metabolite_name	3609	3608	5050	5057	8678	8680	10188	10184	10506	10512	10524	10526	18476	18473	19051	19053	19205	19204	19338	19337	21274	21275	22346	22343	22693	22694	23979	23977	31703	31708	32567	32564	32595	32594	32871	32870	36673	36668	36916	36914	37654	37653	37687	37689	37976	37977	42957	42955	43779	43782	47605	47603	50742	50739	52012	52014	53131	53132	53247	53248	53983	53984	54182	54184	59701	59703	17626	17627	17637	17643	19567	19564	23868	23870	24070	24068	39907	25794	25793	25922	25923	25945	25944	26084	26163	26166	31630	36357	39117	39116	36361	39910
Nicotinamide adenine dinucleotide	-2.343240687	-0.814440819	-9.322655905	-8.403312478	-3.046398371	0.207211672	-8.84616641	-6.900064474	-0.492546351	-6.000477217	-4.875748694	-4.004218536	-5.543509891	-7.124749008	-7.767581828	0.2356757	-2.343037095	-2.241445591	-2.469777838	-0.68693477	-5.022611155	-3.818104818	-2.392824286	-0.092081614	-3.423736511	-6.766283057	-4.424561222	-4.870924195	-2.012398155	-4.374501739	0.431898815	-4.722091827	-2.559100207	-0.182625921	-5.054305928	-7.833610453	-2.636729994	-0.964139528	-6.880127539	-4.100407534	-6.47422905	-4.364950982	-6.290502185	-8.377036412	-2.040020031	-1.771222373	-2.502660548	-2.445117011	-7.717374569	-7.186845793	-1.502058709	-3.061677082	-5.68314773	-9.499285379	-7.285828195	-0.88594198	-8.852380686	-0.126377461	-4.385608105	-3.793104011	-2.343876928	-2.467546339	-5.513350056	-1.168806352	-7.745555732	-4.099254463	-8.413208434	-9.179938602	-9.370522954	-8.247593285	-11.48151266	-8.280706815	-2.370805424	-0.857258926	-8.042165077	-3.412078754	-3.128899447	-0.656510214	-0.465786349	-1.742097654	-2.360171506	-8.040735649	-7.974924168	-4.882877946	-4.206108027	-0.940032645	-7.205518518	-0.186757584	-6.754799865	-6.613147223	-0.536309384	-0.754538009
Adenosine 5-monophosphate	4.562079364	4.376298262	1.993061473	2.247217349	5.031611138	5.248301251	1.562343864	3.174200477	5.24638015	4.402189195	3.923776197	3.264646134	3.033899708	2.811197765	3.036908684	3.469680089	3.209839376	3.708843485	3.880765867	4.793833313	4.426838457	4.243706608	3.961000258	4.984353104	5.297301451	4.482053762	2.781330435	3.165254399	4.010208672	2.242461116	3.184278006	3.757403967	4.068860347	4.630676425	3.066192948	3.096385449	4.455758917	4.731639373	3.31584691	3.765793654	2.937271069	3.792781294	3.259684146	2.408576963	3.743090565	4.717085614	3.271645199	4.19038528	3.898343546	3.948750485	3.703374403	3.348751955	3.2015769	4.282898271	2.502526597	3.486352646	2.775451745	4.033348796	3.984854498	2.968464042	3.996829008	3.987531921	2.673892242	4.422219964	2.562864482	2.666270841	2.34592302	2.859686042	2.311214362	2.662156421	1.475600848	2.273149475	3.011000257	3.739098049	2.904295594	3.024221861	3.453975132	3.55618577	3.96308847	3.249570828	2.057365772	3.019060034	2.910135634	3.502619063	1.344317296	2.867929424	2.387919492	4.634805981	4.197086063	3.656479598	4.700397496	3.658958666
S-Adenosyl-L-homocysteine	-5.506769713	-4.445664724	-6.141446994	-6.486001047	-4.534306264	-4.18076666	-5.113503218	-3.187189478	-3.284332858	-4.4964945	-4.867709944	-4.501528581	-4.432185064	-3.778257826	-6.422268453	-4.057650245	-3.449353793	-3.46708726	-4.662137734	-3.564640014	-4.660409853	-3.500962173	-4.501065564	-3.49646392	-2.816432576	-3.368568636	-5.035859049	-4.753133005	-4.279763829	-4.405422467	-4.73336732	-4.016812683	-4.63062021	-4.43924752	-4.744950783	-3.938603281	-4.923544771	-3.698709201	-3.816887173	-4.335249077	-5.092263459	-5.056574196	-4.093215035	-5.340926603	-4.262645347	-3.369688612	-4.42290653	-2.581670247	-3.718669497	-4.353884996	-3.666162462	-4.517795696	-3.467127213	-3.519795985	-6.254619578	-4.554194399	-4.72211309	-4.820924566	-3.294272182	-4.459976975	-5.616039744	-4.788350984	-3.223963181	-2.711296546	-5.636543307	-4.885876643	-7.028073393	-4.419493444	-5.577650981	-5.331530035	-5.298271446	-4.816642286	-3.483778243	-3.412756657	-4.103103261	-3.93769192	-4.887723122	-4.214608504	-4.095380911	-4.220367796	-4.22471912	-4.44840059	-5.1087843	-4.135426215	-4.135532671	-3.029988129	-5.420751148	-3.630850274	-3.426923978	-3.236412444	-3.436751698	-3.652027467
Glutamic acid	3.097508368	3.868322439	4.097464737	4.280976337	3.506620254	4.318925692	1.778325071	3.117165231	3.702639465	3.857692938	3.061175528	3.563824075	2.757990363	3.162895072	1.939284466	3.361936318	2.53054687	2.868103512	2.888033673	3.634722963	2.951206782	3.928398948	2.516101049	3.682233091	4.18689865	3.765895314	2.583834595	2.241233035	3.371413428	2.715288721	3.116640323	3.144555447	2.594185971	3.392402023	2.937582088	3.425239151	3.001110102	3.621056996	3.152877342	3.226763596	2.592169552	2.444339297	3.56444903	3.249919724	3.12081572	3.73264121	2.412740476	3.862702124	4.119158926	3.96839001	3.14885633	2.681752518	3.291565387	3.588784106	2.082605606	3.173836106	2.881686999	2.994217593	3.903564329	2.588329993	2.481014651	2.566629837	3.297035239	3.833950712	2.068197805	2.353906742	3.799042429	3.836278407	2.92561463	3.383222792	2.787751496	3.567230474	3.33277024	3.633498094	3.271891019	2.720671322	2.721979596	3.172447029	3.433534636	2.71238817	2.243671829	2.626081571	2.463387191	2.920170416	3.035199575	3.637803239	2.405350007	3.767329131	4.735725792	4.781325458	3.315571984	3.510151852
Glycine	-5.313109612	-4.29665757	-2.129069382	-1.760118042	-4.550393992	-4.34751693	-6.077888408	-3.564329401	-5.443679509	-4.794282109	-5.076443642	-6.835224831	-4.349546975	-3.932394598	-5.553199616	-4.136631956	-4.880978999	-4.527418279	-6.238621631	-5.501418499	-5.022251687	-4.385275032	-4.996052745	-3.330374142	-4.456651012	-5.191098661	-6.020018071	-4.798565692	-5.111998766	-5.517405012	-5.791536305	-4.769383382	-5.035846493	-4.161060834	-4.278882438	-3.479880841	-4.393506725	-3.41041138	-3.402472437	-3.760817365	-4.584593326	-4.471663363	-3.005060689	-3.998203784	-3.91613703	-2.620618078	-4.534058589	-2.699862158	-2.06464789	-2.538966277	-4.545499671	-4.740362639	-4.441324384	-4.063644661	-5.046601487	-3.956718001	-3.922262417	-3.209934854	-3.190107321	-4.468985105	-4.565057106	-4.23020991	-4.996177403	-3.342130571	-4.449768665	-4.420437322	-3.782616353	-3.679016593	-4.778410548	-2.918617335	-2.899675217	-2.363643384	-3.671072641	-3.503162867	-4.414555896	-4.706121091	-4.549728041	-4.551595344	-2.95684319	-3.989106664	-4.634705215	-4.020819075	-4.09708331	-4.140592622	-4.662221826	-3.893363512	-4.658212872	-3.105805457	-2.736635865	-3.739291105	-5.670712375	-4.801435998
Lysine	1.51438815	1.630589823	3.612726321	3.47864004	1.76319903	2.311079532	0.186829485	1.497144835	2.534591452	1.764488263	1.164016558	1.044327131	0.881041518	1.526197792	0.061858014	1.185076375	0.790281802	1.147786935	0.908873782	1.518641218	1.121068187	1.723679175	0.988053233	1.783080088	2.423179019	2.357916003	0.885371987	0.820451375	1.248817333	1.476111497	0.949381723	1.615157095	1.306393675	2.192859757	1.012729109	2.100241008	0.794667915	1.741309091	1.636055368	1.479342067	1.402643405	0.696042961	2.232183516	2.679622743	1.31476492	1.742885756	2.339607656	2.539705958	1.735026144	3.506872562	2.12772861	1.575669458	1.883651991	1.955357825	-0.223739686	1.51281771	1.161801606	2.094387001	2.460552345	1.227332463	1.255021782	0.808672568	1.753118125	2.418012228	0.159083241	0.843228982	3.240907291	3.727982706	2.45032393	3.049005311	2.443019266	1.899431378	1.57597507	1.951325185	1.455182118	1.503188568	1.276942384	1.896423105	1.903264133	0.856161493	1.133574198	1.355809322	1.048946924	1.821036869	2.178412366	2.50355048	0.527793179	2.218360222	3.055752399	3.304137899	1.252966945	1.275081975
Glutathione, Reduced	-1.397911705	-1.185311128	-9.809618331	-10.00430816	-0.397419807	-1.642962657	-13.41517134	-4.133339542	-0.770953949	0.698541191	-0.722211129	-1.878634746	-0.499640664	0.794621334	-1.882683829	0.051428255	-0.359581262	0.228856752	-0.640643097	0.41630305	-0.113973834	-0.375580704	-0.863351913	0.483349668	2.267116966	0.598039861	-3.28339956	-2.677215654	-0.07848531	-7.505636128	-0.136672632	0.318953177	-2.737516917	-2.930910466	0.463564427	-0.115575056	-0.519569547	-1.234864814	-4.655043328	0.713558933	-0.634338642	-0.386120345	0.687482917	-8.78237731	-0.272451152	-4.098512387	-1.234445665	0.47463369	-0.824283269	-8.903824979	-0.488026011	-0.113878446	-0.188859326	0.674020147	-2.378557072	0.955413639	0.8028078	1.2778317	-4.885367737	-1.330745516	-0.40373976	-0.049112512	1.247592981	0.932756218	-1.608950257	-0.072980429	-8.959460454	-7.661334259	-9.908695196	-11.16678658	-9.215989354	-9.973160064	-1.289760269	-5.387665176	-0.263353671	-2.473121925	-0.671138638	-0.946249507	-0.317166034	-0.723976579	-1.482975592	-0.201826453	-1.489202668	-0.039353052	-0.310228163	0.586500542	-0.22470479	-0.573605523	-10.11474129	-8.976943563	-1.612851353	-3.139555511
Cytidine 5 -Monophosphate	-1.651626763	-1.288137589	-3.864969412	-2.924448337	-1.166384605	-0.498481347	-3.090418327	-1.606507054	0.369362983	-0.442801595	-2.341669968	-1.217747469	-0.689337845	-0.977453465	-1.618264823	0.437459957	-0.14016897	-0.364375085	-0.591918966	0.068383408	-0.252516616	-0.134380717	-0.805696335	-0.042398834	0.61468913	-0.304731457	-1.60285818	-1.18432154	-0.44382263	-3.142632975	0.514655963	-0.194293717	-1.282119753	-0.598509381	-0.344770689	0.243489156	-0.834164732	-0.223547963	-0.18464488	0.276878476	-1.014515402	-0.350800516	-1.081972196	-1.418949767	-0.044877093	0.468328475	-2.122519913	0.598224627	-1.137670572	-1.428083564	-0.208394667	-1.153427036	-0.57011686	-1.995730705	-1.312919864	0.001113646	-0.497467918	-0.359847947	0.843113028	-0.720932529	-0.440912009	0.022091236	-0.581617059	0.401475742	-0.75743133	-1.15361664	-2.260151425	-0.797335732	-3.427990325	-2.92413734	-2.539729883	-2.737215687	-0.428605449	-0.345281082	-0.486252749	-0.046241191	-0.382449926	0.348722605	-0.436104954	-0.410432891	-0.99659981	-0.800090418	-0.852967542	-0.290420796	-1.086046677	-0.04802074	-1.226145836	0.272596912	-2.076561435	-1.880727081	-0.15584613	-1.466807521
Arginine	0.446356037	1.354847418	2.267145814	1.828304004	0.144974545	-0.069563944	0.021358868	2.004765218	2.679034839	0.979410781	0.105848156	-0.449713367	1.129366679	1.495194588	-0.886498188	1.043848982	1.651206054	0.972146027	0.607148857	1.070320077	-0.549211313	1.915408762	0.954562932	2.623127646	1.31967735	2.349169141	0.288271588	0.374874085	1.285003764	1.784510948	0.307253186	1.389567041	1.71808166	1.666712123	1.223799234	1.558913251	0.625645005	2.288875808	1.594184262	1.438725327	1.054382031	0.615846805	1.286777225	2.502925753	1.632057078	2.084436418	1.438145903	2.59836777	3.073237922	3.000656857	2.246190914	0.99382562	1.732258987	2.425219411	-0.451874742	0.969079981	0.820186975	1.392210878	2.628940529	1.579354146	0.434292999	0.29093668	2.207440393	1.842687702	0.46845714	0.587528279	2.590599039	2.600737963	2.23766552	2.373522176	0.649382571	2.705883419	2.197318862	2.071517096	1.483645929	1.55895298	0.867087805	1.456541538	2.270540283	1.740154431	0.93140551	1.008243175	0.807145591	2.240372358	2.109675211	1.844788449	0.294178088	2.539728966	3.825805794	3.154042111	0.754806473	0.127273858
Glutamine	1.904068098	2.341491016	4.030436162	4.131060658	2.231517507	2.733728905	1.052876226	2.223974792	3.165687329	2.565819124	1.724940213	1.819611911	1.455139906	1.968264763	0.466800808	1.768304972	1.225151122	1.753504631	1.482524234	1.978870597	1.541664731	2.328714762	1.597178438	2.22709577	3.093291301	2.765008799	1.27485513	1.209672591	1.815480318	2.132314409	1.45014798	1.959381338	1.619389948	2.555123912	1.585886469	2.560560164	1.510224474	2.061085539	2.204194655	2.188064398	1.854622015	1.137737086	2.84002222	3.067412568	1.722524314	2.222306406	2.695162972	3.005247648	2.115161661	3.990942961	2.572367694	2.13565664	2.208845777	2.605873547	0.426668264	1.874280666	1.668032021	2.56522728	2.917456462	1.663441818	1.843908361	1.445088928	2.259252353	2.895960898	0.580323542	1.307730277	3.758589464	4.02058056	3.056102733	3.471194686	2.864439019	3.401916101	2.163581391	2.586847919	2.072301959	1.968139794	1.617034147	2.370677366	2.425172788	1.42776258	1.494687614	1.79595112	1.480384661	2.457732242	2.53995095	2.942661076	0.87561416	2.5228644	3.617362514	3.8603156	1.782912853	1.906445225
Serine	-1.70453182	-1.027313156	1.753320495	2.266954806	-1.817539639	-0.852368476	-2.011643701	-0.679222621	-1.473927296	-1.84470169	-1.896878129	-2.32353453	-1.959214405	-1.684521356	-3.111871584	-1.337836167	-2.967222093	-1.917690524	-2.471277117	-2.036869822	-1.650502774	-1.550690381	-2.379258277	-0.960498785	-1.200149888	-2.507997422	-2.424402616	-2.216423881	-2.616877799	-6.641085672	-2.302341407	-1.839967271	-7.14989204	-0.098083067	-1.621194856	-0.298598958	-2.295637724	-1.51758032	-0.423049203	-1.192236042	-1.224230197	-1.661851523	0.737190118	0.342675229	-1.147059692	-0.702475131	-1.532039242	0.035704548	1.156319152	1.586872319	-0.87740442	-0.88312334	-1.449478781	-0.24823785	-2.353303721	-0.761571314	-0.896247122	0.135263351	-0.265112322	-1.378016249	-1.918986148	-2.418431552	-0.629607942	-0.01168392	-2.106485381	-1.865022072	1.16793361	1.092793347	0.270131411	1.253996249	1.11017875	1.57891427	-2.160526953	-1.938219669	-0.831616111	-1.676548287	-1.79253848	-2.004374079	-0.649823359	-2.074206152	-2.270410901	-1.024570937	-1.12280265	-1.171459088	-0.695161218	0.223992963	-1.827096248	-0.300096782	0.097192772	0.446729174	-2.615206262	-2.218632822
Tryptophan	-1.931692886	-1.652652289	0.834222494	1.09033376	-1.214950617	-0.699478058	-2.013445313	-0.612911958	-0.091560689	-1.328520606	-2.179271935	-1.351859028	-1.394400619	-1.883288329	-3.287082593	-1.161038706	-2.389858723	-1.621724123	-1.719759518	-1.188624753	-0.794661455	-2.064187797	-1.812577752	-1.03493456	-0.82713995	-1.619980734	-2.174540298	-1.799479766	-1.657020258	-2.168305165	-1.284228072	-2.062242786	-2.091260424	-0.206999768	-1.986107973	-1.227178003	-2.745901426	-2.283321522	-1.688630233	-2.52865753	-2.335754426	-2.495816582	-0.836216115	-0.521905422	-1.832180132	-3.157183296	-1.947362038	-2.13155689	-1.095081354	0.8089191	-1.603168798	-1.786568026	-1.282675164	-2.395910119	-3.204125252	-2.007571454	-2.542034515	-1.937452121	-3.173770311	-2.082227362	-2.53997542	-2.439226112	-2.018136022	-0.981047642	-2.193709269	-2.76331876	0.698019063	0.912327564	0.009016907	0.216083358	-0.719307246	-0.393634062	-1.886994877	-3.155860739	-1.451828591	-1.114185991	-2.335177067	-2.168292878	-0.885391546	-1.979444142	-2.281726716	-2.028446126	-2.087471152	-1.819153159	-1.995333829	-0.982006079	-2.415216456	-1.316448841	0.707869182	0.922322188	-1.554049797	-1.906880904
Phenylalanine	1.085431569	1.260144118	3.750154518	4.180405051	2.024650385	1.97452651	1.166117763	2.359981335	2.248211222	1.226706051	0.772850317	1.100249755	0.325429881	0.580292281	-0.505635569	1.29671155	-0.160556707	0.773132174	0.949290743	1.682690452	1.519384388	-0.088915331	-0.085069664	1.103429124	2.026814158	1.178208099	0.112183125	0.970869032	0.614935765	0.155410779	0.852308058	0.751562175	-0.092807518	2.629137797	0.37918672	0.746573746	-0.66695509	-0.024693192	0.391357226	-0.190397842	-0.006891828	-0.617832522	1.163883198	2.674010203	0.02969988	-0.310470683	-0.131529094	0.393457936	2.266819915	3.728199606	0.633899818	0.140980478	0.301000869	1.249415114	-1.107902458	-0.36975787	-0.624453824	0.092416702	0.302308786	0.050315842	-0.874065873	-0.722556068	0.642640237	1.006862409	0.091110642	-0.675477341	3.250046506	3.351528538	3.013669321	3.217987236	1.829860134	2.405734648	0.559343807	-0.306102404	1.008382521	1.251101671	-0.111485944	-0.118747504	0.943943544	0.325650987	-0.391842358	-0.050552474	0.058879722	0.594087208	0.671520743	1.349541178	-0.756312371	0.832020992	3.930670276	3.726401169	1.08221895	1.356400507
Tyrosine	-7.701315869	-6.209831501	-2.303718723	-2.464605456	-6.453298331	-6.080554504	-6.136666123	-5.070064392	-5.658654615	-5.897883436	-7.827915036	-6.986462007	-7.476935189	-6.363203926	-8.497101237	-6.764558528	-7.439177768	-7.087745649	-7.217394354	-6.820653404	-6.716298191	-6.188761052	-8.217014456	-6.334321904	-6.286963136	-6.172344121	-7.416855215	-7.079540523	-6.906338099	-6.678652197	-6.494900571	-6.932876771	-7.547747914	-4.791555396	-7.201466991	-7.139378086	-8.082785799	-6.299450393	-7.560521704	-7.544796778	-7.687185288	-8.130636546	-5.958634529	-3.699044446	-7.042043792	-6.916792884	-7.325686559	-6.348370853	-2.752338936	-2.5604965	-6.692184147	-7.628360654	-6.231495277	-4.296804716	-9.215034928	-7.691190445	-7.110570478	-6.355542023	-6.117141288	-7.492727865	-8.400857999	-8.924789013	-5.697745814	-6.419009104	-7.393690423	-8.150697721	-2.896695522	-2.895601115	-4.035906947	-3.430442714	-4.22424718	-3.532431692	-7.120185538	-6.837359368	-5.649115066	-6.709578413	-7.739567956	-7.645754756	-6.328742347	-6.938202711	-7.702187836	-7.804944896	-7.21805671	-7.074284631	-5.941187373	-5.454295334	-8.007991976	-6.598190369	-3.026512654	-2.530759687	-6.588764575	-7.333074693
