metabolite_name	DUKE-17570	DUKE-17571	DUKE-17572	DUKE-17573	DUKE-17574	DUKE-17575	DUKE-17576	DUKE-17577	DUKE-17578	DUKE-17579	DUKE-17580	DUKE-17581	DUKE-17582	DUKE-17583	DUKE-17584	DUKE-17585	DUKE-17586	DUKE-17587	DUKE-17588	DUKE-17589	DUKE-17590	DUKE-17591	DUKE-17592	DUKE-17593	DUKE-17594	DUKE-17595	DUKE-17596	DUKE-17597	DUKE-17598	DUKE-17599	DUKE-17600	DUKE-17601	DUKE-17602	DUKE-17603	DUKE-17604	DUKE-17605
putrescine	0.912802877	0.932709607	0.668591246	1.233466889	2.080217393	0.605582968	1.026617134	0.961766385	1.711842742	1.191257169	1.256183038	0.813638133	0.748492728	0.98907299	0.874502587	1.12035637	1.325807093	0.777679947	0.499251278	0.982993242	1.435243442	1.062729636	1.561116454	0.967350868	2.032031287	1.064166519	1.340231829	1.145142097	0.800654066	1.347895497	0.657877367	1.01092701	0.862304656	0.855195359	2.146291604	0.444762102
spermidine	0.830482623	1.509865696	1.050293155	2.659529933	0.950414762	0.864481092	0.853555728	1.681547442	0.812779173	0.412610631	1.1852962	0.442038858	0.397127076	1.103956462	0.713506837	1.209738115	1.086578608	0.992512797	0.677872832	0.793473782	1.392573096	0.974729441	0.975097568	2.729538091	1.002596114	0.505559398	1.428336074	0.844344785	1.040077138	1.054104421	1.616350365	0.742926436	1.129813906	1.089248731	1.077155673	0.997403886
5,6-dihydrothymine	0.902491264	0.534085506	1.89194878	1.248772271	0.933300123	0.347825438	0.347825438	1.249077135	1.292989342	1.659176722	0.951477848	0.49937827	0.347825438	1.654057588	0.347825438	1.434226068	0.988589624	0.575653497	0.347825438	1.742215407	1.011410376	1.558513609	1.372766622	0.347825438	1.278359075	0.942891039	0.471535682	0.793415828	1.678149043	0.619986028	0.759562214	0.906221642	0.347825438	1.071859876	1.419693747	0.829999604
guanine	0.620098457	2.314479697	1.511177311	1.208368398	0.194639993	1.23763911	1.273942932	0.411822622	0.201985609	1.002350767	0.789713079	0.434038824	0.211488884	0.701137679	1.180318163	0.966453205	1.123904505	2.604435054	3.068109408	2.426930305	0.866225024	0.27462824	1.10512826	1.074547395	0.696491852	0.730322451	1.28081741	1.252946526	0.390408747	1.457982478	0.997649233	0.543819194	1.158958977	0.414358006	0.742770427	2.1876738
N6,N6,N6-trimethyllysine	1.20693207	0.8638485	0.757449251	1.016661788	1.327850798	0.795898421	0.824442955	1.230733044	1.015196335	0.994684761	1.227776456	0.788151308	0.557918087	1.252571241	0.746826907	1.33521518	1.241849154	0.810102604	0.686646154	0.914086339	1.547814532	0.738267917	1.098096813	0.945605643	1.080342897	1.005315239	1.325730448	0.981180652	1.034442822	0.706989923	1.223101395	0.909543066	1.100464731	0.753762	1.372192578	0.524520318
N-acetylputrescine	2.417062867	1.150416789	0.617114718	0.747717717	1.517647675	0.695276197	0.6511393	0.946187127	1.370830689	0.885899993	1.859246436	0.819696772	0.613264161	1.073843416	0.811555069	1.167354705	1.132558028	0.734426355	0.613465331	1.082769964	1.515320058	0.741263289	1.477762257	0.751596607	1.346134993	0.727806174	1.259347304	0.858927681	1	1.19229407	0.689558447	1.023728098	1.155375196	0.80111975	1.560668223	0.613264161
adenosine 5'-diphosphate (ADP)	0.953124875	0.765462573	1.284904373	1.341438653	0.984318789	0.996423598	0.912687622	0.558381295	0.855354757	1.661659602	0.878758155	1.095572589	0.150969905	1.003920453	1.263818531	0.711953855	1.174507236	1.321361404	1.003576402	0.89504703	0.945746521	1.559733339	0.525233889	0.81120237	1.054316683	0.698313498	1.312818328	0.588855533	0.898346894	1.139721868	1.150385471	1.234723221	1.014332439	1.475201014	1.310332864	0.989705097
5-methylthioadenosine (MTA)	0.311389518	1.577990899	0.352382183	0.206660279	0.907256792	0.828106144	1.108302169	0.335789207	0.234528922	2.277774897	0.551542202	1.35383288	0.206660279	0.798358657	1.584769589	1.412990392	1.484078169	1.228982816	0.808319915	1.082711851	1.746121856	0.739177953	1.942363022	0.278917578	0.206660279	1.992917985	1.07763272	1.615269916	0.323365647	2.759176822	0.396148553	1.807969945	1.139526151	0.33685762	0.89874623	0.92236728
adenosine 5'-diphosphoribose (ADP-ribose)	0.789423901	1.29571495	0.951430368	0.650096021	1.192982683	0.637862883	0.576245704	0.987891473	0.361595277	1.271244614	0.515752557	1.53131566	0.627162378	1.428677295	1.465179006	1.024081277	1.636263759	0.816938437	0.766397625	1.070271384	1.539130585	0.971596442	1.433865504	0.441444151	1.650823127	0.99302867	1.191993414	1.348630973	0.740063209	1.00697133	0.487821554	1.310890264	1.648169763	0.661758641	1.166188401	0.597022141
AICA ribonucleotide	0.369484559	1.281508147	0.686091385	0.997384823	0.490637336	0.624715991	0.717595713	0.50818883	1.145943499	1.785215495	1.08773906	2.655452647	0.279250172	0.809147676	1.082528289	1.001079049	0.789984071	0.9758759	0.853685199	1.041276091	1.180274114	1.268969239	1.581014683	1.186731177	1.723376363	1.066992327	0.754831733	1.715180287	1.403484997	2.032068332	0.728475509	1.891856917	0.480803298	0.969703189	0.998920951	0.993183776
arginine	1.03500167	0.948427099	1.036612361	1.281617831	1.080639154	1.093653	0.891465653	0.982640134	0.853566401	0.657700576	0.959290516	0.961372415	0.827270793	1.053620064	0.888095259	1.017359866	1.207436233	1.14849452	0.929248438	0.903292296	1.159360386	1.089194349	0.926311088	1.170435941	0.622730278	0.872254275	0.975505774	1.055223966	0.981487925	0.860159554	1.080272583	1.074869587	1.106688306	1.120929649	1.028693675	0.802103476
argininosuccinate	2.515125108	0.843362308	0.814806947	3.090190832	3.299735546	0.636862917	0.795282383	1.852082978	1.507570894	0.529564659	1.257698244	0.779977227	1.010429587	2.084182618	0.643045718	2.112807994	3.641645581	0.464981855	0.548325499	1.183747886	1.661708418	0.587133018	0.989570413	0.670904227	2.061557378	0.801595488	1.574435596	0.907207867	1.55817298	0.305422413	1.543820049	0.922649161	3.151877019	0.666005171	2.302525347	0.395512562
aspartate	1.920443182	0.487618006	0.406784225	1.222684436	1.290083448	0.786859103	0.331562003	1.474679675	1.565400776	0.385507984	1.626281658	0.632834967	0.521353771	1.451003612	0.264177832	1.562604723	1.906175236	0.718879181	0.639857997	0.901949881	1.358666539	1.003618028	1.301735213	1.092341608	1.518079103	0.509399272	1.238540901	0.323992445	2.067650296	0.355137219	0.984689615	0.500854994	2.016475317	0.996381972	1.309143125	0.573806676
beta-alanine	0.708281048	0.996740861	1.57746089	1.182832576	0.863975553	0.861541822	1.398452452	0.729730346	1.053629248	1.003259139	0.816426366	0.88720421	0.620451614	1.240475591	0.845664641	1.943643576	1.19041833	1.091506269	0.900450437	0.926859624	1.183277931	1.497206485	0.918181711	0.982134379	1.10161163	0.902524481	1.223152122	0.910774131	1.556276973	0.985409396	1.189754146	1.420323568	1.27883035	0.970313016	1.17807526	0.696101852
carnosine	1.037604495	1.076481206	1.098230469	1.178976103	0.936954693	1.035822983	1.050582208	0.961111658	0.993178675	0.968011287	1.0068108	1.099825495	0.682343646	1.030020219	0.945731489	1.010339537	1.01154307	0.999645245	1.000354755	0.895747326	1.08330848	0.995011224	1.054208149	1.126582523	0.937332844	0.892190229	1.031342271	0.988580018	0.974756822	0.945433429	0.94105791	1.000842036	0.989185084	1.029974046	0.971969895	0.954302054
choline phosphate	0.928671794	0.668548741	0.911784775	1.250414804	0.816145635	0.948279496	0.98208151	1.312261314	1.139002602	1.148937328	1.268735528	0.729755914	1.060293958	0.880289022	1.088878323	1.280251901	0.726357155	1.107041282	0.80017435	0.99894452	0.840430939	1.313671213	0.777440205	1.273522563	0.800514837	1.086462548	1.002231303	0.740311812	1.137849788	0.887358093	0.948675956	1.21861356	1.129604242	1.013730055	0.912263645	1.00105548
creatinine	0.887414924	1.147195973	1.019975916	1.048737047	0.862687583	1.019278738	0.947981102	1.010923527	0.916961691	1.055442902	1.008548998	0.931699581	0.680461532	0.981184357	0.894083535	1.07807966	0.996576589	1.034127115	0.919545318	0.839639167	0.974693455	1.140250052	1.158256962	1.084563474	1.052897355	0.785985791	1.02908698	0.892902624	0.987112707	1.119425989	1.002808232	1.047472759	0.997191768	0.914507853	0.965200972	1.060820152
cysteinylglycine	1.131363951	0.98129813	0.624439551	1.150705033	1.127331289	0.705433792	0.664182163	1.070364579	1.360498145	0.950819095	1.732526463	1.07459632	0.570432367	1.363456726	0.563167003	1.081257363	1.178710564	0.748588413	0.606809805	0.964260829	1.101437477	0.644880492	0.994834816	1.036574019	1.144342946	0.779362018	1.08979501	0.941901578	0.948560798	0.766781113	1.074862006	0.679270921	1.005165184	1.076738139	1.098422007	0.730733674
2'-deoxycytidine 5'-monophosphate	1.262800378	0.896809035	0.364451448	0.364451448	1.367772297	0.924260904	0.364451448	1.802857441	2.279642082	0.364451448	2.071972109	0.364451448	0.636091832	0.84380498	0.364451448	1.601663662	1.104975516	0.364451448	0.58539762	0.465976592	1.075739096	0.364451448	0.374244894	0.923987465	0.649555121	0.364451448	1.334801271	0.364451448	1.429353712	0.364451448	1.864978539	0.463637966	0.364451448	0.455578702	1.782558169	0.364451448
dihydroxyacetone phosphate (DHAP)	0.989070951	1.420223328	1.582988164	1.519205126	1.16342758	0.901131403	0.853425276	1.17612694	0.969811469	0.596673911	1.134196513	0.255718103	0.353652674	0.581496615	0.64209908	1.308070421	1.336358486	1.199860569	0.770324411	1.111090222	1.504776846	1.190564694	1.058095605	1.010929049	0.332146145	0.499756645	1.337449097	0.567773967	1.06989435	0.849373011	0.939286331	0.680982078	1.403406377	1.06842973	0.882939094	0.919890211
homocysteine	0.492506668	0.938088007	1.0377838	1.13006317	0.781096027	1.290261456	1.27315809	0.689003569	0.620537706	1.42102478	0.570443453	1.774271595	0.320244591	0.820665296	1.369483032	0.823806031	0.785064384	1.523907576	1.194168162	0.797477178	0.820051551	1.14008533	0.513737725	1.232796743	0.600321489	1.495124048	1.020526614	1.597253374	0.61023242	1.518565876	0.63359979	1.491724395	0.979473386	1.576845649	1.021003086	0.851095182
gamma-glutamylglutamate	2.237436057	1.169468601	0.446889311	0.260350287	2.317757357	0.423229684	0.897515955	1.205845026	1.767250682	0.586838644	1.548506163	0.994380298	0.246762034	2.141437689	0.534826561	1	2.092312189	0.372400857	0.246762034	0.963981048	2.208223716	0.370612881	1.405958906	0.537608399	2.679526576	0.246762034	1.876886632	0.59019049	1.512935423	0.393485092	1.902297696	0.45550095	1.420501437	0.561704667	1.470508136	0.246762034
glycine	0.993659492	0.954647926	0.963994352	1.143326821	1.261858548	0.88146808	0.84873139	1.071443392	1.170941657	0.736680511	1.128369343	0.877326295	0.563631562	1.004361931	0.733610931	1.14792406	1.265444946	0.960614831	0.753968904	1.106675827	1.232950157	1.008048814	1.280653438	1.079096995	1.393840579	0.814317434	1.253704203	0.849934599	1.040545386	0.950154226	1.088521935	0.901706006	0.995638069	0.891920316	1.129397278	0.696167836
guanidinoacetate	1.06385742	1.271202951	0.658394978	0.861995204	1.230326472	0.550055105	0.567267853	1.855065483	1.288424056	0.482536672	1.0550844	0.648028476	0.591727408	1.147811938	0.580868	1.560905645	1.131415195	0.511133532	0.521684925	1.068626043	1.05245333	0.808756956	1.101066259	0.94754667	1.431214497	0.599959618	1.19175246	0.536877535	1.281544991	0.50382557	1.174641433	0.822058262	1.209968142	0.497175019	1.216175526	0.54342657
histamine	1.135051805	0.96630852	1.512312294	0.827047749	1.287138136	1.070000657	0.710665002	1.196140831	2.016486526	0.631628791	1.2314475	0.96856683	0.809984315	1.091390764	0.486353105	1.454462102	0.858603332	1.209297329	0.789178275	0.862872036	1.294371868	1.542521966	0.90308454	0.892737985	0.894997133	0.629572918	1.094573162	0.719701712	1.129722247	0.928592006	1.22420852	0.72579171	1.131418946	1.03143317	1.408092537	0.609436762
hypotaurine	1.659980931	0.496832052	1.17862919	0.744826178	0.978673229	1.570416893	0.868053837	0.543016869	1.150778279	0.901932253	1.65984706	0.986340562	0.732960464	1.179664911	0.66585514	1.013659438	1.087455398	1.541766054	1.223454896	1.26019283	1.361988347	1.237960385	0.97210019	0.612841466	0.963956021	0.925815776	1.227516781	1.163030157	0.899524596	0.970405313	0.883896539	0.797975822	1.080476246	1.173141671	1.046564306	0.859243987
isoleucine	1.02656379	0.94985165	1.109972529	1.328347067	0.996775823	1.054866285	0.839676037	1.002552229	1.01804784	0.803756825	0.968141502	0.868353165	0.648710628	0.96375566	0.799777367	0.972605294	1.020988238	1.176440095	1.011524584	0.828191198	1.026465695	1.195921855	0.963595531	1.109397548	1.045633027	0.751818439	1.153650292	0.893269183	1.033759076	0.983232645	1.071781479	0.997447771	1.058683336	1.135305439	0.985993337	0.902874431
citrulline	1.364382122	2.337262744	0.572766007	0.618102946	2.926190935	0.521668699	0.831584165	1.049513127	3.21081477	0.916766076	2.890644766	0.921181333	0.840536152	0.902665028	0.921302361	1.268235139	2.003261618	0.606073372	0.465093296	1.906803672	1.907109007	0.623262208	2.105534674	0.698483066	6.647186844	0.73119768	3.607704118	0.383238888	1.088468855	1.067555105	1.084982671	1.188294437	0.950486873	0.946970505	2.482305747	0.788131497
saccharopine	0.478621127	0.531210342	1.135678745	1.322543991	1.11863071	0.314722652	1.043256367	1.443069691	0.929504544	2.338845047	1.058954447	2.020431801	0.351817421	0.438008103	1.606795404	1.307055044	1.265900685	0.804144258	0.247538961	0.715809805	1.212337913	0.835199547	0.821002402	0.956743633	0.913548907	2.300635043	1.572244063	3.062535082	1.079911936	1.551715836	0.772541078	0.914530499	1.476017115	0.344275525	0.8552374	0.85517946
leucine	1.035055346	0.897233327	1.110769721	1.410303943	1.019839458	1.073561485	0.784122968	1.000059622	1.007561947	0.818691265	1.02344285	0.837146435	0.643154055	0.959404355	0.78804343	0.985347679	1.022778508	1.146871515	0.968640616	0.830470739	1.079148216	1.16223547	0.963585714	1.170294042	1.059339606	0.722950054	1.101670875	0.860246239	0.999940378	0.999101503	1.074359922	0.942609959	1.095241229	1.128476763	0.951540632	0.926798682
lysine	1.097657579	0.840604327	0.971445753	1.127710713	1.197244736	0.987330013	0.855648704	1.015472406	0.675557792	0.794340892	1.041617389	0.892511468	0.738156139	1.021925914	0.78785825	1.03428086	1.077063413	1.021652221	0.891948914	0.879508732	1.092387948	1.084293847	0.982517566	1.012669987	1.243985216	0.839591901	1.095997216	0.923458576	0.960700115	0.831625058	1.115530161	0.97113354	1.083795232	1.019151435	1.079977323	0.735848895
methionine	1.044463485	0.809698666	1.277668427	1.718779248	0.995222365	1.200581752	0.820641197	0.899018164	1.012108595	0.755924269	0.917097283	0.826393086	0.526968893	0.883081331	0.747635598	0.986648606	1.033412217	1.255818362	1.108826729	0.774064652	1.109870251	1.383319966	0.909964174	1.244682263	1.052482778	0.665419363	1.134315467	0.815640999	0.964988838	1.079515228	1.004777635	0.920280087	1.091028829	1.281950334	1.005487516	0.886245269
nicotinamide	0.946471495	0.843345334	1.325614042	1.586402857	0.605094101	1.183365049	1.388305393	0.873566681	0.73648658	1.036231765	0.774131561	1.155498863	0.97593176	0.660680572	1.128423768	1.035260074	0.762182886	1.499497206	1.398061797	0.816737223	0.795093904	1.485683224	0.937947383	1.458074192	0.731948446	1.174557024	0.877098622	0.923729517	0.795636232	1.40613899	0.652198814	1.154846498	1.02406824	1.501017439	0.801380309	1.399167282
ornithine	1.049677605	1.103634573	0.535092344	0.447473961	1.77497305	0.740566232	0.518184897	1.377336241	1.318247736	1.733901879	1.315723862	0.605767994	0.466125911	1.51535623	0.680815481	1.673262558	1.44522939	0.476029941	0.621859049	0.950322395	1.497363806	0.792058085	1.257188547	0.504898331	1.725333272	0.831000108	1.756836404	0.869243714	1.188305187	0.898551685	1.407055166	0.83734249	1.305564655	0.632528603	1.785985041	0.406211469
glutathione, oxidized (GSSG)	0.985144946	0.97015063	0.633847936	1.005110626	1.1543526	0.773754745	0.94041187	0.832455916	0.92798305	1.224381411	0.962255058	1.363775049	0.622054971	1.443665901	0.886525419	1.444082117	1.18367847	0.826721427	0.746582604	1.074900725	1.221643923	0.925931626	1.15574116	1.05044816	1.249083729	0.982327853	1.459200158	0.994889374	1.083330626	0.751493258	1.223777155	1.144092597	1.314402612	0.911040437	1.446623189	0.797771579
