compound	N5old_1	C4_1	A17_1	A9_1	C1_1	A24_1	A3_1	N5_1	A11_1	N5old_2	C4_2	A17_2	A9_2	C1_2	A24_2	A3_2	N5_2	A11_2	N5old_3	C4_3	A17_3	A9_3	C1_3	A24_3	A3_3	N5_3	A11_3	N5old_4	C4_4	A17_4	A9_4	C1_4	A24_4	A3_4	A11_4
Glycerone	-2.07794700451631	-3.16912305859102	-2.85798099512757	-3.51630349876665	-3.81589167873707	-3.05649896667874	-3.85021985907055	-2.69986012774676	-3.2410080995038	-2.57996551622288	-3.31764708813565	-2.95819884067645	-3.84799690655495	-4.1926450779424	-2.74520511734225	-3	-2.93772621922051	-2.68449817427207	-2.49525335703666	-4.10473911630358	-2.41723552499211	-2.08602793531899	-3.8391750879643	-2.86129372916841	-2.33087479990535	-3.8714574302487	-4.01748199487465	-3.37678378075167	-2.44846050081629	-3.04827590755605	-2.61782532764356	-3.73039294024272	-2.69479381501159	-2.68307188113226	-3.16992500144231
3-Hydroxyphenylacetate	-2.37340288804248	-1.90608865275722	-2.98351187721143	-2.22679688157166	-1.87729222340122	-2.776391047486	-2.85021985907055	-2.14043271913274	-3.37851162325373	-3.28040523436397	-2.21073188421914	-2.09570236442638	-2.36257007938471	-3.09310940439148	-2.02531303653498	-2.44057259138598	-2.03726189277142	-2.37637587890974	-1.96473864033788	-3.32713153764002	-2.51034492938359	-3.43180277216072	-3.68717199451925	-3.44625622988956	-3.65280289479271	-4.00896095399863	0	-3.73935386013638	-3.44846050081629	0	-2.61782532764356	0	-3.411000849011	-2.68307188113226	-2.38142910663602
3-Oxo-3-phenylpropanoate	-1.24787200595863	-2.58416055786986	-1.58496250072116	-2.3643004053216	-2.70041446131714	-3.16341417059525	-2.95713506298706	-3.24734792304925	-1.74624340775422	-2.57996551622288	-2.43312430555559	-1.95819884067645	-2.84799690655495	-3.29956028185891	-3.1322282404515	-3.54748779530249	-3.14417709668793	-0.989352755800491	-0.758287762870453	-2.35750518668354	-2.2473105235498	-3.55733365424458	-2.54966847076932	-2.86129372916841	-2.51529937104278	-2.8714574302487	-1.87997847112472	-1.5925124718071	-2.17544200640988	-1.70035260413574	-1.68821465553496	-2.666262602823	-3.51791605292752	-2.7355393010264	-2.92891690193852
4-Aminobutanoate	-0.0646501819028549	-0.999198057148705	-0.253118936968711	-0.226796881571662	-2.94142256082093	-1.54192579384898	-2.01371859135343	-0.662385422328094	-1.49098635251214	-2.57996551622288	-1.40337696216153	0.0253130365349845	-2.04064198449735	-2.75207248655641	-2.37323633995529	-1.54748779530249	-0.694869695324343	-2.75488750216347	-1.14161640242196	-1.86769991900273	-2.83227302427095	-2.26187777071841	-2.05490377901974	-1.63890130783196	0	-1.68703285911127	-1.815848133705	-1.63981818658546	-1.54156990520778	-2.70035260413574	0	0	-0.914575022891504	-3.32050180174755	-1.34395440121736
4-Hydroxybenzoate	0	-0.560313815915493	-0.560300446486887	0	-0.974589424756133	0	0	0	0	-2.5255177322005	-1.66053480165866	-1.51073986370523	0	-2.35614381022528	0	0	0	0	0	0	0	0	-0.879817072461647	0	0	0	0	0	0	-1.18577943130598	-3.20278782836472	0	0	0	0
5-Aminopentanoate	-1.51090641179242	2.76397741634035	-0.465663572348812	-1.07151865609375	-1.04330217484015	-1.50630188411826	-0.487649779685838	1.36509531409401	-0.53051471669878	-1.11048023292166	1.57437023099134	-0.863041607636107	-1	-0.2720795454368	-1.24770545787143	-1.13940305666542	-0.937726219220506	-0.828888083607245	0.629442390412655	2.90728675250342	-0.486498187429224	0.0385171626193088	0.5144618666504	-0.464403576599824	0.484700628957221	0.383356468780129	0.506079961182361	0.298781268750395	2.30419890045506	-0.240920985498442	-1.10325215481381	1.59153515464464	-1.31146517546009	-1.18664605501276	-0.722466024471092
Acetate	5.94318720857303	7.04495316381017	7.70163509068515	6.8743431710276	5.8441042136929	6.14387422589591	6.4550276224007	7.30532117446502	6.0247134857719	5.76603671364334	5.63004603937592	6.11642919713662	6.28668609813261	5.90557503956266	5.87145182992043	5.37663950523133	5.59521406915237	4.95798336552644	5.76658039068718	6.12588181682629	5.97535023128336	5.90135257814989	6.10073056487218	4.86390208805826	5.52611088987685	6.80337682034874	6.93787731036834	7.21805916293404	6.99655434505213	6.36996004787454	5.563504437071	4.49141385289779	5.21783522441281	5.36132223822619	5.18682706135273