Malonyl-CoA	-9.970391135	-9.077318552	-9.588323768	-9.21590005	-9.026323074	-8.691055547	-10.76698203	-9.174527211	-8.628884096	-9.107914686	-9.188741677	-9.139149234	-9.375819826	-10.20466199	-11.43495818	-9.685733073	-9.995009829	-9.643774992	-10.03467295	-9.9825001	-9.382307999	-9.598199123	-10.76261084	-9.623077648	-7.796288438	-8.983850017	-10.24244517	-9.570013273	-9.438312295	-14.19639558	-10.12427303	-8.823063565	-10.19601377	-8.998525203	-9.618749323	-11.01179646	-10.32279966	-9.669214538	-10.53556264	-9.959936344	-11.32654895	-10.71162639	-10.27318907	-10.54196185	-11.26427912	-9.833996787	-10.90013365	-9.192726296	-9.978172153	-8.976442481	-11.01329658	-12.15221916	-10.52222174	-13.08768771	-12.54266972	-10.62199208	-11.99980845	-10.35390515	-9.818963334	-10.96303495	-12.21767572	-10.99508701	-10.70054982	-10.16691248	-11.25971479	-11.52257335	-9.566682915	-9.120417419	-10.14500236	-9.582623136	-11.35055697	-9.901849976	-9.924642356	-10.27819875	-10.08125097	-9.773479292	-10.64839041	-9.800760337	-10.30939066	-10.48655008	-10.63160883	-10.72367297	-11.37712686	-9.910889907	-10.83672214	-10.22241146	-11.67694542	-10.67257075	-8.29965339	-8.890421217	-9.398367216	-10.23091323
Urea	-0.465084508	-0.75477341	0.005833741	0.224738453	-1.006635561	-0.450686584	-1.38725926	-0.889731902	-1.671678372	-2.109832558	-0.921278522	-0.849589039	-1.374414674	-1.588893686	-1.871745612	-0.732042853	-2.136817198	-2.441524155	-0.501043088	-0.106287571	-0.764237475	-1.594736032	-1.650778202	-1.422252209	-0.589923431	-1.462597049	-2.153024231	-1.53185435	-1.325049471	-1.856751695	-1.533190302	-0.904441979	-2.218606063	-1.223117776	-2.821722291	-3.005504106	-1.545093575	-1.267450299	-2.055632491	-0.847423371	-2.815606777	-2.850938655	-2.346430865	-2.25459031	-1.360350048	-1.048681658	-2.226591544	-2.352559048	-3.164148102	-1.243505604	-0.94821533	-1.511329707	-2.781692436	-3.342586789	-1.933070768	-2.02823897	-3.395352731	-3.329260057	-0.21560305	-1.696297663	-3.398178508	-2.758386791	-2.408793922	-2.316065819	-2.549981483	-3.466636214	-1.45999926	-1.123239009	-1.337292826	-0.988760112	-3.146180266	-2.646613614	-1.86943408	-1.344353462	-2.114828441	-2.15253122	-2.590809996	-2.961844017	-2.515967713	-2.512847204	-3.240656059	-2.823175038	-2.639034604	-2.457009371	-3.139749696	-2.94385646	-3.103901351	-2.860778189	-0.926784203	-0.875643936	-1.112288414	-0.602968529
Succinyl-CoA	-12.14269721	-10.58826924	-9.52220835	-7.966719418	-11.5503037	-8.844698626	-11.96986839	-11.7221877	-9.563539524	-11.65527012	-12.15375276	-10.61177053	-12.57838959	-12.56084812	-11.42362064	-12.94691582	-12.39624004	-11.50691497	-11.08290451	-10.72364345	-11.0000017	-12.34039474	-11.81756234	-11.74357705	-9.690766156	-10.513066	-10.65526485	-11.81567803	-12.10284973	-10.3242704	-11.76159843	-11.86813133	-11.60554129	-9.459285842	-12.24271934	-12.3738712	-11.74067342	-11.95580723	-12.42291305	-11.78107508	-13.26012158	-12.19846722	-11.49947339	-12.05302037	-11.64373358	-9.746497849	-10.36723111	-12.15166873	-12.11219179	-9.535240762	-11.77663758	-13.3375742	-10.96866794	-10.26485136	-14.80746458	-12.31441301	-15.01718502	-12.31679463	-10.87347858	-11.61066198	-12.2027889	-11.34131141	-12.44489056	-10.98883163	-15.69338782	-13.84501385	-10.78347806	-9.909411138	-11.03197164	-9.408884412	-11.82795445	-10.92559746	-11.63457085	-11.16802826	-12.85768982	-14.04267128	-11.6399963	-10.95508848	-12.25032472	-13.22531	-12.44436233	-12.43050869	-14.39084137	-12.1474564	-11.87940731	-12.98781107	-13.48202749	-11.43598473	-9.367134885	-10.04762735	-10.29459105	-11.5594592
Cysteine	-9.85140442	-7.85621061	-6.154640494	-5.71198032	-7.513341494	-6.83447917	-7.072929513	-5.836137566	-6.511004998	-6.681552751	-8.948537979	-7.301624668	-7.19251217	-7.515250755	-9.129725374	-6.019027323	-7.830133862	-6.36283844	-8.331565856	-7.746821602	-7.572521841	-7.783940471	-8.770430864	-8.330946049	-6.986383315	-6.918779984	-6.979035114	-7.152336237	-6.507892288	-8.48473507	-6.147027944	-6.307959621	-8.884149635	-6.150242802	-8.023469996	-11.09752634	-8.76333582	-7.082378127	-8.915360144	-9.121515808	-9.034799189	-10.51707645	-7.514039201	-5.54289795	-10.36579096	-7.300517169	-9.535919447	-7.047309522	-7.984723838	-5.045754145	-9.25534573	-9.402013062	-9.413775592	-10.32724496	-9.677577739	-8.468107419	-8.431379354	-10.12401386	-7.492656798	-8.873160917	-10.07809315	-10.47501056	-8.476069328	-10.26703248	-7.597286305	-8.240116693	-5.340614835	-5.618561354	-5.184515556	-5.083959721	-6.942516195	-6.577190144	-7.212588557	-6.950242115	-7.052293438	-6.94546306	-10.26487471	-9.263693071	-7.61586903	-8.799094373	-8.544529745	-8.790094071	-8.786833109	-9.392775218	-9.174767608	-7.468750818	-11.02730051	-8.861293493	-4.479560294	-4.630327749	-8.999826067	-7.845898212
Uridine 5'-monophosphate	-5.288826658	-6.123143985	-8.464624507	-7.927579047	-5.950688749	-5.108849288	-7.952543102	-6.68483745	-4.788920462	-4.921545791	-6.283217189	-6.081457735	-6.096058212	-5.601419174	-6.449061993	-4.323948874	-5.165536871	-5.321202529	-5.588621057	-5.012960981	-5.772810155	-4.853423868	-6.025130224	-5.414820356	-4.145846187	-4.462050901	-6.151835989	-5.795859697	-5.249052113	-7.888090765	-4.725720272	-5.169516384	-6.446742898	-4.728685171	-5.384509966	-4.839657485	-5.617320796	-5.260696098	-5.077634113	-4.709466847	-5.703291332	-5.734163465	-6.020431011	-6.497026297	-4.464489826	-4.770391817	-6.956120229	-3.913623604	-5.686563576	-6.071213403	-5.213961451	-5.87301015	-5.26163252	-7.088744758	-6.109364179	-4.776986458	-5.960768489	-5.271422202	-3.982416023	-5.009631499	-5.543594424	-5.479017801	-4.89117089	-4.589243496	-5.339130028	-5.77271344	-7.264477465	-5.934159846	-8.438026436	-7.367729117	-7.281639033	-7.855234339	-5.27027523	-5.263631721	-5.707027526	-4.76559822	-5.319231138	-4.804510125	-5.508587324	-5.638929005	-5.647453287	-5.830166363	-6.21131246	-4.794933168	-6.089827094	-5.368093406	-6.096456214	-4.647882124	-6.71129485	-7.006905609	-5.59123385	-6.371377257
Uracil	-2.282982364	-3.340746208	-0.509027388	-0.650469536	0.522219809	-0.969159579	-2.105273037	-1.492791243	-2.473342183	-1.391841922	-0.227347622	-0.661323241	-1.224402332	-1.527881769	-1.4793035	-0.372820544	-2.533949004	-1.336020514	-1.578951077	-0.553438582	0.103532	-1.023760608	-2.105975051	-1.825624231	-1.195354496	-1.756810977	-1.537617091	-1.21819265	-0.900087652	-1.120442122	-0.576157118	-1.408663484	-2.8383692	-2.063423329	-1.23726993	-2.098479086	-1.459903384	-1.703864195	-2.267838452	-0.718018736	-1.801977647	-1.158249272	-0.961882228	-1.093435216	-1.654953155	-1.949016734	-1.80816355	-0.933008663	0.854501555	-0.5419604	-1.52427851	-0.894092626	-2.02209321	0.973028669	-1.10885372	-1.690938892	-0.615070258	-2.583945147	-0.668199047	-1.74135549	-2.180142163	-1.155982679	-0.650725484	-1.570360728	-0.901590369	-1.28336303	-1.353819165	-0.776158574	-0.313752327	-1.122306983	-1.682778779	-2.034748059	-2.483484337	-1.894049301	-0.112558189	-1.860129545	-1.98117034	-2.435998313	-2.196527175	-2.069311162	-2.772407147	-0.995664565	-0.870703615	-2.072991506	-2.025484934	-1.242589048	-1.216138039	-2.347277699	-0.604967483	-0.916016077	-3.064153993	-2.697300861
Choline	-0.659173024	-0.173956058	0.268735233	1.296905846	-0.996741048	0.024399085	-1.743778882	-0.187361622	-1.080416738	-1.146903188	-1.025930405	-1.134230562	-1.389866556	-1.358721233	-2.228574741	-0.624601385	-1.340453872	-0.083023424	-1.221963607	-0.878502358	-0.892419766	-0.165743669	-1.660359048	-0.886190391	-0.883814333	-1.501951317	-1.346187881	-1.483744244	-1.385246178	-1.997224869	-0.565696789	-0.957535485	-3.101557325	-0.355700314	-0.495913795	-0.863027601	-1.644707664	-0.220765599	-1.419838267	-0.53127897	-1.636182427	-0.791862437	-0.122588711	-0.776863771	-0.846608046	-0.980959254	-2.430226211	0.160092554	-2.304445988	0.379001021	-0.334965505	-0.925100148	-1.256727953	-2.087089793	-1.947602747	-0.719074808	-1.370164333	-0.648265759	-0.568448198	-0.994035534	-2.854499079	-1.404491256	-0.890147943	-1.139857599	-1.275296332	-1.387747344	0.627916792	0.075645493	-0.463686542	0.039616319	-0.494770231	0.356071477	-0.692224349	-1.033311552	-1.080075807	-0.805338211	-1.930875453	-2.781232278	-0.503176914	-1.199104048	-1.997209159	-1.933125171	-1.470380931	-1.106468053	-1.92089349	-0.367249757	-1.474015656	-0.924872667	0.483445063	-0.086238797	-0.978511181	-0.783184274
Putrescine	-7.592038128	-10.14281807	-9.228587581	-5.744085207	-3.191213935	-7.216310307	-8.607321861	-6.470465734	-11.56156296	-7.096224456	-3.33435169	-4.183998492	-5.154480339	-5.788693576	-3.655529132	-3.749121489	-11.31518531	-5.574083903	-7.961641627	-7.759891916	-6.111434908	-6.028677106	-4.629552992	-6.270915993	-3.921778714	-3.653847248	-4.806457642	-3.412967447	-5.636818313	-8.909881239	-3.969235992	-5.085416718	-11.83702625	-6.062533791	-6.393673271	-12.03981084	-5.03806019	-7.291879511	-6.307690899	-4.494600488	-6.515277399	-3.652576498	-5.507166379	-3.798014332	-3.527877186	-6.851320988	-9.42560066	-6.277728555	-2.301659161	-3.834046251	-7.450085378	-5.625213614	-8.112767234	-6.24111996	-4.430814409	-3.458184423	-5.925034658	-9.384154386	-4.740024966	-4.555510426	-11.59192453	-4.84659649	-7.25607924	-9.807150469	-4.179867393	-4.933592595	-6.77373479	-4.222497356	-5.352202038	-5.42482694	-5.689530731	-8.811730105	-9.787114267	-10.53406918	-3.29294783	-5.920631407	-7.006119033	-10.7580333	-7.64931847	-6.595121509	-12.17189364	-3.477580882	-2.897903593	-6.528886651	-10.49154322	-7.530103444	-3.292754274	-10.65388086	-5.842326657	-6.487241858	-8.942866679	-11.47015501
Myo-Inositol	-7.701052652	-6.710180897	-6.043827538	-6.1529948	-5.764782481	-7.368183666	-8.008797938	-8.181371528	-7.237739905	-7.510144823	-6.860852024	-6.869657239	-7.582747579	-7.605894813	-7.96877343	-7.071177927	-7.7799178	-8.111142621	-7.931036002	-7.358510861	-6.214182047	-6.921402568	-8.159596472	-7.616604194	-7.069232488	-6.474152981	-7.762926053	-8.377639492	-8.633725032	-7.540548815	-7.506245811	-7.879292168	-8.777214577	-8.206860199	-8.131648998	-8.338917858	-7.277859553	-7.945289362	-8.279833033	-7.484999506	-8.298284581	-7.219698908	-7.764817957	-7.064465764	-7.954846338	-8.779651282	-8.828635201	-8.022607342	-6.392307039	-6.975757663	-8.042682963	-8.233177412	-8.54108743	-6.732611963	-6.612383115	-7.900049155	-7.578944795	-8.890807599	-7.459466089	-8.502205444	-8.72932823	-7.73317178	-7.587443317	-9.086011879	-4.770514083	-7.908114457	-7.703675787	-7.097468517	-6.990590171	-7.846616993	-8.207723891	-8.699121858	-8.143346514	-8.165877171	-5.101139387	-8.173409173	-8.278382342	-8.959187971	-9.550627157	-9.221486547	-9.382800924	-7.953663807	-7.139606687	-8.592132936	-8.802822293	-8.234285564	-7.590519925	-8.71851448	-6.06658511	-5.989246159	-8.029356612	-8.784310414
Guanosine monophosphate	-1.149951125	-1.577416805	-6.47560332	-3.616504974	-0.818668587	-0.704300297	-5.486819966	-1.963383608	0.788476662	-1.413599079	-2.525606132	-2.784699771	-3.967952337	-3.742000025	-4.191834288	-2.244310217	-2.972298515	-2.759171252	-1.729489739	-1.070578062	-1.621688519	-2.371253764	-1.679657653	0.136819379	-0.032070446	-1.904192824	-4.09628972	-2.898326312	-2.4789144	-5.826003142	-2.570935627	-1.369475577	-2.395014852	-0.512480386	-3.053068002	-2.908641078	-1.358745741	-0.570681911	-2.824666893	-2.15472356	-4.153838503	-2.616484363	-2.365698787	-3.548178645	-2.165231481	-0.992402676	-3.235252151	-0.672410679	-1.190256065	-0.702974471	-2.180794523	-2.848377248	-3.436356451	-2.897435403	-4.586452952	-2.47082445	-3.371448481	-1.367121593	-2.702924386	-3.035685265	-1.35805092	-1.415751019	-3.958425859	-0.523191869	-2.819802827	-2.807931445	-2.14714297	-2.520086947	-4.483014001	-3.354635933	-4.36510668	-3.374951954	-2.831217248	-1.752318582	-2.727010115	-2.341035692	-2.477986966	-1.357297891	-0.834701988	-1.820256556	-3.46620297	-2.675078761	-2.954157489	-1.835417987	-7.264371319	-1.971234525	-4.079150494	-0.780561629	-2.083311078	-2.716496479	-0.241222106	-0.999133689
Adenine	-2.692264547	-2.409513227	-1.925578427	-1.663415267	-1.845047367	-2.003632989	-4.303192732	-2.356117406	-3.42880775	-3.485953959	-2.380975346	-2.893862348	-4.313879301	-2.638432106	-4.891491586	-4.711008759	-3.310828976	-2.399680392	-2.703131034	-2.580441386	-1.978805448	-2.696166961	-2.937398196	-3.255901344	-2.56737879	-2.265913295	-3.123540028	-4.337744044	-2.204493129	-3.161335536	-2.942848827	-4.078915478	-3.367413775	-2.310580916	-4.488372734	-4.906215283	-2.996114916	-4.25963695	-2.855042211	-4.105355107	-2.886752782	-2.754586459	-3.507475448	-2.463224513	-2.588469578	-2.403206321	-2.522895385	-2.167794012	-1.672603647	-1.868537258	-3.845673358	-2.741279223	-2.952933237	-2.481788663	-3.055289208	-3.007012094	-2.907552553	-3.78013299	-1.666764809	-3.035309636	-3.308615522	-2.496503902	-2.408310868	-3.54955978	-3.095631992	-3.098496549	-4.834652909	-4.562616966	-2.707399678	-2.281178032	-3.464266094	-2.598989645	-3.175410483	-4.431691485	-2.172233677	-2.743223411	-3.346787983	-3.187093931	-4.237816237	-2.959254035	-3.462611754	-2.955075206	-2.624339971	-3.176252427	-2.896696391	-2.43561619	-3.146952472	-2.708838855	-1.589581619	-1.49417852	-2.55812301	-3.489110317
Proline	-1.507693735	-1.062104752	3.091042147	2.698502678	-0.687489461	0.96814183	-1.775724985	0.081014413	0.282285444	-0.074985278	-1.560231175	-0.753611858	-1.532611595	0.503653956	-2.866007695	0.199426956	-1.51279971	-0.118485002	-0.6375606	0.253529122	-0.636354944	0.483423645	-1.419560916	0.446798021	-0.21683025	-0.237450622	-1.754988507	-1.153629257	-0.973149571	-0.376231612	-0.465780608	-0.339949999	-0.937210412	0.851940582	0.020004222	0.532895577	-1.165698676	0.621950175	-0.299839349	0.304751602	-0.492144719	-1.979254975	1.240573798	1.822901597	-0.723802974	-0.112711479	-1.133685003	0.779488008	2.227169104	2.607676844	0.076570099	-1.12402788	0.05204135	1.003757147	-1.869442798	-0.499853066	-0.343047092	0.791885794	-0.036760235	-0.842943748	-1.331984461	-1.213225043	0.214605216	0.783155299	-1.367087533	-1.298480434	2.572291021	2.71329648	1.652694956	2.156826273	1.543115793	2.350470962	-0.782395175	-0.363746202	0.049768867	-0.406124187	-1.873028277	-1.737056979	-0.115087683	-0.608599384	-1.110882238	-0.688381693	-0.719617345	-0.073759643	-1.515873384	1.698350331	-1.877110562	1.151190274	1.872036418	2.69118371	-0.230954879	0.277522445
Asparagine	-3.657591975	-3.278224305	-0.21695632	-0.463351099	-4.614444298	-2.396457349	-3.614341309	-2.314208105	-1.59955231	-3.870609212	-4.232358433	-4.038311391	-4.037144614	-3.297407038	-5.467596429	-3.534338073	-3.833347498	-4.073589516	-3.352832948	-2.936929486	-4.45093788	-2.876031821	-4.677874795	-3.453255049	-2.462692456	-4.261219184	-5.055641424	-4.623477011	-3.649487079	-3.509862138	-4.379793725	-5.272553445	-3.638467038	-1.872719524	-3.915033621	-2.288465064	-4.42044977	-3.31277115	-2.503162534	-3.734068989	-3.833408477	-4.807881982	-3.617194951	-2.918393206	-3.937113805	-2.998659625	-3.256648866	-2.932949266	-1.879818178	-1.057396045	-3.110900487	-4.710792291	-2.752295697	-4.696578406	-5.687221958	-3.918007618	-4.745090875	-2.457204923	-3.333360331	-4.500629594	-3.824124929	-5.308795973	-3.201288176	-1.876193949	-5.609208303	-4.155105852	-0.706037362	-1.100998655	-1.726382563	-0.608382819	-2.270869346	-1.088105484	-4.097381002	-3.611396421	-4.654960262	-3.271825169	-4.348838961	-3.403360701	-4.942024812	-4.587534166	-4.339347362	-4.483201429	-4.340337317	-3.330203552	-2.773349195	-1.724962508	-4.618429943	-1.961570928	-1.066163484	-1.457694736	-2.743715203	-3.017447798
Nicotinamide	1.664644343	-0.106802554	2.118549861	2.664718366	2.82013937	2.015984346	0.482045034	1.884048247	2.126038258	1.844561373	1.979364879	2.446963804	1.563004534	1.29385597	0.80725542	0.856636084	1.016091333	1.657486359	1.791835001	1.442663231	2.400546892	1.686334444	1.397287011	1.538964045	3.109604058	2.077761291	1.373374541	1.134926029	2.100411619	0.120324037	0.746993904	1.466531203	0.191754074	1.565271206	1.801752684	1.493408138	1.862380617	1.533767617	2.311837529	2.260452183	1.633394649	1.728368158	2.411654154	2.460236172	1.903019022	1.882294794	0.591108312	3.292103516	1.537226935	2.553607617	1.702907795	1.786845942	1.851733527	0.838261936	1.693639861	1.439871126	1.207059252	0.186422415	1.795883957	2.17875852	0.369692513	1.690787943	2.649164557	1.786358673	1.938330263	0.828966686	1.979816867	2.700872645	1.588621119	2.349515122	1.39664871	1.51609822	2.001718345	0.089746135	2.631445236	1.647917586	1.841419765	0.261635467	0.745759381	1.655985243	0.671511889	1.502079509	1.57974097	2.002750095	1.860476538	2.64594446	1.494017988	1.465938354	2.980850673	2.543917328	1.53256921	0.1631488