phenylalanine	1.079577496	0.845336626	1.025747782	1.284796646	1.017947918	1.031740269	0.819868328	0.979402191	1.052508596	0.848790617	1.002332609	0.797204426	0.650505411	0.938592301	0.790245402	0.997667391	0.985816264	1.08950338	0.994552282	0.83865901	1.013000098	1.12869983	0.937342929	1.06765798	1.066888275	0.738303942	1.089578317	0.797884139	1.01210941	0.961864848	1.068860131	0.926507003	1.043412258	1.08897804	1.012568381	0.87373993
proline	1.084990681	0.779625208	1.066096558	1.258819011	1.187195995	0.921764378	0.842296451	0.946351701	1.026998976	0.854151739	1.035817593	0.830588879	0.664049826	0.927760196	0.749440007	1.074381605	1.307919706	0.881500818	0.800519691	0.783990653	1.128675723	1.154897554	1.022530731	1.015165965	1.302046735	0.882469126	1.088916883	0.836601384	1.132893128	0.850009262	1.134121482	0.945476929	1.148090826	0.984834035	1.021941609	0.816567355
pyridoxal	0.818469659	1.698739588	1.845093663	1.25044894	1.387603604	1.581946876	1.018138051	0.898892545	0.91253912	0.840761584	1.530016121	1.774837408	0.406124844	1.058523714	0.674566784	0.841859826	0.720521762	0.763167668	0.697043927	1.422594013	0.701062633	0.608008847	0.970168938	0.986351512	1.258844356	0.822818953	1.038426998	2.125201836	0.778713931	1.208394077	1.45568569	1.38924762	0.515227311	1.426985387	1.013648488	0.890537297
pyridoxamine phosphate	0.874346648	0.915445061	1.110389231	1.505385721	0.834771682	1.662554062	1.449907488	0.963665089	0.753553856	1.370562995	0.881506171	1.377321153	0.955793846	0.867009968	1.376769184	0.817154683	0.797925439	1.883194162	1.612513509	0.827741079	0.952402966	1.674011778	1.010830445	1.840805214	0.829307008	1.214593587	0.989169555	1.643945525	0.986939552	2.171422928	0.823804572	1.544938118	0.717748862	1.738035507	0.932533986	1.793418008
glutathione, reduced (GSH)	0.315425893	1.02466159	0.87591459	1.218456523	0.753764013	1.069229102	1.66204489	0.657998252	0.675733994	1.350624932	0.960934495	1.829325044	0.544313603	0.870821678	1.380454024	0.702187987	0.750701053	1.013788117	0.986810902	1.080470114	0.709226245	0.7983751	0.313906198	1.374238399	0.582163111	2.187105481	0.900548612	1.421503194	0.438699091	1.291594356	0.324784338	1.051436663	1.092100636	1.483974939	1.013189098	1.572409755
serine	1.176133869	0.847138889	1.015148492	1.354705205	1.357683614	0.838815539	0.673804997	1.024565393	1.078802903	0.609879736	0.940049195	0.733256185	0.484929675	0.980224923	0.629306025	1.193409419	1.432315201	0.84430633	0.796177558	0.984851508	1.304454739	1.067674158	1.202828173	1.055796604	1.296057702	0.68992788	1.294108542	0.748993436	1.25757115	0.776958002	1.155896724	0.79809985	1.253303467	0.91621153	1.127498341	0.712145455
serotonin	1.892866681	1.298981573	0.433715634	0.917479267	0.433715634	0.791926206	0.433715634	0.587872707	0.433715634	0.630392574	1.07852209	0.735829718	0.433715634	1.794098753	0.763683082	1.88792251	1.904292406	0.433715634	0.858401842	1.370011621	0.433715634	0.969057432	1.765473089	1.17918829	0.433715634	0.530238836	0.433715634	0.846131638	1.022772056	1	1.678123669	0.983413571	1.028871069	0.433715634	1.225533573	0.890015663
spermine	0.702488204	1.852419775	3.058089536	4.418497556	0.654658809	2.596090735	0.849825811	1.155048197	0.474333626	0.800643473	0.900093774	0.71205848	0.241193849	0.682044358	1.116811192	0.843786779	0.861140348	2.945938669	1.839044302	0.745197886	1.303792569	2.406679342	1.137897067	4.939065057	0.530870471	0.556264803	1.196117341	1.8001084	0.723462554	2.785303402	0.933065204	0.869500874	1.066934796	2.812277064	0.917900076	3.631985238
taurine	0.924300461	1.048683735	0.695575134	0.761214608	1.004705204	1.406876451	0.952241708	1.254895273	1.07055504	1.052007701	0.933216864	0.79265005	0.943336282	1.169302803	0.796203209	1.036663603	1.234363704	1.307929995	1.293273865	1.001516239	0.989527436	0.95428224	0.890999105	0.764068692	1.191568361	0.865444753	1.149950704	0.961643874	0.949785152	0.998483761	1.080386982	0.924264737	1.019725508	0.928817363	1.008967067	1.012839685
thiamin monophosphate	0.406550825	0.747408809	0.696511007	0.406550825	0.657146562	1.631780805	1.566730232	0.406550825	0.406550825	1.106401318	0.77761827	0.930394056	0.737982273	0.406550825	0.95430899	0.728323849	1.072943905	1.457476087	1.015065066	0.554556134	0.984934934	1.709498238	0.406550825	1.516810325	0.406550825	1.060687425	0.406550825	0.406550825	0.772243665	1.98399823	0.406550825	1.148128881	0.406550825	1.522122382	0.406550825	0.406550825
urea	0.607765994	1.310880864	0.630218011	1.127375119	1.313456788	0.699627593	1.077523547	1.186907627	0.917455251	0.832304619	0.482005412	0.897829564	0.508689337	0.922476453	1.270032221	1.468349472	1.087395197	0.511198827	0.564178016	0.812240561	1.775673744	0.619741565	1.477664986	1.164728274	1.160277181	1.08090963	1.090618058	0.832047207	1.256373776	0.893569901	0.786733461	1.526792039	1.166625965	0.608057488	1.15969084	0.740187981
glutamate	1.307222965	1.12536969	0.865014167	1.083157133	1.388639682	0.807631329	0.638848691	1.019526025	1.22898257	0.734337183	1.288548607	0.781943289	0.550882626	1.227377389	0.619683966	1.072885901	1.423904049	0.908853703	0.731590694	0.979567207	1.340619001	0.980473975	1.215765843	0.976692737	1.842489868	0.633092269	1.611838336	0.726609612	1.162645509	0.835432004	1.456155693	0.905594602	1.171872642	0.94341672	1.229003452	0.732667757
glutamine	1.12065965	0.713023536	0.831036826	1.080373313	1.135366829	0.802521081	0.944684576	1.005059111	0.942394256	1.273363068	1.009531227	0.896165122	0.423228175	1.234250534	0.858152874	1.18755806	1.317363941	0.679727797	0.729319099	0.946429353	1.383962809	0.952003728	1.072943457	0.994940889	0.942205699	1.138374252	1.017687435	1.03604056	1.125260807	0.800208621	1.188444067	0.927829354	1.068873067	0.903763133	1.105106418	0.841520325
threonine	1.126011106	0.840145809	0.918905604	1.265535682	1.204321625	0.951234863	0.726039787	1.007765951	0.99238925	0.664464769	0.959718084	0.79447041	0.490858232	1.011970243	0.67043174	1.046260251	1.248058295	0.945533601	0.778045338	0.860775809	1.153443014	1.039907467	1.00761075	1.074466888	1.216751803	0.727471017	1.191002226	0.788806406	1.092118959	0.817133949	1.258367143	0.921092185	1.177024913	1.103879729	1.053616678	0.730763417
tryptophan	1.066293017	0.844633036	1.141980107	1.303783736	1.004593621	1.041552696	0.919125909	0.963353235	1.023259251	0.814343654	0.861726784	0.924247934	0.552949491	0.974491999	0.832785034	1.000676433	1.009704186	1.138422446	0.955672031	0.759988039	0.878033985	1.206175312	0.843146568	1.073991127	1.069975734	0.810344209	1.098750113	0.813211719	1.028727203	0.999323567	1.141098785	1.045526428	1.032884807	1.292102491	0.99851505	0.773205705
valine	1.08995296	0.860886336	1.098535711	1.470866214	1.048065592	1.080082488	0.784789058	1.00279816	0.963619559	0.857888987	0.971581596	0.838413736	0.513742606	0.993760273	0.744794344	1.030070878	1.066513782	1.102428978	0.968649331	0.792533616	1.080341025	1.283575253	0.986371757	1.168292791	1.136599242	0.706092893	1.160219625	0.822127211	1.076598341	0.952044194	1.172677895	0.99720184	1.097634993	1.254861956	0.980819491	0.868192137
nicotinate	2.339461013	1.886507695	0.590662707	0.859472058	3.148218585	0.266392912	0.5136028	1.254341066	23.5332299	0.203972874	5.140270689	0.426086645	0.408773332	1.835788714	0.315647918	1.726980802	1.816523893	0.525121031	0.266769302	1.898052026	2.234799135	0.502177105	2.113781279	0.464490032	6.155316046	0.202740678	4.928812225	0.151806029	3.567239614	0.50954668	1.450497793	0.457165289	1.140527942	0.375853075	4.320707079	0.446907852
pyridoxamine	1.13740717	1.061853322	1.015483521	0.948344512	0.944278988	1.218764528	1.059964155	0.909332148	1.011375135	1.027704384	1.180588339	0.862518938	0.630282086	1.018476679	0.745826683	0.892757676	0.868879182	1.083385857	0.97456348	1.055166333	0.881263925	0.932792748	0.873490919	1.069677983	0.868003006	0.765228317	1.148146418	1.158500559	0.884640102	1.524004197	0.993321402	0.909202249	0.710886162	1.015663555	1.006678598	1.030840616
adenosine	1.690126244	0.771287274	0.529264606	0.469256558	1.082552604	0.985540807	0.767839098	1.068462754	3.122026032	0.715789601	1.212738286	1.26618438	1.051141939	2.019322171	0.435133054	1.292331335	1.085363794	0.41106237	0.387786871	0.707415879	0.925607673	1.165244784	0.903386842	1.423383351	1.258309113	0.913409946	1.014459193	0.594940234	1.580160456	0.863396543	1.284035039	0.980977279	0.91705064	1.421456491	1.262927467	0.802472357
betaine	1.155366557	1.19802925	0.838876743	1.286991279	0.971691678	0.906825846	0.941761171	1.390490815	0.971769253	1.315960786	0.928485544	1.206611518	0.696311406	1.400047496	1.143922631	0.857770162	0.987450659	0.756176923	0.81058388	0.732968976	0.973756142	1.537128275	0.904268183	1.242994278	0.940346731	0.912854287	1.523290777	1.202931728	1.089960069	1.273677727	1.137652228	1.291090528	0.951606717	1.202057961	1.012549341	0.680827812
cysteine	0.914857098	0.932065421	0.914840852	1.537327934	1.219590949	1.087840602	0.819713855	0.882944328	0.995728501	0.944862747	0.989955425	1.339450763	0.672423283	1.142098125	0.801979632	0.927206295	1.004271499	1.145152752	0.918808465	0.878228843	1.007461481	1.098928412	0.839222014	1.366082417	1.068850461	1.080186221	1.128613566	1.01082486	0.78396923	0.939413301	1.014730947	1.058439107	0.834418945	1.265629105	1.175678751	0.943079963
dimethylglycine	0.732700067	1.046766253	0.749619338	1.022905764	0.669725508	0.885586288	0.802340767	1.131757869	0.60534087	0.531546949	1.017447416	1.084554035	2.000052476	0.854559443	0.924953428	1.365174402	0.347004172	1.061076959	1.029140249	1.160457997	1.404319789	0.669954033	0.888243942	0.997763846	0.925490037	1.002236154	1.159495655	1.150614519	0.869669139	1.75460117	3.189097185	1.355232744	0.630206019	1.091463089	0.847021523	0.997424445
alanine	1.169106444	1.004741446	1.020720831	1.136286984	1.230184268	0.856579921	0.879207584	1.118742454	1.096589244	0.732143156	1.137981821	0.944876649	0.587413468	1.168780183	0.674173831	1.174868657	1.276698007	0.894796724	0.747650297	0.931501881	1.23440393	0.995258554	1.044176705	0.967319116	1.215533235	0.864504851	1.228774909	0.958364118	1.141504277	0.81165454	1.225575628	0.832683912	1.11190938	0.964116465	0.939955886	0.854072421
tyrosine	1.068210016	0.76795669	1.273576287	1.57904907	1.096012404	1.176325959	0.894662155	0.980594748	0.205972321	0.781670874	0.95850302	0.939626814	0.582897547	0.925819807	0.758967223	1.025291156	1.150944619	1.26276945	0.999498526	0.754786275	1.109536484	1.323358112	0.966964084	1.246877876	1.082570736	0.765196912	1.000501474	0.886621578	0.66365798	1.02275359	1.266376399	1.050729707	1.173617436	1.426046023	0.976492124	0.901779093
pseudouridine	0.942608438	0.84760817	1.133199	1.189458922	1.029063648	1.014336986	0.945633335	1.169517416	1.09631021	1.054602004	1.214798366	1.082858022	0.977022094	0.881891934	0.744272299	1.373103388	0.966353233	0.970902801	0.902738848	0.835183612	1.240553368	0.907244799	1.029201688	1.127601191	1.284641326	0.985663014	1.141523099	0.691408257	1.199512355	0.81363164	1.178654417	0.892169682	0.910358367	0.911284865	1.023457691	0.752331821
uracil	1.512638765	0.590809516	0.717417372	0.534897431	1.540751158	0.734654991	0.706474038	2.320934659	1.937042395	1.402052235	1.046100825	1.754984029	0.639071838	1.05570147	0.696863424	2.667436461	1.608793903	0.478409316	0.531909602	0.873535516	1.047469941	0.85199738	1.156137846	0.465035844	2.550336991	1.357518539	0.953899175	0.510323879	1.816418942	0.721773094	1.262444267	1.235186748	0.843938707	0.428658159	1.507978711	0.277905975
cytidine	1.369964395	0.630177341	0.826978816	0.917957892	0.89045659	1.174141894	1.145115955	0.847072814	1.237963138	1.672064862	1.016533133	1.417211456	1.438318273	0.796641535	0.923109519	1.086721119	1.008483453	0.813343172	1.003362003	0.681229177	0.893853745	1.007902842	1.017934906	0.996637997	0.947313916	1.503521905	0.935323084	1.022292831	1.225175065	0.847785546	1.428380384	1.078153774	0.755984052	0.833201746	0.977741167	0.835312174
thiamin (Vitamin B1)	0.951821652	1.116050736	1.500341715	1.874074345	1.027257008	1.210522538	0.796347399	0.918682836	0.993707567	0.839904231	1.064089003	0.672779119	0.421894226	0.958435214	0.654433514	0.91235168	0.953663313	1.497002332	0.915372963	0.664828657	1.130929576	1.378802658	0.915256018	1.509733007	1.006292433	0.55369866	1.543041923	0.700819621	0.814692232	1.226322112	1.127643864	1.018416223	0.821388138	1.168043075	1.104660054	1.104266567
adenine	1.40263614	0.70229421	0.390478463	0.492232374	1.085228922	0.809918557	0.760368439	1.303321173	2.906503427	1.120549058	1.774873165	1.191225431	0.967974922	2.53937121	0.530467333	0.883336748	0.856571667	0.498611509	0.680085386	0.7138527	1.083876297	1.387310463	1.421074495	0.977124476	1.562657445	1.195607277	1.075396258	0.713099732	2.367164567	0.740093141	1.372324699	0.989537206	0.444987578	1.266494631	1.010462794	0.717651769
asparagine	1.137366049	0.7414927	0.948519363	1.432258583	1.346784918	1.095812592	0.954177194	1.03409726	0.922743914	0.877954544	0.895026425	0.889111927	0.539796453	0.893665427	0.817026463	1.124128811	1.272863045	0.963759091	0.927321668	0.891923807	1.274410124	1.20627815	0.997084973	1.164374997	1.10358734	0.983241903	1.167716524	0.944867814	1.109963802	0.965276542	1.147737704	1.002915027	1.155005169	1.109917403	1.157008076	0.911481516
pyridoxine (Vitamin B6)	1.200965563	1.313007734	0.605516117	1.453346417	1.053959861	2.030929041	0.965596643	0.757243173	1.475114491	1.959331057	0.991812153	0.904584038	0.829340658	0.919697241	1.160942335	0.807810187	0.965731281	1.915500956	1.47065281	0.837118169	0.91288649	0.962792908	0.937042493	2.480665867	0.851925591	0.713037778	1.773912883	1.136619958	0.721621652	1.008187847	1.045309972	1.036882613	0.671283782	1.184436788	0.88148345	2.108402117
trans-4-hydroxyproline	0.996370479	0.955648428	0.843234692	1.11110284	1.145935216	0.881520534	0.787448031	0.718680806	1.49680055	0.976456979	2.161036519	0.903348369	0.647962457	1.182362988	0.615555745	1.20230526	1.738696472	1.178731917	0.715757401	1.396513148	1.792853893	0.822191856	1.212157929	1.017954854	1.54598549	0.941531204	1.185775234	0.826631176	1.003629521	0.635526773	1.022609519	0.694071993	1.079927346	0.9820126	1.190586694	0.581186986
sarcosine	1.134789174	0.709790792	1.086947068	0.2660483	0.975301285	1.825611216	0.971437045	0.869738472	0.412381504	1.09475301	1	2.704939466	0.2660483	0.796267002	0.2660483	1.400964179	0.2660483	0.2660483	0.936097837	2.33176971	1.185054176	2.063856793	1.538184548	0.538862893	1.550695193	0.2660483	0.882822334	1.009588119	0.623273638	1.383348798	0.2660483	0.2660483	0.381179313	0.808050058	1.271391508	0.64027209
pipecolate	1.683516454	0.965771321	3.611144844	1.013302821	1.559635823	0.593605043	0.561701394	1.33252009	0.986697179	0.688674751	2.25330142	0.741696555	0.306691915	2.097436975	0.698887662	1.052972197	1.325672284	0.560705378	0.457438476	1.475617609	1.432185948	1.11601801	1.47054958	0.95838737	1.212578803	0.807604537	1.41642228	0.777345842	0.871233615	0.779377294	1.557504662	0.770705653	2.032210726	1.044923408	0.014416765	0.841631975
3-ureidopropionate	0.981887981	0.974782027	1.277821482	0.675071694	1.033616806	1.313331078	1.655825215	1.501801904	0.768356156	0.623545466	0.737784025	2.401654214	1.514758097	1.415074386	0.63323378	1.016004484	0.744518261	0.073905377	0.876851848	0.495918838	1.00745815	0.195319519	0.667440808	0.683372409	0.631944371	1.959907736	1.04713177	1.482641467	1.102277133	0.99254185	1.086354208	0.792079954	1.14382807	1.041269094	0.866384958	1.19862319
4-acetamidobutanoate	1.227481913	0.865500568	0.903277087	0.954744663	1.192128119	0.934932714	0.420943418	1.708508783	1.002859007	0.997140993	1.314164899	0.752615473	0.879449304	1.050614782	0.751712234	1.534824461	1.420453964	0.906202218	0.468012731	0.841335348	1.3205796	1.174691178	1.431751609	0.210374227	0.993862066	0.210374227	1.556079548	0.498584471	2.320401679	1.059840089	1.364817174	0.702053181	1.846333498	1.169987518	0.992123075	0.210374227
