Selected Cell
Cell:
Value:
REF
log2
log2N
AVG_FC_Corrected
SD_FC_Corrected
FC_NZ
perturbations
TFs
ManualValidationSimulations
ManualCombMutSim
Automated_SS_simulations_mu
Automated_SS_simulations_sigma
SS_simulation_results (2)
SS_simulation_results
Genes
Experiment ID mapping
Sheet2
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
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
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83
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90
91
92
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100
| Ref used for model | 3 | 3 | 3 | ||||||||||||||||||||||
| 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 |
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100
| Batch? | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 7 | 7 | 7 | 7 | 7 | 7 | ||||||||||||||
| 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 48 | 48 | 48 | 96 | 96 | 96 | 6 | 6 | 6 | 24 | 24 | 24 | 48 | 48 | 48 | 96 | 96 | 96 | 6 | 6 | 6 | 24 | 24 | 24 | 1 | 2 | 3 | 4 | 5 | 1 | 2 | 3 | 4 | 5 | 1 | 2 | 3 | 4 | 5 | 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 | 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 | 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 | 2 | 3 | 1 | 2 | 3 | 1 | 2 | 3 | 1 | 2 | 3 | 1 | 2 | 3 | 1 | 2 | 3 | 1 | 2 | 3 | 1 | 2 | 3 | 1 | 2 | 3 | 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 | 2 | 3 | 1 | 2 | 3 | 1 | 2 | 3 | 1 | 2 | 3 | 1 | 2 | 3 | 1 | 2 | 3 | 1 | 2 | 3 | 1 | 2 | 3 | 1 | 2 | 3 | 1 | 2 | 3 | 1 | 2 | 3 | 1 | 2 | 3 | 1 | 2 | 3 | 1 | 2 | 3 | 1 | 2 | 3 | 1 | 2 | 3 | 1 | 3 | 2 | 1 | 3 | 2 | 2 | 1 | 3 | 1 | 2 | 3 | 2 | 1 | 3 | 2 | 1 | 3 | 2 | 4 | 3 | 1 | 2 | 3 | 3 | 2 | 1 | 1 | 2 | 3 | 3 | 1 | 2 | 1 | 2 | 3 | 1 | 2 | 2 | 3 | 1 | 3 | 2 | 1 | 1 | 3 | 2 | 4 | 1 | 3 | 3 | 1 | 2 | 3 | 2 | 1 | 2 | 3 | 1 | 3 | 1 | 2 | 2 | 1 | 3 | 1 | 2 | 3 | 1 | 3 | 2 | 3 | 2 | 1 | 3 | 1 | 2 | 3 | 2 | 1 | 3 | 1 | 2 | 2 | 1 | 2 | 1 | 3 | |||||||||||||||
| normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_mutation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_perturbation | normal_timecourse | normal_timecourse | normal_timecourse | normal_timecourse | normal_timecourse | normal_timecourse | normal_timecourse | normal_timecourse | normal_timecourse | normal_timecourse | normal_timecourse | normal_timecourse | normal_timecourse | normal_timecourse | normal_timecourse | normal_timecourse | normal_timecourse | normal_timecourse | normal_timecourse | normal_timecourse | normal_timecourse | normal_timecourse | normal_timecourse | normal_timecourse | 24h_1 | 24h_2 | 24h_3 | 24h_4 | 24h_5 | 48h_1 | 48h_2 | 48h_3 | 48h_4 | 48h_5 | 6h_1 | 6h_2 | 6h_3 | 6h_4 | 6h_5 | MPN634 | MPN634 | MPN634 | MPN244 | MPN244 | MPN244 | MPN033 | MPN033 | MPN033 | MPN303 | MPN303 | MPN487 | MPN487 | MPN487 | MPN250 | MPN250 | MPN250 | MPN255 | MPN255 | MPN255 | MPN566 | MPN566 | MPN566 | MPN576 | MPN576 | MPN576 | MPN674 | MPN674 | MPN674 | MPN473 | MPN473 | MPN473 | MPN615 | MPN615 | MPN615 | MPN475 | MPN475 | MPN475 | MPN194 | MPN194 | MPN194 | MPN547 | MPN547 | MPN547 | MPN673 | MPN673 | MPN673 | MPN608 | MPN608 | MPN608 | MPN051 | MPN051 | MPN051 | MPN076 | MPN076 | MPN076 | MPN566-KO | MPN566-KO | MPN566-KO | N/A | N/A | N/A | N/A | N/A | N/A | WT | WT | WT | WT | WT | WT | WT | WT | WT | N/A | N/A | N/A | mutant | mutant | mutant | mutant | mutant | mutant | perturbation | perturbation | perturbation | perturbation | perturbation | perturbation | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | perturbation | perturbation | perturbation | mutant | mutant | mutant | perturbation | perturbation | perturbation | perturbation | perturbation | perturbation | perturbation | perturbation | perturbation | mutant | mutant | mutant | mutant | mutant | mutant | 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 | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | WT | WT | WT | blank | blank | blank | mutant | mutant | mutant | mutant | mutant | mutant | control | control | control | perturbation | perturbation | perturbation | perturbation | perturbation | perturbation | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | p_mutant | p_mutant | p_mutant | mutant | p_mutant | p_mutant | perturbation | perturbation | perturbation | perturbation | perturbation | perturbation | mutant | mutant | mutant | perturbation | perturbation | perturbation | 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 | TF167 (control) | TF167 (control) | TF167 (control) | TF170 | TF170 | TF170 | TF171 | TF171 | TF171 | TF172 | TF172 | TF172 | TF297 | TF297 | TF297 | TF173 | TF173 | TF173 | TF227 | TF227 | TF227 | TF174 | TF174 | TF174 | TF183 | TF183 | TF183 | TF184 | TF184 | TF184 | Tn397 | Tn397 | Tn397 | Tn420 | Tn420 | Tn420 | Tn674 | Tn674 | Tn674 | CTL | CTL | CTL | CTL | CTL | CTL | Glucose starvation | Glucose starvation | Glucose starvation | Amino acid starvation | Amino acid starvation | Amino acid starvation | Iron limitation | Iron limitation | Iron limitation | Oxidative stress | Oxidative stress | Oxidative stress | Glycerol as C-source | Glycerol as C-source | Glycerol as C-source | unclear_Ade | unclear_Ade | unclear_Ade | unclear_Ade_48h | unclear_Ade_48h | unclear_Ade_48h | unclear_48h | unclear_48h | unclear_48h | CTL | CTL | CTL | B170 | B170 | B170 | B170 | B170 | B170 | M129 | M129 | M129 | M129 | M129 | M129 | M129 | M129 | M129 | M129 | M129 | M129 | B170 | B170 | B170 | B170 | B170 | B170 | 24h_1 | 24h_2 | 24h_3 | 24h_4 | 24h_5 | 48h_1 | 48h_2 | 48h_3 | 48h_4 | 48h_5 | 6h_1 | 6h_2 | 6h_3 | 6h_4 | 6h_5 | TF13 | TF13 | TF13 | TF168 | TF168 | TF168 | TF169 | TF169 | TF169 | TF173 | TF173 | TF175 | TF175 | TF175 | TF178 | TF178 | TF178 | TF179 | TF179 | TF179 | TF181 | TF181 | TF181 | TF182 | TF182 | TF182 | TF187 | TF187 | TF187 | TF196 | TF196 | TF196 | TF222' | TF222' | TF222' | TF229' | TF229' | TF229' | TF242 | TF242 | TF242 | TF263 | TF263 | TF263 | TF268 | TF268 | TF268 | TF418 | TF418 | TF418 | Tn051 | Tn051 | Tn051 | Tn076 | Tn076 | Tn076 | Tn566 | Tn566 | Tn566 | Tn674 | Tn674 | Tn674 | TnGnt,TnPuro | TnGnt,TnPuro | TnGnt,TnPuro | WT1 | WT1 | WT1 | WT2 | WT2 | WT2 | WT3 | WT3 | WT3 | dldh,NoxE | dldh,NoxE | dldh,NoxE | 190_ | 190_ | 190_ | 207:207 | 207:207 | 207:207 | AA | AA | AA | Cm | Cm | Cm | D132 | D132 | D132 | D207 | D207 | D207 | DP32 | DP32 | DP32 | Fe | Fe | Fe | G37 | G37 | G37 | Gent-Cm | Gent-Cm | Gent-Cm | Glu | Glu | Glu | Gly | Gly | Gly | KO51 | KO51 | KO51 | NS3A | NS3A | NS3A | Ox | Ox | Ox | R131T | R131T | R131T | TC | TC | TC | TF167 | TF167 | TF167 | TF170 | TF170 | TF170 | TF171 | TF171 | TF171 | TF172 | TF172 | TF172 | TF173 | TF173 | TF173 | TF174 | TF174 | TF174 | TF183 | TF183 | TF184 | TF184 | TF184 | TF213 | TF213 | TF213 | TF227 | TF227 | TF227 | TF27 | TF27 | TF27 | TF297 | TF297 | TF297 | TF414 | TF414 | TF414 | TF462 | TF462 | TF462 | TF463 | TF463 | TF463 | TF464 | TF464 | TF464 | TF465 | TF465 | TF465 | Tn159 | Tn159 | Tn159 | Tn162 | Tn162 | Tn162 | Tn397 | Tn397 | Tn397 | Tn420 | Tn420 | Tn420 | Tn506 | Tn506 | Tn506 | Tn674 | Tn674 | Tn674 | WT | WT | WT | blank | blank | blank | rrn | rrn | rrn | ssp_delta | ssp_delta | ssp_delta | Blank | Blank | Blank | Glucose_starv | Glucose_starv | Glucose_starv | Gly_ctrl | Gly_ctrl | Gly_ctrl | TF167 | TF167 | TF167 | TF170 | TF170 | TF170 | TF171 | TF171 | TF171 | TF173 | TF173 | TF173 | TF174 | TF174 | TF174 | TF178 | TF178 | TF178 | TF184 | TF184 | TF184 | TF187 | TF187 | TF187 | TF23 | TF23 | TF23 | TF292 | TF292 | TF413 | TF413 | TF413 | TF414 | TF414 | TF414 | TF462 | TF462 | TF462 | TF463 | TF463 | TF463 | TF464 | TF464 | TF464 | TF465 | TF465 | TF465 | TF482 | TF482 | TF482 | TF483 | TF483 | TF483 | Tn051 | Tn051 | Tn051 | Tn051_Gly | Tn051_Gly | Tn051_Gly | Tn114 | Tn114 | Tn114 | Tn420 | Tn420 | Tn420 | Tn420_Gly | Tn420_Gly | Tn420_Gly | Tn674 | Tn674 | Tn674 | WT | WT | WT | WT_noGluc | WT_noGluc | water | water | water |
| 59.015 | Acetate [-H(+)] | cpd:C00033 | -5.26293020969349 | -5.326388413955352 | -5.119289701341525 | -5.199758769593311 | -5.87237532866408 | -5.578744276804321 | -5.162784536515203 | -4.739980042207905 | -5.462156401056322 | -5.067166868707778 | -5.509819597837495 | -5.344767670518432 | -5.934895067574727 | -4.950290755441052 | -5.902176250103909 | -5.823137033314632 | -5.015317634411605 | -5.405605731511592 | -5.644262895708718 | -5.04422264515628 | -5.38787510221503 | -5.55108368565907 | -5.4086188829743485 | -5.35320751455183 | -5.319541677324035 | -5.952929895073408 | -5.098949481270225 | -5.654722373423258 | -5.127599920565491 | -5.121928968074319 | -5.0546038005686995 | -4.6872519241392325 | -4.886765731710297 | -4.717292577540219 | -5.079489171354701 | -4.805090245915702 | -5.862656436155877 | -5.385904649484024 | -5.63058251788882 | -4.940545233887625 | -5.1554997885760985 | -5.109048967574047 | -5.0756130862368085 | -4.86630599671647 | -5.062951580028431 | -6.813076649430527 | -6.917638606940998 | -7.136216853108318 | -4.936065886003812 | -4.981762094041333 | -4.967671779474173 | -5.125725037414174 | -5.1205567595746535 | -5.568938769347381 | -4.769657812939893 | -5.236766344994922 | -5.063931846700418 | -5.064650986483106 | -4.953998530086064 | -4.889044766517995 | -4.94343084787153 | -4.825312844033627 | -4.6172500874369335 | -6.574705755903372 | -6.114823602523109 | -6.225575045783971 | -6.363864920758865 | -6.062897359271724 | -6.450895452655291 | -5.9354288241338535 | -6.0153139665631805 | -6.039500124337193 | -6.9054477300716375 | -6.71321750644202 | -6.391581663309538 | -7.279547459800184 | -6.750540400726378 | -7.110449403492906 | -6.794001691896377 | -6.814446986134229 | -6.800707353507935 | -6.203279198823189 | -6.440114169457116 | -6.389860503377915 | -7.258953066902992 | -6.899961254080844 | -6.633289563327977 | -7.003294826866896 | -7.03412316785623 | -7.355843989377885 | -6.446228085829849 | -6.295371866669519 | -6.191330407671747 | -6.636554511656522 | -6.659380955655866 | -6.294511543981581 | -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 | -2.65359032878454 | -2.868573102705643 | -2.5621780386424424 | -3.0935935397407808 | -3.1362850439532526 | -2.9283377836154254 | -2.4769120086548266 | -3.4001492393353585 | -3.597803259605916 | -3.1603350202996094 | -3.160666040110134 | -2.501729610269511 | -3.3495349888840242 | -3.5969731061473165 | -3.3087729352292468 | -4.317156236527705 | -3.4945890460668503 | -3.9988398800882696 | -4.283382280023368 | -4.472387975090989 | -2.9053581169665192 | -3.0878685337833995 | -3.7089000300954367 | -3.2535641393936263 | -4.088013902078654 | -3.2864911386810123 | -3.386573630407104 | -3.0138050202364446 | -3.3568360462457263 | -3.304878785793203 | -3.7317702577354264 | -3.645710131768568 | -3.3476774009915777 | -4.473015291954943 | -3.80595720616907 | -3.0488145897617422 | -4.317024997585425 | -4.269594963265374 | -3.5800040722469095 | -4.149480895335854 | -4.172495705818326 | -3.7372365628913244 | -3.629472107504558 | -3.869661101949221 | -3.294882611938385 | -3.246151652922337 | -3.7674529402921397 | -2.6226553120246465 | -3.222295343008795 | -2.8844301405188104 | -3.3585120269991506 | -3.559171988316404 | -2.9375035522962802 | -1.8690314150561216 | -4.608034882132207 | -5.107357883975392 | -3.1494887012778947 | -3.775398182862188 | -3.6867194803922048 | -3.1117538330288075 | -3.3211340737854287 | -3.9432795494703563 | -3.735165251055124 | -3.444301754909483 | -3.5194336329492617 | -2.8488881428629713 | -3.0865055039644047 | -2.656831965683011 | -3.40574658491941 | -3.1362687008130075 | -3.382066535266274 | -2.8675573611014675 | -2.7400210848022675 | -3.314828874839896 | -3.004184359229699 | -3.8941411512683444 | -3.4587500070644372 | -7.70330785377665 | -6.202314085508302 | -7.247923674400977 | -6.072130870694696 | -6.226811052102565 | -6.768125283399727 | -4.0340685941191 | -3.834098169842561 | -4.217077537684018 | -4.04426169419543 | -3.568659478550033 | -3.5695513979164386 | -6.038677571219686 | -6.035429454248405 | -5.09950059328635 | -6.366814984925573 | -6.657915204692176 | -5.932936696843959 | -8.087524221206655 | -8.802081286488653 | -7.229284525709092 | -4.050025126221874 | -3.9485148167216346 | -4.375499529384439 | -6.29998666357831 | -5.720789318487951 | -5.801866127502491 | -4.361856067237374 | -3.938653853535244 | -4.02709944844118 | -4.289631712064485 | -4.566948987697572 | -4.496942566883617 | -3.751526861929723 | -3.990283182490505 | -3.7514192427428794 | -4.341333763321579 | -4.017139943555076 | -4.324837361691076 | -6.054371369739716 | -5.319308797479432 | -5.348718971754481 | -3.9066473415351375 | -3.776410511198023 | -3.581438460157957 | -6.830302581314909 | -5.90387435681161 | -6.014326106960948 | -3.7996677294443684 | -4.166510130250077 | -3.6152652128447538 | -3.9129295445917855 | -3.7317714169734244 | -3.5334039023364006 | -3.437198619495883 | -3.431289720436405 | -3.597203497027018 | -3.695164881214147 | -3.4468013624825677 | -3.401819647265412 | -3.6136963134123463 | -3.71543288520025 | -3.5905288770531825 | -3.6138789785671395 | -3.8363868556295424 | -3.9285403141707196 | -4.1022001522612985 | -3.8801587030943656 | -3.9041974526521237 | -3.9697584806774677 | -3.551308628975576 | -3.724445882512741 | -3.880959450569656 | -3.905513888921478 | -3.708468683089935 | -3.4203057288849656 | -3.3384089935160803 | -3.613403713409541 | -4.127441265966948 | -3.607640506819503 | -3.617605783375237 | -3.618095469238772 | -3.5708412298813843 | -3.055353577329024 | -3.4180570260725385 | -3.374057404432714 | -4.091826557455636 | -4.164794244922101 | -3.559971780509523 | -3.987807577390307 | -3.695935339436468 | -4.173195490203211 | -4.071941141201016 | -4.080266781925808 | -3.894538720419111 | -3.8335064172153532 | -3.62022378378586 | -3.6866080879068135 | -3.710153853367819 | -3.715918366994709 | -3.8106969436103753 | -3.877562829218675 | -3.9758199964462766 | -3.6670653056178018 | -3.5403605329393364 | -3.480108812831077 | -3.909608265056138 | -3.789011788599278 | -3.9580701382998873 | -3.8631867849255164 | -3.743615407928837 | -3.1891552011471958 | -3.477237534875134 | -3.5336243311516307 | -3.182208014745825 | -2.969802847330422 | -4.137314234031059 | -4.190825543691784 | -4.143247463005094 | -3.6011181186919266 | -3.6144431505698256 | -3.817399352429603 | -3.1563588997323437 | -3.252719013129404 | -3.8044091651254837 | -4.003142332755665 | -4.482523828195586 | -4.138259839699185 | -4.19423025886172 | -3.6416750823381685 | -3.813290074595679 | -2.978197896340587 | -3.3624717124753323 | -2.975021016197725 | -4.329183843986346 | -4.934412743461865 | -5.051938972948225 | 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| 74.026 | Glycine [-H(+)] | cpd:C00037 | -9.33415955161765 | -9.21607941404713 | -9.296376807482513 | -8.96226217265126 | -8.8483759856402 | -9.211671769550518 | -9.06460858069684 | -9.203705199804606 | -8.939599431500318 | -7.845962475730539 | -9.139813466388041 | -9.017341278755131 | -7.479082520669245 | -9.039809098964627 | -9.21492073822492 | -9.187394364998923 | -9.47703574704326 | -9.081713231786626 | -8.819567968481534 | -8.851148881850994 | -9.184118807993148 | -9.648732424874147 | -9.51762026934143 | -9.189803327879739 | -9.308560582315993 | -8.333984903170599 | -9.299467737489252 | -8.979811049907958 | -8.804154690825438 | -9.159156610519691 | -9.068405309348066 | -9.087048288542748 | -9.372114201580612 | -9.665478503237136 | -8.814485049016497 | -8.64410457439787 | -9.096618917367737 | -9.302775228267372 | -9.028228213457206 | -8.849350167184744 | -8.861143244878807 | -9.276151209372745 | -8.925762971278973 | -8.951475587721482 | -9.278018282594603 | -8.617268254373926 | 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| 87.007 | Pyruvate [-H(+)] | cpd:C00022 | -6.019724789800269 | -6.313709810753695 | -5.982345105274716 | -6.073883976104966 | -6.518877993164105 | -6.289698355118951 | -6.143958103531826 | -5.583272715911496 | -6.349766506291571 | -5.918371778386764 | -5.99322799551077 | -6.186303115695923 | -6.433200186867548 | -5.526840664234803 | -6.444476865975504 | -6.659186417686014 | -5.820436375408324 | -6.28184169157347 | -6.277593527815443 | -6.155319990042815 | -5.986641355105958 | -6.089248659587148 | -5.58912435869277 | -6.158396222142357 | -6.14857161034736 | -6.401002882859564 | -5.857059685179026 | -6.280650833900543 | -5.680320977681753 | -6.0751584529946046 | -6.083612907841394 | -5.421334989923819 | -5.791659906735246 | -5.5370791679689555 | -5.697398931943678 | -5.64987317330373 | -6.62314748412324 | -5.895819829697391 | -6.139925791215175 | -5.714529844720398 | -5.65472735295243 | -5.41242624442215 | -5.846798293120202 | -5.828450203723117 | -5.50408598396489 | -6.6785287306342385 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| 88.041 | L-Alanine [-H(+)] | cpd:C00041 | -5.175819415300613 | -5.138915413663141 | -4.982798380735198 | -5.008346018462637 | -5.326347667383055 | -5.2299375248027005 | -4.925015295553961 | -4.92110973354958 | -5.029226295745619 | -5.0065345871586935 | -5.3246934743390995 | -5.153462751507931 | -5.615490407334523 | -5.046605694467837 | -5.587167034177098 | -5.2174607350182 | -5.067131630622455 | -4.88492251544765 | -5.251825044968897 | -4.960061473107345 | -4.969718009821156 | -4.930239649937744 | -4.870714824412259 | -4.85499218456828 | -4.859468577751387 | -5.349330490404982 | -4.966824875967007 | -5.182981681663854 | -4.734117743893356 | -4.826035640599219 | -4.993025129432833 | -4.921091795884316 | -4.884762948881572 | -4.975839516337154 | -4.964077203354307 | -4.915176843475034 | -5.445704674125819 | -4.965668553773474 | -5.172046296528151 | -5.133840717906768 | -5.181063737496921 | -5.0832689678436775 | -5.042184213477261 | -4.927786101730264 | -5.08802832491305 | 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-4.874580190062567 | -4.8576614166488765 | -4.900647694062171 | -4.904796205317423 | -4.891583094691429 | -5.041154179313014 | -4.9656511896709 | -4.923604986675252 | -4.946750101797966 | -4.712821988728798 | -4.834185995782641 | -4.781472109600873 | -4.788877151005932 | -4.919122584909436 | -4.804400622950271 | -5.021582866177429 | -4.874506997399293 | -4.895396850519404 | -4.935591993904967 | -4.879067789714736 | -4.864106020923833 | -4.8090974854113835 | -4.74621476642291 | -4.7429827420556006 | -4.943240284639569 | -4.962474441464653 | -5.022386593998319 | -4.967224693704466 | -4.901054061680428 | -4.7949652219716805 | -4.59726759882715 | -4.662585834583364 | -4.738872788522125 | -4.852836696703193 | -4.940446861811133 | -4.718177191753773 | -4.833142514972054 | -4.70445345936099 | -4.839187519760105 | -4.781306910235076 | -5.002127026340229 | -4.840798982856091 | -4.8909653690166985 | -5.0046523481432965 | -5.0487770815265485 | -4.792504383513196 | -4.8478497829079705 | 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| -4.801001247819079 | -4.767809452632591 | -4.757522888925978 | -4.885573558110516 | -4.813482083645225 | -4.881688494558451 | -4.971037113137393 | -4.712315308130885 | -4.823789295197238 | -4.854586218815717 | -4.876247785653792 | -4.936666255363944 | -4.837591218468101 | -4.76423091757034 | -4.876632406062401 | -4.882774520058596 | -4.86820141494714 | -4.99129014527475 | -4.578620412778878 | -4.925827832558367 | -4.8713988980942045 | -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 | -4.71562022813465 | -4.595793852632621 | -4.581435102285373 | -4.61715540847377 | -4.930070191454561 | -4.862936771488207 | -4.650315415609798 | -4.917808433344218 | -4.667024284450229 | -4.7999664354108855 | -4.82169411735558 | -4.549357082799675 | -5.072909464372073 | -4.5513781023664786 | -5.1724594503887324 | -5.2254808325637505 | -5.127294712299376 | -4.860726922753594 | -4.706964112345951 | -4.546194491875217 | -4.479852790895611 | -4.71653135207956 | -4.748621823723978 | -4.71631502740048 | -4.770211596733441 | -5.0061718366614905 | -4.663687513292056 | -4.600422920373513 | -4.358304964847354 | -4.584941925348911 | -4.445449137276426 | -4.669312165072566 | -4.414616947999315 | -4.768756811211545 | -4.695506306300397 | -4.68764957285353 | -5.37369510899146 | -4.989306876077158 | -5.231512083159075 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| -3.318654699702021 | -2.6455615076420775 | -3.494857940213551 | -3.243102479033345 | -3.2769779666016055 | -3.065683606118041 | -2.951327148023275 | -3.331725484549083 | -3.5245128317754872 | -3.2874214572007405 | -3.1408073592070145 | -2.6698915133226726 | -3.146093212540208 | -3.0849379670652923 | -3.059341095449548 | -3.592208745776591 | -2.636275620634372 | -3.1816653929668175 | -3.6001757767890417 | -3.604284044119003 | -3.9079062373124605 | -3.31656175476042 | -3.1932013501478473 | -3.438007521310823 | -3.334178041099799 | -3.4567040638815665 | -3.6072103862481493 | -1.593437104427068 | -3.5061495560193334 | -2.6240005464371077 | -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 | -10.603246694071675 | -10.805353194340206 | -10.717972406147192 | -10.94958231300411 | -10.440736159262782 | -10.888940296062337 | -11.116389301789873 | -10.760876032931451 | -11.00539202428683 | -10.721665250750569 | -10.713510749026744 | -10.945992978536998 | -10.606990462471714 | -10.24063593104236 | -10.665476346321054 | -11.168032381213923 | -11.160530314056317 | -11.391695360119865 | -10.88730263869296 | -10.90912495044451 | -10.393552961609359 | -10.719606532012893 | -10.88095077448336 | -10.434614529584364 | -11.096562990295915 | -10.712005685397191 | -10.299017580392755 | -11.24591912842353 | -10.89168696785072 | -10.519544602601762 | -10.995217853063293 | -10.974764847134928 | -10.761469622478991 | -10.646798094876893 | -10.866414191609055 | -10.443294032299043 | -10.991896797432632 | -11.04868621062971 | -10.837931649848127 | -11.751101054082602 | -11.247049461915353 | -11.692188049824612 | -11.038238647243201 | -11.122012843562576 | 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| 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -8.296118408468015 | -9.288204654442657 | -8.38206440673286 | -8.90327822270914 | -9.502159565994356 | -9.121957995159848 | -8.944676015528344 | -8.819040244095858 | -9.494447948926979 | -9.611634136816129 | -9.1133562847066 | -9.136065307379113 | -9.841673567364532 | -9.795011121383556 | -9.640251995487889 | -10.285135164549294 | -9.542436782827975 | -10.21325044439146 | -10.460274045823166 | -10.308446897062751 | -9.445812566961084 | -8.936377328186259 | -9.68871330449733 | -9.028858006874156 | 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| -7.433014697676785 | -7.47545386624499 | -7.111273182013763 | -9.465996457183113 | -8.779215374904652 | -8.924032133451679 | -7.460833695281611 | -7.74208129254055 | -7.324891410860008 | -8.32242298191291 | -7.996926650688594 | -7.924024380644442 | -7.733219208114595 | -7.8267269814841365 | -7.984157729862515 | -7.679127351844785 | -7.845016226184878 | -7.6246066782857005 | -7.979896723308531 | -7.935159779911524 | -7.9417253428264 | -7.700861828886521 | -7.714196130024073 | -7.739010325738381 | -7.937372655512814 | -7.832410092011346 | -7.765666471603452 | -7.738873417868087 | -7.279823329490947 | -7.907995961742844 | -8.059042240842247 | -7.797565241545157 | -7.590174256516913 | -7.2072578643960075 | -7.545708494472649 | -7.913511003877777 | -8.049569294028899 | -7.714359688872529 | -7.4649414819027555 | -7.640464402943208 | -7.37180802322051 | -7.118652402435901 | -7.662398536877909 | -7.344542523657072 | -7.899848498104983 | -7.96800346568103 | -7.357002041241604 | -7.914131115045 | -7.546136440411208 | -8.063711562006356 | -7.800385909349509 | -7.742151979339455 | -7.731514370403964 | -7.774895680325456 | -7.631301018186194 | -7.703337737784285 | -7.635284514741822 | -7.500425847564051 | -7.640216407559881 | -7.586353105020861 | -7.51104377482823 | -6.956900452302022 | -6.947561491247326 | -6.639162673759584 | -7.4296583495939705 | -7.53214509752935 | -7.95971126599333 | -7.641979877689916 | -7.323872706049759 | -6.771086934290728 | -7.221453951108814 | -6.815016537759965 | -6.526525914024682 | -5.1720150723393825 | -7.778123839563842 | -7.8002536564075 | -7.707724480403129 | -8.282215526562714 | -8.239679140200359 | -8.23706153613242 | -6.344607702528514 | -6.5232081072268935 | -7.4135561154435345 | -7.514429955407161 | -8.123410984478898 | -7.778611011794714 | -7.721241966624557 | -7.442215142573897 | -7.374048747937927 | -3.4157382078799654 | -4.071267596963496 | -2.9864924612105197 | -5.704310707371086 | -6.051364463267587 | 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-3.030582571654095 | -3.309959317676117 | -4.418070099406891 | -4.17840118621015 | -4.229047866298762 | -4.129600926191204 | -2.9897160919242847 | -3.3745137708466353 | -3.564161934551798 | -2.905353102964278 | -3.8613624705225105 | -4.626354323054007 | -3.2915747252269796 | -3.881596656596651 | -4.105056006171763 | -3.989365742825434 | -4.963045794523282 | -2.950387801840906 | -2.7060261354586896 | -3.242273814711715 | -3.006089465623941 | -4.131812867058621 | -4.130444620605906 | -3.475579912867233 | -3.2561933239715737 | -3.1575026605902736 | -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 | 1.8035320672527337 | 1.6287714787109189 | 1.838332016671973 | 1.610099936181397 | 1.4219623346307588 | 1.6767762738419223 | 1.8986410115965295 | 2.2743683597706403 | 1.4943644224343255 | 2.0023840034081575 | 1.968316224801701 | 1.551040000051854 | 1.2877515534860215 | 2.089495369447763 | 1.437236160445201 | 1.2720975454292207 | 2.018966684196584 | 1.594490270119974 | 1.359323427512441 | 1.7164336309843253 | 1.6271508667227732 | 1.523381495797451 | 1.9726737626194568 | 1.5279632928790823 | 1.6756846313812923 | 1.4004829231464604 | 1.729426631113958 | 1.4150193282754235 | 1.9185934844416686 | 1.6178247214970058 | 1.7702880666569993 | 2.1533340905290284 | 1.9298956746573148 | 2.2463072900061136 | 1.9803729881234973 | 2.010486760319403 | 1.1532801863224775 | 1.8100191324957142 | 1.4832195549070895 | 2.28113764988668 | 2.3361864786840982 | 2.0519753215398264 | 2.182282470404576 | 2.123977805630625 | 2.1165734971328662 | 0.5544902554446302 | 0.7220777107482194 | 0.8560566885660331 | 1.7963202335630832 | 2.0350362746672506 | 1.9093404290526585 | 2.001274290772745 | 2.023151493492476 | 1.7224447170880113 | 2.120142293917976 | 1.6610726255621096 | 1.9232124386802043 | 1.795115518209943 | 1.9353189990535737 | 2.0169762809870084 | 2.1159854669402303 | 2.034104457714652 | 2.247275738899041 | 1.0835013784163634 | 0.8630010064635962 | 0.9962456247863143 | 0.4959940492551162 | 0.7449831035805076 | 0.5885476486339056 | 0.8952030417243633 | 0.7708461490739923 | 1.1384338959355642 | 0.6040910053779748 | 0.7840574450301809 | 0.5453440685301406 | 0.895466094994485 | 0.647286679758681 | 0.676592578776901 | 0.48629834474664807 | 0.13537818443960833 | 0.25764003423552995 | 0.34901904330105965 | 0.3864289818432942 | 0.8930917994635362 | 0.9316516934801388 | 0.5196448341060639 | 0.5711038202729597 | 0.8286143853499162 | 1.4112844503031 | 0.6605122208900841 | 0.6263471729236681 | 0.8600194046823342 | 0.44097320343991275 | 0.4229869685332328 | 0.26425724161123787 | 0.0649303563039361 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -5.4492074449597165 | -5.360181717111784 | -5.510333801349003 | -5.172669375291236 | -5.21372977803508 | -5.310676504176833 | -2.8551672917651505 | -2.770826042603459 | -2.8030176676449066 | -3.20983077030789 | -3.194457814622141 | -3.2567449017444523 | -5.3561768052150125 | -5.249837912014506 | -4.987656464342344 | -5.401190557655497 | -5.387574775548953 | -5.273248048826318 | -5.463540979753438 | -5.369831597849978 | -5.3979136309341325 | -2.871170828398796 | -2.8509726706285883 | -2.878736886789859 | -5.40459922865655 | -5.253918601627216 | -5.237715258318751 | 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-2.8660288264666467 | -2.9192378311057383 | -2.835978780258291 | -2.8850710455043123 | -2.8130618633155016 | -2.891770588025997 | -2.8485188406127326 | -2.8391854732704513 | -2.9089785203405465 | -2.774399484790206 | -2.3625306775441994 | -2.63938369814289 | -2.592714151680368 | -3.0141853628805992 | -3.0251022382640835 | -2.866180173599135 | -2.9612821155562132 | -2.8628605727634064 | -2.976991405880148 | -2.927119506316609 | -2.9048991333478122 | -2.8725624500338114 | -2.9276745415929417 | -2.8887608566026226 | -2.9269749737875146 | -2.8729020480219694 | -2.894510705692024 | -2.9257991467827265 | -3.1938336651707044 | -3.1332750644905225 | -3.1082196894263525 | -3.0437208194909804 | -2.9939613925564528 | -3.0661136604164785 | -2.7308252173500214 | -2.9056601117864163 | -2.845165892485361 | -2.714672813604455 | -2.60475905418958 | -2.7831537547172305 | -2.979182347668853 | -2.980299007683919 | -2.883735436879476 | -2.856726322358016 | -2.890401692142027 | -2.8274071777971197 | -2.926294528553977 | -2.853276244551115 | -2.849809985342122 | -3.1450675503612677 | -3.123948293369073 | -3.2258320470314796 | -3.2291651429234727 | -3.248435154410363 | -3.247083695009952 | -3.1824633595576604 | -3.199413263214926 | -3.214102844955764 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | -6.737939556468444 | -6.741997928905288 | -6.799176320514736 | -6.897826319276812 | -6.729218820704235 | -6.634611430071176 | -6.718077992298966 | -6.96754330564841 | -6.744470544621227 | -6.606629758838808 | -6.757978739865917 | -6.703560869458869 | -6.674828156177802 | -6.898235882643974 | -6.57241258634642 | -6.709304142343097 | -6.890639902510316 | -6.552734869204591 | -6.689218562642367 | -6.7145243613461565 | -6.624584840657922 | -6.861446514602783 | -7.056602470133655 | -6.874766372690593 | -6.790180063082314 | -6.4346528499951745 | -6.894974565836573 | -6.823147580782561 | -6.912771855884739 | -6.891691607946489 | -6.808209832774287 | -7.094041197381548 | -6.9396871139139416 | -7.141884636384046 | -6.96733754690553 | -7.1417539288801875 | -6.914879983640906 | -6.937939398222453 | -6.753740394243756 | -6.88727658753213 | -7.084146399674986 | -6.728660761588605 | -6.66926088677182 | -6.8037264366068815 | -6.804331392069801 | 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| 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | -11.027429013093785 | -11.20161866577702 | -11.137230496331208 | -10.91939520221432 | -10.605120466311371 | -10.610930421081113 | -10.88604981157187 | -10.6374564380377 | -10.7327704453224 | -10.697153868346605 | -10.663583435079174 | -10.952107913812762 | -10.919998713218183 | -10.651049803423062 | -10.935095197070334 | -10.78871467559555 | -10.543166990133063 | -10.9390317032602 | -10.984424627435466 | -10.62206578928516 | -10.742083581102841 | -10.897698312919816 | -10.613345588597227 | -10.67772797793678 | -10.546776533042523 | -10.73506866523097 | -10.351144240327793 | -10.786441910270135 | -10.385154865809877 | -10.442054757033759 | -11.033861593575617 | -10.651780810095708 | -10.587074091524277 | -10.942463435870728 | -10.751245665990481 | -10.530412675404293 | -10.981471593794469 | -10.544748630650837 | -10.405766445874068 | -10.59879839796437 | -10.409290806188618 | -10.73352876821223 | -10.6947767768244 | -10.760367408096277 | -10.674432686553617 | -10.24272388454221 | -11.028478188243653 | -10.454885737049679 | -10.85556907981948 | -10.163142415787725 | -10.573682354929234 | -10.529199225577887 | -10.888582583998009 | -10.527261226965816 | -10.593054092156148 | -10.619477660999726 | -10.382479565210435 | -10.500117022668146 | -10.597868422478253 | -11.06475326664271 | -10.637613235190612 | -10.802579170642206 | -10.88559260394817 | -10.66995450779388 | -10.969032106392733 | -10.718430640988851 | -10.57996879836384 | -10.928210252557161 | -10.446676189679296 | -10.960274420134942 | -10.677841022195313 | -10.01609706114382 | -10.744072254811789 | -10.456558237939845 | -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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -9.235216436056133 | -9.139432732742442 | -9.225708932349038 | -8.83865573243877 | -9.02664824033558 | -9.199708720707948 | -7.556413019037467 | -7.710713091831938 | -7.829778889400637 | 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| 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -11.051273766602362 | -10.910924572472494 | -10.999847894670179 | -10.572680387183356 | -10.6252992399426 | -10.87778675644758 | 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| 111.02 | Uracil [-H(+)] | cpd:C00106 | -6.4845500527416124 | -6.554322285335068 | -6.566962164573883 | -6.587109155451398 | -6.719342915761733 | -6.550215459091007 | -6.418739766954843 | -6.367688680126898 | -6.649703248528535 | -6.511384999973089 | -6.531042090874415 | -6.676027719976344 | -6.66744905775573 | -6.4160335488229405 | -6.557298404905517 | -6.660307036816928 | -6.339639653214618 | -6.637036325556024 | -6.601714047595511 | -6.524923392168595 | -6.72837766546775 | -6.462899216169214 | -6.3424278617820935 | -6.692618356581617 | -6.646139366610385 | -6.531950711559264 | -6.4071276366998875 | -6.621078517818254 | -6.5310583783753415 | -6.6492470465222375 | -6.434720921186163 | -6.374959035128421 | -6.280533023954724 | -6.1201157280417995 | -6.348149637370329 | -6.434812815749532 | -6.876820411224677 | -6.481830448228588 | -6.768630178566814 | -6.616854230938984 | -6.501469212282104 | -6.5397790950366375 | -6.378121054257469 | -6.628587991669403 | -6.612584041064398 | 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| 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | -8.37181504136424 | -8.840768295425171 | -8.08716304783518 | -7.4819240430522695 | -7.455999863349368 | -7.428610600382238 | -7.8122611866511145 | -7.718821752501323 | -7.809150813734758 | -8.31547278799785 | -8.005690431642968 | -7.847962826317963 | -7.836443225832897 | -7.503479810275321 | -7.67579901595067 | -7.972716164229927 | -7.963779100847434 | -8.249044055012204 | -7.919908157342367 | -7.507686791959745 | -7.855349581932209 | -8.166143586626937 | -7.60692149404346 | -7.365605351730756 | -7.87228658127721 | -7.778435389650792 | -7.4037421688263505 | -7.9333268389567815 | -7.4512892839447975 | -7.3100222997088125 | -7.810234758046068 | -7.686365580635957 | -7.845906163572407 | -7.96167049630525 | -7.660673880384104 | -8.682483005138094 | -7.972762932148518 | -7.4480394956947125 | -7.529542448100921 | -7.800789784097247 | -7.24751879918348 | -7.711641085437759 | -7.675101657650243 | -7.759146690014475 | -7.908769387549684 | -7.183134557631403 | -7.953522875484377 | -7.489755396068042 | -7.4097656978668365 | -7.10978797470073 | -7.676005251360065 | -7.654153394549689 | -8.008804081919001 | -8.63404662767275 | -7.4702131115373955 | -7.176804722735607 | -7.306149371278676 | -7.238441789238676 | -7.506144963287027 | -8.035109571565414 | -7.08597509974906 | -7.512582047942684 | -7.726272982612276 | -7.75527706765765 | -8.240698398555216 | -7.415177069683701 | -7.473482962101581 | -7.724922904673133 | -8.040940121996545 | -8.011943648237835 | -7.943817437341106 | -6.221762162686814 | -7.855530098042083 | -6.811182442299709 | -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 | -4.313041746681179 | -4.276974217479754 | -3.975260896278811 | -3.868842770551907 | -4.425451852316047 | -4.071892810053088 | -3.8362104409902416 | -3.4494037544010707 | -3.9880962065534287 | -3.691837534413319 | -4.240370360023221 | -4.410122863635343 | -4.862073494948353 | -4.202304334311537 | -4.692161324295033 | -3.469810447642629 | -3.373680744753486 | -3.388869589823306 | -4.1481168758203655 | -3.685887758107466 | -3.674958103881323 | -3.533712090156565 | -3.498044862657971 | -3.482061299521958 | -3.235585466170703 | -4.126669906177561 | -3.698410334180154 | -3.9640391610990653 | -3.2807620365215313 | -3.421756695636981 | -4.127119514619263 | -3.9651827802930493 | -4.009799443963894 | -4.556049641620555 | -4.613155437162558 | -4.532913559119386 | -4.216772042769113 | -3.824879730254642 | -3.7662593492786285 | -3.7125976941046224 | -3.8440610513095166 | -3.839727604311593 | -4.128549472864166 | -3.5033344289091537 | -3.7110708161990025 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| 116.072 | L-Valine [-H(+)] | cpd:C00183 | -3.6035296971781268 | -3.620596919335954 | -3.479329172437437 | -3.6109881389595024 | -3.8683535250213676 | -3.6885368890492236 | -3.6222956846489707 | -3.5336517191973202 | -3.6339310377944494 | -3.5442310747139163 | -3.7424268762208657 | -3.6906702735007637 | -3.7427272324091487 | -3.5912570762024325 | -3.6506510944594224 | -3.665659647621464 | -3.616120118769853 | -3.6166649663325834 | -3.7098108352394545 | -3.584168879710883 | -3.6100625284056194 | -3.464560752970072 | -3.4630048384594825 | -3.5598686608297467 | -3.4951671315028 | -3.685500442564601 | -3.5921257281085195 | -3.631181279194559 | -3.514135856799341 | -3.543793100664287 | -3.597680162036086 | -3.508264819703309 | -3.5108414628389757 | -3.5020556519780235 | -3.513585064404247 | -3.467004302075849 | -3.7103144848891043 | -3.5778926641770683 | -3.543229325414968 | -3.769950575952159 | -3.8162421653206335 | -3.7180946374192625 | -3.785184229725077 | -3.7247315193515322 | 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| 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.2973485550976545 | -7.414906739658953 | -7.37055322296721 | -7.891393721657044 | -7.883514104096027 | -7.733154858453513 | -7.3497634969920504 | -8.122790623270898 | -8.004424080852331 | -7.44450683569955 | -7.493991570850407 | -7.284593064997901 | -6.968989569684983 | -7.373160018474106 | -7.404984556352603 | -8.092179212497195 | -7.248556390975273 | -7.618179371734992 | -7.543581577154072 | -7.796220922934409 | -7.551782053633977 | -7.424802747665893 | -7.438252161706871 | -7.342974231380111 | 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| 118.051 | L-Threonine [-H(+)] | cpd:C00188 | -6.707457676150553 | -6.576916160887725 | -6.533200847761642 | -6.518270407429077 | -6.3852986651194374 | -6.530696898966129 | -6.44988582791865 | -6.57825993678751 | -6.463156076401634 | -6.313628144837236 | -6.496422286973906 | -6.406123530428485 | -6.424551353726571 | -6.603231997641114 | -6.25788997593492 | -6.441552439819069 | -6.608499985393182 | -6.334467519313471 | -6.476783190268353 | -6.592434863911359 | -6.422988676107833 | -6.691424472808775 | -6.699348717009492 | -6.50984897097426 | -6.393858219970232 | -6.338183332065986 | -6.556682016187792 | -6.612505203422317 | -6.520103194598739 | -6.495497336257993 | -6.555922000523555 | -6.679661711809635 | -6.632450969610213 | -6.961139938914819 | -6.601049746085955 | -6.731711090295445 | -6.4153247962150814 | -6.700719615350323 | -6.554523739875592 | -6.507412716498412 | -6.647328497895982 | -6.565804871801634 | -6.308496660602259 | -6.445160735127243 | -6.365753564881755 | 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| 122.025 | Nicotinate [-H(+)] | cpd:C00253 | -7.0975838857739575 | -7.149470588480158 | -7.019097135071642 | -7.1116072994146124 | -7.306679451554259 | -7.111903886787988 | -7.034528860775832 | -6.819584958180889 | -7.229517660175172 | -6.9932338731068 | -6.896730475576143 | -7.209745792745565 | -7.195986822268789 | -6.830146742783752 | -7.201626939094687 | -7.4775190648728085 | -6.907021602059091 | -7.3862494363306315 | -7.240674427137664 | -7.2057855349835105 | -7.231428516130789 | -6.954534136920116 | -6.652449503200895 | -7.045853929336312 | -7.1948737455076 | -7.141728111449122 | -6.918628072537454 | -7.1770859733372685 | -7.051908109024065 | -7.234223180887231 | -6.9514998445964515 | -6.7494991786898275 | -6.754922109022998 | -6.4350699930084545 | -6.610409542608245 | -6.568759005022458 | -7.346944463597323 | -6.793038078618962 | -7.018584600295056 | -7.080253895735949 | -6.946776294342614 | -6.997343839238723 | -6.805761355763756 | -6.783868819817982 | -6.725351629131372 | 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| 124.04 | L-Serine [+F(-)] | cpd:C00065 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -6.364118326110227 | -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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 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| 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -8.466137282440675 | -8.467506397321074 | -8.463761991461533 | -8.354630250028944 | -8.437640782068053 | -8.536686062438411 | -6.929716177408342 | -6.811619167167357 | -7.134904288395845 | -7.696795257761961 | -7.399496927549765 | -7.626061201299518 | -8.513803305864009 | -8.533566260184442 | -8.199982697387632 | -8.548196445017687 | -8.462863816204468 | -8.421986236452407 | -8.528175949055298 | -8.46026202312991 | -8.549455452781379 | -7.253757562543214 | -7.374141740560313 | -7.637633273705978 | -8.534651648816984 | -8.51070511344776 | -8.397214859700258 | -7.804701250738227 | -7.5796754877715475 | -7.64969909255761 | -7.724944302604054 | -7.717797912595265 | -7.962464993197673 | -7.640922638223215 | -7.839691242570794 | -7.478531821448561 | -7.977721050489389 | -7.592496061967315 | -8.013863023010858 | -8.536691653866402 | -8.475881954313717 | -8.379346518000778 | -7.709115738931272 | -7.654329357497987 | -7.537849546425696 | -8.59640640480066 | -8.571265336866894 | -8.51987866967405 | -7.587247638595404 | -7.657460800540521 | -7.523813505779768 | -7.779781017969729 | -7.501329147714079 | -7.393272780511952 | -7.309845079630565 | -7.22526350760775 | -7.275074660913731 | -7.433715645552404 | -7.366722852177517 | -7.51223530556615 | -7.45013544960931 | -7.314081732142768 | -7.43334352636458 | -7.318140844446766 | -7.477120327703717 | -7.407318347428333 | -7.507619317501485 | -7.417238260423525 | -7.5150841981715955 | -7.427789749463021 | -7.25415648146895 | -7.452964848337551 | -7.5341020777768595 | -7.372389144810085 | -7.354099564477017 | -7.287785990164108 | -7.1751488787112825 | -7.293397710775407 | -7.574255893184725 | -7.485623379037144 | -7.289064786522817 | -7.531346678934091 | -7.188010308127195 | -7.084233503580826 | -7.212517730039045 | -7.281879557719734 | -7.515637845331605 | -7.5233064200841175 | -7.420541525055065 | -7.326256718357722 | -7.311372154940705 | -7.636440267239791 | -7.513337179903868 | -7.361103088018594 | -7.407928181302 | -7.385333749678891 | -7.364768468969668 | -7.379690726134884 | -7.34945046793099 | -7.281148528686444 | -7.352692606720387 | -7.525921766427678 | -7.654502234247437 | -7.4541132148572915 | -7.426128067681425 | -7.436991638408008 | -7.597333275837479 | -7.299152487633215 | -7.513667881276198 | -7.3986619038487005 | -7.319429192793895 | -6.989250225146842 | -7.21606300982571 | -7.361224966245589 | -7.4112706757121725 | -7.458274884080099 | -7.5468494849054215 | -7.606011447148464 | -7.549467323234199 | -7.682988414864836 | -7.660398542355118 | -7.637151174046478 | -7.38206206872649 | -7.489203482278293 | -7.633656318361739 | -7.58840866882696 | -7.626638387261549 | -7.585215794670851 | -7.559196838213143 | -7.411451688628436 | -7.57596261996724 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | -1.1697245154345715 | -1.1957269441247038 | -1.1576481689578746 | -1.209474665015421 | -1.2643421462933973 | -1.2101410706035132 | -1.2836324220809079 | -1.1891205511585674 | -1.248105300711053 | -1.2581175061450707 | -1.2015239354050864 | -1.1928419914175896 | -1.1488320045498697 | -1.1242974276834434 | -1.1827748896490147 | -1.2743190407582752 | -1.1743679288046522 | -1.2609290257207726 | -1.2444066630777475 | -1.220122039012938 | -1.2643456470101622 | -1.1950248776590624 | -1.1488616583085516 | -1.2315942556274226 | -1.2752509412939186 | -1.253348622713476 | -1.2190400358311417 | -1.2051082804210098 | -1.2668309650825007 | -1.2530257749328655 | -1.194462652978518 | -1.1012605545009082 | -1.1641726984693077 | -1.077879325573221 | -1.1239383815099715 | -1.0951813120700937 | -1.1548494404379688 | -1.1698375513169006 | -1.1966785592792486 | -1.2248220664913685 | -1.205347313884049 | -1.2476229804205319 | 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| 131.045 | L-Asparagine [-H(+)] | cpd:C00152 | -6.502205043301279 | -6.520054401123432 | -6.946836515945158 | -6.740301834324265 | -6.367025058859522 | -6.57326693294875 | -6.900773202167461 | -7.303470539737433 | -6.501145747274932 | -6.928088603055043 | -6.4590018312549144 | -6.849789280211024 | -6.641597988237555 | -7.146184788683156 | -6.121215994954212 | -6.6358072899084135 | -7.057271576924077 | -7.0156522891764155 | -6.998816183873609 | -6.7114451314379675 | -7.059133553180024 | -6.78218081264277 | -7.378771914375544 | -7.2079861248697945 | -7.285971456592883 | -6.504574765610306 | -6.767601387351004 | -6.639189264201069 | -7.363734322763664 | -7.301299341948939 | -6.8646996294774745 | -7.240216264309193 | -6.747399467187682 | -6.7268109110123175 | -6.951496562439733 | -7.112793812009475 | -7.153585417434731 | -6.789506997093971 | -7.277653196004478 | -6.7045543550341895 | -6.779664587915118 | -6.668685876450057 | -6.603164216329018 | -7.183548231966087 | -7.26333899103948 | 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| 131.082 | L-Ornithine [-H(+)] | cpd:C00077 | -3.1605894859040435 | -3.078263974839845 | -3.081298322305226 | -3.2426927548361077 | -2.851364271786804 | -3.0606202856282456 | -3.1473404671957637 | -3.513627488535412 | -3.1343536696628598 | -3.2332137165724575 | -2.9408426220515778 | -2.8021490155830917 | -2.395873848295771 | -3.1978110666000683 | -2.5549183732974794 | -2.9894667658950387 | -3.518419538575676 | -3.218987649190589 | -2.7528938914276746 | -3.309040312734417 | -3.1718343448856086 | -3.246317734844108 | -3.33611520901314 | -3.2996979963208424 | -3.493563948795448 | -2.670589731114092 | -3.1655097535806425 | -3.1162075388314197 | -3.1570974270097794 | -3.4648558447665248 | -3.1372368997137294 | -3.4653760674100207 | -3.0801552899742384 | -3.544430704185629 | -3.1688092217095507 | -3.3053804396988036 | -2.9775172865089687 | -3.4331307588339626 | -3.313092701000824 | -3.483963287713083 | -3.4563718606538267 | -3.3070122713026575 | -2.9904177302460075 | -3.2670624350148936 | 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| 134.029 | L-Homocysteine [-H(+)] | cpd:C00155 | -9.223253052772161 | -9.311677198345567 | -10.42985836482625 | -9.119863711028872 | -9.423026588244252 | -9.053623204602186 | -9.887639809596353 | -10.160607859760201 | -9.175474973316668 | -8.74076281464213 | -9.046994507500832 | -8.953861104994658 | -10.22694768910895 | -8.652882107319561 | -8.872556684868448 | -8.935097284242758 | -9.078116853324152 | -10.025862365707072 | -8.81985280648593 | -9.117455320533953 | -8.878270808696621 | -8.949398415370485 | -8.555767856972427 | -8.761546805274948 | -8.693663938242508 | -9.748421093654946 | -8.683690898237092 | -9.126720768667198 | -8.425169103852483 | -8.912436411232433 | -10.053862700378337 | -8.39468224374581 | -9.626935912209717 | -8.887265845457025 | -9.729260484093132 | -8.305212735538523 | -8.854686581996718 | -9.061910035562073 | -8.722021869235874 | -9.612342380637802 | -9.503026030562705 | -9.354217933596818 | -10.132853110587714 | -9.126370755330809 | -9.267963867144646 | -9.73195101168303 | -10.088219839343603 | -9.601633654458777 | -8.939807208711619 | -8.840221498001728 | -9.078718381206002 | -8.974677649369664 | -9.849372141940295 | -9.040002153810894 | -9.646670506624075 | -8.748015051350261 | -8.520318285735785 | -10.184846942385686 | -9.662776453798433 | -9.348948906214678 | -9.495305533176117 | -8.959558912279997 | -8.925640964794818 | -9.032807847903785 | -9.20585136700743 | -9.07273104774504 | -9.001731114897026 | -9.467974119693332 | -10.332403730704115 | -8.952793096808305 | -9.068624085717097 | -9.620551655341755 | -9.340445759805963 | -10.369560174118252 | -9.28514612350567 | -9.461610567710382 | -9.062919238712444 | -9.430015782977552 | -8.961549053825028 | -8.974237286941115 | -9.007378893026438 | -8.964882486077542 | -9.21516011799635 | -9.496823873898636 | -9.901879918603836 | -9.796042067387617 | -8.301151531739283 | -8.710193601477172 | -8.801400734794441 | -9.417081677487827 | -10.195434641915426 | -10.459978091476138 | -9.236587328139317 | -9.14239779916754 | -8.29826299043873 | -10.00710026970966 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -6.605389637679126 | -7.191684817358864 | -6.20482383535837 | -6.946083233508854 | -7.245355929219498 | -6.891464542273161 | -6.817480422380486 | -6.684421245977074 | -7.1454336188936916 | -7.402771268106946 | -7.034811068989688 | -7.184633469285901 | -7.407913625857917 | -7.116726714200586 | -7.251025302807002 | -7.812599709001192 | -7.199641456237363 | -7.741295254807707 | -7.553950964793874 | -7.427123586511718 | -7.017770032257227 | -6.924828595897957 | -7.306194357935993 | -6.956173404709691 | -6.896657287746385 | -6.824963295201679 | -7.362794573342688 | -6.781766273930566 | -6.74206421371838 | -7.45356298351488 | -6.410035071175607 | -7.374097183434145 | -6.677661874721555 | -7.59668249305187 | -7.3445037400352735 | -7.0598901727250025 | -7.476864658443114 | -7.558650991363106 | -7.477986930728386 | -7.662020159391675 | -7.482933626976983 | -7.638253124522256 | -7.123045667548888 | -7.417578512639043 | -7.256602417097536 | -6.622900479807957 | -7.49518935694882 | -7.020796711330637 | -6.741023259162487 | -6.585468157061205 | -6.997780890164989 | -7.031551728740668 | -7.287449241602783 | -6.684254349876326 | -7.149726312766644 | -7.466372255121297 | -7.475038569312257 | -7.202109954291335 | -6.682842586535457 | -7.161556413121662 | -7.03096868573755 | -7.467476719317695 | -6.807580370470747 | -7.040271613243202 | -7.026345475421475 | -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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | ||||||||||||