Homocysteine	-8.000683795	-6.510292002	-6.943764853	-6.481253902	-7.529744649	-5.99202358	-7.549450436	-6.245508273	-6.573214252	-6.590296608	-8.34770738	-6.807639511	-7.969403861	-6.463277405	-8.986606296	-6.348529947	-7.568734199	-6.094142083	-9.782185812	-5.964807308	-6.67298611	-4.920278037	-7.989946188	-6.144497345	-7.413360513	-7.522417245	-7.736651937	-8.975333506	-6.333640971	-6.834946446	-6.893695286	-6.399366067	-8.15961585	-7.268912873	-5.838636867	-4.363629042	-8.147105905	-6.020692504	-5.251613935	-4.994280101	-5.251942951	-7.138146136	-3.962397625	-4.568650977	-5.084881466	-3.580508692	-6.137249786	-4.081641587	-1.910211071	-5.188089161	-4.393500829	-5.114835549	-5.928967016	-3.988216611	-7.443418142	-6.024045876	-5.511616481	-6.327827898	-4.861785415	-5.964010144	-6.650481779	-6.387390388	-5.558754373	-4.770899792	-6.973097868	-5.413321429	-5.22094748	-5.290710327	-6.965435195	-6.544596898	-5.053942407	-5.129818538	-4.761986492	-4.477437151	-4.976602886	-6.633043315	-6.547800204	-6.462622664	-4.063225566	-5.659685176	-6.484632512	-5.79291602	-6.031916408	-5.107406859	-7.273946155	-4.170267242	-6.829572599	-5.272065249	-5.537092474	-4.723007204	-6.316120457	-5.995239128
Valine	-2.320867936	-1.753683869	1.459774146	1.59144625	-2.482275278	-1.194014351	-2.447415947	-1.476571024	-1.393957952	-2.545556512	-3.010036696	-2.819896821	-3.231188032	-2.808290588	-4.019378908	-2.250097473	-3.091742208	-2.600168058	-2.688388491	-2.063729597	-2.793816063	-2.113232121	-3.248936981	-2.315246658	-1.657117289	-2.476745877	-3.432543507	-3.176344055	-3.012950943	-2.48124317	-2.626136281	-2.598387895	-3.446881883	-1.331809937	-3.611338802	-3.029705588	-3.693717826	-2.614741379	-3.412448289	-3.115452075	-3.365662907	-3.959765666	-2.515188552	-0.82144649	-3.41061637	-2.957887258	-3.577162264	-2.232977778	-0.832226363	0.0351265	-2.970830664	-3.287681745	-3.073782505	-2.532874054	-4.747030926	-3.866839475	-3.712830789	-3.079864402	-2.233708523	-3.191324492	-4.32964574	-4.050546944	-2.348216238	-2.237960105	-3.620488148	-3.998579881	-0.164179992	-0.034300334	-0.480924395	0.136949927	-1.657777534	-0.613702336	-3.047471285	-2.575437381	-3.165157485	-2.655052529	-4.040176139	-3.759722892	-2.501390221	-3.548144978	-4.0261224	-3.465456356	-3.629259763	-3.19669392	-3.306537528	-2.489787661	-4.005741547	-2.725829174	-0.157592568	-0.189728228	-2.24635033	-2.55318239
Threonine	-0.641840534	0.165455321	2.610665262	2.485818329	-1.233405928	0.331297514	-1.408119394	-0.03096901	-0.348697049	-0.34396619	-0.838279597	-0.894396336	0.221995435	0.836014821	-0.811684823	0.171434531	-0.695681563	0.118924222	-1.175050993	-0.056145116	-0.361692045	0.672358658	-0.479757722	0.617550134	0.177327671	0.180086281	-1.459599391	-0.770172404	-0.606894467	-0.594785342	-0.556504935	0.014868457	-0.426658447	0.674267956	-0.074247592	0.445264956	-0.207258178	0.606605766	0.054193133	0.409789128	-0.132464993	-1.030751339	0.98470796	0.734330618	0.326084202	0.855971096	-0.53219425	0.659501734	1.293885963	1.155698612	0.071902208	-0.082432703	0.054700437	0.183354644	-1.411201401	0.0546934	-0.21915034	0.93354033	0.636319847	-0.300521593	-0.632626685	-1.62227836	0.243368344	0.579127762	-0.319364367	-0.56485526	1.652496065	1.327290644	0.463819699	1.554724625	1.010736475	1.890559818	0.118526305	0.233236446	-0.193919971	0.357236684	-0.67776205	-0.389467981	0.705370805	-0.551724145	-1.103585859	-0.405249798	-0.381369885	0.165512165	-0.066314921	1.039643486	-0.975827843	0.975707193	1.089834309	1.157455066	-1.254450196	-1.119823991
Alanine	-3.118474569	-1.211128038	0.996015384	0.923346791	-2.191407532	-0.630553	-3.645915316	-1.172703686	-2.701659116	-1.891932093	-1.325385376	-2.894686885	-1.464079419	-0.937156591	-2.462374847	-1.576133884	-2.310900602	-1.086038272	-3.115446426	-2.561796071	-1.632666092	-0.790828754	-1.646568765	-0.286615793	-1.147883292	-2.421574499	-2.278099861	-2.344314199	-2.872283136	-3.193688932	-2.13425817	-1.629137691	-3.140925051	-1.389057619	-1.801184951	-0.059518686	-1.576489995	-1.4736417	-0.638821829	-1.331814987	-1.96855061	-2.182288943	-0.437355114	-1.071449004	-1.269617082	-0.907291539	-1.343089409	-0.417372822	1.307044526	-0.116751657	-2.63388807	-1.681728539	-1.478572946	0.186583129	-2.67096752	-1.152581542	-0.459854423	-0.273450718	-0.833471728	-1.687140083	-2.400313508	-2.653837783	-1.666425707	-0.558475194	-2.086389347	-2.211313653	-0.624544004	-0.685118407	-1.783956171	-0.604518797	-0.499067585	0.029134766	-2.269734794	-1.415658049	-2.54850675	-2.691914167	-2.306240319	-1.890052841	-0.647609905	-2.361272316	-2.752347762	-1.180198513	-1.116476757	-1.165294198	-2.898989578	-0.35366335	-1.749848964	0.09603142	-0.644731567	-0.419366549	-2.052199851	-2.590588311
4-Methyl-2-oxopentanoate	-5.135410129	-4.883648718	-4.202001773	-4.190069925	-3.834371484	-4.667281355	-6.242651819	-5.58928413	-6.585261567	-5.640971742	-4.235998277	-4.89861945	-5.281904788	-5.785640636	-5.584979973	-4.322727336	-6.983075837	-5.388192216	-5.493612054	-4.552837075	-3.911840794	-5.182040929	-6.068867149	-6.173896939	-5.177956667	-5.959178744	-5.840200517	-5.48300563	-5.033336269	-5.79786081	-4.945811369	-5.286264964	-7.225467627	-6.205803851	-5.649214418	-6.337536281	-5.655055479	-6.322914856	-6.193783855	-5.088491659	-6.256623132	-5.100473182	-5.183182806	-5.279201669	-6.096817261	-6.212053996	-6.216161457	-5.778546315	-3.391217111	-4.630712562	-5.668807678	-5.44731537	-6.506456945	-2.963367788	-5.243761945	-6.11738206	-4.793706567	-6.974092853	-4.976855672	-6.011791672	-6.525247973	-5.288749101	-4.816628611	-5.771567114	-5.023420891	-5.689117194	-5.687496474	-5.058641221	-4.344746706	-4.868567935	-5.310698872	-6.130264486	-6.582722166	-6.105670939	-4.307745318	-6.219713316	-6.573324261	-6.996866678	-6.802495472	-6.489103714	-6.965855256	-4.96656388	-5.264085448	-6.688328645	-6.195907268	-5.672012499	-5.088515884	-6.365941481	-4.558998085	-4.944863287	-6.972840585	-6.867940724
Deoxycytidine monophosphate	-9.724535355	-7.773978706	-8.217163947	-8.633944955	-6.27436571	-7.149114088	-11.88590009	-11.91749155	-11.57266677	-8.275736421	-7.049774516	-6.760834482	-8.565972126	-9.903405577	-8.490802058	-8.565921783	-11.52334384	-8.897035891	-10.69732466	-10.15463853	-7.662304397	-10.44132365	-10.90370052	-9.799468252	-7.98240474	-4.566727658	-8.010374837	-8.304621907	-8.699561187	-11.31651296	-8.27719968	-8.032650644	-12.53459921	-10.6127016	-8.795160008	-11.28178363	-9.038976334	-11.06619124	-12.57851478	-8.390187322	-8.71700646	-8.3198581	-7.669586938	-5.445492403	-9.543489671	-12.80664342	-10.2705613	-10.31741858	-5.399970112	-6.59751897	-7.563649081	-11.99408996	-10.1764469	-9.44533511	-7.111274039	-7.817104843	-8.651844566	-9.606617899	-8.065343192	-9.314945775	-11.5002063	-8.348567485	-6.837498523	-10.51739194	-6.827642748	-7.300190074	-8.720957759	-7.174315163	-8.467029766	-8.222779093	-10.57635426	-11.40498215	-11.74857548	-14.3016231	-5.965144318	-12.76659888	-10.07962816	-12.67690828	-11.18236522	-11.14469728	-10.75933287	-7.129301415	-5.971952139	-10.18355386	-10.39578423	-7.555628269	-9.500023917	-12.53598836	-9.43929804	-9.134565729	-7.753509337	-8.318335949
Hypoxanthine	-0.686542785	0.26743944	1.509456371	2.267268663	-3.543570348	-1.616006839	-3.228575701	-1.446372936	-3.244160252	-3.554377474	-2.636122012	-2.291566936	-3.407209058	-3.395560618	-6.234776181	-2.183381364	-3.731552288	-3.057423037	-3.046257026	-2.302946321	-3.152426084	-2.49540542	-4.934519264	-2.99573914	-2.716398389	-3.521781658	-4.302951849	-4.181051615	-3.015650087	-4.637406712	-2.170320759	-3.95740367	-6.778613299	-1.820739524	-4.012347995	-4.576733965	-6.267678293	-4.310966125	-4.360139654	-3.591827716	-5.513405737	-5.902359978	-3.80278653	-1.471693994	-4.851012398	-4.712863245	-5.782757979	-2.844492408	-2.204289035	-0.733156702	-4.511725892	-4.732293831	-5.525687419	-4.040535389	-5.447023446	-4.388932874	-5.203510155	-5.34899697	-4.495556029	-4.570025809	-6.918928844	-6.135899605	-4.226905433	-3.447791546	-3.845129239	-4.510087682	-1.414357944	-0.995746737	-1.179535888	-0.371547377	-2.233596073	-1.885585332	-5.053342569	-4.923937428	-3.316795077	-3.383923747	-6.884075868	-6.503040413	-3.418607634	-4.484099674	-5.36612304	-4.124759697	-4.156903251	-5.19076462	-5.721684751	-3.216771139	-4.469576093	-4.533214399	-0.417883456	-0.686701661	-3.26209711	-4.301722165
Homoserine	-0.641840534	0.165455321	2.610665262	2.485818329	-1.233405928	0.331297514	-1.408119394	-0.03096901	-0.348697049	-0.34396619	-0.838279597	-0.894396336	0.221995435	0.836014821	-0.811684823	0.171434531	-0.695681563	0.118924222	-1.175050993	-0.056145116	-0.361692045	0.672358658	-0.479757722	0.617550134	0.177327671	0.180086281	-1.459599391	-0.770172404	-0.606894467	-0.594785342	-0.556504935	0.014868457	-0.426658447	0.674267956	-0.074247592	0.445264956	-0.207258178	0.606605766	0.054193133	0.409789128	-0.132464993	-1.030751339	0.98470796	0.734330618	0.326084202	0.855971096	-0.53219425	0.659501734	1.293885963	1.155698612	0.071902208	-0.082432703	0.054700437	0.183354644	-1.411201401	0.0546934	-0.21915034	0.93354033	0.636319847	-0.300521593	-0.632626685	-1.62227836	0.243368344	0.579127762	-0.319364367	-0.56485526	1.652496065	1.327290644	0.463819699	1.554724625	1.010736475	1.890559818	0.118526305	0.233236446	-0.193919971	0.357236684	-0.67776205	-0.389467981	0.705370805	-0.551724145	-1.103585859	-0.405249798	-0.381369885	0.165512165	-0.066314921	1.039643486	-0.975827843	0.975707193	1.089834309	1.157455066	-1.254450196	-1.119823991
Adenosine diphosphate ribose	-1.996580831	-4.693220107	-8.451379474	-8.243523166	0.255693564	-1.697755346	-2.4546075	-3.385098414	-1.086684226	-1.151112898	-1.04439332	-0.703185128	-0.625334404	-0.431507472	-1.677535845	-4.051001478	-1.827060695	-0.97238394	-0.926693006	-0.599978551	0.058318111	-0.533743073	-1.318062974	-1.632517909	0.321385365	-0.124769333	-1.196315987	-0.907243968	-0.810018814	-3.590578423	-4.501949056	-0.195907169	-3.835709745	-2.664720937	-1.310667297	-1.329735988	-1.516649721	-2.320302334	-2.073130514	-0.89242071	-1.43355782	-2.307106029	-0.912583802	-9.829939805	-0.827338195	-1.968939151	-3.888880058	-0.513530889	-6.630052533	-12.67862684	-2.269344679	-1.285652661	-1.085959082	-2.226804828	-2.014910388	-1.883309275	-1.967110808	-3.664231521	-0.471109773	-1.732470212	-4.389778434	-1.62308929	-0.780838519	-1.388905823	-2.353500643	-3.360976199	-13.66681959	-9.899981725	-10.2847002	-9.543721368	-10.26855446	-11.89348181	-1.197131111	-2.719837429	-0.925478978	-0.125797815	-1.319219504	-4.236384787	-2.969434328	-1.320519476	-3.380844338	-1.396449703	-2.372486358	-1.124039725	-2.112485374	-5.003837169	-1.306172117	-3.15465593	-11.15019012	-9.172114515	-2.356098388	-3.393833421
Spermidine	-3.252482658	-5.681506716	-6.761891402	-4.989512576	-0.953764341	-4.162576268	-6.073584022	-6.024843328	-9.733365633	-4.39100511	-0.759841564	-0.889207135	-2.087846999	-4.398661635	-1.575846157	-1.434695899	-9.181322171	-1.487303872	-3.480751953	-2.320348034	-1.341071233	-3.061184173	-5.942915924	-8.142461638	-5.302191956	-3.269974917	-2.487887812	-2.019910261	-1.728683682	-8.153975048	-1.351025243	-0.835710876	-10.74969001	-7.371611455	-2.366558585	-8.841614596	-2.540517555	-7.741075872	-5.056026334	-1.204850008	-4.781355076	-1.286805184	-2.780185389	-1.599584788	-3.237314752	-7.548421497	-9.688111116	-4.783162268	-1.097853769	-4.536445192	-7.413668291	-2.238253492	-6.616953059	-4.915455553	-0.387062563	-0.698209807	-1.001909099	-8.525188277	-2.955372028	-3.365408195	-9.441719511	-0.81941869	-7.7036968	-8.714318212	-0.211891423	-1.309845108	-7.134714175	-4.834116998	-2.353287242	-4.79951576	-6.473139152	-8.704306328	-10.92815948	-9.942061767	0.888022919	-5.79046837	-5.418362448	-10.16457551	-8.752817884	-5.723691348	-9.056987598	-1.074386994	-0.582088269	-7.798653066	-10.08958379	-9.702173251	-0.779424569	-9.56613797	-6.581014656	-8.279029719	-9.686575481	-11.24454974
Carnitine	1.271971261	1.663989756	0.970844861	1.87951242	1.703140473	2.734381558	-0.03074156	1.491246599	1.542345292	1.152665834	0.571769452	1.133594243	0.568679087	0.592799815	0.082798225	1.262789577	0.263646868	1.534070535	1.290215839	1.649492358	0.829365811	1.306004901	0.682344747	2.358645831	2.508615512	1.406981843	0.773735254	0.639517073	0.722591367	-0.706409484	1.276376902	1.490233193	0.351594871	1.611365398	1.431770372	1.677173454	0.627844548	1.586095521	1.232119845	1.494116623	0.305851928	-0.026577728	2.454483002	1.817303167	1.408022917	1.310141493	2.793316185	2.362688905	0.028239446	2.362760354	1.313825832	1.366266694	0.648368123	-0.635182349	0.660537793	1.095675138	0.882569748	1.966574831	1.659018475	0.85961552	0.646054304	0.837687338	0.884136988	1.261218649	0.951992058	0.900490323	2.40721209	1.714468404	1.108143167	2.011316771	0.996491842	1.799914045	1.086052351	0.490784487	1.525897137	1.068390487	0.353764994	1.274241645	1.756478481	1.151934871	0.762962894	1.109559118	1.391126877	2.165806943	0.546033407	1.81741213	-0.06965065	1.749875942	2.197599418	1.936608171	1.114234272	1.005997199
Citrulline	-4.587804177	-3.730928728	-2.448629101	-3.109770736	-4.672123837	-4.234147297	-5.433702236	-3.086008352	-2.903019053	-3.80458519	-5.538685978	-5.390829079	-3.926666719	-3.701575749	-5.529348655	-4.395293634	-4.275598264	-3.593712813	-4.373754954	-4.127901115	-4.768908089	-5.037261946	-4.527791488	-2.685003195	-3.802096803	-3.826885577	-4.253756117	-4.457078634	-4.263803963	-3.577499539	-5.295564381	-4.532607351	-3.883964342	-3.270032903	-4.586613852	-3.897699611	-4.617666185	-3.844185508	-3.931789749	-3.681211833	-4.064633909	-4.742112805	-4.208285106	-2.636220829	-3.844021764	-3.14805938	-3.572446532	-2.21727636	-2.111871139	-3.046423992	-2.890392074	-3.621655248	-3.719384716	-2.424727331	-5.431470421	-4.178669915	-5.06519415	-4.292949555	-2.724395468	-3.498612596	-4.703756674	-3.495333841	-3.475180752	-3.036481817	-5.509610407	-4.166368374	-2.750622879	-2.798896594	-3.394098419	-3.688694479	-3.759749631	-2.244766062	-3.768329814	-3.399653633	-4.595428926	-3.630775704	-4.854005446	-3.895319231	-3.252204454	-3.815518409	-4.427461717	-3.941236726	-4.219510767	-3.280060773	-3.237093488	-3.558337693	-5.544019449	-2.926326543	-2.823419684	-2.070747142	-4.544390048	-3.803382228
Kynurenine	-5.897688746	-6.891479166	-6.058206175	-5.982753121	-5.12852536	-5.896485529	-7.736468391	-5.207797403	-5.86027263	-7.118214188	-7.259523095	-6.009592843	-8.445133615	-7.850580461	-9.289371832	-8.388323768	-8.833788503	-7.200517772	-6.646990698	-6.329987008	-6.55922279	-7.265674669	-8.472850406	-6.882636318	-5.600747924	-7.038161832	-8.480832572	-8.064574257	-7.442536881	-8.142500308	-8.426948161	-7.709293939	-8.939203353	-8.497552636	-8.191844129	-7.169849142	-9.725311039	-8.873569901	-10.2886479	-9.376607884	-9.462470034	-9.442190508	-8.104909362	-7.878818904	-9.226756078	-9.249238851	-10.3327533	-7.846415993	-8.204863416	-7.129774635	-8.565085084	-9.241770741	-8.757163836	-8.797668863	-9.713952698	-8.349622978	-10.07132319	-9.16911306	-8.150102053	-8.796723104	-10.18956401	-10.24494864	-8.318115341	-8.785558805	-8.901852084	-9.11231474	-6.713246695	-8.04248695	-8.113803069	-6.346367281	-9.322160848	-6.278662107	-7.684200787	-8.410273351	-9.021494453	-7.749591436	-8.816611269	-8.623968208	-6.535147759	-7.072531512	-8.151265444	-8.937036148	-8.668357185	-7.11734533	-8.462110802	-7.405675082	-9.021151369	-8.551871401	-6.507985723	-6.850668041	-5.833767425	-7.706761294
Glucosamine	-5.283964524	-5.456628023	-7.85553767	-7.629757781	-3.995602152	-2.491447428	-3.965913719	-3.333308706	-2.276256971	-2.760081097	-3.847417392	-3.823733842	-4.323010994	-5.033650062	-4.627230678	-6.681913126	-3.528268498	-3.065155688	-2.998054264	-2.621751801	-2.95070885	-2.42683059	-3.553095019	-2.947761049	-1.956961238	-2.663343561	-3.820807551	-4.295276255	-3.194746907	-3.906753662	-6.001589868	-3.242710602	-3.77312036	-3.322370964	-3.522542181	-3.490337584	-3.622284746	-3.129860318	-3.800782414	-2.732001984	-3.984079519	-3.899527275	-3.157791632	-8.205233796	-3.525310081	-3.320085359	-4.315509982	-2.940022435	-3.06906698	-5.19405057	-3.332990567	-3.491022245	-3.840414144	-3.21285441	-3.99247138	-3.67847976	-3.825628463	-4.279792101	-2.946609829	-4.086019829	-3.958235467	-3.246419241	-3.397438382	-3.918503105	-5.980283382	-4.863727943	-5.1461027	-6.599404837	-8.317004322	-7.772720391	-7.835267043	-6.055218622	-3.514183659	-6.82507939	-4.656648288	-3.650410832	-4.247217657	-3.874154778	-4.200892211	-3.860406282	-4.234296479	-4.371559665	-4.210680251	-3.859706588	-4.130326565	-3.687596972	-4.648571064	-3.709501727	-6.101615141	-4.237939447	-2.634797709	-3.565011836
4-Aminobutyrate	-7.414965617	-6.481276851	-4.252732133	-2.126727017	-5.965301072	-7.870192696	-8.840924476	-7.692083246	-8.46437311	-9.128463071	-7.729969665	-8.325102014	-8.427005697	-6.499699165	-7.424768052	-8.495704707	-10.50824748	-7.421779803	-9.622820531	-9.041969313	-8.667311062	-10.25982926	-7.405791704	-7.45860236	-6.900332755	-7.807683684	-8.373864769	-7.358974587	-8.38855926	-10.08457353	-8.902507864	-8.070713785	-10.95546579	-5.024165685	-7.562053095	-7.186185308	-9.881815525	-9.321724022	-8.25831723	-8.581952439	-6.792440798	-5.586664158	-6.258742759	-4.793690376	-8.430243093	-9.977095376	-5.799849805	-8.812010256	-7.246381088	-3.848968236	-8.050546393	-7.447631438	-8.368446758	-8.873773442	-7.553465623	-8.972592301	-7.4956647	-9.321415606	-9.591443215	-7.632160539	-8.243318876	-8.007425788	-8.980776892	-8.150558724	-5.694442181	-7.158463569	-3.725190281	-4.29045043	-5.224123588	-4.450891083	-5.01013517	-5.291805246	-7.20781278	-9.534321424	-6.073945348	-7.971658419	-8.277538167	-8.817604547	-7.60421049	-7.653210442	-8.779458384	-5.705305489	-5.945599609	-7.763972265	-8.941612731	-9.03896028	-9.650323299	-7.807471955	-5.321051177	-5.128216614	-8.684974023	-8.738351125