3-aminoisobutyrate	1.365943176	1.072577059	0.839541412	0.994889404	1.390907378	0.979973058	1.392964805	1.26236623	1.029967405	0.359964014	1.080316904	0.799201146	0.560622504	1.008254202	0.399929347	0.912238111	1.291114628	0.632973472	0.739928593	0.844046273	1.51362857	1.371367473	1.149342452	1	1.849988695	0.45373521	2.014521629	0.697548798	1.2256632	0.698864835	1.157467594	0.359964014	1.522488507	0.513319579	0.784556108	0.372589306
tyramine	21.47557118	34.84315146	0.604003051	0.463337816	21.0655524	0.090664224	0.119292833	2.866284411	167.6827516	0.412009806	9.973113402	0.25812444	0.177798224	10.9951604	0.055277423	3.854645898	11.69026357	0.061946086	0.040423862	9.456989548	1.286399505	0.48249577	0.28170607	0.128544497	29.3023	0.104843323	46.55319446	0.08897311	97.74303316	0.713600495	9.946308763	4.520790535	2.173452852	0.036707535	44.36183522	0.04349496
gamma-glutamylglutamine	1.489067907	0.632919644	0.273752377	0.442111813	1.821948356	0.485599038	0.705718583	1.169701168	1.257675344	1.153060212	1.4692886	1.345428134	0.330532694	1.846918971	0.472286092	1.037344076	1.748191037	0.293172754	0.325186728	1.139319156	1.484439656	0.302479158	1.511543177	0.609924681	1.520330465	1.503369569	0.962655924	0.865102516	1.230854505	0.44816112	1.74538503	0.677549619	0.87120812	0.559450537	1.380062305	0.283837792
N-acetylneuraminate	0.854640008	1.379555918	0.728899635	0.926669213	1.343895557	0.778239785	0.914708325	0.91234448	1.341968604	0.869738271	1.058553152	1.095863929	0.563127045	1.244109615	1.036176845	0.832933959	1.089346926	0.973789277	0.771215561	0.946902384	1.42569683	0.847421311	1.11007047	0.933928564	1.074605419	0.675706585	1.235831547	0.823783616	1.080542777	0.938530769	1.105819237	1.300480527	1.026210723	1.151677242	1.254339699	0.73078828
phenethylamine	1.731146042	1.497524824	1.118994953	0.799490734	1.133779689	0.996533511	1.046828694	0.74088924	3.704542911	1.432399311	1.12140312	0.814340407	0.645503442	0.789802801	0.560015585	0.458835265	1.213402562	1.029265516	0.604947312	1.454590922	0.652504121	0.956425026	0.458835265	0.642881124	1.276719532	0.458835265	1.428529388	0.551280971	1.35422576	1.529673785	0.853281421	0.473403087	0.458835265	1	1.1858696	0.789881554
N-acetylglucosaminylasparagine	0.554403039	1.060528803	0.88423818	0.82259535	0.829587117	1.083211169	1.387861539	0.699875018	0.638063145	0.997109626	0.739048865	1.176861492	0.970736006	0.616569628	1.141534087	0.554403039	0.975519117	1.406453597	1.037233998	0.554403039	1.040891998	1.177263318	0.554403039	1.094938936	0.833954547	0.972157638	0.937631113	1.204997603	0.554403039	0.554403039	1.059026806	1.002890374	1.021817749	1.586912122	0.725949348	0.554403039
cytidine 5'-diphosphocholine	0.404647588	1.20087294	1.320906998	1.341093684	0.822461849	1.281271084	1.129349339	0.941651062	0.245197488	1.073028797	0.750458935	1.105626469	0.427095372	0.831623392	1.264699719	0.89932018	0.870394936	1.279810684	1.277365567	1.004105649	0.992024946	1.120961279	0.902963147	1.272638617	0.818390196	0.85249086	0.82462273	1.165136755	0.681942787	1.33226493	0.487924373	1.276196572	0.995894351	1.407550117	0.933519247	1.128115722
creatine	0.986290491	1.0147894	1.079358648	1.001275511	0.982368388	1.058541463	0.9515114	0.994631854	0.944949811	1.025364361	1.014561533	0.984181739	0.774224781	0.992812348	0.944626156	1.074682521	1.011058117	1.057274219	0.975168938	0.91052066	1.119707485	1.004020991	1.088365087	0.998915486	1.029116436	0.859282001	0.998621554	0.967465195	0.976798807	1.076529048	1.004740698	1.068005563	1.001084514	1.017783606	0.973493231	0.942048798
gamma-glutamylhistidine	2.000136266	1.105123336	0.550573165	0.990045983	1.069985152	0.577055882	1.251053688	2.241617136	1.619968406	0.890797313	0.974384612	1.009954017	0.634296154	1.36468444	0.61332674	2.27826057	1.669144846	0.496912602	0.938232195	0.963977237	1.749073665	0.809053341	2.222404229	0.622862474	2.032704949	0.947664435	1.864642036	0.705158409	2.40475608	1.015589788	0.962440941	0.808052908	1.938048495	0.682820588	1.923205869	0.796038517
N1-methyladenosine	0.985595444	1.000300114	1.097075642	0.790360327	1.138330636	1.154204664	0.925329994	0.802833577	1.095443829	0.899641138	1.25974011	1.01778232	0.784653489	0.941094239	0.743349357	1.071787354	1.130696225	0.91871877	0.789525916	0.842018249	1.11121616	1.067596638	1.229221435	0.877153087	1.067714817	0.886971025	1.01521191	0.533344571	1.048899047	0.999699886	1.021958419	1.046874752	0.80924545	0.841839113	1.104452857	0.642605789
choline	1.169654837	0.947883922	0.658705934	0.647381402	1.008967085	0.987863843	1.147446768	0.956507638	1.200008232	1.033410401	1.114172226	0.80578082	0.671069843	1.014757562	0.746205871	1.071603378	1.059125161	1.070670279	0.928193061	0.973942785	1.148185306	0.852417367	1.069291871	0.798571591	1.342833382	1.012494179	1.165787745	0.672524955	0.98700714	1.10894001	0.991032915	0.862611666	1.01420948	0.832630022	1.065510618	0.727688779
S-adenosylmethionine (SAM)	0.436219349	1.520444771	0.647500578	0.401341295	0.873525485	0.865908372	1.094731914	0.410899786	0.426259986	1.892560797	0.702150567	1.213614403	0.314404245	0.717317004	1.57670946	1.111846667	1.500812688	1.482033593	1.098895438	1.146245916	1.500402741	0.893374285	1.832576159	0.580175327	0.314404245	1.515572914	1	1.428960939	0.432852233	2.316084601	0.384211597	1.494649071	0.593384908	0.524977141	0.708192481	1.017725937
gamma-glutamylleucine	1.219019027	0.9464921	1.118213377	1.050930459	1.366303705	0.665112493	0.564069026	1.03666217	1.031872014	0.721452923	1.144212876	0.76638905	0.505458062	1.098694571	0.50371298	1.065063839	1.206819091	0.892570566	0.583952557	0.880090996	1.262516252	0.768447221	1.212155063	0.987690792	1.210241619	0.558542873	1.13357475	0.789620564	1.073043069	0.608604064	1.36336772	0.799052878	1.373272032	0.764650514	1.012309208	0.584256919
nicotinamide adenine dinucleotide (NAD+)	0.888761172	1.267614294	1.969624606	0.284153444	0.91933925	0.534514432	1.278831289	0.418528854	0.297933235	1.656770292	0.38492548	4.533895498	0.722432426	1.746001582	1.761298103	0.95886127	0.928944295	0.833013551	0.580657009	1.829945405	1.948125139	1.104065991	0.912692847	0.444324134	2.134976661	3.452916439	1.550952921	1.338443509	0.335984776	2.648074604	0.869810899	2.992236115	1.04113873	0.732937986	1.044833292	0.284976423
nicotinamide ribonucleotide (NMN)	0.887821055	0.942202247	1.439009273	0.969854756	1.175069119	0.882941696	1.386857226	0.922642703	0.802295	0.991571863	0.765919604	1.368258564	1.013838045	0.99766643	1.099994863	0.89637804	0.966949373	1.297339427	0.754264386	0.756417739	1.135368112	1.00233357	1.074927723	0.744171338	1.159130777	1.216936109	0.89868803	1.143809724	0.941172309	1.460446789	1.230038966	1.585625007	0.646990907	1.078985996	1.009798299	0.832808259
3-methoxytyrosine	0.926212091	0.468400184	0.862560356	1.002484312	0.751410565	3.067085466	1.071310379	0.872502125	0.282221459	1.29091316	0.626801635	1.037538203	1.565188889	0.530189251	0.592893828	1.875081379	0.80320587	3.064085755	2.860166465	1.493001429	1.339604771	1	0.782974212	1.00794799	0.773642784	1.125897427	0.282221459	0.834638407	1.291256759	1.025207064	0.515843988	0.804035481	0.579260629	1.591410926	0.679324828	1.814225907
S-lactoylglutathione	1.262204071	1.477375182	0.770404434	0.51533658	1.413406498	0.74534728	0.935890989	1.65046571	0.5909261	0.350838162	2.071169217	1	0.589514059	2.011752393	0.788646955	2.154944483	2.483619737	0.671658023	0.350838162	0.350838162	1.966312731	0.353644704	0.567076344	0.350838162	2.021695151	0.540998895	1.369501663	0.859439043	1.761236399	0.350838162	0.350838162	0.896269054	3.025279339	1.002865011	1.896567249	0.731896345
carnitine	1.030776873	1.011095536	0.960559469	1.117454019	1.162469496	0.760393592	0.817337354	1.196457549	0.980856562	0.882086888	1.077274497	0.944287659	0.836047579	1.045121615	0.820385686	1.096912978	1.124275919	0.754165177	0.733036985	0.988112962	1.136699053	1.042209029	1.045911161	1.040753239	1.093106737	0.83680236	1.108069244	0.880714874	1.131598952	0.903118765	0.988904464	0.885341663	1.104267359	0.842380076	1.121381238	0.923357165
methionine sulfoxide	1.399294502	1.133533876	0.970147698	1.180321206	1.158551862	0.780868773	0.581513732	1.255481916	0.942985132	0.702453934	0.910727361	0.513643297	0.500711529	0.93738578	0.560289098	0.986677078	1.263479455	1.199410354	0.824506181	0.75454564	1.013968218	1.189638081	1.013322922	1.025863125	1.721985583	0.408068755	1.518973864	0.581623829	1.47806318	0.840331703	1.605593104	0.788419717	1.2089182	1.015328168	1.041034737	0.807254667
anserine	0.920700256	1.075705681	1.203578039	1.046569309	0.913721024	1.308022646	1.044411969	1.018290206	0.785356055	1.142724543	0.848044792	1.011575644	0.98213553	0.761736604	0.988424356	0.928890536	0.84134123	1.527213434	1.272861773	0.824061626	0.878997071	1.214229461	0.932976598	1.018604812	1.019461984	0.855168299	0.952630407	1.062723994	0.946560174	1.251989332	0.933512184	1.041285754	0.921228116	1.171143473	0.854575332	1.016621895
5-hydroxylysine	1.180495241	0.821724609	0.815031701	1.011189217	1.158861811	0.823181259	0.93253819	1.04333863	1.419516283	0.779711217	1.689118893	0.853946804	0.457062681	1.135665591	0.67504468	1.115321009	1.000379073	1.077306582	0.6784624	1.024333438	1.332956282	0.771263455	0.937245769	1.277566171	1.148590456	0.697210833	0.832281027	0.710621922	0.739560842	0.974014815	0.999620927	1.191879554	1.200751878	1.067167649	1.075034167	0.392392869
4-guanidinobutanoate	1.122703936	1.08863494	1.004233608	1.230914084	0.572374399	1.212871181	0.571669878	0.736010671	0.915401626	0.950155999	1.285989126	0.95911096	0.596850919	1.263516015	0.880171877	1.119452889	1.215597372	0.832495487	0.681318668	0.607458207	1.185793793	0.405607837	1.083536291	0.706282492	0.998563419	0.910302535	1.214541621	1.033622633	1.001436581	1.200180813	0.883264761	1.189325972	1.1872613	0.753391319	1.134307332	0.65288923
cadaverine	1.905079215	2.124050079	0.277653426	0.277653426	0.555983281	0.277653426	0.277653426	0.277653426	39.87515236	0.277653426	0.396583662	0.277653426	0.277653426	0.774136214	0.277653426	0.277653426	1	0.277653426	0.277653426	0.277653426	0.277653426	0.277653426	0.277653426	0.277653426	2.332946879	0.277653426	7.801442046	0.277653426	0.782577095	0.277653426	1.36991245	0.277653426	0.277653426	0.277653426	0.753667024	0.277653426
imidazole lactate	0.941712254	4.851634844	0.918717344	0.844437074	3.067114752	0.990665912	3.506718467	0.734923271	0.499734391	1.300258243	0.439281613	1.407435351	0.59577027	3.697823919	1.054802054	0.606631844	0.36770883	1.320049198	0.964122887	1.0556277	0.44568911	1.086720102	0.53180267	1.009334088	3.359570348	3.499417075	3.818378658	2.199770991	0.471587099	1.363792213	0.911011452	1.082980558	0.374934482	0.623237153	1.575749808	0.621406499
kynurenine	1.904541402	1.157592639	0.915752735	0.908281703	1.184261344	0.659619849	0.626423641	1.661214055	1.881672653	0.961244595	1.465123028	0.638504279	1.045827673	1.27219638	0.620832543	1.068134324	1.06669771	0.673833184	0.56652789	0.979582533	1.358848459	0.823386739	1.495261513	0.800292342	1.235434583	0.536459694	0.977231526	0.590327727	1.390095082	0.778875413	1.205850752	0.82200542	1.020417467	1.149579713	1.179716922	0.45750674
glycerophosphorylcholine (GPC)	1.200031005	1.295870808	1.162440181	0.828408936	1.22362472	0.983657177	0.944268523	1.122086991	1.005321938	1.101410986	0.994678062	0.862885206	0.626270712	1.161058554	0.765092858	1.213537788	1.047686369	1.040591431	0.951055114	0.969957965	1.036777775	0.957557997	0.940078038	0.78861626	1.196161637	0.735107344	1.151843737	0.98100285	1.203137586	1.032754241	1.334911673	0.863752563	0.913426409	0.786001381	1.112501167	0.901221918
N-acetylglutamate	2.50031067	1.104823218	0.780470606	1.322140765	1.83363241	0.693675761	0.663541517	0.882199768	1.389008432	0.720309627	0.770655633	1.251238334	0.993298056	1.540900201	0.818133669	1.091024074	1.667040314	0.970439666	0.788850013	0.710497816	1.204629859	1.231823406	1.238236024	0.737988595	2.287951203	0.724062969	1.316882291	0.957718778	0.977130543	1.066369646	1.834318572	1.006701944	0.817536043	0.748733208	1.460053154	0.657188978
5-aminovalerate	0.950407122	0.815237309	1.732583474	1.545415663	1.577460463	1.050160728	0.549768032	0.916654806	0.675578143	1.931062066	1.240343825	1.137872293	0.683906391	0.426956911	1.829638688	0.642129015	1.000462997	0.453294912	0.926279224	0.795393456	1.572105198	0.867339688	1.18163922	1.440125655	1.05471761	0.942990433	0.999537003	1.504996238	0.896208598	1.470352813	0.626517974	1.795043096	0.914924197	0.874874597	1.665668977	1.003479065
glycylvaline	0.729884965	0.969702561	1.43797604	2.049404144	0.8622179	1.386686511	1.119274975	1.03981855	0.714161674	1.001646538	0.798121417	1.176961364	0.623732894	0.739277881	1.073197765	0.998353462	0.811427149	1.50247327	1.133539175	0.654861373	0.92961223	1.554441636	0.864492643	1.714359585	0.846727762	0.814979849	0.983309623	1.279821745	0.912461857	1.311995643	0.95106324	1.501770579	1.037952248	1.553814508	0.827256168	1.101890064
1-methylguanidine	1.282511019	1.390785289	0.970261079	0.604410813	1.37958712	0.798285228	0.925581416	1.405246589	1.26221016	0.666096284	1.186741465	0.843339729	0.771230787	1.220927777	0.721255061	1.277550542	1.271421981	0.872448239	0.708334529	1.075296372	1.298921571	0.942886148	1.224882356	0.900688449	1.153821152	0.642637542	1.343063776	0.642826902	1.489679081	0.644202896	1.4107855	0.94157917	1.029738921	0.938523085	1.218193045	0.793632732
hexanoylcarnitine (C6)	0.802866427	1.223155447	1.216666486	0.598015307	1.044405826	1.047194777	0.926149557	0.765818669	0.556256406	1.752939778	0.425653214	1.545550392	0.873106587	0.941394382	1.46969343	0.77797517	1.081834388	0.96138633	0.904141722	0.562601981	0.927442848	2.034668244	1.188805464	0.937055287	1.471395825	1.159136618	0.866909961	1.705550153	1.018571477	1.683826762	1.45072055	1.800938844	0.603075711	1.155509859	0.972886869	0.981428523
acetylcarnitine (C2)	1.058728851	1.109301226	1.041313255	1.048015839	1.075780313	0.822991218	0.890814251	1.023645358	0.872400482	0.993461436	0.849503332	0.950909307	0.76228497	1.002106572	0.927603776	0.997893428	1.104996866	0.749040046	0.741809533	0.830802892	1.033601062	1.198431505	1.112811239	1.051320092	1.112953285	0.815588138	1.006308744	0.955831127	1.09070565	0.945182591	1.056602308	1.046072427	0.94984668	0.989022369	1.031258469	0.935960827
homoarginine	2.042040338	0.843435368	0.375168665	0.628978031	2.404775358	0.669590925	0.891335759	1.482527915	2.562501877	0.674155231	1.8073409	0.588161991	0.505059478	1.181876241	0.916769866	2.422382338	2.052724356	0.499670929	0.723809621	1.125714516	2.581256378	0.52698208	2.026787415	0.489719212	1.591225285	1.340564666	1.789126392	0.714678141	1.083230134	0.579809034	1.131529213	0.900022922	1.713712387	0.586810414	1.88800142	0.534904381
homocitrulline	1.328437033	0.521008264	0.766380128	1.783084368	0.507404028	0.993874808	1.017883121	1.196947895	1.163705676	1.889165421	0.82764788	0.496600129	0.976365778	0.805856401	0.775069326	1.176911673	0.909518729	0.424764412	1.496053442	1.125134346	1.221940324	0.989376219	1.513645603	1.476432876	0.939638379	1.465826117	1.588300658	0.693325152	1.006125192	0.761158692	0.776344005	0.441843535	1.352704241	0.541261418	1.076244446	1.016614776
N-acetylglycine	0.639197156	1.535437732	0.622808556	0.922769864	1.722174415	0.946047571	0.808071658	1.595688218	1.48114562	0.948382006	1.177499554	0.708120249	1.449427585	0.640879722	0.746537492	1.799720295	0.864692059	2.282533923	0.884154958	1.87564734	2.921322165	0.541091038	2.209624562	0.968160002	2.964962771	0.703370502	2.246573725	1.031839998	1.042405775	1.580386605	0.377702587	1.09786187	0.536317675	0.612748098	1.304736936	0.877881811
1-methylhistidine	1.220452159	0.557605753	0.643661363	1.30470757	0.73572714	0.592261497	1.59794983	1.156599162	1.152739276	2.329168332	0.725797794	0.690139238	1.215978139	0.77982795	0.784260135	1.732827015	1.099695801	0.559360581	0.900304199	0.711362682	1.363741104	0.853749059	1.482983559	0.857302762	1.313935647	1.521226372	1.537303105	0.815972408	1.341475885	1.27374886	0.697533529	0.7528757	1.405832903	0.567211533	1.317016412	0.772022296