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| 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -10.266236180741853 | -10.273233372466736 | -10.33648452614211 | -9.866857568281281 | -10.05600328273595 | -10.047154323920912 | -7.730847668876077 | -7.771321112000498 | -7.722796571547797 | -8.303188863118606 | -8.329093830960451 | -8.332423591904211 | -10.229257760229798 | -10.175914050718333 | -9.94244619704322 | -10.16116667517045 | -10.14948835060319 | -10.190801312117946 | -10.20298857579894 | -10.234753474851702 | -10.313210274567117 | -7.686653971321053 | -7.786741714491822 | -7.86231306536708 | -10.064975427595874 | -10.14776625479086 | -10.082285199209844 | -8.40162046082825 | -8.410717810206291 | -8.283904128616294 | -7.945079818732406 | -7.883423229315094 | -7.916800241203303 | -7.898616646066557 | -8.0983149346237 | -8.109410749489205 | -8.853499376328331 | -8.462004666160666 | -8.554337457785048 | -10.297637450336023 | -10.209620381618246 | -9.92834705200167 | -7.944378605401509 | -7.440584084081545 | -7.335280082431982 | -10.08256193991415 | -10.08723776809701 | -10.211178113675617 | -8.304070138212266 | -8.280188779927576 | -8.244709200233714 | -8.24953860787242 | -8.050603822220877 | -8.14592391397 | -8.230068581560314 | -8.015753469027478 | -8.202598510917447 | -8.014689710208607 | -8.298395721359544 | -8.054719727078487 | -8.056956482582557 | -8.068405454964584 | -8.125892059202645 | -7.818940518326519 | -7.524721696909699 | -7.76279818907194 | -7.840063507578057 | -7.792564349470064 | -7.715273699250938 | -7.800466727536944 | -7.698981099858072 | -7.723498552918301 | -7.74238281455379 | -7.726874719376906 | -7.619374330691311 | -7.747383020896635 | -7.698349169284195 | -7.745806885241004 | -7.7720975799243694 | -7.756484912354115 | -7.646010014301451 | -7.811748725711587 | -7.7236056547104335 | -7.941058101329919 | -7.928573114048091 | -8.161536235811212 | -7.772109785633516 | -7.812360789852065 | -7.798626313915572 | -7.755844238811321 | -7.746741592701591 | -7.721205095855621 | -7.808735267587087 | -7.796941306717585 | -7.687648414438641 | -7.67296215001423 | -7.708142234324611 | -7.642384525893721 | -7.765592939528463 | -7.6491024725620305 | -7.624006008826742 | -8.23678869486254 | -8.229713238690517 | -8.185944158286137 | -7.907839172554459 | -7.773131086482487 | -7.785931715130033 | -7.761355492852681 | -7.607239393164755 | -7.785959408740326 | -7.686462634805549 | -7.539652967732816 | -7.741725241473771 | -7.804671865710843 | -7.786712293095206 | -7.949165458314057 | -7.7245202076864485 | -7.845039736209624 | -7.732616542406956 | -8.234889698726887 | -8.308919540331127 | -8.202069898255992 | -7.983047027874989 | -8.034418212163256 | -8.166584633546956 | -8.168012813161383 | -8.361313613871541 | -8.388229239654002 | -8.088829642853778 | -8.269112335090902 | -8.227664392463605 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -9.012568768511029 | -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 | -8.335367139938711 | -8.478784383020777 | -8.061407859766252 | -8.860275939808194 | -8.416773072105373 | -8.182410402189234 | -9.405841548384236 | -8.62560105291479 | -8.565998688402976 | -9.127954126446406 | -8.663698500327211 | -9.132782917850788 | -9.297685890305807 | -8.417424690524099 | -8.827633837208786 | -8.65221297182268 | -8.627880692215598 | -9.000245647116115 | -8.330382663317685 | -8.064896380415734 | -9.447852867137994 | -8.887793885574316 | -8.37206037416185 | -8.964338636699253 | -7.930978840679156 | -8.126137588511076 | -9.008587049908288 | -8.703304254729618 | -8.026495328678653 | -9.06464622518502 | -7.98229953615039 | -8.61409319140426 | -8.98567871751154 | -8.262442557156959 | -8.224777832178566 | -8.543184868427321 | -8.158951228796425 | -8.561484603016954 | -8.99684701606996 | -8.657932880246749 | -8.45108914632798 | -8.91010583028973 | -8.196663379996398 | -8.570389840178999 | -8.393799469970395 | -8.272850430170246 | -8.734688766449338 | -8.837216202782486 | -8.114265735560203 | -8.163764916325958 | -8.219653550293945 | -8.234794654783588 | -8.443906995857226 | -8.462632873798817 | -8.192472059278698 | -8.169714801031818 | -8.889201505660147 | -8.405744952684543 | -7.962647989727726 | -8.80203055495784 | -8.596779324797629 | -8.378368961144748 | -9.079069582684355 | -8.762362983012068 | -8.464862660304522 | -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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | -8.635233558774356 | -8.79587091362256 | -8.474287735737672 | -8.111299882738647 | -8.0740061242831 | -8.23513109659799 | -8.2863451169937 | -8.102814537906568 | -8.054198240659964 | -8.60789166926056 | -8.712478745728683 | -8.188396713803069 | -8.20055236217441 | -8.164609498030735 | -8.033732322982457 | -8.465079183374757 | -8.518195578122455 | -8.406356686522827 | -8.230378060546943 | -8.076983388159658 | -8.332492836970305 | -8.525799452509842 | -8.228071317043893 | -7.864017650771367 | -8.223495352672275 | -8.346035514766184 | -8.081764257279323 | -8.575109483821967 | -8.156000887608984 | -7.947200268615618 | -8.267729628761677 | -8.197339086734543 | -8.183670760944368 | -8.386735908699835 | -8.172437931927808 | -8.93509681851666 | -8.461463526034807 | -8.236359808289011 | -8.015022462022568 | -8.29541284116152 | -7.90062966829834 | -8.317178523344404 | -8.120913182149371 | -8.388103486840443 | -8.644841158910367 | -7.968742355466737 | -8.25355802336934 | -8.127458206886825 | -7.970347054170395 | -7.7733058135342645 | -8.241478740125245 | -8.13053484453455 | -8.289154581491578 | -9.288261011169961 | -8.070865061099262 | -7.8917722074628305 | -8.006823135863307 | -7.855003691707976 | -8.185932131105208 | -8.636975204813822 | -7.816865960055219 | -8.120896388018327 | -8.27447892904615 | -8.25974706161635 | -8.624654753672182 | -8.210994699311044 | -8.054661720344436 | -8.204795154804833 | -8.577666550320407 | -8.248576281648297 | -8.483886712872769 | -7.554934984537927 | -8.42518422317437 | -7.688792340301303 | -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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.172627562000828 | -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 | -6.1436289488209725 | -6.234234614229816 | -5.591479032523707 | -6.458384302136751 | -6.20271635471461 | -5.948820613570905 | -7.1237120680134405 | -6.09555160275816 | -6.287289839623706 | -6.698526636548895 | -6.207116942082611 | -6.6991640747716845 | 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||||||||||||
| 138.98 | Acetyl phosphate [-H(+)] | cpd:C00227 | -9.215972292609084 | -9.234629743377363 | -8.65443558160014 | -8.82730457223446 | -9.275704752576353 | -9.048168152749898 | -8.800222833637417 | -8.561815355936787 | -8.895792323757295 | -8.637602262671914 | -8.742517185564623 | -8.662325582371702 | -8.740309887224827 | -8.55225084658139 | -9.126344673194422 | -9.373724358969467 | -8.787411203555754 | -8.873520132905195 | -8.783913226872288 | -9.137439139463334 | -8.800040376830149 | -9.468137518411494 | -8.73109909342527 | -8.759077858600225 | -9.1275322706964 | -8.952888248412648 | -8.694174922283052 | -9.347252051767056 | -8.631067415221386 | -8.843719733173353 | -8.643670021450923 | -8.429167526971936 | -8.862243403565293 | -8.76952277368682 | -8.588893910036202 | -8.503003502943557 | -9.009635078661992 | -9.17883223265166 | -8.704610460150057 | -8.830191631009887 | -8.715744512957437 | -8.404477061679753 | -8.48363829384903 | -8.605073540334748 | -8.531047350867857 | -8.982759080275416 | -9.33616502905598 | -9.423873842941308 | -8.777214456549226 | -9.005094860241275 | -8.604041861954864 | -9.194863457952103 | -8.609831140290746 | -8.991892935897354 | -8.499532151916586 | -8.418866428900934 | -8.289408299706842 | -9.028569640005847 | -8.769925099172626 | -8.99959538513413 | -8.605665271491212 | -9.022241280007409 | -8.94866434599221 | -9.609431766552072 | -9.574961900651026 | -9.498844497496966 | -9.599496606710462 | -9.480755789264201 | -9.372012622674838 | -8.945003578869947 | -9.46597307087098 | -8.978279060935233 | -8.606886657120157 | -8.748203118432498 | -8.76247108552165 | -9.1158018650909 | -8.677190353350264 | -9.335125931705951 | -8.773506888473962 | -9.22104376370869 | -9.54083218802264 | -9.166088453471168 | -9.587171481027534 | -8.826387096044597 | -8.827581520972034 | -9.180618289555659 | -8.855557738307379 | -9.335433849558987 | -9.000349330766305 | -9.523275762358477 | -8.79154349696925 | -8.711768060204212 | -9.073114542159642 | -9.29656108998938 | -8.693673887197818 | -9.635175056802002 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -8.474858077666681 | -9.039909120652082 | -8.710847116391877 | -8.764146070558136 | -9.122536374242525 | -9.133837051244276 | -9.195631308302545 | -8.301367013969584 | -9.42174369134302 | -9.36921312097078 | -9.220756297033358 | -9.015792994291187 | -9.509878678127139 | -9.57750660093403 | -9.276919395401597 | -9.85533094314465 | -9.301918297321016 | -9.30941569114109 | -9.69312499045231 | -9.851065180354805 | -9.106437144024056 | -8.947398024521162 | -9.609009194933034 | -9.203546746482795 | -9.002453994954747 | -9.366328729815834 | -9.246900775570724 | -8.753161041907925 | -9.314825691704872 | -9.265925122697523 | -7.522679423873807 | -9.492970149261522 | -8.75898981755493 | -9.819140331343078 | -9.52301473409762 | -9.274841575177648 | -9.46660056599299 | -9.579427512258434 | -9.280877399669903 | -9.586401849557864 | -9.6213861413188 | -9.450304330923515 | -9.256283653131783 | -9.677431741895166 | -9.402879604692238 | -8.680216387091848 | -9.573780680456695 | -8.56538528386537 | -9.041681768301158 | -8.892323053250173 | -8.825655157867835 | -9.232112483855074 | -9.051736102844124 | -8.7823053226853 | -9.49271263397947 | -9.78602475870985 | -9.144026307637736 | -9.374436063491776 | -8.541685919611735 | -9.09315947641216 | -9.108806655626367 | -9.462341293472555 | -8.960622295600572 | -8.752677360096246 | -9.511943324705818 | -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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | -8.895513326867079 | -9.409342535653115 | -9.076199512180228 | -9.176205058585484 | -9.023713590891063 | -9.836209930821303 | -9.362696292224292 | -9.42070119670997 | -9.41201389909609 | -9.001217885359722 | -9.605459502463946 | -9.326257702993683 | -9.160023587739943 | -9.424539213715036 | -9.374169868261475 | -9.355066173853317 | -9.246689667777874 | -9.751632111774432 | -9.334205675281302 | -9.437928448917273 | -9.334478470344477 | -9.034918212204996 | -9.137308387220324 | -9.309422284808845 | -8.858502857480245 | -9.232463200601957 | -9.478060640099681 | -9.347896843419674 | -9.075156380695537 | -9.091824842205748 | -9.023187541557526 | -9.60196718165745 | -9.543198961813893 | -9.030327598816232 | -9.387392612499177 | -9.165555115521057 | -9.295205543341128 | -8.878254873350683 | -8.90813928956814 | -8.957117277776046 | -9.260724852902396 | -9.313599805314436 | -9.059880678023713 | -9.70592789325797 | -9.114857256153316 | -8.809163601623073 | -9.461585754649937 | -8.782856778391839 | -8.968274970826002 | -9.249435972111197 | -9.014733835663069 | -9.660276677994833 | -9.768943219991913 | -9.049653463817563 | -9.031961229906198 | -9.256748438297537 | -9.18480828030694 | -9.03388188634164 | -9.66950071788204 | -9.783791890656824 | -9.170639119832167 | -9.337198219966643 | -9.342055479499495 | -9.506149255606728 | -9.720274921964425 | -8.796164120357714 | -8.869227453337405 | -9.294852226780213 | -8.907469579076468 | -9.281593824588658 | -9.556040718833355 | -8.384337773999745 | -9.094730617250756 | -9.244044905593457 | -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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.665687569160556 | -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 | -6.705819407657383 | -6.710020446198368 | -6.440188502663002 | -6.96317770262748 | -6.776115790589204 | -6.7209078458290765 | -7.365524437544026 | -6.743077529407305 | -6.81742611125252 | -7.1848588541648875 | -6.78912158349311 | -7.1087582053793446 | 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| 145.062 | L-Glutamine [-H(+)] | cpd:C00064 | -4.989033546930017 | -5.144743817991006 | -5.1016960992992795 | -5.253064942295914 | -4.844053318535735 | -5.1531503996519445 | -4.973763929164583 | -5.483225643606167 | -5.128890475547275 | -5.175066199906585 | -4.967182866839107 | -5.004669689639742 | -4.778857506515673 | -5.2100975346872636 | -5.120115812682248 | -5.249012376687987 | -5.596912924279158 | -5.244488299189686 | -5.066736814688802 | -5.358316731728047 | -5.138190282676881 | -5.470565666643029 | -5.468239453495453 | -5.305070407558227 | -5.497583896761103 | -4.992544988087278 | -5.3054211767519845 | -5.237813367861071 | -5.362427302799408 | -5.351501515995178 | -5.091250392127361 | -5.322272837522311 | -5.104762402331098 | -5.341141098581044 | -5.047183168899553 | -5.206031325883511 | -5.197403632454387 | -5.363581812779238 | -5.3793418989737285 | -5.447387856941565 | -5.476261596591747 | -5.211965924386385 | -4.9917541854230985 | -5.228022315089382 | -5.322809639124602 | 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| 145.098 | L-Lysine [-H(+)] | cpd:C00047 | -2.1280177999202707 | -2.053291171397243 | -2.2556727950195725 | -2.2506054585222643 | -1.6601194137908781 | -1.9701410475048848 | -2.3264754312317697 | -2.796226355981085 | -2.1181777368802432 | -2.38963372150455 | -1.8891567600844583 | -1.8079821711302113 | -1.3978442410275085 | -2.360001743503329 | -1.4131774177858334 | -1.8639212207601066 | -2.598410592162649 | -2.3579280664524003 | -1.6328421191897666 | -2.2413118390405304 | -2.2346468729085114 | -2.2444273370530192 | -2.5610212540917976 | -2.33738548767585 | -2.6532142429543213 | -1.5918535053925023 | -2.2539249075732672 | -2.011157594191031 | -2.3269370530672964 | -2.5374109616004645 | -2.255291906363571 | -2.7528427828652053 | -2.18745726345003 | -2.651669088130779 | -2.3414433912479558 | -2.5534479297535526 | -1.9267584208695885 | -2.4639097472526745 | -2.4028938391206474 | -2.593531291290244 | -2.534732851779407 | -2.4072128007673177 | -2.1192942610659706 | -2.4234908921614524 | 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| 148.043 | L-Methionine [-H(+)] | cpd:C00073 | -6.095683089378479 | -6.113001437379296 | -6.20980728470098 | -6.174486786155419 | -5.968166836751842 | -6.1215022933997085 | -6.179371991479074 | -6.1802307709222495 | -6.130752455199212 | -6.089921726708252 | -6.0347334553510565 | -6.006294541840528 | -5.924255100342862 | -6.188330970136725 | -5.928399780402249 | -6.1732997082264225 | -6.210769533062993 | -6.180906210685938 | -6.048051097685192 | -6.1236352221035535 | -6.104210120903234 | -6.2733271546937655 | -6.243699345225293 | -6.193777740928819 | -6.258831558689907 | -5.993913180577815 | -6.214500556798509 | -6.161961299677928 | -6.25072821911075 | -6.118287625882852 | -6.193255221699951 | -6.291495345740136 | -6.202271142865877 | -6.281157078522573 | -6.254860351609844 | -6.356854233681672 | -6.098821740052302 | -6.246027452601472 | -6.16335439571689 | -6.115367413325891 | -6.076178557863278 | -6.0809375830380015 | -6.052561834574205 | -6.048044956194602 | -6.1733528040254795 | 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| 149.046 | D-Ribose [-H(+)] | cpd:C00121 | -7.285861408202382 | -7.055758622075819 | -7.206047890103691 | -7.05129205387049 | -7.205339726057361 | -7.441269646278856 | -7.012878862086127 | -7.15429688793415 | -7.090688993956755 | -7.102653055521 | -7.248758840810357 | -7.096099114908592 | -7.029015352072399 | -7.0479764484691865 | -7.031128684109952 | -7.283551175442328 | -7.469362094917284 | -7.30553176704009 | -7.1381740797405735 | -7.511348554303896 | -7.143421832684142 | -7.706981555246436 | -7.281460662428649 | -7.303702109056508 | -7.369923015054614 | -7.183593757481748 | -7.081509698548147 | -7.241936256638053 | -7.295668727749137 | -7.330816656693975 | -7.09745017266641 | -7.082268932186629 | -7.073064376613599 | -7.147985223090511 | -6.991000457590978 | -6.901484091292286 | -7.271898641655428 | -7.469869638965524 | -7.238294962098685 | -7.413335448902939 | -7.378243878779874 | -6.945696281318902 | -6.912048776954791 | -6.905012021747878 | -7.023709694757153 | 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| 151.051 | L-Asparagine [+F(-)] | cpd:C00152 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -6.367868093273943 | -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 | -5.768482632265531 | -5.723792242868404 | -5.2130756337011706 | -6.136693634676811 | -5.682925065805888 | -5.53059070662576 | -6.980318621867838 | -5.874860638884483 | -5.768883875189097 | -6.242418791969653 | -5.887962278961905 | -6.388373945992096 | -6.485420454706963 | -5.738492926953355 | -6.076747995414476 | -6.055196507100266 | -5.8298582170860795 | -6.226246279348709 | -5.496625864712415 | -5.407078673356636 | -6.631186661639379 | -5.902339987268004 | -5.596511111366212 | -6.124425838576138 | -5.230746497538797 | -5.4750705847777015 | -6.19707747517048 | -5.868997465094805 | -5.274714882500175 | -6.340351572499638 | -5.228344867607524 | -5.825779375818663 | -6.254523709512188 | -5.766413147499073 | -5.591691931441852 | -5.755307833965826 | -5.553774909252313 | -5.7783321329419115 | -6.2230643249389335 | -5.991875587742341 | -5.799726667012218 | -6.1359376185917665 | -5.612562868327355 | -5.852455922116098 | -5.6666478289847335 | -5.623698001041525 | -5.892833441532083 | -6.578086018296497 | -5.519944702240935 | -5.523235828300067 | -5.4732138049543 | -5.459822786446656 | -5.6796172406028775 | -5.3864664812325795 | -5.564112709922352 | -5.631232282087406 | -6.344339413794438 | -5.814481016335832 | -5.318234852187982 | -6.024020342655924 | -5.882461330419279 | -5.4914221496543565 | -6.282102894225369 | -6.024292286638232 | -5.7440049788945915 | -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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | -6.207973722749068 | -6.298101822286267 | -6.2627293423169395 | -5.790110283580579 | -5.759201284760732 | -5.803592367697204 | -6.038788921094259 | -5.819793935702552 | -5.832904379806526 | -6.189131281400658 | -6.188628134104759 | -5.952822385589733 | -6.105351452086272 | -5.7858238824528705 | -5.740993441752774 | -6.020469230405345 | -6.056250646641581 | -6.037359258822842 | -5.927953502389532 | -5.678997497904236 | -5.923323223104504 | -6.115534660741453 | -5.826063647011362 | -5.550600889143623 | -5.942990833327365 | -5.971650142723378 | -5.895973360304938 | -6.098167920676846 | -5.809786704301655 | -5.772846750229812 | -5.829216192506161 | -5.966113333157886 | -5.879930641767881 | -6.001941117357482 | -5.926313953671053 | -6.282737594303698 | -6.274082530997562 | -5.779817738424717 | -5.666015018692289 | -6.004677652652373 | -5.760435420438952 | -5.91606974310379 | -5.9809646665006495 | -6.027613147853332 | -6.031786560578779 | -5.832504841854661 | -5.9471008705466595 | -6.04759018285996 | -5.76060453207962 | -5.64241508989659 | -5.835087564583666 | -5.817712317931182 | -6.072616121879065 | -6.63533671540895 | -5.66273114794065 | -5.7241231789969875 | -5.774509973061796 | -5.733397806287644 | -5.841622200507536 | -5.993137762093058 | -5.37619456084879 | -5.603438271576555 | -5.854853462078775 | -5.783487214136165 | -6.202148557736602 | -5.9699687880937855 | -6.046476238323233 | -5.874543301916291 | -5.949554584619054 | -5.877591640204751 | -5.9361792371042545 | -5.052300687968315 | -5.99218537923733 | -5.3210027757014835 | -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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -4.071984145326746 | -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 | -4.531068768814809 | -4.087638745347964 | -3.799897798793888 | -5.065093941361584 | -3.8660580667843054 | -4.06935598296867 | -5.841561582019461 | -5.243912446590267 | -4.178364367062795 | -4.839760721421594 | -4.628513941557272 | 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| 152.036 | L-Aspartate [+F(-)] | cpd:C00049 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -8.170400953035559 | -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 | -6.398130465975206 | -6.867890118772265 | -5.987310865079299 | -6.780232693874997 | -6.944291460627614 | -6.70110875439629 | -6.802630608475085 | -6.468986620346346 | -6.989603932897226 | -7.1025119087344635 | -6.897087953670522 | -6.898417471733931 | 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| 154.033 | L-Homocysteine [+F(-)] | cpd:C00155 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -10.05527761606475 | -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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | -10.159039599106787 | -10.339018620141083 | -10.39526707821429 | -10.050022223581905 | -9.703500826247852 | -9.804285752636302 | -10.178655552423884 | -10.27321143128835 | -10.166006656963921 | -10.22103712236908 | -9.985629194933939 | -10.100877516630792 | -9.99839954645876 | -9.898485105573576 | -9.988344059206376 | -10.156432570410344 | -10.203289593408295 | -10.38287509521091 | -10.372013021061997 | -9.99822867578854 | -10.263600767817959 | -10.472623135953654 | -9.904412580720155 | -9.896537550269107 | -9.859445850498165 | -10.039429328828799 | -10.051447155089171 | -9.864353646335767 | -9.864085155232873 | -9.964155175652845 | -10.22520349567194 | -10.093356948878744 | -10.17136677912812 | -9.962126265839132 | -10.011333348937184 | -10.060006206554444 | -10.302983727723559 | -9.611073731393454 | -9.820334003118882 | -9.860446579482959 | -9.871589041062162 | -9.875657734525594 | -9.805514825281623 | -10.134152038627166 | -9.805053991402243 | -9.655780593869846 | -10.145819104133388 | -10.061936623190059 | -9.628659342169257 | -9.682037896655565 | -9.816011621430816 | -10.184417128291075 | -10.32203261833951 | -10.020479078121193 | -9.77914299074426 | -9.681578553241145 | -9.91437229736645 | -9.915586828680636 | -10.064264348026041 | -9.973784424336973 | -9.594881263746451 | -10.043718606190595 | -10.049875273962275 | -10.133332779941664 | -10.36874016056143 | -9.77004560492287 | -9.817856819775395 | -10.096646613341166 | -9.909987876993391 | -9.886539445589646 | -10.055445422726764 | -8.976348411479925 | -10.01300989021285 | -9.378784466883074 | -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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -5.024290401727128 | -5.384163815913923 | -4.768147225984683 | -5.245696308117461 | -5.497346421772468 | -5.337672093370578 | -5.545655007476663 | -5.45787582373748 | -5.298063089395728 | -5.606965950354912 | -5.41334088356569 | -5.601189796365091 | -5.620259077410382 | -5.3818268109027665 | -5.374104706194129 | -5.4735392643492 | -5.334066236660228 | -5.441319477515419 | -5.507219777090677 | -5.496757160954983 | -5.671783081930185 | -5.2114206861427865 | -5.332446610829687 | -5.22363890702918 | -5.438237627372293 | -5.2045098911441565 | -5.466969602034115 | -5.348962451810957 | -5.292024117324732 | -5.463676139322152 | -5.275997011294168 | -5.278697093290025 | -5.413417083979239 | -5.481584268439143 | -5.32140038365816 | -5.3950947562960065 | -5.486789376111117 | -5.492396005583454 | -5.436816349687674 | -5.4980160031274385 | -5.417533267906787 | -5.375220169495548 | -5.266562886717322 | -5.4778227297083495 | -5.46633739066827 | -5.415877018417352 | -5.496586171388693 | -5.8630549748285645 | -5.11637335024883 | -5.019089984266968 | -5.580149888864626 | -5.293984637080009 | -5.306033508819758 | -4.91389470404795 | -5.472806167651171 | -5.5942365687818825 | -5.501272162263524 | -5.350417753288676 | -5.1997473387980975 | -5.479883065040792 | -5.422381934908297 | -5.395324423415729 | -5.104109939448339 | -5.43714518284805 | -5.230369522375866 | -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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | -7.336196552135154 | -7.653646377125571 | -7.240438136270439 | -5.728979971082337 | -6.369318324946622 | -6.504010164078046 | -5.437196462326506 | -5.7763298245742 | -5.731978905212075 | -5.739061019717045 | -5.1245203072173435 | -5.154536809263944 | -5.018972568170034 | -5.21983332341352 | -5.3801594406991065 | -5.890952848671861 | -5.878344953645435 | -6.59260668555627 | -6.200693845631548 | -5.598924730073606 | -6.0490097591173395 | -5.9255499017994 | -5.258265375101497 | -4.906045521828979 | -5.115281802426364 | -4.979024007974711 | -5.557940579655181 | -5.115285863079853 | -4.950074467245253 | -4.907814460473651 | -6.103317988579877 | -5.765881572802787 | -6.270713217932641 | -5.528789976084351 | -5.313107572726728 | -7.136392276825621 | -6.277580521312666 | -4.707941643714129 | -5.2016086646473445 | -5.134825785301494 | -4.934443589909728 | -4.7450682491252 | -5.161504984855485 | -5.421679624516433 | -5.806373943112205 | -5.436818000599683 | -6.417338686429552 | -5.06887504689981 | -5.016036865741648 | -5.248231660384108 | -6.294209331401762 | -6.068334726843216 | -6.159490420124657 | -6.3282170064344445 | -5.0494566416038085 | -5.235189198864602 | -5.320582610962413 | -4.890111171763256 | -5.675130492338488 | -6.238371535051542 | -4.998828980578663 | -5.623898014043768 | -6.021798787971956 | -5.910650970913343 | -6.866957899672786 | -4.868436443028802 | -4.699638514883961 | -5.1697238902389895 | -5.001716486978374 | -5.972646524350964 | -6.094130527347878 | -5.025225816113148 | -5.286415260436799 | -4.833261920827253 | -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 | -4.26548184620003 | -4.120721327386308 | -4.283044918921743 | -4.229795851872504 | -3.8549437731907465 | -4.132134866001872 | -4.204719114111111 | -4.533874747334622 | -4.126333594289155 | -4.239544244960149 | -4.2622769156604745 | -4.040887928186413 | -3.7234979391686167 | -4.514441482776724 | -3.7700801838592373 | -3.9297235211217263 | -4.680487574444784 | -4.248498734677781 | -3.8838770761621415 | -4.333019739166931 | -4.169971255175386 | -4.326041117927879 | -4.657645613207481 | -4.2952413338223705 | -4.293368293974496 | -3.950235057581844 | -4.40855443371575 | -4.23791486022726 | -4.326036253290634 | -4.479424177628325 | -4.420545057435091 | -4.776159767218015 | -4.508955144591057 | -4.924754840441108 | -4.662542478835465 | -4.755074232119191 | -3.98448955056667 | -4.542814574508029 | -4.341868440001809 | -4.386010333533184 | -4.434246964689678 | -4.220916358377521 | -4.062749876750878 | 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| 159.977 | Carbamoyl phosphate [+F(-)] | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -10.045051413529277 | -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 | -5.971344044523387 | -8.330436380198373 | -7.7409704780780135 | -6.467039163542177 | -8.489925830474574 | -8.49058629715794 | -6.006577775269559 | -6.221836829494388 | -8.287187094091447 | -6.384036981695389 | -8.010794607940374 | 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| 164.072 | L-Phenylalanine [-H(+)] | cpd:C00079 | -1.9705929622009561 | -1.9455652099969603 | -2.0774114175890905 | -2.017903159303232 | -1.8270193486871649 | -1.9581505106211 | -1.9548227012465835 | -2.1593927351352478 | -1.9595719481423755 | -2.066559942909272 | -1.8986138685725868 | -1.9282510057244533 | -1.892799340902096 | -2.0261890933634343 | -1.9144464441365412 | -2.061192553865932 | -2.1071144942188402 | -2.1063103785236157 | -1.9054774264190457 | -2.045350509928906 | -2.0309049822728515 | -2.1497206052996 | -2.1950086184916793 | -2.1147912920472347 | -2.185832077148505 | -1.8675915258811149 | -2.0406287500880382 | -1.9835615144668073 | -2.170346592305047 | -2.1192726096703156 | -1.9568709822903325 | -2.1013331803641617 | -2.0020264570307242 | -2.001639106913868 | -1.9495269937883397 | -2.0344040367166163 | -1.9823895452955378 | -2.043841925329914 | -2.053172113550665 | -1.9547683980509063 | -1.935331511141764 | -1.9492570118703996 | -1.829905559752061 | -2.004720447116613 | 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-2.065490887093723 | -2.0072000978288997 | -2.094579577865873 | -2.0052998527347414 | -2.0388972086879447 | -1.9842791765098207 | -1.9952788989363432 | -2.0626515673153536 | -2.0650056978994504 | -2.0357922915259126 | -2.053134618350088 | -2.00885336878572 | -2.032889610765358 | -2.0535593517359563 | -2.06426833821183 | -2.090217289765951 | -2.085530646527115 | -2.1176142243483764 | -2.119372305776057 | -2.1255578919406113 | -2.0649652321057053 | -2.032388730012371 | -1.9526618818756465 | -2.0175173007473184 | -1.9670107218193704 | -2.0472605545711056 | -1.9909328938576232 | -2.113387706137329 | -2.156565409503976 | -2.192854163577605 | -2.008605344657862 | -2.0126834730691194 | -2.011276084197513 | -1.9801766366146716 | -2.091911039193182 | -2.0737379311254727 | -2.2330922237710817 | -2.2005096607565466 | -2.222559391447096 | -2.16929245856508 | -2.087267171534857 | -2.1549636542585486 | -2.1666010850674358 | -2.1517166593675565 | -2.1772826836822774 | -2.126529677641238 | 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| 165.067 | L-Glutamine [+F(-)] | cpd:C00064 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -6.173291176176326 | -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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | -5.785522127554363 | -6.1068604801042445 | -6.04797261711499 | -5.466048974835032 | -5.387195652612072 | -5.610629970999292 | -5.702998135559559 | -5.67367616629556 | -5.670319636005603 | -5.829441732189166 | -5.2853706790499615 | -5.529443609944359 | -5.549518083855861 | -5.20469862316189 | -5.444256958204093 | -5.725053870762582 | -5.721731087706099 | -5.9144814838293716 | -5.677873196075147 | -5.523132746737963 | -5.7975131199270855 | -5.809767028589132 | -5.50853535820785 | -5.3747059701960485 | -5.645817190311087 | -5.440618245715863 | -5.674877923042748 | -5.710570505227675 | -5.399137318203881 | -5.653539915978053 | -5.5623475007296745 | -5.777846811160927 | -5.675447182439833 | -5.558075412055542 | -5.426571825401549 | -5.837492174136631 | -5.977754606183144 | -5.543648955823555 | -5.345449176829086 | -5.687367374239467 | -5.4888514688433725 | -5.390659481166685 | -5.4334614060456685 | -5.4988561090601875 | -5.606461016795493 | -5.455296762521449 | -5.746594915344882 | -5.706721037145074 | -5.426686522175437 | -5.335153242285278 | -5.581335284215385 | -5.737861893138234 | -5.851397952346181 | -6.163797971962115 | -5.543188337160398 | -5.399250098409734 | -5.548554347596257 | -5.582978695221286 | -5.714285026163699 | -5.145986670294828 | -4.4231864107771255 | -4.82832785418814 | -5.770855691984727 | -5.703421921807787 | -5.956277988564008 | -5.174507399148427 | -5.687692029349447 | -5.681750216181163 | -5.484610365474265 | -5.633302685265867 | -5.686485622615662 | -3.600143670745845 | -5.618806831738318 | -4.545430612997928 | -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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | -4.497656537446601 | -4.035246905272698 | -3.6762166696944103 | -5.094911318015726 | -3.8022959500181233 | -4.044181848059415 | -5.993367411781483 | -5.366253249966959 | -4.164939787881459 | -4.879664464618386 | -4.679576158031744 | -4.887130138667742 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| 166.052 | Pyridoxal [-H(+)] | cpd:C00250 | L-Glutamate [+F(-)] | cpd:C00025 | -6.8719960286448725 | -6.8042095812876555 | -6.6972140571978205 | -6.679986886349786 | -6.728951530237039 | -6.695869311189007 | -6.540560183288324 | -6.332288188042107 | -6.894108290397376 | -6.599626692126461 | -6.662760480167026 | -6.648195656922553 | -6.644282155285666 | -6.3714396846818895 | -6.7502376686062595 | -6.969138335020665 | -6.6751096188635 | -6.952716894347897 | -6.817177873304674 | -6.762439637614959 | -6.803026581411809 | -7.019915805482471 | -6.7091216590638485 | -6.911433502129463 | -6.836667979007613 | -6.916513667320345 | -6.619405658733064 | -7.207883995865879 | -6.883850499563226 | -7.284864250946477 | -7.038925842194194 | -6.65479873971633 | -6.912876244067488 | -6.652448386802808 | -7.021361823215187 | -6.721628453304688 | -7.195553320365535 | -6.922118664706275 | -6.899240704372611 | -7.685120578430686 | -7.336957148355413 | -7.297428360100561 | -7.119735921370628 | 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| 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -8.028645819430146 | -8.06702442196879 | -7.620907477249972 | -8.343141332642684 | -8.121412530487474 | -7.932123143233727 | -8.849507496526192 | -8.069395128563762 | -8.06708198607145 | -8.397191071687022 | -8.198168777290565 | -8.524674217295711 | -8.52028439055464 | -8.171732085127731 | -8.427565402474166 | -8.236341927079597 | -8.203075898951289 | -8.48212046859451 | -7.9966801362741755 | -8.00191739124508 | -8.709584265269614 | -8.09610047116288 | -8.065304335321343 | -8.343890589713592 | -7.752584685567868 | -7.9241848076726145 | -8.471982307169126 | -8.1262307592975 | -7.979057449314349 | -8.428718043663547 | -7.5679972228303765 | -8.247036681352188 | -8.416844110945988 | -8.177603543716012 | -7.9358979584757146 | -8.007469349261564 | -8.011623250788322 | -8.184728156124104 | -8.48057191962764 | -8.204939907706244 | -8.254998857010374 | -8.316396055597902 | -8.012799109680804 | -8.210813971267502 | -7.964662079008116 | -8.067024337815406 | -8.313867834187754 | -8.596801096219142 | -8.049106460339118 | -7.978245056085105 | -7.935494812350245 | -8.076131051384094 | -8.26731677284855 | -7.9620040995924946 | -7.9919103392570685 | -8.053709164491924 | -8.588322514549112 | -8.285138349121539 | -7.884551776754226 | -8.367781882682806 | -8.18681908623516 | -7.959431987496263 | -8.424018588429675 | -8.168625884630448 | -8.200876350154553 | -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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | -9.564294012079094 | -9.522944761068162 | -9.502758619225382 | -9.297759631597469 | -9.467011698716876 | -9.542218774781373 | -9.4154829516412 | -8.378420507497191 | -9.200932161825595 | -8.961100268157317 | -9.496267077817766 | -9.504908421434301 | -10.129587757872375 | -9.023804074232567 | -9.90754579044345 | -9.387172368904316 | -8.876431964111035 | -9.285558096117319 | -9.502095819037388 | -9.531921450158052 | -9.451783863128307 | -9.10776882955338 | -8.787950818039038 | -9.235424859209674 | -8.91882319955252 | -9.866257815183232 | -9.08200321093407 | -9.517262208012188 | -8.630492968094908 | -8.967790732174574 | -9.617964031390873 | -8.80471624493599 | -9.246168826056962 | -9.153160853767664 | -9.318144132171149 | -9.003766496493565 | -9.482876285985224 | -9.414463701923369 | -8.904095265147822 | -8.86081428784218 | -8.537837315729783 | -8.943851477264499 | -9.312147817601854 | -8.74263704691024 | -8.68785693117389 | -10.847354456057344 | -11.18011734237953 | -10.795862345775802 | -9.454211188386243 | -9.362107633523708 | -9.362989266986794 | -8.546298955725526 | -9.11513570153968 | -9.346854407199444 | -8.411343856367594 | -9.025169238749001 | -9.197169354762202 | -8.431629772098656 | -8.84002254627462 | -8.80707540042646 | -8.61523435920363 | -9.182232451198301 | -8.902030034468504 | -8.709897141064257 | -9.159771577088705 | -8.86560694933045 | -8.874131803784202 | -8.919577828476115 | -8.900083184640991 | -9.837509646981353 | -9.883367295474148 | -9.698807942660784 | -10.286334349144962 | -10.347028704335905 | -9.337856143133973 | -10.30264571994547 | -8.31976942855799 | -10.452183764823138 | -9.173104632817665 | -9.366851475036288 | -9.845040460797092 | -10.470111156327684 | -10.456218433225208 | -9.229495577953372 | -10.007212087270503 | -10.110371557436729 | -8.646215477635309 | -7.986692933131602 | -9.845635169230116 | -10.38176335088774 | -10.481104103914499 | -10.623205709911861 | -10.890724730751218 | -10.238913136993242 | -9.82556069491931 | -10.987844303399035 | -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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | -8.739398988152002 | -8.935651764483106 | -8.462151534290793 | -7.748701824178291 | -7.611580171154657 | -7.674702661310486 | -8.027223050996067 | -7.9918851632661 | -7.927431084732348 | -8.691715899379279 | -8.388084959427363 | -8.252796596676282 | -8.152611114618345 | -7.753055761026466 | -7.953773583287593 | -8.319272145115471 | -8.330639428205828 | -8.321360476645014 | -8.202576576224459 | -7.787660928837847 | -7.954345487032218 | -8.523094323045445 | -7.952787019357634 | -7.601531639927726 | -8.26157619047155 | -8.012856870323908 | -7.64394101648447 | -8.361000618870095 | -7.802326819959897 | -7.595819370791024 | -8.033306738118148 | -7.969359559555653 | -7.845017884079106 | -8.437132393098645 | -7.975931298174877 | -8.67963392429239 | -8.281753743124082 | -7.851002654470181 | -7.974052053070109 | -8.12120689330574 | -7.490201564225596 | -8.050472112947284 | -7.935476305273815 | -8.120052821090646 | -8.373021252571146 | -7.411001470371372 | -8.12231467195654 | -7.8373036741235484 | -7.844549578217461 | -7.40258398927938 | -7.858373551457927 | -7.893158983102067 | -8.078978864928779 | -8.990601745379564 | -7.765517255038884 | -7.516530187826423 | -7.570023358583879 | -7.536158337108285 | -7.735893647593837 | -8.326931993192032 | -7.279772236251461 | -7.5883157510482775 | -7.940159291031822 | -7.975071477754695 | -8.553773927293223 | -7.922773377606679 | -7.971473042742186 | -7.984384226571046 | -8.425616718690508 | -8.020499827696806 | -8.100394780265257 | -6.4691184694543455 | -8.132431878898494 | -7.101866480114516 | -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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.566274642461584 | -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 | -6.568627347510546 | -6.519374701016331 | -6.4086566725138745 | -6.767304232863815 | -6.897974231199173 | -6.694254772401476 | -6.655419738029309 | -6.826354385277938 | -6.806101909002135 | -6.82370517925219 | -6.750683785642834 | -6.637859504248157 | 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||||||||||||
| 171.007 | sn-Glycerol 3-phosphate [-H(+)] | cpd:C00093 | -6.789527676725872 | -6.953876057948639 | -6.801843637503477 | -7.28211431032807 | -6.97768262642856 | -6.914290868285154 | -6.665218393860433 | -7.088451224586965 | -7.077495072127865 | -7.26950437160489 | -6.994816495956553 | -7.00587462166194 | -7.158643776457912 | -7.05023195161756 | -7.056907020283488 | -7.249692375036236 | -7.338688253314033 | -7.352873307693721 | -6.946359746745447 | -7.275566271878797 | -6.90901493265222 | -7.5670137061477325 | -7.408490287089273 | -7.240258751524542 | -7.575525888797639 | -7.073450818369882 | -6.942645559517785 | -7.2351712465831435 | -7.418878905597341 | -7.243168727552665 | -7.033293291945097 | -7.0621411162533585 | -6.960424679138449 | -6.761097172448443 | -6.939777766403432 | -6.576186158182399 | -7.583693044485573 | -7.253911745498258 | -7.69174857626797 | -7.100635410027472 | -7.170572389881313 | -7.33193224680959 | -7.089861436159344 | -7.229171474804312 | -7.4924028041140405 | 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| 173.105 | L-Arginine [-H(+)] | cpd:C00062 | -1.5661242038681755 | -1.45998476299114 | -1.5848612440992542 | -1.6343915117271541 | -1.1543649362228043 | -1.4108443133041502 | -1.7002669612473789 | -2.0669174890929276 | -1.5551924166468871 | -1.7098008379122274 | -1.3496054854844266 | -1.188060928651958 | -0.8302478898174812 | -1.6402896232465625 | -0.9135584660280975 | -1.3650021786605122 | -1.988657298845058 | -1.7180268862437094 | -1.1220850201995727 | -1.6816032970474177 | -1.6125011913273828 | -1.6700829959613028 | -1.8367430359967867 | -1.7321551029514342 | -2.0158687777468325 | -1.1598311876034144 | -1.6227455332111604 | -1.4735947335408874 | -1.710426183565667 | -1.9177339898977621 | -1.6618785242297331 | -1.9889718958635525 | -1.6627437659525248 | -1.9695973212012903 | -1.7418392927191533 | -1.8018672874970671 | -1.3994623725686584 | -1.8542166658425572 | -1.7494416583967685 | -1.8833951264540423 | -1.8296252231508852 | -1.707423286760298 | -1.5146273710473745 | 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| 174.067 | L-Histidine [+F(-)] | cpd:C00135 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.713819651498318 | -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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | -7.9770968733704635 | -7.997339842021896 | -7.890795047297558 | -7.536164313042629 | -7.251430808219538 | -7.53625453708233 | -7.682110415819367 | -7.587504270145127 | -7.485138224869661 | -7.659085332997241 | -8.027616247428966 | -7.782461630027991 | -7.785673030628229 | -7.539795389079018 | -7.421892065605818 | -7.7276592643883735 | -7.815842115106887 | -7.731471873465855 | -7.700602058844425 | -7.37797568885001 | -7.650127614023765 | -7.777659499960681 | -7.536769316257789 | -7.372333260143728 | -7.703071066926934 | -7.651928542014661 | -7.47951884006988 | -7.9105333550870105 | -7.6171830283298325 | -7.567318004266979 | -7.554442461233476 | -7.646660333149941 | -7.516410859103333 | -7.7145706043808016 | -7.6078697582656485 | -7.8693077004250656 | -7.882913558355733 | -7.510400587808513 | -7.474568752659455 | -7.687943540490143 | -7.515399348624937 | -7.859842516320025 | -7.629962774016277 | -7.78281538106482 | -7.786245952546339 | -7.4663725101034775 | -7.703864777090712 | -7.759429640413238 | -7.4353766645014385 | -7.3060941829252855 | -7.5427066570580905 | -7.429581884238287 | -7.646057487949874 | -8.375096482759442 | -7.361649777014447 | -7.38944231845719 | -7.4557834243157135 | -7.481231580388077 | -7.499148584814951 | -7.662826284606118 | -7.141009853273145 | -7.2139588820651 | -7.642849172699876 | -7.495162683719311 | -7.813960630971099 | -7.793502656386332 | -7.706055185607375 | -7.549769363487238 | -7.7445286781848415 | -7.569531914911883 | -7.5890747973201504 | -6.660557068909107 | -7.722213423782462 | -6.8486253201581375 | -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 | -9.787641812406248 | -9.808985052839146 | -9.795430913210375 | -9.884606123544353 | -9.97344710378342 | -9.952923700648595 | -9.795750060288656 | -9.629388561020907 | -9.78304119523274 | -9.509543160750699 | -9.222243699360423 | -9.907634979930737 | -9.692589888091549 | -9.59942745615252 | -9.561091435642023 | -10.065895039286358 | -9.420330011633048 | -10.080465047151547 | -9.615222977702931 | -10.165535758951547 | -9.856212882107402 | -10.258803664864333 | -9.898655955617084 | -9.600882552473013 | -9.912188549611871 | -9.477056155181101 | -9.584200293194394 | -9.747714447287164 | -9.625557582659145 | -9.964433446998932 | -9.816791067504253 | -9.893519332310168 | -9.428169118453466 | -9.338718387026528 | -9.476102246770838 | -9.270818440366732 | -9.993069761457477 | -9.518744139162425 | -9.843269657700937 | -9.894127495943792 | -9.690745754321561 | -10.080675627377676 | -9.588339230725746 | -9.641780616261627 | -9.971195976732568 | -10.085712452065833 | -9.527552728868418 | -10.216711746438085 | -9.81865070223535 | -9.25912500953047 | -9.853676758703024 | -9.86877723193385 | -9.746346438548626 | -9.963877567384449 | -9.290782267395379 | -9.715121651669225 | -9.671170000237051 | -9.994333555592522 | -9.399945689006158 | -9.50434555346714 | -9.806334717362084 | -9.487152535887954 | -10.275641088607165 | -10.716724963997086 | -9.883222238697343 | -10.839906990918642 | -10.960459465439778 | -10.324756422019373 | -10.590731827512757 | -9.758093199446053 | -9.847915204477125 | -9.52378274433694 | -9.609923585692915 | -9.21215720288524 | -9.425064908015292 | -9.844545036574386 | -8.781868106416079 | -9.870727842528831 | -10.179333334895691 | -9.972986010574912 | -10.013177234161061 | -9.862789137862434 | -9.968796751792118 | -9.29647613170885 | -9.390085118438892 | -9.50125048677015 | -9.323132834769199 | -8.900957804161472 | -10.234852472555582 | -9.202738456579924 | -9.639802152510525 | -9.42228055394982 | -9.94454186881787 | -9.44856384700027 | -8.773682702726806 | -9.449755498698165 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | -7.612244017397919 | -7.687045195354556 | -7.7973847683270865 | -7.727506596482279 | -7.726893992611267 | -7.669103801682751 | -7.885561648803551 | -7.7556841719529555 | -7.605494823458 | -7.999269362584533 | -7.934387797927359 | -7.802597225616206 | -7.887232334472329 | -7.697084729053405 | -7.597183520479813 | -7.8135030335231725 | -7.748491270333665 | -7.8178339414536575 | -7.584999967050689 | -7.437528066275959 | -7.804655294927758 | -7.841479547766354 | -7.683158420048772 | -7.545871668545371 | -7.794308238147332 | -7.964487907935931 | -7.470578721560151 | -8.10371106081726 | -7.614648818638223 | -7.898520526053945 | -7.647524020657061 | -7.513408230090175 | -7.5894283234457784 | -7.764810129018768 | -7.705620765164084 | -7.545325970910333 | -7.680435575027059 | -7.916966908045393 | -7.78689054687699 | -7.966042521710316 | -7.687161153026266 | -7.947999016829897 | -7.721266425928674 | -7.8029571628271235 | -7.571830727878469 | -7.494855841906279 | -7.560281138161512 | -7.959827936494305 | -7.704530831216289 | -7.4151150976966775 | -7.581808256133974 | -7.454259128231313 | -7.757206012743796 | -8.065139428761903 | -7.751746624978955 | -7.711827606212378 | -7.600999576054845 | -7.75760837980458 | -7.666150816197134 | -7.748300262385619 | -7.7756464323437084 | -7.704438978069933 | -7.727006176374582 | -7.71773262563391 | -7.701033721867951 | -7.900177714871259 | -8.13739838183044 | -7.8698664775241305 | -7.798675891913176 | -7.620498275123313 | -7.484580864547105 | -7.384484637853009 | -7.69219163524403 | -7.643479548561585 | -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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -9.451637456286134 | -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 | -7.660360470334877 | -7.8436991943373835 | -7.442511979201124 | -7.567906659048294 | -7.743930231683126 | -7.79765598655197 | -7.75061574956145 | -7.58632275548079 | -7.773220007375324 | -7.853029540095707 | -7.75895371097689 | -7.61479844628731 | 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| 176.936 | Diphosphate [-H(+)] | cpd:C00013 | -0.3495165467492225 | -0.5652595821934441 | -0.1963359645249806 | -0.3491392998438447 | -0.9019483473552373 | -0.5023267441639262 | -0.030317850484802716 | 0.38294767716987077 | -0.49674105785426753 | 0.03202181143961484 | -0.1864759459930217 | -0.6557328646156572 | -1.134843321936802 | 0.06846724336195466 | -0.9698647939722477 | -0.8000745356518513 | -0.0804721857270098 | -0.46958559317302473 | -0.7798861293642108 | -0.4408685893065057 | -0.3201905755807351 | -0.6865104088755711 | -0.029859050778443044 | -0.4677668379802438 | -0.258903263599993 | -0.9450488212610875 | -0.20731342589196158 | -0.9126152430007559 | -0.052363566562563704 | -0.3801112262815102 | -0.3365673295169015 | 0.15125578452489605 | -0.17429081866189777 | 0.1325083593274976 | -0.15929405121367743 | 0.005144449652436557 | -1.0740137603217175 | -0.33680859068418617 | -0.5598000266056087 | 0.35583833103850065 | 0.3973272953346565 | 0.22102791916313208 | 0.2504805689687516 | 0.3423022913108305 | 0.2686248931087913 | -2.052661877930687 | -1.91221776795527 | -1.6308439418896843 | -0.22102583010502747 | -0.15790262272054706 | -0.10212384476504639 | 0.18029580648382598 | 0.11141799063875421 | -0.4326195865400866 | 0.18353329544213434 | -0.4409421220624074 | -0.17008017546905704 | -0.18954082586594323 | -0.08412049285485296 | -0.03904877050553231 | 0.22424025782556514 | -0.006623404119801124 | 0.2646758596278238 | -1.148062356809184 | -1.4091407728020777 | -1.3888529342187563 | -1.5676905536606132 | -1.452388339722885 | -1.54654486668086 | -1.4542997148375887 | -2.0163649952351035 | -1.4227404053250605 | -2.11052266240075 | -2.051702429999508 | -2.4030871317822724 | -1.9696808951325533 | -2.0614585679088355 | -2.3570988678025806 | -2.3715991716639864 | -2.787923416946847 | -2.9450423466178797 | -2.4720844305490557 | -2.671701410439392 | -1.9156747179413278 | -1.6242341675552614 | -2.352982470278757 | -2.2861369175106825 | -1.9054317111940187 | -0.7358613463615419 | -2.083901764741415 | -2.1212457213368547 | -1.836890710632651 | -2.3548578017620505 | -2.2692283436831824 | -2.764090583539886 | -3.2007117894019443 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | -4.012628767597097 | -4.0343403601233545 | -4.054124490608768 | -4.160506540906402 | -3.8630683113748563 | -4.027828072469153 | -4.086140613242461 | -4.370674139727209 | -4.029449164864703 | -4.23602662047418 | -3.931390642170607 | -3.889392066721707 | -3.653644638543904 | -4.1224266861821866 | -3.7817364368794624 | -4.23781121916808 | -4.390582023937271 | -4.241637561177351 | -3.950485861453051 | -4.175808023024576 | -4.208204040331605 | -4.371455025700606 | -4.478172179375587 | -4.3446916944791685 | -4.599403057968105 | -3.839693691433583 | -4.243974669723396 | -4.080163748225433 | -4.568399680147155 | -4.371061095963444 | -4.027345243209115 | -4.242443409002943 | -4.088894412226546 | -4.094329588683021 | -3.900235569260745 | -4.117184448333552 | -4.11237125302666 | -4.230984170183995 | -4.3153921719865815 | -4.114995801024088 | -4.086278414077398 | -4.122303756469918 | -3.8516096472554544 | 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-3.6484539442281747 | -3.5733084156975967 | -3.293590436847018 | -3.098852886818322 | -3.1086926301697364 | -3.7006765758726505 | -3.670519175582664 | -3.783980973398708 | -3.4860420400706253 | -3.345545986750137 | -3.2558711621575913 | -2.9323815259804746 | -2.8235202948371634 | -2.5976774536515728 | -2.6923007232417446 | -2.6092718688603713 | -2.6048872574531923 | -3.041950788554253 | -2.7670626888289824 | -2.68321466333831 | -2.7306355629012597 | -2.688290177250863 | -2.711579553338966 | -2.762105914710171 | -2.910920670756738 | -2.9526573449365845 | -3.0174380855719307 | -2.844826831561952 | -3.0380795583961877 | -3.191112822982343 | -2.9359285982031027 | -2.963596941682097 | -2.95640496528202 | -3.0362640087450843 | -3.0005135053510816 | -2.718384938531192 | -2.5799663789216805 | -2.795866649139242 | -3.049143080255671 | -2.747374846494724 | -2.8959815207614916 | -2.978387802816644 | -2.730942742114537 | -2.5082036590139904 | -2.4714744688710817 | -2.8994494057948472 | -3.1315048119789597 | -3.066070972093765 | -3.0495981395985905 | -3.074592165470306 | -2.9287355048246493 | -3.1080631034455903 | -2.9778343485758456 | -3.043347591012096 | -2.971370868690579 | -2.9843450715876507 | -2.8816258663045327 | -2.817208709944517 | -2.9398710568587823 | -2.8394471527178364 | -2.9529919707686885 | -3.4659043496011153 | -3.3198806482582177 | -3.5179781688645284 | -3.335506000350239 | -3.3202717262356316 | -3.3359731991775696 | -2.7838903852145016 | -2.9868208600274304 | -2.8817406852125838 | -2.839471358055104 | -2.6632382546368074 | -2.8499245700478912 | -3.3907576905017436 | -3.3455260731596645 | -3.1732468735440804 | -3.0687214460956693 | -3.0966267697606225 | -3.1592373879101885 | -2.8768899210271544 | -2.6845573170785615 | -2.850825384737509 | -3.339572878958356 | -3.5015248649714046 | -3.460918661010423 | -3.4947336571089664 | -3.39565925698015 | -3.4147126013560762 | -3.4705633370939735 | -3.4654267687066778 | -3.463698042595041 | -2.9425730646652295 | -3.200182165581295 | -2.81326625376677 | -4.76110959719945 | -4.774965409679625 | -4.450318591325662 | -3.0065624926895733 | -2.3035715922700764 | -2.7012098831125333 | -3.149758546144094 | -3.3553825671597477 | -3.2004888895173766 | -3.6174877176151896 | -3.299059200089821 | -3.299042113939349 | -3.162301845663833 | -3.3698694872975645 | -3.021802600486377 | -3.2214163802526263 | -3.2413816464494025 | -3.468102602447776 | -3.236683220190311 | -3.0471821972209376 | -3.3388662962179114 | -3.453230131546536 | -2.9884446790369634 | -2.936913112465125 | -2.750181568707266 | -3.0006060519147475 | -2.8771459101926387 | -2.8899025211011904 | -2.5105269444934346 | -2.7216787018815567 | -3.4143395061981656 | -3.140816997546369 | -3.536292011088894 | -3.6257943864867426 | -3.4252105853724406 | -3.096681279204829 | -3.4822063675920223 | -2.364232586697322 | -2.766956849026381 | -2.854613598835922 | -2.677717490153241 | -3.190613081725735 | -2.696149159439326 | -3.4639031804938125 | -2.911554803625852 | -1.7201625295017677 | -3.473553027954505 | -2.9359654958563026 | -2.8900233829970925 | -2.5654330227772846 | -2.665340525367419 | -3.2360385490352286 | -3.5741840235131423 | -2.9587815147373986 | -2.8310207545628856 | -2.4482622976779345 | -2.6223755639326423 | -2.583195747149636 | -3.0010475521732674 | -3.385240725972805 | -2.3818607435161385 | -3.170820299426506 | -3.231145503410308 | -3.215688057102359 | -3.487659906657665 | -2.6904749047114898 | -2.937537260963382 | -3.1836112562415146 | -2.7335092954080635 | -3.0332714027402203 | -3.2643787455764532 | -1.0801163470576682 | -2.938339179182299 | -2.4250055073957877 | -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 | -3.230468543007951 | -3.207009759300045 | -3.3709107388527038 | -3.2357521157136917 | -3.0049736779228153 | -3.1648309278327384 | -3.1530831006344053 | -3.404552024781226 | -3.148554196870416 | -3.1654413885940857 | -3.199747691545235 | -3.1806001589534407 | -3.153980903350642 | -3.3832235353594737 | -3.1187977953802206 | -3.1064521149648554 | -3.5602017680396933 | -3.2817455122642643 | -3.109202065925043 | -3.306799388620568 | -3.176802997554952 | -3.366922537083349 | -3.524103361724194 | -3.303651040786114 | -3.268466692827658 | -3.219139858372851 | -3.2799389107750674 | -3.2099539428700887 | -3.29408772520602 | -3.292577856803347 | -3.307366518358394 | -3.538004607059059 | -3.495370649388496 | -3.538781174176529 | -3.4673126894207362 | -3.436753520893774 | -3.183128605295963 | -3.3845011895673762 | -3.294753347882992 | -3.289679573988052 | -3.258169305587764 | -3.186749815182698 | -3.151732035355641 | -3.1123249156723376 | 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| 181.07 | Mannitol [-H(+)] | cpd:C00392 | -6.092902029804162 | -6.068005447782498 | -6.310287367520626 | -6.0899970604724984 | -5.999100703610818 | -6.058092387865379 | -6.251689828769881 | -6.291739032877125 | -6.106601021916254 | -6.153927135992888 | -5.96110201469346 | -6.199121405217303 | -6.261951560515264 | -6.115442316168197 | -6.124056102042529 | -6.1700544997171125 | -6.192031831842059 | -6.3348931959770285 | -6.0651689421353305 | -6.10712241632287 | -6.185551482748213 | -6.239473003708834 | -6.360906346696525 | -6.333921388802705 | -6.288408278482461 | -5.892379478006642 | -6.141514228815326 | -6.247245591667717 | -6.238900072538631 | -6.20221967022218 | -6.387841508259538 | -6.088009143382365 | -5.953980945088523 | -6.035410095999092 | -6.000009071903676 | -6.196570264324456 | -6.3049017863352645 | -6.1120235687114475 | -6.30517421249951 | -6.034931564086269 | -6.078934121275324 | -6.086517926085078 | -5.781820357107229 | -6.142285321255198 | -6.090291244252398 | 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| 183.067 | Choline phosphate [-H(+)] | cpd:C00588 | -9.081848446447141 | -9.412499323321276 | -8.86260846876834 | -9.34306890207525 | -9.333215530944836 | -9.209473613022904 | -8.934803088433217 | -9.135741948171077 | -9.342149092486265 | -9.091026124123578 | -9.07964085710791 | -9.134133246724343 | -9.039924586400916 | -9.003804054017838 | -9.255074525154509 | -9.340520195730724 | -9.064121392828282 | -9.323515898766022 | -9.179330330786538 | -9.03616108813004 | -9.315680410299322 | -9.330461632750302 | -8.943073939089743 | -9.144497405585483 | -9.151916324760414 | -8.991017616610181 | -8.845813532454748 | -9.359207076033027 | -8.66359936047311 | -9.172863783864589 | -9.035578933150257 | -8.688479717173923 | -8.92298769641286 | -8.537579505653602 | -8.602951588618767 | -8.592507779606283 | -9.177141275633685 | -8.938697323683034 | -9.190583073218894 | -9.310181539632291 | -9.25397417186816 | -9.150304895466904 | -9.208036093425395 | -9.464350597215546 | -9.235525336819682 | -9.608979731287414 | -9.743548492067335 | -9.682778416737454 | -9.259430151146947 | -8.72854078892456 | -8.979381266801946 | -9.242658469606216 | -8.902844517167336 | -9.041628567213245 | -8.776835293349246 | -8.890013200798446 | -8.820904464574898 | -9.376219300693124 | -8.986656858292477 | -8.996051494474237 | -8.930953680038892 | -9.024837408952727 | -8.81941920103746 | -10.054426475387105 | -9.879337037031425 | -10.129635856406125 | -10.483390472308363 | -10.187607673526587 | -10.336743141866362 | -9.141754894584903 | -9.220189319448966 | -9.003420062894207 | -9.111947525145556 | -9.097217029603849 | -9.430010243058058 | -9.0341375594268 | -9.38151585929501 | -9.59087687248699 | -9.667219935755506 | -9.738082658497035 | -9.733594813171385 | -9.481710508173535 | -9.270047421138825 | -9.029042580924337 | -9.17206972645539 | -9.253894952616204 | -9.453458118523434 | -9.415773622105323 | -9.393788178161737 | -9.298967736087262 | -9.10834551231819 | -9.019833221835988 | -9.197525011061181 | -9.085877060989626 | -9.117978380561786 | -9.208123021960036 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | -8.43868203401831 | -8.753455229007423 | -8.298602737245853 | -7.5029491375640855 | -7.4524712780451745 | -7.634997894790373 | -8.000315655978826 | -7.852647290448735 | -7.777869310152416 | -8.433760938832016 | -8.242260292858846 | -7.958808536346712 | -8.046712479328564 | -7.690844633196605 | -7.685636283999775 | -8.121969145859133 | -8.0408591325146 | -8.12557824329436 | -7.997418667661585 | -7.703549794169975 | -7.792293166445922 | -8.451201960652169 | -7.823435158069626 | -7.468159078189181 | -7.957401544642906 | -7.908447895116376 | -7.540917858826582 | -8.122996141935381 | -7.816258694122717 | -7.4329801851190105 | -7.842537944888153 | -7.7894714705935835 | -7.847766514182379 | -8.107769442139434 | -7.782856332418565 | -8.454914268966762 | -8.106712613603603 | -7.724831916552592 | -7.902412215937893 | -7.844888594126845 | -7.482254095708544 | -7.916917969742148 | -7.81133858464545 | -7.9719735164169485 | -8.180230547517075 | -7.347690665985621 | -8.018059985032897 | -7.743285526421124 | -7.616664113112287 | -7.296195358163189 | -7.750209063405417 | -7.783714599110839 | -7.918049776639841 | -8.56527156814836 | -7.382770396802038 | -7.3776824698123225 | -7.442985045404902 | -7.416722820494678 | -7.69914130031894 | -7.947216991245811 | -7.163076851524685 | -7.404247625636777 | -7.906469220366435 | -7.943381240054858 | -8.249534202245421 | -7.805253515502736 | -7.8134310462219725 | -7.712666738648492 | -8.280051869598706 | -7.820907350971902 | -7.889577447436068 | -6.4282979254600185 | -7.968409171149976 | -6.93844899685943 | -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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -6.144173985094682 | -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 | -5.34694109870648 | -5.1847311447993265 | -5.036788927418077 | -5.705106776224751 | -4.962483139630868 | -5.197328589903047 | -7.113511573199291 | -6.012757759458505 | -5.289006181834151 | -5.776799077127287 | -5.605118217083716 | -5.741378280942029 | 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-6.380402122889137 | ||||||||||||
| 184.988 | 3-Phospho-D-glycerate [-H(+)] | cpd:C00197 | 2-Phospho-D-glycerate [-H(+)] | cpd:C00631 | -7.923085157326356 | -8.267178047927544 | -7.9035376180975465 | -7.768417190461892 | -8.02542425662195 | -7.869074111904856 | -7.695979393705419 | -7.569322732894147 | -7.911001836022679 | -7.448074892228656 | -7.801024969055357 | -8.395486189118463 | -8.975746662495443 | -8.020784123640269 | -8.563607394271015 | -7.083959539974739 | -7.111625590734945 | -7.433913767891815 | -7.639102529798829 | -7.3234234652040655 | -7.503559860473197 | -6.9350273107634095 | -7.015983486928848 | -7.237070333559973 | -7.250669664038868 | -8.05603643136232 | -7.5512049991031365 | -7.553999480256867 | -6.938120654789529 | -6.968513009661503 | -7.919166336360641 | -7.730767746804381 | -7.970887597007939 | -8.328774007270852 | -8.723665932038307 | -8.680834064693592 | -7.917916064892959 | -7.689404481845865 | -7.9414007126805615 | -7.617651505870365 | -7.721155116991747 | -7.915714969885698 | 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| 186.058 | Pyridoxal [+F(-)] | cpd:C00250 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.740636964543825 | -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 | -6.79665660278489 | -6.881563166363192 | -6.489359860649435 | -7.101631944733774 | -6.886799077051551 | -6.771673642074726 | -7.83635760201421 | -7.16103856194254 | -7.130322661397309 | -7.383009183926168 | -7.155152360912522 | -7.1363867843318705 | 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| 193.108 | L-Arginine [+F(-)] | cpd:C00062 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -9.064660331588517 | -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 | -7.4924060519476505 | -7.533737027273698 | -7.113701713548984 | -8.013318585183146 | -7.490892928993421 | -7.533905177680576 | -7.669001724920136 | -7.797073307432494 | -7.715885672110303 | -7.975177832871052 | -7.799795940117358 | -7.819100201451188 | -8.080753679689517 | -7.876660618319233 | -7.8907596629680175 | -7.9344533656502865 | -7.758367575162886 | -7.987079904824059 | -7.514057447048957 | -7.382668660479862 | -7.707612107905516 | -7.921926581297725 | -7.467719508773764 | -7.915593579409516 | -7.19752561730264 | -7.431181259033236 | -7.986746453750338 | -7.82351720908607 | -7.309446897826474 | -8.168476406803697 | -7.343732942056821 | -8.009802069225982 | -7.970700799606274 | -7.5248763626066975 | -7.610224177396658 | -7.68918299414395 | -7.447110648247165 | -7.810267225625551 | -7.874413348238383 | -7.836195430770637 | -7.852133795441179 | -7.917309741362497 | -7.573952282938417 | -7.870622353990612 | -7.481137923730632 | -7.650209283372514 | -7.726343566598631 | -7.618820268463056 | -7.665205962928625 | -7.608740419308844 | -7.593850963139098 | -7.574932305459486 | -7.749632924804082 | -7.276499932093688 | -7.3091731428256095 | -7.37404170502437 | -8.06142931384026 | -7.860473378554205 | -7.501820333088717 | -7.963996291885187 | -7.774008520756718 | -7.476456191228656 | -7.979133255842954 | -8.069853412221264 | -7.762344282040709 | -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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | -5.648632341067973 | -6.912466146915543 | -6.586005603209843 | -5.0457807882289245 | -4.86923582973923 | -5.148019681438002 | -5.701101334217687 | -6.340014729218069 | -6.318877219825749 | -6.413245881864778 | -5.088772693063065 | -6.103521885663681 | -5.988769771012123 | -5.7355798649517356 | -5.428429206676875 | -5.442515295586781 | -6.031506470959788 | -6.679062358470555 | -5.803864908119561 | -5.9553225900641875 | -6.416815250389061 | -6.476903737844314 | -5.53987988304749 | -5.62834674216179 | -5.982886275040062 | -5.669090432032489 | -5.958016579773044 | -5.795484365878302 | -5.316021935617029 | -6.06412909868269 | -4.952814846433425 | -6.486184616989234 | -5.907849759591215 | -6.115999740296246 | -5.887108402418966 | -5.9070839046506896 | -6.291355105837335 | -5.513906370585153 | -4.9183078967995515 | -6.148630117457297 | -5.1429154887994315 | -5.7838917588744065 | -5.161980187157905 | -5.173196707725799 | -5.508524298609596 | -4.831951599117707 | -6.346736591609868 | -5.958425465351592 | -5.589439743751517 | -4.36477996929959 | -5.042618061801341 | -6.201149992719984 | -6.578552049210239 | -7.389729859725848 | -5.965053872493998 | -5.196084456656962 | -5.4840683597097 | -5.975073386413703 | -6.111884284129914 | -4.108668024771859 | -3.0901670408516724 | -3.601223569117602 | -5.979971465947882 | -6.342884975983849 | -6.401138026575462 | -3.891283096982966 | -6.070013768059314 | -6.496456700173639 | -6.053650253162741 | -5.6289648088976465 | -6.548335442037044 | -1.4247276119610122 | -5.547076540769867 | -2.786339392128521 | -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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -6.733670835506208 | -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 | -6.4092372675156515 | -6.259483905147126 | -5.971053023741193 | -6.864985360824976 | -6.139844506239302 | -6.15685905746081 | -8.256014896109662 | -7.1632109229327945 | -6.444518972676343 | -6.929242100222835 | -6.823310679218792 | -6.933161174877679 | 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-7.138110110127113 | ||||||||||||
| 195.029 | Ascorbate [+F(-)] | cpd:C00072 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -9.890900570218166 | -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 | -7.547623580297143 | -7.893955061597876 | -7.299942646258304 | -7.529673143730546 | -7.927081787906335 | -7.8207440887666335 | -7.57270299560884 | -7.534863904823686 | -8.040725219863669 | -7.982575498178935 | -7.767294105451046 | 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| 199.002 | D-Erythrose 4-phosphate [-H(+)] | cpd:C00279 | -7.686845358379978 | -7.723148131408279 | -7.578546382244281 | -7.7296468177856115 | -8.03794707089726 | -7.943701156790886 | -7.481674192524466 | -7.390100702303944 | -7.849977341975706 | -7.407956009504782 | -7.516774475069989 | -7.647995496654148 | -7.954534912765148 | -7.448430993882113 | -7.871421979730774 | -7.975847451663173 | -7.602821432720552 | -7.711529215461375 | -7.82677208994268 | -7.607704461590788 | -7.726849503315687 | -7.911162582486641 | -7.5349237056257925 | -7.8810991401878505 | -7.862802200625297 | -7.867174196102164 | -7.5384023570212495 | -7.895927221658378 | -7.514828058835339 | -7.741353036233132 | -7.588164410350548 | -7.292545468485413 | -7.390313271746203 | -7.167466293146277 | -7.399283449824043 | -7.429446237908562 | -8.060558999736324 | -7.582373146608478 | -7.856068145659762 | -7.3892079898949055 | -7.421370181704012 | -7.3564460548716095 | -7.319289062155493 | -7.274334075895475 | -7.297567006842248 | -8.476138418792345 | -8.438595578919356 | -8.426562592015095 | -7.429246453492289 | -7.565870233493622 | -7.504561168473407 | -7.456300063923969 | -7.379829255568395 | -7.590578862430423 | -7.209622214824996 | -7.66220440271098 | -7.4592281311204784 | -7.682828621856301 | -7.531593379135746 | -7.4784034007979905 | -7.389920806999239 | -7.523036684503337 | -7.3468985964776055 | -8.484263256620247 | -8.441432651390754 | -8.392912127176555 | -8.843503631718109 | -8.560618442351494 | -8.769589844314405 | -8.134821704506926 | -8.476881795960756 | -8.074731130050628 | -8.689029134284556 | -8.480511833420612 | -8.145285254381843 | -8.337775926779534 | -6.482379776442127 | -8.730467651988993 | -8.758702473962076 | -9.094064298437297 | -9.204638893588038 | -8.812083837299298 | -8.877009303264801 | -7.819171814414795 | -8.199214410330166 | -8.58291867011514 | -7.972755641439768 | -5.718332547029197 | -8.028501154515329 | -8.528780148687956 | -8.594327245225225 | -8.29515580401406 | -8.768281863238544 | -8.518683090473015 | -8.582575467042014 | -8.908965534315962 | -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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -6.932896945092571 | -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 | -5.790881204175004 | -5.602247287809808 | -5.04967496478972 | -5.8072458642562745 | -5.602570565811597 | -5.329659740892975 | -6.931007744460994 | -5.605528275244028 | -5.648891089741866 | -6.490932710774314 | -5.656237813134677 | -6.540981487855357 | -6.7429932373039705 | -5.460550288725805 | -6.125530351566243 | -6.1798037542409405 | -5.691469507232173 | -6.392643528487964 | -5.7315172537866985 | -5.7021332508216895 | -6.924486316358686 | -5.692340364605256 | -5.720139505193703 | -6.094922963665519 | -5.2883147173641545 | -5.398194363981934 | -6.149590226171669 | -5.541138690424945 | -5.4276330677747655 | -6.073225035057376 | -5.029088443473981 | -5.536613161118766 | -6.1776925240468294 | -5.972071599615415 | -5.559872682474194 | -5.6076607715292175 | -5.604787773885362 | -5.749070756253339 | -6.677938972829315 | -6.061724947957584 | -5.694497989410268 | -6.100630737573336 | -5.5269368325470305 | -5.648960571879788 | -5.68716557639153 | -5.343878460274333 | -5.918392978364875 | -6.604405368016711 | -5.150663443080698 | -5.248759354451586 | -5.398027154423195 | -5.284211394794228 | -5.408612601761735 | -5.446474791678148 | -5.715154715358537 | -5.787310108614706 | -6.50099066105828 | -5.453138086413151 | -4.984367825404938 | -6.019187926352146 | -5.614797526534872 | -5.552536319142097 | -6.388496727861774 | -5.606786655278662 | -5.37591675251631 | -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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | -7.735891198969625 | -7.794705982983002 | -6.812975321541339 | -6.178341595503959 | -5.417080391039902 | -5.577144785268742 | -6.227137046872964 | -5.9411465664189125 | -5.818473805632221 | -7.5291887225158804 | -7.247895960987897 | -6.621423316835404 | -6.6468403542768195 | -5.676164293229188 | -6.020390626133026 | -6.866896263953656 | -6.726324437895358 | -6.229961599943183 | -6.451280340777682 | -5.77327944325523 | -5.851771273005473 | -7.208878354496512 | -6.216977223548723 | -5.578665257975529 | -6.779052353765121 | -6.497360551678451 | -5.571378242326608 | -6.7803699565797775 | -6.310172977231051 | -5.356327041469107 | -6.238490353653323 | -5.685233517354753 | -5.922740786681471 | -7.1875539056650055 | -6.209620351695582 | -7.733211127030481 | -6.735841708220306 | -6.243995625575961 | -6.642958240412807 | -6.4869010722351454 | -5.4759922374000425 | -6.596582418517208 | -6.40463481991325 | -6.180141939300051 | -7.280940964307085 | -5.9084470392037565 | -6.291054012236688 | -6.257621862224236 | -6.083450749111479 | -5.327723826170797 | -6.212216479675197 | -5.783971928864895 | -6.013500500300874 | -7.843483885152199 | -5.368832193656273 | -5.271945479188255 | -5.403841044343183 | -5.399642870285825 | -5.6199080927020875 | -6.950734746619263 | -5.616376555405389 | -5.709725831432066 | -6.1573949775997265 | -6.01224551702086 | -6.790757412974409 | -6.530658591239895 | -6.398745291791954 | -5.714788645695745 | -7.458674726489875 | -6.4770145256812395 | -5.963238104453437 | -4.9877671499994385 | -6.644948878842869 | -4.970588213902063 | -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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.578592851717187 | -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 | -6.5287965701260235 | -6.59661646055302 | -6.336501466070552 | -6.864244150791845 | -6.612108437987872 | -6.602752245559037 | -7.473275049169444 | -7.0815391253009 | -6.869085670056475 | -6.912293586613428 | -6.867507710467317 | -6.859413179637465 | 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-7.009910753663853 | ||||||||||||