3-Hydroxy-3-methylglutaryl-CoA	-9.850820333	-8.823902649	-10.49386209	-11.40184707	-10.27575837	-8.784912554	-12.07261659	-12.77907752	-8.546433434	-12.33449205	-13.47318413	-12.4028514	-12.28692678	-15.4215401	-11.93765615	-10.56024898	-12.92785312	-9.98171484	-9.892391853	-9.418548444	-12.48160036	-13.89879642	-11.09458721	-8.018296389	-11.23523765	-10.04280792	-12.83687165	-13.31296712	-10.33629734	-14.28013446	-9.801906013	-11.76224419	-11.67950971	-8.734213768	-12.58801757	-11.24660303	-9.889600999	-9.856224644	-14.50682205	-12.58698803	-13.90051392	-14.98923926	-11.77875715	-12.65181515	-12.01873469	-13.32569648	-12.97382768	-10.17217438	-13.00465123	-13.72140087	-13.04372361	-12.86178267	-14.53306912	-11.49887539	-12.05473167	-10.18941045	-11.45635014	-9.803606196	-10.41537236	-13.5834718	-11.26282648	-11.49284053	-14.68168413	-8.818278137	-10.1345874	-12.33634653	-14.37825009	-12.1046263	-12.86511877	-11.65781611	-12.72499334	-9.49380055	-9.004928517	-8.831303161	-14.90431598	-11.92564495	-11.8979558	-9.807357744	-7.940226314	-10.91058163	-12.38063957	-12.26696346	-12.71757045	-14.65330277	-13.98315524	-13.31953581	-13.02585129	-11.92321401	-13.22381299	-9.957241574	-9.679890269	-7.798646866
Deoxyguanosine monophosphate	-3.252335008	-3.9350751	-6.457184291	-6.210318085	-3.161878241	-2.559708799	-7.252993533	-4.993153256	-2.712336869	-3.551120406	-3.999624572	-5.367471869	-5.465679086	-5.587342016	-5.326454347	-4.74192503	-4.898463379	-4.344377624	-4.335563207	-3.195818523	-3.407923886	-4.181137043	-4.122379414	-2.894133722	-2.522519605	-3.695083726	-5.799233827	-4.917352334	-4.138091584	-6.591682119	-5.238630351	-4.275213527	-4.003409576	-3.470406709	-5.075196476	-5.169425973	-3.556850575	-3.406292074	-4.845463896	-4.425995369	-5.498406709	-4.358084944	-5.142586906	-5.785358067	-4.154298349	-3.118851527	-5.215330771	-4.130173778	-4.569729396	-4.627726552	-4.411148028	-5.166751741	-5.036286928	-4.119005918	-5.363405376	-4.714970745	-5.960740839	-3.984802716	-4.288402237	-5.647584871	-3.864851947	-3.955109224	-6.134919705	-3.638419123	-5.928313709	-5.59147491	-6.431113038	-5.839528701	-6.238005847	-6.553544731	-7.163091391	-6.54631331	-5.448468749	-4.371575737	-5.668738443	-5.274949174	-4.572931202	-4.71962608	-4.062337001	-4.940266648	-6.755155852	-5.180980175	-5.618913243	-4.893399988	-7.087578059	-5.215564799	-5.985567075	-3.44986828	-4.000695757	-5.484473702	-3.1146544	-4.742863745
Thiamine	-12.99987416	-11.7658989	-9.64339686	-9.374642711	-10.78397605	-10.51726756	-14.19905798	-10.70641444	-10.21426057	-9.800265192	-13.08225324	-9.700275937	-11.93023326	-10.76618827	-11.87005334	-10.67259852	-11.19535823	-10.63721842	-13.12416185	-14.451023	-11.43492263	-10.71854086	-12.35878555	-14.34790488	-10.0935765	-9.345759797	-10.05877544	-10.59610112	-10.81950634	-13.21275902	-10.49353297	-10.89319937	-12.16146744	-8.85755733	-12.65695422	-12.60371173	-11.45853617	-10.56007562	-11.77507715	-10.93243712	-11.75423065	-12.61907498	-10.84921014	-9.612991284	-11.99351578	-10.38514754	-12.44866737	-10.92678532	-12.68516356	-8.631386492	-12.15834691	-14.02290366	-11.98672791	-12.46076192	-12.78908605	-13.62749406	-12.1211307	-14.22531447	-10.75296578	-12.56260062	-13.65310187	-13.62237744	-10.94735508	-11.02061034	-10.66375286	-10.43149865	-8.702024917	-9.293254016	-10.07340297	-9.31117649	-9.520378575	-7.572307557	-10.78834303	-10.60647768	-10.97099146	-11.55494351	-13.91435871	-11.78152925	-11.81986817	-11.33442041	-10.92739993	-13.13698309	-11.98874292	-12.58532597	-13.24185722	-11.6890407	-12.03529733	-13.25031615	-7.534894472	-7.987921102	-12.18393805	-13.00993637
Cytosine	-0.220065299	-0.516778309	-2.169479934	-2.251032789	-0.734456575	0.335135772	-1.98179037	-1.689364938	0.46081549	0.50706227	-0.605081552	-0.164450641	-1.850384497	-0.871974187	-2.977580003	-1.673776962	-0.224112532	-0.937665637	-1.574042171	-0.821003041	-0.086362467	-0.1109984	-1.169420145	-1.0848316	1.435027602	0.95739234	-1.196686036	-1.050975157	-0.034026039	-2.101340671	-2.058396793	-0.242141467	-0.568025731	-0.730049516	-1.598146041	-2.553486805	-0.81895987	0.779664172	-1.380116353	-1.142670302	-1.673374881	-2.112747252	-1.505116868	-3.321209081	-1.733995992	-0.871122917	-2.344863297	-1.659693097	-3.813991859	-1.412949907	-0.033543341	-1.152930989	-0.594537741	-1.070628311	-2.754278387	-1.503920432	-3.085062563	-2.318559726	0.634253815	-0.85327004	-0.651494527	-0.755154605	-0.748178918	-1.185966849	-1.533625392	-1.999808631	-1.804216819	-1.694988499	-1.989369422	-1.576043088	-3.849751632	-3.266555107	-0.396905408	0.7063273	-2.097238744	-1.384137521	0.096677618	-0.687191861	-1.692120582	-1.220410967	-1.934197861	-2.758223775	-2.687255349	-1.128414751	-1.157538872	-3.478032914	-2.180519483	-2.679339436	-1.710170639	-2.435809686	-0.325036003	-0.192752482
Guanosine	-4.837912317	-2.956266349	-3.642113792	-4.537692355	-1.228565224	-1.841566337	-4.741236199	-2.834709541	-1.923868745	-0.667572262	-2.636515263	-2.227326798	-2.723411145	-1.440834952	-3.393921912	-1.845023421	-1.874787498	-1.462432042	-2.553856034	-1.337166584	-2.595184081	-0.946218142	-2.838405476	-0.927029963	-0.75646433	-1.080471849	-2.404229123	-3.202948986	-1.583705475	-1.63752356	-2.165394812	-1.37627006	-2.97735324	-3.511294331	-1.171096938	-0.230342172	-2.221435777	-1.112020966	-0.506402262	-1.183240025	-1.283086645	-1.510544202	-0.047453846	-2.37950899	-0.896018884	-0.080778971	-2.488119505	0.21594491	0.386775421	-2.234007418	-0.789818936	-1.150183321	-0.800704874	0.852208301	-3.151915841	-1.283702239	-0.658374408	-0.728045101	0.059586582	-1.545531718	-2.370638441	-1.346646087	-0.613234167	0.05886554	-3.81359415	-1.740223098	-3.835913964	-2.610149062	-4.118665393	-4.576839984	-3.046045164	-3.717301215	-1.093367444	-1.150235765	-0.930661157	-2.756928438	-0.966949972	-1.125730413	-0.912752868	-1.510476811	-1.960701714	-0.977127078	-1.61461671	-1.207035086	-1.208262414	-0.247948512	-1.862021673	-0.674844366	-1.484226745	-1.859894966	-2.616155372	-1.852835283
Histamine	-1.439669976	-1.386681488	-3.455011005	-3.175227051	-0.665576842	-0.392439583	-2.543139234	-1.360466686	0.357736882	0.146835051	-0.727497694	-0.35978917	-1.283817417	-0.948249457	-2.423013285	-0.316792196	-0.213801844	-0.671417531	-0.813685739	-0.163503629	-0.457119954	0.030340059	-1.306408288	-0.522411012	1.024593972	0.096970273	-1.681015484	-1.043132184	-0.128036791	-2.470254259	-0.562458702	-1.171565709	-1.59912461	-0.809839474	-0.98340735	-0.466403816	-0.9477039	0.132981974	-0.648620885	-0.303467769	-1.160184616	-1.428462219	-1.08515255	-6.363262411	-0.794055594	-0.325779901	-2.758574849	0.078193873	-0.828204134	-4.892823582	-0.547122115	-1.047862047	-0.176696312	-1.398513242	-1.826321412	-0.467447888	-1.451808461	-1.157287718	0.584667781	-0.720487652	-0.606211434	-1.08145033	-0.481514354	0.409561855	-1.410209981	-1.505058566	-3.592472612	-2.204904228	-4.419127907	-3.723742087	-3.214537907	-3.741162908	-1.208969249	-0.836695123	-1.171043135	-0.518940627	-0.635677438	-0.812374844	-1.202441062	-0.860267734	-1.445118047	-1.53258271	-1.675090972	-0.864533912	-1.073007533	-0.290785766	-1.352313388	-0.37511325	-2.01298867	-2.036578166	-0.626671938	-1.658020092
Isoleucine	1.174392363	1.713878191	3.970118103	4.03670826	1.716175591	2.131937973	1.282241183	2.424949106	2.475698868	1.280622388	0.935785637	1.226143894	0.952953193	1.009340211	-0.290428147	1.919109607	0.608156007	1.522767605	1.412137901	1.856281728	1.618706444	0.781818137	1.005098954	2.044151055	2.482442693	1.365658323	0.771383169	0.922702918	1.431817387	0.553913158	1.459700682	1.314801813	1.179679203	2.978724949	1.322182914	1.72366116	0.268047343	0.933654623	1.332796665	0.697706064	0.72359461	0.687396083	2.335339151	3.029948106	1.602090951	0.494061017	1.002510526	1.204102692	2.425279708	4.067050609	1.863101504	1.385253795	1.655875175	1.669025237	0.092347753	1.219139334	0.780133629	1.116598592	0.212797983	1.241123013	0.250480027	0.400625442	1.781855309	2.295400323	1.054184615	0.391696442	3.75394835	3.885365936	3.168116249	3.6217543	2.539867504	3.158647905	1.495019367	0.4234119	1.63999455	2.093500581	0.904779407	0.941561304	2.109602576	1.484724673	1.029199343	1.151547184	1.282472021	1.513342016	1.783188081	2.34657315	0.747416409	1.848902045	3.765758681	3.771931273	1.530936461	1.437926917
DL-Pipecolic acid	3.388210931	3.863674797	5.030005562	5.038232633	3.72252801	4.606980833	2.099446666	3.262755623	4.349161574	3.754656958	3.007319329	3.427468078	2.831464977	3.299006445	1.842816386	3.169204128	2.528719424	2.938654705	2.958483499	3.509039297	3.052920125	3.798764941	2.81436499	3.568639821	4.494461641	3.902523665	2.709313357	2.584211434	3.16137829	3.157726327	2.924061093	3.375363674	2.940124161	3.836692256	2.891071169	3.661303123	2.962067472	3.647249517	3.351084012	3.392642494	3.053019731	2.488075765	4.086902999	4.154402138	3.116287681	3.694918164	3.647552898	4.204542473	4.361141008	4.757990529	3.63741314	3.249018085	3.559573117	3.835804813	1.884728917	3.327157673	3.023289956	3.645812421	4.158037546	2.829189807	2.944730134	2.686568057	3.507846645	4.07762827	2.002191378	2.566865966	4.553611681	4.974460447	3.741489213	4.359801424	3.761863509	4.247954666	3.389109173	3.758445147	3.21802835	3.108930888	2.973808915	3.576004739	3.686430465	2.701044265	2.693072688	3.004479702	2.724091059	3.524114678	3.777025236	4.103499633	2.366197846	3.917657568	4.932986679	5.141643167	3.272936494	3.480794757
N-Acetylornithine	0.446356037	1.354847418	2.267145814	1.828304004	0.144974545	-0.069563944	0.021358868	2.004765218	2.679034839	0.979410781	0.105848156	-0.449713367	1.129366679	1.495194588	-0.886498188	1.043848982	1.651206054	0.972146027	0.607148857	1.070320077	-0.549211313	1.915408762	0.954562932	2.623127646	1.31967735	2.349169141	0.288271588	0.374874085	1.285003764	1.784510948	0.307253186	1.389567041	1.71808166	1.666712123	1.223799234	1.558913251	0.625645005	2.288875808	1.594184262	1.438725327	1.054382031	0.615846805	1.286777225	2.502925753	1.632057078	2.084436418	1.438145903	2.59836777	3.073237922	3.000656857	2.246190914	0.99382562	1.732258987	2.425219411	-0.451874742	0.969079981	0.820186975	1.392210878	2.628940529	1.579354146	0.434292999	0.29093668	2.207440393	1.842687702	0.46845714	0.587528279	2.590599039	2.600737963	2.23766552	2.373522176	0.649382571	2.705883419	2.197318862	2.071517096	1.483645929	1.55895298	0.867087805	1.456541538	2.270540283	1.740154431	0.93140551	1.008243175	0.807145591	2.240372358	2.109675211	1.844788449	0.294178088	2.539728966	3.825805794	3.154042111	0.754806473	0.127273858
N-carbamoyl-L-aspartate	-9.110005684	-8.548325574	-7.055167161	-7.895260076	-8.34549099	-10.38157222	-9.118860776	-9.210324172	-8.42018604	-6.835701676	-10.24486444	-9.64962722	-8.548290735	-7.466127956	-9.282101677	-7.797699534	-8.369242975	-8.129429311	-8.843311917	-7.759244822	-8.342549478	-7.352093884	-7.984995235	-7.513784069	-7.767343519	-6.898067846	-8.537488106	-8.440078003	-8.42928344	-7.285217622	-8.580230263	-7.410603476	-7.563315257	-8.81674419	-8.296313395	-7.271756284	-8.134741477	-7.338887286	-8.193421687	-7.848560303	-11.07694049	-8.555194898	-8.051437451	-7.45611936	-7.826893139	-7.350774214	-7.653330731	-7.205501351	-7.651367704	-7.737668287	-8.445581837	-7.960044892	-7.802429164	-9.929919734	-8.679843397	-8.231207118	-8.03675396	-8.069724382	-6.659601125	-8.56357224	-8.226504967	-8.523977807	-6.880893272	-7.745709511	-8.988401848	-8.577861286	-7.596583614	-7.518671293	-8.594340321	-7.952892492	-7.867160266	-7.847587701	-7.663590913	-7.278674095	-8.049151947	-7.785283441	-7.827822444	-7.96519639	-7.451607682	-7.985632855	-8.376905681	-7.821816853	-8.156855492	-7.736585191	-7.107792726	-7.26292796	-8.845982163	-7.761024998	-6.648877739	-7.077531147	-9.430452552	-8.859870129
Nicotinamide ribonucleotide	-7.91584349	-2.889844314	-10.68459968	-9.431815655	-6.967349014	-3.759757279	-10.71171621	-10.09023707	-3.56685635	-8.885136034	-8.508298167	-7.950919883	-9.255170108	-8.555216548	-10.5214432	-5.035233179	-3.612215918	-4.569537872	-5.765844443	-4.657705001	-9.976240653	-6.099635636	-7.456092905	-4.688931132	-6.959670226	-8.013107367	-7.346993397	-6.664519814	-5.663092469	-8.055229567	-5.289398491	-7.662678129	-4.811241032	-4.496398966	-8.367319959	-9.87014779	-8.535745084	-5.513737628	-9.650544469	-6.98410362	-11.24576629	-8.366089358	-9.820745864	-12.56092256	-6.749870896	-5.664839054	-5.815243023	-5.286018595	-10.53968851	-11.20249277	-4.023037193	-6.718254806	-9.756170587	-9.552088314	-10.29104299	-5.521962915	-10.61717694	-5.268950617	-6.105795698	-6.462471499	-6.215092358	-7.031963305	-8.117470403	-4.57001995	-11.6268056	-5.363805892	-10.47023502	-12.67022347	-15.35096444	-10.68845255	-12.66067652	-11.8827554	-3.674877818	-3.058032553	-10.57923215	-7.315055002	-7.410689975	-4.616185735	-2.712891208	-6.321062192	-4.561512426	-10.40501929	-12.06699734	-8.669409103	-4.067081236	-2.885235595	-11.24945129	-4.145939728	-9.755482152	-10.76238371	-3.804283064	-4.285511804
Cystine	-7.668844669	-4.198836243	-0.342496066	0.224593921	-6.42846936	-3.580514327	-0.907731072	-1.030765603	-4.017231155	-5.237316775	-6.975890196	-3.875148515	-6.50071294	-9.171198613	-7.198458017	-3.898962788	-10.34915349	-6.012428384	-8.469806861	-7.358020898	-8.76645149	-4.674218731	-8.295984762	-3.761115794	-9.21642438	-9.154863229	-6.058515919	-6.573910695	-4.546646659	-2.739363844	-4.959880782	-5.410067788	-9.615812898	-3.484851709	-10.61426315	-9.777808142	-10.99158503	-7.837139588	-4.472839091	-9.294000401	-11.12362729	-12.0101285	-6.496329121	0.310271669	-7.885791662	-2.34358308	-10.45328969	-5.987005056	-2.787758531	0.526674257	-7.172154792	-9.076507171	-9.238760488	-4.329889717	-6.168001291	-11.598647	-8.40473021	-12.18611658	-2.785302687	-7.728711257	-10.89205539	-10.57502395	-9.679153531	-6.144156285	-7.413608912	-10.03072025	0.432426651	0.636688843	0.717159107	0.129626933	-0.824612321	-0.800579743	-5.132831212	-3.664851762	-5.341655731	-9.033507299	-10.63103447	-10.61773035	-4.003199713	-6.784261531	-11.69095163	-10.93322606	-8.60157312	-10.93064501	-10.67357346	-7.314440097	-8.130303385	-8.838927794	2.217842042	1.964131642	-6.753051653	-4.244891149
4-Aminobutyraldehyde	-5.818072843	-4.948221713	-3.192610919	-2.770834405	-5.997273012	-4.914327179	-7.026788902	-5.366531043	-5.342468676	-5.50360161	-5.970813716	-5.845831683	-6.195932244	-5.629844406	-6.947834339	-5.29377664	-6.693047543	-6.015654566	-5.949968969	-5.139342341	-5.681104182	-5.122437045	-6.489187349	-5.660628508	-4.679843218	-5.963227924	-6.603012624	-6.706142221	-5.747813321	-6.263303977	-5.691002995	-5.724513372	-6.579146155	-4.80771057	-5.893680917	-4.820713517	-6.163948735	-5.287887424	-5.04698531	-4.869469776	-5.747420621	-6.360392772	-4.086427118	-4.399901811	-6.015095448	-5.058629817	-6.492319796	-4.274013523	-3.91206529	-3.481410149	-5.764939949	-5.908246204	-5.038647471	-5.170766387	-6.871020786	-5.474047125	-5.347658154	-4.415896027	-4.04321948	-5.971231036	-6.12002276	-6.222743106	-4.330074859	-4.197721243	-6.269622352	-5.326879582	-3.421903653	-3.427213503	-4.573314863	-3.644136626	-4.201586808	-3.570185014	-5.9650952	-5.677097418	-4.902681776	-5.811436692	-5.938900983	-6.340871195	-6.161889549	-5.899676959	-6.650790452	-5.33544496	-5.334352173	-5.809312865	-4.857842121	-4.277136229	-6.085340156	-4.083624354	-4.41278721	-3.933645997	-6.048534404	-5.878676443
Adenosine 3,5-cyclic monophosphate	-7.87340601	-7.591715198	-10.22243827	-9.22980799	-6.916033046	-5.198481447	-9.37842186	-7.873021529	-6.047928317	-6.159303649	-8.544697748	-6.339476293	-8.494308398	-8.761771194	-9.212260914	-7.549480636	-7.993315599	-7.772434168	-7.450530178	-6.76234426	-5.972656582	-5.535435276	-8.480906646	-6.998794032	-5.666587807	-6.983578092	-9.060364109	-8.356083699	-7.824443338	-8.654323758	-8.182255717	-6.377034151	-8.787662365	-7.069814209	-7.949925299	-7.829083797	-8.054349315	-6.228976017	-7.279540129	-6.846634066	-8.224159371	-7.759218822	-6.745557727	-9.21993716	-6.641513004	-7.463259325	-8.28229668	-6.293587439	-6.511759947	-8.856756141	-6.726383294	-7.211471124	-7.889267372	-6.264453174	-8.229399531	-7.023527654	-7.351160337	-6.885162614	-6.042571303	-7.199720299	-8.067494746	-7.373670556	-7.384639075	-6.752030565	-7.868926997	-7.214027464	-9.033928221	-10.93518276	-10.22907298	-8.753847548	-9.482720948	-8.552409475	-7.677013536	-7.300121071	-7.601602014	-6.979893997	-7.606445523	-9.087806053	-7.057200675	-7.214983619	-7.737003195	-7.762071663	-7.800795262	-6.79720492	-7.728298296	-7.142920435	-8.787254715	-7.741351145	-8.294686283	-7.681160574	-6.376876911	-6.142242551