butyrylcarnitine (C4)	1.019440604	1.140512988	1.109947205	0.843245672	1.075830692	0.906687779	0.871097112	1.001530776	0.851275451	1.076521094	0.752563642	0.97301373	0.778181969	1.059037895	0.998469224	0.983595067	1.150147785	0.867754907	0.85312732	0.825464901	1.023811189	1.395111862	1.127966586	0.948731026	1.173096016	0.78737914	1.025822597	0.991672706	1.116407272	1.122940083	1.209091795	1.142130239	0.914512514	0.916922535	1.054291363	0.957822487
isobutyrylcarnitine (C4)	0.980433748	0.776861249	0.718610256	0.869120006	1.466890411	0.719480617	0.636094399	1.308672411	1.153023963	2.093360408	1.178907551	1.050664813	0.669571611	1.298724742	0.94889225	1.641394301	1.011610456	0.662785137	0.208056879	0.768054356	0.959770106	0.767072242	1.020460035	0.905750162	1.446478034	0.625088189	0.636280108	0.400464106	1.274884353	1.517071061	1.558748034	1.116037077	1.348544139	1.628557189	1.003857336	0.996142664
trigonelline (N'-methylnicotinate)	0.426401511	7.48366175	5.610181401	0.761349324	3.350645428	0.461842114	1.013507577	1.503247417	1.849873313	2.345885553	0.239111263	0.224232315	4.642205153	0.225809909	1.740674056	2.041930108	15.15755864	0.576856005	0.37547265	1.082826863	1.207801522	2.710472321	0.983265225	0.759196814	3.383271637	0.769266223	0.293336466	0.986492423	1.755112257	0.543332715	0.25106834	1.905021391	0.562012614	0.607356573	3.641288592	0.66071237
glutamate, gamma-methyl ester	1.449990343	1.155200702	1.334740179	0.772931326	1.444802121	0.628137712	0.977487894	1.930222724	1.88322821	0.855146267	1.336373468	0.840645197	0.590924839	1.477871185	0.499080154	2.046875523	9.102820686	0.668832844	0.810315591	5.348804271	1.409157036	0.503278702	1.75213719	0.768491207	0.774504417	0.57151938	1.950133624	1.045593829	0.886301484	0.600792097	1.995900482	0.558411588	2.643164653	0.663163198	1.022512106	0.727240885
threonylphenylalanine	0.998021268	2.460812864	3.012654488	5.63299861	0.646354086	1.028125161	0.580737293	0.442133349	0.546253669	0.6660809	1.266173593	0.258182064	0.317566559	0.747166435	0.89191256	0.775149982	1.774551985	2.627129358	1.071999073	1.022660152	1.199159972	1.242680493	0.647982002	2.933248365	0.308356507	0.228421906	1.001978732	1.259414748	0.22572738	1.263092847	0.554268371	0.575700345	1.971347649	1.026783691	0.828097482	1.728197255
gamma-glutamylvaline	1.86236908	1.120326414	1.181171498	0.249189573	1.836388195	0.39579649	0.572968454	1.81818249	0.852666298	1.061319811	0.968797114	0.712507847	0.249189573	1.537856024	0.535066349	1.042776755	1	0.249189573	0.249189573	0.848665895	1.770390233	0.71768733	2.12811768	0.543538709	1.048693022	0.713373833	1.107507908	0.782937466	1.342062751	0.258901311	1.482131647	0.689134918	1.664862964	0.684662831	1.603486637	0.487716649
propionylcarnitine (C3)	1.027291183	1.032568221	0.813786911	1.070548835	1.434963827	0.714295152	0.781040719	1.449674164	0.837605837	0.925101206	0.977890794	0.744800917	0.578994922	1.360760354	0.720931378	1.265911287	1.147454767	0.749253718	0.690814375	0.99389455	1.159037375	1.00610545	1.122113547	0.90067802	1.248547966	0.651723733	1.271348081	0.899681385	1.444740729	0.806233031	1.212746288	0.87066125	1.156345784	0.735718097	1.266867721	1.059583624
pro-hydroxy-pro	1.20947065	1.033940709	0.730467704	0.776048266	1.021144084	0.976988921	1.055988806	0.978855916	1.492466805	0.797374998	2.693655154	0.918958575	0.469058243	1.243690114	0.640684938	1.255540974	1.247819335	1.159956007	0.761902543	1.104230201	1.918415582	0.489918621	1.273795211	0.892043687	1.465774515	0.90626616	1.226560801	0.946711641	0.668012839	0.827767966	0.926553272	0.880498703	1.116034246	1.540832666	1.129303978	0.543948939
1-methylhistamine	1.3417454	0.644279649	0.936360096	0.366394113	1.423906862	1.054971411	0.598925725	1.246649313	2.097476359	0.573314894	1.474770424	1.136336596	0.750979718	1.382876802	0.330887812	2.628860669	1.110231104	0.961934128	0.678735573	1.21688341	1.433591758	0.762037455	0.723450631	0.490281898	1.277272962	0.905811124	1.445834771	0.362578285	1.038065872	0.543467088	1.310840821	0.595397224	1.23025995	0.614970196	1.890705762	0.438441972
1-methyl-4-imidazoleacetate	1.832206325	0.997113917	1.002886083	0.487135936	1.459275857	0.435761887	0.399232688	1.758384283	1.864864993	0.554143615	2.112405063	0.544781509	0.667393849	1.897464554	0.278390859	3.042128799	1.285819398	0.40558506	0.367309128	1.709175476	1.816248622	0.697347834	1.226165524	0.350455299	1.680473622	0.493126869	1.922480673	0.372583296	1.19528552	0.668345686	1.33393913	0.43094971	1.999033896	0.324305264	1.971385109	0.2907396
N-acetylglutamine	1.335041075	0.750721978	0.476120258	0.603754773	1.655110053	0.638617846	0.606013663	1.088817095	1.117454735	1.213752323	1.148060742	1.013653349	0.574148532	1.354986796	0.726205085	1.348502817	1.589809543	0.370461621	0.514856645	1.05983066	1.19716499	0.827020454	1.28142338	0.661864502	1.986583787	1.120959201	0.986346651	0.838632264	1.383072384	0.539845371	1.671623941	0.86378956	0.931227005	0.573555828	1.274492773	0.458651322
N-acetylasparagine	1.209915644	0.836887619	0.643829017	0.890477514	1.374440238	0.582175727	0.971156224	1.421423709	1.245864065	1.196097392	1.13293884	0.740672209	0.553870218	1.3413398	0.791632019	1.95316258	1.254961591	0.375614531	0.472026638	0.946724584	1.221772816	0.695103307	1.194913677	1.071459868	1.028843776	0.919768863	0.951254502	0.64702917	1.709885021	0.41955921	1.432462292	1.251277352	1.093261423	0.625427845	1.218361833	0.741805277
glycylleucine	0.859374301	1.06922379	1.482828187	1.740566883	0.98939341	1.196601299	0.650980122	1.231118124	0.871533135	0.590908658	1.051404125	0.831045051	0.523313657	0.883995704	0.684799757	0.999444499	0.893213176	1.28246519	0.890774299	0.72821289	1.03300599	1.42210129	1.000555501	1.565958876	0.936194234	0.487320887	1.148212953	0.859707107	1.035207358	1.095677366	1.283238227	1.218688807	1.16728158	1.334128957	0.949637513	0.812895997
gamma-glutamyl-epsilon-lysine	1.625953256	0.449558037	0.449558037	0.831504506	1.450783827	0.613879889	0.983760625	1.756232263	1.888000412	1	1.08552881	0.756223768	0.919940305	1.34083267	0.615775728	1.98182532	1.804257326	0.486158598	0.91027217	0.94219561	1.688618651	0.974176474	1.125612424	0.622052537	2.194912075	1.170535107	1.864542438	0.573710246	1.866221057	0.920127308	1.436242965	0.902722148	1.50860424	0.492349379	1.866080939	0.715160833
N-acetylarginine	1.287133248	1.335596968	0.716887563	0.811137065	1.178590088	0.738389942	0.703705222	1.076531692	1.124082461	0.898352393	1.146485295	0.760269137	0.528369035	1.42130698	0.778156026	1.260531542	1.320237289	0.777188017	0.654263341	1.124040679	1.635208514	0.719819315	1.420170673	0.752685552	1.189927003	0.734428094	1.317373091	0.900192352	1.191801325	0.794631317	1.081648982	0.923468308	1.106094827	0.906854786	1.352258519	0.868749038
gamma-glutamylglycine	1.652962274	1.312486741	0.775495305	0.632299094	1.87746193	0.614096955	0.835942545	1.555678139	1.707883511	0.655636667	1.461703769	0.8373356	0.422480197	1.388522363	0.545015834	1.449839698	1.662863768	0.562835396	0.452980412	1.657502124	1.805663849	0.563270791	1.938310512	0.639779683	2.396327326	0.655370149	1.462926558	0.620728993	1.259302566	0.737438055	1.331216358	0.579642049	1.1626644	0.565270896	1.536439809	0.376302297
stachydrine	3.318969891	0.892867025	1.751127264	0.399480165	2.673703671	1.064232795	0.744513554	0.627911501	3.324343845	1.970144947	4.539481585	0.339829229	4.688017882	2.472436759	1.575528801	0.611490717	0.896864065	0.871060884	0.935767205	2.22911014	4.480465303	0.628659866	3.161338682	0.384612178	5.359995824	0.74646338	2.920474652	0.675834317	0.446903351	0.558971202	2.296188829	1.733258565	0.465384209	0.708333517	3.688236843	0.39608918
nicotinamide riboside	0.714347095	0.870278234	2.721291812	0.812262894	1.1297584	1.244206499	3.222540238	0.2484063	0.832522419	1.297952434	0.544578856	2.237287426	2.183179341	0.756245666	2.66366165	0.623910865	0.392765353	2.024253652	0.44202522	0.70343337	0.901576037	1.400157525	0.959050243	1.19338394	0.974645764	2.460286633	0.49049275	1.89433668	0.525546039	1.20607388	1.451790214	2.572934444	0.439995709	1.025354236	0.688488883	1.053432454
ophthalmate	1.392438547	0.894596452	1.548630361	0.604963798	2.538348094	0.26132644	0.314426841	3.456606536	2.080292323	0.770921482	1.551991517	0.497170535	2.046344895	1.19645817	0.239222968	2.103390733	1.08244911	0.706395427	0.246691622	1.610994781	4.103535451	0.495031092	2.533529126	0.538700938	1.292376706	0.51274341	1.215353038	0.478647907	2.365096312	0.52591538	0.91755089	0.309077861	3.775456795	0.431210911	3.643683198	0.257358064
gamma-glutamylmethionine	2.3093528	0.925874512	0.338332819	0.730006407	1.907544059	0.54967602	0.65158819	1.580217166	1.830963809	0.71389016	1.732183834	1.230213414	0.279974175	1.758353723	0.329881556	1.316004368	1.335368118	0.392256091	0.366015625	1.074125488	1.689995114	0.586663963	1.794208469	0.866128199	1.6404764	0.868695785	1.517280009	0.788944571	1.308187298	0.711526352	2.146447801	0.802687068	1.180408418	0.840757512	1.371161234	0.292728604
gamma-glutamylthreonine	1.299104557	1.008702361	1.145687972	0.645864693	1.291457592	0.641923123	0.773304612	2.099985369	0.81980342	1.543521396	0.93681815	0.789035277	0.62129029	1.215712362	0.67277949	1.682868223	1.200211846	0.991297639	0.584808979	0.698427372	1.626727828	0.882576482	1.194685537	0.63785223	1.110084514	0.7231437	1.30311572	1.297842027	1.76441594	0.628623815	1.480282009	0.948054339	2.114837633	0.790972362	1.12937536	0.792742863
valerylcarnitine (C5)	1.00097319	1.048409985	0.739853403	0.786112515	1.652058592	0.847278838	0.748684421	1.396755982	0.667175518	1.289225857	0.620734899	1.0739939	0.653068325	1.40260652	0.953218566	1.280890549	1.010696411	0.782249175	0.676913795	0.75032331	1.048487007	0.99902681	1.093584499	0.820202313	1.506987194	0.744349064	1.159825014	0.998250109	1.284271974	0.948134636	1.53992106	1.279812611	0.955774508	0.754441594	1.333806541	1.006111438
methylurea	1.192102693	0.679936932	0.59119558	1.41056352	0.877880324	0.59119558	1.041849569	1.675012261	0.59119558	1.630159251	0.59119558	1.396304268	1.25645983	0.59119558	0.59119558	0.86673395	0.59119558	0.59119558	0.59119558	0.59119558	1.458115979	0.670460487	0.59119558	1.163948978	1.053490436	0.757588654	1.057389641	0.704564339	0.59119558	0.59119558	0.958150431	0.633081628	0.592808765	1.232797091	0.878107305	0.832938144
N1-methylinosine	1.151210837	1.145174051	1.004893348	0.807133919	0.878314018	1.041239061	1.289818286	1.400071305	0.772538163	0.934312666	0.97177767	1.085701056	0.76438211	0.930378102	0.819554073	1.145492225	1.371506654	1.037935163	0.886796768	0.802631186	1.227586834	0.887455843	0.995106652	0.797159728	1.06996564	1.105098314	0.509967799	0.825309616	1.236117878	1.130503951	0.908282044	1.09828882	1.018208367	0.924687898	1.06722707	0.972692421
N2,N2-dimethylguanosine	2.166756079	1.040210567	0.420345859	0.396707377	1.47090874	0.870432618	1.119403673	0.717553669	0.396707377	0.396707377	0.752638373	0.880478973	1.360264717	0.978478084	0.396707377	1	1.377494824	0.751821085	0.396707377	0.881153759	1.287341677	0.721904155	1.105907944	0.486562948	1.570739415	0.919054964	0.396707377	0.396707377	1.167585941	0.396707377	1.439189586	0.633180214	1.079800833	0.396707377	1.112341467	0.396707377
N4-acetylcytidine	0.411565612	0.411565612	1.005638856	1.360851335	1	1.735962438	0.934810192	0.907050663	0.654905901	0.411565612	1.497111334	1.579501101	1.547191199	0.716514666	0.697134521	0.553857351	0.411565612	1.129658255	1.250476614	0.919033633	0.711449035	0.411565612	0.551954116	2.020504051	1.073163427	0.411565612	0.411565612	0.411565612	1.017521995	0.411565612	0.941614819	1.183216112	0.411565612	0.411565612	0.411565612	0.632057426
cysteine-glutathione disulfide	2.016475859	0.900160729	1.121448099	1.428178878	1.179418964	0.836276792	0.46537337	0.978019449	1.117276125	0.810771039	0.608051864	0.667386953	0.689952941	1.122736133	0.5457485	1.314380277	1.052814058	1.251554368	0.896914529	0.913145767	1.021980551	1.567830158	2.495255467	1.585537508	1.534809437	0.575135126	1.591780495	0.667193125	1.271528236	0.80408577	3.454331762	0.918685319	0.850701045	0.962782508	1.445314328	0.844171988
7-methylguanine	1.130636352	1.170845554	1.176412993	0.408792202	1.114512537	0.839003683	0.878642468	1.051007417	1.07354327	0.799905911	1.275158959	1.220599672	0.817979139	1.039152902	0.762174639	1.151838784	1.132975353	0.807175778	0.496993553	0.717552797	0.975640432	0.871052109	1.400936482	0.745348094	1.223975125	0.94465198	1.024359568	0.780071449	1.447730464	0.851261017	1.408520226	1.147339405	0.843648606	0.8881374	1.14850523	0.682634647
N-glycolylneuraminate	1.458730765	1.253865137	0.884354319	0.924281827	1.300779123	0.985326503	0.49260209	1.228182996	1.208491853	0.705261366	0.922845339	0.713145952	0.882247069	1.247732503	0.742432991	1.297693693	1.014673497	0.893697925	0.984943842	1.045855734	1.365814579	0.876692248	1.073864823	1.020532112	1.568785412	0.469547474	1.388591152	0.665718531	1.629928268	1.23195448	1.912585118	0.929519171	0.683546667	0.866636837	1.420295675	0.607872353
4-hydroxybutyrate (GHB)	1.123484469	0.860769961	1.02935738	0.957423613	1.839676194	0.897270804	0.871670675	1.26450012	1.212528662	1.419828948	1.746064554	1.094927897	0.780749057	0.97064262	0.488695041	1.60844888	1.410887815	0.797109731	0.827802252	0.763992434	1.858126831	0.665305793	1.441057738	0.779659263	1.887258495	0.878908618	2.442377622	0.949057252	1.463167518	0.806476368	2.44328902	0.802248215	0.86666268	1.512856	1.237722706	0.802296335
2-methylbutyrylcarnitine (C5)	0.892755784	1.19221546	0.99383799	0.814608427	1.701706411	0.798580422	0.514664017	1.408494464	1.00616201	0.960253153	1.07263207	0.859598136	0.713019003	1.556818623	0.648967494	2.011390252	1.393213208	0.908801436	0.595910417	1.155728592	1.408599055	1.596933928	1.306224253	0.91796226	1.457144483	0.572942833	1.432033123	0.923942449	1.535705985	0.770037909	1.846000577	0.945742753	1.276348003	0.844993827	1.539307114	0.762592527
malonylcarnitine	0.833021103	0.895891452	1.051947471	1.625747822	1.196724653	0.696937993	1.371748115	0.918728346	0.709252778	1.040743011	0.707856222	1.349510965	0.791833276	0.944806598	1.222384838	0.983703207	0.733911917	0.918360879	0.704868173	0.817182996	0.97305231	1.431236885	0.832190455	1.343750074	1.153047014	1.488939837	0.862146541	1.220474803	1.061897118	1.031889973	0.974383024	1.191947128	1.016296793	0.957580298	1.223176926	1.120428279
glutamine_degradant*	1.023685553	0.89947147	1.249492089	0.676269459	0.831862834	1.20538761	0.667808509	1.251410044	0.698035756	1.612751705	1.008620246	0.752090795	2.956075525	1.09715712	0.904613916	1.595626583	1.014304709	1.284892029	1.123365525	0.751484994	1.31681415	0.542626161	1.178389932	0.69464559	0.836504298	0.857624861	1.146830112	0.991379754	1.151149875	0.805477623	1.355214941	0.917660153	1.077517006	0.7934849	0.872294547	0.680330419
2'-deoxyguanosine 5'-monophosphate (dGMP)	0.888516224	1.533472181	1.245679046	0.498444727	0.498444727	1.163903239	0.840947409	0.73374627	1.326922904	1.171431663	0.855544436	0.950348471	0.660562783	1	1.426532507	0.708997142	1.01006194	1.364691244	1.095615482	0.538223653	0.960572701	1.513384364	0.597269932	1.03524384	0.919594637	0.883647544	0.498444727	0.498444727	1.270906025	0.960680894	0.804801962	1.451101314	0.962033305	1.872954478	1.155229775	1.273664945
homostachydrine*	3.633652907	1.637933446	0.753864984	0.116123245	3.141710337	0.10663451	0.172239045	1.081063791	2.599127694	2.065345686	3.392602545	0.14755988	2.186254688	2.841730322	0.770143091	0.937346259	1.513836342	0.177171413	0.06517863	1.972712932	3.37404364	0.500533417	2.465179669	0.138393811	2.924560845	0.15331595	2.59844952	0.529507747	0.932155104	0.577818055	4.582709777	1.062653741	0.816867382	0.300888408	2.804259721	0.228426334
glutarylcarnitine (C5-DC)	0.939779987	0.917978473	0.871173705	0.660482116	2.138518931	0.646964477	1.001607053	1.051251456	0.730990273	1.37596623	1.00570666	1.126423591	0.992038294	0.94345115	1.314344948	1.120194303	0.998392947	0.733520509	0.503206366	0.828355091	1.086799949	1.284832233	0.765001436	0.882472581	0.788083231	0.980063761	1.100671301	1.041984513	1.279426622	1.001963654	1.455569392	1.609878879	1.021626282	0.806767935	1.072541038	0.946724825
beta-hydroxyisovaleroylcarnitine	0.968824995	1.192706489	0.739767409	0.762903402	1.397127673	0.448030073	0.553089921	1.62066457	1.170181341	1.079022331	1.072126321	0.879689836	0.298416202	1.136732484	0.495971355	1.144799308	0.980082522	0.3156656	0.394606881	0.888724951	1.302312059	1.069912966	2.068549679	0.751798127	1.938360793	0.604173032	1.116987647	0.415795118	1.113103549	1.14265027	1.274690624	0.68787691	1.019917478	0.592470736	1.271180029	0.896118692
2-methylmalonylcarnitine (C4-DC)	1.033259561	0.954741065	1.447246563	1.154390335	1.265919803	0.927945943	1.004873133	1.13795795	0.90568077	1.048848549	0.971770328	1.16197153	0.715729469	0.729171187	0.664942913	1.223953044	0.995126867	1.118661918	0.870145677	0.719020127	1.103207333	1.027151207	1.51510164	0.929152462	1.035777887	0.799034163	1.250734575	0.824498782	0.938571414	1.185244999	0.85793304	0.848008698	1.14236364	0.728245202	1.359719844	0.993463669
tiglylcarnitine (C5:1-DC)	1.013486446	1.385548811	0.725262145	0.692658715	1.494359545	0.786752419	0.613366341	1.370164725	0.856875135	1.135445192	0.831383323	0.861204257	0.406751151	1.529945861	0.774455334	1.29259171	1.127051861	0.684779713	0.655922422	0.7422043	1.047889368	1.404653841	1.45007346	0.712960665	1.113402326	0.516357041	1.119241437	0.688184065	1.301195736	1.073598506	1.875117853	1.110664879	0.986513554	0.81967604	1.324814214	0.780930016
N-acetyl-aspartyl-glutamate (NAAG)	0.808495738	0.8569549	0.812536896	0.468270718	0.979169159	0.421567114	1.343179082	1.161942418	0.549247715	1.396748168	0.723235472	1.751809092	1.113764917	1.043891337	1.046395417	0.911620726	1.183742192	1.086263924	0.420528731	0.841785729	1.606544466	0.441370666	0.865637672	0.519175602	1.385947152	0.884044012	1.333039776	1.153594841	1.129156426	0.872436115	0.725170443	1.200962566	1.475791158	1.020830841	1.137288417	0.956934354
glycerophosphoglycerol	1.02677204	1.018565945	0.998461036	0.791569673	1.206152725	0.69513205	0.958204015	1.1150718	1.04934476	1.230826624	1.001538964	1.094181286	1.028925095	1.08381349	1.018760594	1.262756508	0.899274962	0.691909713	0.669000505	0.702074213	0.934601503	0.928111963	0.844120414	0.82504927	1.335060248	1.008509635	1.024159353	0.949926884	1.265682549	0.900228812	1.236788767	1.221903623	0.816023921	0.615090728	0.955664	0.891745582
glycerophosphoethanolamine	1.342862448	1.394014225	1.010738465	0.752409901	1.509478786	0.78772238	0.846569026	1.200226283	1.095376806	1.11543978	1.157347859	0.741371377	0.616796817	1.102362926	0.709752406	1.306339133	1.15128694	0.793908883	0.778034519	0.989261535	1.121310723	1.058766711	0.957912665	0.759382893	1.441254759	0.720966799	1.26414604	0.778115946	1.311058744	0.922626493	1.274343278	0.85737814	0.984121536	0.697439005	1.417509663	0.64848181
glycerophosphoinositol*	1.103669986	0.803925168	0.763516583	0.863833515	1.408143072	0.805392611	0.848930928	1.140271887	0.928839049	1.160975833	0.967280895	1.327146816	0.78959996	1.229901951	0.919852081	1.114138724	1.142212479	0.759812696	0.775963522	0.920596727	1.110133612	0.871147448	1.032719105	0.872565462	2.207661613	1.055730056	1.082165161	1.046835497	1.074100135	0.864631887	1.41065961	1.24138719	0.962790097	0.804857139	1.266944049	0.820904811
deoxycarnitine	1.149596969	1.060846216	0.883120743	0.9437093	1.004432144	0.984314178	0.792409302	1.354066836	1.186612102	1.242183568	0.96950232	1.017306854	0.817074828	1.14867379	0.975918326	1.145731112	1.214765158	0.903386458	0.950298897	0.87215391	1.367399604	0.952404781	1.106018482	0.883472813	0.981398308	0.78079428	1.216209386	1.001190997	1.026420446	0.998809003	1.087476624	1.059122898	0.979000736	0.942780605	1.016401842	0.702281064
tryptophan betaine	4.337842984	0.24007854	0.24007854	0.24007854	0.24007854	0.24007854	0.24007854	0.24007854	1.301934391	1.300170113	1.372643533	0.24007854	0.24007854	1.012032898	0.24007854	0.587309307	0.24007854	0.24007854	0.24007854	0.592335221	0.24007854	0.24007854	0.24007854	0.24007854	0.352660317	0.24007854	0.987967102	0.24007854	0.24007854	0.24007854	1.251683063	0.24007854	0.24007854	0.24007854	0.472006245	0.24007854
N6-carboxymethyllysine	1.090879758	1.000900639	1.08833396	0.915126706	1.124666143	0.65674895	0.685220082	1.239888003	0.974509554	1.151536006	1.039977827	0.787907349	0.493522875	1.239301205	0.697963301	1.305230219	1.285987129	0.785061739	0.509288265	0.727610635	1.34942185	0.999099361	1.12225021	0.891353365	1.069787292	0.678944669	1.308306099	0.652011878	1.331380813	0.814457559	1.30708701	0.892944213	1.074746618	0.817569113	1.218667074	0.771399243
glycylisoleucine	0.802525962	0.839417281	0.91817645	1.632598652	1.295275998	1.287241091	1.400855998	0.971570586	0.84981936	1.095048488	0.768084546	1.154299172	0.751571721	0.688534762	1.066479633	1.005143328	0.68136853	1.447681032	1.200157456	0.60879016	1.091326931	1.09308096	0.956473528	1.277726367	1.027078364	0.731489457	0.994856672	1.129890882	0.822515487	1.794282893	0.972587376	1.296940624	0.875108334	1.167223877	0.924820944	0.942963035
methylphosphate	1.381878724	0.893132106	1.865506912	1.287658551	1.181098561	1.240149424	1.055611976	0.930688874	0.85657381	1.263458774	0.995943754	0.945802203	0.620804089	0.93069837	1.244768619	1.282430428	1.657022697	1.501205284	1.434510061	0.997924904	1.290988375	0.978401978	0.939561751	0.749048295	0.900006197	0.638908572	1.449583661	1.281872081	0.770686482	0.564730135	1.17314431	0.833113973	1.271241122	0.626118939	1.002075096	0.85488414
dimethylarginine (SDMA + ADMA)	1.343927855	0.732237929	0.610164512	1.089163736	1.250917362	0.740149509	0.887333759	1.324799649	1.714229731	0.986767197	1.872110341	0.642953121	0.615164848	1.168848934	0.560633335	1.458703934	1.38529285	0.670723004	0.775844092	1.091010892	1.581765574	0.534533546	1.047064841	0.70473549	1.266139785	1.013232803	1.460989211	0.622605714	1.160620148	0.658924868	0.954756214	0.582064407	1.383162127	0.595087711	1.262728724	0.441640618
N-methylalanine	0.882107901	0.986792959	1.790903659	2.233623541	0.948716784	1.220547139	0.871415946	0.716215602	0.828479997	0.872940447	1.176643326	1.21793663	0.350464848	0.727185876	0.781455615	0.868266976	1.25561748	0.83148924	0.934606629	1.013207041	1.108341815	1.017763505	1.519468628	1.838098441	1.163152287	0.737040605	1.095658466	0.724126649	0.584591634	1.890238195	1.05109805	0.930271684	0.653261205	1.092737831	1.36795685	1.068813843
alanylleucine	0.988012204	1.564555762	1.837298526	2.161069662	0.894239917	1.11655158	0.713066026	1.026758348	0.910114378	0.811908827	1.176471542	0.510664109	0.397844894	0.913424207	0.783900577	0.899140931	0.680658833	1.663636541	0.978834732	0.764847343	1.225466849	1.518305029	1.060983871	1.839049913	0.834124584	0.444341811	1.302831032	1.011987796	0.974191343	1.652655292	1.086563626	1.021157062	0.939327114	1.245335484	1.102388041	0.979926272
succinylcarnitine (C4-DC)	0.829491376	1.068989763	1.65421984	1.95006612	0.91561962	1.15737944	1.005189114	1.517587106	1.408612178	0.40245288	1.988351827	0.553518002	0.721122205	0.910807428	0.423946742	1.889948134	0.911363909	1.771139776	0.990675213	1.406087834	1.449641944	1.202893252	0.750371392	1.447624133	0.859629449	0.601886541	1.65697314	0.646118419	0.994810886	0.868490459	0.650526873	0.46835674	2.214168409	0.96002878	1.320971052	1.739758978
O-methyltyrosine	1.125496501	1.260290361	1.551854953	1.927930606	0.298107706	1.05129126	1.484221367	1.083243349	0.538523744	0.338091818	0.730519311	0.298107706	0.389192802	0.528151326	0.74369592	1.440881263	1.299541911	2.112203348	1	1.019940919	0.852174616	0.700826749	1.269033541	1.342151831	0.298107706	0.533911931	1.305809125	0.808263684	0.298107706	0.298107706	1.295084697	0.538959	0.785651766	0.591132665	0.298107706	0.747230296
5-methylthioribose**	1.128215603	1.376754705	1.302724049	0.661545384	0.910090407	0.524004902	0.621984216	1.50519529	0.700277674	2.01729987	1.109062598	1.232559516	0.558657928	0.675233714	0.888977697	1.534265229	1.50732669	0.830458902	0.313499464	0.945714404	0.313499464	0.313499464	1.644304719	0.762952701	1.513649846	0.636377092	1	1.23153526	1.435895159	1.289124527	1.256833804	0.973037779	1.111916307	0.693279575	0.826178339	0.313499464
cysteine sulfinic acid	1.133925272	0.560927563	1.15751283	1.59425222	1.143778058	1.011964098	0.895414566	1.009958834	0.827502322	1.071919558	0.45272687	1.076341422	0.983514418	0.837088383	0.919689827	1.002075962	0.962070306	1.213351715	1.426825545	0.755563482	0.859499777	1.769446078	0.813410844	0.997924038	1.156918321	0.766640637	0.960508514	1.298041976	1.030657399	0.869651425	1.550377433	0.779854811	0.700232341	0.849007491	1.243674903	1.116938373
ergothioneine	2.070833608	1.087230566	0.407713248	2.555515396	0.2102123	0.435172293	0.287342678	0.056037837	1.531743735	0.626040612	0.935977335	0.744224827	0.520774174	3.182850151	0.949152405	1.05453106	0.733260026	0.401039972	0.366741389	1.201965054	1.15818225	1.626696602	1.271695147	2.207731636	1.207955581	0.338122418	1.442988008	0.543406809	0.502816145	0.988125188	2.161228435	1.042221935	1.011874812	0.498682562	2.605233624	1.082454072
S-methylmethionine	1.362498768	2.06378524	0.736634359	0.612167032	1.659216193	0.401239365	0.632166444	1.252958611	1.213562124	1.08478839	1.383168287	0.65160001	0.261876621	1.413752445	0.741390504	1.526709483	4.181102235	0.368896059	0.292220034	0.91521161	1.53247221	0.900183971	1.106509512	0.711112017	1.261833021	0.716497039	1.325279416	0.688929308	1.285604745	0.807379893	1.769445413	0.871423413	1.284949804	0.415007829	1.602375608	0.364839402
piperidine	0.595993977	0.661588501	5.496607587	0.783950854	0.431357544	1.698739101	0.92821024	0.856592457	0.552930163	8.916487734	0.793166642	1.614437275	0.681851129	1.001938297	1.185378955	0.729716684	0.681878071	1.883045773	1.415291848	0.649989862	1.025922161	4.044022203	0.673357893	0.597872265	0.386290526	1.011194674	0.691089661	0.998061703	1.032670771	1.711054345	1.335918429	1.225132671	1.084100805	1.410872902	0.706589037	1.159143454
5-(galactosylhydroxy)-L-lysine	0.919677833	0.917080404	1.02218118	1.197387812	0.961990957	1.037711336	1.203588053	1.282907493	0.931774199	0.869453904	1.018563199	1.009077865	0.580165105	0.89443953	0.774737838	1.337233489	1.065910131	1.095046608	0.885443441	0.84653393	1.433832894	1.103234323	0.879876295	1.265204891	0.982326324	0.8740485	1.046156261	0.778021523	0.988746563	1.010355939	0.702947062	1.043553673	1.15085973	1.447775073	0.976178775	0.990922135
formiminoglutamate	1	1.271233934	1.60419227	1.470937324	0.897727378	1.460311117	0.939576153	0.656653392	0.503629081	1.00462471	0.489177439	1.171768016	0.81160197	0.433729429	0.700317862	1.196575589	1.0462009	1.656399287	1.005356994	0.640023378	0.943637212	1.394710459	0.751605481	1.141372444	0.85320126	0.433729429	0.794923445	0.966284893	1.658836384	1.149813348	0.909596389	1.463919407	1.199534757	1.660834573	0.660587398	0.923583711
4-hydroxyglutamate	1.599308398	1.108870608	1.054790561	1.538285313	1.133865543	0.762415745	0.818581405	1.057043671	0.98883981	0.556453378	1.376742176	1.105050587	0.680190731	1.55446232	0.467528468	1.01116019	1.546789858	1.053537032	0.651024571	0.794137591	1.116634923	0.821742243	0.664424363	0.928692034	1.032859208	0.753306047	1.409220462	0.562153692	0.955556456	0.388842512	1.342853669	0.666461347	1.243862706	0.866415421	1.159627724	0.730575029
S-methylcysteine	0.759445233	0.646842125	1.138586727	1.36755053	0.617218987	1.091739459	1.259785829	0.62210025	0.87815442	1.229357218	0.672702962	1.523244604	0.833365511	0.734488223	1.128348288	0.735091631	0.999580229	1.323633091	1.038422911	0.837584225	0.726893552	1.138785363	0.94704494	1.395332801	0.585194217	1.518284915	0.86672545	1.144247106	0.720981395	1.29615938	0.635769715	1.146821233	0.687315252	1.245498813	1.01967569	1.000419771
nicotinamide N-oxide	1.074707501	0.712185977	1.333442153	1.360146686	0.650940897	1.311048679	1.52538593	1.123764451	0.357107915	0.651287384	0.988579448	0.921242807	0.548207506	0.677332992	1.108849488	1.183880945	0.785164549	1.495900488	1.090926297	0.726158616	1.196638876	1.23896136	0.866470825	1.494569618	0.870370305	0.92089632	0.582570803	0.40863033	1.016600832	1.098214541	0.790329809	1.011420552	1.389129421	1.076614181	0.805712429	0.670286087
argininate*	1.480151331	1.229361359	0.880165294	0.577076472	1.131894895	0.471615991	0.577349218	1.17100897	1.108994187	0.493850336	2.802306795	0.557804554	0.441743215	1.803546523	0.722546634	1.532353795	1.478669076	0.804198298	0.423588328	1.207309106	0.891005813	1.215519078	1.50700906	0.758459143	1.467812405	0.556598431	2.189636407	0.886230034	1.223397432	0.854798416	1.441970633	0.850411827	1.125380267	0.754311434	1.374163073	0.790349244
2-oxoarginine*	2.107583425	1.04635736	1.021426952	1.538587714	1.293426797	0.776495675	0.508096738	1.021162576	0.98161433	0.279300081	3.733050304	0.585981349	0.368313545	3.698469228	0.456136356	1.793190886	2.128633112	0.606957705	0.530283046	1.065840091	1.016280315	1.289746769	0.946788176	0.816688457	1.125440344	0.473349704	1.604008086	0.863816751	0.983719685	0.964970258	1.102729145	0.894306762	1.410253714	0.862861526	1.503223161	0.52099903
1-methyl-5-imidazoleacetate	3.632748358	1.690376149	2.893749476	0.939458075	0.730548238	1.410456372	0.487733261	0.588680822	0.443579098	0.825482495	1.996304143	0.603246644	1.913855965	0.988774518	0.636109488	0.735709826	1.666891897	2.03188777	0.802836794	0.958316441	0.983105643	1.450347097	1.167849992	1.066016756	0.758081786	0.558231061	1.177725478	0.653062059	1.084988084	1.011225482	5.305031924	1.042183224	1.187326529	0.703100625	1.150852376	0.621605345
S-methylcysteine sulfoxide	0.426116195	0.760027205	1.142641261	1.630375484	0.814605822	1.386223777	1.370888373	0.744655431	0.306358928	1.592061523	0.740156464	1.975284777	0.672084582	0.636060112	1.615276485	0.716579621	1.182426387	1.75235132	1.214704748	0.644177893	1.028364951	1.347775248	0.849050016	1.674226774	0.642210277	1.172270069	0.717554337	1.595371192	0.952913599	1.54486965	0.604794655	1.743749818	0.914563269	1.763369606	0.600888519	0.971635049
N-methyl-GABA	1.170956701	0.456519038	1.878966523	0.968789552	1.418144507	1.165646495	0.488408422	0.573197174	1.485200768	1.125846715	2.664824604	1.315954128	0.594019057	1.026132783	1.660098546	0.200886208	0.941881657	0.826176243	0.227484362	0.815947069	2.401915718	1.076215531	1.586322696	0.316063887	2.77630876	0.505076893	0.509162817	1.474876536	0.662113157	0.909687456	0.446042733	1.139912758	1.611789074	0.973867217	2.313233439	0.219223948
leucylglutamine*	0.874442975	1.370154082	3.054387052	3.057054256	0.977952203	1.217356452	0.890747683	0.603182211	0.502702151	0.671553341	0.61222481	0.426752215	0.608447992	0.660092514	1.0929257	1.022047797	1.416215041	2.787100295	1.440025582	0.80757819	1.094002359	1.144181458	0.952427083	2.017535823	0.741547427	0.407125001	1.256854242	1.1194297	0.554601442	1.20196417	0.953744388	0.734402834	1.445461571	1.035706668	0.865934541	1.455860225
leucylglycine	0.684554904	1.06963778	5.166077005	5.528294671	0.810110036	2.083543145	1.063396844	0.439268845	0.44830731	0.580657418	0.587078858	0.720067279	1.021669238	0.518185505	1.563090398	0.737561699	1.546664849	4.535209101	2.407201097	0.717429755	0.978330762	2.121317882	0.971175591	3.410484458	0.638035927	0.474971242	0.942463479	1.276570415	0.361877238	1.312172188	0.676618498	1.040193646	1.453229932	1.723960888	0.698236693	1.744536975
valylleucine	0.970836303	2.078634044	2.688365905	3.852141749	0.910384592	1.263258068	0.674991479	0.743149486	0.806547795	0.608295601	1.202022347	0.396105113	0.446946584	1.029163697	0.95038591	0.88264947	1.202229763	2.395795522	1.222143782	0.829108062	1.150288979	1.314331105	0.785161151	2.684490674	0.546915163	0.307958221	1.119355721	1.205400775	0.581741904	1.377436124	0.729162055	0.774079678	1.290556624	1.036694947	0.932186904	1.332927527
carboxyethyl-GABA	8.506405088	0.973246383	1.108549394	0.325301032	1.096126535	0.836193269	0.500299813	1.174456536	0.727359841	0.325301032	1.430683028	0.325301032	0.325301032	2.016594415	0.898118209	1.026753617	0.94522179	0.325301032	0.325301032	1.377634837	0.325301032	0.325301032	0.662680641	0.325301032	1.394051373	0.325301032	0.621401172	0.325301032	0.867104097	0.325301032	0.325301032	0.325301032	1.202733603	0.807285017	1.134422222	0.325301032