Betaine	0	0	0	0	0	-3.69392888729403	-3.85021985907055	-4.14043271913274	0	-4.69544273364281	-7.01808680627674	-6.41763045931374	-6.16992500144231	0	-4.24770545787143	-4.24792751344359	-5.25965431410787	-6.07681559705083	-4.66517835847897	-5.59016594347382	-3.83227302427095	-4.84684027143957	-1.76117257596303	-3.30875270613963	-3.06784039407156	-2.57600154672252	-4.01748199487465	-4.22478068730662	0	-4.18577943130598	-5.01014275042232	-4.0198995574377	-4.21835577106861	-3.03099518455257	0
Butanoic acid	1.1727900425141	2.56964477820917	3.42742122373468	2.61068770667033	1.55334213092864	1.09034242165053	1.13684108522196	2.46584028783383	1.01380579952503	0.962768749108981	1.5365020454009	2.91775989538018	2.00500068105837	1.05528243550119	1.40573678073249	0.990477225881493	1.81359466792277	0.523097245136297	1.69237364613911	1.06804553927798	2.72487153231044	2.81849564574561	1.41716466529549	0.489203517915725	1.18008711937203	2.02666295573209	1.51857090536556	1.89208307038428	2.1637936915726	2.80744203606296	1.78751877543144	0.261386552952311	1.411000849011	1.16778467956193	0.415037499278843
Choline	-1.78844038732133	-1.79061143533729	-0.857980995127573	-2.3643004053216	-1.70041446131714	-1.00587289360877	-2.13401282507114	-1.1148976270256	-2.30812229536233	-0.854140479661873	-1.77015929283316	-1.41763045931374	-2.16992500144231	-1.91253715874966	-1.30910600253558	-1.24792751344359	-1.52268871994166	-1.90689059560852	-1.1733252621493	-2.91209403836118	-1.20778215936316	-1.90824081610371	-1.96470597004816	-2.1243281350022	-1.19337127615542	-1.44824599952415	-1.1694850883197	-0.961746281472824	-1.33298328339636	-1.64972653106577	-1.45555389874469	-1.666262602823	-1.38546575690386	-1.30060224430985	-2.16992500144231
Citrate	-0.902097169116895	-0.205648934616131	-2.19501598240514	-2.04237231043424	-1.00853675667947	-1.69392888729403	-1.26525735834939	-2.04089704558182	-1.61297687689075	-3.47305031230637	-1.88880378933178	-1.66274295715028	-2.46948528330122	-1.83007499855769	-1.70338494164762	-2.72436555738657	-2.67469181338671	-1.61738397841353	-1.75828776287045	-2.48582928365908	-1.46303921460524	-2.08602793531899	-2.05490377901974	-3.06774460663584	-2.88726814842974	-2.6304493307449	-1.58452258759855	-1.5925124718071	-2.44846050081629	-1.25978001274976	-2.61782532764356	-1.98037119325107	-2.63339327034745	-2.44603268383141	-1.41990325445066
Creatine	-0.97485351155221	-2.09873373069962	-0.610053481683987	-0.0863156580218316	-0.786144335343023	1.10193039592574	-2.57011193987781	0.0856353603471076	-2.2410080995038	0.0505116437506459	-2.16010581114917	-1.83266795859259	-1.58496250072116	-1.35614381022527	-1.97468696346502	-0.25924282667142	-1.03726189277142	0.122856747785534	-1.7109820480921	-2.02945098899934	-2.60988060293451	-1.80731190725293	-0.566156593557884	-2.24462236871991	0.525114897403129	-3.16096404744368	-0.913145335059917	-0.592512471807105	-1.67587099691937	-1.80726780805225	-1.3662865606476	-0.235628248493142	-1.04843076962629	-0.392394720229341	-2.30742852519225
Phosphocreatine	-3.37340288804248	-2.68369623142078	-2.53605290024021	-2.68622850020896	-3.23092917801592	-1.5784516698741	0	0	0	0	0	0	0	0	0	-3.16046467219325	0	-2.32192809488736	-2.34325026359161	-3.51977661558242	0.0421960936451864	-3.62444785010312	-2.61678266662785	-2.37586690199817	-3.51529937104278	-3.74592654816484	-2.1694850883197	-2.96174628147282	0	0	0	0	0	0	0
Creatinine	-4.24787200595862	-3.68369623142078	-4.85798099512757	-5.1012659994878	-5.40085417945823	-3.27889138801519	-6.65757478112815	-5.94778764119034	-3.89308479608349	-4.11048023292166	-3.43312430555559	-3.09570236442638	-3.71049338280501	-5.41503749927884	-5.83266795859259	-3.78849589480629	-3.84461681482902	0	-2.96473864033788	-3.74216903691887	-2.71679580685102	-4.84684027143957	-3.8391750879643	-3.76818432477693	-3.06784039407156	-4.33088904888599	-3.33941008976201	-3.54670878219398	-4.03342300153745	-3.50770752619334	-2.76221523697874	-4.18982455888002	0	0	-5.04439411935845