Phospho Choline	-5.191779391	-5.267301978	-8.436672165	-7.450819803	-8.806516386	-6.22926562	-9.49770139	-10.49076088	-3.540040176	-7.647209855	-7.314563525	-8.202263348	-9.372704526	-9.030941197	-9.032693118	-8.457457238	-5.718061994	-7.75642734	-6.724652423	-7.127602822	-6.565413761	-5.951504772	-7.266979864	-3.697546862	-4.989490523	-6.846099287	-7.663877977	-9.454550572	-7.683002095	-10.4756563	-10.91316805	-8.509016985	-5.218354179	-5.286446587	-8.135207505	-8.442914663	-6.920848257	-5.752319561	-6.261603759	-7.339219821	-8.808580751	-8.33345812	-8.855911016	-8.510313366	-6.522389377	-4.779586646	-7.296442421	-6.204903916	-6.959703045	-8.082897911	-5.907611211	-7.743162634	-5.788755678	-6.722048751	-8.2908121	-7.677979516	-8.022427524	-4.191386017	-5.467284316	-7.197142036	-5.928723099	-6.911606359	-6.332931116	-4.779131929	-8.502658375	-8.758078685	-8.837731142	-8.147637584	-10.52116437	-9.850942438	-8.602877228	-8.653395357	-6.014584679	-5.122199724	-7.524905986	-6.427899759	-6.493212412	-5.320015116	-4.466105502	-6.721676305	-5.430704206	-7.894489465	-8.312783672	-5.778712316	-6.099164564	-5.092626559	-8.22030812	-3.586282328	-7.743757695	-6.627683937	-3.670392744	-4.675653334
N-acetyl-glutamine	-3.373057562	-1.252752999	-0.714467568	-0.462251448	-3.735940498	-0.913456996	-5.278151525	-3.380890176	-3.452294411	-3.447861974	-5.755122606	-3.323307356	-6.361988781	-3.899975351	-6.73879312	-3.912943303	-5.877277073	-4.228626919	-4.654158945	-3.947394678	-6.198945542	-2.396771142	-5.054547955	-3.162744828	-2.819952459	-2.022528256	-6.393523758	-6.457253146	-5.19391532	-3.639018252	-4.107812241	-4.135652517	-5.942805439	-3.177426111	-6.480025349	-2.722071266	-5.985533584	-2.948674647	-2.841170347	-3.46273293	-6.118210959	-6.587869047	-2.603287424	-4.24132703	-4.690302124	-3.633235308	-6.225349724	-3.815864198	-2.103393386	-4.083208003	-4.066977641	-5.182211881	-3.409313723	-2.691085716	-7.254141217	-4.991114812	-7.976531855	-2.456257606	-4.490494377	-4.348067851	-6.07669548	-6.24062576	-4.229790044	-2.661550516	-7.577024018	-5.182634797	-3.396044554	-3.818217699	-5.324047453	-2.954351465	-4.990230018	-4.092721926	-5.152029785	-4.9360297	-4.781063041	-5.312879672	-6.407800605	-5.900272676	-4.140996694	-5.382412133	-6.551287111	-6.097926769	-6.749359667	-4.401482993	-6.512284887	-1.284010795	-7.927058162	-3.913210626	-3.263780719	-1.971842826	-3.699125485	-2.77047113
Histidine	-0.460781927	0.267262849	2.30929672	3.147662765	-0.535345602	0.054968921	-1.52835906	-0.317254761	0.936182601	0.164137703	-1.709908367	-1.672000141	-0.450149623	0.019187525	-2.057841082	-0.386262168	-0.634255922	-0.119414485	-1.436354009	-0.483110877	-0.759919017	-0.029049133	-1.437876435	0.29890648	0.418402526	0.407216784	-1.506131713	-1.57585152	-1.264217138	-1.02995402	-0.329309239	-1.222307983	-0.040587645	-0.271943228	-0.579277801	0.271986623	-0.658627892	0.501321103	-0.088160769	-0.187110729	-0.535141469	-1.348519829	0.449228856	0.85249277	-0.164238397	0.272887276	0.93866944	0.278170344	0.965567853	2.241525255	0.1542312	-0.376034391	-0.115043999	-0.659943841	-2.073538252	-0.553486289	-1.033841001	-0.504187816	0.05862523	-0.679964772	-0.888385239	-1.026289594	0.224624589	1.211708024	-1.421650834	-1.810300392	2.316311211	1.906131877	0.955558678	1.486346638	0.713070281	1.134243319	-0.083739201	0.284388416	-0.423964771	-0.109797239	-0.6396243	0.012229034	0.603864953	-0.615700285	-0.003086439	-1.162732197	-1.326637411	-0.09518079	0.353342407	0.492708826	-1.35399987	0.832016178	1.991118764	2.637004126	-0.713310474	-1.103473994
Creatinine	0.859639545	0.402946243	0.963217365	1.116375459	0.973562785	1.151900155	1.062703271	0.475941044	0.971595899	0.134907973	0.23161245	0.380873827	0.889302382	0.701818219	0.476388126	0.805639966	0.519230905	0.467630085	0.498699326	0.915671249	0.969787554	0.811874574	1.415714369	1.321106742	1.242169747	3.044796749	0.822001339	0.999672486	1.321340607	1.153591503	0.488232406	0.734882296	1.738183701	2.159455458	0.697540176	0.334064093	1.059650147	1.123857055	0.677927368	1.145400461	0.753740704	0.84249031	0.708746112	3.598723315	1.326886454	1.028261685	0.539800672	0.448041067	-0.857525149	1.140827506	1.95769982	2.009632776	0.629716006	-1.228256053	0.964077791	1.131976697	-0.089338574	-0.310871795	1.705786159	1.526438746	0.030034981	0.257369526	2.189877026	0.869584192	2.380397749	0.866326275	0.899534359	1.853797146	0.597509447	1.074573066	0.340673476	0.393106554	0.467384311	0.229751111	1.131626164	0.738619594	1.110650773	0.704028138	0.375426201	1.247174943	0.780644601	0.416487686	0.794309194	0.463643366	0.613137579	-0.033435874	0.380727393	0.310221677	0.162560222	-0.049871397	0.580659581	0.90459943
4 Hydroxybutyric acid	-0.659173024	-0.173956058	0.268735233	1.296905846	-0.996741048	0.024399085	-1.743778882	-0.187361622	-1.080416738	-1.146903188	-1.025930405	-1.134230562	-1.389866556	-1.358721233	-2.228574741	-0.624601385	-1.340453872	-0.083023424	-1.221963607	-0.878502358	-0.892419766	-0.165743669	-1.660359048	-0.886190391	-0.883814333	-1.501951317	-1.346187881	-1.483744244	-1.385246178	-1.997224869	-0.565696789	-0.957535485	-3.101557325	-0.355700314	-0.495913795	-0.863027601	-1.644707664	-0.220765599	-1.419838267	-0.53127897	-1.636182427	-0.791862437	-0.122588711	-0.776863771	-0.846608046	-0.980959254	-2.430226211	0.160092554	-2.304445988	0.379001021	-0.334965505	-0.925100148	-1.256727953	-2.087089793	-1.947602747	-0.719074808	-1.370164333	-0.648265759	-0.568448198	-0.994035534	-2.854499079	-1.404491256	-0.890147943	-1.139857599	-1.275296332	-1.387747344	0.627916792	0.075645493	-0.463686542	0.039616319	-0.494770231	0.356071477	-0.692224349	-1.033311552	-1.080075807	-0.805338211	-1.930875453	-2.781232278	-0.503176914	-1.199104048	-1.997209159	-1.933125171	-1.470380931	-1.106468053	-1.92089349	-0.367249757	-1.474015656	-0.924872667	0.483445063	-0.086238797	-0.978511181	-0.783184274
3-Phosphoserine	-7.449313871	-7.155333546	-8.731615819	-7.988687393	-7.728029641	-7.092000675	-8.860631599	-8.233717127	-5.655541718	-10.00659385	-8.797908331	-8.547452245	-8.898972515	-9.448221052	-10.06379803	-8.430863028	-7.057183217	-8.990044882	-7.437995991	-7.109110278	-7.698074807	-7.278458034	-8.279703304	-5.92213894	-7.133135362	-8.043537112	-9.480832572	-9.806311296	-8.826633973	-8.986209468	-9.221045291	-8.978168926	-8.044194706	-6.967970996	-8.521129398	-8.275437901	-7.771317715	-7.121855806	-8.296257183	-8.115773277	-9.883531989	-8.76446578	-7.838967886	-8.557378907	-7.692150008	-6.215272489	-8.069596055	-7.158897862	-7.208808203	-8.218016792	-7.455028941	-8.239579859	-6.598855299	-7.534538434	-9.592167165	-7.860119135	-8.315966978	-6.337844271	-6.709079504	-7.932119437	-7.685528422	-7.849932453	-7.399142289	-5.84333176	-8.880536913	-9.395282436	-8.627117162	-7.804744506	-8.796999619	-9.938244846	-8.614501623	-8.380255061	-8.391396864	-6.648761055	-7.902918056	-7.250071819	-8.112100995	-7.835887027	-6.9747427	-7.320180726	-7.235447622	-8.87669575	-8.468931252	-7.214036878	-7.546292396	-7.091179784	-8.915732282	-5.765551532	-8.550351278	-7.666162546	-5.244878235	-6.748620857
N, N Dimethyl Glycine	1.786755582	2.31744191	2.779043094	3.765563953	2.259974047	2.907083841	0.657623964	2.508295369	1.763224353	1.594041382	1.888967456	1.809483529	1.359297414	1.132211625	0.275936251	1.986154697	1.003393278	1.864994645	1.508964348	1.934629516	1.955621886	2.452762117	0.820128813	1.584785346	2.170731078	1.428225926	1.136795405	0.841147408	1.50410348	0.742823558	1.692777861	1.801205608	-0.65212502	2.263421947	1.70703127	1.586406029	0.981637035	2.174623168	1.221971424	2.166494505	0.984810059	1.837160886	2.392169074	2.140201214	1.727938346	1.574511417	0.038163201	3.018514418	0.308133878	3.22734563	2.239773883	1.590728843	1.329186905	0.578630216	0.384273693	1.78260458	1.223974204	1.914794808	2.310858616	1.496460406	-0.191126745	1.470996483	1.518954066	1.63735527	1.609333527	1.265647712	3.219817721	2.841912996	2.031214867	2.762152617	1.933948797	2.793887346	1.905958914	1.641350055	1.573551326	2.048678509	0.583567536	-0.358241374	2.025118197	1.270958755	0.40854635	0.865113663	0.965227589	1.70862598	0.694561505	2.412645263	1.079144802	1.603512911	3.267390027	2.875311125	1.694789251	1.721766573
2-Methylglutamate	-7.197894477	-6.507488959	-6.199105763	-5.405788736	-6.260709533	-3.787049289	-9.170649563	-6.545926633	-6.325955003	-5.134052922	-7.395598803	-6.198490381	-6.817824373	-6.043087594	-7.381338394	-4.802314643	-7.697083588	-6.694380755	-6.648262452	-5.614032159	-6.967323729	-6.492914096	-7.319587661	-5.516109783	-5.70666786	-6.088883717	-8.330016393	-8.105768984	-6.427496744	-7.633464596	-5.794792234	-6.29049023	-8.095190551	-6.08342334	-6.582506129	-5.876744967	-6.625082649	-6.853886635	-6.812778699	-6.364667672	-7.013801205	-7.283261356	-5.28413366	-6.618423973	-6.100213157	-6.053340155	-8.230642906	-5.438827438	-6.785673645	-5.67981776	-6.987651442	-6.920326599	-7.224438162	-5.260444259	-7.444059853	-6.159817327	-5.79480903	-5.75385739	-7.576817246	-6.78451759	-7.390495309	-7.436657396	-6.302257087	-5.06214998	-7.888542492	-7.125919919	-6.031593804	-5.925135571	-7.617301469	-6.967472941	-6.840727502	-6.483786912	-6.918877973	-6.559899311	-5.844211774	-7.458758611	-7.223177457	-7.630018152	-7.170867954	-7.509958472	-7.80789793	-7.083666977	-7.649867202	-6.669684071	-7.415432613	-5.454754185	-6.951892584	-6.086523378	-5.143839618	-5.069183966	-7.631205428	-5.854632453
N-acetylalanine	1.452846874	1.777171508	2.520095135	2.819326063	1.540820924	1.894706347	0.540185643	0.870011988	0.912727735	1.046748378	1.248828411	1.196026493	1.434709178	1.183340685	0.58049112	1.754758771	1.111283632	0.933182831	0.836080141	1.767728162	1.321621273	0.972762395	0.614989548	1.141078865	1.771136381	0.631868187	1.022383538	0.917604128	0.629038348	-0.446302148	1.201159875	1.713136377	0.855705203	1.954631135	0.51082687	0.688508125	1.402125594	0.30508821	1.052736333	1.124971592	0.231533821	0.618953467	0.364203528	0.717001956	0.998931413	1.280505736	1.82416293	1.24515325	1.287767825	1.448490254	0.642489617	0.059308428	0.238468624	0.300164145	0.621239977	1.007316865	0.929373616	0.760833017	1.548114944	0.338300902	0.283972055	-0.025873394	0.040692306	0.88868392	0.103434922	-0.239886971	0.229250574	0.9069929	1.308997584	2.063886377	0.037356389	0.390318367	0.387589549	0.252728781	0.196330478	0.756344737	0.555631279	1.183849605	0.45056644	0.628728536	0.059800116	0.67803847	-0.503175428	0.848863034	-0.035427452	0.904170459	0.485938192	0.564794059	1.975866585	1.333611922	0.771010106	0.701515141
1-Methyl-Histidine	-4.653459893	-3.633117891	-2.797513957	-2.278875899	-3.527335938	-3.420304967	-4.592522757	-3.743064285	-3.844453406	-4.133403826	-5.486366666	-4.433131259	-5.253987351	-4.719973719	-6.088448821	-4.03435599	-5.663840269	-5.510439235	-5.35901862	-4.739874568	-4.821631538	-3.342814717	-4.263169286	-3.646448544	-3.052270384	-3.508669759	-5.300851254	-5.250030211	-4.61188843	-4.244103178	-4.110187663	-4.555659747	-4.148208217	-3.618965306	-5.809414305	-4.618220371	-4.905442342	-3.538345746	-3.824064394	-3.610565105	-5.266830432	-5.593244648	-4.273623584	-4.726685235	-4.86027989	-3.938854186	-5.966470795	-4.639098164	-4.355562073	-4.761506234	-3.264231662	-3.434313216	-4.279168131	-3.641568281	-6.613916659	-4.741431456	-5.091047899	-4.25890678	-3.945902617	-4.492891743	-6.236948858	-6.552093918	-3.803740888	-4.537027933	-7.452432671	-6.158600404	-3.622981808	-3.38258804	-4.995864067	-4.244547105	-5.100019506	-4.712481643	-4.781827166	-4.295250261	-5.667970012	-5.221307026	-4.83556711	-5.266572861	-5.232298621	-5.18983261	-6.184437036	-5.760920056	-6.458808141	-5.068397942	-5.109842195	-4.479088978	-6.20483937	-4.666186282	-4.06918041	-3.501285749	-4.694344071	-3.545192845
Inositol 1-phosphate	-8.031626185	-8.334254464	-10.7857464	-12.0193975	-9.245426188	-9.819324756	-12.81718734	-10.50715798	-7.259763783	-9.377700226	-10.11918568	-11.10289042	-10.74160125	-12.08785617	-11.45645925	-11.40290295	-10.78354824	-11.30956514	-10.50915057	-9.226414326	-10.26094676	-9.330074558	-9.525221564	-8.94910342	-8.632476484	-9.887854033	-11.31003506	-11.16596274	-10.55614879	-11.32686551	-12.11458523	-11.4054928	-8.617429277	-8.789962034	-12.36453278	-11.72071434	-9.052727081	-8.361841379	-12.11007078	-10.04468668	-10.43449249	-10.54895144	-13.70552077	-12.19011097	-11.57042794	-8.313345941	-10.6441552	-11.61534839	-10.0313116	-11.82882994	-11.4117034	-11.6288055	-11.54674406	-9.158675937	-14.08644053	-10.61066145	-13.59572125	-9.711352736	-10.49300659	-12.14206959	-9.315310719	-9.774956675	-15.16873288	-11.0225395	-11.9929481	-13.18434344	-11.83754989	-11.33171982	-12.28505032	-12.92467283	-13.29856234	-10.99609687	-12.37035825	-10.97557889	-10.98623622	-10.55710054	-11.10786101	-7.450954136	-10.82652954	-12.26492638	-12.68446495	-11.02756591	-11.34891849	-9.773021098	-13.17838533	-11.94146905	-15.97462597	-9.594644397	-10.96677076	-10.29572052	-6.602578554	-10.58033793
Kynurenic acid	-9.204968351	-8.6530983	-7.204819415	-7.27453223	-7.131358981	-7.749304003	-8.754151477	-7.83445551	-7.578250887	-8.148296831	-8.007717695	-8.327889342	-8.728400286	-8.177241143	-9.147198758	-8.517774553	-8.845335164	-8.307261395	-8.071732896	-7.733323883	-7.639986962	-8.477547993	-8.745573571	-7.848015905	-7.300434311	-7.053348983	-8.510175973	-8.337091556	-8.138891599	-8.431299575	-8.737415916	-8.240638787	-8.94537697	-8.112587597	-8.290855723	-7.903808226	-9.245352019	-8.839897002	-8.40706926	-9.418857704	-8.17880818	-8.520411603	-8.034330006	-7.607357851	-8.213122293	-9.697944442	-8.515325216	-8.868854305	-7.638501435	-6.618696083	-7.667480607	-8.328954815	-8.687247725	-8.092627243	-8.593875171	-8.788317784	-8.244819946	-8.359065857	-9.43137284	-8.203722579	-7.89927284	-8.310929827	-8.638764407	-8.25819759	-8.1645684	-8.148027803	-7.37607661	-7.295802197	-7.90815577	-7.703149063	-8.260630757	-8.091134243	-7.923629394	-9.642459654	-8.065802132	-7.757269064	-8.492215248	-8.071948875	-7.689446292	-8.878565916	-8.376370942	-8.771420832	-8.274557857	-7.778725797	-8.368666786	-7.976726288	-8.472495726	-7.693339794	-6.773854119	-6.873585399	-8.398128656	-8.338152962
5-Oxoproline	3.388210931	3.863674797	5.030005562	5.038232633	3.72252801	4.606980833	2.099446666	3.262755623	4.349161574	3.754656958	3.007319329	3.427468078	2.831464977	3.299006445	1.842816386	3.169204128	2.528719424	2.938654705	2.958483499	3.509039297	3.052920125	3.798764941	2.81436499	3.568639821	4.494461641	3.902523665	2.709313357	2.584211434	3.16137829	3.157726327	2.924061093	3.375363674	2.940124161	3.836692256	2.891071169	3.661303123	2.962067472	3.647249517	3.351084012	3.392642494	3.053019731	2.488075765	4.086902999	4.154402138	3.116287681	3.694918164	3.647552898	4.204542473	3.268038305	4.757990529	3.63741314	3.249018085	3.559573117	3.835804813	1.884728917	3.327157673	3.023289956	3.645812421	4.158037546	2.829189807	2.944730134	2.686568057	3.507846645	4.07762827	2.002191378	2.566865966	4.553611681	4.974460447	3.741489213	4.359801424	3.761863509	4.247954666	3.389109173	3.758445147	3.21802835	3.108930888	2.973808915	3.576004739	3.686430465	2.701044265	2.693072688	3.004479702	2.724091059	3.524114678	3.777025236	4.103499633	2.366197846	3.917657568	4.932986679	5.141643167	3.272936494	3.480794757
Acetylcholine	-2.835944495	-5.574150922	-4.523402172	-3.502672666	-3.250979505	-3.568938445	-4.129672942	-3.26775198	-2.354995219	-3.742875756	-3.106329707	-3.127654616	-3.002577565	-4.823936134	-2.442273987	-4.255263433	-3.509280315	-2.358604479	-2.105100129	-3.168111021	-3.833317059	-3.297995899	-5.34743193	-4.935146234	-3.249107367	-3.689466594	-3.561533915	-4.258977068	-1.872073635	-3.280948583	-3.639614909	-3.631403679	-6.157612642	-4.686044429	-5.050743574	-5.20579429	-5.846634584	-4.293164039	-5.158918647	-4.701295921	-6.880729887	-6.130170433	-7.580532113	-5.67970689	-4.923622568	-4.798603015	-4.147657332	-4.977333622	-7.857482143	-5.837852454	-5.313194651	-5.665934852	-6.418050015	-8.252558406	-6.284980054	-5.353332112	-6.24009748	-0.363425575	-5.469907008	-6.048061847	-6.514834297	-6.539649151	-5.592985207	-5.696627302	-6.908453336	-5.987176454	-5.139621874	-5.220020311	-4.324868397	-3.66706869	-6.58049173	-5.211850038	-5.886706968	-6.124796942	-7.890723312	-6.749822714	-6.118079579	-6.154227231	-5.930275281	-5.643519425	-6.302354025	-5.562304578	-5.277583772	-5.052591041	-7.414899071	-5.723338586	-6.966045345	-6.458574851	-5.868980917	-5.495728987	-4.178198286	-1.595437445
Glycine-Glycine	-4.505591275	-4.275551411	-2.013473303	-1.442106918	-5.250135978	-5.443966783	-4.609337198	-3.890583927	-4.67863872	-5.595629417	-5.632383532	-5.058548915	-4.499661239	-4.544367534	-5.566613517	-3.818132756	-4.6773788	-4.584636156	-4.710750527	-4.302790556	-5.460486963	-5.423667966	-4.500046887	-3.911975632	-5.025165503	-6.297600339	-5.052681424	-4.351555443	-4.921530802	-6.056901923	-4.833942656	-4.517374436	-4.94857665	-2.908835123	-4.238322992	-3.957322591	-5.09477456	-4.87540955	-4.456378497	-4.938920882	-4.966915242	-4.943090654	-3.59976164	-3.178390917	-4.11559882	-5.217684824	-5.007136378	-4.745177959	-3.750520862	-1.974995406	-4.335365565	-4.72516145	-4.295895243	-4.54476669	-5.585240265	-4.329671703	-5.050333831	-4.455191887	-5.116838027	-4.442476777	-6.05914073	-6.360311545	-4.124333378	-3.713461769	-4.587519289	-5.255933191	-2.416148951	-2.403447342	-3.009664851	-1.950007159	-3.020765777	-2.243806031	-3.925888431	-5.354772506	-4.443000846	-3.885581972	-4.797155729	-4.934558191	-3.661166352	-4.154519176	-4.898150012	-4.795691089	-4.475949704	-4.322990283	-4.631645841	-3.820732562	-4.630536545	-3.827642843	-3.532809467	-3.614128148	-5.44214824	-5.100875812
Gly-Leu	-3.373057562	-1.252752999	-0.714467568	-0.462251448	-3.735940498	-0.913456996	-5.278151525	-3.380890176	-3.452294411	-3.447861974	-5.816475933	-3.325204859	-6.361988781	-3.899975351	-6.73879312	-3.912943303	-5.877277073	-4.228626919	-4.654158945	-3.947394678	-6.218927134	-2.396771142	-5.054547955	-3.162744828	-2.819952459	-2.022528256	-6.393523758	-6.457253146	-5.19391532	-3.639018252	-4.107812241	-4.135652517	-5.942805439	-3.177426111	-6.480025349	-2.722071266	-5.985533584	-2.948674647	-2.841170347	-3.46273293	-6.118210959	-6.587869047	-2.603287424	-4.24132703	-4.690302124	-3.633235308	-6.225349724	-3.815864198	-2.103393386	-4.083208003	-4.066977641	-5.182211881	-3.409313723	-2.691085716	-7.254141217	-4.991114812	-5.785498514	-2.456257606	-4.490494377	-4.348067851	-6.07669548	-6.24062576	-7.139347817	-2.661550516	-7.577024018	-5.182634797	-3.396044554	-3.818217699	-5.390409127	-2.954351465	-4.990230018	-4.092721926	-5.152029785	-4.9360297	-4.781063041	-5.312879672	-6.407800605	-5.900272676	-4.140996694	-5.382412133	-6.551287111	-6.097926769	-6.749359667	-4.401482993	-6.512284887	-1.284010795	-7.927058162	-3.913210626	-3.263780719	-1.971842826	-3.581047715	-2.754590536
Cystathionine	-6.147822406	-3.877332906	-4.808706372	-0.378108896	-2.503176147	-2.855373219	-6.667762453	-2.089733982	-3.485028308	-3.766933159	-5.000794679	1.739568066	-5.608018948	-2.862917193	-6.16931771	-1.800546623	-6.96573021	-4.497278118	-4.243460444	-3.109360594	-4.003729501	-2.007675849	-5.689514389	-4.858414882	-3.854606127	-2.165513308	-6.758976626	-6.760987878	-3.513150597	-4.969747984	-2.28071335	-2.416507333	-7.019789728	-3.928336032	-7.720571761	-5.159617113	-5.888263808	-5.028211363	-3.895863897	-3.177045283	-8.226664697	-7.543562208	-4.339139878	-5.227867369	-4.818658585	-4.760216274	-7.904813491	-3.743573013	0.092939074	-3.287511201	-4.554356868	-5.741745251	-3.948840487	-8.714460027	-7.664768391	-4.733397799	-5.822013716	-3.072034394	-5.06683946	-4.503210037	-8.730034299	-7.17589701	-4.714166413	-2.531861246	-7.422281245	-4.984968861	-1.500110641	-4.7669977	-5.859420899	-2.770103578	-6.83871971	-1.267281748	-5.746902232	-5.587999282	-6.648684305	-5.164200742	-7.35852598	-7.902984692	-3.955146763	-3.943547952	-7.369023539	-6.601186648	-7.523757643	-6.379200532	-6.534384257	1.87869322	-6.770415024	-4.579218307	-5.402798714	-3.702334151	-4.322649506	1.114475242
2-Hydroxypyridine	-6.800642375	-7.740592538	-6.037666019	-5.868637915	-5.481572053	-6.192674141	-7.481334355	-6.373305215	-6.16661432	-6.105550643	-6.272126571	-5.72954625	-6.718133363	-6.814277049	-7.277018339	-6.874293235	-7.094994431	-6.555717568	-6.673007009	-6.666453151	-5.729215487	-6.590887654	-6.888859639	-6.979598992	-5.011076919	-6.111211542	-6.814478062	-7.104094312	-6.015132408	-6.977627516	-7.464017084	-6.524201703	-7.327632138	-6.063968708	-5.682338652	-6.706991771	-6.108255021	-6.216433294	-5.853288997	-5.44312142	-6.295438607	-6.785157246	-5.650875486	-5.502714171	-6.350222198	-6.270725483	-7.436251786	-5.728699707	-7.186451644	-5.687748447	-6.794784932	-6.849518124	-6.391453563	-6.175141378	-6.823844513	-6.171215875	-6.259999135	-6.933291859	-5.496377625	-5.946081471	-7.550420183	-6.340721077	-5.527434909	-5.91767543	-5.68687437	-6.463905096	-5.298765304	-5.256031552	-6.611801291	-6.275827174	-6.170100302	-6.66495025	-6.149609777	-6.718773228	-5.268313273	-5.457981665	-6.894438612	-6.885838446	-7.544911829	-6.056558975	-7.498449702	-6.137929574	-5.912417743	-5.44031583	-6.028055268	-6.034096528	-6.306318147	-6.598591269	-5.603602758	-5.921148895	-6.469269583	-7.877491596
Acetylcarnitine	4.041871348	2.485005972	1.245462412	-0.055160669	3.156497391	4.751057091	1.906331608	2.851901169	3.851577493	3.167873269	2.304443966	3.634372269	2.660750842	0.850879604	1.403251183	3.604009077	2.693788481	3.445139558	3.292296212	2.910967794	3.34142425	3.689474867	2.855820999	3.616503166	4.521883866	3.729869271	2.700430645	2.364855235	3.364629016	1.887323204	3.158925075	2.478389434	2.289038324	3.319184956	3.734541211	3.993682575	2.545079357	3.963148264	3.855336814	4.264272289	3.429135822	3.860281603	4.476005065	3.74083175	4.377758199	4.651702024	5.907153638	5.88151657	2.707186503	3.770975176	5.397107305	5.110544385	4.061752471	1.584487977	3.562949465	4.466253433	3.77256768	4.575620528	4.839174729	4.476309464	4.369785165	4.628967543	5.202322699	5.153381759	4.678929992	4.212524962	3.665593281	4.107588129	2.213781701	2.380370106	3.762619983	4.641312279	3.195476856	3.474812139	4.040192043	4.413255499	4.432221015	3.875562604	4.569916985	4.305316224	4.664792994	4.424925942	4.753376348	5.247856784	4.600075842	4.009696821	3.654541123	4.009608841	2.843247354	3.694364615	2.96853231	4.062750092
N-Acetyl Methionine	-10.0011698	-9.924596649	-5.116089314	-4.419229841	-8.493414611	-9.894106246	-11.9937999	-9.66403797	-11.71831437	-11.80983006	-9.741112027	-10.40338583	-11.95704477	-12.15169087	-12.57635588	-11.87857869	-13.85814415	-12.47688618	-11.48681986	-11.25167567	-11.14466675	-14.63098487	-13.85238631	-11.79980155	-11.71328495	-12.16963498	-13.45488412	-12.34878054	-11.82079966	-12.24184939	-13.56408431	-11.36616967	-13.90684177	-8.058827838	-11.81807984	-13.70474165	-11.82196036	-12.1709458	-13.7223738	-11.49041477	-14.2824894	-12.52718694	-11.57375011	-9.561167275	-11.82185573	-14.26487129	-12.25744296	-12.04516911	-9.819007995	-8.594027439	-12.88839309	-13.15563382	-13.08108048	-11.84134297	-13.52301119	-10.36023635	-12.46698794	-12.69151182	-11.63247048	-13.06758529	-14.30381882	-14.07037514	-13.62994056	-13.58325446	-12.14278788	-11.76344173	-8.937150292	-9.744224055	-8.703710778	-7.543980729	-10.97791153	-10.56425109	-11.25103596	-9.840035878	-12.74496022	-13.28093435	-14.48886144	-13.59539402	-14.46858926	-12.69122506	-13.14169185	-12.05139624	-14.44455195	-11.67221686	-13.28577827	-13.52088059	-13.41220604	-13.63026831	-9.249533552	-9.26252981	-11.6294542	-12.64876574
Methyl alanine	1.786755582	2.31744191	2.779043094	3.765563953	2.259974047	2.907083841	0.657623964	2.508295369	1.763224353	1.594041382	1.888967456	1.809483529	1.359297414	1.132211625	0.275936251	1.986154697	1.003393278	1.864994645	1.508964348	1.934629516	1.955621886	2.452762117	0.820128813	1.584785346	2.170731078	1.428225926	1.136795405	0.841147408	1.50410348	0.742823558	1.692777861	1.801205608	-0.65212502	2.263421947	1.70703127	1.586406029	0.981637035	2.174623168	1.221971424	2.166494505	0.984810059	1.837160886	2.392169074	2.140201214	1.727938346	1.574511417	0.038163201	3.018514418	0.308133878	3.22734563	2.239773883	1.590728843	1.329186905	0.578630216	0.384273693	1.78260458	1.223974204	1.914794808	2.310858616	1.496460406	-0.191126745	1.470996483	1.518954066	1.63735527	1.609333527	1.265647712	3.219817721	2.841912996	2.031214867	2.762152617	1.933948797	2.793887346	1.905958914	1.641350055	1.573551326	2.048678509	0.583567536	-0.358241374	2.025118197	1.270958755	0.40854635	0.865113663	0.965227589	1.70862598	0.694561505	2.412645263	1.079144802	1.603512911	3.267390027	2.875311125	1.694789251	1.721766573
N-Acetyl Lysine	-3.218487953	-1.083838562	-0.304919541	-0.17805911	-3.049383394	-2.043781066	-4.319048665	-2.982989275	-2.959123244	-2.804006368	-6.046701837	-2.7676452	-5.015008317	-2.640894088	-4.910618034	-2.748177595	-4.989794758	-3.843655086	-3.620471759	-3.376442887	-6.064046655	-2.053567748	-3.619608376	-2.757214156	-3.33391395	-1.769751586	-5.156304864	-5.345314357	-3.842585554	-2.944890919	-3.184841341	-3.003849758	-5.52534849	-2.679636046	-5.269689224	-1.896661088	-4.597171331	-2.327186544	-2.067989692	-2.473588266	-5.234598661	-5.545808728	-2.105041877	-3.633848195	-3.892665617	-2.775205121	-5.155530669	-2.965967337	-1.67498752	-2.780975105	-3.285254816	-4.558755186	-2.746266275	-1.972037779	-6.052662714	-3.962926449	-4.087896415	-1.820332303	-3.520638172	-3.72031235	-5.220470397	-4.64129372	-3.466069334	-1.875989561	-5.07362286	-4.187617658	-2.570841025	-2.843088989	-4.750107221	-2.294277868	-4.064797745	-3.280033171	-3.900587705	-3.455196195	-3.902954014	-4.144762466	-4.933868757	-4.744965612	-2.996336177	-4.540245729	-5.487364533	-4.900859673	-5.583989368	-3.6069416	-6.042964934	-1.150159913	-5.845153243	-2.747468469	-2.429996921	-1.594269757	-3.418121344	-2.334228676
3-Hydroxykynurenine	-10.39008864	-11.95276163	-10.40151133	-7.815176804	-11.21190499	-9.75130209	-13.36080905	-11.70695548	-11.12223841	-10.21371469	-12.37864625	-11.87085775	-12.25216136	-12.22848523	-14.00013807	-12.35836898	-12.20344058	-12.32812874	-12.43933545	-13.0747179	-11.2578184	-12.84940839	-12.58798636	-12.0543276	-7.355493593	-7.377383229	-14.97203124	-12.60303532	-11.54595302	-15.03250949	-12.78421013	-11.29762877	-11.81637018	-10.54142364	-12.14157888	-14.13732735	-10.25310673	-11.00374647	-11.76930801	-13.29071033	-10.15733427	-12.26896079	-12.79540628	-9.865460522	-12.22828744	-12.83583892	-9.118809245	-11.7689866	-10.04326268	-9.014808921	-11.43600549	-14.58517856	-11.09910189	-12.1027946	-13.46976917	-13.4168493	-12.49875265	-9.773684232	-10.37033547	-11.3763641	-12.18805413	-12.34314108	-12.60282871	-10.52870907	-13.32166936	-11.22211678	-8.780339116	-9.097603242	-10.89099977	-9.810443076	-9.619559788	-9.116435088	-11.41825294	-11.10297928	-10.81561477	-10.86203978	-13.62949494	-9.982714246	-14.02970502	-12.54961639	-10.13283352	-10.54354659	-11.66445911	-9.710171067	-12.39217899	-12.9832238	-13.16727105	-11.61072812	-7.890973858	-7.623068891	-12.52157923	-14.40414337
Octanoylcarnitine	-0.834658163	-1.400858952	-3.934747706	-3.782504076	-1.053841873	0.265246071	-2.771455095	-4.83300608	-1.07784429	-1.963547456	-1.43204477	-0.910444041	-2.519766432	-2.347012407	-1.517354633	-1.706581686	-2.088394003	-1.611568982	-1.545191105	-0.556239108	-2.477787409	-2.237955698	-1.050559474	-0.473805681	-1.504098931	-1.529393144	-3.14901745	-0.603804451	-2.501232833	-3.692715522	-2.198636209	-0.904906404	-4.0908335	-2.229506794	-2.599341916	-2.507865639	-1.318271653	-0.325168077	-3.744796918	-2.497199597	-1.724314605	-3.601450776	-2.224241109	-4.032962888	-1.527010425	-2.642955945	-3.989263988	-2.389985697	-5.749975221	-4.935797037	-1.85023545	-2.270753204	-3.131779016	-5.514533653	-3.191974731	-2.436096714	-4.182867159	-2.979481478	-1.954071607	-2.883287939	-4.714405381	-3.254624104	-3.495058636	-3.444804124	-2.150734345	-2.994054027	-4.095825457	-3.828131589	-5.219149296	-4.027949257	-5.112722097	-4.351668576	-2.707653549	-2.155548464	-3.783444319	-2.032807488	-2.730787807	-3.291211614	-2.630682797	-2.226775325	-2.986839728	-2.791659506	-2.648857935	-0.353695563	-4.962610373	-4.527713914	-3.236054163	-2.765816823	-4.680274995	-5.235232878	-2.252019668	-1.542244585
Butyrylcarnitine	2.6531328	3.115704917	-0.721733255	-0.262301272	2.517200135	3.199192101	0.889269213	1.463466806	2.930798117	2.400312407	1.948662148	1.806406171	2.523816753	0.943839751	2.996440056	3.563701396	1.710391279	2.749985239	2.08945108	2.138282546	1.920453827	1.8639207	3.370912232	4.670321026	3.329381283	2.562872188	1.534755635	1.850425413	2.662889154	1.192494343	3.770225514	2.658780293	-0.093083153	3.080125977	3.139680656	3.194509631	1.557693273	3.321070588	2.757311229	2.479494298	1.514799462	1.499649794	4.180704136	2.002048567	2.391158142	2.033060177	0.566654253	1.661752981	1.329149769	2.566685273	1.960470622	2.151298129	4.112732751	0.689203557	1.177487257	2.598812977	1.730897113	2.402438018	1.345290906	2.561668907	-0.744981609	0.40755165	1.198487622	3.442625148	0.908367759	0.541031922	3.247613699	2.838398675	1.739713944	2.987785112	2.174719143	2.768423402	3.905053019	3.774381783	2.574389664	3.235895844	2.035446809	0.874380947	3.632515937	2.139083365	1.505358927	2.406904539	1.433347288	2.662916492	-0.872360226	1.107044399	2.214323745	2.120450716	1.598057426	1.670964697	1.686061336	2.874418001
1-Methylnicotinamide	-5.650478764	-5.021686463	-4.023053514	-3.604215166	-6.313519888	-4.758201354	-6.862523755	-4.982234396	-3.451379133	-6.686500082	-6.785553813	-6.249196164	-7.702942043	-7.247522346	-8.654202198	-6.849512567	-6.803271104	-5.405323386	-6.298611495	-5.828389312	-5.68915845	-4.094617225	-6.149867278	-5.552242515	-3.811617619	-5.754404165	-8.012324945	-7.07615285	-6.112716371	-7.239053472	-7.024413377	-7.259547249	-7.040472688	-4.692855763	-7.304695943	-6.346733915	-7.683015822	-5.655165611	-7.499512274	-5.820211266	-7.316236313	-8.068112409	-6.818167247	-5.126135932	-6.307773944	-6.468935899	-6.023244938	-6.274854759	-7.59750916	-4.956191519	-5.236460208	-6.408002914	-6.999923074	-8.432306064	-8.516247492	-7.427736005	-8.212263807	-8.03850775	-5.78483755	-7.945461284	-6.508881136	-6.503820041	-6.041012678	-5.192927083	-6.990778916	-6.559217455	-7.016998863	-6.739486136	-6.169802081	-5.013993607	-7.16566647	-5.122495022	-7.654207223	-6.640693393	-7.447639308	-5.055566093	-6.655227195	-6.165837272	-5.115648335	-6.016313422	-7.91816033	-6.881582481	-7.427397966	-6.128005202	-8.704723249	-5.521244214	-8.460026586	-6.005252162	-5.074624498	-5.023507265	-4.728868619	-6.555635282
4-Acetamidobutanoate	-7.582127674	-8.595491153	-7.131690472	-6.25741139	-6.635090456	-7.542863365	-6.792920337	-6.030863499	-6.348100682	-7.297157469	-7.486563357	-7.542513901	-7.283521991	-8.854863303	-8.835289825	-7.263030861	-8.044000061	-7.618346324	-6.761036229	-6.817763099	-5.896232442	-6.456182963	-7.461904648	-7.520223153	-6.315370255	-5.982422985	-8.690030265	-8.460572901	-7.613060848	-8.069438861	-7.474521406	-7.830053072	-8.877586247	-7.004898197	-8.17767301	-8.88741	-7.497967258	-7.914017219	-8.403554192	-7.453905111	-8.437940541	-7.419915267	-8.298067641	-7.344818389	-7.875076892	-8.331424254	-6.959119628	-6.937454076	-9.822137971	-7.000871575	-7.100480117	-7.579577902	-8.160655755	-8.985055821	-8.493153168	-7.886792696	-9.087051145	-9.136773245	-5.892473561	-7.757235909	-8.413909042	-8.653066275	-7.463495075	-7.697397561	-7.283770167	-9.025538053	-7.721124941	-7.821892649	-7.965224772	-6.970868749	-7.396360663	-6.356732974	-8.876151655	-7.927328794	-7.282210703	-8.641934927	-7.999839936	-7.639638599	-8.478037721	-9.340413218	-7.400632585	-8.597892823	-7.483431621	-7.5046255	-8.182076994	-8.759727698	-9.661813355	-9.001631037	-6.764982329	-5.847924954	-5.8551173	-6.430676385
Argininosuccinate	-7.447491345	-7.760296898	-8.075267012	-8.200531648	-8.644826315	-9.32874774	-9.534838448	-9.575169904	-8.770781787	-10.08474914	-7.838336467	-9.066039068	-9.569980481	-9.882381291	-10.14642197	-9.447664882	-9.595606038	-9.288271096	-8.68842404	-7.720760946	-8.272212754	-12.23469855	-10.76917294	-10.94191252	-8.715740601	-9.134494	-9.434139336	-9.553874736	-9.757203853	-10.67803082	-10.52589001	-9.607387697	-10.41840619	-10.37341765	-10.57545079	-13.57609949	-10.22296933	-10.21280202	-9.862307749	-10.246615	-9.931550216	-11.32248267	-10.45250618	-9.651033549	-10.25582121	-12.67550361	-14.68915921	-13.7541896	-10.82886802	-10.25168369	-13.58825768	-12.08991887	-10.52526433	-10.39420075	-12.33702545	-11.88549727	-11.28372	-12.9786745	-11.12779577	-11.86236015	-12.53982389	-11.1811034	-11.7501498	-11.84022711	-9.734757631	-11.88594873	-9.876122008	-9.924149624	-8.777409612	-9.155844209	-12.35608243	-12.18742141	-11.20370838	-11.16802826	-10.76573586	-10.11975058	-12.24305121	-10.97155679	-9.925093373	-10.34585682	-11.66633967	-10.58823778	-11.55635457	-13.40404374	-10.35018737	-15.54096483	-10.67042059	-10.36606336	-8.707164128	-9.056933661	-8.699157628	-10.10859558
S-ribosyl-L-homocysteine	-8.254901461	-8.066462333	-5.389213371	-5.436332308	-11.07121961	-9.191786795	-10.3914192	-8.679484956	-8.919794102	-8.616285573	-9.714759285	-7.583183216	-9.939191991	-8.924305166	-9.664799857	-8.36577146	-9.961726058	-9.808811261	-8.040977529	-7.352293693	-9.207910888	-9.17861598	-10.26851717	-9.303983462	-7.461875	-7.275253977	-10.09163557	-10.67508609	-8.615092961	-9.426520456	-8.293678786	-9.112323697	-10.53343621	-8.692186389	-9.799803525	-11.06357901	-9.171851005	-9.120967781	-10.39377317	-10.02781286	-9.205540224	-10.13474484	-9.44743697	-7.521222265	-9.331153961	-8.972190834	-10.33439217	-9.116707105	-9.563437108	-6.304173436	-9.33797154	-10.79502767	-9.42809956	-10.63236049	-11.01376303	-10.4291509	-9.816511569	-8.953139408	-9.773639343	-10.03982718	-12.57322109	-12.3346224	-9.331266348	-9.634948709	-10.16719474	-9.96972962	-5.708598325	-5.79261554	-8.705818612	-7.935690348	-7.006030307	-6.284385785	-8.914008027	-8.620870099	-9.304511701	-9.446335751	-10.04453244	-9.475119934	-9.838132009	-9.776285261	-9.598387185	-9.480518736	-8.784469971	-8.023690509	-10.62058516	-9.716139888	-10.70740377	-9.174247317	-6.452790276	-5.672321838	-9.285296159	-9.280164389
Dimethylarginine	-2.657438354	-2.275911943	2.298547607	2.976945093	-2.135811799	-4.584439355	-5.143506626	-2.517562792	-4.317778939	-4.390668651	-1.846135203	-2.873522075	-1.473998161	-4.028549501	-1.878932766	-0.310712667	-5.335942017	-3.880003136	-4.204154568	-3.70952811	-1.636995147	-3.603044613	-4.813679275	-3.139146548	-4.373980286	-3.126633498	-2.672694704	-2.028893607	-1.889094872	-4.675407734	-0.674281736	-2.252087437	-4.965974949	-1.255051228	-1.921648585	-4.102879466	-2.137182543	-4.060930333	-3.970755852	-1.081218107	-5.057470294	-1.626582398	-3.320581329	-1.751967118	-4.135207062	-4.307516269	-4.900475012	-3.618941004	-1.654304956	-0.354460205	-4.020675905	-3.923309518	-4.784015594	-2.185096691	-1.029341184	-1.629789934	-1.194904318	-3.578895594	-3.931156615	-3.550986906	-6.450468857	-1.776946962	-4.041830281	-3.132957522	-1.205112149	-2.94707976	0.040187812	-0.500365961	-1.875896286	-0.152331221	-1.832480609	-0.352689068	-4.637806615	-4.443516256	-0.43620713	-4.348118847	-4.861293677	-5.043487096	-3.943825555	-4.571266377	-5.262166911	-1.785120939	-1.641783526	-4.687031339	-5.918199798	-2.632039158	-1.556867985	-3.842866034	-1.605115195	-0.38699166	-3.979919071	-3.912887848
Glutamyl alanine	-2.341939984	-1.749914364	0.571774503	0.579267414	-1.647129762	-1.523349071	-2.580625705	-1.765904572	-1.713041139	-2.962355977	-2.964969786	-2.322809675	-2.883550968	-2.175510772	-3.940188711	-2.750332042	-3.876082214	-3.224495369	-2.988577305	-2.141273746	-2.482539132	-3.680784482	-3.188128938	-2.483471917	-1.897147537	-3.639598458	-3.726390617	-4.328591067	-2.80655396	-3.706947468	-2.845870528	-2.435279034	-3.207243961	-1.326984884	-3.724997376	-2.15615429	-4.188236611	-3.614255325	-3.556865004	-4.22908542	-3.874521305	-4.264247996	-3.338128011	-2.382968947	-4.443605344	-4.857876449	-3.204261391	-3.491706394	-4.14187856	-2.239449644	-3.398647538	-3.751918364	-3.606988556	-3.805667155	-5.019609849	-4.192283294	-4.888894724	-3.633073887	-4.619547555	-3.957929284	-4.302738836	-4.212289635	-4.097054102	-2.721708362	-3.550128765	-3.807557114	-2.190134852	-2.146944683	-1.265603313	-2.097669173	-1.671833016	-1.429766825	-3.059821976	-4.091560613	-3.511324876	-3.128657866	-4.779996437	-3.653988428	-3.531274293	-4.230944142	-3.346272065	-3.402822217	-3.5104951	-3.19442627	-3.277576982	-2.990346142	-5.268812781	-3.348931342	-0.705688972	-1.152080355	-2.806205653	-2.827076236
5-Aminoimidazole-4-carboxamide ribotide	-9.675616838	-8.813198582	-9.545474718	-9.346884032	-10.40651011	-9.779256151	-13.12356778	-11.39305866	-8.2927462	-10.35243553	-12.05866642	-9.832928298	-11.05701377	-10.94021767	-10.43566975	-9.813026002	-9.333546995	-10.53570482	-9.904233466	-9.893793895	-9.760166838	-10.30786496	-10.2317999	-8.775015208	-8.131392667	-10.01658056	-11.21170165	-10.67793044	-9.598222404	-10.40932767	-10.88633144	-11.18989594	-9.950218558	-8.639482497	-11.32702447	-11.73686585	-10.80904276	-10.56221691	-13.21482416	-12.08294552	-11.94085939	-12.171616	-11.14169108	-12.03251749	-10.869331	-9.07995046	-7.127520471	-10.24633025	-12.35479293	-10.30198682	-10.00173871	-11.06562595	-10.61497096	-10.60656102	-11.4043667	-8.284070722	-11.75154606	-10.95948093	-9.633241359	-11.91429629	-10.435564	-11.68364919	-11.21417017	-10.1690477	-13.88760704	-11.34674031	-10.12766077	-10.15364795	-10.818759	-10.97974421	-11.45044722	-10.68670798	-9.394293937	-11.18218787	-9.698281996	-9.445336539	-10.70401392	-10.35128934	-8.823579372	-10.11822507	-8.672526347	-11.18230708	-10.39985636	-11.69992315	-11.00043323	-9.707838291	-13.28194965	-10.00527114	-9.940154907	-9.608496917	-9.139793197	-10.64044377
Ergothioneine	-2.163879062	-1.614825037	-2.355048575	-1.632474034	-1.20892814	0.729402004	-2.548726945	-1.456425163	0.351185401	-0.023414167	-3.122693884	-2.650898281	-2.829642671	-2.058526613	-3.456626617	0.352651034	-3.143762939	-0.765656931	-1.210989059	-0.830967834	-2.611724382	1.457845622	-2.006926551	0.24768275	1.385698527	-0.702378118	-4.708414706	-3.733562014	-2.375948181	-3.289321378	0.330723397	-1.324698058	-3.821842031	-1.948783818	-2.254193487	-1.124439137	-3.149200537	-1.767373982	-4.167535104	-3.890263626	-3.374225795	-3.620386351	-0.448439992	-2.183751773	-1.466551228	-1.832176158	-3.868501552	-2.411919871	-4.133053964	-1.524879848	-0.716168971	-1.480469689	-3.249858432	-3.898673968	-4.147687538	-2.078160212	-2.284624949	-0.863780693	-1.826173901	-3.244842969	-4.923688647	-4.347290253	-2.377826439	-2.026490027	-3.40321285	-3.012038143	-0.393821739	-1.347390222	-3.824441345	-1.975542874	-2.271117044	-2.151594793	-1.741023007	-1.100645696	-2.431878976	-2.699544513	-4.143672501	-4.349137749	-2.758525211	-3.377182002	-3.591725051	-2.80697215	-3.649959625	-1.048327963	-5.042589572	-2.496198889	-4.086100985	-3.394319367	0.3763079	0.325712678	-3.785021333	-2.794776111
5-Hydroxyindoleacetate	-7.390937536	-9.041371353	-7.245981071	-7.303996744	-6.994035558	-7.740881048	-9.744331001	-6.934497971	-7.38988328	-9.016711616	-9.137600705	-7.777061394	-10.68023419	-10.24398466	-12.35471093	-10.25686571	-10.53451576	-9.557680621	-9.027748002	-8.247002546	-7.812087871	-9.432854431	-10.35529656	-8.409517348	-7.9115491	-8.476638244	-4.341736248	-3.38832359	-9.131650957	-10.8545382	-10.6355799	-9.379391663	-11.97309568	-10.60472355	-11.94263229	-8.92460565	-11.98888487	-13.73321375	-13.42161973	-11.1196903	-10.92361846	-11.7994147	-9.294194632	-9.407623193	-12.18839471	-12.47272278	-12.93950022	-11.80665702	-8.001733233	-9.473824929	-10.22470164	-10.66403398	-10.98766019	-9.457117211	-11.27679743	-10.86029264	-11.49234351	-10.83766219	-11.32168295	-11.57626322	-13.98638277	-13.75249388	-11.63974817	-11.34013059	-11.3555787	-11.93079602	-8.090038336	-10.21254164	-8.944197717	-7.708154018	-11.67510702	-8.428189538	-9.745469566	-10.90408088	-8.728406799	-9.762237455	-11.12945864	-10.84160147	-8.625275343	-8.865030057	-10.53481728	-10.01799616	-10.73153882	-9.403212168	-10.59204358	-10.31664753	-10.5149402	-11.12754756	-7.994692191	-8.372208269	-7.812848135	-9.454651276
D-Glucosamine 1-phosphate	-7.964139697	-7.621302081	-7.617837746	-7.116707763	-6.861243463	-6.88580952	-8.31756054	-7.534867519	-6.868679187	-8.632106684	-7.844877792	-7.79728683	-7.92508996	-7.802487303	-8.533452558	-7.632070519	-8.322868772	-7.755402917	-8.232036105	-7.240601621	-7.234313223	-7.080778701	-8.256196551	-7.673187723	-6.461359798	-6.720419072	-7.683800757	-8.377969836	-7.151752546	-8.033796023	-7.729583449	-7.630428391	-8.786189918	-7.570847143	-7.853157121	-8.071991247	-7.887650688	-7.222347069	-7.720881719	-7.635919373	-8.069142116	-7.792415857	-7.558640343	-7.469837098	-7.870825125	-7.431691043	-7.554231498	-6.900275403	-7.571033466	-7.416774904	-7.760359699	-7.775687491	-7.996253773	-7.571987871	-8.33357303	-8.075655692	-7.967669824	-7.853322535	-7.201696296	-8.063857026	-8.349743079	-7.877509077	-7.484992221	-8.396866499	-8.775070785	-8.343569051	-8.001077619	-7.301687912	-7.75656397	-7.150996473	-8.118506504	-8.555068038	-8.025283453	-7.265999186	-7.672201459	-7.567798419	-7.89823384	-8.135229881	-8.576630078	-7.87426408	-8.156917787	-8.571181354	-7.809528158	-8.061632798	-8.105792295	-7.354144782	-8.422001549	-7.452505796	-6.275109408	-6.505630948	-7.795699804	-7.793829623
Myristoleic acid	0.330930858	0.627817562	0.467501098	0.821308133	-1.499939177	-1.130951721	-0.748441015	-0.34323927	-0.594481937	-0.482278656	-1.150728304	-0.877624249	0.496943871	1.144424581	0.42444795	1.112871602	0.530972209	1.080305447	0.212645045	0.702579623	-0.488788572	-0.514111315	-0.931066447	-0.537611703	0.42914071	-0.323688409	0.783635174	0.886008812	0.924311068	-0.601709673	0.423062573	0.995759542	-1.28647748	-0.314621669	0.321647881	0.403845863	-0.517936302	-0.643054855	0.016859848	0.494371331	0.372678971	-0.087525012	-0.651425822	-0.846914182	0.830303805	1.22895591	0.206548602	0.448618891	0.153035512	-1.873674673	-0.555203849	-0.157028074	-1.199996594	-0.957793468	0.263581023	0.847141212	0.732519027	0.484550771	1.460493778	0.514685409	-0.734654023	-0.595116424	0.521511765	0.075825441	-0.25680342	-0.641181792	-0.300642293	-0.108913251	0.661473091	1.359571433	-0.207088186	-0.184075812	0.339067833	0.638921448	-1.326750181	-0.538656831	0.163402382	0.51742161	1.219251138	0.832612488	-0.503187777	0.317926763	-0.199821102	-0.268881114	-0.724227673	0.121377033	0.423537451	0.979869568	0.542870386	-0.088580156	-0.775538706	0.301751277
Aspartame	-6.772402956	-6.026491052	-3.661162957	-3.727075863	-6.099786173	-5.181724977	-6.304925037	-5.194767012	-4.061472646	-6.492949015	-6.737206304	-5.974897655	-7.298297505	-7.277669926	-8.386001158	-5.885655468	-6.977723139	-6.584264725	-6.641336686	-6.073826837	-6.598916081	-7.459404833	-7.441453206	-6.989117077	-4.503649236	-5.667098248	-6.708953702	-6.68892873	-6.222181291	-7.336218733	-5.407548028	-5.254235864	-8.115984861	-6.347252507	-7.158625249	-7.098254924	-8.811426197	-6.826685084	-7.730257674	-6.924288535	-7.293520743	-8.484142283	-6.255998173	-6.926375003	-6.91521177	-6.740482333	-8.24814522	-6.166806239	-7.121250698	-5.705314829	-6.904990312	-7.247945746	-5.912676365	-7.458103409	-7.483589108	-6.856941964	-7.3793403	-6.648568593	-5.630737516	-7.557308692	-8.119842823	-7.437349405	-6.587858592	-5.414608727	-6.363959485	-7.106303602	-6.06940547	-6.090748294	-6.23039991	-5.03343525	-7.667787834	-7.305516819	-5.710122178	-6.109870586	-6.309078916	-6.139327976	-7.998895455	-7.765334762	-6.811806892	-7.683632271	-8.006236766	-8.000916895	-7.626796392	-6.319441252	-6.852065466	-6.320756042	-7.281625342	-7.015137914	-4.94900493	-5.671258013	-6.258929236	-5.887377116
N-Acetylaspartylglutamate	-5.920240963	-6.064957872	-8.858845846	-7.823000283	-6.303846902	-6.249000805	-8.244092641	-7.170557409	-6.229792452	-6.797388233	-8.473184125	-8.192070037	-7.777354514	-7.996266969	-8.653995177	-9.339033489	-9.554708007	-7.187011198	-6.639603554	-5.684614759	-7.495043618	-8.775061049	-7.384447353	-7.579148309	-5.890719538	-6.325501219	-8.729829288	-7.665930911	-6.511934184	-8.992081849	-9.685368225	-6.885153266	-7.285661673	-5.461940737	-7.228265679	-7.065902489	-8.102570399	-8.395688804	-8.78014414	-9.47073496	-8.155397849	-7.380984436	-7.060164573	-8.388172795	-7.177555703	-8.576316186	-9.244596912	-7.769544454	-7.433384631	-6.756257922	-6.862525003	-7.872044363	-9.617854912	-9.462283265	-8.599368712	-9.27625583	-8.758835317	-7.506070687	-9.134601591	-8.795771395	-7.130963854	-7.778150188	-10.05839857	-8.381930131	-8.170364644	-9.671250193	-6.330121763	-6.80678054	-7.377786263	-8.518017944	-9.600415991	-8.749508516	-5.699926001	-7.184313948	-7.375555319	-9.48636861	-8.998796072	-8.336479319	-6.20238574	-9.155725583	-9.410391824	-9.43262611	-9.10937724	-8.341295597	-8.955623337	-8.655239953	-10.30659307	-7.636194105	-6.79333854	-4.631299742	-7.360400141	-4.45907545
Purine	-8.399667619	-8.067800951	-5.572676133	-5.302521956	-7.562635535	-7.72071377	-8.831170954	-7.414770221	-7.376703906	-8.888299146	-8.34508949	-8.521259283	-8.844657532	-8.6102092	-10.79387433	-8.355798228	-10.01953482	-8.687916384	-8.772265354	-8.430714499	-7.353151717	-9.647096164	-9.946370338	-8.366792763	-7.694545419	-8.605024639	-9.317176048	-9.265895751	-8.977122199	-9.404620665	-8.646684085	-8.939518334	-9.712197994	-7.262308939	-8.449627671	-9.110465394	-10.55030138	-9.855239757	-9.196459813	-8.60385888	-10.11532218	-9.483030869	-8.700084612	-6.726968324	-9.983912488	-10.45988183	-10.32393544	-9.127631268	-7.490128857	-5.645971238	-9.120018789	-9.714131879	-9.290739853	-8.568051457	-10.57773019	-9.871673531	-9.588013157	-9.634928295	-9.475620317	-9.834533562	-10.47158466	-10.07822622	-8.617047319	-8.825557421	-7.999634877	-10.62665387	-6.098429111	-6.243809611	-6.422199345	-6.229385875	-7.399067275	-6.920274928	-9.109779497	-10.1806077	-7.337734114	-8.427221448	-9.752621844	-9.68528312	-8.66536222	-9.183414391	-10.09715087	-8.478834722	-8.707461993	-9.56379421	-8.865281085	-8.534134126	-10.04004364	-8.881221684	-5.355968258	-5.745894556	-8.428867775	-8.822908235
Nonadecanoic acid	-6.086264926	-5.995457234	-4.918450404	-3.820130314	-6.066434121	-5.989118763	-9.452585298	-5.606468607	-8.065817366	-6.897936565	-5.604454953	-5.632981729	-7.25062359	-8.14592348	-7.330191446	-6.181945231	-7.034356341	-5.746113943	-7.235480927	-6.344646391	-6.143012404	-7.629588309	-6.532221673	-10.86039072	-6.445288067	-6.208033888	-6.566325347	-5.367210698	-7.569403225	-6.98408662	-7.679078693	-7.795283863	-8.151396618	-7.242676599	-8.746857638	-8.84611639	-7.636685416	-7.057575281	-8.221560495	-8.411580679	-8.024924765	-7.765334088	-7.252540229	-9.428455096	-7.982102818	-6.43727365	-7.235036885	-6.931511473	-9.969523007	-6.202128645	-7.152074781	-9.103731208	-7.442527227	-7.858067744	-8.064418022	-7.600239934	-7.531478909	-7.33203865	-5.977865052	-7.46856322	-8.099222335	-7.484192387	-9.441026773	-7.710814476	-7.373663999	-9.112121995	-6.411285133	-6.739959229	-8.128336407	-6.782517953	-8.378398344	-8.226216658	-7.346496426	-7.797759508	-6.949864915	-7.440599712	-7.680868582	-8.095978642	-7.948446424	-8.558154294	-8.443739751	-9.080854206	-8.555598811	-9.597069126	-8.743529794	-7.057073732	-8.712859023	-7.904541313	-5.661450671	-5.907004959	-6.155987932	-6.122585484
1-Methyl tryptophan	-7.318941796	-8.303310401	-6.593384703	-6.504655794	-6.190545345	-6.539738561	-8.742429203	-7.871807714	-6.971080437	-8.084144512	-8.294393726	-7.061392703	-8.578120456	-9.543572818	-9.096525798	-8.493000268	-9.089710115	-8.421129843	-8.254091748	-8.026759364	-7.848292666	-8.285405508	-8.486064093	-8.683145307	-6.692730137	-8.543606666	-8.681542134	-9.972212815	-8.297969218	-9.08394627	-8.909380742	-8.662749028	-8.310379646	-6.609239029	-7.968165199	-8.33267731	-8.579455851	-8.019657696	-7.86225292	-7.710479669	-8.802709133	-9.097091131	-8.099432342	-9.209926426	-7.82283867	-8.058730654	-8.572295448	-7.535930338	-5.819761922	-7.947956359	-7.403408029	-8.030785654	-7.667972013	-10.60387193	-8.995681178	-7.866668815	-8.757489789	-7.604918587	-8.213392627	-8.774897313	-7.798614037	-7.592509188	-8.39586633	-7.836687099	-8.073014076	-8.274699763	-8.456391756	-8.720584791	-8.379093814	-8.985721022	-8.41224528	-9.032978489	-7.492964552	-7.805730009	-7.788408485	-7.62058302	-8.523756232	-7.81711495	-7.40878215	-8.033837064	-9.565371501	-9.830864342	-8.71073013	-6.869701371	-8.321475351	-7.212688373	-8.835788647	-7.774291549	-7.387481679	-7.117541893	-7.45580034	-8.13563893
7-methylguanosine	-8.706722438	-5.838704023	-8.673838485	-6.805820063	-9.472960289	-5.843755407	-10.63578553	-7.305954373	-7.972655432	-8.388259662	-11.65105644	-7.674487417	-11.00206601	-8.681667457	-11.80486402	-10.93085597	-11.66199442	-9.735604366	-9.160151247	-8.435432566	-9.26932237	-7.567389228	-10.08757502	-7.591573957	-7.861578394	-7.913266452	-11.22918908	-12.31296712	-11.3577262	-12.27439809	-10.42549856	-9.635776729	-11.98656041	-9.523514271	-10.38731525	-8.729717882	-11.7379505	-8.209546909	-9.604143174	-10.49230311	-10.62642212	-10.87570544	-6.778836734	-10.84983117	-10.39369959	-11.52229144	-10.78450708	-7.763234741	-9.353175012	-8.826134155	-10.82977554	-9.633162299	-8.470233824	-12.70398342	-12.36397451	-9.857750035	-12.0859651	-9.439367955	-10.24957862	-11.29989001	-11.83828413	-10.19673286	-10.18623329	-9.862227243	-11.5487685	-11.12285847	-7.441302259	-8.58012282	-10.07612704	-9.411958253	-9.498063256	-9.973444535	-9.923831929	-9.90603796	-10.4549715	-10.85097102	-10.64745532	-11.54523122	-9.141540677	-9.943432573	-12.10815786	-10.11170896	-10.93446307	-9.770230792	-10.31136812	-10.47467441	-12.29323772	-8.911497494	-8.257726597	-6.630741283	-9.012734142	-5.589112683
1-Stearoyl-sn-glycero-3-phosphocholine	-1.221587591	-3.967703651	-1.90053574	0.481543247	0.877844342	1.094517268	-1.300635646	0.494659952	1.655029024	1.107704316	-0.680893699	0.788953584	1.036849663	-1.272462763	-0.949049503	1.912812168	-0.672784735	0.574758759	0.246518122	-1.341760958	0.343916528	0.240231872	-2.104106723	-3.113501691	2.879226116	2.644459971	-0.196322285	-1.135133634	1.876838631	-1.461055878	1.598058982	-1.044191786	-2.859527136	-1.214557753	0.119182801	-1.814407464	-0.755629556	-2.108149415	-0.838984097	-0.630904867	-2.244323794	-1.240856124	1.411093848	-1.633983928	-0.355084444	0.140798083	-1.95575461	0.112222776	0.215098039	0.830609672	-0.917056383	-1.179783023	-1.547310404	-0.271852579	-1.445753234	-0.652535919	-1.398238913	-0.806445321	-0.284143086	-1.188029357	-2.83427321	-0.530850416	-0.444233709	-3.272623739	-0.758351441	-2.097375328	-0.008966845	1.439606092	0.486409297	0.065415198	-1.424269481	-0.915921004	-0.762753353	-1.053945601	0.633962582	0.253969205	-1.209688868	-2.327310563	0.447778323	-0.108555298	-2.600165927	-2.970644346	-0.429142006	-1.660422648	-2.333237297	0.597585659	-1.1574188	-3.269917143	3.778385737	2.625717839	-1.088597414	0.774055146
2-Aminoheptanoic acid	-8.306825208	-8.841348701	-3.68765549	-4.501035417	-7.002492802	-6.928474118	-8.210029096	-6.221393374	-6.629194565	-6.605877133	-7.709699075	-7.593284515	-7.630225787	-6.998290465	-8.158607376	-6.601692644	-8.320083362	-7.104387909	-8.015994237	-7.338695698	-7.26368965	-6.836515298	-7.873337929	-6.200603679	-6.339487615	-5.778673335	-7.562423826	-7.596245247	-7.083268093	-7.841889328	-6.850130475	-7.439587029	-8.208372709	-5.709531431	-6.81499901	-6.326328856	-6.828432623	-5.856881609	-6.838408874	-6.649913662	-7.138372904	-7.646142395	-5.622300264	-3.673055097	-6.655789236	-6.115776779	-8.459356686	-7.421993171	-6.089790296	-4.483681897	-6.348047179	-6.966308885	-7.26313972	-7.488782255	-8.062051897	-6.940106916	-7.073803053	-7.495319354	-5.437713628	-6.334403691	-7.81366939	-7.094507106	-6.282292183	-6.03198131	-6.80820377	-7.002669093	-4.796025557	-4.457059835	-5.782622079	-5.520488026	-5.374362929	-5.130879128	-6.739485679	-6.440979483	-6.297390743	-7.469299127	-7.325371433	-7.954496101	-6.622402419	-6.796100872	-8.005593445	-6.958056111	-7.118494461	-6.410818095	-7.94513016	-6.347566133	-8.561752564	-6.418512721	-4.585727773	-4.355109538	-7.352867376	-7.04248124
2-Aminooctanoic acid	-4.086340122	-5.604731599	-4.849618456	-4.039987883	-4.52624778	-4.284631841	-5.356794225	-4.100718975	-4.890935792	-5.179940387	-6.038868354	-4.705940526	-5.29537267	-6.680440884	-6.125928128	-4.629975788	-5.06874123	-4.000854279	-4.305056296	-5.492806403	-5.002767666	-4.687937318	-4.636368042	-4.746726362	-3.802575942	-3.649587475	-4.870470878	-5.444039185	-5.043161752	-6.317941259	-5.066627852	-5.465681634	-4.952238668	-3.750194295	-4.532470588	-4.777424236	-4.499449682	-3.605353109	-4.557172842	-3.868626403	-5.400887864	-5.842861512	-1.664363519	-4.297572134	-4.999403377	-4.591700004	-3.059972045	-3.329534826	-6.75741903	-5.071163529	-3.588699396	-3.967257866	-4.625997064	-6.860472905	-5.025684566	-4.018061249	-5.200136116	-3.561889537	-3.549712996	-4.42277834	-4.97705171	-5.043754836	-4.423243814	-5.068146008	-4.415510406	-4.969113132	-3.697165829	-3.771954648	-5.138512541	-4.442752486	-5.222188142	-4.156433786	-4.918079183	-5.212948415	-2.294859167	-5.123533308	-4.726595121	-4.532561472	-4.173468296	-4.307381016	-4.658002434	-4.892120127	-4.602434652	-2.418898922	-4.936475678	-3.919884365	-5.730031658	-5.753480308	-4.078087522	-3.283590719	-4.917226283	-3.555025256
Aspartate-phenyalanine	-6.430318487	-5.894742065	-5.186269849	-5.135098572	-6.364310161	-5.393945169	-7.477186726	-5.954173972	-4.327549605	-7.0617116	-7.053412115	-6.922634157	-8.079694162	-7.494570297	-9.212870675	-6.552549113	-7.918066067	-6.608262049	-7.698126128	-6.840951501	-7.248603185	-7.66443771	-8.178739949	-7.084921242	-5.017760722	-6.214959793	-7.223153834	-6.633228224	-6.659924315	-7.80918802	-6.285547191	-5.52942828	-8.690242716	-7.199632153	-7.869741666	-7.147769094	-9.10249743	-11.07686662	-7.680007771	-7.854923808	-7.453480259	-8.130512234	-6.121769095	-4.561236107	-7.418876492	-8.551130074	-8.973955405	-6.996306412	-5.787174733	-4.764016635	-6.791789308	-7.314689382	-6.708008343	-6.909230336	-8.518881565	-7.529645931	-7.318692953	-6.76889624	-7.062679775	-7.239151633	-8.583605577	-7.561248863	-6.820039568	-5.234246828	-6.411678956	-7.476410477	-5.620962435	-5.826155911	-5.786303727	-5.498518028	-6.473739673	-6.459600575	-5.931074355	-7.734952886	-6.0999965	-5.58537066	-7.837920863	-8.128046525	-6.37341497	-7.692091449	-7.939197783	-7.749327374	-7.448209962	-6.522416141	-7.016619069	-6.352965344	-8.266303972	-6.910963946	-3.393791466	-4.529877209	-6.403655486	-5.976032954
Deoxycarnitine	-0.834233587	-3.671561493	-2.80619347	-1.787040082	0.382369354	-0.285085802	-1.95906256	-0.884498203	0.872585087	-0.916392301	-0.540250905	-0.204676505	-1.080075206	-2.979873851	-0.465501412	-1.513855948	-1.617753589	0.156172249	0.180417008	-0.899427726	-1.258026948	-1.148191496	-3.803679622	-2.592566151	-0.211469762	-0.517364967	-1.564856974	-2.373674819	0.547163257	-0.752432094	-1.665661176	-1.591115881	-4.309893403	-2.833726939	-3.705115237	-3.797796546	-4.144300572	-2.571976524	-3.584927392	-3.051323838	-4.552528836	-4.786644002	-5.571370138	-3.471906055	-3.355585756	-3.130450853	-2.724250869	-3.429595721	-5.485247537	-3.467394753	-3.431064579	-3.738531217	-4.631342668	-6.610308883	-4.587976895	-3.896753262	-4.743044616	-3.564281205	-3.520103381	-4.198230161	-4.712776159	-4.371553765	-3.937403016	-3.786740889	-4.335655358	-4.623362349	-3.056051777	-3.491376067	-2.881392934	-1.926873574	-4.644723819	-3.749953908	-4.383146453	-4.427768894	-1.228547232	-3.44649194	-4.618162724	-4.672783318	-4.703526056	-4.215344125	-4.778177565	-4.043965247	-3.683384771	-3.516626385	-4.940302758	-3.504075507	-5.168438568	-4.805883958	-2.512398263	-2.233952176	-1.598386625	0.869057236
Erythrono-1,4-lactone	-5.467512984	-5.796180098	-4.847776752	-5.989546969	-4.855561097	-3.435755634	-5.625358635	-4.437044924	-5.94659515	-6.545330241	-4.333264236	-4.913529692	-4.943547844	-5.822438751	-6.435076753	-5.063486035	-5.844544949	-5.739025932	-5.215548924	-3.874670054	-4.071043551	-4.158864708	-5.814228013	-6.116307452	-4.116562735	-5.563866416	-5.147932987	-5.038767486	-4.934925485	-8.355061789	-5.241050803	-4.932566864	-7.069546334	-5.431649038	-8.74653743	-5.945293242	-6.806336376	-5.800480536	-7.209897125	-8.545225505	-7.982937921	-7.488277906	-5.782263091	-9.289592577	-8.128261553	-6.49936087	-7.219697222	-6.242614422	-5.976231495	-8.182960421	-7.239896453	-6.484616869	-7.338665341	-6.363422569	-6.721945918	-7.687850694	-8.409326344	-7.645071872	-5.831459998	-6.85327236	-7.397956416	-8.088164453	-6.952655396	-5.603205097	-5.620523936	-8.966502796	-7.840361894	-8.039766227	-6.522686025	-5.354092214	-7.112970569	-6.264756084	-8.486617754	-6.774741983	-8.646446421	-5.070140668	-8.037012393	-8.987003239	-6.577170069	-6.386890467	-7.516077079	-7.496786083	-8.793351767	-6.815564192	-7.270977361	-5.919443538	-7.589148113	-7.361001948	-4.560077932	-5.332919138	-6.015247349	-6.018656926
Heptanoyl carnitine	-6.6177993	-6.288701451	-7.043676944	-2.814300834	-6.997231986	-5.096585153	-7.75716556	-5.382986006	-5.419469885	-7.242704495	-7.914179037	-5.904151385	-6.239780692	-5.832059185	-7.136192875	-5.070868546	-6.931260777	-5.90246864	-5.786288827	-5.307242802	-5.749119746	-7.024633195	-6.61556758	-6.313381001	-5.210054137	-5.60395316	-6.56613002	-7.003345432	-5.655987408	-6.677616724	-6.251779271	-6.923714607	-8.1810824	-5.592263325	-5.464516026	-5.420226171	-6.619877333	-5.62210426	-6.455359796	-5.093376074	-7.489577122	-5.118959315	-7.025237957	-5.287174401	-6.136073677	-5.654743818	-7.579711175	-4.741103401	-5.487087186	-4.965802334	-5.448772602	-6.419074255	-6.832420027	-7.029357683	-6.916626855	-5.401597317	-6.707383882	-6.351401195	-5.529317198	-6.456255007	-9.098411718	-7.804638633	-6.361935909	-5.808918201	-8.594150447	-6.458198007	-4.766567326	-4.376419769	-5.944024925	-5.427531149	-5.661969794	-4.296485495	-5.979794438	-5.49475897	-5.632767752	-5.213143412	-6.820602129	-8.390959486	-5.348322574	-8.223265171	-7.268196067	-5.962197105	-6.434462796	-6.406958025	-7.631214177	-5.011798856	-6.607693866	-7.280506004	-4.574566214	-3.881351242	-6.314009257	-6.470940007
Isovalerylcarnitine	-8.06189421	-9.289970183	-3.537898428	-5.041671771	-3.035477741	-7.609191766	-5.812441299	-4.657290729	-6.037554502	-4.575031207	-4.931858719	-4.399415735	-3.417316634	-4.247386121	-3.778788396	-2.277872125	-6.07428107	-4.84593854	-4.891785944	-4.693141838	-3.670205363	-5.832707227	-4.78970233	-5.035819143	-5.892498152	-4.281863105	-4.214080036	-3.860529322	-2.954660106	-4.481898267	-2.805525202	-3.646502583	-6.344615281	-4.819126841	-4.002565105	-5.277890302	-4.10759127	-5.532622641	-4.835102742	-3.104421208	-4.668809267	-3.732906713	-3.975763181	-3.774207408	-4.664631892	-5.604188411	-5.038433046	-5.031946645	-4.605468099	-2.960896515	-4.526372385	-3.702519256	-5.349129498	-3.805293034	-3.838093877	-4.554065759	-4.627246447	-6.244642361	-3.475674324	-4.763007985	-5.910322768	-4.008835654	-4.443628327	-4.896975106	-3.1917994	-4.529244915	-4.005938681	-3.796143772	-2.264662322	-4.757376849	-5.191248805	-4.960064192	-5.361392327	-5.575486049	-2.683635355	-4.887082755	-4.780610344	-5.575435808	-5.25127236	-5.243937041	-6.501572438	-3.990767801	-3.809590727	-5.056589893	-5.58480264	-5.400266435	-3.647014581	-5.992984771	-2.717061462	-3.036989188	-7.938436834	-7.717964139
2-Methylglutarate	-3.437854445	-2.694590013	-0.850646186	-1.169853551	-3.309095359	-2.782946011	-4.269701743	-3.325888038	-3.107744666	-3.285499009	-3.702455977	-4.0668987	-3.696884455	-3.000991287	-4.663931109	-3.576980791	-3.638148056	-4.022144055	-3.911630188	-3.661300441	-4.382432203	-3.09491832	-3.473758924	-2.702984117	-2.91711839	-3.040351963	-4.248492177	-3.77752831	-3.636582528	-3.736062862	-4.168070309	-3.132362825	-3.304908185	-2.489071665	-3.505803606	-2.540907874	-3.566172189	-3.333541089	-2.771430121	-3.020726374	-3.119852211	-4.011444178	-3.009874991	-2.517680061	-3.240990821	-2.665647258	-2.215114918	-1.973880842	-2.819541986	-1.541473063	-2.653936598	-3.040210021	-2.928619043	-2.406163317	-4.624751916	-2.951036505	-3.244426517	-2.394136963	-1.904391904	-3.279021766	-3.416335769	-4.241949712	-2.65335509	-2.513324236	-4.353733279	-3.500103073	-1.558996532	-1.46800712	-2.823678166	-1.697008439	-2.081220261	-1.586114457	-2.990301445	-2.701387153	-3.002648028	-3.123198282	-3.265578852	-2.580979968	-2.655395949	-3.657103481	-3.28302336	-3.13806454	-3.171049728	-2.660917194	-2.146421649	-2.208282514	-4.003519694	-2.568804181	-1.991457987	-2.132532873	-4.366411045	-3.307195556
Myristate	-7.011454624	-8.187590632	-4.333510915	-4.318331294	-6.314388535	-7.330470087	-9.543327688	-8.702093371	-7.124789853	-6.902992776	-7.435989287	-7.133430305	-7.499183446	-7.195960179	-7.870293804	-6.653221139	-8.832325536	-8.121664329	-8.187222478	-8.298318435	-6.50304664	-7.954240953	-9.101755443	-9.152429581	-6.116866973	-5.843752939	-8.153286041	-8.109261282	-7.432863483	-7.978902448	-7.22995863	-7.866578948	-10.15675897	-7.213416769	-9.293581978	-9.889665352	-8.678114064	-7.956863251	-9.349907492	-8.214211229	-8.259497476	-8.612809947	-8.350214025	-6.122937639	-8.873877943	-9.481828007	-9.492457015	-8.97830054	-7.539964558	-5.375112867	-9.608725124	-9.1884827	-9.091440323	-8.74080467	-9.285396874	-11.12684785	-10.26693949	-8.449522862	-8.392188775	-9.244692802	-10.81013963	-10.98552954	-8.833377691	-10.01740078	-8.486392137	-9.536990119	-5.125612318	-5.307461382	-6.665546141	-5.99857121	-5.781769908	-5.644039298	-8.825322873	-9.96738174	-7.82111814	-8.088215004	-9.273625241	-8.604996858	-9.406045361	-9.466282099	-8.456179818	-9.013600677	-8.297469867	-8.30869538	-9.045853331	-9.620208513	-8.669359549	-9.249056861	-5.0831371	-4.252041964	-10.09850874	-9.078910135
Phenylalanine-Glutamate	-6.705071946	-6.490372707	-5.449108947	-5.195326011	-5.99501832	-5.998626523	-8.341214037	-6.114705945	-7.525958319	-5.977894409	-6.198858006	-6.232065787	-8.364558725	-7.150416672	-8.375552386	-6.588510634	-9.135755458	-6.082640277	-7.929892421	-7.228779872	-6.40776135	-6.403001039	-8.68273457	-6.554332321	-6.133597016	-6.49628802	-7.257084871	-6.631430227	-7.482595918	-7.899703576	-6.149399078	-7.286333235	-11.15474575	-7.688317157	-7.119470184	-6.122897139	-7.512872611	-6.875066387	-7.971265773	-6.825129982	-7.860056644	-8.12523888	-5.209840096	-7.13908039	-6.443744318	-5.527631696	-8.395179702	-4.459831423	-5.507907141	-6.396928592	-6.186339184	-7.020923649	-7.033734651	-6.223050148	-8.730296723	-5.746520404	-7.680109301	-6.586132185	-6.432001474	-7.437950241	-9.274109613	-6.934094815	-7.153240996	-7.289746506	-8.488331444	-7.897238092	-7.065420196	-6.792043101	-7.09204418	-7.343824987	-7.011415229	-6.291151332	-6.846252346	-7.595776809	-6.357055525	-7.333269738	-8.172471316	-8.7969901	-5.175950639	-6.445237442	-8.9488827	-7.073083723	-7.10716074	-6.853879119	-8.625956037	-5.023534592	-8.044759757	-5.823833765	-5.283449418	-5.353316914	-6.575385021	-6.293342825

metabolite_name	Kegg ID	Retention Time(min)	Precursor Ion	Product Ions
2-Aminoheptanoic acid		6.3	146.1176	100.1
Deoxycarnitine		6.5	146.1176	60.1/87.1
Heptanoyl carnitine		7	260.2	201.2/85
Nicotinamide adenine dinucleotide	C00003	6.9	664.1164	428/136
Adenosine 5-monophosphate	C00020	6.8	348.0704	136/97
S-Adenosyl-L-homocysteine	C00021	6.7	385.1289	136.1/134
Glutamic acid	C00025	6.2	148.0604	84/56
Glycine	C00037	6.2	76.0393	30.5
Lysine	C00047	6.3	147.1128	84.2/130.2
Glutathione, Reduced	C00051	6.1	308.0911	76/179
Cytidine 5 -Monophosphate	C00055	6.8	324.0591	112/83.6
Arginine	C00062	6.3	175.119	60.2/70.1
Glutamine	C00064	6.9	147.0764	130.1/84.1
Serine	C00065	6.4	106.0499	88.1/60.1
Tryptophan	C00078	5.8	205.1	188.1/146.1
Phenylalanine	C00079	5.6	166.0963	103.1/120.1
Tyrosine	C00082	6.1	182.0812	91/136.1
Malonyl-CoA	C00083	5.8	854.1229	347/303/428
Urea	C00086	5.6	61.0396	44
Succinyl-CoA	C00091	5.9	868	428/361/259
Cysteine	C00097	6.8	122.027	59/76
Uridine 5'-monophosphate	C00105	6.8	325.0431	113/97
Uracil	C00106	6.6	113	72/68.1
Choline	C00114	5.7	105.0546	45/60.2
Putrescine	C00134	7.1	89.1073	72.1/30
Myo-Inositol	C00137	6.6	181.07	139.9/105.2
Guanosine monophosphate	C00144	7	364.0653	152/135
Adenine	C00147	6.8	136.6	119
Proline	C00148	6.2	116.0706	70.1/43
Asparagine	C00152	6.6	133.0608	87.1/74
Nicotinamide	C00153	5.3	123.0553	80.1/78
Homocysteine	C00155	6.1	136.05	90/56.1
Valine	C00183	5.9	118.0863	55/72.2
Threonine	C00188	6.3	120.0655	74.1/56.1
Alanine	C00213	6.3	90.055	44.1
4-Methyl-2-oxopentanoate	C00233	6.7	131.0703	43.06/71
Deoxycytidine monophosphate	C00239	6.3	308.0642	112
Hypoxanthine	C00262	5.7	137	119/55.1
Homoserine	C00263	6.3	120.0655	74.1/56.1
Adenosine diphosphate ribose	C00301	7.2	560.1	136.1/348.1
Spermidine	C00315	7.5	146.1652	112.1/72.1
Carnitine	C00318	5.6	162.1125	60.1/103
Citrulline	C00327	6.5	176.103	159/70.1
Kynurenine	C00328	5.7	209.0921	192/146
Glucosamine	C00329	6.5	180.0866	162/72.1
4-Aminobutyrate	C00334	5.6	104.0706	44.1/69
3-Hydroxy-3-methylglutaryl-CoA	C00356	6.7	912.2	428/136/405.2
Deoxyguanosine monophosphate	C00362	6.8	348.0704	135
Thiamine	C00378	6.8	266.1196	122
Cytosine	C00380	6	112.1	95.1
Guanosine	C00387	6.1	284.0989	135/152
Histamine	C00388	6.7	112.0869	95.1/41.1
Isoleucine	C00407	5.6	132.1019	43.9/86.1
DL-Pipecolic acid	C00408	6.3	130.0863	84
N-Acetylornithine	C00437	6.2	175.1077	70.1/115
N-carbamoyl-L-aspartate	C00438	6.2	177.0506	74
Nicotinamide ribonucleotide	C00455	6.6	335	123
Cystine	C00491	6.9	241.03	74.1/152
4-Aminobutyraldehyde	C00555	6.4	88.0757	70.1
Adenosine 3,5-cyclic monophosphate	C00575	6.4	330.06	136/119
Phospho Choline	C00588	6.5	185.0811	99/87.1
N-acetyl-glutamine	C00624	6.2	222.0972	171/130
Histidine	C00768	6.9	156.0768	83/110.1
Creatinine	C00791	5.8	114.0662	90/44/86.2
4 Hydroxybutyric acid	C00989	5.7	105.0546	45/60.1
3-Phosphoserine	C01005	6.5	186.0162	88
N, N Dimethyl Glycine	C01026	5.4	104.0706	58.1/44
Erythrono-1,4-lactone	C01040	5.9	119.11	91.1/60
2-Methylglutamate	C01046	5.9	162.0761	116.1
N-acetylalanine	C01073	5.9	132.0655	90/44.1
1-Methyl-Histidine	C01152	6.2	170.0924	124
Inositol 1-phosphate	C01177	6.7	261.037	234.9/158
Kynurenic acid	C01717	5.5	190.0499	144.1/89
5-Oxoproline	C01879	6.4	130.0499	84
Acetylcholine	C01996	5.4	146.1176	43.02
Glycine-Glycine	C02037	5.7	133.0608	30/76.04/42.03
Gly-Leu	C02155	6.2	189.1234	171/130
Cystathionine	C02291	6.7	223.0747	134.1/88.1
2-Hydroxypyridine	C02502	5.3	96.0444	51.1/78.1
Acetylcarnitine	C02571	5.3	204.123	85
N-Acetyl Methionine	C02712	5.7	192	104.1/56.1
Methyl alanine	C02721	5.4	104.0706	58.1/45
N-Acetyl Lysine	C02727	6.1	189.1234	129/84.1
3-Hydroxykynurenine	C02794	6.5	225.087	162.1
Octanoylcarnitine	C02838	4.3	288.2	85/57.1
Butyrylcarnitine	C02862	4.3	232.1543	173/85
1-Methylnicotinamide	C02918	5.7	138.08	95.1/79.1
4-Acetamidobutanoate	C02946	5.2	146.08	86.1
Argininosuccinate	C03406	5.5	291.1299	70
S-ribosyl-L-homocysteine	C03539	6.6	268.0849	88
Dimethylarginine	C03626	6.2	203.1503	70.1/46.1
Glutamyl alanine	C03738	6.4	219.1	84.1/44.1
5-Aminoimidazole-4-carboxamide ribotide	C04677	6.8	339.07	110
Ergothioneine	C05570	6.3	230.0958	186.1059/127.03525/60.1573
5-Hydroxyindoleacetate	C05635	5.7	192.0655	146/91
D-Glucosamine 1-phosphate	C06156	3.8	260.053	162.1
Myristate	C06424	7	229	38.9
Myristoleic acid	C08322	3.5	227.2006	43.1/41.2
Aspartame	C11045	6.4	295.1288	180.1/120.1
N-Acetylaspartylglutamate	C12270	5.6	305.0979	148.2/84.1
Purine	C15587	5.6	121.0509	94
Nonadecanoic acid	C16535	3.3	297.2788	281.4
1-Methyl tryptophan	C16831	5.4	219.1128	202.1/132.1
7-methylguanosine	C20674	6.3	299.1224	166
2-Methylglutarate		6.3	147.0652	59/55
Isovalerylcarnitine		6.6	246.2	187.1/85
2-Aminooctanoic acid		5	160.1332	55.3
1-Stearoyl-sn-glycero-3-phosphocholine		4.4	524.3711	184.1/104.1
Aspartate-phenyalanine		5.5	281.1132	166.1/120.1/88
Phenylalanine-Glutamate		6.5	295.12889	120/136