trimethylamine N-oxide	2.306168522	1.810873654	1.987588241	1.863663884	0.846492245	0.431748209	0.840688927	2.970175066	0.836383135	1.696530247	0.853242387	1.374400989	0.630912815	0.705251327	0.714948215	1.003577962	0.996422038	0.431748209	0.431748209	0.661014711	0.794877493	1.869312619	0.431748209	1.509838589	1.253648812	0.752663343	1.105683516	0.653581826	1.312474236	0.825613825	1.711399237	0.822660638	3.502747076	1.190775236	0.713988509	0.431748209
N6-methyllysine	1.034511299	1.112966603	0.997061038	0.709167904	1.73586744	1.035022704	0.949673025	1.294076265	0.647043322	1.260327943	1.845045403	0.839441604	0.411463088	1.644104578	0.497712657	1.145369708	0.645762826	0.813818648	0.846953404	1.328882392	1.21979382	0.813413535	0.977514568	0.765561937	1.275063751	1.230306666	2.481543927	1.950454044	0.817713988	0.92206466	0.897420063	0.608919285	1.244211163	0.471722518	1.002938962	1.032467799
imidazole propionate	1.098856588	0.827261789	4.648402096	2.453719387	0.681617698	1.706289928	1.370412575	0.248565108	0.612036484	1.434650107	0.9304902	1.716076848	1.331460508	0.439914613	2.074300796	0.39434116	0.732267805	3.469809431	1	0.507511741	0.650317873	1.672489036	0.699472928	2.192898894	0.818747914	1.196019406	0.418367553	1.052916748	0.248565108	1.699845527	1.347718222	2.418903163	0.400770037	0.99440326	0.903115079	0.553330487
phenylalanylglycine	1.02588092	0.921663195	2.017830043	3.670240069	0.79650472	1.475477215	0.939927387	0.704835855	0.766009038	0.863223437	1.198512964	0.376529189	0.732618306	0.737616224	1.133233329	0.939340732	0.913785761	2.014990512	1.936448992	1.190571638	0.976692772	1.656713223	0.883254553	2.318345072	0.600258409	0.648297696	1.172992507	1.383697517	0.676053199	1.342260096	1.023307228	0.74111988	1.329526444	1.685316425	0.905298101	1.691701351
tryptophylglycine	0.820420563	1.107461686	1.553109248	1.671505066	1	1.276469765	0.608354831	1.216527214	0.903743996	0.740470291	1.127233923	0.611076696	0.366921386	0.807275844	0.385548022	0.834717249	0.387828618	1.522882334	0.863147265	0.683707846	1.005713158	1.651546138	0.800966548	1.727626822	0.922188184	0.417735188	1.515894163	0.366921386	1.250736155	1.215808031	1.337074218	1.210703739	0.950656387	1.566145771	1.020866924	0.657541454
valylglutamine	0.930097965	0.867418371	1.50818667	1.933060303	0.826912726	1.674632723	0.835446081	0.844461987	0.858975832	0.826520706	1.160329197	0.840639881	0.797491692	0.925890838	0.945560076	1.006024526	1.035136504	2.122248944	1.471960711	0.911485499	1.216945243	1.243482503	0.884954198	1.468406983	0.947456702	0.688337505	1.265159522	1.154348991	0.829587246	1.454312499	1.092357797	1.025442034	1.463967993	1.326190246	0.952504914	0.993975474
valylglycine	0.923633837	0.88222451	1.905432042	2.42628643	1.073481458	1.497209852	0.885764791	0.805193101	0.709478504	0.68714174	0.84106785	0.727099122	0.738925176	0.766389618	0.781799403	0.816009271	0.999182333	1.85959102	1.331472692	0.736335403	1.017049352	1.683904568	0.94985413	1.823976955	1.055344719	0.600130711	1.108992223	1.000817667	0.901482143	1.344453616	1.13199727	1.065945502	1.150954299	1.608397946	0.883935706	1.168337171
prolylglycine	1.83327221	0.990292571	0.859935634	0.910527092	1.713535798	0.793500945	0.604956619	0.964258585	1.154245661	0.642211502	1.316530832	1.140543077	0.58829748	1.592535241	0.649194499	1.009707429	1.953425869	0.942106873	0.634241282	0.780365443	1.408763203	0.965367546	1.129623833	0.945438035	1.823367729	0.561866338	1.394159509	0.935365768	1.211938209	0.786873533	2.205563726	1.170115244	1.148651679	1.112362303	1.01306213	0.62307115
(R)-3-hydroxybutyrylcarnitine	1.20602899	1.333328413	1.163117381	0.614629112	1.133510384	0.802617182	0.933326704	0.743635764	0.598331204	1.337401236	0.551742809	1.276336271	0.538991201	0.97521288	1.262978089	0.771587474	1.245481163	0.582351328	0.658912728	0.617217982	0.977942224	1.768869497	1.599619434	0.870727676	1.432951943	0.984027755	1.137790213	1.232322112	1.131855026	1.232261525	1.749999062	1.557722074	0.495071184	0.884790869	1.015972245	0.818051285
N-acetylcarnosine	1.230965364	0.996169879	1.490711393	1.006855059	0.848928463	0.823348022	0.881333914	0.942467774	1.003830121	0.911509781	1.191607242	1.240058511	0.427377714	1.038531962	0.74609067	1.0075391	1.0048842	1.108976022	0.840937493	0.65922962	1.222343174	1.124996421	1.058633552	1.122999104	1.152955651	0.765675284	1.119387925	0.954106397	1.150240936	0.965850948	0.896772136	1.138280466	0.822374168	0.878917327	0.968886564	0.802245269
histidine betaine (hercynine)*	2.20215833	0.885512777	0.078965212	2.212503436	0.078965212	0.17643083	0.078965212	0.078965212	1.320279043	0.607635574	0.673314552	0.537527562	0.382345341	2.454415551	0.732377727	1.015643385	0.730752389	0.078965212	0.078965212	0.984356615	1.144183772	1.6515535	1.286828481	1.593859008	1.158537378	0.078965212	1.563843375	0.347404706	0.606077435	0.828172053	3.345709569	0.782448437	1.204083676	0.361434459	2.895524925	1.150351297
2,8-quinolinediol	0.381397353	0.381397353	1.007919084	1.141390522	0.381397353	1.008285181	2.058696091	0.381397353	0.381397353	2.177019143	0.381397353	1.000769027	0.381397353	0.381397353	0.593316271	0.381397353	0.381397353	0.529735908	0.543864133	0.381397353	0.381397353	0.535039852	0.381397353	1.419503827	0.381397353	1.544664413	0.381397353	0.533155791	0.381397353	0.999230973	0.381397353	0.646094536	0.381397353	0.496782698	0.381397353	2.265172663
dimethyl sulfone	0.796000605	0.955013644	0.830134587	0.913527325	1.159594991	0.758120239	0.601191036	0.435300502	0.63991041	0.878311557	1.024400287	1.080289	0.559684485	1.340379422	0.502080861	0.480510594	1.478087583	1.241276389	0.94187869	1.252114481	1.498919999	1.070186379	0.911987357	0.285188099	1.365391413	0.975599713	1.817836261	1.200595756	1.514830229	1.028598903	1.116347347	0.355645817	1.182939673	1.032954609	1.54255799	0.884741579
o-Tyrosine	0.724049291	1.234701724	1.046561238	1.777991826	0.930101693	0.84422147	0.295046295	0.703379044	0.789993713	0.295046295	1.140021225	0.621545402	0.941827866	1.090381971	0.295046295	1.341740636	1.239540983	1.211381293	0.295046295	0.295046295	1.28874884	1.24508379	1.107773358	1	0.295046295	0.45370081	1.193919789	0.672413486	0.640017066	0.658184493	0.295046295	0.830195698	1.311210041	1.520130109	0.490136681	0.295046295
2-aminoheptanoate	0.846279589	0.665224706	1.272870563	3.202766573	1.005497206	0.930985059	0.385696439	1.154787809	0.736097309	1.257916171	1.179809947	1.352821459	0.316278788	0.713928781	0.44516759	0.316278788	1.167436362	1.026762884	0.822640954	0.316278788	1	1.508278285	0.547209069	3.269880551	1.091278734	0.524412661	0.44345066	0.430070301	0.513084822	1.279980774	1.454141957	0.964505241	1.061491196	1.809195641	0.884723224	0.316278788
benzoylcarnitine*	2.860952222	2.173357257	0.247459465	0.523320012	3.034460284	0.134180882	0.216523499	2.875909789	2.413862356	0.385709016	3.139770468	0.491304276	0.074012472	3.734037117	0.22665757	3.60100014	2.394149031	0.136242684	0.067986137	1.385154531	2.400519511	0.382955991	3.205736138	0.614845469	1.826055124	0.382281568	3.057344382	0.315488804	3.267047519	0.243137987	2.968860227	0.477079934	2.646140248	0.22016522	2.711641902	0.18703478
methionine sulfone	1.272900574	1.813447881	0.731791604	0.361216839	1.493078419	0.370812196	0.348151223	1.850039983	1.82579546	0.837683421	1.652494306	0.499718024	0.590612518	1.696352238	0.315908064	3.341148519	2.417384822	0.414922587	0.312434869	1.162316579	1.82352298	0.535271441	1.607293969	0.398291576	1.646104656	0.432372947	2.232069866	0.368898713	3.795130842	0.373696434	3.292156455	0.62204151	3.078252739	0.580677079	1.594201406	0.418884723
fructosyllysine	1.063908969	0.813792824	1.627149161	1.138150911	1.077473837	1.047117857	0.708739251	0.955306822	1.064386567	0.79337747	1.083455442	0.505413966	0.457492661	0.914223719	0.522501858	2.617688017	1.10293591	0.880182896	0.649016882	0.82079514	1.077342481	1.910831315	0.831259387	0.92389459	0.845530498	0.841285345	1.222155607	0.613885412	1.144977812	1.39175339	1.044693178	0.952092862	2.753337352	1.27226574	2.438104568	0.858040097
N-methylpipecolate	6.219999685	0.347604759	1.13226246	0.555986084	1.53264649	0.613911515	0.517316299	1.000851541	3.161288671	0.999148459	2.329381791	0.346598662	0.59248321	8.053789798	0.56885173	1.658158644	1.100643233	0.409809058	0.555491403	3.30785652	1.54306088	0.36040494	4.842139641	0.346598662	2.445647102	0.436837349	2.498740409	0.41051244	0.580534078	0.682689411	4.390888122	0.439656785	1.263850086	0.346598662	3.360180487	0.788816467
O-sulfo-L-tyrosine	1.162903504	1.043034062	1.10827439	0.986760648	1.296431596	1.039701614	0.835556335	0.933090708	1.550168952	0.582613724	1.433884082	0.584948629	0.725322488	1.077942543	0.640454704	1.106564318	1.400181421	0.67917796	0.779392541	1.156096104	1.473867968	0.703551961	0.957130368	1.013239352	1.172221202	0.520886716	1.132516847	0.363631381	1.164893107	0.63335681	1.021543066	0.780828563	0.931139472	0.985867245	1.718632929	0.520431793
N-acetylmethionine sulfoxide	1.167242644	1.532109758	0.769294955	0.773144487	1.239138235	0.69740817	0.751786955	1.330858683	0.821923885	0.719379607	0.930055129	0.616327836	0.541124503	1.036744258	0.7493483	1.26178327	1.094136578	0.945153117	0.711905694	1.031466701	1.150702356	1.049338985	1.370178225	1.005347447	1.396150932	0.425731149	1.348876679	0.653811783	1.499011756	0.955840133	1.680218477	0.994652553	1.111503408	0.844052066	1.160326927	0.692049878
methyl glucopyranoside (alpha + beta)	0.975439925	1.926147341	2.9508999	1.486285961	1.185238772	0.580932438	0.6419641	0.696242805	0.997851404	0.369086851	1.056223589	0.399691706	0.377094159	1.184343724	0.741649631	0.828801286	1.636864093	1.873201584	1.102063502	0.442158348	1.242579566	2.386708703	1.175916161	1.240866464	0.38126784	0.424915047	1.277887431	0.30104719	1.511589504	1.091205836	0.804153791	0.522568273	1.191030917	1.002148596	0.573662982	0.714673087
phenylacetylcarnitine	1.092945862	1.556665952	0.312573364	1.583938403	2.251860397	0.270001785	0.626814018	2.044028501	0.89863045	0.82504606	1.402361414	1.012177758	0.17096697	1.200120817	0.429628531	1.904708736	1.420961424	0.105776458	0.203194032	0.96307979	1.73411654	0.421732856	2.194742229	1.364087023	0.987822242	0.737143594	1.229108214	0.747863183	2.233475641	0.298519195	1.050187345	0.55595783	1.395027851	0.362975912	1.69462032	0.408904105
adipoylcarnitine (C6-DC)	1.188162097	1.779065725	2.028899396	1.166948174	1.433753842	0.965760907	0.804258666	1.176905379	0.929291932	0.684609095	1.016029823	0.441198942	0.792289417	1.060070523	0.294649142	1.212547001	1.582911251	0.841322133	0.413588328	0.902592372	1.244255747	1.643509735	0.929941152	1.267949582	0.772502704	0.335483449	1.487059604	0.510882209	1.609420875	0.620960888	1.472918419	0.487625122	0.818724997	1.033439641	1.140805547	0.983970177
4-hydroxyphenylacetoylcarnitine	0.715172877	1.108447135	0.822702615	2.096728208	1.056211445	0.698079364	1.10962826	1.21537391	0.562736704	1.815087585	0.92083296	1.84747454	0.301386843	0.75485216	1.020675192	0.853031558	1.011496261	0.376356564	0.542828443	0.51511473	0.756603178	1.160013173	0.891120759	1.840921861	0.884067081	1.106589193	0.948215981	1.270732443	1.272956353	1.620257141	1.352855602	1.245353972	0.810114792	1.001431073	0.855350817	0.998568927
thioproline	0.883616615	0.798532191	0.87519194	1.274819268	1.203675255	1.205753005	0.846284709	0.930042019	0.821802721	1.006870346	0.987575847	1.671988488	0.621516894	0.993415688	1.014269782	0.977392307	0.947409975	1.233545172	0.909432017	0.951364135	1.317276831	1.116272049	1.102080527	1.175775172	1.127367693	1.006584312	0.895030514	1.263514184	0.746949449	0.963649096	1.348577997	1.410691875	0.825043327	1.255721879	1.196597134	0.637329395
(S)-3-hydroxybutyrylcarnitine	1.625263363	1.6748458	2.249455526	2.116364556	1.856355003	0.59274412	0.597005563	0.730459579	0.725691558	1.522185889	0.397050076	1.119491625	0.37940638	1.066959497	1.066503885	1.02095022	1.726179805	0.582626016	0.394340291	0.758455945	1.028937228	0.757835519	3.292664356	0.745473665	2.414248446	0.750911539	0.788704945	0.792088709	1.497319023	0.97904978	3.249280325	1.206808603	0.650381076	0.750503248	1.201502753	0.431255754
methylsuccinoylcarnitine	0.982352912	0.841245563	1.185952675	1.248754709	0.995525375	0.768450242	1.004574942	1.58964359	0.396526314	1.162416619	0.606509198	1.004474625	1.562278157	0.668102477	1.084320608	0.906636018	0.671358438	0.870124418	0.783364006	0.772654878	1.048741581	1.596112167	0.671338622	1.164810599	0.839424999	1.338577879	0.858100025	1.033446365	1.831060311	1.394368883	0.722460561	1.34480619	0.506866128	1.0331739	1.449427947	0.879936887
succinylglutamine	1.324256915	0.785428421	0.639288335	1.020027751	0.956561626	0.610453649	1.13398468	1.392447594	1.214680519	0.765635751	0.986434109	0.882660199	0.690765332	1.437588872	0.834405532	1.186562543	1.67417779	0.869833953	1.431144214	0.858859685	1.697875097	0.988876657	0.597208844	0.881920554	1.022940461	1.370143571	1.143043897	0.77966607	1.418879868	0.390154121	1.011123343	0.78980322	1.628371405	1.334594743	2.47407229	0.758118894
2'-O-methylcytidine	0.688236996	0.667101238	0.896187371	0.667101238	1.114385385	1.11265252	1.008947178	1.164355637	1.143258893	1.193209638	0.667101238	1.782699304	0.667101238	0.742362224	0.991052822	1.021616929	0.740196955	0.667101238	0.884915616	1.354401901	1.837965687	1.078450369	1.288195381	0.667101238	0.72816443	1.3860649	0.84861322	0.775107857	0.786204049	0.865499719	1.815045045	0.667101238	0.894672332	0.667101238	0.87662192	0.667101238
gamma-glutamyl-alpha-lysine	1.884246402	1.184376554	0.295838146	0.651432072	1.504470087	0.516640997	0.340183657	1.402355971	0.989764122	0.96677135	2.063964961	1.104711139	0.496321854	1.471535031	0.698859717	0.724376715	2.022763553	1.009112641	0.295838146	1.590881744	1.811313792	0.714247325	1.398146588	0.880723476	1.175713128	0.394761435	1.225509778	0.887822673	1	0.755474804	1.448859717	0.48287369	1.184679373	0.822185189	1.41269232	0.362705155
glycerophosphoserine*	1.110046472	1.272528067	1.020601463	0.788525429	1.504769367	0.754117562	0.754354854	1.043398386	0.814198677	1.316841412	0.958846493	0.977719479	0.771879314	1.090629672	0.88607641	1.015529878	1.197708783	0.722118237	0.777834444	0.768716476	1.211403743	1.167761862	0.984470122	0.695031235	1.949878783	0.892578955	1.115799124	1.047689266	1.136281541	0.931586223	1.195134976	1.108064897	0.793456159	0.705818657	1.227672911	0.746852318
N,N,N-trimethyl-5-aminovalerate	0.656397713	0.564159977	1.279843428	1.583968852	0.585074887	1.446153754	1.346153173	0.69562408	0.720420802	1.586676742	0.968807864	1.218617582	1.097697954	0.537896036	1.39331056	0.882967522	0.823252606	1.492611035	1.423485452	0.547794347	0.842539141	1.369605715	0.620472849	1.517805552	1.031192136	1.273794685	0.649110501	1.473092013	0.649609737	1.51499257	0.601977551	1.45546683	0.722269145	1.222879831	0.645906006	0.826225801
(N(1) + N(8))-acetylspermidine	0.919521556	1.035189207	0.993772922	0.881326339	1.443320231	0.825739911	0.622909781	1.643406062	1.445069449	0.379259647	1.683245686	0.545881523	0.6089237	1.260708692	0.368141211	1.9289288	1.191914608	0.808717462	0.667156644	1.006227078	1.879673944	1.165765801	1.140297636	0.894897004	1.427665458	0.49740573	1.374465432	0.516301383	1.346880565	0.899467214	1.320155289	0.592296855	1.339771208	0.654699931	1.489131612	0.507170551
butenoylcarnitine (C4:1)	0.159103919	0.159103919	6.829123479	5.47428643	0.284683774	1.297054575	1.289912227	0.440637919	0.159103919	2.101939385	0.183270495	1.540998126	0.412931066	0.665630474	0.948187507	0.653629578	1.020095901	1.415372785	0.771288652	0.159103919	0.159103919	1.768932759	0.802245694	1.212082773	0.159103919	1.275271357	0.159103919	1	0.159103919	1.735576052	0.337826553	1.179335423	0.550391662	1.296969609	0.325000021	0.739305144
isocaproylcarnitine	0.976739747	0.885801742	0.612587888	0.425491857	1.616619483	0.810510227	0.505189558	1.015757005	0.880073849	3.032288689	0.645882468	1.397480628	0.59220582	1.456219349	1.164744814	1.654461394	1.148018756	0.91089563	0.45025685	0.698909356	1.044564023	0.425491857	1.329275469	0.54916301	2.209914226	0.948950706	0.693509033	0.696313294	1.279123289	1.917031807	2.216738657	1.410418885	1	1.301327651	1.185425065	0.699618223
hydroxyasparagine**	0.885761247	0.649280274	1.314473782	1.33470108	1.063196155	1.28077333	1.306774837	0.697695392	0.705753517	1.185075291	1.180218553	1.427603762	0.861063719	0.893136149	1.019036539	0.890485244	0.938228852	1.510457213	0.763015394	0.739641367	1.391264118	1.121551189	1.162837366	1.331866682	0.962344664	1.336075334	0.989896111	0.815646973	0.733289347	0.678967279	0.755082201	1.299013426	0.8582098	1.29143551	1.010103889	0.981966823
3-hydroxybutyroylglycine**	1.224263585	1.009438538	0.833347213	0.784162761	1.129539946	0.631049649	0.826872276	1.135612239	0.90641733	1.276471735	0.951395048	1.037296564	0.498791637	1.175449155	0.822416571	1.318120981	1.11717644	0.774052004	0.908003012	0.829669325	1.263346723	1.033353394	1.075243025	1.217450393	0.990561462	1.123043547	1.269905795	0.916427641	1.234782997	0.85112367	1.438886881	0.892795238	0.906503182	0.812611446	1.141404654	0.823880343
N,N,N-trimethyl-alanylproline betaine (TMAP)	0.834963542	1.398171792	1.068162247	1.077570727	0.82536492	1.407230862	0.824447132	1.179662564	0.830926689	1.091570059	1.106666003	0.796220566	0.91083724	1.045844939	0.736229564	1.164922602	0.876198497	1.624134418	1.184785795	0.799765049	0.887301752	1.172571792	0.962293823	0.974185069	0.913476386	0.624916395	1.139924636	0.8338837	1.042748042	1.109296782	1.025814931	0.900023347	1.183653457	1.690382049	0.868301056	0.951107907
3-formylindole	0.865879769	0.933902292	2.19259413	1.94435729	0.956557974	1.735590181	1.45023412	1.321623521	1.007216359	1.003459932	1.293109687	1.014358872	0.483943955	0.996540068	1.168164286	0.937326102	0.596329057	1.538747725	1.109909706	0.530138763	0.559782115	2.631430139	0.718256495	1.378091486	0.708954314	0.910704412	0.812851395	1.360711322	0.940350229	2.596043041	0.752400162	1.907638985	0.459301941	1.427914507	0.787704414	0.834034586
3-amino-2-piperidone	1.207158995	0.925490375	0.560309209	0.59157242	1.530631637	0.518904811	0.599130745	1.184461248	1.397575298	1.320170971	1.274255379	0.55418997	0.399170487	1.432478464	0.59363298	1.592383054	1.328419822	0.412054679	0.400286348	0.793902506	1.43300444	0.564201867	1.269864661	0.396512695	1.443590796	0.747978099	1.386675266	0.676726068	1.100253034	0.760928405	1.317257538	1.074509625	1.217653525	0.631899157	1.868166039	0.430407987
N,N-dimethylalanine	1.986768024	0.231515023	3.572813098	1.460194188	0.840003763	0.933300144	1.068929689	0.330879095	1.50599553	1.690765481	1.416706701	1.007389135	2.018743335	0.894447287	0.765676998	1.206451267	0.865920339	0.806941575	0.680049665	0.680498984	1.4603414	1.404948557	1.269907288	0.889053925	0.863628966	0.231515023	1.679007084	0.759571964	0.668513419	1.17030087	0.754531263	1.542202385	0.231515023	0.998198307	1.001801693	0.458227819
3-hydroxyhexanoylcarnitine (1)	0.602861092	1.423027813	0.948108353	0.272798862	1.082546389	0.928815369	0.863860144	0.820717455	0.791773251	2.049159163	0.414176537	2.058447335	0.991016083	0.989153085	1.503531115	0.750943449	1.024914091	1.008983917	0.752930055	0.763755855	1.054129949	1.544876566	1.629268271	0.421316609	1.843895165	1.237871625	1.04688658	1.576604693	0.806472608	2.092507326	1.139913336	1.811205355	0.480849514	0.878183357	1.103613011	0.691167672
3-hydroxyhexanoylcarnitine (2)	0.528103217	1.06735564	0.623356087	0.173123753	1.025089341	0.777705566	0.91862931	0.863182578	0.774707572	1.825839718	0.384117352	1.82559825	0.714412976	0.81356666	1.076921975	1.00960541	1.100572701	0.648516807	0.677422038	0.654753243	1.131674871	1.184726707	1.755879299	0.394048135	1.950413569	1.125773696	1.055493059	1.213609164	1.020693966	1.564285249	1.122002755	1.41911572	0.451265567	0.668144278	0.99039459	0.691733873
N-(ADP-ribosyl)-arginine (1)*	0.64956428	1.401589516	1.216915119	0.64956428	1	0.668011095	1.569036075	0.780953657	0.64956428	0.821743955	0.676681424	1.183883782	0.64956428	0.64956428	1.063939381	0.777682782	0.64956428	1.887937957	0.64956428	2.084661089	1.495294648	2.176524976	0.725842376	0.906136217	0.64956428	0.707650285	0.784197208	1.045134718	0.64956428	1.929906686	0.715718618	0.986943826	1.354777495	1.12042212	0.902865342	0.64956428
carboxymethylarginine	1.194076632	0.944165024	1.292737854	0.580742364	1.244917071	0.66737911	0.653730136	1.154324193	0.725096594	2.054653233	1.131262681	1.422344183	0.643712394	1.34295079	0.635108921	1.286023259	1.15860841	0.905670775	0.520524426	0.379642164	1.019879405	1.248930538	1.036442921	0.831437554	0.379642164	0.899236486	1.067964567	0.585332369	1.094979025	1.903081133	1.025823159	0.89715649	0.931519416	0.840114288	0.998582545	1
hydroxy-N6,N6,N6-trimethyllysine*	1.820354431	0.640841115	0.193967462	0.586188264	1.55953872	0.537349852	1.024456346	1.689966623	0.909219152	1.624869219	0.37430086	0.735324088	0.433047607	2.146402433	1.150652326	2.12452773	2.630935183	0.314693519	0.89306382	0.64171566	1.905057027	0.573471151	1.253037983	0.337160706	1.257456253	1.325854311	1.746207346	1.259508005	1.367239692	0.60759687	1.321808548	0.827041427	0.975543654	0.451057628	1.567059656	0.915840506
leucylhydroxyproline*	1.457448836	1.049128548	0.625158733	0.777583146	1.388955392	0.789684333	0.809483938	1.276530636	1.657102354	0.594433583	2.289736798	0.781454841	0.329777142	1.288218528	0.373089582	1.230738427	1.436940419	0.86732594	0.612986879	1.095216273	2.042068273	0.329777142	1.56720966	0.772698558	1.539925778	0.51667848	1.216324503	0.615387416	0.792671619	0.822709372	1.138064024	0.858657456	1.150212322	1.489002717	1	0.43764923
isoleucylhydroxyproline*	1.236665711	0.902246993	0.909292045	0.99284869	1.122384488	0.989521213	1.184331455	0.956019371	1.164718846	0.70017045	1.696186502	1.308475751	0.483287652	1.192843741	0.524597275	1.00715131	1.221280133	1.379386236	0.764862658	1.175443627	1.424981114	0.65968469	1.612795794	1.399170605	1.245882502	0.984642078	1.288976677	0.895268898	0.574995597	0.808606026	0.819715083	1.024271951	0.865190602	1.616769553	0.990147116	0.568058259
1-methyl-5-imidazolelactate	1.056527638	0.951005814	1.394645744	1.548673248	0.822435145	1.207526326	0.996534314	1.003465686	0.778280619	1.117195286	1.028062705	0.978787213	0.98693272	0.852282383	1.078487214	0.917353151	0.89612381	1.655132834	0.948965408	0.755593	0.558638918	1.121330693	0.871536877	1.574482978	0.946912395	1.111121538	1.116834718	1.416598195	0.958706011	1.350689097	1.410163878	1.225712928	1.034821961	0.870233832	0.962489181	0.738873008
3-hydroxyoctanoylcarnitine (1)	0.963408364	1.570449064	2.246405803	2.327333657	1.663014825	0.757375348	0.877054161	0.650297257	0.899558788	4.703228701	0.756286339	2.953425003	0.655602086	0.934065883	2.004580381	0.897516312	1.224485408	0.847529399	0.479925779	0.479925779	1.359017742	0.916875432	3.092776085	0.532548748	4.514521677	2.107970798	0.875717437	2.718339285	1.004720597	1.648759558	2.256604162	1.438300398	0.703102507	0.995279403	0.979813607	0.479925779
3-hydroxyoctanoylcarnitine (2)	0.628006919	1.041244671	0.797337255	0.573066584	1.089906122	0.868473303	1.20227345	0.835000378	1.137244273	2.17798007	0.724185325	3.544993801	1.66374111	0.926031947	1.459166408	0.936333543	0.932689941	0.902681436	0.750846725	0.792662702	1.146036221	0.952774073	1.814503375	0.674212268	2.515221627	1.941202932	1.13698663	2.014194165	0.958755329	1.973351802	1.086831374	1.63857276	0.56256091	1.053935224	0.946782633	0.953182983
N,N-dimethyl-pro-pro	1.197281953	0.995463615	0.446537462	0.565632471	1.44270418	0.761546042	0.43054199	2.060756476	1.530799633	1.2287212	1.151238946	0.496766964	0.476941858	1.691716288	0.375637764	1.884761295	1.534969237	0.760916824	0.649273598	1.004536385	1.590930165	0.617001492	1.314789145	0.439997781	1.315727347	0.703038875	1.685618045	0.475990885	1.356868764	0.631572011	1.492192144	0.438322039	1.745716094	0.733979622	1.734695949	0.465008642
oxindolylalanine	1.099328642	0.832881626	1.609655529	1.693330962	1.359571923	1.275581869	0.822520556	1.498991765	0.772511782	0.817708269	0.867806769	0.48928753	0.60038979	0.948963546	0.844462874	1.25140565	1.083823135	0.906152101	1.308663174	0.723094464	1.003549323	1.246549345	1.276707778	0.996450677	1.176154478	0.960086821	1.30169983	0.537571407	1.370045441	0.636455386	1.057624409	0.690097429	1.276174883	1.141034953	0.717873546	0.705764856

metabolite_name	PLATFORM	KEGG	PUBCHEM	INCHIKEY	SMILES
putrescine	Pos Early	C00134	1045	KIDHWZJUCRJVML-UHFFFAOYSA-N	NCCCCN
spermidine	Pos Early	C00315	1102	ATHGHQPFGPMSJY-UHFFFAOYSA-N	NCCCCNCCCN
5,6-dihydrothymine	Pos Early	C00906	93556	NBAKTGXDIBVZOO-UHFFFAOYSA-N	O=C(NCC1C)NC1=O
guanine	Pos Early	C00242	135398634	UYTPUPDQBNUYGX-UHFFFAOYSA-N	NC(N1)=NC2=C(NC=N2)C1=O
N6,N6,N6-trimethyllysine	Pos Early	C03793	440120	MXNRLFUSFKVQSK-UHFFFAOYSA-N	C[N+](C)(CCCCC(C([O-])=O)N)C
N-acetylputrescine	Pos Early	C02714	122356	KLZGKIDSEJWEDW-UHFFFAOYSA-N	CC(NCCCCN)=O
adenosine 5'-diphosphate (ADP)	Pos Early	C00008	6022	XTWYTFMLZFPYCI-KQYNXXCUSA-N	NC1=NC=NC2=C1N=CN2[C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](COP(OP(O)(O)=O)(O)=O)([H])O3
5-methylthioadenosine (MTA)	Pos Early	C00170	439176	WUUGFSXJNOTRMR-IOSLPCCCSA-N	NC1=NC=NC2=C1N=CN2[C@H]3[C@H](O)[C@H](O)[C@@H](CSC)O3
adenosine 5'-diphosphoribose (ADP-ribose)	Pos Early	C00301	192	SDMADEZQMYCSNO-UHFFFAOYSA-N	NC1=NC=NC2=C1N=CN2C3OC(C(C3O)O)COP(O)(OP(O)(OC4OC(C(C4O)O)CO)=O)=O
AICA ribonucleotide	Pos Early	C04677	65110	NOTGFIUVDGNKRI-UHFFFAOYSA-N	NC(C1=C(N(C2OC(C(C2O)O)COP(O)(O)=O)C=N1)N)=O
arginine	Pos Early	C00062	6322	ODKSFYDXXFIFQN-UHFFFAOYSA-N	N=C(N)NCCCC(N)C(O)=O
argininosuccinate	Pos Early	C03406	60150382	KDZOASGQNOPSCU-UHFFFAOYSA-N	NC(C(O)=O)CCCNC(NC(C(O)=O)CC(O)=O)=N
aspartate	Pos Early	C00049	5960	CKLJMWTZIZZHCS-UHFFFAOYSA-N	NC(C(O)=O)CC(O)=O
beta-alanine	Pos Early	C00099	239	UCMIRNVEIXFBKS-UHFFFAOYSA-N	NCCC(O)=O
carnosine	Pos Early	C00386	439224	CQOVPNPJLQNMDC-ZETCQYMHSA-N	OC([C@H](CC1=CNC=N1)NC(CCN)=O)=O
choline phosphate	Pos Early	C00588	1014	YHHSONZFOIEMCP-UHFFFAOYSA-N	C[N+](C)(CCOP(O)([O-])=O)C
creatinine	Pos Early	C00791	588	DDRJAANPRJIHGJ-UHFFFAOYSA-N	CN(C(N1)=N)CC1=O
cysteinylglycine	Pos Early	C01419	439498	ZUKPVRWZDMRIEO-UHFFFAOYSA-N	NC(C(NCC(O)=O)=O)CS
2'-deoxycytidine 5'-monophosphate	Pos Early	C00239	13945	NCMVOABPESMRCP-UHFFFAOYSA-N	NC1=NC(N(C2CC(C(O2)COP(O)(O)=O)O)C=C1)=O
dihydroxyacetone phosphate (DHAP)	Pos Early	C00111	668	GNGACRATGGDKBX-UHFFFAOYSA-N	OCC(COP(O)(O)=O)=O
homocysteine	Pos Early	C00155	778	FFFHZYDWPBMWHY-UHFFFAOYSA-N	O=C(C(CCS)N)O
gamma-glutamylglutamate	Pos Early	C05282	92865	OWQDWQKWSLFFFR-UHFFFAOYSA-N	O=C(O)C(N)CCC(NC(C(O)=O)CCC(O)=O)=O
glycine	Pos Early	C00037	750	DHMQDGOQFOQNFH-UHFFFAOYSA-N	NCC(O)=O
guanidinoacetate	Pos Early	C00581	763	BPMFZUMJYQTVII-UHFFFAOYSA-N	NC(NCC(O)=O)=N
histamine	Pos Early	C00388	774	NTYJJOPFIAHURM-UHFFFAOYSA-N	NCCC1=CNC=N1
hypotaurine	Pos Early	C00519	107812	VVIUBCNYACGLLV-UHFFFAOYSA-N	NCCS(O)=O
isoleucine	Pos Early	C06418,C00407,C16424	6306	AGPKZVBTJJNPAG-UHFFFAOYSA-N	NC(C(O)=O)C(C)CC
citrulline	Pos Early	C00327	9750	RHGKLRLOHDJJDR-UHFFFAOYSA-N	NC(C(O)=O)CCCNC(N)=O
saccharopine	Pos Early	C00449	160556	ZDGJAHTZVHVLOT-UHFFFAOYSA-N	NC(C(O)=O)CCCCNC(C(O)=O)CCC(O)=O
leucine	Pos Early	C00123	6106	ROHFNLRQFUQHCH-YFKPBYRVSA-N	O=C([C@H](CC(C)C)N)O
lysine	Pos Early	C00739,C00047	5962	KDXKERNSBIXSRK-UHFFFAOYSA-N	NC(C(O)=O)CCCCN
methionine	Pos Early	C00073	6137	FFEARJCKVFRZRR-UHFFFAOYSA-N	CSCCC(N)C(O)=O
nicotinamide	Pos Early	C00153	936	DFPAKSUCGFBDDF-UHFFFAOYSA-N	NC(C1=CN=CC=C1)=O
ornithine	Pos Early	C00077	6262	AHLPHDHHMVZTML-BYPYZUCNSA-N	O=C(O)[C@@H](N)CCCN
glutathione, oxidized (GSSG)	Pos Early	D00031,C00127	65359	YPZRWBKMTBYPTK-BJDJZHNGSA-N	O=C([C@@H](NC(CC[C@@H](C(O)=O)N)=O)CSSC[C@@H](C(NCC(O)=O)=O)NC(CC[C@@H](C(O)=O)N)=O)NCC(O)=O
phenylalanine	Pos Early	C00079	6140	COLNVLDHVKWLRT-UHFFFAOYSA-N	NC(C(O)=O)CC1=CC=CC=C1
proline	Pos Early	C00148,C000763	8988,145742,614	ONIBWKKTOPOVIA-UHFFFAOYSA-N	OC(C1CCCN1)=O
pyridoxal	Pos Early	C00250	1050	RADKZDMFGJYCBB-UHFFFAOYSA-N	OC1=C(C)N=CC(CO)=C1C=O
pyridoxamine phosphate	Pos Early	C00647	1053	ZMJGSOSNSPKHNH-UHFFFAOYSA-N	NCC1=C(COP(O)(O)=O)C=NC(C)=C1O
glutathione, reduced (GSH)	Pos Early	D00014,C00051	124886	RWSXRVCMGQZWBV-WDSKDSINSA-N	O=C(N[C@@H](CS)C(NCC(O)=O)=O)CC[C@@H]([C@@](O)=O)N
serine	Pos Early	C00065	5951	MTCFGRXMJLQNBG-REOHCLBHSA-N	OC([C@@H](N)CO)=O
serotonin	Pos Early	C00780	5202	QZAYGJVTTNCVMB-UHFFFAOYSA-N	NCCC1=CNC(C=C2)=C1C=C2O
spermine	Pos Early	C00750	1103	PFNFFQXMRSDOHW-UHFFFAOYSA-N	NCCCNCCCCNCCCN
taurine	Pos Early	C00245	1123	XOAAWQZATWQOTB-UHFFFAOYSA-N	NCCS(=O)(O)=O
thiamin monophosphate	Pos Early	C01081	1131,3382778	HZSAJDVWZRBGIF-UHFFFAOYSA-N	CC1=NC=C(C[N+]2=CSC(CCOP(O)([O-])=O)=C2C)C(N)=N1
urea	Pos Early	C00086	1176	XSQUKJJJFZCRTK-UHFFFAOYSA-N	O=C(N)N
glutamate	Pos Early	C00025,C00217	33032	WHUUTDBJXJRKMK-VKHMYHEASA-N	O=C(O)[C@@H](N)CCC(O)=O
glutamine	Pos Early	C00064	5961	ZDXPYRJPNDTMRX-VKHMYHEASA-N	OC([C@@H](N)CCC(N)=O)=O
threonine	Pos Early	C00188	6288	AYFVYJQAPQTCCC-GBXIJSLDSA-N	N[C@H](C(O)=O)[C@H](O)C
tryptophan	Pos Early	C00078	6305	QIVBCDIJIAJPQS-VIFPVBQESA-N	O=C(O)[C@@H](N)CC1=CNC2=C1C=CC=C2
valine	Pos Early	C00183	6287	KZSNJWFQEVHDMF-BYPYZUCNSA-N	N[C@H](C(O)=O)C(C)C
nicotinate	Pos Early	C00253	938	PVNIIMVLHYAWGP-UHFFFAOYSA-N	OC(C1=CC=CN=C1)=O
pyridoxamine	Pos Early	C00534	1052	NHZMQXZHNVQTQA-UHFFFAOYSA-N	NCC(C(O)=C(C)N=C1)=C1CO
adenosine	Pos Early	C00212	60961	OIRDTQYFTABQOQ-KQYNXXCUSA-N	NC1=NC=NC2=C1N=CN2[C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](CO)([H])O3
betaine	Pos Early	C00719	247	KWIUHFFTVRNATP-UHFFFAOYSA-N	O=C(C[N+](C)(C)C)[O-]
cysteine	Pos Early	C00097	5862	XUJNEKJLAYXESH-REOHCLBHSA-N	SC[C@H](N)C(O)=O
dimethylglycine	Pos Early	C03626	673	FFDGPVCHZBVARC-UHFFFAOYSA-N	CN(C)CC(O)=O
alanine	Pos Early	C00041	5950	QNAYBMKLOCPYGJ-REOHCLBHSA-N	O=C(O)[C@@H](N)C
tyrosine	Pos Early	C00082	6057	OUYCCCASQSFEME-QMMMGPOBSA-N	N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
pseudouridine	Pos Early	C02067	15047	PTJWIQPHWPFNBW-GBNDHIKLSA-N	O[C@]1([H])[C@@](O)([H])[C@](CO)([H])O[C@]1(C2=CNC(NC2=O)=O)[H]
uracil	Pos Early	C00106	1174	ISAKRJDGNUQOIC-UHFFFAOYSA-N	O=C(NC=C1)NC1=O
cytidine	Pos Early	C00475	6175	UHDGCWIWMRVCDJ-XVFCMESISA-N	OC[C@@H]1[C@H]([C@H]([C@H](N2C(N=C(C=C2)N)=O)O1)O)O
thiamin (Vitamin B1)	Pos Early	DG00125,C00378,D08580	1130	OHQKBYLHTFYNQF-UHFFFAOYSA-N	NC1=C(C[N+]2=CSC(CC[O-])=C2C)C=NC(C)=N1
adenine	Pos Early	C00147	190	GFFGJBXGBJISGV-UHFFFAOYSA-N	NC1=NC=NC2=C1N=CN2
asparagine	Pos Early	C00152	6267	DCXYFEDJOCDNAF-REOHCLBHSA-N	NC(C[C@H](N)C(O)=O)=O
pyridoxine (Vitamin B6)	Pos Early	D08454	1054	LXNHXLLTXMVWPM-UHFFFAOYSA-N	OC1=C(C)N=CC(CO)=C1CO
trans-4-hydroxyproline	Pos Early	C01157	5810	PMMYEEVYMWASQN-DMTCNVIQSA-N	O[C@@H]1C[C@@H](C(O)=O)NC1
sarcosine	Pos Early	C00213	1088	FSYKKLYZXJSNPZ-UHFFFAOYSA-N	CNCC(O)=O
pipecolate	Pos Early			HXEACLLIILLPRG-UHFFFAOYSA-N	OC(C1NCCCC1)=O
3-ureidopropionate	Pos Early	C02642	111	JSJWCHRYRHKBBW-UHFFFAOYSA-N	OC(CCNC(N)=O)=O
4-acetamidobutanoate	Pos Early	C02946	18189	UZTFMUBKZQVKLK-UHFFFAOYSA-N	CC(NCCCC(O)=O)=O
3-aminoisobutyrate	Pos Early	C05145	64956	QCHPKSFMDHPSNR-UHFFFAOYSA-N	O=C(O)C(C)CN
tyramine	Pos Early	C00483	5610	DZGWFCGJZKJUFP-UHFFFAOYSA-N	OC1=CC=C(CCN)C=C1
gamma-glutamylglutamine	Pos Early	C05283	150914	JBFYFLXEJFQWMU-WDSKDSINSA-N	O=C(N)CC[C@@H](C(O)=O)NC(CC[C@@H](C(O)=O)N)=O
N-acetylneuraminate	Pos Early	C00270	439197	SQVRNKJHWKZAKO-UHFFFAOYSA-N	OC1(C(O)=O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1
phenethylamine	Pos Early	C05332	1001	BHHGXPLMPWCGHP-UHFFFAOYSA-N	NCCC1=CC=CC=C1
N-acetylglucosaminylasparagine	Pos Early	C04540	123826	YTTRPBWEMMPYSW-VFFCQLMOSA-N	O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](NC(CC(N)C(O)=O)=O)[C@@H]1NC(C)=O
cytidine 5'-diphosphocholine	Pos Early	C00307	13804	RZZPDXZPRHQOCG-OJAKKHQRSA-N	O[C@]([C@@]1(O)[H])([C@](O[C@](COP(OP(OCC[N+](C)(C)C)(O)=O)([O-])=O)1[H])([H])N2C=CC(N)=NC2=O)[H]
creatine	Pos Early	C00300	586	CVSVTCORWBXHQV-UHFFFAOYSA-N	CN(C(N)=N)CC(O)=O
gamma-glutamylhistidine	Pos Early		7017195	PXVCMZCJAUJLJP-YUMQZZPRSA-N	O=C(O)[C@@H](N)CCC(N[C@@H](CC1=CNC=N1)C(O)=O)=O
N1-methyladenosine	Pos Early	C02494	27476	GFYLSDSUCHVORB-IOSLPCCCSA-N	N=C1C2=C(N([C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](CO)([H])O3)C=N2)N=CN1C
choline	Pos Early	C00114	305	CRBHXDCYXIISFC-UHFFFAOYSA-N	[O-]CC[N+](C)(C)C
S-adenosylmethionine (SAM)	Pos Early	C00019	34755	MEFKEPWMEQBLKI-YDBXVIPQSA-N	NC1=NC=NC2=C1N=CN2[C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](C[S+](CCC(N)C([O-])=O)C)([H])O3
gamma-glutamylleucine	Pos Early		151023	MYFMARDICOWMQP-YUMQZZPRSA-N	CC(C)C[C@@H](C(O)=O)NC(CC[C@@H](C(O)=O)N)=O
nicotinamide adenine dinucleotide (NAD+)	Pos Early	C00003	5892	BAWFJGJZGIEFAR-JTDWVUTFSA-N	NC1=NC=NC2=C1N=CN2[C@@H]3[C@@H](O)[C@@H](O)[C@H](COP(OP(OC[C@@H]4[C@@H](O)[C@@H](O)[C@H]([N+]5=CC(C(N)=O)=CC=C5)O4)([O-])=O)(O)=O)O3
nicotinamide ribonucleotide (NMN)	Pos Early	C00455	14180	DAYLJWODMCOQEW-TURQNECASA-N	O[C@@H]1[C@@H](COP([O-])(O)=O)O[C@@H]([N@@+]2=CC=CC(C(N)=O)=C2)[C@@H]1O
3-methoxytyrosine	Pos Early		9307	PFDUUKDQEHURQC-ZETCQYMHSA-N	COC1=C(O)C=CC(C[C@@H](C(O)=O)N)=C1
S-lactoylglutathione	Pos Early	C03451	440018	VDYDCVUWILIYQF-UHFFFAOYSA-N	NC(CCC(NC(CSC(C(O)C)=O)C(NCC(O)=O)=O)=O)C(O)=O
carnitine	Pos Early	C00487,C00308	288	PHIQHXFUZVPYII-ZCFIWIBFSA-N	[O-]C(C[C@@H](O)C[N+](C)(C)C)=O
methionine sulfoxide	Pos Early	C02989	158980	QEFRNWWLZKMPFJ-YGVKFDHGSA-N	O=C(O)[C@@H](N)CCS(C)=O
anserine	Pos Early	C01262	112072	MYYIAHXIVFADCU-QMMMGPOBSA-N	CN1C=NC=C1C[C@@H]([C@@](O)=O)NC(CCN)=O
5-hydroxylysine	Pos Early	C16741	3032849	YSMODUONRAFBET-AKGZTFGVSA-N	N[C@@H](CCC(O)CN)C(O)=O
4-guanidinobutanoate	Pos Early	C01035	500	TUHVEAJXIMEOSA-UHFFFAOYSA-N	N=C(N)NCCCC(O)=O
cadaverine	Pos Early	C01672	273	VHRGRCVQAFMJIZ-UHFFFAOYSA-N	NCCCCCN
imidazole lactate	Pos Early	C05568	793	ACZFBYCNAVEFLC-UHFFFAOYSA-N	OC(C(O)=O)CC1=CN=CN1
kynurenine	Pos Early	C00328	161166	YGPSJZOEDVAXAB-QMMMGPOBSA-N	N[C@H](C(O)=O)CC(C1=CC=CC=C1N)=O
glycerophosphorylcholine (GPC)	Pos Early	C00670	71920	SUHOQUVVVLNYQR-MRVPVSSYSA-N	O=P(OCC[N+](C)(C)C)([O-])OC[C@H](O)CO
N-acetylglutamate	Pos Early	C00624	70914	RFMMMVDNIPUKGG-YFKPBYRVSA-N	O=C(O)CC[C@@H](C(O)=O)NC(C)=O
5-aminovalerate	Pos Early	C00431	138	JJMDCOVWQOJGCB-UHFFFAOYSA-N	OC(CCCCN)=O
glycylvaline	Pos Early		2724807	STKYPAFSDFAEPH-LURJTMIESA-N	CC(C)[C@@H](C(O)=O)NC(CN)=O
1-methylguanidine	Pos Early	C02294	10111	CHJJGSNFBQVOTG-UHFFFAOYSA-N	N=C(N)NC
hexanoylcarnitine (C6)	Pos Early		6426853	VVPRQWTYSNDTEA-UHFFFAOYSA-N	O=C(CCCCC)OC(CC([O-])=O)C[N+](C)(C)C
acetylcarnitine (C2)	Pos Early	C02571	7045767	RDHQFKQIGNGIED-MRVPVSSYSA-N	C[N+](C)(C)C[C@H](OC(C)=O)CC([O-])=O
homoarginine	Pos Early	C01924	9085	QUOGESRFPZDMMT-YFKPBYRVSA-N	N[C@H](C(O)=O)CCCCNC(N)=N
homocitrulline	Pos Early	C02427	65072	XIGSAGMEBXLVJJ-YFKPBYRVSA-N	N[C@H](C(O)=O)CCCCNC(N)=O
N-acetylglycine	Pos Early		10972	OKJIRPAQVSHGFK-UHFFFAOYSA-N	O=C(O)C(NC(C)=O)[H]
1-methylhistidine	Pos Early	C01152	92105	BRMWTNUJHUMWMS-LURJTMIESA-N	N[C@H](C(O)=O)CC1=CN(C)C=N1
butyrylcarnitine (C4)	Pos Early	C02862	439829	QWYFHHGCZUCMBN-SECBINFHSA-N	CCCC(O[C@H](CC([O-])=O)C[N+](C)(C)C)=O
isobutyrylcarnitine (C4)	Pos Early		168379	LRCNOZRCYBNMEP-VIFPVBQESA-N	CC(C)C(O[C@@H](CC([O-])=O)C[N+](C)(C)C)=O
trigonelline (N'-methylnicotinate)	Pos Early	C01004	5570	WWNNZCOKKKDOPX-UHFFFAOYSA-N	C[N+]1=CC(C([O-])=O)=CC=C1
glutamate, gamma-methyl ester	Pos Early		68662	ZGEYCCHDTIDZAE-UHFFFAOYSA-N	O=C(CCC(C(O)=O)N)OC
threonylphenylalanine	Pos Early		7010580	IQHUITKNHOKGFC-CSUXEGHOSA-N	N[C@@H](C(C)O)C(N[C@@H](CC1=CC=CC=C1)C(O)=O)=O
gamma-glutamylvaline	Pos Early		7015683	AQAKHZVPOOGUCK-XPUUQOCRSA-N	O=C(N[C@H]([C@@](O)=O)C(C)C)CC[C@@H]([C@](O)=O)N
propionylcarnitine (C3)	Pos Early	C03017	107738	UFAHZIUFPNSHSL-UHFFFAOYSA-N	[O-]C(CC(OC(CC)=O)C[N+](C)(C)C)=O
pro-hydroxy-pro	Pos Early		11902893	ONPXCLZMBSJLSP-ALKRTJFJSA-N	OC([C@H]1N(C([C@H]2NCCC2)=O)CC(O)C1)=O
1-methylhistamine	Pos Early	C05127	3614	FHQDWPCFSJMNCT-UHFFFAOYSA-N	CN1C=C(CCN)N=C1
1-methyl-4-imidazoleacetate	Pos Early	C05828	75810	ZHCKPJGJQOPTLB-UHFFFAOYSA-N	O=C(O)CC1=CN(C)C=N1
N-acetylglutamine	Pos Early	C02716	182230	KSMRODHGGIIXDV-YFKPBYRVSA-N	OC([C@H](CCC(N)=O)NC(C)=O)=O
N-acetylasparagine	Pos Early		99715	HXFOXFJUNFFYMO-BYPYZUCNSA-N	OC([C@@H](NC(C)=O)CC(N)=O)=O
glycylleucine	Pos Early	C02155	92843	DKEXFJVMVGETOO-LURJTMIESA-N	OC([C@@H](NC(CN)=O)CC(C)C)=O
gamma-glutamyl-epsilon-lysine	Pos Early		7015685	JPKNLFVGUZRHOB-YUMQZZPRSA-N	N[C@H](C(O)=O)CCCCNC(CC[C@@H](C(O)=O)N)=O
N-acetylarginine	Pos Early	C02562	67427	SNEIUMQYRCDYCH-LURJTMIESA-N	O=C(O)[C@@H](NC(C)=O)CCCNC(N)=N
gamma-glutamylglycine	Pos Early		100099	ACIJGUBIMXQCMF-BYPYZUCNSA-N	O=C(O)[C@@H](N)CCC(NCC(O)=O)=O
stachydrine	Pos Early	C10172	115244	CMUNUTVVOOHQPW-LURJTMIESA-N	C[N+]1(C)[C@H]([C@@]([O-])=O)CCC1
nicotinamide riboside	Pos Early	C03150	439924	BUCXGWMZJBKEMD-UHFFFAOYSA-N	NC(C1=C[N+](C2C(C(C(C[O-])O2)O)O)=CC=C1)=O
ophthalmate	Pos Early		7018721	JCMUOFQHZLPHQP-UHFFFAOYSA-N	O=C(NC(CC)C(NCC(O)=O)=O)CCC(C(O)=O)N
gamma-glutamylmethionine	Pos Early		7009567	RQNSKRXMANOPQY-BQBZGAKWSA-N	O=C(O)[C@H](CCSC)NC(CC[C@@H](C(O)=O)N)=O
gamma-glutamylthreonine	Pos Early		76078708	GWNXFCYUJXASDX-JUZNGCLZSA-N	CC(O)[C@@H](C(O)=O)NC(CC[C@@H](C(O)=O)N)=O
valerylcarnitine (C5)	Pos Early		6426903	VSNFQQXVMPSASB-UHFFFAOYSA-N	[O-]C(CC(C[N+](C)(C)C)OC(CCCC)=O)=O
methylurea	Pos Early	C16363	11719	XGEGHDBEHXKFPX-UHFFFAOYSA-N	NC(NC)=O
N1-methylinosine	Pos Early		650095	WJNGQIYEQLPJMN-UHFFFAOYSA-N	OC(C1O)C(OC1CO)N(C=N2)C(N=CN3C)=C2C3=O
N2,N2-dimethylguanosine	Pos Early		135501639	RSPURTUNRHNVGF-IOSLPCCCSA-N	O=C1C(N=CN2[C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](CO)([H])O3)=C2N=C(N(C)C)N1
N4-acetylcytidine	Pos Early		107461	NIDVTARKFBZMOT-PEBGCTIMSA-N	O[C@]1([H])[C@@](O)([H])[C@](CO)([H])O[C@]1(N2C(N=C(NC(C)=O)C=C2)=O)[H]
cysteine-glutathione disulfide	Pos Early	R00900	3080690	BNRXZEPOHPEEAS-UHFFFAOYSA-N	NC(C(O)=O)CCC(NC(CSSCC(N)C(O)=O)C(NCC(O)=O)=O)=O
7-methylguanine	Pos Early	C02242	135398679	FZWGECJQACGGTI-UHFFFAOYSA-N	O=C1C(N2C)=C(N=C2)N=C(N)N1
N-glycolylneuraminate	Pos Early	C03410	123802	FDJKUWYYUZCUJX-UHFFFAOYSA-N	OC(C1(O)OC(C(NC(CO)=O)C(C1)O)C(C(CO)O)O)=O
4-hydroxybutyrate (GHB)	Pos Early	C00989	10413	SJZRECIVHVDYJC-UHFFFAOYSA-N	OC(CCCO)=O
2-methylbutyrylcarnitine (C5)	Pos Early		6426901	IHCPDBBYTYJYIL-UHFFFAOYSA-N	CCC(C)C(OC(CC([O-])=O)C[N+](C)(C)C)=O
malonylcarnitine	Pos Early		22833583	ZGNBLKBZJBJFDG-UHFFFAOYSA-N	O=C(CC(O)=O)OC(CC([O-])=O)C[N+](C)(C)C
glutamine_degradant*	Pos Early			NPWMTBZSRRLQNJ-UHFFFAOYSA-N	O=C(CCC1N)NC1=O
2'-deoxyguanosine 5'-monophosphate (dGMP)	Pos Early	C00362	135398597	LTFMZDNNPPEQNG-UHFFFAOYSA-N	OP(OCC1OC(N2C3=C(C(NC(N)=N3)=O)N=C2)CC1O)(O)=O
homostachydrine*	Pos Early	C08283	441447	XULZWQRXYTVUTE-ZETCQYMHSA-N	C[N+]1(C)[C@@H](CCCC1)[C@]([O-])=O
glutarylcarnitine (C5-DC)	Pos Early		71317118	NXJAXUYOQLTISD-UHFFFAOYSA-N	[O-]C(CC(C[N+](C)(C)C)OC(CCCC(O)=O)=O)=O
beta-hydroxyisovaleroylcarnitine	Pos Early			IGLHHSKNBDXCEY-UHFFFAOYSA-N	[O-]C(CC(C[N+](C)(C)C)OC(CC(O)(C)C)=O)=O
2-methylmalonylcarnitine (C4-DC)	Pos Early		53481628	XROYFEWIXXCPAW-UHFFFAOYSA-N	[O-]C(CC(C[N+](C)(C)C)OC(C(C)C(O)=O)=O)=O
tiglylcarnitine (C5:1-DC)	Pos Early		22833596	WURBQCVBQNMUQT-RMKNXTFCSA-N	[O-]C(CC(C[N+](C)(C)C)OC(/C(C)=C/C)=O)=O
N-acetyl-aspartyl-glutamate (NAAG)	Pos Early	C12270	188803	OPVPGKGADVGKTG-UHFFFAOYSA-N	CC(NC(C(NC(CCC(O)=O)C(O)=O)=O)CC(O)=O)=O
glycerophosphoglycerol	Pos Early	C03274	54575349	LLCSXHMJULHSJN-UHFFFAOYSA-N	OC(CO)COP(O)(OCC(CO)O)=O
glycerophosphoethanolamine	Pos Early	C01233	123874	JZNWSCPGTDBMEW-UHFFFAOYSA-N	O=P(OCCN)(O)OCC(CO)O
glycerophosphoinositol*	Pos Early		167572	BMVUIWJCUQSHLZ-GFSNQTMESA-N	[H]C(C(O)(C(O)([C@](O)1[H])[H])[H])([C@@](OP(O)(OC[C@@]([H])(CO)O)=O)([C@]1(O)[H])[H])O
deoxycarnitine	Pos Early	C01181	22620	JHPNVNIEXXLNTR-UHFFFAOYSA-N	C[N+](C)(C)CCCC([O-])=O
tryptophan betaine	Pos Early	C09213	442106	AOHCBEAZXHZMOR-ZDUSSCGKSA-N	O=C([O-])[C@@H]([N@+](C)(C)C)CC1=CNC2=C1C=CC=C2
N6-carboxymethyllysine	Pos Early		123800	NUXSIDPKKIEIMI-UHFFFAOYSA-N	OC(CNCCCCC(C(O)=O)N)=O
glycylisoleucine	Pos Early		259613	KGVHCTWYMPWEGN-MSZQBOFLSA-N	OC([C@@H](NC(CN)=O)C(C)CC)=O
methylphosphate	Pos Early		13130	CAAULPUQFIIOTL-UHFFFAOYSA-N	O=P(O)(O)OC
dimethylarginine (SDMA + ADMA)	Pos Early	C21189,C03626	123831,169148	YDGMGEXADBMOMJ-LURJTMIESA-N	N[C@@H](CCCNC(N(C)C)=N)C(O)=O
N-methylalanine	Pos Early	C02721	4377	GDFAOVXKHJXLEI-VKHMYHEASA-N	C[C@H](NC)C(O)=O
alanylleucine	Pos Early		259583	RDIKFPRVLJLMER-UHFFFAOYSA-N	NC(C)C(NC(CC(C)C)C(O)=O)=O
succinylcarnitine (C4-DC)	Pos Early		71464481	HAEVNYBCYZZDFL-UHFFFAOYSA-N	[O-]C(CC(C[N+](C)(C)C)OC(CCC(O)=O)=O)=O
O-methyltyrosine	Pos Early	D00762	441350,2723935	MWZPENIJLUWBSY-UHFFFAOYSA-N	OC1=CC=C(CC(C(OC)=O)N)C=C1
5-methylthioribose**	Pos Early		6419710	OLVVOVIFTBSBBH-UHFFFAOYSA-N	OC1C(O)C(O)C(CSC)O1
cysteine sulfinic acid	Pos Early	C00606	109	ADVPTQAUNPRNPO-UHFFFAOYSA-N	O=C(C(CS(O)=O)N)O
ergothioneine	Pos Early	C05570	5351619	SSISHJJTAXXQAX-UHFFFAOYSA-N	S=C1NC(CC(C([O-])=O)[N+](C)(C)C)=CN1
S-methylmethionine	Pos Early	C05319	458	YDBYJHTYSHBBAU-UHFFFAOYSA-N	NC(CC[S+](C)C)C([O-])=O
piperidine	Pos Early	C01746	8082	NQRYJNQNLNOLGT-UHFFFAOYSA-N	C1CNCCC1
5-(galactosylhydroxy)-L-lysine	Pos Early		66995551	OWGKYELXGFKIHH-MYLOADSESA-N	O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)OC1OC(CCC(N)C(O)=O)CN
formiminoglutamate	Pos Early	C00439	439233	NRXIKWMTVXPVEF-BYPYZUCNSA-N	OC([C@@H](NC=N)CCC(O)=O)=O
4-hydroxyglutamate	Pos Early	C03079	439902	HBDWQSHEVMSFGY-SCQFTWEKSA-N	OC(C(O)=O)C[C@@H](C(O)=O)N
S-methylcysteine	Pos Early		24417,7058174,88180	IDIDJDIHTAOVLG-VKHMYHEASA-N	OC([C@H](CSC)N)=O
nicotinamide N-oxide	Pos Early		72661	USSFUVKEHXDAPM-UHFFFAOYSA-N	O=C(C1=C[N+]([O-])=CC=C1)N
argininate*	Pos Early		160437	BMFMQGXDDJALKQ-BYPYZUCNSA-N	N=C(N)NCCC[C@H](O)C(O)=O
2-oxoarginine*	Pos Early	C03771	558	ARBHXJXXVVHMET-UHFFFAOYSA-N	OC(C(CCC/N=C(N)/N)=O)=O
1-methyl-5-imidazoleacetate	Pos Early		6451814	UJCGYTCAMOHYCG-UHFFFAOYSA-N	O=C(O)CC1=CN=CN1C
S-methylcysteine sulfoxide	Pos Early		82142	ZZLHPCSGGOGHFW-UHFFFAOYSA-N	NC(CS(C)=O)C(O)=O
N-methyl-GABA	Pos Early	C15987	70703	AOKCDAVWJLOAHG-UHFFFAOYSA-N	CNCCCC(O)=O
leucylglutamine*	Pos Early		4305457	JYOAXOMPIXKMKK-UHFFFAOYSA-N	O=C(C(CC(C)C)N)NC(CCC(N)=O)C(O)=O
leucylglycine	Pos Early		79070	LESXFEZIFXFIQR-UHFFFAOYSA-N	O=C(C(CC(C)C)N)NCC(O)=O
valylleucine	Pos Early		352039	XCTHZFGSVQBHBW-UHFFFAOYSA-N	O=C(C(C(C)C)N)NC(CC(C)C)C(O)=O
carboxyethyl-GABA	Pos Early		2572	SRGQUICKDUQCKO-UHFFFAOYSA-N	O=C(CCCNCCC(O)=O)O
trimethylamine N-oxide	Pos Early	C01104	1145	UYPYRKYUKCHHIB-UHFFFAOYSA-N	C[N+](C)([O-])C
N6-methyllysine	Pos Early	C02728	164795	PQNASZJZHFPQLE-LURJTMIESA-N	O=C([C@H](CCCCNC)N)O
imidazole propionate	Pos Early		70630	ZCKYOWGFRHAZIQ-UHFFFAOYSA-N	OC(CCC1=CN=CN1)=O
phenylalanylglycine	Pos Early		6992304	GLUBLISJVJFHQS-UHFFFAOYSA-N	O=C(CNC(C(CC1=CC=CC=C1)N)=O)O
tryptophylglycine	Pos Early		263471	UYKREHOKELZSPB-UHFFFAOYSA-N	O=C(CNC(C(CC1=CNC2=C1C=CC=C2)N)=O)O
valylglutamine	Pos Early		5253209	XXDVDTMEVBYRPK-UHFFFAOYSA-N	O=C(C(C(C)C)N)NC(CCC(N)=O)C(O)=O
valylglycine	Pos Early		136487	IOUPEELXVYPCPG-UHFFFAOYSA-N	O=C(C(C(C)C)N)NCC(O)=O
prolylglycine	Pos Early		6426709	RNKSNIBMTUYWSH-YFKPBYRVSA-N	O=[C@]([C@H]1NCCC1)NCC(O)=O
(R)-3-hydroxybutyrylcarnitine	Pos Early		53481617	UEFRDQSMQXDWTO-UHFFFAOYSA-N	CC(CC(OC(C[N+](C)(C)C)CC([O-])=O)=O)O
N-acetylcarnosine	Pos Early		9903482	BKAYIFDRRZZKNF-VIFPVBQESA-N	OC([C@H](CC1=CN=CN1)NC(CCNC(C)=O)=O)=O
histidine betaine (hercynine)*	Pos Early		3083620	GPPYTCRVKHULJH-UHFFFAOYSA-N	C[N+](C)(C(C([O-])=O)CC1=CN=CN1)C
2,8-quinolinediol	Pos Early	C06342	97250	ZXZKYYHTWHJHFT-UHFFFAOYSA-N	O=C1C=CC2=CC=CC(O)=C2N1
dimethyl sulfone	Pos Early	C11142	6213	HHVIBTZHLRERCL-UHFFFAOYSA-N	CS(C)(=O)=O
o-Tyrosine	Pos Early		91482	WRFPVMFCRNYQNR-UHFFFAOYSA-N	NC(C(O)=O)CC1=CC=CC=C1O
2-aminoheptanoate	Pos Early		227939	RDFMDVXONNIGBC-UHFFFAOYSA-N	OC(C(CCCCC)N([H])[H])=O
benzoylcarnitine*	Pos Early			AWUHAZDZHNWQAG-UHFFFAOYSA-N	O=C(C1=CC=CC=C1)OC(C[N+](C)(C)C)CC([O-])=O
methionine sulfone	Pos Early		69961	UCUNFLYVYCGDHP-UHFFFAOYSA-N	O=S(C)(CCC(N)C(O)=O)=O
fructosyllysine	Pos Early		9839580	BFSYFTQDGRDJNV-QCNRFFRDSA-N	OC[C@@H](O)[C@@H](O)[C@H](O)C(CNCCCC[C@@H](N)C(O)=O)=O
N-methylpipecolate	Pos Early		11286529	BPSLZWSRHTULGU-ZCFIWIBFSA-N	CN1[C@@H](C(O)=O)CCCC1
O-sulfo-L-tyrosine	Pos Early		514186	CIQHWLTYGMYQQR-QMMMGPOBSA-N	OS(OC1=CC=C(C[C@H](N)C(O)=O)C=C1)(=O)=O
N-acetylmethionine sulfoxide	Pos Early		11902949	NPIMMZJBURSMON-UHFFFAOYSA-N	OC(C(CCS(C)=O)NC(C)=O)=O
methyl glucopyranoside (alpha + beta)	Pos Early		445238,3036743,2108	HOVAGTYPODGVJG-ZFYZTMLRSA-N	O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)OC)O)O
phenylacetylcarnitine	Pos Early		101724840	DZTZJNGATJMDSH-CYBMUJFWSA-N	O=C(CC1=CC=CC=C1)O[C@H](CC([O-])=O)C[N+](C)(C)C
adipoylcarnitine (C6-DC)	Pos Early		71296139	BSVHAXJKBCWVDA-UHFFFAOYSA-N	[O-]C(CC(OC(CCCCC(O)=O)=O)C[N+](C)(C)C)=O
4-hydroxyphenylacetoylcarnitine	Pos Early			RLMMGDAPWBGWEF-UHFFFAOYSA-N	[O-]C(CC(OC(CC1=CC=C(C=C1)O)=O)C[N+](C)(C)C)=O
thioproline	Pos Early		93176	DZLNHFMRPBPULJ-VKHMYHEASA-N	O=C(O)[C@]1(NCSC1)[H]
(S)-3-hydroxybutyrylcarnitine	Pos Early		71464477	UEFRDQSMQXDWTO-UHFFFAOYSA-N	CC(O)CC(OC(C[N+](C)(C)C)CC([O-])=O)=O
methylsuccinoylcarnitine	Pos Early			GFWWWKVGRZVWDS-UHFFFAOYSA-N	[O-]C(CC(C[N+](C)(C)C)OC(CC(C(O)=O)C)=O)=O
succinylglutamine	Pos Early			RLYZAJHMBJUMAP-YFKPBYRVSA-N	O=C(N[C@@H](CCC(N)=O)C(O)=O)CCC(O)=O
2'-O-methylcytidine	Pos Early		150971	RFCQJGFZUQFYRF-ZOQUXTDFSA-N	O=C1N(C=CC(N)=N1)[C@@H]([C@H](OC)[C@@H]2O)O[C@@H]2CO
gamma-glutamyl-alpha-lysine	Pos Early		65254	LNLLNTMHVMIMOG-YUMQZZPRSA-N	O=C(N[C@@H](CCCCN)C(O)=O)CC[C@H](N)C(O)=O
glycerophosphoserine*	Pos Early		3081457	ZWZWYGMENQVNFU-AKGZTFGVSA-N	OC([C@@H](N)COP(OCC(CO)O)(O)=O)=O
N,N,N-trimethyl-5-aminovalerate	Pos Early		14274897	CDLVFVFTRQPQFU-UHFFFAOYSA-N	C[N+](C)(C)CCCCC([O-])=O
(N(1) + N(8))-acetylspermidine	Pos Early	C01029,C00612	496,123689	MQTAVJHICJWXBR-UHFFFAOYSA-N	CC(NCCCNCCCCN)=O
butenoylcarnitine (C4:1)	Pos Early			HQDBMDGXEZLSNK-AATRIKPKSA-N	C/C=C/C(OC(CC([O-])=O)C[N+](C)(C)C)=O
isocaproylcarnitine	Pos Early			GCKJJXWIYAKHOA-LLVKDONJSA-N	CC(CCC(O[C@@H](C[N+](C)(C)C)CC([O-])=O)=O)C
hydroxyasparagine**	Pos Early	C20631	15991574	ZBYVTTSIVDYQSO-REOHCLBHSA-N	O=C(O)[C@@H](N)CC(NO)=O
3-hydroxybutyroylglycine**	Pos Early			VMIWHQCIHIUYCS-UHFFFAOYSA-N	O=C(CC(O)C)NCC(O)=O
N,N,N-trimethyl-alanylproline betaine (TMAP)	Pos Early			KXONJPJIFNGMCN-UHFFFAOYSA-N	O=C(C([N+](C)(C)C)C)N1CCCC1C([O-])=O
3-formylindole	Pos Early	C08493	10256	OLNJUISKUQQNIM-UHFFFAOYSA-N	O=CC1=CNC2=CC=CC=C12
3-amino-2-piperidone	Pos Early		5200225	YCCMTCQQDULIFE-UHFFFAOYSA-N	NC1CCCNC1=O
N,N-dimethylalanine	Pos Early		5488191	QCYOIFVBYZNUNW-BYPYZUCNSA-N	C[C@@](C(O)=O)(N(C)C)[H]
3-hydroxyhexanoylcarnitine (1)	Pos Early			VYEONLJQPYRKAN-UHFFFAOYSA-N	C[N+](C)(C)CC(OC(CC(O)CCC)=O)CC([O-])=O
3-hydroxyhexanoylcarnitine (2)	Pos Early			VYEONLJQPYRKAN-UHFFFAOYSA-N	C[N+](C)(C)CC(OC(CC(O)CCC)=O)CC([O-])=O
N-(ADP-ribosyl)-arginine (1)*	Pos Early		493,46173712	IWVSYNGKNZFSSA-UHFFFAOYSA-N	NC1=NC=NC2=C1N=CN2C3C(O)C(O)C(COP(O)(OP(OCC4C(O)C(O)C(NC(NCCCC(N)C(O)=O)=N)O4)(O)=O)=O)O3
carboxymethylarginine	Pos Early			LJNDQMBPIQGDNB-UHFFFAOYSA-N	O=C(O)C(NCC(O)=O)CCCNC(N)=N
hydroxy-N6,N6,N6-trimethyllysine*	Pos Early			ZRJHLGYVUCPZNH-MQWKRIRWSA-N	[O-]C([C@@H](N)C(O)CCC[N+](C)(C)C)=O
leucylhydroxyproline*	Pos Early		20847829	JCCZCUUYYHWRGX-UHFFFAOYSA-N	NC(CC(C)C)C(N1C(C(O)=O)CC(O)C1)=O
isoleucylhydroxyproline*	Pos Early		61158802	IFZSZULHIWFRSB-UHFFFAOYSA-N	NC(C(C)CC)C(N1C(C(O)=O)CC(O)C1)=O
1-methyl-5-imidazolelactate	Pos Early			MXETUSMIYKMMAT-UHFFFAOYSA-N	CN1C=NC=C1CC(O)C(O)=O
3-hydroxyoctanoylcarnitine (1)	Pos Early			RCXSFDNDEVSQNG-UHFFFAOYSA-N	[O-]C(CC(OC(C(O)CCCCCC)=O)C[N+](C)(C)C)=O
3-hydroxyoctanoylcarnitine (2)	Pos Early			RCXSFDNDEVSQNG-UHFFFAOYSA-N	[O-]C(CC(OC(C(O)CCCCCC)=O)C[N+](C)(C)C)=O
N,N-dimethyl-pro-pro	Pos Early			VOWFCBSRZKGKTF-UHFFFAOYSA-N	O=C(N1CCCC1C([O-])=O)C2CCC[N+]2(C)C
oxindolylalanine	Pos Early		20977764	YLEQTOAIAOPFBY-UHFFFAOYSA-N	OC(C(N)(C)N(C1=C(C2)C=CC=C1)C2=O)=O