| 201.078 | Mannitol [+F(-)] | cpd:C00392 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -6.844520536686005 | -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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 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| 203.068 | Choline phosphate [+F(-)] | cpd:C00588 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -4.918067065145694 | -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 | -4.411784803758469 | -4.154924252428021 | -4.163177913019592 | -4.394676086215887 | -4.209337400846005 | -4.4171609540816315 | -4.959235095296051 | -4.970456717978806 | -4.123988966084433 | -4.616505680964164 | -4.206604982802595 | -4.335902190644663 | -4.313530753529651 | -3.9984514330077507 | -3.990218308840779 | -3.90062576858674 | -4.188038494600412 | -3.9265000978809392 | -3.7965334495456253 | -3.962307980380628 | -4.5775181437769294 | -4.177042719117553 | -4.074956897145969 | -4.237384161965889 | -4.8651757209001385 | -4.470084699788011 | -4.220735047230992 | -4.582328909230879 | -4.357496391433041 | -4.03507610855305 | -4.985419097668167 | -4.045635524142794 | -4.422903283119206 | -3.816954652216341 | -3.9366001513294937 | -4.110996313159654 | -3.842018986781627 | -3.738200316364912 | -4.044967630340569 | -3.9759386621211097 | -3.7784137315467676 | -3.8675590214317808 | -3.956222779273423 | -3.7968036433696897 | -4.069486052509355 | -5.048925171314213 | -4.04028927365982 | -4.364825052221093 | -3.82049638832333 | -4.339794673131147 | -4.369201848374731 | -4.0361291906199 | -3.997039665488712 | -5.412789913192159 | -3.8719878735553843 | -4.178710122955352 | -4.34439182666432 | -3.995361695319156 | -4.669037632094592 | -4.364068068738523 | -4.0083963067300985 | -3.866197849774045 | -4.591919581698505 | -4.501540686136596 | -3.995654324075158 | -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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | -4.532104555702153 | -4.550581151901103 | -4.264349804449526 | -5.149597336133684 | -4.784443510987225 | -5.005252676872346 | -5.590343201561538 | -5.54002987521114 | -5.248716438828201 | -5.2012014726874884 | -5.1646584638239785 | -5.11354138135232 | -5.114604169737014 | -5.198819875222371 | -5.148234871645172 | -5.084590263212057 | -5.364260522795138 | -5.406338064187697 | -4.959268118601402 | -5.145392799535855 | -5.225807338967728 | -5.403777249411045 | -5.17053631275229 | -5.275719894490326 | -5.345076205481373 | -5.741757009515153 | -5.012157675644084 | -5.667925680862214 | -5.204964947652079 | -5.778030752662802 | -5.455372961608106 | -4.971876389117625 | -5.0513128017750875 | -5.3647656725065005 | -5.0763245143299045 | -4.54190228466747 | -4.923953836309577 | -5.659464046360399 | -5.762057448854848 | -5.635277175436698 | -5.759746006581864 | -5.452847452669783 | -5.071426920127301 | -5.212352707461834 | -4.881947779372496 | -5.039299867660582 | -5.001900895794861 | -5.746552392051097 | -5.376645495939128 | -5.2175435893446656 | -4.89371439825769 | -5.111182258939948 | -5.4681364146007985 | -5.266270712020197 | -5.697745277365831 | -5.354655038404551 | -5.152924796186169 | -5.551036997758957 | -5.111069613978784 | -5.034491756742491 | -5.217953938558363 | -5.274578541889987 | -5.11258373617444 | -5.1388566543772125 | -5.111989158878292 | -5.926524672958826 | -6.096568502472099 | -5.596042792924564 | -5.319417382439699 | -4.803216608255585 | -4.801135659820695 | -4.734294377742572 | -5.527755173543771 | -5.454122259455401 | -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 | -3.7890969531445235 | -3.751757260204246 | -3.7711709792585975 | -3.8537166344239253 | -3.524219902285341 | -3.665708698151154 | -3.5116566211600255 | -3.821120743951704 | -3.6818108789933093 | -3.642383792571832 | -3.6388461924239497 | -3.677864520197558 | -3.550583826906579 | -3.833287929152942 | -3.696894057035709 | -3.7575800555813013 | -4.074678598770409 | -3.7536889128251967 | -3.613881746540777 | -3.8765287354839613 | -3.716450749388947 | -3.989623389542132 | -3.95107151307602 | -3.790229958288074 | -3.6976626316842927 | -3.534978715548438 | -3.757194857971907 | -3.803112063514795 | -3.8271687343985836 | -3.8443201363411705 | -3.7094665022318623 | -3.974208736168721 | -3.799965621898902 | -3.8863959911911827 | -3.776192512839351 | -3.733947527861852 | -3.6431525545734087 | -3.8462454161861808 | -3.7719511720252195 | -3.8250809533824497 | -3.7993016410702056 | -3.829292164462196 | -3.527305308222936 | -3.598728608155389 | 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| 204.053 | Lipoamide [-H(+)] | cpd:C00248 | -8.881005420367542 | -8.916430477447733 | -8.850810992911047 | -8.905732498285655 | -9.085169892597836 | -8.840898923839978 | -9.029001027432939 | -8.71761512820694 | -8.993997407517913 | -8.764907648978632 | -8.627465430054555 | -8.989291323523558 | -9.264624338917345 | -8.499109791164523 | -9.03009487125607 | -9.108866268994447 | -8.975869567402833 | -8.907618607578781 | -8.820599894350211 | -8.88212512504872 | -8.887112550800119 | -8.855654886901972 | -8.766600508071468 | -8.91132857108749 | -8.96428698178119 | -9.305831030583864 | -8.628079600712475 | -9.178820077878507 | -8.962812018881953 | -8.876715020750469 | -8.980618864302045 | -8.647367239469952 | -8.645908589467021 | -8.25455990328174 | -8.575518918602778 | -8.57534051039687 | -9.185896840403354 | -8.828793516697198 | -8.77325603345747 | -8.701195199738882 | -8.54828047328959 | -8.712428661377642 | -8.863073585815584 | -8.707113569164077 | -8.664634067241655 | -9.421493826260866 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| 206.068 | Dihydrolipoamide [-H(+)] | cpd:C00579 | -8.694213048296923 | -8.69554255146382 | -8.763445156199966 | -8.893971762915845 | -8.654480797639309 | -8.791353630991727 | -8.78211500888319 | -8.80355413852708 | -8.831718042492268 | -9.070716158267231 | -8.658632730636942 | -8.736907908845053 | -8.581618275352017 | -8.686981723150195 | -8.682305841792735 | -8.82308015567728 | -9.072943868180651 | -9.113849092634567 | -8.571743628757424 | -8.917528569507134 | -8.678014061002587 | -9.027016373220537 | -8.874655251843775 | -8.897108877535574 | -9.100631201524378 | -8.536815351010247 | -8.65541677166509 | -8.714815525031796 | -8.857933374682364 | -9.303666116120688 | -8.88560667711471 | -8.89178274069587 | -8.770611252999895 | -8.711747146545763 | -8.948993225041567 | -8.826670972150037 | -8.90029702902173 | -9.041581617576751 | -9.150712290646508 | -8.820178965158066 | -8.97039632421024 | -8.998469798021121 | -8.805031282932624 | -8.825468021568168 | -8.877523552209906 | -8.726964998849311 | -8.97787222820273 | -8.868201246294033 | -8.806908495775454 | -8.044105285890005 | -8.654293384113874 | -8.862434853308583 | -8.89512076011863 | -8.635950477693362 | -8.018593070308384 | -7.675881255424958 | -7.9193434351057155 | -8.884946728409219 | -8.689073269175195 | -8.916024189893513 | -8.77089113670467 | -8.800075155805272 | -9.075890071519085 | -9.639541410829262 | -9.221059106705994 | -9.341673138934372 | -9.914843786829714 | -9.491182354381658 | -9.688370348845293 | -8.775324156446224 | -8.655306226339686 | -8.600190483475881 | -8.119520108655491 | -8.145505249120559 | -8.245105566558816 | -8.214157230312555 | -7.317735525777946 | -8.274257065232234 | -8.729750798010423 | -8.754171917313458 | -8.71951499039065 | -8.640486897184065 | -8.596469098903487 | -8.168420120322033 | -8.463808886602695 | -8.433847161240696 | -8.077728926981345 | -7.664203308262891 | -8.968256720165467 | -8.542960448687717 | -8.182275564550688 | -8.363186124490593 | -8.41996328391044 | -7.977236207971252 | -7.5878291038929175 | -8.58571977889136 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | -8.478134698872275 | -8.511758393033471 | -8.318104884200446 | -8.348084284846994 | -7.778051923763614 | -8.101384853681887 | -8.367512862025158 | -8.366064012210243 | -8.240600743996916 | -8.468249777368175 | -8.422591381475069 | -8.330236194453965 | -8.341023202703663 | -8.36456089710911 | -8.262759527947914 | -8.305767427447448 | -8.3014779627036 | -8.454214904663685 | -8.34526899187622 | -8.363495468373022 | -8.32008656188691 | -8.247463965635452 | -8.279715277414184 | -8.191998524741884 | -8.364126510359519 | -8.350713283032574 | -8.259453957645471 | -8.321819716031758 | -8.200443658102156 | -8.30066086536778 | -8.420401748019916 | -8.371932563437575 | -8.36140414042008 | -8.394886845827182 | -8.366595404942034 | -8.22996200518615 | -8.52630974342827 | -8.194489580344362 | -8.187043857822713 | -8.298027993871035 | -8.287845748802082 | -8.410846257804337 | -8.192477168361009 | -8.389385212761923 | -8.152858788967707 | -7.955939967271028 | -8.407066719792212 | -8.27660825502532 | -8.359001413654342 | -8.073172142075343 | -7.96688879817078 | -8.24425571776394 | -8.510646322254013 | -8.422523434967344 | -8.198248276839687 | -8.269818667948162 | -8.168339540112147 | -8.321983484474075 | -8.347286244741433 | -7.902077514902828 | -7.49284528301672 | -7.934857478308071 | -8.403491334228493 | -8.428085702163514 | -8.353068466310418 | -8.21722902230779 | -8.372375833029393 | -8.57278669402177 | -8.196221084097532 | -8.224442231822335 | -8.329635276879984 | -6.506234734928585 | -8.280259297658203 | -7.301423441011853 | -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 | -9.787265290055409 | -10.035928676168322 | -9.719775955578926 | -9.701809106886703 | -9.882723031547133 | -9.766380245384331 | -9.768744204655563 | -9.303227114231262 | -9.96868671268521 | -9.600735691224948 | -9.65733508338245 | -9.727314729762492 | -9.896242800634239 | -9.682377074743949 | -9.79959494396388 | -9.490693062717185 | -9.65058755313871 | -9.542702468261641 | -9.77866667258996 | -9.877523050460077 | -9.743345315407744 | -9.606232354983993 | -9.822193305079995 | -9.7242020337748 | -9.486108486275684 | -10.185930829363075 | -9.67553241519686 | -9.850899846137459 | -9.794109694540303 | -9.77355236379583 | -9.799365100784875 | -9.571777217794814 | -9.77911290753869 | -9.700861999378118 | -9.975827598085822 | -9.920655308324516 | -10.010865136310267 | -10.06094258318259 | -10.111632792086949 | -9.503824202960237 | -9.499842470285998 | -9.41030081113414 | 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| 223.086 | L-Tryptophan [+F(-)] | cpd:C00078 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.315183571275581 | -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 | -6.711445055612455 | -6.789737695320302 | -6.659042671151962 | -7.210238434903111 | -6.733320500889298 | -6.777626370035011 | -8.101650529748401 | -7.409200466156768 | -7.038150875414138 | -7.082397306056656 | -7.389659129949556 | -7.164463130221017 | 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| 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.210498032958132 | -7.5484021839278395 | -6.932914692438863 | -7.465154226954231 | -7.4787227183805545 | -7.455530861969001 | -7.818553142289791 | -7.34791126187172 | -7.685622156418697 | -7.836327833891425 | -7.635091233360895 | -7.498165835189036 | -8.169242629048021 | -7.61576643775227 | -7.845314205847473 | -7.498588547443936 | -7.774820188636131 | -7.962870675570781 | -7.621835065414914 | -7.550506424497986 | -7.819597459127485 | -7.394650974668489 | -7.72877394348471 | -7.691629845876959 | -7.452953788422098 | -7.468016721391345 | -7.685330548468318 | -7.4191523401238895 | -7.4804911222872805 | -7.793234899176675 | -7.19540404446831 | -7.650364965006593 | -7.595205572077633 | -7.656630499269249 | -7.60341250373144 | -7.576038979129303 | -7.668535796770004 | -7.746823496561142 | -7.995899236693529 | -7.9592324103649315 | -7.755298273165555 | -7.798033461991191 | -7.713979420822624 | -7.711658513574339 | -7.627593399986581 | -7.419179567314338 | -7.742324688379981 | -7.620490883208658 | -7.423412550104986 | -7.276436100525825 | -7.598363871609383 | -7.665571702920008 | -7.401217045021723 | -7.364954998318216 | -7.525916856407557 | -7.598803422708276 | -7.873188058332293 | -7.71622093345838 | -7.248148616669176 | -7.583690928498866 | -7.56974604236239 | -7.530345677325529 | -7.687518102451022 | -7.571342593461701 | -7.503297025869369 | -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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | -9.122328687800199 | -9.30223009136435 | -8.074858195864206 | -7.408002287305186 | -7.378956219089954 | -7.605940036420661 | -7.207772428888828 | -7.452852347716692 | -7.424924253029003 | -7.938421035053127 | -7.316421171606624 | -7.225549247686748 | -7.035609560195024 | -7.01437923269335 | -7.21210371059534 | -7.706483489954032 | -7.644286927576205 | -7.981409060636597 | -7.681562600578837 | -7.255355282921686 | -7.542826773181537 | -7.998441926539995 | -7.045000227013752 | -6.765714017810788 | -7.192203885629883 | -6.972744044199055 | -7.172116691386363 | -7.082254860601164 | -6.898887417921965 | -6.77303854851566 | -7.590240630911238 | -7.403545245097446 | -7.651509514602648 | -7.632578228873938 | -7.057982537872542 | -9.22646739915185 | -7.631637837141671 | -6.652876998494569 | -7.302226238740462 | -6.9394472184295015 | -6.686663018051429 | -6.9288129422504765 | -7.114570599931668 | -7.2784742779886225 | -7.928316149975018 | -6.880854549491077 | -7.726148994064609 | -6.702462035260242 | -6.777015064861346 | -6.852302892900834 | -7.387409992535777 | -7.49767854713251 | -7.744200699585262 | -8.344078270462324 | -6.953056599192514 | -6.843265073754557 | -6.953284242474881 | -6.6897451490742945 | -7.258568145824668 | -8.12371940334089 | -6.888755991011 | -7.328740781265046 | -7.552881822869036 | -7.573951959599072 | -8.206426336089839 | -7.190287569042231 | -6.641787032980355 | -7.097359280552377 | -7.466558693251944 | -7.433948058315974 | -7.669129721630797 | -6.766741869227602 | -7.195243652219592 | -6.656489339291252 | -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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -8.259599955412273 | -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 | -6.75776217752953 | -7.137226993746937 | -6.59708827536234 | -7.026491406295346 | -7.083753064209823 | -7.033459404286051 | -7.488354855202801 | -6.865004806690303 | -7.261997954027875 | -7.484512723980945 | -7.284575424766598 | -7.156443349487918 | 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||||||||||||
| 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |