Name	Genes (tot)	Stat (dist.dir.up)	p (dist.dir.up)	p adj (dist.dir.up)	Stat (dist.dir.dn)	p (dist.dir.dn)	p adj (dist.dir.dn)	Stat (non-dir.)	p (non-dir.)	p adj (non-dir.)	Genes (up)	Stat (mix.dir.up)	p (mix.dir.up)	p adj (mix.dir.up)	Genes (down)	Stat (mix.dir.dn)	p (mix.dir.dn)	p adj (mix.dir.dn)
ethanol[c]	11	-1.2906	0.91501	0.99999	1.2906	0.14027	0.75377	10.017	0.20643	0.70177	5	6.5983	0.38388	0.98993	6	7.539	0.13785	0.65625
NAD+[c]	169	10.14	0.85309	0.99999	-8.3243	0.18717	0.81989	31.871	0.33121	0.84777	105	25.726	0.67562	0.99076	64	18.839	0.08719	0.6069
acetaldehyde[c]	18	0.039411	0.89944	0.99999	-0.039411	0.16896	0.81568	12.68	0.15836	0.62529	10	8.4156	0.48362	0.99076	8	9.6113	0.054198	0.50541
H+[c]	720	33.783	0.052115	0.37768	-28.758	0.87876	1	66.191	0.14606	0.60522	481	59.648	0.20409	0.81349	239	30.267	0.39213	0.92837
NADH[c]	137	9.8029	0.7748	0.99999	-7.8199	0.23301	0.88301	30.544	0.13405	0.58723	87	24.265	0.53649	0.99076	50	18.552	0.026886	0.36865
NADP+[c]	207	8.3237	0.97738	0.99999	-4.9127	0.018054	0.27646	38.079	0.057643	0.40484	120	29.625	0.36584	0.98624	87	23.944	0.0092114	0.2526
NADPH[c]	197	7.9039	0.97814	0.99999	-4.4075	0.015722	0.25636	36.89	0.073499	0.45301	113	28.767	0.36946	0.98833	84	23.128	0.016152	0.30306
acetate[c]	41	7.4378	0.42938	0.9312	-7.0412	0.61766	1	16.429	0.30745	0.82908	27	14.355	0.39361	0.99076	14	8.1803	0.35014	0.90617
ATP[c]	993	44.732	0.00027705	0.012647	-40.444	0.9992	1	77.498	0.12103	0.56684	652	74.034	0.0027315	0.076709	341	29.876	0.98445	0.99607
CoA[c]	157	14.274	0.37398	0.8939	-14.25	0.77695	1	28.992	0.59338	0.9749	102	26.163	0.55059	0.99076	55	13.353	0.6261	0.9673
acetyl-CoA[c]	116	12.84	0.33773	0.85825	-12.811	0.78121	1	23.603	0.75935	0.97978	75	22.229	0.57157	0.99076	41	9.6367	0.84184	0.96952
AMP[c]	326	28.364	0.0032309	0.065763	-27.748	0.99843	1	42.231	0.57291	0.96915	223	41.76	0.15894	0.71126	103	13.686	0.98688	0.99607
PPi[c]	382	33.192	0.00010108	0.0062491	-32.579	0.99995	1	46.863	0.40336	0.87507	269	46.657	0.079334	0.49723	113	14.176	0.9912	0.9989
acetate[m]	13	-0.89159	0.9105	0.99999	0.89159	0.1467	0.76205	10.476	0.23045	0.74463	6	7.184	0.38465	0.98993	7	7.6248	0.16682	0.68544
ATP[m]	264	30.551	4.1761e-05	0.0030642	-29.641	0.99995	1	40.851	0.17535	0.64466	187	41.87	0.0095357	0.17163	77	10.393	0.99311	0.99942
CoA[m]	93	6.8484	0.83327	0.99999	-5.4938	0.20478	0.83643	20.921	0.77095	0.97978	61	16.189	0.95256	0.99076	32	13.313	0.16727	0.68544
acetyl-CoA[m]	53	0.89138	0.97639	0.99999	0.90308	0.027265	0.35382	14.485	0.85419	0.98629	34	8.6916	0.99492	0.99665	19	12.566	0.054557	0.50541
AMP[m]	56	4.5596	0.83691	0.99999	-4.3927	0.26472	0.90708	17.308	0.56569	0.96389	35	13.318	0.80674	0.99076	21	11.071	0.19109	0.72859
PPi[m]	52	4.9096	0.78312	0.99999	-4.9096	0.34478	0.99872	14.685	0.8168	0.9838	32	12.204	0.85113	0.99076	20	8.2419	0.54452	0.9673
NAD+[m]	151	17.26	0.10535	0.51248	-15.426	0.86487	1	29.388	0.45212	0.91186	106	26.991	0.49378	0.99076	45	12.408	0.5582	0.9673
pyruvate[m]	15	9.8683	0.044662	0.35128	-8.8524	0.91677	1	11.673	0.16544	0.6389	12	11.398	0.1863	0.7707	3	3.306	0.49786	0.96722
CO2[m]	35	12.512	0.033243	0.30067	-12.512	0.96792	1	14.962	0.35709	0.85452	27	15	0.3017	0.93225	8	3.74	0.74134	0.9673
H+[m]	439	34.71	0.00010291	0.0062491	-32.487	0.99979	1	51.594	0.21956	0.7214	310	50.303	0.057178	0.4198	129	17.2	0.96016	0.98432
NADH[m]	146	16.417	0.13974	0.57901	-14.552	0.82639	1	28.977	0.44368	0.9064	102	26.284	0.53194	0.99076	44	12.764	0.48886	0.96722
H+[p]	72	3.7087	0.94069	0.99999	-2.0875	0.071168	0.55736	22.884	0.14544	0.60404	41	17.252	0.43331	0.99076	31	15.035	0.045309	0.45501
NADH[p];NAD+[p]	29	0.43725	0.93756	0.99999	2.1173	0.035484	0.39811	17.329	0.041962	0.34962	15	12.131	0.23064	0.83405	14	12.383	0.023671	0.3449
pyruvate[p]	9	7.9321	0.080774	0.45289	-7.9321	0.91235	1	10.394	0.10243	0.52345	8	9.4221	0.22283	0.82742	1	4.532	0.15819	0.66304
L-lactate[p]	4	5.3699	0.1738	0.65118	-5.3699	0.81774	1	4.8552	0.48358	0.93172	4	4.8552	0.56929	0.99076	0	NA	NA	NA
pyruvate[c]	29	10.462	0.081315	0.45289	-10.462	0.92455	1	12.001	0.61906	0.97734	23	11.917	0.60227	0.99076	6	3.0509	0.73583	0.9673
L-lactate[c]	18	7.6799	0.17034	0.6476	-7.6799	0.84352	1	10.191	0.47588	0.926	13	10.446	0.35063	0.97794	5	2.4933	0.74528	0.9673
H2O[c]	879	22.456	0.99594	0.99999	-18.777	0.017049	0.26386	69.272	0.62641	0.97734	539	57.109	0.93506	0.99076	340	39.476	0.046587	0.46457
acetaldehyde[m];lactaldehyde[m];4-aminobutanal[m];4-acetamidobutanoate[c];imidazole-4-acetate[c];glycolaldehyde[m];glycolate[m];D-glucurono-6,3-lactone[c];D-glucarate[c];perillyl aldehyde[c];perillic acid[c]	5	1.4978	0.59693	0.99999	-1.4978	0.44841	1	6.423	0.33494	0.84884	3	5.1059	0.41428	0.99076	2	3.9022	0.32506	0.888
H2O[m]	308	30.159	0.00031295	0.013274	-26.552	0.99728	1	45.281	0.073822	0.45301	220	43.696	0.030873	0.27919	88	15.623	0.81352	0.9673
fructose-6-phosphate[c]	23	6.9609	0.29584	0.83489	-6.9062	0.74107	1	13.051	0.25889	0.77413	15	12.495	0.19027	0.77945	8	5.0195	0.5622	0.9673
ADP[c]	678	34.074	0.024652	0.25916	-29.267	0.933	1	64.979	0.094509	0.51052	431	61.151	0.0043636	0.10138	247	26.879	0.89731	0.97155
fructose-1,6-bisphosphate[c]	8	6.6945	0.13799	0.576	-6.6066	0.85409	1	12.392	0.013723	0.22554	6	10.809	0.044741	0.35458	2	6.063	0.1013	0.61961
UTP[c]	84	29.133	4.5663e-09	8.0413e-06	-28.478	1	1	29.976	0.00062041	0.045523	73	30.911	0.00054471	0.030794	11	3.2074	0.88362	0.97155
UDP[c]	103	25.444	1.0181e-05	0.0011205	-24.463	0.99995	1	28.941	0.030292	0.31813	78	30.568	0.0017646	0.05868	25	4.749	0.96881	0.99033
DHAP[c]	9	5.8717	0.2123	0.71868	-1.5171	0.38099	1	14.937	0.0013251	0.066776	6	12.174	0.012964	0.18954	3	8.6538	0.019488	0.31942
erythrose-4-phosphate[c]	6	9.4436	0.023359	0.2493	-9.4436	0.96841	1	8.9496	0.11996	0.56333	6	8.9496	0.16414	0.72403	0	NA	NA	NA
sedoheptulose-1,7-bisphosphate[c]	6	11.375	0.0053574	0.092495	-11.274	0.99015	1	10.809	0.030139	0.31813	6	10.809	0.044741	0.35458	0	NA	NA	NA
PEP[c]	8	12.723	0.0022247	0.05382	-12.723	0.99583	1	12.278	0.015334	0.22865	8	12.278	0.030569	0.27874	0	NA	NA	NA
methylglyoxal[c]	11	2.3314	0.62484	0.99999	1.6076	0.12292	0.72528	6.9655	0.63038	0.97734	7	5.4955	0.71117	0.99076	4	4.2812	0.43151	0.95692
2-phospho-D-glycerate[c]	7	9.0996	0.032579	0.29726	-9.0996	0.95835	1	8.302	0.21921	0.7214	7	8.302	0.30086	0.93225	0	NA	NA	NA
3-phospho-D-glycerate[c]	13	9.0262	0.061481	0.39951	-8.624	0.91942	1	9.36	0.37669	0.85827	10	10.337	0.21933	0.82479	3	0.61129	0.84901	0.96952
1,3-bisphospho-D-glycerate[c]	11	10.435	0.020681	0.23496	-9.9983	0.96545	1	10.887	0.12557	0.5729	9	11.547	0.076575	0.48641	2	1.0372	0.73708	0.9673
Pi[c]	356	24.49	0.090678	0.47828	-22.622	0.92523	1	47.305	0.15202	0.61328	233	43.51	0.085117	0.51373	123	20.594	0.5891	0.9673
2,3-bisphospho-D-glycerate[c]	4	4.3105	0.26333	0.79656	-4.3105	0.73764	1	3.4622	0.68711	0.97978	4	3.4622	0.76324	0.99076	0	NA	NA	NA
GAP[c]	9	12.79	0.0024186	0.055314	-12.79	0.99549	1	12.141	0.026425	0.30818	9	12.141	0.04867	0.37257	0	NA	NA	NA
glucose-6-phosphate[c]	12	5.6331	0.28147	0.81284	-5.6335	0.73998	1	11.577	0.10209	0.52345	9	9.5775	0.25234	0.86808	3	6.5643	0.10385	0.61961
glucose[c]	33	3.3883	0.77986	0.99999	-2.4957	0.24893	0.90708	15.61	0.22264	0.72606	18	13.087	0.2241	0.82745	15	8.8168	0.29844	0.85456
glucose-1-phosphate[c]	14	4.5781	0.42776	0.9312	-4.1906	0.58122	1	10.225	0.30348	0.8273	8	9.9109	0.17039	0.73721	6	4.1743	0.5792	0.9673
glucose-6-phosphate[r]	7	8.4685	0.048486	0.36334	-8.469	0.94168	1	6.8798	0.40792	0.87802	7	6.8798	0.50985	0.99076	0	NA	NA	NA
H2O[r]	119	6.449	0.93092	0.99999	-6.3922	0.18401	0.81767	25.59	0.52878	0.95019	72	19.915	0.81636	0.99076	47	16.07	0.12168	0.65625
glucose[r]	5	12.073	0.0022398	0.05382	-9.78	0.97726	1	11.584	0.0084863	0.17791	5	11.584	0.012494	0.18753	0	NA	NA	NA
Pi[r]	22	15.213	0.0014674	0.038568	-15.212	0.99748	1	15.033	0.069123	0.441	19	15.916	0.038201	0.31451	3	0.65579	0.84496	0.96952
lipoamide[m]	11	8.1033	0.08669	0.46956	-8.1033	0.90848	1	8.2476	0.43995	0.90508	8	9.3729	0.22858	0.83191	3	0.48705	0.85994	0.96952
S-acetyldihydrolipoamide[m]	3	3.4224	0.32065	0.85141	-3.4224	0.68371	1	2.2079	0.76966	0.97978	3	2.2079	0.81864	0.99076	0	NA	NA	NA
dihydrolipoamide[m]	7	5.3762	0.22485	0.74726	-5.3762	0.77937	1	4.9505	0.69228	0.97978	5	6.1502	0.4521	0.99076	2	-0.46279	0.88571	0.97155
beta-D-glucose[c]	7	0.24935	0.77111	0.99999	-0.24935	0.28968	0.93502	5.8112	0.5692	0.96474	5	3.1864	0.85006	0.99076	2	5.8336	0.1176	0.65625
beta-D-glucose-6-phosphate[c]	7	2.6453	0.51684	0.99999	-2.6458	0.52581	1	8.322	0.21696	0.72116	5	6.1573	0.45101	0.99076	2	5.8336	0.1176	0.65625
H2O2[p]	19	0.81274	0.8655	0.99999	5.3403	0.0085132	0.17926	16.338	0.011445	0.20778	12	10.059	0.35519	0.97794	7	13.748	0.00050842	0.05071
H2O[p]	41	0.32097	0.96918	0.99999	3.8677	0.0066665	0.15447	17.503	0.1819	0.65765	24	11.082	0.75692	0.99076	17	14.014	0.010383	0.26703
carbamoyl-phosphate[r];NH3[r]	2	2.9703	0.33101	0.85656	-2.9703	0.66925	1	2.4353	0.63514	0.97941	2	2.4353	0.69058	0.99076	0	NA	NA	NA
CO2[r]	4	2.2518	0.48477	0.98295	-2.2518	0.54383	1	4.7469	0.49998	0.94572	3	3.8273	0.61048	0.99076	1	2.8647	0.35762	0.91164
O2[c]	152	4.3969	0.99347	0.99999	-1.0643	0.0052268	0.12609	34.004	0.031782	0.31846	85	25.059	0.36703	0.98624	67	22.992	0.0023742	0.11674
H2O[s]	127	7.6421	0.89754	0.99999	-3.9166	0.049857	0.4923	32.175	0.018208	0.25248	81	24.117	0.43278	0.99076	46	21.459	0.00052242	0.05071
maltose[s]	7	-5.639	0.99312	0.99999	5.639	0.018974	0.28492	6.797	0.42021	0.8838	2	1.415	0.8126	0.99076	5	7.1474	0.13209	0.65625
glucose[s]	26	3.0691	0.74954	0.99999	-2.0637	0.25607	0.90708	12.983	0.36724	0.85452	15	10.838	0.40596	0.99076	11	7.304	0.36112	0.9117
UDP-glucose[c]	17	9.3534	0.067724	0.417	-9.3536	0.92977	1	9.6934	0.50524	0.9497	13	10.743	0.3089	0.9323	4	0.61603	0.89047	0.97155
UDP-glucuronate[c]	16	6.5623	0.24492	0.76608	-6.5623	0.77792	1	10.319	0.37752	0.85894	12	9.2313	0.48005	0.99076	4	4.6484	0.37716	0.91745
trehalose[s]	2	1.9563	0.44456	0.94778	-1.9563	0.57124	1	1.3573	0.7752	0.97978	2	1.3573	0.81848	0.99076	0	NA	NA	NA
glycogenin[c]	6	4.2599	0.31626	0.84899	-4.2603	0.69683	1	6.703	0.37257	0.85654	5	5.4554	0.55997	0.99076	1	4.2205	0.18865	0.7212
glycogenin G8[c]	3	6.3239	0.093448	0.48259	-6.3245	0.89207	1	5.1992	0.34376	0.85452	3	5.1992	0.40021	0.99076	0	NA	NA	NA
glycogenin G11[c]	4	6.1155	0.1241	0.5453	-6.116	0.86378	1	4.921	0.47364	0.92489	4	4.921	0.55922	0.99076	0	NA	NA	NA
glycogen[c]	3	2.4453	0.42923	0.9312	-2.4453	0.58799	1	5.0029	0.37167	0.85654	2	4.5105	0.38369	0.98993	1	2.2865	0.44281	0.95692
glycogenin G4G7[c]	4	0.99073	0.62788	0.99999	-0.99073	0.416	1	4.8012	0.49176	0.93874	3	3.1073	0.71244	0.99076	1	4.2205	0.18865	0.7212
glycogenin G4G4[c];glycogenin G7[c]	4	1.4166	0.5805	0.99999	-1.4166	0.45885	1	5.3006	0.41674	0.8823	3	3.6839	0.6317	0.99076	1	4.2205	0.18865	0.7212
maltodecaose[c];maltononaose[c];maltodecaose[s];maltononaose[s];maltoheptaose[c];maltoheptaose[s];maltohexaose[c];maltohexaose[s];maltopentaose[c];maltopentaose[s];maltotetraose[c];maltotetraose[s];maltotriose[s]	3	1.4574	0.54475	0.99999	-1.4574	0.48557	1	0.8138	0.89779	0.98725	2	1.415	0.8126	0.99076	1	-0.59162	0.83045	0.96952
fructose[c]	19	4.1765	0.55016	0.99999	-4.1766	0.52105	1	9.8957	0.56344	0.96238	13	8.4472	0.65257	0.99076	6	5.1755	0.42702	0.95692
maltotriose[c]	4	-1.5306	0.85427	0.99999	1.5306	0.19589	0.82529	3.4367	0.69054	0.97978	2	1.415	0.8126	0.99076	2	3.4452	0.38972	0.92837
maltose[c]	5	-3.3465	0.95152	0.99999	3.3465	0.084507	0.6175	4.9833	0.54805	0.9571	2	1.415	0.8126	0.99076	3	5.278	0.22224	0.80232
H2O[l]	83	2.6864	0.97871	0.99999	-2.6235	0.073449	0.56718	18.099	0.90793	0.98725	47	13.362	0.9629	0.99076	36	12.215	0.39157	0.92837
glucose[l]	3	-0.10588	0.71651	0.99999	0.10588	0.32805	0.97846	5.2586	0.33547	0.84884	1	4.7219	0.20389	0.81349	2	3.1015	0.44056	0.95692
UDP-galactose[c]	58	22.361	1.4624e-05	0.0013554	-21.802	0.99994	1	20.477	0.17858	0.6511	47	23.361	0.019289	0.22492	11	-1.2681	0.99805	0.99945
galactose[c]	15	5.9172	0.29413	0.83408	-4.5932	0.61151	1	10.054	0.36332	0.85452	9	11.061	0.10736	0.58614	6	2.3501	0.81572	0.9676
alpha-D-galactose-1-phosphate[c]	3	0.56988	0.64566	0.99999	-0.56988	0.39418	1	1.6144	0.83246	0.9838	2	1.1579	0.83788	0.99076	1	1.1587	0.61298	0.9673
galactose-1-phosphate[c]	4	0.44836	0.68545	0.99999	-0.44836	0.3629	1	0.66754	0.93927	0.98796	2	1.1579	0.83788	0.99076	2	-0.2139	0.86639	0.97052
sucrose[s]	2	-4.734	0.96598	0.99999	4.734	0.063674	0.5376	4.3026	0.35729	0.85452	0	NA	NA	NA	2	4.3026	0.27237	0.83213
fructose[s]	7	-2.9941	0.95453	0.99999	2.994	0.081937	0.60373	7.9801	0.25714	0.77413	2	5.6129	0.23662	0.85023	5	5.8922	0.26189	0.82667
lactose[s];3-keto-beta-D-galactose[s];3-ketolactose[s];LacCer pool[s];lactose-6-phosphate[s]	3	3.4467	0.31809	0.85027	-3.4467	0.68597	1	1.8092	0.81319	0.98376	2	3.7926	0.49147	0.99076	1	-2.23	0.94318	0.97887
galactose[s]	11	4.8307	0.34124	0.85825	-3.2848	0.53783	1	10.399	0.16772	0.63972	7	10.068	0.11496	0.60377	4	3.9264	0.4853	0.96722
galactosylglycerol[s]	3	3.3427	0.32909	0.85656	-3.3427	0.67625	1	2.7108	0.70749	0.97978	3	2.7108	0.76259	0.99076	0	NA	NA	NA
glycerol[s]	5	3.8778	0.32654	0.85656	-3.8778	0.68522	1	2.9858	0.8105	0.98376	5	2.9858	0.86757	0.99076	0	NA	NA	NA
CDP[c]	18	18.104	3.2113e-05	0.0026454	-16.759	0.99959	1	18.044	0.0012273	0.065492	16	18.831	0.0006102	0.032341	2	0.87038	0.75733	0.9673
tagatose-1,6-bisphosphate[c]	3	7.2046	0.057168	0.39051	-7.061	0.92369	1	6.6435	0.17037	0.63972	3	6.6435	0.20771	0.81349	0	NA	NA	NA
CTP[c]	62	23.275	6.5393e-06	0.00098094	-22.553	0.99996	1	23.533	0.030417	0.31813	52	24.934	0.0098377	0.17163	10	1.7398	0.95204	0.98284
D-tagatose-6-phosphate[c]	7	10.898	0.0088956	0.1284	-10.804	0.98508	1	10.172	0.068466	0.44003	7	10.172	0.10739	0.58614	0	NA	NA	NA
ITP[c]	17	12.594	0.0071905	0.11107	-11.911	0.98372	1	15.386	0.0146	0.22711	14	15.028	0.021791	0.22492	3	4.1628	0.36871	0.91745
IDP[c]	16	12.146	0.0098904	0.13799	-11.443	0.97891	1	15.074	0.016478	0.23093	13	14.724	0.020472	0.22492	3	4.1628	0.36871	0.91745
glucose[g]	3	14.177	0.00014122	0.0079259	-11.206	0.99405	1	13.975	8.9584e-05	0.012135	3	13.975	0.00012373	0.01399	0	NA	NA	NA
UDP-galactose[g]	55	22.693	6.6844e-06	0.00098094	-22.12	0.99996	1	20.887	0.096946	0.51734	46	23.338	0.016706	0.217	9	-1.1289	0.99586	0.99945
lactose[g]	2	7.9322	0.029123	0.28492	-7.9194	0.95529	1	7.7219	0.047652	0.37271	2	7.7219	0.063823	0.44704	0	NA	NA	NA
UDP[g]	98	24.584	1.9298e-05	0.0016992	-23.828	0.99994	1	31.097	0.0017606	0.0795	72	32.072	6.9915e-05	0.01078	26	7.0012	0.85145	0.96952
glyceraldehyde[c]	18	5.8362	0.33928	0.85825	-5.8361	0.70342	1	14.584	0.042646	0.34962	11	13.142	0.044645	0.35458	7	6.9124	0.24292	0.81031
galactose[l]	9	2.0623	0.62302	0.99999	-2.0623	0.43567	1	4.4224	0.84535	0.9838	6	3.5211	0.86998	0.99076	3	2.6802	0.59313	0.9673
galactitol[c];4-methylpentan-1-ol[c]	2	5.4493	0.12203	0.53992	-5.4489	0.85751	1	5.1771	0.24234	0.75796	1	7.9566	0.018177	0.22178	1	-0.63506	0.83461	0.96952
fructose-2,6-bisphosphate[c]	5	0.37845	0.71641	0.99999	-0.37845	0.33815	0.98975	1.4797	0.92675	0.98796	2	2.3359	0.70385	0.99076	3	0.0030844	0.89731	0.97155
fructose-1-phosphate[c];D-xylulose-1-phosphate[c]	4	8.178	0.039991	0.33535	-8.178	0.94784	1	7.7022	0.13093	0.58243	4	7.7022	0.17528	0.75071	0	NA	NA	NA
D-glucitol[c]	14	14.211	0.0013593	0.038467	-14.211	0.99737	1	13.557	0.037011	0.33548	12	14.887	0.012337	0.18681	2	-0.59648	0.89522	0.97155
sorbitol-3-phosphate[c];fructose-3-phosphate[c];D-mannose-1,6-bisphosphate[c];1-deoxy-1-(N6-lysino)-D-fructose[c];fructoselysine-3-phosphate[c];fructoseglycine-ketone-3-phosphate[c];fructoseglycine[c]	5	3.9079	0.32337	0.85249	-3.9079	0.68797	1	3.4533	0.7587	0.97978	4	3.9651	0.69882	0.99076	1	-0.20849	0.7909	0.9673
mannose-1-phosphate[c]	15	5.6697	0.31959	0.85027	-5.6697	0.71273	1	8.5964	0.58367	0.97335	9	9.3295	0.2839	0.91049	6	2.1658	0.83394	0.96952
mannose-6-phosphate[c]	9	3.0871	0.5057	0.9898	-3.0871	0.54101	1	9.5368	0.17363	0.64238	6	7.4865	0.34071	0.9672	3	5.9306	0.15483	0.66304
GDP[c]	52	24.023	6.5978e-07	0.00029047	-23.233	0.99999	1	23.015	0.010349	0.1981	45	24.706	0.0029234	0.079968	7	0.088046	0.97047	0.99115
GDP-mannose[c]	11	8.5423	0.06822	0.41794	-8.5422	0.92564	1	7.0079	0.62434	0.97734	9	8.3721	0.42023	0.99076	2	-1.3251	0.93717	0.97734
GTP[c]	90	19.041	0.0040817	0.074874	-18.468	0.99467	1	27.775	0.022083	0.2818	67	26.569	0.024626	0.24283	23	9.5972	0.42948	0.95692
GDP-4-dehydro-6-deoxy-D-mannose[c]	2	9.5177	0.009155	0.13107	-9.5176	0.98238	1	9.3721	0.010821	0.20404	2	9.3721	0.015609	0.20522	0	NA	NA	NA
GDP-L-fucose[c]	11	12.593	0.003814	0.07222	-12.52	0.99314	1	12.799	0.0308	0.31813	10	12.893	0.040052	0.32502	1	1.676	0.53562	0.9673
L-fucose-1-phosphate[c]	2	2.6564	0.36506	0.88311	-2.6564	0.63978	1	2.1564	0.67426	0.97978	2	2.1564	0.72711	0.99076	0	NA	NA	NA
mannose[c]	7	0.12416	0.78204	0.99999	1.8137	0.13846	0.75377	13.829	0.0019826	0.081274	4	8.934	0.07884	0.49707	3	10.807	0.0019041	0.10057
L-xylulose[c]	3	0.53635	0.64932	0.99999	-0.53635	0.39081	1	2.0293	0.78983	0.97978	2	1.33	0.82122	0.99076	1	1.6339	0.54201	0.9673
xylitol[c]	5	3.8619	0.32821	0.85656	-3.8617	0.68375	1	4.8462	0.56861	0.96467	3	5.6797	0.3301	0.94729	2	0.70629	0.77639	0.9673
D-xylose[c]	4	1.2339	0.60102	0.99999	-1.2336	0.44035	1	5.9043	0.33017	0.84735	1	7.9566	0.018177	0.22178	3	2.224	0.65956	0.9673
D-xylulose-5-phosphate[c]	4	8.086	0.042334	0.34355	-8.086	0.94529	1	7.6714	0.13343	0.58723	4	7.6714	0.17839	0.75071	0	NA	NA	NA
D-xylulose[c]	2	5.2171	0.13638	0.57317	-5.2171	0.84379	1	4.7631	0.29421	0.81208	2	4.7631	0.34739	0.97775	0	NA	NA	NA
L-arabinose[c];L-arabitol[c]	3	2.5748	0.41433	0.92484	-2.5748	0.60112	1	2.0889	0.78322	0.97978	2	3.0074	0.60979	0.99076	1	-0.63506	0.83461	0.96952
ribulose-5-phosphate[c]	4	5.6162	0.15614	0.61742	-5.6162	0.83391	1	4.9551	0.46848	0.92176	3	6.2822	0.25019	0.86808	1	-0.9708	0.86452	0.96952
UMP[c]	21	10.57	0.045844	0.35709	-10.57	0.95232	1	10.018	0.62177	0.97734	15	12.266	0.21513	0.82176	6	-0.65259	0.97983	0.99321
glucuronate[c]	6	-0.99071	0.8536	0.99999	0.99071	0.19908	0.83212	8.4974	0.15767	0.62451	3	5.3171	0.3826	0.98993	3	6.7001	0.094726	0.60846
GSH[c]	73	7.8506	0.63761	0.99999	-6.0013	0.32155	0.97461	23.215	0.12417	0.5729	45	19.35	0.24985	0.86808	28	12.954	0.14203	0.65625
(R)-S-lactoylglutathione[c]	12	-2.1211	0.95409	0.99999	2.1211	0.088163	0.62701	8.7514	0.42107	0.8838	6	4.5605	0.7653	0.99076	6	7.8159	0.11581	0.65625
lactaldehyde[c]	18	1.6509	0.79038	0.99999	-1.6508	0.29343	0.93502	11.378	0.3054	0.82908	9	9.408	0.27371	0.90809	9	6.6828	0.36625	0.91467
propane-1,2-diol[c]	13	0.63227	0.81604	0.99999	-0.63212	0.25524	0.90708	10.898	0.18467	0.66234	6	8.7623	0.18274	0.7615	7	6.7397	0.26384	0.82871
D-lactate[c]	15	4.9229	0.40128	0.91859	-4.9229	0.64372	1	10.335	0.32363	0.83968	9	10.024	0.20053	0.81349	6	4.0646	0.59558	0.9673
ferricytochrome C[m];ferrocytochrome C[m]	27	6.0147	0.4359	0.93894	-3.5005	0.3803	1	9.7189	0.83573	0.9838	22	7.9961	0.95338	0.99076	5	5.812	0.27196	0.83213
malate[m]	6	6.8897	0.10665	0.51594	-6.8897	0.88423	1	6.5164	0.39958	0.87507	5	7.0587	0.31738	0.93576	1	0.17803	0.74596	0.9673
malate[c]	7	3.5475	0.41237	0.92484	-3.5475	0.61703	1	4.6903	0.72624	0.97978	4	5.6049	0.45335	0.99076	3	0.69262	0.84156	0.96952
CO2[c]	73	17.091	0.0088183	0.12834	-15.151	0.97244	1	23.634	0.094218	0.51052	54	23.04	0.071541	0.46847	19	7.4852	0.63264	0.9673
NADP+[m]	105	14.788	0.12085	0.53992	-13.385	0.85756	1	29.434	0.022942	0.28653	67	27.324	0.011977	0.18636	38	12.647	0.37641	0.91745
NADPH[m]	103	14.22	0.15671	0.61742	-12.803	0.82016	1	29.044	0.027681	0.30818	65	26.891	0.013158	0.19073	38	12.647	0.37641	0.91745
OAA[c]	4	4.6979	0.22811	0.74842	-4.6979	0.76886	1	5.5063	0.38654	0.86568	3	5.7909	0.3146	0.93291	1	0.98257	0.63848	0.9673
GTP[m]	16	7.6235	0.15812	0.61742	-6.9821	0.80898	1	11.011	0.28201	0.79884	10	11.976	0.080752	0.4976	6	2.519	0.79798	0.9673
OAA[m]	6	9.0007	0.031459	0.29377	-9.0007	0.95935	1	9.6811	0.073252	0.45301	5	10.104	0.048076	0.37257	1	1.1212	0.61846	0.9673
GDP[m]	21	11.686	0.022017	0.24233	-10.496	0.95039	1	14.558	0.081919	0.47329	14	16.23	0.0065063	0.13295	7	2.2626	0.85637	0.96952
PEP[m]	2	1.0369	0.55191	0.99999	-1.0369	0.47821	1	2.7421	0.59042	0.9749	1	2.7568	0.47638	0.99076	1	1.1212	0.61846	0.9673
HCO3-[m]	8	5.5486	0.2249	0.74726	-5.5488	0.78237	1	10.387	0.0755	0.45935	5	9.8952	0.056779	0.41869	3	4.188	0.36507	0.91331
ADP[m]	223	33.716	5.7182e-08	5.0348e-05	-32.533	1	1	39.532	0.052078	0.38319	163	42.47	0.00029316	0.023676	60	6.2116	0.99953	0.99953
Pi[m]	197	30.586	2.1745e-06	0.00054705	-29.805	0.99999	1	36.609	0.089986	0.50201	146	38.642	0.0030167	0.081212	51	6.5693	0.99639	0.99945
hydroxyacetone[c]	4	3.8034	0.31328	0.84899	-3.8034	0.69376	1	3.2783	0.71141	0.97978	3	4.1521	0.56131	0.99076	1	-0.63506	0.83461	0.96952
acetone[c]	4	8.7952	0.026855	0.27174	-8.7952	0.96263	1	8.469	0.078808	0.46114	4	8.469	0.10898	0.59205	0	NA	NA	NA
D-lactaldehyde[c]	18	-0.54277	0.92624	0.99999	0.54277	0.13389	0.75377	10.452	0.43677	0.90068	9	6.9987	0.62912	0.99076	9	7.7834	0.22303	0.80312
L-lactate[m]	7	5.3389	0.22812	0.74842	-5.3389	0.7765	1	9.3916	0.11701	0.55404	5	8.6443	0.13697	0.65252	2	3.9022	0.32506	0.888
(R)-S-lactoylglutathione[m]	2	0.054645	0.66234	0.99999	-0.054645	0.38024	1	1.5917	0.74756	0.97978	1	1.1718	0.71249	0.99076	1	1.0791	0.62457	0.9673
D-lactate[m]	3	1.9591	0.48595	0.98329	-1.9591	0.5379	1	3.0992	0.65471	0.97978	2	3.0327	0.60608	0.99076	1	1.0791	0.62457	0.9673
GSH[m]	35	3.5326	0.78512	0.99999	-1.1515	0.13787	0.75377	12.615	0.70567	0.97978	19	10.876	0.57965	0.99076	16	6.8061	0.62885	0.9673
propanoyl-CoA[c]	25	9.7373	0.094104	0.48455	-9.4725	0.90134	1	16.263	0.049432	0.37684	15	16.997	0.004479	0.10265	10	4.8966	0.67254	0.9673
propanoate[c]	16	1.0506	0.82332	0.99999	-1.0506	0.25298	0.90708	10.661	0.32887	0.84669	8	8.432	0.35274	0.97794	8	6.6449	0.32019	0.88658
FAD[m];FADH2[m]	32	4.8807	0.61274	0.99999	-2.5713	0.26604	0.90708	9.9877	0.90523	0.98725	23	7.9872	0.96218	0.99076	9	6.0645	0.4579	0.95905
propanoyl-CoA[m]	43	1.6265	0.9436	0.99999	-1.6265	0.12585	0.73384	10.564	0.97121	0.98796	27	6.9124	0.9955	0.99665	16	8.3394	0.39853	0.93011
acrylyl-CoA[m]	9	2.7102	0.54946	0.99999	-2.7102	0.50221	1	3.9775	0.88236	0.98725	6	3.7493	0.85033	0.99076	3	1.5869	0.74427	0.9673
propanoate[m]	9	-3.8911	0.97987	0.99999	3.8911	0.044486	0.45812	6.1197	0.64332	0.97967	3	2.1898	0.82049	0.99076	6	5.9467	0.31576	0.87943
malonyl-CoA[c]	15	4.1499	0.4906	0.98577	-4.1499	0.56699	1	7.25	0.76707	0.97978	10	6.704	0.72979	0.99076	5	3.0765	0.66899	0.9673
malonyl-CoA[m]	4	-0.54938	0.77975	0.99999	0.54938	0.27237	0.91171	3.6055	0.6676	0.97978	2	2.3618	0.70042	0.99076	2	2.7371	0.49554	0.96722
malonyl-CoA[p]	4	1.4785	0.5735	0.99999	-1.4785	0.46513	1	2.251	0.82832	0.9838	2	2.9632	0.61627	0.99076	2	0.22015	0.82758	0.96952
acetyl-CoA[p]	10	-2.4812	0.95583	0.99999	2.4812	0.080404	0.59743	3.9515	0.90905	0.98725	4	1.2164	0.94418	0.99076	6	4.1082	0.58909	0.9673
CO2[p]	4	5.6636	0.15288	0.61465	-5.6639	0.83693	1	4.6314	0.51747	0.95019	2	8.0803	0.048411	0.37257	2	-1.5305	0.94624	0.98083
3-oxopropanoate[m]	3	-1.4488	0.83341	0.99999	1.4488	0.2128	0.84962	4.5042	0.44537	0.90661	2	1.6435	0.78819	0.99076	1	5.4771	0.086424	0.6069
propinol adenylate[c];propinol adenylate[m]	3	-5.7391	0.98714	0.99999	5.7391	0.027456	0.35382	5.3283	0.32584	0.84259	0	NA	NA	NA	3	5.3283	0.21652	0.79199
hydracrylate[m]	2	-2.3023	0.86667	0.99999	2.3023	0.18267	0.81747	5.3379	0.22362	0.7279	1	2.0717	0.58265	0.99076	1	5.4771	0.086424	0.6069
3-hydroxypropionyl-CoA[m]	26	6.2959	0.39164	0.91149	-6.2958	0.66957	1	9.8334	0.80292	0.98237	18	9.2457	0.76679	0.99076	8	3.8588	0.72638	0.9673
3-oxopropionyl-CoA[m];alpha-hydroxyisocaproic acid[c];3alpha,7alpha,12alpha,25-tetrahydroxy-5beta-cholestane-24-one[r];9-cis-4-oxo-13,14-dihydro-retinoate[c]	23	5.4269	0.4624	0.97054	-5.4267	0.60715	1	9.5586	0.7526	0.97978	15	9.0182	0.6787	0.99076	8	3.8588	0.72638	0.9673
AKG[c]	37	21.366	8.7771e-06	0.0011205	-21.051	0.99996	1	21.575	0.0029795	0.098999	33	22.219	0.002759	0.076709	4	1.7967	0.78157	0.9673
FADH2[c]	29	2.8044	0.80027	0.99999	-2.8044	0.29555	0.93502	11.208	0.7275	0.97978	17	9.0024	0.75883	0.99076	12	6.7083	0.49065	0.96722
2-hydroxyglutarate[c]	2	5.1569	0.14028	0.57988	-5.1569	0.84009	1	4.8949	0.27716	0.7962	2	4.8949	0.32897	0.94565	0	NA	NA	NA
FAD[c]	43	7.283	0.46944	0.97138	-7.2636	0.62309	1	16.514	0.34942	0.85452	28	14.417	0.4169	0.99076	15	8.2634	0.37534	0.91745
acetoacetyl-CoA[c]	4	-0.20608	0.74925	0.99999	0.20608	0.30225	0.93578	3.623	0.66518	0.97978	2	2.2547	0.71448	0.99076	2	2.8691	0.47557	0.9652
acetoacetate[c]	8	7.9961	0.07101	0.42389	-7.9961	0.92131	1	10.741	0.058008	0.40536	7	9.7699	0.1387	0.65645	1	4.532	0.15819	0.66304
butyryl-CoA[m]	30	8.3429	0.22823	0.74842	-8.3453	0.80614	1	13.122	0.47374	0.92489	23	11.58	0.65153	0.99076	7	6.1744	0.33818	0.90068
crotonyl-CoA[m]	11	2.1188	0.64807	0.99999	-2.1188	0.41908	1	4.2352	0.91365	0.98725	7	3.6159	0.8996	0.99076	4	2.2398	0.72844	0.9673
(R)-3-hydroxybutanoate[m]	3	1.6009	0.52798	0.99999	-1.6009	0.50055	1	7.7822	0.082779	0.47329	2	5.6711	0.2298	0.83405	1	5.4589	0.087526	0.6069
acetoacetate[m]	8	2.6671	0.53314	0.99999	-2.6671	0.51357	1	9.5479	0.13265	0.58694	6	6.7398	0.45179	0.99076	2	7.4221	0.036703	0.43412
acetoacetyl-CoA[p]	5	-3.2181	0.94763	0.99999	3.2181	0.08974	0.63213	4.4249	0.6304	0.97734	2	0.79559	0.86956	0.99076	3	5.0629	0.24767	0.81457
CoA[p]	33	-1.2427	0.98331	0.99999	1.2427	0.050602	0.4923	9.9565	0.91937	0.98796	17	5.6482	0.97755	0.99076	16	8.4768	0.3784	0.91745
HMG-CoA[p];HMG-CoA[c]	3	-3.8203	0.95211	0.99999	3.8203	0.078183	0.59091	3.3827	0.6141	0.97734	1	-0.68665	0.90104	0.99076	2	4.6285	0.23287	0.81031
2-hydroxybutyrate[c]	9	7.9321	0.080774	0.45289	-7.9321	0.91235	1	10.394	0.10243	0.52345	8	9.4221	0.22283	0.82742	1	4.532	0.15819	0.66304
2-oxobutyrate[c]	13	10.948	0.017786	0.20881	-10.948	0.97725	1	12.792	0.053067	0.38776	12	12.006	0.12975	0.62516	1	4.532	0.15819	0.66304
ribose-5-phosphate[c]	14	7.1767	0.17318	0.65118	-7.1767	0.83539	1	9.4133	0.41892	0.8838	10	9.8248	0.28132	0.91049	4	2.0762	0.74877	0.9673
PRPP[c]	10	13.785	0.0010622	0.031703	-13.198	0.99655	1	13.614	0.0093602	0.18521	9	14.261	0.0066158	0.13358	1	0.26623	0.73504	0.9673
NADP+[r];NADPH[r]	79	5.9979	0.83577	0.99999	-5.9678	0.30027	0.93578	20.82	0.54053	0.9571	44	17.966	0.41411	0.99076	35	11.135	0.52214	0.9673
glucono-1,5-lactone-6-phosphate[r];glucono-1,5-lactone-6-phosphate[c]	3	3.0597	0.35974	0.88109	-3.0597	0.64921	1	1.1976	0.86923	0.98725	3	1.1976	0.90371	0.99076	0	NA	NA	NA
H+[r]	106	3.6903	0.98165	0.99999	-3.6643	0.071847	0.55736	23.882	0.56164	0.96126	59	18.127	0.78758	0.99076	47	15.556	0.16661	0.68544
ribose[c]	6	3.3082	0.42041	0.9301	-3.3082	0.60591	1	4.4692	0.69856	0.97978	4	4.8118	0.57593	0.99076	2	0.93599	0.74947	0.9673
ribulose-5-phosphate[r]	2	4.3078	0.20333	0.69653	-4.3078	0.78187	1	4.001	0.40096	0.87507	2	4.001	0.45975	0.99076	0	NA	NA	NA
ribose-1-phosphate[c]	4	-0.68108	0.79086	0.99999	0.68108	0.26131	0.90708	2.0785	0.84447	0.9838	2	1.0343	0.84921	0.99076	2	1.9051	0.61973	0.9673
2-deoxy-D-ribose-5-phosphate[c]	5	2.4149	0.49108	0.98577	-2.4149	0.54227	1	1.2963	0.93596	0.98796	4	1.9347	0.90512	0.99076	1	-0.9708	0.86452	0.96952
6-phospho-D-gluconate[r]	3	2.5698	0.41489	0.92484	-2.5698	0.60063	1	0.6865	0.90617	0.98725	3	0.6865	0.93342	0.99076	0	NA	NA	NA
6-phospho-D-gluconate[c]	5	-0.1031	0.76202	0.99999	0.1031	0.29414	0.93502	2.3343	0.87019	0.98725	3	0.6865	0.93342	0.99076	2	2.8501	0.47843	0.9652
D-gluconic acid[c]	2	-3.3104	0.92025	0.99999	3.3104	0.12261	0.72528	2.8501	0.57436	0.97068	0	NA	NA	NA	2	2.8501	0.47843	0.9652
sedoheptulose-7-phosphate[c]	6	8.2569	0.050189	0.37135	-8.1554	0.93628	1	7.5361	0.26099	0.77413	6	7.5361	0.33369	0.95436	0	NA	NA	NA
2-deoxy-D-ribose-1-phosphate[c]	5	2.4666	0.48506	0.98295	-2.4666	0.54754	1	1.7275	0.91275	0.98725	4	2.1441	0.89061	0.99076	1	-0.42556	0.81394	0.9673
ribitol[c];methylimidazoleacetic acid[c];phenylacetaldehyde[m];phenylacetate[m];4-hydroxyphenylacetate[c];activated methyl group[c]	4	3.0455	0.39453	0.91149	-3.0455	0.62281	1	4.9898	0.46324	0.92115	3	4.437	0.51735	0.99076	1	2.2945	0.4416	0.95692
deoxyribose[c]	2	1.4231	0.50683	0.99059	-1.4231	0.51743	1	0.68414	0.84434	0.9838	1	1.9383	0.6029	0.99076	1	-0.9708	0.86452	0.96952
NADH[r];NAD+[r]	35	-0.56061	0.97649	0.99999	0.56061	0.062617	0.53528	13.807	0.53194	0.95101	17	9.4316	0.70395	0.99076	18	10.087	0.2209	0.79951
cAMP[c];cGMP[c]	41	-8.2127	0.99999	0.99999	8.2127	0.00017201	0.011336	13.234	0.75891	0.97978	13	5.1074	0.95437	0.99076	28	12.534	0.18052	0.70146
adenosine[c]	23	11.021	0.043966	0.35128	-11.026	0.9545	1	10.593	0.61372	0.97734	21	10.544	0.72017	0.99076	2	1.7554	0.6412	0.9673
AMP[s]	17	13.768	0.0026052	0.058073	-13.767	0.99559	1	12.817	0.11686	0.55404	16	13.213	0.14484	0.67858	1	-0.0048964	0.76784	0.9673
adenosine[s]	16	9.9319	0.046466	0.35889	-9.9371	0.9496	1	10.276	0.38376	0.86369	14	10.322	0.42197	0.99076	2	1.7554	0.6412	0.9673
Pi[s]	45	13.165	0.038329	0.32451	-12.762	0.95702	1	19.218	0.098653	0.51878	33	18.68	0.080978	0.4976	12	6.2371	0.56231	0.9673
adenosine[m]	9	7.334	0.11023	0.52183	-7.334	0.88508	1	6.2238	0.62836	0.97734	9	6.2238	0.73533	0.99076	0	NA	NA	NA
GMP[c]	41	2.2843	0.90392	0.99999	-2.2843	0.18133	0.81747	12.021	0.87708	0.98725	22	9.835	0.83231	0.99076	19	7.076	0.68976	0.9673
IMP[c]	20	14.121	0.0034128	0.068295	-13.848	0.99347	1	13.46	0.13477	0.58891	19	13.447	0.21024	0.81349	1	1.5817	0.54992	0.9673
xanthosine-5-phosphate[c]	12	9.9866	0.032173	0.29508	-9.9866	0.96109	1	8.8543	0.40589	0.87762	12	8.8543	0.53841	0.99076	0	NA	NA	NA
aspartate[c]	26	16.891	0.00035216	0.013481	-16.191	0.99864	1	22.036	8.3844e-05	0.012135	20	22.208	2.377e-05	0.006719	6	5.325	0.40467	0.94135
adenylosuccinate[c]	4	6.9405	0.081782	0.45289	-6.9405	0.90458	1	6.1994	0.29065	0.80604	4	6.1994	0.36369	0.98624	0	NA	NA	NA
glutamine[c]	38	19.001	0.00013824	0.0079259	-18.475	0.99956	1	19.42	0.033117	0.32581	32	20.031	0.021421	0.22492	6	2.613	0.78768	0.9673
glutamate[c]	62	23.274	6.5501e-06	0.00098094	-22.797	0.99997	1	26.406	0.0014604	0.071437	50	26.891	0.00060654	0.032341	12	5.1294	0.71925	0.9673
NH3[c]	57	14.291	0.035578	0.31016	-10.831	0.84381	1	23.618	0.013704	0.22554	41	21.853	0.024595	0.24283	16	9.5946	0.2306	0.81031
adenine[c]	6	5.1214	0.23292	0.75124	-5.1214	0.76985	1	4.1747	0.73621	0.97978	6	4.1747	0.80866	0.99076	0	NA	NA	NA
PPi[s]	2	5.3145	0.13023	0.5602	-5.3145	0.84966	1	5.0612	0.25634	0.77413	2	5.0612	0.30631	0.9323	0	NA	NA	NA
adenine[s]	2	4.507	0.1872	0.67416	-4.507	0.79652	1	4.191	0.37326	0.85654	2	4.191	0.43106	0.99076	0	NA	NA	NA
GDP[s];GTP[s]	19	13.636	0.0042957	0.077146	-13.016	0.98978	1	15.458	0.026042	0.30818	15	16.186	0.010702	0.17452	4	2.3447	0.71497	0.9673
GMP[s]	16	13.148	0.004337	0.077146	-13.146	0.99331	1	12.208	0.15027	0.61319	15	12.61	0.17848	0.75071	1	-0.0048964	0.76784	0.9673
ITP[s];CDP[s];CTP[s]	3	4.0302	0.25954	0.79311	-4.0302	0.73799	1	4.0205	0.51872	0.95019	2	4.9276	0.32446	0.94139	1	-0.0048964	0.76784	0.9673
IDP[s];UDP[s];IMP[s]	8	11.529	0.0062643	0.10241	-11.526	0.99005	1	11.268	0.038041	0.33548	7	12.048	0.024891	0.24369	1	-0.0048964	0.76784	0.9673
5-phosphoribosylamine[c]	2	12.181	0.00084156	0.026464	-10.87	0.99286	1	12.065	0.00044667	0.035754	2	12.065	0.00072732	0.035244	0	NA	NA	NA
fumarate[c]	7	5.3659	0.22575	0.74728	-5.3659	0.77858	1	4.8215	0.70935	0.97978	6	5.1352	0.69172	0.99076	1	0.17803	0.74596	0.9673
inosine[c]	16	8.1909	0.12123	0.53992	-8.1909	0.88255	1	8.4366	0.65858	0.97978	14	8.3556	0.7137	0.99076	2	1.7554	0.6412	0.9673
hypoxanthine[c]	5	9.314	0.02084	0.23525	-9.0043	0.96412	1	8.7685	0.093825	0.51052	5	8.7685	0.12662	0.62516	0	NA	NA	NA
dADP[c]	31	12.181	0.034111	0.30647	-10.977	0.93523	1	17.494	0.048519	0.37415	21	18.011	0.010659	0.17452	10	4.7016	0.69922	0.9673
dATP[c]	42	18.919	0.00022474	0.011858	-18.055	0.99914	1	20.824	0.019042	0.25995	32	22.738	0.0010151	0.047823	10	2.0032	0.94101	0.97734
guanosine[c]	14	8.4978	0.092116	0.48135	-8.4978	0.90602	1	7.0442	0.75795	0.97978	14	7.0442	0.85809	0.99076	0	NA	NA	NA
guanosine[s]	12	8.7185	0.069506	0.41794	-8.7185	0.92466	1	7.5291	0.60413	0.97734	12	7.5291	0.72943	0.99076	0	NA	NA	NA
guanine[c]	7	6.7395	0.12417	0.5453	-6.7395	0.86912	1	5.9382	0.5501	0.9571	7	5.9382	0.65048	0.99076	0	NA	NA	NA
dAMP[c]	25	7.713	0.23415	0.75243	-7.4632	0.77962	1	10.859	0.65227	0.97978	18	10.681	0.56862	0.99076	7	3.3939	0.7375	0.9673
inosine[s]	7	4.3992	0.31904	0.85027	-4.3992	0.69766	1	6.094	0.52653	0.95019	5	6.1004	0.45981	0.99076	2	1.7554	0.6412	0.9673
NH3[s]	9	2.44	0.5805	0.99999	1.9146	0.11703	0.71797	11.751	0.036985	0.33548	5	9.4706	0.078297	0.49549	4	7.0374	0.11001	0.63769
glucosamine[c]	7	5.6945	0.19795	0.6911	-3.7566	0.63746	1	9.5329	0.10676	0.53108	6	7.6893	0.31237	0.93291	1	6.3868	0.043565	0.44597
glucosamine-6-phosphate[c]	11	5.8794	0.23754	0.75506	-5.778	0.76875	1	9.3384	0.28675	0.80348	7	9.597	0.15394	0.70024	4	2.7904	0.65452	0.9673
xanthine[c]	3	7.164	0.05855	0.39353	-6.7641	0.91192	1	6.688	0.16612	0.63963	3	6.688	0.2028	0.81349	0	NA	NA	NA
H2O2[c]	70	3.8099	0.93106	0.99999	0.96784	0.012885	0.2203	24.557	0.035852	0.33405	43	17.389	0.47396	0.99076	27	17.596	0.0016539	0.091828
dGDP[c]	16	17.665	3.8888e-05	0.0029774	-15.69	0.99914	1	17.501	0.0011002	0.060548	13	19.483	4.9786e-05	0.0093818	3	-0.13992	0.90682	0.97155
dGTP[c]	38	21.188	9.6067e-06	0.0011205	-19.883	0.99989	1	21.361	0.004985	0.13301	29	24.462	3.4128e-05	0.0077322	9	-0.017418	0.98667	0.99607
deoxyguanosine[c]	15	9.3849	0.059694	0.39818	-9.3849	0.9359	1	8.0651	0.66117	0.97978	15	8.0651	0.79721	0.99076	0	NA	NA	NA
dGMP[c]	13	7.8369	0.11578	0.53515	-7.8369	0.88461	1	6.9732	0.72277	0.97978	12	7.1839	0.77191	0.99076	1	0.2562	0.7363	0.9673
thioredoxin[c];oxidized thioredoxin[c]	8	8.5182	0.052581	0.37949	-7.4966	0.90054	1	10.579	0.065603	0.43631	5	12.206	0.0064866	0.13295	3	1.517	0.75284	0.9673
dCTP[c]	36	19.088	8.3264e-05	0.0054306	-18.154	0.9995	1	19.296	0.02681	0.30818	27	22.292	0.0004139	0.02968	9	-0.017418	0.98667	0.99607
dUTP[c]	15	15.668	0.00033919	0.013274	-14.259	0.99729	1	15.581	0.0066513	0.15212	11	18.446	8.9513e-05	0.011446	4	-0.41691	0.94781	0.98083
dCDP[c]	15	15.836	0.00028291	0.012647	-14.428	0.99763	1	15.743	0.0055787	0.14238	12	17.671	0.00043766	0.02968	3	-0.13992	0.90682	0.97155
dUDP[c]	17	16.101	0.00024978	0.011888	-14.778	0.99802	1	15.732	0.010334	0.1981	12	19.315	3.6472e-05	0.0077322	5	-0.91521	0.97504	0.99321
deoxyadenosine[c]	15	8.2929	0.10797	0.51948	-8.2929	0.89235	1	7.9981	0.67055	0.97978	14	7.8241	0.77934	0.99076	1	1.7016	0.53174	0.9673
urate[c]	7	5.5613	0.20896	0.71038	-5.2996	0.77345	1	5.4756	0.61876	0.97734	6	5.3928	0.65575	0.99076	1	1.2774	0.59551	0.9673
O2[p]	25	-0.8035	0.96076	0.99999	6.1676	0.003021	0.083125	15.479	0.087864	0.49537	13	9.7553	0.45403	0.99076	12	12.188	0.017011	0.31503
xanthosine[c];nicotinate D-ribonucleoside[c]	9	7.0415	0.12716	0.5529	-7.0415	0.86974	1	5.8743	0.67768	0.97978	9	5.8743	0.77759	0.99076	0	NA	NA	NA
deoxyinosine[c]	9	6.0252	0.19954	0.69306	-6.0252	0.80578	1	6.4811	0.59061	0.9749	8	6.2726	0.67766	0.99076	1	1.7016	0.53174	0.9673
glycine[c]	49	13.553	0.035954	0.31189	-13.321	0.96468	1	15.344	0.6725	0.97978	36	16.167	0.4338	0.99076	13	2.8868	0.93667	0.97734
5-phosphoribosylformylglycinamidine[c];N-formyl-GAR[c]	2	8.1736	0.024724	0.25916	-8.1736	0.96107	1	7.9979	0.038101	0.33548	2	7.9979	0.051663	0.39116	0	NA	NA	NA
AIR[c]	2	13.351	0.00024625	0.011888	-10.87	0.99286	1	13.242	8.1424e-05	0.012135	2	13.242	0.00013969	0.014807	0	NA	NA	NA
SAICAR[c]	3	8.4397	0.026038	0.26815	-6.4133	0.89632	1	7.6936	0.088048	0.49537	3	7.6936	0.11073	0.59222	0	NA	NA	NA
AICAR[c]	3	7.1186	0.060128	0.39878	-6.4133	0.89632	1	6.3644	0.19869	0.68987	3	6.3644	0.24014	0.85649	0	NA	NA	NA
10-formyl-THF[c]	7	11.596	0.0050295	0.087692	-11.134	0.98801	1	10.188	0.067663	0.43646	7	10.188	0.10625	0.58614	0	NA	NA	NA
THF[c]	14	9.8613	0.042136	0.34355	-9.5348	0.94344	1	11.342	0.17341	0.64238	12	10.561	0.2856	0.91049	2	4.1391	0.29337	0.84684
uridine[c]	13	7.5296	0.13416	0.56657	-7.5295	0.86846	1	7.1365	0.70166	0.97978	9	8.9072	0.3416	0.9672	4	-0.4954	0.95094	0.98284
urea[c]	8	0.046409	0.80127	0.99999	-0.046409	0.25959	0.90708	7.4491	0.37875	0.8596	6	3.8754	0.83866	0.99076	2	8.1858	0.018748	0.31942
alloxan[c];alloxan[s];hypochlorite[c];nitrite[c];nitryl-chloride[c]	4	3.6159	0.33272	0.85656	-3.6159	0.67675	1	2.6594	0.78595	0.97978	4	2.6594	0.84831	0.99076	0	NA	NA	NA
H2O2[s]	18	3.477	0.60816	0.99999	2.7023	0.048031	0.48059	15.324	0.022719	0.28577	12	11.021	0.22815	0.83191	6	10.957	0.0081931	0.23791
urate[s]	6	2.3726	0.52862	0.99999	-2.3726	0.5105	1	2.3115	0.90935	0.98725	5	1.9609	0.93513	0.99076	1	1.2774	0.59551	0.9673
urea[s]	7	-0.85703	0.85676	0.99999	0.85703	0.20042	0.83241	7.1571	0.36747	0.85452	5	3.2912	0.84032	0.99076	2	8.1858	0.018748	0.31942
ADP-ribose[c]	7	-1.9836	0.91851	0.99999	1.9836	0.129	0.74481	9.5054	0.1087	0.5321	3	5.9224	0.29667	0.93225	4	7.4455	0.083403	0.6068
dATP[m];dUDP[m];dTDP[m]	9	11.673	0.0063543	0.1025	-10.818	0.9822	1	11.699	0.038608	0.338	7	13.287	0.0073805	0.14388	2	-0.04124	0.85174	0.96952
dADP[m]	13	15.767	0.00022894	0.011858	-14.254	0.99783	1	15.807	0.0028958	0.098067	10	18.099	9.3161e-05	0.011446	3	-0.13992	0.90682	0.97155
dGTP[m]	9	9.4976	0.031668	0.29377	-8.6425	0.9381	1	9.7913	0.14981	0.61319	6	12.012	0.01521	0.20153	3	-0.029172	0.89951	0.97155
dGDP[m]	13	13.957	0.0014532	0.038568	-12.444	0.99147	1	14.219	0.01549	0.22865	9	17.168	0.00015866	0.015829	4	-0.11727	0.9344	0.97616
CTP[m]	9	9.5517	0.030561	0.29091	-8.6966	0.93979	1	9.8013	0.14892	0.61319	6	12.012	0.01521	0.20153	3	-0.011881	0.89834	0.97155
CDP[m]	8	10.258	0.016716	0.20011	-9.351	0.9612	1	10.599	0.064603	0.43631	6	12.012	0.01521	0.20153	2	0.39221	0.81039	0.9673
dUTP[m]	14	14.486	0.0010415	0.031623	-13.028	0.99354	1	14.216	0.020779	0.27308	10	17.28	0.0003081	0.023752	4	-0.7275	0.95931	0.98432
dTTP[c]	32	16.933	0.00074982	0.025393	-16.454	0.99815	1	17.169	0.076431	0.45937	24	19.798	0.0038522	0.096229	8	0.046586	0.98053	0.99321
dTDP[c]	10	12.792	0.0027109	0.059673	-11.981	0.99141	1	12.777	0.021081	0.27499	8	14.306	0.0039019	0.096229	2	-0.04124	0.85174	0.96952
dTTP[m]	8	10.314	0.01605	0.1936	-9.407	0.9624	1	10.382	0.075772	0.45935	6	12.012	0.01521	0.20153	2	-0.04124	0.85174	0.96952
dADP[n];dATP[n]	9	12.483	0.0031846	0.065763	-11.628	0.98957	1	12.88	0.013249	0.22554	8	13.161	0.013364	0.19207	1	1.4149	0.57503	0.9673
dTTP[n];dIDP[c]	7	11.059	0.0078248	0.11724	-10.09	0.97658	1	11.656	0.020032	0.26725	6	12.012	0.01521	0.20153	1	1.4149	0.57503	0.9673
dTDP[n]	8	12.412	0.0029425	0.063193	-11.505	0.9899	1	12.93	0.0079502	0.17284	7	13.287	0.0073805	0.14388	1	1.4149	0.57503	0.9673
2-methyl-3-oxopropanoate[m]	11	3.0578	0.54255	0.99999	-3.0578	0.51464	1	8.5662	0.39305	0.8721	8	6.5289	0.64116	0.99076	3	5.7414	0.17282	0.6884
alanine[m]	4	6.0372	0.12879	0.55724	-4.0701	0.71725	1	5.752	0.35136	0.85452	3	6.436	0.23157	0.83562	1	0.35664	0.72361	0.9673
HCO3-[c]	37	4.0154	0.75667	0.99999	-1.8455	0.17584	0.81747	17.073	0.15142	0.61328	23	12.828	0.46311	0.99076	14	11.314	0.057459	0.51859
dTMP[c]	14	13.316	0.0031073	0.065763	-12.471	0.99041	1	12.601	0.077561	0.46114	13	13.006	0.084199	0.51184	1	0.2562	0.7363	0.9673
thymidine[c]	15	10.476	0.030266	0.29091	-9.8442	0.94949	1	9.0261	0.51834	0.95019	15	9.0261	0.6776	0.99076	0	NA	NA	NA
UDP[r]	74	25.715	6.3239e-07	0.00029047	-25.219	1	1	25.125	0.033683	0.32689	61	27.414	0.0040052	0.09704	13	0.56258	0.99202	0.99903
UMP[r]	11	13.324	0.0019831	0.049187	-13.322	0.99621	1	12.457	0.040929	0.34962	9	14.418	0.0055746	0.12279	2	-1.3721	0.93935	0.97734
UMP[s]	11	13.166	0.0022938	0.05382	-13.163	0.99573	1	12.779	0.031315	0.31846	10	13.404	0.025878	0.24618	1	-0.0048964	0.76784	0.9673
CMP[c]	38	2.3821	0.88615	0.99999	-2.3826	0.20316	0.83589	14.245	0.55414	0.9571	21	11.267	0.61935	0.99076	17	8.7743	0.37351	0.91745
cytidine[c]	23	10.097	0.074915	0.43975	-10.097	0.92715	1	9.0288	0.81176	0.98376	19	10.111	0.69154	0.99076	4	-0.38687	0.94658	0.98083
CMP[s]	11	8.1299	0.085473	0.46456	-8.1299	0.9096	1	7.2134	0.59457	0.9749	10	7.567	0.61134	0.99076	1	-0.0048964	0.76784	0.9673
cytidine[s]	11	7.8242	0.10024	0.50408	-7.8242	0.89613	1	6.6295	0.67714	0.97978	11	6.6295	0.79236	0.99076	0	NA	NA	NA
UTP[s]	4	5.1599	0.18981	0.68216	-5.1599	0.80321	1	5.0527	0.45377	0.91237	3	5.8372	0.30823	0.9323	1	-0.0048964	0.76784	0.9673
uracil[c]	5	1.1296	0.63792	0.99999	-1.1296	0.41124	1	3.3702	0.76843	0.97978	2	4.0032	0.45942	0.99076	3	1.0823	0.80257	0.9673
5,6-Dihydrouracil[c]	4	-5.027	0.98055	0.99999	5.027	0.04008	0.42776	6.2218	0.28775	0.80348	1	1.3244	0.69181	0.99076	3	6.4197	0.11425	0.65431
3-ureidopropionate[c]	4	-4.5966	0.97387	0.99999	4.5966	0.050525	0.4923	5.7279	0.35477	0.85452	1	1.3244	0.69181	0.99076	3	5.8494	0.1624	0.67715
thymine[c]	4	1.7016	0.54808	0.99999	-1.7016	0.48784	1	3.3563	0.70121	0.97978	3	2.7013	0.76374	0.99076	1	2.0339	0.48112	0.9652
dihydrothymine[c]	2	-3.5316	0.92945	0.99999	3.5316	0.11154	0.70912	3.1675	0.52655	0.95019	0	NA	NA	NA	2	3.1675	0.43069	0.95692
dTMP[m]	10	7.9535	0.086926	0.46956	-7.9535	0.90803	1	7.178	0.54145	0.9571	9	7.5637	0.54426	0.99076	1	0.0077954	0.76635	0.9673
thymidine[m]	10	6.7428	0.15759	0.61742	-6.7428	0.8442	1	5.9069	0.72206	0.97978	9	6.2238	0.73533	0.99076	1	0.0077954	0.76635	0.9673
dCMP[c]	16	9.6986	0.053524	0.38168	-9.6986	0.94284	1	8.779	0.6093	0.97734	15	9.0008	0.6811	0.99076	1	0.2562	0.7363	0.9673
deoxycytidine[c]	14	8.5428	0.089961	0.47828	-8.5428	0.90796	1	7.3788	0.71634	0.97978	13	7.752	0.74606	0.99076	1	-0.34146	0.8052	0.9673
deoxyuridine[c]	10	9.2305	0.041378	0.3421	-8.4573	0.92794	1	8.6729	0.32054	0.83873	8	9.9678	0.16485	0.72432	2	-0.54237	0.89144	0.97155
orotate[c]	2	3.2347	0.30337	0.83867	-3.2347	0.69328	1	2.4717	0.62992	0.97734	2	2.4717	0.68566	0.99076	0	NA	NA	NA
(S)-dihydroorotate[c]	2	5.3757	0.12646	0.55121	-5.3757	0.85327	1	4.6587	0.30807	0.82908	2	4.6587	0.36225	0.98624	0	NA	NA	NA
ubiquinone[m]	63	12.618	0.10912	0.52075	-12.618	0.91766	1	11.359	0.99743	0.99818	48	12.995	0.97784	0.99076	15	0.032331	0.99762	0.99945
ubiquinol[m]	64	12.691	0.10415	0.50947	-12.691	0.92248	1	11.39	0.99769	0.99818	49	12.999	0.98103	0.99076	15	0.032331	0.99762	0.99945
dUMP[c]	7	12.129	0.0031717	0.065763	-10.934	0.9863	1	11.302	0.027548	0.30818	6	12.703	0.0075068	0.14468	1	-1.2127	0.88362	0.97155
dUMP[m]	6	5.1392	0.23134	0.75027	-5.1392	0.77124	1	4.6057	0.68033	0.97978	4	6.2432	0.35731	0.98014	2	-0.85197	0.91178	0.97296
5,10-methylene-THF[c]	4	6.2363	0.11709	0.53589	-5.8779	0.85004	1	9.4997	0.035582	0.33405	3	8.9795	0.042479	0.34307	1	3.4465	0.27855	0.83274
dihydrofolate[c]	4	8.8746	0.025462	0.26531	-8.5163	0.95644	1	7.9947	0.10878	0.5321	4	7.9947	0.14747	0.68451	0	NA	NA	NA
3-ureidoisobutyrate[c]	2	-2.9229	0.90199	0.99999	2.9229	0.14382	0.75377	2.469	0.6303	0.97734	0	NA	NA	NA	2	2.469	0.53611	0.9673
mitooxidized thioredoxin[m];mitothioredoxin[m];oxidized thioredoxin[m];thioredoxin[m]	7	10.232	0.014808	0.18109	-9.14	0.95928	1	10.266	0.063835	0.43571	5	12.206	0.0064866	0.13295	2	-0.093211	0.85626	0.96952
UTP[m]	5	13.463	0.0005812	0.02047	-12.142	0.99544	1	13.454	0.00097373	0.055314	4	15.135	6.506e-05	0.01078	1	-0.18402	0.7882	0.9673
thioredoxin[n];oxidized thioredoxin[n]	4	10.915	0.0055149	0.093382	-9.4702	0.97468	1	10.947	0.0092853	0.18521	3	12.747	0.00071747	0.035244	1	-0.18402	0.7882	0.9673
UTP[n]	32	22.368	1.0929e-06	0.00038491	-21.359	0.99998	1	21.564	0.00094475	0.055314	30	22.236	0.0013319	0.053365	2	0.13488	0.83573	0.96952
dUTP[n]	6	13.227	0.00099603	0.030772	-11.026	0.98833	1	12.79	0.0042896	0.11803	4	16.363	8.3777e-06	0.0047362	2	-0.9876	0.91974	0.97296
H2O[n]	45	-1.4263	0.994	0.99999	1.8571	0.019254	0.28492	12.537	0.89769	0.98725	19	9.1346	0.81127	0.99076	26	8.6843	0.65413	0.9673
deoxyuridine[m]	3	2.0458	0.47578	0.97765	-2.0458	0.5469	1	2.0911	0.78297	0.97978	2	2.5555	0.6742	0.99076	1	0.0077954	0.76635	0.9673
ADP[s]	4	5.6945	0.15078	0.60899	-5.6945	0.83885	1	5.6099	0.37158	0.85654	3	6.4805	0.22632	0.82745	1	-0.0048964	0.76784	0.9673
CMP[m]	3	-1.7292	0.8532	0.99999	1.7292	0.19211	0.82355	0.58598	0.91243	0.98725	0	NA	NA	NA	3	0.58598	0.85128	0.96952
sulfate[c]	14	1.903	0.72571	0.99999	-1.903	0.34998	1	8.19	0.60346	0.97734	8	6.5142	0.6433	0.99076	6	4.9885	0.4553	0.95692
adenylyl sulfate[c]	4	-2.0667	0.88683	0.99999	2.0667	0.16027	0.8018	8.2368	0.092591	0.5077	2	4.2987	0.41494	0.99076	2	7.3499	0.038961	0.43412
PAPS[c]	37	1.3141	0.92955	0.99999	-1.3138	0.1432	0.75377	16.1	0.25515	0.77413	19	12.63	0.31357	0.93291	18	10.106	0.21872	0.79566
deoxyguanosine[m]	3	3.9534	0.26692	0.7984	-3.9534	0.7314	1	3.4692	0.60143	0.97734	3	3.4692	0.66269	0.99076	0	NA	NA	NA
DNA[c]	30	14.86	0.0039406	0.073824	-14.833	0.9944	1	15.757	0.14204	0.60294	22	17.979	0.013761	0.19612	8	0.69888	0.9652	0.98735
RNA[c]	40	15.89	0.0040502	0.074874	-15.892	0.99506	1	16.21	0.32376	0.83968	34	16.797	0.28518	0.91049	6	1.8687	0.86076	0.96952
adenosine[l];uridine[l];cytidine[l];guanosine[l]	2	3.2128	0.30561	0.83961	-3.2128	0.69133	1	2.5031	0.62539	0.97734	2	2.5031	0.68139	0.99076	0	NA	NA	NA
Pi[l]	21	1.9434	0.79998	0.99999	-1.9434	0.28329	0.92588	8.0728	0.85073	0.98551	10	7.6529	0.59872	0.99076	11	3.8574	0.82832	0.96952
UMP[m]	2	1.6175	0.48406	0.98295	-1.6175	0.53714	1	1.0046	0.81337	0.98376	1	2.281	0.55047	0.99076	1	-0.86025	0.85511	0.96952
uridine[m]	2	3.2193	0.30495	0.83961	-3.2193	0.69191	1	2.823	0.57842	0.97335	2	2.823	0.63657	0.99076	0	NA	NA	NA
thymidine[l]	2	1.5143	0.49615	0.98706	-1.5143	0.52669	1	0.66871	0.84574	0.9838	2	0.66871	0.87956	0.99076	0	NA	NA	NA
CDP[n];GDP[n];dCDP[n];dCTP[n];dGDP[n];dGTP[n]	2	9.2288	0.011469	0.15185	-7.4601	0.94312	1	8.9915	0.015714	0.22865	2	8.9915	0.02228	0.22492	0	NA	NA	NA
UDP[n]	3	8.3942	0.026859	0.27174	-6.95	0.91944	1	7.9735	0.072207	0.44931	3	7.9735	0.091513	0.54079	0	NA	NA	NA
CTP[n]	3	10.047	0.0078562	0.11724	-8.6028	0.96666	1	9.7641	0.0161	0.22865	3	9.7641	0.021298	0.22492	0	NA	NA	NA
GTP[n]	3	8.2443	0.029715	0.28911	-6.8002	0.91342	1	7.7885	0.082411	0.47329	3	7.7885	0.10391	0.58165	0	NA	NA	NA
UDP[m]	2	5.6756	0.1091	0.52075	-5.6306	0.86768	1	5.183	0.24164	0.75796	1	8.1901	0.014471	0.20153	1	-0.86025	0.85511	0.96952
ADP[n]	6	10.35	0.012131	0.15824	-9.3287	0.96624	1	9.8265	0.065904	0.43631	6	9.8265	0.093852	0.54472	0	NA	NA	NA
ATP[n]	8	9.1817	0.034877	0.30869	-8.2974	0.93215	1	8.0265	0.29796	0.81602	7	9.1211	0.20136	0.81349	1	-1.4296	0.89905	0.97155
dITP[c]	8	11.526	0.0062809	0.10241	-10.619	0.98183	1	12.014	0.019698	0.26684	7	12.309	0.019602	0.22492	1	1.4149	0.57503	0.9673
dIMP[c]	2	3.5553	0.2713	0.80162	-3.5553	0.72135	1	3.164	0.52708	0.95019	2	3.164	0.58664	0.99076	0	NA	NA	NA
dCTP[m];dCDP[m]	2	5.7876	0.10308	0.50703	-5.7426	0.87369	1	4.7496	0.29599	0.8133	1	8.1901	0.014471	0.20153	1	-1.4732	0.90197	0.97155
cGMP[n];GMP[n];cGMP[g];cAMP[g];AMP[g]	22	-6.0519	0.99931	0.99999	6.0519	0.0041674	0.10792	7.7334	0.90036	0.98725	6	2.5193	0.93505	0.99076	16	7.5255	0.52148	0.9673
H2O[g]	40	-0.0139	0.97356	0.99999	0.33572	0.061264	0.52906	14.284	0.61052	0.97734	18	10.935	0.52975	0.99076	22	9.3692	0.43308	0.95692
GMP[g]	23	-5.2648	0.99859	0.99999	5.2648	0.0074211	0.16543	8.174	0.88683	0.98725	7	3.4391	0.91105	0.99076	16	7.5255	0.52148	0.9673
ADP-glucose[c];ADP-mannose[c]	3	0.88255	0.61088	0.99999	-0.88255	0.42598	1	3.7079	0.56596	0.96389	1	4.4188	0.23908	0.85544	2	1.4167	0.68803	0.9673
NH3[n]	2	0.16782	0.65011	0.99999	-0.16782	0.39126	1	-0.19755	0.91122	0.98725	1	0.062091	0.84006	0.99076	1	-0.34146	0.8052	0.9673
dCMP[n]	2	2.707	0.35949	0.88109	-2.707	0.6446	1	2.2374	0.66308	0.97978	2	2.2374	0.71673	0.99076	0	NA	NA	NA
deoxyadenosine[s]	4	5.3154	0.17786	0.65973	-5.3154	0.81404	1	4.7734	0.49596	0.94215	4	4.7734	0.58176	0.99076	0	NA	NA	NA
deoxyinosine[s]	5	6.6557	0.10373	0.50884	-6.6557	0.88429	1	6.1004	0.38067	0.86164	5	6.1004	0.45981	0.99076	0	NA	NA	NA
ATP[s]	9	12.339	0.0036133	0.070701	-12.336	0.99368	1	12.042	0.028817	0.31133	8	12.775	0.019443	0.22492	1	-0.0048964	0.76784	0.9673
deoxycytidine[n]	4	2.6135	0.44326	0.94754	-2.6135	0.58024	1	2.1877	0.83436	0.9838	3	2.7233	0.76109	0.99076	1	-0.34146	0.8052	0.9673
PPi[n]	8	3.0366	0.49027	0.98577	-3.0366	0.5516	1	2.0783	0.96008	0.98796	5	3.4954	0.82018	0.99076	3	-1.1188	0.95528	0.98285
Pi[g]	4	8.0742	0.042643	0.34447	-8.0702	0.94484	1	8.2551	0.091445	0.50399	3	9.5043	0.027011	0.25033	1	0.048269	0.76159	0.9673
UMP[g]	7	9.8933	0.01894	0.21799	-9.8903	0.97358	1	8.6697	0.1801	0.65257	6	10.155	0.074294	0.4737	1	-1.9356	0.92915	0.97581
uridine[s]	6	7.3224	0.085235	0.46456	-7.3224	0.90465	1	6.7329	0.3683	0.85452	6	6.7329	0.45285	0.99076	0	NA	NA	NA
AKG[m]	29	16.494	0.00078955	0.025748	-15.763	0.99747	1	16.356	0.087286	0.49425	23	18.207	0.015038	0.20153	6	0.31305	0.95353	0.98284
NH3[m]	11	6.7679	0.16532	0.63498	-6.7681	0.83862	1	6.015	0.75544	0.97978	8	7.615	0.47589	0.99076	3	-0.91745	0.94747	0.98083
glutamate[m]	21	14.707	0.0018707	0.047062	-12.799	0.98767	1	14.168	0.10638	0.53069	16	16.454	0.010343	0.17368	5	-0.39843	0.96108	0.98455
citrulline[c]	12	6.0002	0.24646	0.76817	-5.6043	0.73754	1	5.262	0.86932	0.98725	10	5.1179	0.8883	0.99076	2	1.4451	0.6842	0.9673
argininosuccinate[c]	3	4.7105	0.19906	0.69277	-4.7105	0.79253	1	4.1668	0.49649	0.94215	3	4.1668	0.55906	0.99076	0	NA	NA	NA
arginine[c]	25	7.5552	0.24849	0.77103	-7.281	0.76543	1	11.53	0.55487	0.9571	21	9.5419	0.83413	0.99076	4	6.9612	0.11558	0.65625
1-pyrroline-5-carboxylate[m]	6	12.332	0.0023227	0.05382	-8.9334	0.95781	1	12.656	0.0049732	0.13301	5	13.606	0.0012186	0.052729	1	0.57679	0.69479	0.9673
aspartate[m]	5	7.4084	0.069394	0.41794	-7.4259	0.91845	1	5.8423	0.41852	0.8838	4	7.7895	0.16666	0.72744	1	-2.5151	0.95458	0.98284
asparagine[m]	3	1.2448	0.56946	0.99999	-1.2448	0.46342	1	-0.85412	0.97159	0.98796	2	0.73234	0.87461	0.99076	1	-2.5151	0.95458	0.98284
3-sulfinoalanine[m]	3	8.636	0.022736	0.24855	-8.6585	0.96773	1	8.2748	0.057703	0.40484	3	8.2748	0.073722	0.47217	0	NA	NA	NA
GSSG[m]	12	6.3036	0.21938	0.73447	-2.5067	0.43592	1	11.623	0.098954	0.51878	9	9.9778	0.20557	0.81349	3	5.9648	0.15172	0.66182
carbamoyl-phosphate[m]	2	0.12193	0.65509	0.99999	-0.12227	0.38681	1	10.588	0.0028922	0.098067	1	7.5743	0.025982	0.24618	1	7.3997	0.017963	0.31942
glutamine[m]	3	-0.07819	0.71374	0.99999	0.07819	0.33068	0.97846	-0.40586	0.95853	0.98796	2	-0.74926	0.95681	0.99076	1	0.35664	0.72361	0.9673
alanine[c]	44	15.483	0.0060098	0.099842	-15.271	0.99219	1	16.503	0.37283	0.85654	35	17.187	0.26256	0.88741	9	2.5972	0.88841	0.97155
asparagine[c]	30	10.526	0.082971	0.45754	-10.276	0.91333	1	13.322	0.44345	0.9064	22	13.461	0.32744	0.94444	8	3.4745	0.77319	0.9673
2-oxoglutaramate[c]	2	2.3078	0.40415	0.91859	-2.3078	0.60607	1	1.5285	0.75518	0.97978	2	1.5285	0.8007	0.99076	0	NA	NA	NA
2-oxoglutaramate[m]	3	1.286	0.56468	0.99999	-1.286	0.46771	1	1.296	0.8611	0.98725	2	1.335	0.82071	0.99076	1	0.35664	0.72361	0.9673
GSSG[c]	20	12.106	0.016931	0.20011	-8.7894	0.88383	1	17.127	0.0059374	0.14763	15	16.596	0.0069725	0.13912	5	5.5091	0.31161	0.873
succinate semialdehyde[m]	4	5.9706	0.13288	0.56524	-5.9705	0.85549	1	5.3351	0.41164	0.8808	4	5.3351	0.49514	0.99076	0	NA	NA	NA
succinate[m]	17	9.6441	0.057212	0.39051	-9.6441	0.93936	1	10.38	0.4007	0.87507	13	11.492	0.21487	0.82176	4	0.68194	0.88567	0.97155
4-aminobutyrate[c]	9	1.2293	0.71108	0.99999	3.1253	0.066433	0.55043	8.8285	0.25177	0.7705	7	4.7315	0.80246	0.99076	2	9.8762	0.0032421	0.13902
4-aminobutyrate[m]	6	2.0332	0.56778	0.99999	-2.0332	0.47544	1	6.3799	0.41965	0.8838	4	5.0545	0.53864	0.99076	2	3.9022	0.32506	0.888
tyrosine[m];4-hydroxyphenylpyruvate[m]	2	6.2714	0.079824	0.45199	-6.2714	0.8995	1	6.0475	0.15143	0.61328	2	6.0475	0.18852	0.77606	0	NA	NA	NA
N-acetyl-L-asparagine[c];N-acetyl-L-aspartate[c]	2	2.3141	0.40343	0.91859	-2.3137	0.60664	1	8.514	0.024434	0.29675	1	7.6873	0.023428	0.23511	1	4.3533	0.17524	0.6942
(S)-2-aminobutanoate[c]	3	9.4824	0.012244	0.15855	-9.4631	0.98025	1	9.2125	0.026698	0.30818	3	9.2125	0.034901	0.30047	0	NA	NA	NA
5-oxoproline[c]	4	4.5985	0.23688	0.75506	-4.5818	0.75973	1	11.282	0.0065502	0.15178	3	9.0604	0.039708	0.3246	1	6.8707	0.029004	0.38296
gamma-L-glutamyl-L-alpha-aminobutyrate[c];gamma-glutamylglutathione[c]	2	7.5151	0.038249	0.32451	-7.4914	0.94402	1	7.2675	0.067459	0.43646	2	7.2675	0.088549	0.5288	0	NA	NA	NA
NH3[p]	4	-5.2247	0.9831	0.99999	11.757	0.00026094	0.015317	13.155	0.0007061	0.049738	1	7.7677	0.021741	0.22492	3	10.705	0.0021559	0.1098
D-alanine[c]	4	7.0505	0.077084	0.44361	-7.0501	0.90924	1	6.4477	0.25922	0.77413	4	6.4477	0.32808	0.94468	0	NA	NA	NA
L-glutamate 5-semialdehyde[m]	3	11.339	0.002589	0.058073	-8.5373	0.96537	1	11.042	0.0042844	0.11803	3	11.042	0.0057954	0.12601	0	NA	NA	NA
ornithine[m]	4	1.5965	0.56009	0.99999	-1.5965	0.47713	1	8.7456	0.064491	0.43631	3	5.8263	0.30972	0.9323	1	7.3997	0.017963	0.31942
citrulline[m]	2	-2.7099	0.89074	0.99999	2.7099	0.15647	0.78847	7.6912	0.048824	0.37415	1	3.4774	0.36653	0.98624	1	7.3997	0.017963	0.31942
ornithine[c]	13	10.658	0.021834	0.24233	-10.277	0.96616	1	9.0079	0.42831	0.89474	13	9.0079	0.56931	0.99076	0	NA	NA	NA
1-pyrroline-5-carboxylate[c]	5	13.99	0.00033444	0.013274	-10.267	0.98322	1	13.606	0.00080057	0.052215	5	13.606	0.0012186	0.052729	0	NA	NA	NA
proline[c]	31	14.66	0.0054355	0.092931	-12.917	0.97812	1	16.893	0.076404	0.45937	23	17.718	0.023832	0.23776	8	3.2113	0.80244	0.9673
proline[m]	8	14.632	0.00033655	0.013274	-11.689	0.99111	1	14.772	0.00091059	0.055295	7	15.574	0.000455	0.02968	1	0.57679	0.69479	0.9673
N-(omega)-hydroxyarginine[c];NO[c]	3	-0.76881	0.77864	0.99999	0.76881	0.26803	0.90708	0.28739	0.92917	0.98796	2	-0.87637	0.96109	0.99076	1	1.7372	0.52633	0.9673
SAM[c]	135	19.431	0.018421	0.21483	-18.277	0.97779	1	25.836	0.73273	0.97978	103	24.684	0.77806	0.99076	32	8.7802	0.77802	0.9673
S-adenosylmethioninamine[c]	3	6.0787	0.10608	0.51461	-6.0787	0.87966	1	8.6732	0.042158	0.34962	2	9.0505	0.021111	0.22492	1	2.2231	0.45239	0.95692
putrescine[c]	8	5.5008	0.22909	0.74847	-5.5008	0.7787	1	11.176	0.041056	0.34962	5	10.487	0.034881	0.30047	3	4.7118	0.29231	0.84684
5-methylthioadenosine[c]	3	8.7835	0.020492	0.23433	-8.7835	0.97003	1	8.4973	0.048543	0.37415	3	8.4973	0.062376	0.44704	0	NA	NA	NA
spermidine[c]	10	3.3063	0.50187	0.9894	0.82483	0.16631	0.80999	13.294	0.012901	0.22554	6	10.271	0.068173	0.46064	4	8.4412	0.038923	0.43412
spermine[c]	7	1.3933	0.65842	0.99999	3.5444	0.062475	0.53528	14.155	0.0013272	0.066776	3	11.874	0.0021988	0.066592	4	8.4412	0.038923	0.43412
arginine[m]	3	4.9668	0.17868	0.65973	-4.9668	0.81119	1	4.5631	0.43652	0.90068	3	4.5631	0.49781	0.99076	0	NA	NA	NA
agmatine[m]	2	7.9513	0.028753	0.28287	-7.6046	0.9472	1	7.7172	0.047832	0.37271	2	7.7172	0.06405	0.44704	0	NA	NA	NA
ornithine[s]	9	8.4004	0.062201	0.40123	-7.9433	0.91281	1	6.6943	0.55864	0.95884	9	6.6943	0.67262	0.99076	0	NA	NA	NA
CO2[s]	16	1.1942	0.81217	0.99999	2.0716	0.070052	0.55736	11.178	0.26082	0.77413	10	7.3626	0.64088	0.99076	6	8.7479	0.060155	0.52616
putrescine[s]	4	-0.6823	0.79096	0.99999	7.2143	0.010482	0.20064	11.848	0.0035107	0.11241	2	7.6676	0.06646	0.45903	2	9.0876	0.0077012	0.23366
O2[s]	9	0.95755	0.73757	0.99999	3.3972	0.05784	0.51423	13.973	0.0041807	0.11803	4	11.082	0.012255	0.18681	5	8.8348	0.039155	0.43412
4-aminobutanal[s];spermine monoaldehyde[s];spermine monoaldehyde[p];spermine dialdehyde[c];spermine dialdehyde[s];spermine dialdehyde[p];spermidine monoaldehyde 1[s];spermidine monoaldehyde 1[p];spermidine monoaldehyde 2[s];spermidine monoaldehyde 2[p];spermidine dialdehyde[c];spermidine dialdehyde[s];spermidine dialdehyde[p];N-methylputrescine[c];1-methylpyrrolinium[c]	3	-2.6798	0.90825	0.99999	10.222	0.00099115	0.034629	11.905	0.0015497	0.071815	1	7.7677	0.021741	0.22492	2	9.0876	0.0077012	0.23366
urea[m]	3	3.5918	0.30302	0.83867	-3.3087	0.67304	1	8.945	0.033642	0.32689	2	7.6044	0.069635	0.46359	1	4.7389	0.13984	0.65625
creatine[c]	7	11.268	0.0066094	0.10386	-11.242	0.98885	1	10.317	0.061435	0.42427	7	10.317	0.097396	0.55805	0	NA	NA	NA
SAH[c]	132	20.208	0.0097614	0.13752	-19.041	0.98628	1	26.329	0.63002	0.97734	103	24.979	0.74282	0.99076	29	9.0958	0.67403	0.9673
guanidinoacetate[c]	2	5.9272	0.095911	0.49098	-5.9272	0.88318	1	5.7008	0.18452	0.66234	2	5.7008	0.22638	0.82745	0	NA	NA	NA
histidine[c]	27	7.4845	0.27807	0.80805	-7.2206	0.74172	1	9.5622	0.85013	0.98551	21	8.6708	0.90444	0.99076	6	4.0629	0.59583	0.9673
homocarnosine[c]	2	0.37885	0.62691	0.99999	-0.37885	0.41205	1	-1.1355	0.95595	0.98796	2	-1.1355	0.96873	0.99076	0	NA	NA	NA
succinate[c]	14	13.884	0.0018522	0.047062	-13.884	0.9966	1	12.756	0.069366	0.441	14	12.756	0.12741	0.62516	0	NA	NA	NA
trans-4-hydroxy-L-proline[c];trans-4-hydroxy-L-proline[m]	7	16.049	5.3258e-05	0.0037515	-12.902	0.99668	1	15.574	0.00019558	0.018127	7	15.574	0.000455	0.02968	0	NA	NA	NA
O2[m]	72	3.7611	0.93883	0.99999	0.99938	0.011362	0.20924	21.118	0.34668	0.85452	46	14.728	0.88271	0.99076	26	15.551	0.012549	0.27961
L-1-pyrroline-3-hydroxy-5-carboxylate[c]	4	14.666	0.00014403	0.0079259	-10.504	0.98674	1	14.395	0.00012476	0.013731	4	14.395	0.00020138	0.017975	0	NA	NA	NA
L-1-pyrroline-3-hydroxy-5-carboxylate[m]	5	13.99	0.00033444	0.013274	-10.267	0.98322	1	13.606	0.00080057	0.052215	5	13.606	0.0012186	0.052729	0	NA	NA	NA
L-erythro-4-hydroxyglutamate[m]	3	7.5635	0.04603	0.35709	-7.5635	0.94084	1	7.2399	0.11901	0.56034	3	7.2399	0.14772	0.68451	0	NA	NA	NA
4-hydroxy-2-oxoglutarate[m]	3	5.2801	0.15562	0.61742	-5.2801	0.83255	1	7.2748	0.11639	0.55404	2	7.7113	0.06433	0.44715	1	1.6948	0.53278	0.9673
methylthioribose-1p[c]	2	1.5349	0.49373	0.98577	-1.5349	0.52878	1	-0.011628	0.89928	0.98725	1	1.9184	0.6059	0.99076	1	-1.9349	0.92912	0.97581
N1-acetylspermine[c];N1-acetylspermine[p];N1-acetylspermidine[c];N1-acetylspermidine[p]	4	0.99185	0.62776	0.99999	-0.99185	0.41611	1	5.0042	0.46108	0.92115	2	4.2268	0.42568	0.99076	2	2.8501	0.47843	0.9652
spermine[p]	5	-4.1695	0.97129	0.99999	10.012	0.0010029	0.034629	11.024	0.014831	0.22711	1	7.7677	0.021741	0.22492	4	8.4412	0.038923	0.43412
spermine monoaldehyde[c];spermidine monoaldehyde 1[c];spermidine monoaldehyde 2[c]	6	-4.3833	0.97936	0.99999	9.7166	0.00095058	0.034629	10.253	0.047604	0.37271	1	7.7677	0.021741	0.22492	5	7.7582	0.088559	0.6069
spermine[s];spermidine[s]	3	-2.6798	0.90825	0.99999	10.222	0.00099115	0.034629	11.905	0.0015497	0.071815	1	7.7677	0.021741	0.22492	2	9.0876	0.0077012	0.23366
spermidine[p]	7	-1.0046	0.86628	0.99999	5.9423	0.01563	0.25636	11.576	0.021557	0.27709	3	7.9359	0.093945	0.54472	4	8.4412	0.038923	0.43412
putreanine[c];isoputreanine[c];spermic acid 1[c]	3	-3.519	0.9426	0.99999	3.519	0.090358	0.63395	2.5958	0.72237	0.97978	0	NA	NA	NA	3	2.5958	0.60568	0.9673
acetamidopropanal[c];acetamidopropanal[p];putrescine[p];N1,N12-diacetylspermine[c];N1,N12-diacetylspermine[p]	2	4.7131	0.17137	0.6476	-4.7131	0.81105	1	4.2268	0.36811	0.85452	2	4.2268	0.42568	0.99076	0	NA	NA	NA
1,3-diaminopropane[c]	4	-2.2688	0.89764	0.99999	8.8008	0.0033237	0.087557	9.6164	0.03225	0.32086	2	4.512	0.38347	0.98993	2	9.0876	0.0077012	0.23366
lysine[c]	21	7.1152	0.25011	0.77135	-6.816	0.75575	1	9.9745	0.62795	0.97734	18	8.1332	0.87675	0.99076	3	6.4679	0.11071	0.63913
creatine-phosphate[m];creatine[m];creatine-phosphate[c]	4	5.1442	0.19105	0.68384	-5.1442	0.80209	1	4.0582	0.60311	0.97734	4	4.0582	0.68608	0.99076	0	NA	NA	NA
sarcosine[m]	2	4.047	0.22566	0.74728	-4.047	0.7618	1	3.7009	0.44569	0.90661	2	3.7009	0.50546	0.99076	0	NA	NA	NA
THF[m]	12	12.127	0.0066648	0.10386	-12.055	0.98915	1	11.587	0.10136	0.52345	10	12.769	0.044304	0.35458	2	-0.17032	0.86279	0.96952
5,10-methylene-THF[m]	9	10.04	0.021944	0.24233	-9.9566	0.96986	1	9.9205	0.13858	0.59815	7	11.34	0.045552	0.35933	2	-0.17032	0.86279	0.96952
glycine[m]	11	8.8412	0.057495	0.39059	-8.7656	0.93337	1	13.287	0.020006	0.26725	8	12.919	0.016948	0.217	3	4.3474	0.34224	0.90068
N-acetylputrescine[c]	7	-5.6905	0.9934	0.99999	10.628	0.0003838	0.01931	11.276	0.028176	0.30818	1	7.7677	0.021741	0.22492	6	9.0086	0.049121	0.47977
N4-acetylaminobutanal[c]	10	-2.2214	0.94823	0.99999	6.3526	0.0078538	0.17158	12.702	0.022587	0.28577	4	8.3057	0.12133	0.61242	6	9.616	0.029628	0.38409
4-aminobutanal[c]	3	2.6625	0.40429	0.91859	-2.6625	0.60996	1	7.1777	0.12379	0.5729	2	5.8702	0.20736	0.81349	1	4.1304	0.19808	0.74975
glycerate[c]	7	1.1405	0.68512	0.99999	-1.1405	0.37292	1	4.7623	0.71703	0.97978	4	3.7448	0.728	0.99076	3	2.9505	0.55232	0.9673
glycerate[m]	6	1.1868	0.66181	0.99999	-1.1868	0.38941	1	5.6967	0.52223	0.95019	3	5.1059	0.41428	0.99076	3	2.9505	0.55232	0.9673
isobutyryl-CoA[m]	9	0.31031	0.79526	0.99999	-0.31031	0.26934	0.90708	2.8015	0.94916	0.98796	4	2.5283	0.85998	0.99076	5	1.4972	0.8508	0.96952
methacrylyl-CoA[m]	4	0.70985	0.65815	0.99999	-0.70985	0.38824	1	1.7427	0.87296	0.98725	2	1.575	0.7957	0.99076	2	0.88945	0.75506	0.9673
3-methylcrotonyl-CoA[m]	5	3.1905	0.40176	0.91859	-3.1905	0.62004	1	5.7217	0.43651	0.90068	2	7.5251	0.073777	0.47217	3	1.2424	0.785	0.9673
isovaleryl-CoA[m]	6	1.2009	0.66031	0.99999	-1.2009	0.39081	1	2.7651	0.87801	0.98725	2	4.3006	0.41466	0.99076	4	0.34558	0.90864	0.97276
2-methylbutyryl-CoA[m]	6	1.4905	0.62888	0.99999	-1.4905	0.41988	1	2.4384	0.90126	0.98725	2	4.3006	0.41466	0.99076	4	-0.054627	0.93129	0.97581
tiglyl-CoA[m]	6	2.6226	0.49959	0.9894	-2.6226	0.53628	1	3.7555	0.78533	0.97978	3	4.5308	0.50281	0.99076	3	0.78025	0.83326	0.96952
3-phosphonooxypyruvate[c]	3	9.4664	0.012395	0.15896	-8.3606	0.96168	1	9.1855	0.027339	0.30818	3	9.1855	0.035717	0.30441	0	NA	NA	NA
3-phosphoserine[c]	3	6.8168	0.071478	0.42524	-5.711	0.85927	1	7.7851	0.08261	0.47329	2	9.0001	0.022107	0.22492	1	0.75611	0.67037	0.9673
serine[c]	45	11.684	0.090794	0.47828	-11.48	0.91697	1	12.37	0.90859	0.98725	35	12.525	0.87974	0.99076	10	2.8098	0.89474	0.97155
sarcosine[p];formaldehyde[p]	2	1.1553	0.53814	0.99999	-1.1553	0.49023	1	0.77142	0.83626	0.9838	1	1.6788	0.64146	0.99076	1	-0.58788	0.83009	0.96952
glycine[p]	3	2.4137	0.43289	0.93589	-2.4137	0.58477	1	1.9548	0.79792	0.98123	2	2.8099	0.63844	0.99076	1	-0.58788	0.83009	0.96952
sarcosine[c]	4	1.9598	0.51843	0.99999	-1.9598	0.51415	1	4.3024	0.56698	0.96426	3	3.3995	0.67252	0.99076	1	2.7167	0.37895	0.91745
2-amino-3-oxoadipate[m];5-aminolevulinate[m]	3	-0.74257	0.77634	0.99999	0.74257	0.27029	0.90708	7.855	0.078628	0.46114	1	6.332	0.072482	0.46882	2	5.1429	0.17754	0.69937
succinyl-CoA[m]	17	3.9581	0.53848	0.99999	-3.9581	0.52969	1	11.233	0.28094	0.79884	10	10.123	0.24419	0.86282	7	5.405	0.44985	0.95692
dehydroalanine[c]	3	3.3043	0.33319	0.85656	-3.3043	0.67263	1	1.8937	0.80442	0.98237	3	1.8937	0.84905	0.99076	0	NA	NA	NA
hydroxypyruvate[c]	2	-2.1485	0.85671	0.99999	2.1485	0.19323	0.82512	1.1216	0.80118	0.98237	1	-1.3541	0.93926	0.99076	1	2.9403	0.3469	0.90068
threonine[c]	30	15.469	0.0022857	0.05382	-15.226	0.99583	1	16.89	0.066376	0.43646	25	16.933	0.068525	0.46118	5	3.5088	0.60724	0.9673
choline[c]	19	0.34093	0.89302	0.99999	-0.34093	0.17614	0.81747	10.03	0.54332	0.9571	12	5.9379	0.89048	0.99076	7	8.7505	0.081786	0.60429
betaine_aldehyde[c];betaine_aldehyde[m]	2	3.2839	0.29833	0.8365	-3.2839	0.69768	1	2.872	0.57109	0.96701	2	2.872	0.6295	0.99076	0	NA	NA	NA
betaine[c]	3	2.1873	0.45922	0.96631	-2.1873	0.56153	1	6.6479	0.16996	0.63972	2	5.3424	0.26967	0.9052	1	3.9592	0.21679	0.79199
homocysteine[c]	9	7.7877	0.087276	0.47001	-7.7877	0.90625	1	6.5001	0.58778	0.9749	9	6.5001	0.69925	0.99076	0	NA	NA	NA
dimethylglycine[c]	4	5.8784	0.13868	0.576	-5.8784	0.85007	1	5.3245	0.4132	0.88145	4	5.3245	0.49679	0.99076	0	NA	NA	NA
methionine[c]	33	11.575	0.052082	0.37768	-11.336	0.94467	1	11.674	0.77139	0.97978	27	11.942	0.7468	0.99076	6	2.0439	0.84532	0.96952
formaldehyde[c]	20	-2.3343	0.98029	0.99999	8.1766	0.00088995	0.03407	15.121	0.040613	0.34962	11	7.9337	0.62218	0.99076	9	13.77	0.001152	0.091266
cys-gly[c]	9	1.6126	0.67172	0.99999	-1.6126	0.39044	1	6.268	0.62196	0.97734	6	4.3495	0.78966	0.99076	3	4.7054	0.29316	0.84684
gamma-L-glutamyl-L-alanine[c];leukotriene D5[c];gamma-glutamyl-beta-cyanoalanine[s];L-3-cyanoalanine[s];gamma-glutamyl-3-aminopropiononitrile[s]	4	0.86044	0.64204	0.99999	-0.86044	0.40306	1	2.584	0.79421	0.97978	3	1.4506	0.88583	0.99076	1	2.6554	0.38788	0.92837
THF-hexaglutamate[c]	2	4.6095	0.17922	0.66025	-4.6095	0.80383	1	4.3021	0.35735	0.85452	2	4.3021	0.41443	0.99076	0	NA	NA	NA
glyoxalate[c]	5	3.254	0.3946	0.91149	-3.254	0.62625	1	1.9723	0.89704	0.98725	4	2.6196	0.85192	0.99076	1	-0.82896	0.85237	0.96952
glycolate[c]	9	3.9129	0.41032	0.92164	-3.9129	0.62416	1	4.5629	0.83221	0.9838	7	4.336	0.84195	0.99076	2	1.5674	0.6675	0.9673
S-aminomethyldihydrolipoamide[m];lipoylprotein[m];S-aminomethyldihydrolipoylprotein[m];dihydrolipoylprotein[m]	4	5.2679	0.18146	0.6616	-5.2679	0.81077	1	5.5326	0.38272	0.86369	3	6.2403	0.2554	0.87684	1	0.25678	0.73622	0.9673
acetylcarnosine[c]	4	6.5129	0.10212	0.50703	-6.5129	0.8847	1	5.9633	0.32209	0.83906	4	5.9633	0.3987	0.99076	0	NA	NA	NA
carnosine[c]	6	5.5365	0.1976	0.6911	-5.5365	0.80119	1	4.2135	0.73139	0.97978	6	4.2135	0.80454	0.99076	0	NA	NA	NA
histamine[c]	8	-3.7395	0.97432	0.99999	8.3583	0.0023938	0.075277	11.245	0.038771	0.338	2	7.7176	0.064031	0.44704	6	8.5293	0.070824	0.57806
N-methylhistamine[c]	6	-4.6563	0.98301	0.99999	9.9897	0.00074662	0.029516	10.746	0.031809	0.31846	1	7.7677	0.021741	0.22492	5	8.2975	0.059911	0.52616
methylimidazole-acetaldehyde[c];phenylacetaldehyde[c];3,4-dihydroxyphenylacetaldehyde[c];4-hydroxyphenylacetaldehyde[c]	9	-1.4277	0.90859	0.99999	5.7823	0.014272	0.24167	11.928	0.031828	0.31846	4	7.7264	0.17286	0.74409	5	9.092	0.031532	0.39238
urocanate[c]	6	8.0576	0.056491	0.3886	-8.0576	0.93305	1	7.5205	0.26292	0.77685	6	7.5205	0.3359	0.95907	0	NA	NA	NA
S-[2-carboxy-1-(1H-imidazol-4-yl)ethyl]glutathione[c]	18	7.8537	0.1578	0.61742	-7.8536	0.854	1	8.2345	0.75151	0.97978	15	8.1989	0.78233	0.99076	3	1.8371	0.71234	0.9673
S-[2-carboxy-1-(1H-imidazol-4-yl)ethyl]-L-cysteine[c];N-acetyl-S-[2-carboxy-1-(1H-imidazol-4-yl)ethyl]-L-cysteine[c]	20	7.9953	0.17584	0.65745	-7.9951	0.83944	1	8.5443	0.78487	0.97978	16	8.5219	0.77563	0.99076	4	2.0618	0.75053	0.9673
NH4+[c]	19	6.361	0.30506	0.83961	-6.3609	0.72992	1	9.7516	0.58478	0.97335	14	8.8535	0.64488	0.99076	5	4.1947	0.50414	0.9673
S-[2-carboxy-1-(1H-imidazol-4-yl)ethyl]-3-thiolactate[c]	13	5.2194	0.33192	0.85656	-5.2193	0.69981	1	5.9964	0.83187	0.9838	10	5.8308	0.82779	0.99076	3	1.8371	0.71234	0.9673
imidazole-4-acetaldehyde[c];3-amino-propanal[c]	8	-0.45694	0.83957	0.99999	5.0757	0.024364	0.33003	12.368	0.014055	0.22554	4	8.3057	0.12133	0.61242	4	9.1851	0.02029	0.32835
imidazole-4-acetaldehyde[m];imidazole-4-acetate[m];indole-3-acetaldehyde[m];indoleacetate[m];perillyl aldehyde[m];perillic acid[m]	3	1.6928	0.51721	0.99999	-1.6928	0.51015	1	8.0285	0.069368	0.441	2	5.8758	0.20676	0.81349	1	5.5963	0.079471	0.59645
2-oxoadipate[m]	8	7.7407	0.081664	0.45289	-7.7407	0.91114	1	8.4855	0.23998	0.75601	6	9.2269	0.13895	0.65645	2	0.98946	0.74296	0.9673
glutaryl-CoA[m]	7	7.1543	0.10104	0.50408	-7.1543	0.89054	1	7.3154	0.34498	0.85452	6	7.4759	0.34222	0.96733	1	1.0427	0.62984	0.9673
histone-N6-methyl-L-lysine[n]	25	10.618	0.05789	0.39059	-10.365	0.93567	1	12.632	0.39026	0.86855	20	12.547	0.37706	0.98993	5	3.1528	0.65836	0.9673
SAH[n];SAM[n]	29	12.792	0.018885	0.21799	-12.557	0.97594	1	15.227	0.17693	0.64643	23	15.309	0.14675	0.68378	6	3.5029	0.67625	0.9673
histone-L-lysine[n]	25	10.618	0.05789	0.39059	-10.365	0.93567	1	12.632	0.39026	0.86855	20	12.547	0.37706	0.98993	5	3.1528	0.65836	0.9673
lysine[m]	2	2.0933	0.42871	0.9312	-2.0933	0.5849	1	2.4858	0.62788	0.97734	1	3.4774	0.36653	0.98624	1	0.038133	0.76279	0.9673
saccharopine[m]	2	2.4191	0.39154	0.91149	-2.4191	0.61693	1	2.8251	0.5781	0.97335	1	3.9571	0.2985	0.93225	1	0.038133	0.76279	0.9673
2-oxoadipate[c]	2	2.7566	0.35406	0.87695	-2.7566	0.64928	1	3.5558	0.46761	0.92176	1	4.6721	0.20945	0.81349	1	0.35664	0.72361	0.9673
L-2-aminoadipate[c];L-2-aminoadipate[m]	3	3.9895	0.26344	0.79656	-3.9895	0.73451	1	4.5167	0.44348	0.9064	2	5.2797	0.27765	0.91049	1	0.35664	0.72361	0.9673
S-glutaryldihydrolipoamide[m];S-succinyldihydrolipoamide[m]	4	6.6441	0.095518	0.4904	-6.6441	0.8911	1	7.4021	0.15671	0.62294	3	7.9452	0.093335	0.54472	1	1.0427	0.62984	0.9673
2-aminoadipate 6-semialdehyde[m]	3	3.7139	0.29058	0.82802	-3.7139	0.71034	1	3.9201	0.53396	0.95366	2	4.7741	0.34584	0.97593	1	0.038133	0.76279	0.9673
2-aminoadipate 6-semialdehyde[c]	4	1.3012	0.59349	0.99999	-1.3012	0.44717	1	2.1881	0.83432	0.9838	2	2.9417	0.6194	0.99076	2	0.15279	0.83404	0.96952
1-piperideine-6-carboxylate[c]	2	1.1576	0.53786	0.99999	-1.1576	0.49046	1	-0.11357	0.90596	0.98725	1	1.3656	0.68611	0.99076	1	-1.5262	0.90543	0.97155
[protein]-L-lysine[c]	195	23.789	0.0038021	0.07222	-23.087	0.99672	1	29.909	0.88322	0.98725	140	30.715	0.55599	0.99076	55	7.3125	0.99571	0.99945
[protein]-N6-methyl-L-lysine[c];[protein]-N6,N6-dimethyl-L-lysine[c]	23	9.7818	0.08863	0.4744	-9.7818	0.91544	1	10.564	0.61791	0.97734	19	10.716	0.6039	0.99076	4	1.9759	0.76084	0.9673
[protein]-N6,N6,N6-trimethyl-L-lysine[c]	28	10.706	0.066523	0.41597	-10.706	0.93676	1	11.519	0.64861	0.97978	23	11.753	0.6265	0.99076	5	2.0506	0.79636	0.9673
N6,N6,N6-trimethyl-L-lysine[c]	6	4.4258	0.29926	0.8365	-4.4258	0.71163	1	4.4505	0.70101	0.97978	5	4.5921	0.6872	0.99076	1	0.6334	0.68717	0.9673
3-hydroxy-N6,N6,N6-trimethyl-L-lysine[c]	2	6.7627	0.060512	0.39878	-6.5855	0.91288	1	6.3588	0.1253	0.5729	2	6.3588	0.15808	0.70929	0	NA	NA	NA
4-trimethylammoniobutanal[c]	2	6.7202	0.062022	0.40123	-6.543	0.91116	1	6.3025	0.12978	0.58243	2	6.3025	0.16334	0.72329	0	NA	NA	NA
gamma-butyrobetaine[c]	2	3.2639	0.30038	0.83736	-3.2639	0.69589	1	2.7722	0.58596	0.97439	2	2.7722	0.64382	0.99076	0	NA	NA	NA
L-carnitine[c]	28	6.8342	0.35922	0.88109	-6.8367	0.69925	1	13.81	0.31083	0.83186	19	12.107	0.38938	0.99076	9	6.7673	0.35417	0.91
procollagen-5-hydroxy-L-lysine[c]	6	9.2297	0.027019	0.27174	-9.2297	0.96427	1	7.4866	0.26712	0.78269	5	9.0858	0.10269	0.5786	1	-1.9781	0.93133	0.97581
5-(D-galactosyloxy)-L-lysine-procollagen[c]	3	2.0297	0.47766	0.97924	-2.0297	0.54523	1	-0.24936	0.95296	0.98796	2	1.0933	0.84387	0.99076	1	-1.9781	0.93133	0.97581
[protein]-L-lysine[n];[protein]-N6,N6-dimethyl-L-lysine[n];[protein]-N6,N6,N6-trimethyl-L-lysine[n]	24	9.9998	0.080875	0.45289	-9.7417	0.91236	1	12.09	0.42912	0.89535	19	11.97	0.41005	0.99076	5	3.1528	0.65836	0.9673
[protein]-N6,N6,N6-trimethyl-L-lysine[r];N6,N6,N6-trimethyl-L-lysine[r];peptide sans lysine[r]	5	4.3546	0.27803	0.80805	-4.3546	0.72739	1	4.6008	0.60491	0.97734	4	4.8272	0.57358	0.99076	1	0.6334	0.68717	0.9673
(S)-3-hydroxybutyryl-CoA[m];(S)-3-hydroxy-2-methylbutyryl-CoA[m];3(S)-hydroxy-dihomo-gamma-linolenoyl-CoA[m];3(S)-hydroxy-(6Z,9Z,12Z)-octadecatrienoyl-CoA[m];3(S),12(R)-dihydroxy-5-oxo-eicosa-(8E,10E,14Z)-trienoyl-CoA[m];3(S),12(S)-dihydroxy-5-oxo-eicosa-(8E,10E,14Z)-trienoyl-CoA[m];20-CoA-20-oxo-18r-hydroxy-LTB4[m];3(S),5(S),12(R)-trihydroxy-eicosa-8-trans-6,14-cis-trienoyl-CoA[m];3-hydroxydocosanoyl-CoA[m];3-hydroxyeicosanoyl-CoA[m];3-hydroxyoctadecanoyl-CoA[m];(S)-3-hydroxyhexadecanoyl-CoA[m];(S)-3-hydroxytetradecanoyl-CoA[m];(S)-3-hydroxydodecanoyl-CoA[m];(S)-hydroxydecanoyl-CoA[m];(S)-hydroxyoctanoyl-CoA[m];(S)-hydroxyhexanoyl-CoA[m];3-hydroxyheneicosanoyl-CoA[m];3-hydroxynonadecanoyl-CoA[m];3-hydroxyheptadecanoyl-CoA[m];3-hydroxypentadecanoyl-CoA[m];3-hydroxytridecanoyl-CoA[m];3-hydroxyundecanoyl-CoA[m];3-hydroxynonanoyl-CoA[m];3-hydroxyheptanoyl-CoA[m];3-hydroxypentanoyl-CoA[m];3(S)-hydroxy-13-cis-eicosenoyl-CoA[m];(S)-3-hydroxy-11-cis-octadecenoyl-CoA[m];(S)-3-hydroxypalmitoleoyl-CoA[m];cis-(3S)-hydroxytetradec-7-enoyl-CoA[m];3(S)-hydroxy-13-cis-docosenoyl-CoA[m];3(S)-hydroxy-11-cis-eicosenoyl-CoA[m];(S)-3-hydroxyoleyleoyl-CoA[m];(S)-3-hydroxy-7-hexadecenoyl-CoA[m];cis-(3S)-hydroxytetradec-5-enoyl-CoA[m];(3S)-3-hydroxylinoleoyl-CoA[m];(3S)-3-hydroxy-cis,cis-palmito-7,10-dienoyl-CoA[m];3(S)-hydroxy-(5Z,8Z)-tetradecadienoyl-CoA[m];(3S)-3-hydroxydodec-cis-6-enoyl-CoA[m];3(S),8(R)-dihydroxy-(6E,10Z)-hexadecadienoate[m];3(S),6(R)-dihydroxy-tetradec-(8Z)-enoate[m];3(S),8(S)-dihydroxy-(6E,10Z)-hexadecadienoate[m];3(S),6(S)-dihydroxy-tetradec-(8Z)-enoate[m];3(S)-hydroxy-4(R),8-dimethyl-nonanoyl-CoA[m];3(S)-hydroxy-2(S),6-dimethyl-heptanoyl-CoA[m];3(S)-hydroxy-4-methyl-pentanoyl-CoA[m]	4	4.3064	0.26371	0.79656	-4.3064	0.73731	1	3.1616	0.72635	0.97978	4	3.1616	0.79779	0.99076	0	NA	NA	NA
acetoacetyl-CoA[m]	9	2.184	0.60946	0.99999	-2.184	0.44809	1	6.2787	0.6204	0.97734	7	4.1446	0.85904	0.99076	2	5.5652	0.13893	0.65625
3-hydroxy-L-kynurenine[c]	6	1.6008	0.61667	0.99999	-1.6008	0.43109	1	2.6187	0.88886	0.98725	4	2.2192	0.88503	0.99076	2	1.3973	0.69063	0.9673
3-hydroxykynurenamine[c];5-hydroxykynurenamine[c]	3	-1.3789	0.82822	0.99999	1.3789	0.21815	0.862	4.8097	0.39982	0.87507	1	3.1466	0.41617	0.99076	2	3.6657	0.35801	0.91164
4,8-dihydroxyquinoline[c];4,6-dihydroxyquinoline[c]	2	-4.0534	0.94791	0.99999	4.0534	0.088301	0.62701	3.6657	0.451	0.91184	0	NA	NA	NA	2	3.6657	0.35801	0.91164
kynurenine[c]	6	1.1332	0.6675	0.99999	-1.1332	0.3841	1	2.1149	0.9209	0.98796	4	1.6021	0.92517	0.99076	2	1.3973	0.69063	0.9673
4-(2-aminophenyl)-2,4-dioxobutanoate[c];4-hydroxy-2-quinolinecarboxylic acid[c];4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoate[c];xanthurenate[c]	3	-0.11484	0.7174	0.99999	0.11484	0.32721	0.97846	-0.47744	0.96089	0.98796	2	-0.83693	0.9598	0.99076	1	0.35664	0.72361	0.9673
melatonin[c]	7	0.89534	0.71011	0.99999	-0.89534	0.34921	1	-0.35593	0.99421	0.99746	4	-0.18991	0.98375	0.99076	3	-0.3244	0.91811	0.97296
6-hydroxymelatonin[c]	24	4.541	0.57564	0.99999	-4.5407	0.50744	1	11.448	0.52655	0.95019	14	10.826	0.34763	0.97775	10	4.9263	0.66839	0.9673
hydroxymethylglutathione[c]	2	-1.2504	0.78872	0.99999	1.2504	0.26197	0.90708	1.2662	0.78546	0.97978	1	-0.23637	0.86681	0.99076	1	2.0271	0.48216	0.96567
phenylalanine[c]	34	11.37	0.064114	0.40467	-11.135	0.93477	1	13.221	0.57812	0.97335	26	13.314	0.51255	0.99076	8	3.2531	0.79795	0.9673
phenethylamine[c]	6	-2.87	0.94516	0.99999	8.2033	0.0033313	0.087557	11.819	0.011882	0.21351	2	7.7176	0.064031	0.44704	4	9.0179	0.023636	0.3449
phenylacetate[c]	5	4.772	0.23868	0.75559	-4.772	0.76185	1	6.4453	0.33186	0.8482	4	6.0588	0.38443	0.98993	1	2.2945	0.4416	0.95692
iodide[c]	5	5.8941	0.14959	0.60559	-5.8941	0.84155	1	5.9162	0.40759	0.87802	4	6.535	0.3159	0.93338	1	0.15902	0.74829	0.9673
dopamine[c]	23	-1.0446	0.96166	0.99999	3.7648	0.019878	0.28736	16.258	0.030891	0.31813	10	11.755	0.09416	0.54472	13	11.316	0.047176	0.46718
dopamine-3-O-sulfate[c];tyramine-O-sulfate[c];4-nitrophenyl-sulfate[c]	3	-7.9026	0.99793	0.99999	7.9026	0.0064632	0.15381	7.3114	0.11368	0.5496	0	NA	NA	NA	3	7.3114	0.060864	0.52616
PAP[c]	35	2.5835	0.85702	0.99999	-2.5832	0.23599	0.88786	14.216	0.46899	0.92176	19	11.842	0.42961	0.99076	16	8.1208	0.43108	0.95692
noradrenaline[c]	13	-0.13237	0.86926	0.99999	0.12733	0.19661	0.82634	10.883	0.18621	0.66247	4	10.47	0.022185	0.22492	9	6.1003	0.45248	0.95692
methylamine[c]	5	-4.6394	0.97919	0.99999	10.482	0.00066318	0.028484	11.54	0.0088804	0.18398	1	7.7677	0.021741	0.22492	4	9.0179	0.023636	0.3449
formylglutathione[c]	9	-4.274	0.98472	0.99999	4.274	0.035945	0.39811	10.226	0.11438	0.55033	3	5.3425	0.37884	0.98993	6	8.7465	0.060217	0.52616
L-dopachrome[c]	20	-1.7186	0.97004	0.99999	1.7186	0.069347	0.55509	5.41	0.97701	0.98796	9	2.8527	0.97332	0.99076	11	4.7144	0.73354	0.9673
triiodothyronine[c]	19	3.9883	0.57176	0.99999	-3.9883	0.50181	1	12.528	0.20181	0.69278	13	9.7728	0.45133	0.99076	6	7.9084	0.10904	0.63464
3,5,3-triiodothyronine-4-sulfate[c]	6	-4.0461	0.97396	0.99999	4.0461	0.05088	0.4923	5.6558	0.52839	0.95019	2	1.8056	0.7698	0.99076	4	5.6502	0.24321	0.81031
tyramine[c]	12	-9.3579	0.99993	0.99999	16.9	1.2668e-07	0.00011154	15.808	0.0020307	0.081274	2	7.7176	0.064031	0.44704	10	13.866	0.0012905	0.091828
tetrahydrobiopterin[c]	4	4.2475	0.26931	0.7984	-4.2475	0.73237	1	8.6848	0.067453	0.43646	3	7.345	0.13849	0.65645	1	4.6476	0.14776	0.65625
tyrosine[c]	29	10.903	0.063616	0.40467	-10.648	0.93114	1	13.136	0.44828	0.90843	21	13.499	0.28816	0.91351	8	3.1398	0.80998	0.9673
4alpha-hydroxytetrahydrobiopterin[c]	4	5.9602	0.13353	0.56524	-5.9602	0.85489	1	5.3355	0.41158	0.8808	4	5.3355	0.49508	0.99076	0	NA	NA	NA
L-dopa[c]	4	-0.65591	0.78876	0.99999	0.65591	0.26341	0.90708	3.2843	0.71063	0.97978	1	3.1466	0.41617	0.99076	3	1.9757	0.69387	0.9673
L-dopaquinone[c]	19	-2.1491	0.97545	0.99999	2.1491	0.058402	0.51423	5.2465	0.97237	0.98796	8	2.5572	0.9716	0.99076	11	4.7144	0.73354	0.9673
2-methylacetoacetyl-CoA[m]	4	1.0031	0.62653	0.99999	-1.0031	0.41724	1	3.8481	0.63352	0.97776	3	2.4474	0.79306	0.99076	1	3.4572	0.27718	0.83213
methylmalonyl-CoA[m]	4	1.7223	0.54572	0.99999	-1.7223	0.48994	1	-0.015181	0.96469	0.98796	3	0.54506	0.94023	0.99076	1	-0.97444	0.86482	0.96952
(R)-methylmalonyl-CoA[m]	3	2.355	0.4397	0.94313	-2.355	0.57876	1	1.2992	0.86083	0.98725	3	1.2992	0.8968	0.99076	0	NA	NA	NA
valine[c]	19	7.058	0.23798	0.75509	-6.7434	0.76133	1	9.1875	0.66543	0.97978	15	8.2093	0.78114	0.99076	4	4.1265	0.45487	0.95692
3-methyl-2-oxobutyrate[m];2-oxo-3-methylvalerate[m];4-methyl-2-oxopentanoate[m]	3	0.5541	0.64738	0.99999	-0.5541	0.39259	1	-0.52757	0.96248	0.98796	1	1.06	0.72721	0.99076	2	-1.3956	0.94041	0.97734
3-hydroxyisobutyrate[m]	4	5.3095	0.17831	0.65973	-5.3095	0.81363	1	4.6851	0.50934	0.9497	4	4.6851	0.59513	0.99076	0	NA	NA	NA
isoleucine[c]	22	10.134	0.066768	0.41597	-9.8415	0.9236	1	12.028	0.36553	0.85452	18	11.352	0.46532	0.99076	4	4.1265	0.45487	0.95692
2-methyl-3-oxopropanoate[c];methylmalonate[c]	6	-0.49971	0.8183	0.99999	0.49971	0.23646	0.88786	7.6702	0.24477	0.75888	3	5.1059	0.41428	0.99076	3	5.7414	0.17282	0.6884
S-(2-methylpropanoyl)-dihydrolipoamide[m];S-(2-methylbutanoyl)-dihydrolipoamide[m];S-(3-methylbutanoyl)-dihydrolipoamide[m]	3	0.46867	0.65668	0.99999	-0.46867	0.38402	1	-0.17734	0.9502	0.98796	1	1.06	0.72721	0.99076	2	-0.96671	0.91855	0.97296
leucine[c]	27	6.4124	0.3909	0.91149	-6.1485	0.64576	1	10.365	0.76722	0.97978	19	9.2822	0.79526	0.99076	8	4.7377	0.60437	0.9673
4-methyl-2-oxopentanoate[c]	27	7.5857	0.26829	0.7984	-7.5856	0.77102	1	11.034	0.68229	0.97978	18	11.296	0.47394	0.99076	9	3.1354	0.84438	0.96952
beta-hydroxy-beta-methylbutyrate[c]	3	5.9492	0.11323	0.52967	-5.9492	0.87273	1	4.9752	0.37567	0.85827	2	7.1598	0.095342	0.54814	1	-1.5081	0.90425	0.97155
2-methylglutaconyl-CoA[m];2-methylglutaconic acid[m]	2	3.5386	0.27293	0.80374	-3.5386	0.71992	1	4.0402	0.3952	0.87322	1	5.6202	0.11917	0.61024	1	0.093564	0.7562	0.9673
arachidonyl-CoA[m]	7	1.0138	0.69814	0.99999	3.9239	0.051302	0.49359	6.4021	0.47972	0.93039	5	4.0569	0.75706	0.99076	2	5.5627	0.13914	0.65625
dihydrobiopterin[c]	4	2.5502	0.45049	0.95632	-2.5502	0.57391	1	6.7965	0.21824	0.7214	3	5.1646	0.4054	0.99076	1	4.6476	0.14776	0.65625
tryptophan[c]	23	5.081	0.5021	0.9894	-4.795	0.54455	1	7.162	0.94465	0.98796	16	6.4889	0.93878	0.99076	7	3.1719	0.76416	0.9673
L-formylkynurenine[c]	4	2.4377	0.46338	0.97093	-2.4377	0.56261	1	0.54336	0.94473	0.98796	3	1.4981	0.88222	0.99076	1	-1.5081	0.90425	0.97155
formate[c]	41	5.4617	0.65188	0.99999	-5.4617	0.45925	1	16.617	0.28306	0.79884	26	13.732	0.44876	0.99076	15	9.3932	0.22698	0.81031
formylanthranilate[c];anthranilate[c]	2	3.4735	0.27933	0.80904	-3.4735	0.71431	1	3.1027	0.53637	0.95602	2	3.1027	0.59575	0.99076	0	NA	NA	NA
3-hydroxyanthranilate[c]	3	-3.4305	0.93954	0.99999	10.973	0.00050215	0.0239	6.9671	0.14097	0.60294	1	2.4754	0.52026	0.99076	2	6.7825	0.060881	0.52616
O2-[c]	4	-4.2569	0.96732	0.99999	10.789	0.00063653	0.028484	7.5581	0.14292	0.60294	1	3.374	0.38185	0.98993	3	6.7794	0.089678	0.6069
2-amino-3-carboxymuconate semialdehyde[c]	2	3.1582	0.31126	0.84899	-3.1582	0.68641	1	3.0928	0.53787	0.95676	1	4.7745	0.19811	0.80767	1	-0.4007	0.81138	0.9673
tryptamine[c]	5	-1.2267	0.85103	0.99999	7.069	0.0098337	0.19241	11.86	0.0063491	0.15109	2	7.7176	0.064031	0.44704	3	9.0093	0.013857	0.28638
beta-carboline[c];harman[c];(R)-1,2-dimethyl-5,6-dihydroxy-tetrahydroisoquinoline[c]	74	17.437	0.0074055	0.1134	-17.397	0.99327	1	18.265	0.7878	0.97978	61	18.643	0.76583	0.99076	13	3.1937	0.92086	0.97342
indole-3-acetaldehyde[c]	8	1.9346	0.61655	0.99999	-1.9346	0.43815	1	9.6569	0.12389	0.5729	4	8.3057	0.12133	0.61242	4	5.3513	0.28037	0.83643
indoleacetate[c]	8	1.5696	0.65642	0.99999	-1.5696	0.40123	1	7.6089	0.35567	0.85452	4	6.638	0.30177	0.93225	4	4.1225	0.45547	0.95692
methyl-indole-3-acetate[c];3-O-methyldopa[c];salsoline[c];N-methylsalsolinol[c];salsoline-1-carboxylate[c];3-methoxy-4-hydroxyphenylethyleneglycol[c];2-hydroxy-3-methoxy-17beta-estradiol[c];2-methoxyestradiol-17beta[c];4-methoxy-17beta-estradiol[c];4-methoxyestrone[c];2-methoxyestrone[c];SAM[r];2-methoxyestrone[r];SAH[r];2-hydroxy-3-methoxyestrone[c];5-methoxytryptophol[c];hippurate[c];O-methylhippurate[c]	2	-2.4673	0.87682	0.99999	2.4673	0.17175	0.81745	1.928	0.70496	0.97978	0	NA	NA	NA	2	1.928	0.61642	0.9673
5-hydroxy-L-tryptophan[c]	5	1.241	0.62566	0.99999	-1.241	0.42242	1	1.737	0.91217	0.98725	3	1.7777	0.85936	0.99076	2	0.56924	0.79163	0.9673
5-hydroxy-N-formylkynurenine[c]	3	1.2481	0.56907	0.99999	-1.2481	0.46377	1	-0.80178	0.97027	0.98796	2	0.084426	0.91867	0.99076	1	-1.5081	0.90425	0.97155
5-hydroxykynurenine[c]	2	3.9192	0.23709	0.75506	-3.9192	0.7516	1	3.5773	0.46435	0.92115	2	3.5773	0.52429	0.99076	0	NA	NA	NA
3-hydroxykynurenine-O-beta-D-glucoside[c]	19	-2.1491	0.97545	0.99999	2.1491	0.058402	0.51423	5.2465	0.97237	0.98796	8	2.5572	0.9716	0.99076	11	4.7144	0.73354	0.9673
glutathionyl-3-hydroxykynurenine glucoside[c];5-S-glutathionyl-dopamine[c];5-S-glutathionyl-aminochrome reduced[c];5-S-glutathionyl-adrenochrome hydroquinone[c];5-S-glutathionyl-noradrenochrome hydroquinone[c];5-S-glutathionyl-L-dopa[c];5-S-glutathionyl-dopachrome hydroquinone[c];2-hydroxyestrone-1-S-glutathione[c];estrone-2,3-quinone[c];2-hydroxyestrone-1-S-glutathione[m];estrone-2,3-quinone[m];2-hydroxyestrone-1-S-glutathione[r];estrone-2,3-quinone[r];2-hydroxyestrone-1-S-glutathione[p];estrone-2,3-quinone[p];2-hydroxyestrone-4-S-glutathione[c];2-hydroxyestrone-4-S-glutathione[m];2-hydroxyestrone-4-S-glutathione[r];2-hydroxyestrone-4-S-glutathione[p];4-hydroxyestrone-2-S-glutathione[c];estrone-3,4-quinone[c];4-hydroxyestrone-2-S-glutathione[m];estrone-3,4-quinone[m];4-hydroxyestrone-2-S-glutathione[r];estrone-3,4-quinone[r];4-hydroxyestrone-2-S-glutathione[p];estrone-3,4-quinone[p];17beta-estradiol-3,4-quinone[c];4-hydroxy-17beta-estradiol-2-S-glutathione[c];17beta-estradiol-3,4-quinone[m];4-hydroxy-17beta-estradiol-2-S-glutathione[m];17beta-estradiol-3,4-quinone[r];4-hydroxy-17beta-estradiol-2-S-glutathione[r];17beta-estradiol-3,4-quinone[p];4-hydroxy-17beta-estradiol-2-S-glutathione[p];17beta-estradiol-2,3-quinone[c];2-hydroxy-17beta-estradiol-4-S-glutathione[c];17beta-estradiol-2,3-quinone[m];2-hydroxy-17beta-estradiol-4-S-glutathione[m];17beta-estradiol-2,3-quinone[r];2-hydroxy-17beta-estradiol-4-S-glutathione[r];17beta-estradiol-2,3-quinone[p];2-hydroxy-17beta-estradiol-4-S-glutathione[p];2-hydroxy-17beta-estradiol-1-S-glutathione[c];2-hydroxy-17beta-estradiol-1-S-glutathione[m];2-hydroxy-17beta-estradiol-1-S-glutathione[r];2-hydroxy-17beta-estradiol-1-S-glutathione[p]	19	-2.1491	0.97545	0.99999	2.1491	0.058402	0.51423	5.2465	0.97237	0.98796	8	2.5572	0.9716	0.99076	11	4.7144	0.73354	0.9673
phenylpyruvate[c]	5	8.0442	0.04786	0.36298	-8.0442	0.93988	1	11.047	0.014501	0.22711	4	10.584	0.019927	0.22492	1	3.5338	0.26746	0.83093
salsolinol[c]	76	16.806	0.012867	0.16213	-16.766	0.98895	1	18.336	0.80635	0.98288	61	18.643	0.76583	0.99076	15	3.6772	0.92392	0.97521
salsolinol-1-carboxylate[c]	3	-0.083875	0.71431	0.99999	0.083875	0.33014	0.97846	3.3909	0.61291	0.97734	1	3.1466	0.41617	0.99076	2	1.928	0.61642	0.9673
ascorbate[c]	6	0.032617	0.7745	0.99999	-0.032617	0.28101	0.92566	2.5042	0.89686	0.98725	2	3.2144	0.57912	0.99076	4	0.79408	0.87716	0.97155
dehydroascorbic acid[c]	7	4.0826	0.35278	0.87498	-2.1447	0.4742	1	8.8489	0.16273	0.63401	4	8.6798	0.094427	0.54472	3	3.4944	0.46895	0.9622
adrenaline[c]	7	-2.6084	0.94269	0.99999	2.6005	0.098438	0.67648	8.0359	0.25033	0.768	1	8.0204	0.017092	0.217	6	5.4054	0.39277	0.92837
3,4-dihydroxymandelaldehyde[c]	14	-2.3833	0.96805	0.99999	2.3833	0.067894	0.55509	11.354	0.17219	0.64148	6	6.9152	0.42501	0.99076	8	9.0313	0.083353	0.6068
L-metanephrine[c];normetanephrine[c];3-methoxytyramine[c]	4	-4.6108	0.97412	0.99999	4.6108	0.050149	0.4923	3.9553	0.61809	0.97734	0	NA	NA	NA	4	3.9553	0.48089	0.9652
3-methoxy-4-hydroxyphenylglycolaldehyde[c];3-methoxy-4-hydroxyphenylacetaldehyde[c]	6	0.14636	0.76443	0.99999	-0.14636	0.29103	0.93502	6.1906	0.44784	0.90843	3	4.437	0.51735	0.99076	3	4.3177	0.34645	0.90068
vanillylmandelate[c];3,4-dihydroxymandelate[c];3,4-dihydroxyphenylacetate[c];homovanillate[c]	6	1.0621	0.67499	0.99999	-1.0621	0.37708	1	5.1873	0.59813	0.9765	3	4.437	0.51735	0.99076	3	2.8989	0.56016	0.9673
3,4-dihydroxyphenylethyleneglycol[c];5-hydroxytryptophol[c]	10	-4.0368	0.98465	0.99999	4.0368	0.035186	0.39811	9.5013	0.21704	0.72116	3	5.3425	0.37884	0.98993	7	7.8588	0.14562	0.65625
4-hydroxyphenylpyruvate[c]	6	10.221	0.013362	0.16455	-10.221	0.98027	1	12.923	0.0036942	0.11251	5	12.576	0.0042813	0.10085	1	3.5338	0.26746	0.83093
homogentisate[c]	2	2.6765	0.36285	0.88311	-2.6763	0.64168	1	7.7361	0.047117	0.37208	1	7.4067	0.030199	0.27685	1	3.5338	0.26746	0.83093
4-maleylacetoacetate[c]	2	6.5834	0.067085	0.41597	-6.5833	0.91279	1	6.2812	0.1315	0.58332	2	6.2812	0.16535	0.72465	0	NA	NA	NA
fumarylacetoacetate[c]	2	2.839	0.3451	0.86079	-2.839	0.65704	1	2.3994	0.64026	0.97967	2	2.3994	0.69539	0.99076	0	NA	NA	NA
N-methyltyramine[c]	3	-6.7543	0.99428	0.99999	14.297	1.5968e-05	0.0023432	7.5905	0.094498	0.51052	0	NA	NA	NA	3	7.5905	0.04896	0.47977
3,5,3-triiodo-L-thyronine-beta-D-glucuronoside[c];3,5,3-triiodo-L-thyronine-beta-D-glucuronoside[r];3,5,3,5-tetraiodo-L-thyronine-beta-D-glucuronoside[c];3,5,3,5-tetraiodo-L-thyronine-beta-D-glucuronoside[r];3,3-diiodo-L-thyronine-beta-D-glucuronoside[c];3,3-diiodo-L-thyronine-beta-D-glucuronoside[r];3,3,5-triiodo-L-thyronine-beta-D-glucuronoside[c];3,3,5-triiodo-L-thyronine-beta-D-glucuronoside[r];3,5-diiodo-L-thyronine-beta-D-glucuronoside[c];3,5-diiodo-L-thyronine-beta-D-glucuronoside[r];9-hydroxy-10-O-D-glucuronoside-(12Z)-octadecenoate[c];9-hydroxy-10-O-D-glucuronoside-(12Z)-octadecenoate[r];10-hydroxy-octadec-(12Z)-enoate-9-beta-D-glucuronide[c];10-hydroxy-octadec-(12Z)-enoate-9-beta-D-glucuronide[r];12-hydroxy-13-O-D-glucuronoside-octadec-(9Z)-enoate[c];12-hydroxy-13-O-D-glucuronoside-octadec-(9Z)-enoate[r];12-O-D-glucuronoside-13-hydroxyoctadec-(9Z)-enoate[c];12-O-D-glucuronoside-13-hydroxyoctadec-(9Z)-enoate[r];bilirubin[r];9-cis-retinoyl-beta-D-glucuronide[c];9-cis-retinoyl-beta-D-glucuronide[r];4-oxo-9-cis-retinoyl-beta-glucuronide[c];4-oxo-9-cis-retinoyl-beta-glucuronide[r];13-cis-retinoyl-glucuronide[c];13-cis-retinoyl-beta-D-glucuronide[r];rac-5,6-epoxy-retinoyl-beta-D-glucuronide[c];rac-5,6-epoxy-retinoyl-beta-D-glucuronide[r];rac-4-hydroxy-4-O-(beta-D-glucuronide)-all-trans-retinoate[c];rac-4-hydroxy-4-O-(beta-D-glucuronide)-all-trans-retinoate[r];trichloroethanol glucuronide[c];4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide[c];NNAL-N-glucuronide[c];4-hydroxy-all-trans-retinyl-acetate[c];rac-4-hydroxy-4-O-(beta-D-glucuronide)-all-trans-retinyl-acetate[c];4-hydroxy-all-trans-retinyl-acetate[r];rac-4-hydroxy-4-O-(beta-D-glucuronide)-all-trans-retinyl-acetate[r]	9	7.5842	0.09709	0.49407	-7.5842	0.89714	1	8.3392	0.315	0.83305	8	8.1711	0.39106	0.99076	1	1.9063	0.50057	0.96722
triiodothyronine[r];3,3-diiodo-L-thyronine[r]	12	8.6018	0.074172	0.43737	-8.6018	0.9203	1	9.4099	0.32682	0.8439	10	9.6549	0.3036	0.9323	2	1.4604	0.68213	0.9673
UDP-glucuronate[r]	11	7.44	0.12132	0.53992	-7.44	0.87723	1	9.8738	0.22213	0.72606	9	9.3256	0.2844	0.91049	2	3.3736	0.40018	0.93245
thyroxine[c]	15	6.6786	0.22231	0.74145	-6.6786	0.79447	1	10.324	0.32515	0.84205	12	9.1155	0.49799	0.99076	3	4.8545	0.27372	0.83213
thyroxine[r];reverse triiodthyronine[r];3,5-diiodo-L-thyronine[r]	11	9.2187	0.045895	0.35709	-9.2187	0.94713	1	9.7804	0.23277	0.74802	10	9.6549	0.3036	0.9323	1	1.9063	0.50057	0.96722
dopamine-O-quinone[c]	24	-0.33727	0.94647	0.99999	0.33727	0.10839	0.70084	5.6868	0.98836	0.99287	13	3.3903	0.99075	0.99485	11	4.7144	0.73354	0.9673
dopaminochrome[c]	23	-1.0553	0.96192	0.99999	1.0553	0.085348	0.61851	5.167	0.99073	0.99468	12	2.6396	0.99396	0.99665	11	4.7144	0.73354	0.9673
adrenochrome[c];noradrenochrome[c]	20	-1.7186	0.97004	0.99999	1.7186	0.069347	0.55509	5.41	0.97701	0.98796	9	2.8527	0.97332	0.99076	11	4.7144	0.73354	0.9673
3,3-diiodo-L-thyronine[c]	33	8.6871	0.21784	0.73135	-8.6869	0.81964	1	14.546	0.36085	0.85452	23	13.942	0.30062	0.93225	10	5.2802	0.6175	0.9673
iodide[r]	3	4.0675	0.256	0.78813	-4.0675	0.74116	1	4.3759	0.46474	0.92115	2	5.2469	0.28186	0.91049	1	0.15902	0.74829	0.9673
3,3-diiodo-L-thyronine-4-O-sulfate[c]	21	4.3875	0.54983	0.99999	-4.3872	0.52462	1	11.121	0.45874	0.91905	13	10.077	0.40505	0.99076	8	5.1732	0.53886	0.9673
reverse triiodthyronine[c]	16	7.8346	0.14362	0.58681	-7.8346	0.86332	1	9.9246	0.43601	0.90068	13	9.5721	0.4823	0.99076	3	2.994	0.54569	0.9673
3,5-diiodo-L-thyronine[c]	14	9.181	0.063314	0.40467	-9.181	0.93228	1	8.9875	0.4832	0.93172	12	9.5509	0.43088	0.99076	2	0.38395	0.81124	0.9673
3,5-diiodo-L-thyronine-4-O-sulfate[c];3-monoiodo-L-thyronine-4-O-sulfate[c]	3	2.1806	0.46001	0.96667	-2.1806	0.56084	1	0.6872	0.90613	0.98725	2	1.8056	0.7698	0.99076	1	-1.3633	0.8945	0.97155
3-monoiodo-L-thyronine[c]	5	5.1874	0.20274	0.69596	-5.1874	0.79364	1	3.8508	0.70921	0.97978	4	4.9869	0.54907	0.99076	1	-1.3633	0.8945	0.97155
3-monoiodo-L-thyronine[r]	2	5.5314	0.11722	0.53589	-5.5314	0.86219	1	5.2469	0.2341	0.74938	2	5.2469	0.28186	0.91049	0	NA	NA	NA
2-phenylacetamide[c]	5	5.2822	0.19502	0.68687	-5.2822	0.80052	1	4.3609	0.63954	0.97967	5	4.3609	0.71843	0.99076	0	NA	NA	NA
L-cystathionine[c];selenocystathionine[c]	2	5.7892	0.10299	0.50703	-5.7892	0.87614	1	5.5577	0.1994	0.68987	2	5.5577	0.24317	0.861	0	NA	NA	NA
cysteine[c]	43	16.133	0.0037093	0.071781	-15.918	0.99469	1	20.578	0.025706	0.30818	35	19.332	0.071046	0.46847	8	7.2715	0.23959	0.81031
mercaptopyruvate[c]	7	7.3116	0.093153	0.48259	-7.3116	0.89796	1	6.2096	0.50898	0.9497	7	6.2096	0.61115	0.99076	0	NA	NA	NA
5-methyl-THF[c]	6	-7.6622	0.99863	0.99999	7.6622	0.0050398	0.12327	6.8035	0.35828	0.85452	1	-0.95186	0.91793	0.99076	5	7.8785	0.08142	0.60429
homocysteine-thiolactone[c]	3	3.4823	0.31437	0.84899	-3.4823	0.68926	1	2.9029	0.68186	0.97978	3	2.9029	0.73892	0.99076	0	NA	NA	NA
sulfite[c]	22	4.4034	0.56468	0.99999	-4.4031	0.51506	1	10.835	0.54314	0.9571	14	9.6719	0.52184	0.99076	8	5.1732	0.53886	0.9673
H2S2O3[c]	2	0.54544	0.60825	0.99999	-0.54544	0.42864	1	-0.75647	0.94076	0.98796	2	-0.75647	0.95707	0.99076	0	NA	NA	NA
cystine[c]	9	6.8631	0.13833	0.576	-6.8631	0.85972	1	5.5318	0.72316	0.97978	8	5.8489	0.73427	0.99076	1	0.052198	0.76113	0.9673
DNA-5-methylcytosine[c];DNA[n];DNA-5-methylcytosine[n];se-adenosylselenomethionine[n];se-adenosyl-L-selenohomocysteine[n]	4	7.8987	0.047453	0.36175	-7.8987	0.93978	1	9.4194	0.038039	0.33548	3	9.9929	0.017145	0.217	1	1.5304	0.55766	0.9673
sulfite[m]	3	0.93891	0.6045	0.99999	-0.93891	0.43177	1	-0.46033	0.96034	0.98796	3	-0.46033	0.97427	0.99076	0	NA	NA	NA
H2O2[m]	51	2.5643	0.92748	0.99999	2.9361	0.0072952	0.1647	16.122	0.61485	0.97734	33	10.786	0.95274	0.99076	18	12.533	0.043461	0.44597
H2S[c]	2	5.7892	0.10299	0.50703	-5.7892	0.87614	1	5.5577	0.1994	0.68987	2	5.5577	0.24317	0.861	0	NA	NA	NA
S-methyl-5-thio-D-ribulose-1-phosphate[c]	2	-1.5047	0.80966	0.99999	1.5047	0.24132	0.90054	-0.097707	0.90494	0.98725	0	NA	NA	NA	2	-0.097707	0.85664	0.96952
2,3-diketo-5-methylthiopentyl-1-phosphate[c]	2	1.5103	0.49661	0.98706	-1.5103	0.52628	1	4.1498	0.37922	0.8596	1	4.072	0.2831	0.91049	1	1.7967	0.51727	0.9673
1,2-dihydroxy-5-(methylthio)pent-1-en-3-one[c]	2	2.9276	0.33557	0.85825	-2.9276	0.6653	1	1.8461	0.71562	0.97978	1	4.072	0.2831	0.91049	1	-1.4612	0.90117	0.97155
CO[c]	3	-0.48825	0.75334	0.99999	0.48825	0.29275	0.93502	0.95929	0.88755	0.98725	1	1.1292	0.71814	0.99076	2	0.37643	0.81201	0.9673
4-methylthio-2-oxobutanoic acid[c]	3	6.0173	0.10943	0.52081	-6.0173	0.87641	1	5.0595	0.36355	0.85452	2	7.2298	0.090888	0.53897	1	-1.4612	0.90117	0.97155
cysteine[m]	2	4.2104	0.21151	0.71767	-4.2104	0.77449	1	3.5848	0.46322	0.92115	2	3.5848	0.52315	0.99076	0	NA	NA	NA
thiosulfate[c]	3	0.26903	0.67802	0.99999	-0.26903	0.36423	1	-1.0256	0.97558	0.98796	2	-0.75647	0.95707	0.99076	1	-0.70653	0.84131	0.96952
hydrogen-cyanide[c];hydrogen-cyanide[m];thiocyanate[m]	2	0.54544	0.60825	0.99999	-0.54544	0.42864	1	-0.75647	0.94076	0.98796	2	-0.75647	0.95707	0.99076	0	NA	NA	NA
thiocyanate[c]	10	3.362	0.49536	0.98679	-3.362	0.55053	1	2.2213	0.97698	0.98796	8	2.6057	0.97036	0.99076	2	-0.24443	0.86887	0.97056
3-mercaptolactate[c]	3	4.2861	0.23574	0.75506	-4.2861	0.75932	1	3.8067	0.55111	0.9571	3	3.8067	0.61356	0.99076	0	NA	NA	NA
thiosulfate[m]	2	0.54544	0.60825	0.99999	-0.54544	0.42864	1	-0.75647	0.94076	0.98796	2	-0.75647	0.95707	0.99076	0	NA	NA	NA
hypothiocyanite[c]	8	3.4861	0.4383	0.94129	-3.4861	0.5972	1	2.8617	0.92662	0.98796	6	3.4455	0.87607	0.99076	2	-0.24443	0.86887	0.97056
3-sulfopyruvate[c]	4	5.4614	0.16709	0.63966	-5.4614	0.82386	1	6.2931	0.27858	0.79884	3	6.6994	0.20155	0.81349	1	0.98257	0.63848	0.9673
L-cysteate[c]	4	7.7858	0.050767	0.37406	-7.7858	0.93626	1	8.2589	0.091209	0.50399	3	9.3151	0.031935	0.28506	1	0.38357	0.72015	0.9673
3-sulfopyruvate[m]	2	8.0573	0.02677	0.27174	-8.0573	0.95851	1	7.888	0.041698	0.34962	2	7.888	0.056264	0.41669	0	NA	NA	NA
(S)-3-sulfolactate[c]	2	-0.16028	0.68508	0.99999	0.16028	0.35957	1	1.1885	0.794	0.97978	1	0.69817	0.77214	0.99076	1	0.98257	0.63848	0.9673
H+[n]	12	4.2882	0.42633	0.9312	-4.2882	0.6168	1	10.527	0.19162	0.67873	7	9.8885	0.12887	0.62516	5	4.6077	0.44146	0.95692
GSH[s]	20	3.4181	0.65322	0.99999	-0.47708	0.17834	0.81747	12.933	0.18382	0.66199	14	9.1697	0.59837	0.99076	6	9.6044	0.029929	0.38449
GSSG[s]	11	4.9465	0.32897	0.85656	-0.98074	0.30985	0.95391	10.541	0.15465	0.61753	8	8.7072	0.31388	0.93291	3	5.9648	0.15172	0.66182
cys-gly[s]	9	1.6126	0.67172	0.99999	-1.6126	0.39044	1	6.268	0.62196	0.97734	6	4.3495	0.78966	0.99076	3	4.7054	0.29316	0.84684
glutamate[s]	14	1.9199	0.72407	0.99999	-1.9199	0.35159	1	9.4991	0.40617	0.87762	8	7.2794	0.52789	0.99076	6	6.1046	0.29455	0.84854
gamma-glutamyl-cysteine[c]	5	12.538	0.0014507	0.038568	-12.523	0.99659	1	12.219	0.0042839	0.11803	5	12.219	0.0063921	0.13295	0	NA	NA	NA
cysteine[s]	25	12.051	0.023249	0.2493	-11.776	0.97019	1	13.527	0.26868	0.78466	20	13.419	0.25723	0.88133	5	3.4108	0.62155	0.9673
glycine[s]	28	7.0199	0.33896	0.85825	-6.7606	0.69233	1	11.443	0.65921	0.97978	19	10.559	0.62745	0.99076	9	4.8427	0.64086	0.9673
(5-L-glutamyl)-L-amino acid[s]	6	5.0414	0.24011	0.75751	-5.0277	0.76241	1	6.3057	0.43066	0.89751	5	5.72	0.51898	0.99076	1	2.6554	0.38788	0.92837
beta-alanine[c]	13	1.9109	0.70133	0.99999	-1.9109	0.37124	1	6.9786	0.72208	0.97978	8	5.3793	0.79054	0.99076	5	4.4483	0.46556	0.96094
selenate[c]	3	-6.3252	0.99187	0.99999	6.3252	0.019088	0.28492	5.5932	0.29034	0.80604	0	NA	NA	NA	3	5.5932	0.1878	0.7212
adenylylselenate[c];3-phosphoadenylylselenate[c]	2	-7.5308	0.99592	0.99999	7.5308	0.01264	0.2203	7.3499	0.063461	0.43485	0	NA	NA	NA	2	7.3499	0.038961	0.43412
selenite[c]	3	3.0264	0.36342	0.88311	-3.0264	0.64597	1	3.0408	0.66288	0.97978	2	3.6872	0.50754	0.99076	1	0.052198	0.76113	0.9673
selenide[c]	6	6.7552	0.11403	0.53122	-6.7552	0.87729	1	6.5312	0.39742	0.87507	5	7.1313	0.30735	0.9323	1	0.052198	0.76113	0.9673
selenophosphate[c]	2	6.0585	0.089516	0.47769	-6.0585	0.88961	1	5.8201	0.17266	0.64148	2	5.8201	0.21288	0.81871	0	NA	NA	NA
pyridoxal-phosphate[c]	8	5.8444	0.19993	0.69306	-5.8444	0.80422	1	7.5513	0.36393	0.85452	7	6.8078	0.52089	0.99076	1	3.3463	0.29155	0.84684
pyridoxine-phosphate[c]	5	3.6525	0.35059	0.8708	-3.6525	0.66437	1	6.1921	0.36747	0.85452	4	5.2498	0.50838	0.99076	1	3.3463	0.29155	0.84684
selenocysteine[c];methaneselenol[c]	2	4.8984	0.15789	0.61742	-4.8984	0.82355	1	4.618	0.31354	0.83305	2	4.618	0.3681	0.98624	0	NA	NA	NA
selenohomocysteine[c]	5	5.5602	0.17343	0.65118	-5.5602	0.8199	1	4.3431	0.64206	0.97967	5	4.3431	0.72076	0.99076	0	NA	NA	NA
se-adenosyl-L-selenohomocysteine[c]	3	4.7462	0.19614	0.68806	-4.7462	0.79518	1	3.9456	0.5301	0.95062	3	3.9456	0.59274	0.99076	0	NA	NA	NA
selenomethionine[c]	12	2.6962	0.60994	0.99999	1.0751	0.13941	0.75377	9.4466	0.32182	0.83906	7	7.541	0.40927	0.99076	5	5.7121	0.28476	0.84468
selenomethionine-se-oxide[c];trimethylamine[c];trimethylamine-N-oxide[c]	5	-3.9274	0.96633	0.99999	9.7697	0.0012345	0.041806	7.549	0.1965	0.68933	2	1.8177	0.76839	0.99076	3	8.2615	0.027849	0.37133
se-adenosylselenomethionine[c]	3	1.521	0.53732	0.99999	-1.521	0.49221	1	1.1155	0.87576	0.98725	1	3.4689	0.36777	0.98624	2	-1.0867	0.9252	0.97581
tRNA(met)[c]	3	6.4279	0.088441	0.4744	-6.4279	0.897	1	5.254	0.33611	0.84884	3	5.254	0.392	0.99076	0	NA	NA	NA
selenomethionyl-tRNA(met)[c]	2	7.8357	0.031056	0.29377	-7.8357	0.95325	1	7.6604	0.050023	0.37807	2	7.6604	0.066816	0.45903	0	NA	NA	NA
3-hydroxyisobutyryl-CoA[m]	3	3.5084	0.31165	0.84899	-3.5084	0.69167	1	2.4821	0.73671	0.97978	3	2.4821	0.78918	0.99076	0	NA	NA	NA
methylmalonate[m]	7	0.088443	0.7851	0.99999	-0.088443	0.27563	0.91754	7.5014	0.31926	0.83848	4	4.9513	0.55456	0.99076	3	5.7414	0.17282	0.6884
3-methylglutaconyl-CoA[m]	3	2.4722	0.42613	0.9312	-2.4722	0.59072	1	3.3422	0.61999	0.97734	1	5.6202	0.11917	0.61024	2	0.11935	0.83718	0.96952
HMG-CoA[m]	5	-3.9505	0.96683	0.99999	3.9505	0.062922	0.53529	3.49	0.75433	0.97978	2	-0.65267	0.95332	0.99076	3	5.0385	0.25066	0.81713
chitobiose[l];chondroitin sulfate C (GalNAc6S-GlcA), degradation product 5[l];chondroitin sulfate D (GlcNAc6S-GlcA2S), degradation product 2[l];chondroitin sulfate D (GlcNAc6S-GlcA2S), degradation product 6[l];chondroitin sulfate E (GalNAc4,6diS-GlcA), degradation product 7[l]	3	-1.1926	0.81389	0.99999	1.1926	0.23279	0.88301	-0.50395	0.96174	0.98796	1	-1.7498	0.95575	0.99076	2	0.62011	0.78604	0.9673
N-acetylglucosamine[l]	7	-0.26975	0.8144	0.99999	0.26975	0.2456	0.9048	-0.87789	0.99677	0.99818	4	-1.6636	0.99665	0.99665	3	0.57993	0.85182	0.96952
UDP-xylose[r]	3	2.7616	0.39304	0.91149	-2.7616	0.61988	1	5.9876	0.24112	0.75796	2	5.3076	0.27408	0.90809	1	2.8647	0.35762	0.91164
N-acetylglucosamine-1-phosphate[c]	3	4.7928	0.19237	0.68384	-4.7928	0.79863	1	6.2272	0.21359	0.71644	2	6.7847	0.12197	0.61384	1	1.1908	0.60828	0.9673
UDP-N-acetylglucosamine[c]	24	3.1423	0.72512	0.99999	-2.7285	0.32738	0.97846	9.7114	0.76743	0.97978	11	10.099	0.29989	0.93225	13	3.9053	0.873	0.97155
UDP-N-acetyl-D-galactosamine[c]	8	6.7896	0.13198	0.56414	-6.7895	0.86466	1	9.569	0.13092	0.58243	5	10.505	0.034333	0.30015	3	2.0637	0.68188	0.9673
N-acetylglucosamine[c]	7	0.52968	0.74556	0.99999	-0.52968	0.31494	0.96437	1.9876	0.9486	0.98796	5	0.49999	0.98149	0.99076	2	2.9278	0.46669	0.96171
N-acetylglucosamine-6-phosphate[c]	4	6.3507	0.11072	0.52271	-6.19	0.86786	1	5.6802	0.36153	0.85452	3	6.5802	0.21483	0.82176	1	-0.036749	0.77154	0.9673
UDP-N-acetylglucosamine[r]	8	0.80483	0.73413	0.99999	-0.80483	0.327	0.97846	1.5142	0.97547	0.98796	3	2.9252	0.73608	0.99076	5	-0.35049	0.95951	0.98432
N-acetyl-D-mannosamine[c]	2	-0.81792	0.75017	0.99999	0.81792	0.29905	0.9354	2.1774	0.67138	0.97978	1	0.87427	0.75081	0.99076	1	2.2051	0.45512	0.95692
N-acetylmannosamine-6-phosphate[c]	2	3.6217	0.26489	0.79738	-3.6217	0.727	1	3.1916	0.52289	0.95019	2	3.1916	0.58252	0.99076	0	NA	NA	NA
N-acetylneuraminate-9-phosphate[c]	2	4.3313	0.20139	0.69415	-4.3313	0.78363	1	4.0138	0.39908	0.87507	2	4.0138	0.45781	0.99076	0	NA	NA	NA
N-acetylneuraminate[c]	6	3.7102	0.37525	0.8942	-3.7102	0.64535	1	3.6709	0.79456	0.97978	5	3.6558	0.80329	0.99076	1	0.81719	0.66188	0.9673
CMP-N-acetylneuraminate[n]	2	0.41849	0.6225	0.99999	-0.41849	0.41598	1	5.4994	0.20567	0.70054	1	4.1959	0.26694	0.89826	1	3.5814	0.26151	0.82667
dTDP-glucose[c]	2	4.6014	0.17984	0.66117	-4.6014	0.80326	1	4.2765	0.361	0.85452	2	4.2765	0.41825	0.99076	0	NA	NA	NA
chitin-component[c];chitin[c];chitin(n-1)[c]	4	1.6864	0.54982	0.99999	-1.6864	0.48629	1	2.5762	0.79505	0.97978	3	1.8573	0.85234	0.99076	1	1.9355	0.49611	0.96722
CMP-N-acetylneuraminate[c]	14	-8.2583	0.99982	0.99999	8.2583	0.0013151	0.043696	10.091	0.32152	0.83906	3	2.7899	0.75299	0.99076	11	9.9275	0.088939	0.6069
UDP-glucuronate[g]	10	7.3412	0.11897	0.53858	-7.3393	0.8786	1	8.8224	0.30041	0.82019	7	9.5544	0.15785	0.70929	3	1.5129	0.75335	0.9673
UDP-xylose[g]	2	-1.2833	0.7915	0.99999	1.2833	0.25925	0.90708	2.6041	0.61072	0.97734	1	0.81805	0.75773	0.99076	1	2.8647	0.35762	0.91164
tRNA(tyr)[c];L-tyrosyl-tRNA(tyr)[c]	3	5.1996	0.16135	0.62585	-5.1996	0.82721	1	3.9949	0.52262	0.95019	3	3.9949	0.58528	0.99076	0	NA	NA	NA
tRNA(ala)[c];L-alanyl-tRNA(ala)[c]	3	5.0659	0.17116	0.6476	-5.0659	0.81812	1	3.8518	0.5443	0.9571	3	3.8518	0.60683	0.99076	0	NA	NA	NA
tRNA(arg)[c];L-arginyl-tRNA(arg)[c]	4	3.2304	0.37411	0.8939	-3.2304	0.64063	1	1.347	0.9016	0.98725	3	2.3902	0.79936	0.99076	1	-1.4459	0.90015	0.97155
tRNA(asn)[c];L-asparaginyl-tRNA(asn)[c]	3	2.5635	0.41562	0.92529	-2.5635	0.59999	1	1.1864	0.87014	0.98725	3	1.1864	0.90446	0.99076	0	NA	NA	NA
tRNA(asp)[c];L-aspartyl-tRNA(asp)[c]	3	7.4393	0.049669	0.36906	-7.3829	0.93506	1	6.2748	0.20835	0.70287	3	6.2748	0.2511	0.86808	0	NA	NA	NA
tRNA(cys)[c];L-cysteinyl-tRNA(cys)[c]	2	2.7078	0.35941	0.88109	-2.7078	0.64467	1	1.1248	0.80084	0.98237	2	1.1248	0.84097	0.99076	0	NA	NA	NA
tRNA(gln)[c];L-glutaminyl-tRNA(gln)[c]	2	0.46693	0.61708	0.99999	-0.46693	0.4208	1	-1.302	0.96155	0.98796	2	-1.302	0.97296	0.99076	0	NA	NA	NA
tRNA(glu)[c];L-glutamyl-tRNA(glu)[c]	3	8.0725	0.033294	0.30067	-8.0692	0.95489	1	6.9261	0.14449	0.60294	3	6.9261	0.17768	0.75071	0	NA	NA	NA
tRNA(gly)[c];glycyl-tRNA(gly)[c]	2	5.6907	0.10827	0.51954	-5.6877	0.87077	1	4.3675	0.3481	0.85452	2	4.3675	0.40472	0.99076	0	NA	NA	NA
tRNA(his)[c];L-histidyl-tRNA(his)[c]	3	3.4847	0.31411	0.84899	-3.4847	0.68949	1	2.1823	0.77262	0.97978	3	2.1823	0.82126	0.99076	0	NA	NA	NA
tRNA(ile)[c];L-isoleucyl-tRNA(ile)[c]	2	9.4117	0.0099516	0.13799	-9.4117	0.98117	1	9.2657	0.012034	0.21406	2	9.2657	0.017275	0.21702	0	NA	NA	NA
tRNA(leu)[c];L-leucyl-tRNA(leu)[c]	3	3.6312	0.29898	0.8365	-3.6312	0.70289	1	2.3571	0.75203	0.97978	3	2.3571	0.80295	0.99076	0	NA	NA	NA
tRNA(lys)[c];L-lysyl-tRNA(lys)[c]	2	3.4241	0.28422	0.81649	-3.4241	0.71002	1	2.062	0.68711	0.97978	2	2.062	0.73898	0.99076	0	NA	NA	NA
L-methionyl-tRNA(met)[c]	4	5.5687	0.15945	0.62009	-5.5687	0.83086	1	3.1832	0.72361	0.97978	4	3.1832	0.79541	0.99076	0	NA	NA	NA
tRNA(phe)[c];L-phenylalanyl-tRNA(phe)[c]	4	4.638	0.23338	0.75134	-4.638	0.76417	1	3.7226	0.65129	0.97978	3	4.4495	0.51543	0.99076	1	-0.26146	0.79667	0.9673
tRNA(pro)[c];L-prolyl-tRNA(pro)[c]	3	7.2403	0.055972	0.38806	-7.237	0.93008	1	6.074	0.23098	0.74496	3	6.074	0.27661	0.91049	0	NA	NA	NA
tRNA(ser)[c];L-seryl-tRNA(ser)[c]	3	2.6681	0.40366	0.91859	-2.6681	0.61052	1	0.95174	0.8881	0.98725	2	2.0079	0.74565	0.99076	1	-1.1912	0.88201	0.97155
tRNA(thr)[c];L-threonyl-tRNA(thr)[c]	4	7.8716	0.048232	0.36298	-7.8905	0.93953	1	6.6446	0.23561	0.74938	4	6.6446	0.30088	0.93225	0	NA	NA	NA
tRNA(trp)[c];L-tryptophanyl-tRNA(trp)[c]	3	-0.33673	0.73906	0.99999	0.33673	0.30653	0.94536	-0.39681	0.95822	0.98796	2	-1.1589	0.96936	0.99076	1	0.95167	0.6429	0.9673
CMP-N-acetylneuraminate[g];CMP[g]	16	-7.156	0.99958	0.99999	7.156	0.0025962	0.075644	10.066	0.41473	0.88205	4	3.7288	0.73006	0.99076	12	9.4709	0.13999	0.65625
T-antigen[g]	9	6.9398	0.13345	0.56524	-6.3031	0.82492	1	8.3067	0.31942	0.83848	6	9.4154	0.12342	0.61746	3	1.0723	0.80364	0.9673
sialyl-T antigen[g]	4	2.0754	0.5051	0.9898	-2.0754	0.52592	1	2.9066	0.7576	0.97978	2	3.8265	0.48631	0.99076	2	0.28407	0.82131	0.96952
Tn-antigen[g]	23	12.578	0.015578	0.1892	-11.62	0.96715	1	18.915	0.001993	0.081274	16	18.8	0.00063623	0.032698	7	5.8627	0.38232	0.92405
UDP-N-acetylglucosamine[g]	30	6.2117	0.45253	0.95781	-5.4917	0.55092	1	13.843	0.36649	0.85452	16	14.264	0.071354	0.46847	14	5.0157	0.79345	0.9673
core 4[g]	5	13.898	0.00036906	0.013828	-13.035	0.99772	1	13.571	0.00083771	0.052686	5	13.571	0.0012747	0.052729	0	NA	NA	NA
G00031[g]	4	6.1784	0.12041	0.53992	-5.2233	0.80767	1	7.4565	0.15181	0.61328	3	7.7696	0.10525	0.58525	1	1.4556	0.56893	0.9673
[protein]-L-serine[g]	17	9.0635	0.079631	0.45199	-8.4115	0.89059	1	15.863	0.0090221	0.18473	11	15.483	0.0046216	0.10451	6	5.7382	0.34469	0.90068
UDP-N-acetyl-D-galactosamine[g]	24	9.2914	0.11646	0.53547	-8.7426	0.86404	1	17.238	0.015912	0.22865	14	17.537	0.0013985	0.053365	10	5.9554	0.51532	0.9673
core 2[g]	7	4.8218	0.2763	0.80696	-4.0998	0.67015	1	6.499	0.46502	0.92115	4	7.6688	0.17866	0.75071	3	1.0723	0.80364	0.9673
trans,trans,cis-geranyl-geranyl-pp[c]	3	4.3258	0.23216	0.75068	-4.3258	0.76255	1	3.7749	0.55589	0.9571	3	3.7749	0.61827	0.99076	0	NA	NA	NA
dimethylallyl-PP[c]	6	1.037	0.67762	0.99999	-1.037	0.37461	1	5.0296	0.62103	0.97734	4	3.5816	0.74866	0.99076	2	3.6464	0.36075	0.9117
farnesyl-PP[c]	8	2.9397	0.50152	0.9894	-2.9397	0.54166	1	3.3147	0.89925	0.98725	5	4.0456	0.75843	0.99076	3	0.19006	0.88384	0.97155
isopentenyl-pPP[c]	9	0.92203	0.74094	0.99999	-0.92203	0.32395	0.97551	4.7398	0.81468	0.9838	5	3.8916	0.77679	0.99076	4	2.7588	0.65896	0.9673
dolichyl-phosphate[c]	8	7.9152	0.074261	0.43737	-7.9152	0.91819	1	6.7223	0.48805	0.93522	7	7.8428	0.36488	0.98624	1	-1.7368	0.91827	0.97296
dolichyl-phosphate[r]	14	11.827	0.010693	0.14374	-11.827	0.98522	1	10.216	0.30465	0.82908	13	10.937	0.28296	0.91049	1	-1.2078	0.88326	0.97155
N-acetyl-D-glucosaminyldiphosphodolichol[c]	3	3.6689	0.29514	0.83489	-3.6689	0.7063	1	2.7289	0.70513	0.97978	3	2.7289	0.76042	0.99076	0	NA	NA	NA
N,N-chitobiosyldiphosphodolichol[c]	3	3.2462	0.33942	0.85825	-3.2462	0.66712	1	2.2928	0.75972	0.97978	3	2.2928	0.80981	0.99076	0	NA	NA	NA
beta-D-mannosyldiacetylchitobiosyldiphosphodolichol[c]	2	2.8658	0.34221	0.85844	-2.8658	0.65955	1	1.7509	0.7278	0.97978	1	3.9749	0.29609	0.93225	1	-1.4989	0.90365	0.97155
G00005[c]	2	-0.020042	0.67031	0.99999	0.020042	0.37301	1	-2.2632	0.98362	0.98987	1	-1.7018	0.95396	0.99076	1	-1.4989	0.90365	0.97155
dolichyl-phosphate-D-mannose[c]	5	4.4569	0.2681	0.7984	-4.4569	0.73607	1	3.2183	0.78564	0.97978	4	4.4666	0.62773	0.99076	1	-1.7368	0.91827	0.97296
dolichyl-phosphate-D-mannose[r]	8	7.8556	0.07673	0.44361	-7.8556	0.91583	1	6.6292	0.5023	0.94706	7	7.5434	0.40891	0.99076	1	-1.2078	0.88326	0.97155
G10595[r]	2	5.8848	0.098048	0.49616	-5.8848	0.88105	1	5.501	0.2055	0.70054	2	5.501	0.25002	0.86808	0	NA	NA	NA
G10596[r];G10597[r]	2	2.5227	0.37991	0.89804	-2.5227	0.62696	1	2.0134	0.69364	0.97978	2	2.0134	0.74498	0.99076	0	NA	NA	NA
G00007[r]	2	3.8244	0.24577	0.76738	-3.8244	0.74389	1	3.3949	0.49203	0.93874	2	3.3949	0.55198	0.99076	0	NA	NA	NA
UDP-glucose[r]	2	1.1836	0.53483	0.99999	-1.1836	0.49311	1	-0.23747	0.91364	0.98725	2	-0.23747	0.93565	0.99076	0	NA	NA	NA
dolichyl-D-glucosyl-phosphate[r]	5	7.2506	0.07575	0.44171	-7.2506	0.91144	1	6.1579	0.37237	0.85654	5	6.1579	0.45091	0.99076	0	NA	NA	NA
G10598[r]	2	7.5934	0.036378	0.31321	-7.5934	0.94689	1	7.4058	0.060851	0.42189	2	7.4058	0.080365	0.4976	0	NA	NA	NA
G10599[r]	3	6.9217	0.067359	0.41621	-6.9217	0.91833	1	6.5502	0.17954	0.65257	3	6.5502	0.21826	0.82479	0	NA	NA	NA
(Glc)3 (GlcNAc)2 (Man)9 (PP-Dol)1[r]	9	11.028	0.010626	0.14374	-11.028	0.98444	1	10.353	0.10529	0.52825	9	10.353	0.16685	0.72744	0	NA	NA	NA
[protein]-L-asparagine[r]	7	10.463	0.012457	0.15896	-10.463	0.98143	1	9.9015	0.083115	0.47367	7	9.9015	0.12782	0.62516	0	NA	NA	NA
(alpha-D-Glucosyl)3-(alpha-D-mannosyl)8-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine (protein)[r]	8	11.481	0.0065149	0.10336	-11.481	0.98973	1	10.906	0.051039	0.3816	8	10.906	0.090252	0.53708	0	NA	NA	NA
dolichyl-diphosphate[r]	8	11.846	0.0048105	0.084713	-11.846	0.99204	1	11.279	0.037697	0.33548	8	11.279	0.06887	0.46168	0	NA	NA	NA
(alpha-D-Glucosyl)2-(alpha-D-mannosyl)8-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine (protein)[r]	2	6.6882	0.063178	0.40467	-6.6882	0.91696	1	6.4864	0.11556	0.55404	2	6.4864	0.1466	0.68378	0	NA	NA	NA
(alpha-D-Glucosyl)-(alpha-D-mannosyl)8-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine (protein)[r]	5	2.6884	0.45929	0.96631	-2.6884	0.57005	1	7.0986	0.24729	0.76266	3	6.29	0.24923	0.86808	2	3.5202	0.37883	0.91745
glucosyl-(alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform B (protein)[r];mannose[r];glucosyl-(alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform C (protein)[r];glucosyl-(alpha-D-mannosyl)6-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine (protein)[r];(alpha-D-mannosyl)8-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine (protein)[r];(alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform B (protein)[r];(alpha-D-mannosyl)8-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine (protein)[g];(alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform A (protein)[g];(alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform C (protein)[g];(alpha-D-mannosyl)6-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine (protein) (A)[g];(alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform B (protein)[g];(alpha-D-mannosyl)6-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine (protein) (B1)[g];(alpha-D-mannosyl)6-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine (protein) (B2)[g];(alpha-D-mannosyl)6-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine (protein) (C)[g];(alpha-D-mannosyl)5-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine (protein) (C)[g];(alpha-D-mannosyl)5-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine (protein) (B1)[g];(alpha-D-mannosyl)5-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine (protein) (B2)[g]	4	0.6716	0.6622	0.99999	-0.6716	0.3845	1	5.6746	0.36233	0.85452	2	4.5048	0.38452	0.98993	2	3.5202	0.37883	0.91745
mannose[g]	6	1.6953	0.60612	0.99999	-1.6953	0.44072	1	6.8493	0.35182	0.85452	3	6.1205	0.2706	0.9052	3	3.566	0.458	0.95905
(alpha-D-mannosyl)4-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine (protein)[g]	5	-0.7078	0.8131	0.99999	0.7078	0.24295	0.90115	6.2844	0.35434	0.85452	2	4.5048	0.38452	0.98993	3	4.4349	0.32996	0.89608
nm4masn[g]	3	-0.067297	0.71265	0.99999	0.067297	0.33171	0.97846	4.6946	0.41685	0.8823	1	4.2302	0.26255	0.88741	2	2.7586	0.4923	0.96722
nm2masn[g]	3	4.0312	0.25944	0.79311	-4.0312	0.73808	1	5.4505	0.30924	0.82908	2	5.8283	0.21198	0.81709	1	1.1981	0.6072	0.9673
n2m2masn[g]	5	2.4508	0.4869	0.98329	-2.4508	0.54593	1	9.4576	0.057119	0.40484	3	7.7137	0.10926	0.59205	2	5.5066	0.14392	0.65625
G00020[g];n3m2masn[g]	3	2.7404	0.39543	0.91149	-2.7404	0.61776	1	3.3971	0.612	0.97734	2	3.7772	0.49382	0.99076	1	0.54213	0.69941	0.9673
GDP-L-fucose[g]	8	13.368	0.0012136	0.035618	-13.281	0.9973	1	14.066	0.0022042	0.084381	7	14.404	0.002069	0.064982	1	1.676	0.53562	0.9673
fn2m2masn[g]	5	12.567	0.0014109	0.038568	-12.559	0.99668	1	12.228	0.0042428	0.11803	5	12.228	0.0063319	0.13295	0	NA	NA	NA
GDP[g]	10	14.536	0.00049578	0.017818	-14.459	0.99878	1	15.054	0.0018639	0.080058	9	15.309	0.0019732	0.063141	1	1.676	0.53562	0.9673
l2fn2m2masn[g]	8	8.0243	0.069899	0.41868	-8.018	0.92214	1	8.3724	0.25367	0.77413	6	9.4222	0.12288	0.61657	2	0.42506	0.80699	0.9673
PA6[g]	2	1.2471	0.52741	0.99999	-1.2471	0.49956	1	1.4001	0.77028	0.97978	1	2.0976	0.5787	0.99076	1	-0.1176	0.78077	0.9673
(alpha-D-mannosyl)2-beta-D-mannosyl-N-acetylglucosamine[l]	6	-2.6733	0.9385	0.99999	2.6733	0.10014	0.67823	0.82941	0.97113	0.98796	1	-1.7498	0.95575	0.99076	5	1.6911	0.83294	0.96952
beta-1,4-mannose-N-acetylglucosamine[l];mannose[l]	4	-2.6196	0.9146	0.99999	2.6196	0.12827	0.74481	1.516	0.89	0.98725	0	NA	NA	NA	4	1.516	0.81189	0.9673
de-Fuc form of PA6[l];keratan sulfate I, degradation product 1[l]	3	4.6544	0.2037	0.69653	-4.6544	0.7883	1	4.2178	0.48873	0.9355	3	4.2178	0.55122	0.99076	0	NA	NA	NA
de-Fuc form of PA6 (wo peptide linkage)[l];n2m2nm[l];keratan sulfate I, degradation product 2[l]	2	2.8817	0.34049	0.85825	-2.8817	0.66103	1	2.1525	0.6748	0.97978	2	2.1525	0.72761	0.99076	0	NA	NA	NA
de-Fuc, GlcNAc removed PA6 (wo peptide linkage)[l]	5	4.0117	0.31257	0.84899	-4.0117	0.69735	1	3.0244	0.80651	0.98288	5	3.0244	0.86432	0.99076	0	NA	NA	NA
l2n2m2mn[l]	5	4.1642	0.29698	0.8365	-4.1642	0.7109	1	3.2813	0.7786	0.97978	5	3.2813	0.84126	0.99076	0	NA	NA	NA
N-acetylneuraminate[l]	7	6.362	0.14823	0.60146	-6.1453	0.83366	1	6.3721	0.48427	0.93203	6	6.5491	0.48117	0.99076	1	0.81719	0.66188	0.9673
n2m2mn[l];chondroitin sulfate C (GalNAc6S-GlcA), free chain[l];chondroitin sulfate C (GalNAc6S-GlcA), degradation product 1[l];chondroitin sulfate C (GalNAc6S-GlcA), degradation product 4[l];chondroitin sulfate D (GlcNAc6S-GlcA2S), free chain[l];chondroitin sulfate D (GlcNAc6S-GlcA2S), degradation product 1[l];chondroitin sulfate D (GlcNAc6S-GlcA2S), degradation product 5[l];chondroitin sulfate E (GalNAc4,6diS-GlcA), degradation product 2[l];keratan sulfate I, degradation product 8[l];keratan sulfate I, degradation product 11[l];keratan sulfate I, degradation product 14[l];keratan sulfate I, degradation product 17[l];keratan sulfate I, degradation product 20[l];keratan sulfate I, degradation product 23[l];keratan sulfate I, degradation product 26[l];keratan sulfate I, degradation product 29[l];keratan sulfate I, degradation product 32[l];keratan sulfate I, degradation product 35[l];keratan sulfate I, degradation product 38[l];keratan sulfate I, degradation product 39[l];keratan sulfate I, degradation product 40[l];keratan sulfate I, degradation product 41[l];keratan sulfate II (core 2-linked), degradation product 5[l];keratan sulfate II (core 2-linked), degradation product 8[l];keratan sulfate II (core 2-linked), degradation product 9[l];F1alpha[l]	6	1.5698	0.62011	0.99999	-1.5698	0.42793	1	1.5402	0.94831	0.98796	4	1.4478	0.93329	0.99076	2	0.62011	0.78604	0.9673
PA6[s];6-deoxy-L-galactose[s];de-Fuc form of PA6[s];PA6[l];6-deoxy-L-galactose[l];keratan sulfate I[s];keratan sulfate I, degradation product 1[s];keratan sulfate I[l]	2	3.1328	0.3139	0.84899	-3.1328	0.68411	1	2.7274	0.5926	0.9749	2	2.7274	0.65018	0.99076	0	NA	NA	NA
n2m2nmn[l]	4	-0.8108	0.80147	0.99999	0.8108	0.25065	0.90708	-0.63857	0.97955	0.98796	2	-1.5232	0.97782	0.99076	2	0.62011	0.78604	0.9673
apoA1[c]	3	0.41176	0.66281	0.99999	-0.41176	0.37835	1	-0.73926	0.96862	0.98796	2	-0.72064	0.9558	0.99076	1	-0.26131	0.79665	0.9673
[protein]-L-tyrosine[c]	192	8.3192	0.96633	0.99999	-4.0405	0.015171	0.25225	33.916	0.33469	0.84884	113	26.447	0.71042	0.99076	79	21.244	0.051776	0.49552
[protein]-tyrosine-phosphate[c]	190	8.3442	0.96434	0.99999	-4.043	0.015184	0.25225	33.809	0.31996	0.83848	112	26.365	0.70702	0.99076	78	21.174	0.051687	0.49552
[protein]-tyrosine-O-sulfate[c]	2	0.18192	0.64858	0.99999	-0.18192	0.39264	1	2.7824	0.58446	0.97335	1	2.1098	0.57683	0.99076	1	1.825	0.51295	0.9673
[protein]-L-arginine[c]	8	-3.6392	0.97252	0.99999	3.6392	0.054912	0.50575	9.5318	0.13398	0.58723	3	5.1034	0.41465	0.99076	5	8.1038	0.069226	0.57393
[protein]-L-citrulline[c]	3	1.2091	0.57358	0.99999	-1.2091	0.45972	1	7.5538	0.096869	0.51734	2	5.2419	0.28251	0.91049	1	5.6704	0.075362	0.57891
[protein]-omega-N-(ADP-D-ribosyl)-L-arginine[c];N(omega)-(ADP-D-ribosyl)-L-arginine[c]	5	-5.5399	0.98928	0.99999	5.5399	0.026226	0.34466	6.2058	0.36551	0.85452	1	1.4263	0.67765	0.99076	4	6.2251	0.17986	0.70146
albumin[l];ATP[l];ADP[l];antichymotrypsin[l];antitrypsin[l];apoB100[l];fibrinogen[l];haptoglobin[l];plasminogen[l];prothrombin[l];[apotransferin][l];apoE[l];apoA1[l];STAR[l];apocytochrome-C[l];PPARA[l];apoB48[l]	17	-0.00034655	0.89667	0.99999	0.00034655	0.17047	0.81577	7.3236	0.8229	0.9838	7	6.0206	0.63869	0.99076	10	4.5116	0.72424	0.9673
alanine[l];arginine[l];asparagine[l];aspartate[l];cysteine[l];glutamine[l];glycine[l];histidine[l];isoleucine[l];leucine[l];lysine[l];methionine[l];phenylalanine[l];proline[l];serine[l];threonine[l];tryptophan[l];valine[l]	18	0.78116	0.85582	0.99999	-0.78116	0.22145	0.8664	7.8519	0.79499	0.97978	8	6.7337	0.61102	0.99076	10	4.5116	0.72424	0.9673
glutamate[l]	19	1.7294	0.79912	0.99999	-1.7294	0.28286	0.92588	8.5751	0.74498	0.97978	9	7.7037	0.52275	0.99076	10	4.5116	0.72424	0.9673
tyrosine[l]	19	0.70595	0.87212	0.99999	-0.70595	0.2014	0.83405	7.4388	0.86175	0.98725	8	6.7337	0.61102	0.99076	11	4.034	0.81078	0.9673
GM2A[l]	21	-0.56383	0.94252	0.99999	0.56383	0.1104	0.70441	6.3405	0.9544	0.98796	8	5.0131	0.82909	0.99076	13	4.1261	0.85472	0.96952
carbonate[s];carbonate[c]	11	-0.066626	0.84521	0.99999	4.0054	0.037884	0.40929	10.995	0.11736	0.55406	6	7.2236	0.3788	0.98993	5	8.3953	0.0556	0.50824
3-sulfinoalanine[c]	6	4.7321	0.26901	0.7984	-4.7481	0.73945	1	11.577	0.015026	0.22713	4	9.9527	0.035194	0.30146	2	5.9767	0.10723	0.62665
itaconate[m];itaconyl-CoA[m];mesaconyl-CoA[m];mesaconate[m]	3	0.57486	0.64511	0.99999	-0.57486	0.39468	1	-1.2157	0.97945	0.98796	1	0.7625	0.76447	0.99076	2	-2.0281	0.96395	0.98678
isocitrate[c]	6	8.6152	0.040279	0.33617	-8.6155	0.94986	1	7.8885	0.21957	0.7214	6	7.8885	0.28559	0.91049	0	NA	NA	NA
isocitrate[m]	8	8.0336	0.069537	0.41794	-8.0338	0.92274	1	6.959	0.45194	0.91186	8	6.959	0.57709	0.99076	0	NA	NA	NA
oxalosuccinate[c];oxalosuccinate[m];oxalosuccinate[p]	2	8.2609	0.023278	0.2493	-8.2613	0.96292	1	8.0803	0.035571	0.33405	2	8.0803	0.048411	0.37257	0	NA	NA	NA
AKG[p]	4	8.0638	0.042917	0.3451	-8.0641	0.94467	1	7.3413	0.16231	0.63401	3	9.1641	0.036377	0.30542	1	-1.19	0.88192	0.97155
citrate[m]	5	4.7077	0.24454	0.76608	-4.7077	0.75671	1	3.9302	0.69877	0.97978	5	3.9302	0.77226	0.99076	0	NA	NA	NA
citrate[c]	7	5.1994	0.24063	0.75751	-5.1994	0.76559	1	3.6162	0.84394	0.9838	7	3.6162	0.89958	0.99076	0	NA	NA	NA
thiamin-PP[m];3-carboxy-1-hydroxypropyl-ThPP[m]	3	7.3698	0.051801	0.37768	-7.3698	0.93463	1	8.6946	0.041429	0.34962	2	9.9114	0.0091271	0.1701	1	1.0427	0.62984	0.9673
fumarate[m]	6	6.3466	0.13867	0.576	-6.3466	0.85445	1	7.1167	0.31506	0.83305	4	8.3296	0.11946	0.61024	2	0.54653	0.7941	0.9673
cis-aconitate[m]	3	3.1758	0.34704	0.86441	-3.1758	0.6604	1	2.5352	0.73006	0.97978	3	2.5352	0.78317	0.99076	0	NA	NA	NA
NADPH[p];NADP+[p]	35	2.8611	0.8379	0.99999	-2.8612	0.25872	0.90708	13.396	0.5945	0.9749	19	11.09	0.54667	0.99076	16	7.7277	0.49067	0.96722
isocitrate[p]	3	9.3962	0.013074	0.16213	-9.3966	0.9794	1	9.1641	0.027857	0.30818	3	9.1641	0.036377	0.30542	0	NA	NA	NA
glycolaldehyde[c]	10	7.8757	0.090598	0.47828	-7.8757	0.90463	1	8.9176	0.2879	0.80348	8	9.1864	0.25108	0.86808	2	1.5674	0.6675	0.9673
oxalate[c]	8	4.9663	0.27886	0.80902	-4.9663	0.73546	1	5.4651	0.67449	0.97978	6	6.0011	0.56559	0.99076	2	0.53592	0.79524	0.9673
PPi[r]	14	3.3729	0.56759	0.99999	-3.3729	0.4976	1	8.7023	0.5266	0.95019	10	6.6952	0.7309	0.99076	4	5.6945	0.23792	0.81031
PPi[p]	15	3.9161	0.51792	0.99999	-3.9161	0.54313	1	8.9998	0.52237	0.95019	11	7.0756	0.73971	0.99076	4	5.6945	0.23792	0.81031
Pi[p]	4	5.6461	0.15408	0.61666	-5.6461	0.83581	1	5.0607	0.45256	0.91186	4	5.0607	0.53768	0.99076	0	NA	NA	NA
H+[s]	59	7.5478	0.56697	0.99999	-4.1462	0.23289	0.88301	24.597	0.0068495	0.15268	38	19.451	0.10748	0.58614	21	15.062	0.0083417	0.23791
H2O2[n]	2	-2.721	0.89135	0.99999	2.721	0.1558	0.78847	7.5588	0.054146	0.39401	1	3.374	0.38185	0.98993	1	7.3157	0.019429	0.31942
O2[n]	8	-3.4646	0.96914	0.99999	3.4646	0.060121	0.52412	6.7597	0.48234	0.93172	3	2.7519	0.75763	0.99076	5	6.4188	0.20088	0.75187
butyryl-CoA[c]	24	8.249	0.18694	0.67416	-8.2516	0.83459	1	13.448	0.24267	0.75796	18	12.069	0.35773	0.98014	6	5.9908	0.30977	0.87199
butyrate[c]	19	-2.5548	0.9815	0.99999	8.5711	0.00065427	0.028484	20.438	6.5437e-05	0.011524	8	12.204	0.03263	0.28974	11	16.454	6.8159e-05	0.013885
pentanoyl-CoA[c];hexanoyl-CoA[c];heptanoyl-CoA[c];nonanoyl-CoA[c];decanoyl-CoA[c];undecanoyl-CoA[c]	3	-1.5488	0.84066	0.99999	1.5488	0.20528	0.83643	2.315	0.75708	0.97978	1	0.75116	0.76583	0.99076	2	2.3041	0.56091	0.9673
valeric acid[c];hexanoic acid[c];heptylic acid[c];octanoic acid[c];nonanoic acid[c];decanoic acid[c];undecylic acid[c]	13	-7.6296	0.99952	0.99999	14.903	1.5735e-06	0.00039586	17.889	0.00019321	0.018127	3	8.3487	0.069789	0.46359	10	15.824	8.1844e-05	0.014589
octanoyl-CoA[c]	6	0.197	0.75986	0.99999	-0.197	0.29554	0.93502	3.8726	0.77217	0.97978	3	2.8531	0.74516	0.99076	3	2.6236	0.60155	0.9673
lauroyl-CoA[c];tridecanoyl-CoA[c];pentadecanoyl-CoA[c];(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA[c];(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA[c]	20	2.693	0.72709	0.99999	-2.693	0.36031	1	8.9668	0.73436	0.97978	12	7.3507	0.75187	0.99076	8	5.1751	0.53857	0.9673
lauric acid[c]	38	-4.3664	0.99924	0.99999	10.74	1.2214e-05	0.0019554	21.301	0.0053234	0.13992	16	12.002	0.27767	0.91049	22	17.76	0.00033614	0.044463
tridecylic acid[c];pentadecylic acid[c];margaric acid[c]	26	-5.4967	0.99929	0.99999	10.64	4.073e-05	0.0039847	18.422	0.0082764	0.1756	9	9.8024	0.2254	0.82745	17	15.651	0.0016743	0.091828
myristoyl-CoA[c]	24	0.92663	0.89315	0.99999	-0.92663	0.18134	0.81747	10.559	0.65784	0.97978	13	7.7153	0.7506	0.99076	11	7.2086	0.37471	0.91745
myristic acid[c]	26	-5.4967	0.99929	0.99999	10.64	4.073e-05	0.0039847	18.422	0.0082764	0.1756	9	9.8024	0.2254	0.82745	17	15.651	0.0016743	0.091828
(9E)-tetradecenoic acid[c];(7Z)-tetradecenoic acid[c];physeteric acid[c];palmitolate[c];7-palmitoleic acid[c];(10Z)-heptadecenoic acid[c];9-heptadecylenic acid[c];stearate[c];(13Z)-octadecenoic acid[c];cis-vaccenic acid[c];oleate[c];elaidate[c];(7Z)-octadecenoic acid[c];(6Z,9Z)-octadecadienoic acid[c];nonadecylic acid[c];eicosanoate[c];(13Z)-eicosenoic acid[c];cis-gondoic acid[c];9-eicosenoic acid[c];8,11-eicosadienoic acid[c];mead acid[c];henicosanoic acid[c];behenic acid[c];cis-erucic acid[c];cis-cetoleic acid[c];tricosanoic acid[c];lignocerate[c];nervonic acid[c];cerotic acid[c];ximenic acid[c];linolenate[c];stearidonic acid[c];omega-3-arachidonic acid[c];DPA[c];(9Z,12Z,15Z,18Z,21Z)-TPA[c];(6Z,9Z,12Z,15Z,18Z,21Z)-THA[c];DHA[c];(11Z,14Z,17Z)-eicosatrienoic acid[c];13,16,19-docosatrienoic acid[c];10,13,16,19-docosatetraenoic acid[c];12,15,18,21-tetracosatetraenoic acid[c];gamma-linolenate[c];adrenic acid[c];(9Z,12Z,15Z,18Z)-TTA[c];(6Z,9Z,12Z,15Z,18Z)-TPA[c];(4Z,7Z,10Z,13Z,16Z)-DPA[c];(11Z,14Z)-eicosadienoic acid[c];(13Z,16Z)-docosadienoic acid[c];10,13,16-docosatriynoic acid[c]	24	-5.0501	0.99858	0.99999	10.403	6.6105e-05	0.0055433	18.658	0.0035802	0.11251	9	9.8024	0.2254	0.82745	15	16.008	0.00053341	0.05071
(9E)-tetradecenoyl-CoA[c];(7Z)-tetradecenoyl-CoA[c];5-tetradecenoyl-CoA[c];palmitoleoyl-CoA[c];7-hexadecenoyl-CoA[c];(10Z)-heptadecenoyl-CoA[c];9-heptadecenoyl-CoA[c];(13Z)-octadecenoyl-CoA[c];(9E)-octadecenoyl-CoA[c]	22	0.62098	0.89627	0.99999	-0.62098	0.17612	0.81747	10.432	0.60297	0.97734	12	7.3507	0.75187	0.99076	10	7.421	0.29906	0.85462
palmitoyl-CoA[c]	47	12.846	0.051542	0.37768	-12.653	0.95185	1	20.968	0.035	0.33405	33	19.795	0.03345	0.29395	14	8.0272	0.37193	0.91745
palmitate[c]	28	-5.978	0.99968	0.99999	10.934	2.0836e-05	0.0028225	18.306	0.013533	0.22554	9	9.8024	0.2254	0.82745	19	15.476	0.0033233	0.13902
heptadecanoyl-CoA[c];cis-vaccenoyl-CoA[c]	29	3.686	0.72067	0.99999	-3.686	0.37827	1	12.167	0.59467	0.9749	18	9.6903	0.71097	0.99076	11	7.3596	0.35328	0.91
stearoyl-CoA[c]	31	4.4659	0.66551	0.99999	-4.4659	0.43517	1	12.513	0.59587	0.9749	20	10.121	0.73555	0.99076	11	7.3596	0.35328	0.91
oleoyl-CoA[c]	33	3.5191	0.76835	0.99999	-3.5191	0.33917	0.98975	13.292	0.54925	0.9571	21	10.069	0.77844	0.99076	12	8.723	0.21353	0.78632
(6Z,9Z)-octadecadienoyl-CoA[c];linolenoyl-CoA[c];(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA[c];(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-CoA[c];gamma-linolenoyl-CoA[c]	30	4.5536	0.64328	0.99999	-4.5536	0.45467	1	11.553	0.70284	0.97978	20	9.3667	0.8219	0.99076	10	6.7633	0.3923	0.92837
nonadecanoyl-CoA[c];eicosanoyl-CoA[c];(11Z)-eicosenoyl-CoA[c];9-eicosenoyl-CoA[c];heneicosanoyl-CoA[c];docosanoyl-CoA[c];(13Z)-docosenoyl-CoA[c];(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA[c];(11Z,14Z,17Z)-eicosatrienoyl-CoA[c];10,13,16,19-docosatetraenoyl-CoA[c];(11Z,14Z)-eicosadienoyl-CoA[c]	28	5.5922	0.50229	0.9894	-5.5922	0.57874	1	10.694	0.75694	0.97978	19	9.408	0.781	0.99076	9	5.193	0.5898	0.9673
(13Z)-eicosenoyl-CoA[c]	32	12.653	0.025846	0.26773	-12.419	0.96981	1	17.147	0.077639	0.46114	23	17.35	0.03301	0.29159	9	4.5974	0.67524	0.9673
(8Z,11Z)-eicosadienoyl-CoA[c]	24	1.7585	0.84163	0.99999	-1.7585	0.24307	0.90115	9.5085	0.79045	0.97978	15	6.7483	0.90981	0.99076	9	6.8153	0.34739	0.90068
(5Z,8Z,11Z)-eicosatrienoyl-CoA[c]	23	1.669	0.83852	0.99999	-1.669	0.24828	0.90708	9.7347	0.73094	0.97978	14	7.013	0.86079	0.99076	9	6.8153	0.34739	0.90068
(11Z)-docosenoyl-CoA[c];13,16,19-docosatrienoyl-CoA[c];(13Z,16Z)-docosadienoyl-CoA[c];10,13,16-docosatrienoyl-CoA[c]	21	2.7613	0.72636	0.99999	-2.7613	0.35919	1	8.728	0.78637	0.97978	13	7.0334	0.82667	0.99076	8	5.1751	0.53857	0.9673
tricosanoyl-CoA[c]	22	3.3765	0.67755	0.99999	-3.3765	0.411	1	9.162	0.77105	0.97978	14	7.5732	0.80704	0.99076	8	5.1751	0.53857	0.9673
tetracosanoyl-CoA[c];(15Z)-tetracosenoyl-CoA[c]	29	6.086	0.45349	0.95818	-6.086	0.62116	1	11.061	0.7458	0.97978	20	9.8354	0.7705	0.99076	9	5.193	0.5898	0.9673
hexacosanoyl-CoA[c];hexacosenoyl-CoA[c];12,15,18,21-tetracosatetraenoyl-CoA[c];(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA[c]	22	3.3765	0.67755	0.99999	-3.3765	0.411	1	9.162	0.77105	0.97978	14	7.5732	0.80704	0.99076	8	5.1751	0.53857	0.9673
(8Z,11Z,14Z,17Z)-eicosatetraenoyl-CoA[c];dihomo-gamma-linolenoyl-CoA[c]	31	4.5892	0.65231	0.99999	-4.5892	0.44772	1	11.346	0.75436	0.97978	21	9.1182	0.87168	0.99076	10	6.7633	0.3923	0.92837
EPA[c]	28	-5.8712	0.99965	0.99999	10.827	2.3481e-05	0.0029536	19.077	0.0061196	0.14763	11	9.2864	0.41645	0.99076	17	17.013	0.00027909	0.04422
(9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA[c]	25	2.3596	0.7986	0.99999	-2.3596	0.29264	0.93502	9.9117	0.77317	0.97978	16	7.2782	0.89234	0.99076	9	6.8153	0.34739	0.90068
(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA[c]	24	2.2837	0.80184	0.99999	-2.2837	0.28724	0.93498	10.137	0.71484	0.97978	15	7.5438	0.84914	0.99076	9	6.8153	0.34739	0.90068
linoleoyl-CoA[c];arachidonyl-CoA[c]	41	13.098	0.035476	0.31016	-12.891	0.96302	1	18.784	0.08198	0.47329	30	18.209	0.072701	0.46882	11	6.1938	0.52562	0.9673
linoleate[c]	49	-3.0641	0.99896	0.99999	6.8104	0.00029832	0.016417	20.541	0.062831	0.43221	22	12.209	0.51593	0.99076	27	16.651	0.004993	0.1861
dihomo-gamma-linolenate[c]	28	-5.6369	0.99955	0.99999	10.593	3.0446e-05	0.0035744	18.278	0.013905	0.22554	10	9.4034	0.33794	0.96328	18	15.788	0.0015057	0.091828
arachidonate[c]	56	-4.2911	0.99981	0.99999	7.7955	7.8289e-05	0.0059942	22.009	0.051882	0.38319	25	12.416	0.6159	0.99076	31	18.431	0.0013747	0.091828
(7Z,10Z,13Z,16Z)-docosatetraenoyl-CoA[c]	27	5.5773	0.48634	0.98329	-5.5773	0.58999	1	10.91	0.69892	0.97978	18	9.6903	0.71097	0.99076	9	5.193	0.5898	0.9673
(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA[c]	21	3.3228	0.66905	0.99999	-3.3228	0.41498	1	9.4004	0.706	0.97978	13	7.888	0.72886	0.99076	8	5.1751	0.53857	0.9673
AMP[r]	10	0.41998	0.80297	0.99999	-0.41998	0.2601	0.90708	7.0961	0.55383	0.9571	6	4.5114	0.7711	0.99076	4	5.6945	0.23792	0.81031
lauroyl-CoA[r];tridecanoyl-CoA[r];myristoyl-CoA[r];5-tetradecenoyl-CoA[r];(9E)-tetradecenoyl-CoA[r];(7Z)-tetradecenoyl-CoA[r];pentadecanoyl-CoA[r];7-hexadecenoyl-CoA[r];palmitoleoyl-CoA[r];heptadecanoyl-CoA[r];(10Z)-heptadecenoyl-CoA[r];9-heptadecenoyl-CoA[r];oleoyl-CoA[r];(9E)-octadecenoyl-CoA[r];(13Z)-octadecenoyl-CoA[r];cis-vaccenoyl-CoA[r];(6Z,9Z)-octadecadienoyl-CoA[r];nonadecanoyl-CoA[r];eicosanoyl-CoA[r];(11Z)-eicosenoyl-CoA[r];(13Z)-eicosenoyl-CoA[r];9-eicosenoyl-CoA[r];(8Z,11Z)-eicosadienoyl-CoA[r];(5Z,8Z,11Z)-eicosatrienoyl-CoA[r];heneicosanoyl-CoA[r];docosanoyl-CoA[r];(13Z)-docosenoyl-CoA[r];(11Z)-docosenoyl-CoA[r];tricosanoyl-CoA[r];tetracosanoyl-CoA[r];(15Z)-tetracosenoyl-CoA[r];hexacosanoyl-CoA[r];hexacosenoyl-CoA[r];linolenoyl-CoA[r];(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA[r];(8Z,11Z,14Z,17Z)-eicosatetraenoyl-CoA[r];(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-CoA[r];(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA[r];(9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA[r];(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA[r];(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA[r];(11Z,14Z,17Z)-eicosatrienoyl-CoA[r];13,16,19-docosatrienoyl-CoA[r];linoleoyl-CoA[r];gamma-linolenoyl-CoA[r];dihomo-gamma-linolenoyl-CoA[r];arachidonyl-CoA[r];(7Z,10Z,13Z,16Z)-docosatetraenoyl-CoA[r];(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA[r];(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA[r];(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA[r];(11Z,14Z)-eicosadienoyl-CoA[r];(13Z,16Z)-docosadienoyl-CoA[r]	9	3.1968	0.49293	0.98577	-3.1968	0.55224	1	8.7201	0.26518	0.77831	6	7.1789	0.38541	0.99038	3	4.9511	0.26148	0.82667
ATP[r]	20	3.5405	0.64006	0.99999	-3.5405	0.44359	1	9.7311	0.62996	0.97734	13	7.5123	0.77493	0.99076	7	6.211	0.33312	0.89967
CoA[r]	13	3.0262	0.5807	0.99999	-3.0262	0.48356	1	8.7096	0.47308	0.92489	9	6.6713	0.67582	0.99076	4	5.6945	0.23792	0.81031
lauric acid[r];tridecylic acid[r];myristic acid[r];physeteric acid[r];(9E)-tetradecenoic acid[r];(7Z)-tetradecenoic acid[r];pentadecylic acid[r];7-palmitoleic acid[r];palmitolate[r];margaric acid[r];(10Z)-heptadecenoic acid[r];9-heptadecylenic acid[r];oleate[r];elaidate[r];(13Z)-octadecenoic acid[r];cis-vaccenic acid[r];(6Z,9Z)-octadecadienoic acid[r];nonadecylic acid[r];eicosanoate[r];cis-gondoic acid[r];(13Z)-eicosenoic acid[r];9-eicosenoic acid[r];8,11-eicosadienoic acid[r];mead acid[r];henicosanoic acid[r];behenic acid[r];cis-erucic acid[r];cis-cetoleic acid[r];tricosanoic acid[r];lignocerate[r];nervonic acid[r];cerotic acid[r];ximenic acid[r];linolenate[r];stearidonic acid[r];omega-3-arachidonic acid[r];DPA[r];(9Z,12Z,15Z,18Z,21Z)-TPA[r];(6Z,9Z,12Z,15Z,18Z,21Z)-THA[r];DHA[r];(11Z,14Z,17Z)-eicosatrienoic acid[r];13,16,19-docosatrienoic acid[r];gamma-linolenate[r];adrenic acid[r];(9Z,12Z,15Z,18Z)-TTA[r];(6Z,9Z,12Z,15Z,18Z)-TPA[r];(4Z,7Z,10Z,13Z,16Z)-DPA[r];(11Z,14Z)-eicosadienoic acid[r];(13Z,16Z)-docosadienoic acid[r]	9	1.0895	0.72487	0.99999	-1.0895	0.33966	0.98975	8.5839	0.28252	0.79884	5	6.4516	0.40593	0.99076	4	5.6628	0.2417	0.81031
palmitoyl-CoA[r]	10	4.1315	0.4061	0.91859	-4.1315	0.62869	1	9.311	0.23897	0.75417	7	7.8875	0.35845	0.98052	3	4.9511	0.26148	0.82667
palmitate[r]	11	3.3256	0.51154	0.99758	-3.1412	0.52318	1	10.568	0.15219	0.61328	6	9.4588	0.12002	0.61126	5	5.3133	0.33849	0.90068
stearoyl-CoA[r]	11	2.1375	0.64605	0.99999	-2.1375	0.42096	1	8.6615	0.37928	0.8596	7	6.5531	0.55973	0.99076	4	5.6945	0.23792	0.81031
stearate[r]	11	0.23134	0.82365	0.99999	-0.23134	0.24554	0.9048	8.5384	0.39709	0.87507	6	5.7888	0.59771	0.99076	5	6.3232	0.21128	0.78256
EPA[r];dihomo-gamma-linolenate[r]	11	0.8706	0.77136	0.99999	-0.8706	0.29995	0.93578	8.1152	0.45973	0.91998	6	6.0238	0.56212	0.99076	5	5.438	0.32127	0.88786
linoleate[r]	32	1.9917	0.86782	0.99999	-1.9917	0.22002	0.86553	13.079	0.5525	0.9571	18	9.9669	0.67335	0.99076	14	8.4716	0.31003	0.87199
arachidonate[r]	37	0.63352	0.95236	0.99999	-0.63352	0.10778	0.70084	13.374	0.64916	0.97978	19	9.7765	0.73607	0.99076	18	9.1299	0.34453	0.90068
acetyl-[ACP][c];acetoacetyl-[ACP][c];3-oxohexanoyl-[ACP][c];hexanoyl-[ACP][c];3-oxooctanoyl-[ACP][c];3-oxodecanoyl-[ACP][c];decanoyl-[ACP][c];3-oxododecanoyl-[ACP][c];3-oxotetradecanoyl-[ACP][c];3-oxohexadecanoyl-[ACP][c]	2	0.10873	0.65652	0.99999	-0.10873	0.38549	1	1.2398	0.78838	0.97978	1	0.97251	0.73846	0.99076	1	0.78087	0.66694	0.9673
malonyl-[ACP][c]	3	1.0908	0.58718	0.99999	-1.0908	0.44745	1	1.8134	0.81275	0.98376	2	1.6688	0.78538	0.99076	1	0.78087	0.66694	0.9673
[ACP][c]	6	2.0374	0.5673	0.99999	-2.0374	0.47587	1	3.8428	0.77556	0.97978	4	3.4403	0.76586	0.99076	2	1.7906	0.63618	0.9673
but-2-enoyl-[ACP][c]	3	-0.52309	0.75656	0.99999	0.52309	0.28962	0.93502	2.5489	0.72834	0.97978	1	2.0001	0.59356	0.99076	2	1.7075	0.64797	0.9673
butyryl-[ACP][c]	4	0.24056	0.70645	0.99999	-0.24056	0.34317	0.99724	2.6937	0.78214	0.97978	2	2.1019	0.73399	0.99076	2	1.7075	0.64797	0.9673
octanoyl-[ACP][c]	4	0.90621	0.63709	0.99999	-0.90621	0.4076	1	1.0639	0.91897	0.98796	3	0.77764	0.92872	0.99076	1	0.78087	0.66694	0.9673
dodecanoyl-[ACP][c];tetradecanoyl-[ACP][c]	3	-1.0973	0.80629	0.99999	1.0973	0.24048	0.90054	2.0235	0.79046	0.97978	1	0.97251	0.73846	0.99076	2	1.7906	0.63618	0.9673
hexadecanoyl-[ACP][c];tridecanoyl-[ACP][c];pentadecanoyl-[ACP][c];heptadecanoyl-[ACP][c]	2	-2.3248	0.86809	0.99999	2.3248	0.18115	0.81747	1.7906	0.72275	0.97978	0	NA	NA	NA	2	1.7906	0.63618	0.9673
3-oxo-11-cis-eicosenoyl-CoA[c];3-oxo-13cis-docosenoyl-CoA[c];3-oxo-cis-15-tetracosaenoyl-CoA[c];3-oxo-hexacosenoyl-CoA[c];3-oxo-13-cis-eicosenoyl-CoA[c];3-oxo-9-cis-eicosenoyl-CoA[c];3-oxo-11cis-docosenoyl-CoA[c];3-oxo-eicosadienoyl-CoA[c];3-oxooctadecanoyl-CoA[c];3-oxoeicosanoyl-CoA[c];3-oxodocosanoyl-CoA[c];3-oxotetracosanoyl-CoA[c];3-oxohexacosanoyl-CoA[c];3-oxononadecanoyl-CoA[c];3-oxoheneicosanoyl-CoA[c];3-oxotricosanoyl-CoA[c];3-keto-eicosa-8,11,14,17-all-cis-tetraenoyl-CoA[c];3-oxo-docosa-7,10,13,16,19-all-cis-pentaenoyl-CoA[c];3-oxo-tetracosa-9,12,15,18,21-all-cis-pentaenoyl-CoA[c];3-oxo-docosa-10,13,16,19-all-cis-tetraenoyl-CoA[c];3-oxo-tetracosa-12,15,18,21-all-cis-tetraenoyl-CoA[c];3-oxoeicosa-cis,cis,cis-11,14,17-trienoyl-CoA[c];3-oxo-docosa-13,16,19-all-cis-trienoyl-CoA[c];3-oxo-docosa-7,10,13,16-all-cis-tetraenoyl-CoA[c];3-oxo-tetracosa-9,12,15,18-all-cis-tetraenoyl-CoA[c];3-oxo-docosa-cis,cis,cis-10,13,16-trienoyl-CoA[c];3-oxoeicosa-cis,cis-11,14-dienoyl-CoA[c];3-oxodocasa-cis,cis-13,16-dienoyl-CoA[c]	8	5.5058	0.22865	0.74842	-5.5058	0.77909	1	6.1995	0.56773	0.96426	6	6.3887	0.50596	0.99076	2	1.3335	0.69911	0.9673
3(S)-hydroxy-11-cis-eicosenoyl-CoA[c];3(S)-hydroxy-13-cis-docosenoyl-CoA[c];3(S)-hydroxy-cis-15-tetracosaenoyl-CoA[c];3(S)-hydroxy-hexacosenoyl-CoA[c];3(S)-hydroxy-13-cis-eicosenoyl-CoA[c];3(S)-hydroxy-9-cis-eicosenoyl-CoA[c];3(S)-hydroxy-11-cis-docosenoyl-CoA[c];3(S)-hydroxy-3-oxo-eicosadienoyl-CoA[c];3-hydroxyoctadecanoyl-CoA[c];3-hydroxyeicosanoyl-CoA[c];3-hydroxydocosanoyl-CoA[c];3-hydroxytetracosanoyl-CoA[c];3-hydroxyhexacosanoyl-CoA[c];3-hydroxynonadecanoyl-CoA[c];3-hydroxyheneicosanoyl-CoA[c];3-hydroxytricosanoyl-CoA[c];3(S)-hydroxy-all-cis-8,11,14,17-eicosatetraenoyl-CoA[c];3(S)-hydroxy-docosa-7,10,13,16,19-all-cis-pentaenoyl-CoA[c];3(S)-hydroxy-tetracosa-9,12,15,18,21-all-cis-pentaenoyl-CoA[c];3(S)-hydroxy-docosa-10,13,16,19-all-cis-tetraenoyl-CoA[c];3(S)-hydroxy-tetracosa-12,15,18,21-all-cis-tetraenoyl-CoA[c];(3S)-hydroxy-eicosa-cis,cis,cis-11,14,17-trienoyl-CoA[c];3(S)-hydroxy-docosa-13,16,19-all-cis-trienoyl-CoA[c];3(S)-hydroxy-docosa-7,10,13,16-all-cis-tetraenoyl-CoA[c];3(S)-hydroxy-10,13,16-all-cis-docosatrienoyl-CoA[c];(3S)-hydroxy-eicosa-cis,cis-11,14-dienoyl-CoA[c];(3S)-hydroxy-docasa-cis,cis-13,16-dienoyl-CoA[c]	5	-1.7086	0.88131	0.99999	1.7086	0.16999	0.81568	5.6594	0.44584	0.90661	3	2.3245	0.80644	0.99076	2	6.1014	0.098742	0.61875
trans,cis-2,11-eicosadienoyl-CoA[c];trans,cis-2,13-docosadienoyl-CoA[c];trans,cis-2,15-tetracosadienoyl-CoA[c];trans,cis-2,17-hexacosadienoyl-CoA[c];trans,cis-2,13-eicosadienoyl-CoA[c];trans,cis-2,9-eicosadienoyl-CoA[c];trans,cis-2,11-docosadienoyl-CoA[c];trans,cis-2,8,11-eicosatrienoyl-CoA[c];(2E)-octadecenoyl-CoA[c];(2E)-eicosenoyl-CoA[c];(2E)-docosenoyl-CoA[c];(2E)-tetracosenoyl-CoA[c];(2E)-hexacosenoyl-CoA[c];(2E)-nonadecenoyl-CoA[c];(2E)-heneicosenoyl-CoA[c];eicosa-(2E,8Z,11Z,14Z,17Z)-pentaenoyl-CoA[c];2-trans-7,10,13,16,19-all-cis-docosahexaenoyl-CoA[c];2-trans-9,12,15,18,21-all-cis-tetracosahexaenoyl-CoA[c];trans,cis,cis,cis,cis-2,10,13,16,19-docosapentaenoyl-CoA[c];trans,cis,cis,cis,cis-2,12,15,18,21-tetracosapentaenoyl-CoA[c];trans,cis,cis,cis-2,11,14,17-eicosatetraenoyl-CoA[c];trans,cis,cis,cis-2,13,16,19-docosatetraenoyl-CoA[c];2-trans-9,12,15,18-all-cis-tetracosapentaenoyl-CoA[c];trans,cis,cis,cis-2,10,13,16-docosatetraenoyl-CoA[c];trans,cis,cis-2,11,14-eicosatrienoyl-CoA[c];trans,cis,cis-2,13,16-docasatrienoyl-CoA[c]	5	-0.82552	0.82219	0.99999	0.82552	0.23358	0.88301	5.1905	0.51675	0.95019	4	1.961	0.90338	0.99076	1	7.6844	0.013672	0.28638
(7Z)-octadecenoyl-CoA[c]	22	3.4896	0.66569	0.99999	-3.4896	0.42229	1	9.6028	0.71746	0.97978	14	7.8061	0.7814	0.99076	8	5.5979	0.47392	0.9652
(2E)-tricosenoyl-CoA[c]	5	-0.82552	0.82219	0.99999	0.82552	0.23358	0.88301	5.1905	0.51675	0.95019	4	1.961	0.90338	0.99076	1	7.6844	0.013672	0.28638
palmitoyl-CoA[p]	25	10.926	0.048199	0.36298	-10.661	0.94473	1	15.63	0.079083	0.46114	17	16	0.021904	0.22492	8	4.3067	0.66642	0.9673
palmitate[p]	9	1.0149	0.73209	0.99999	-1.0149	0.33263	0.97875	5.4923	0.72819	0.97978	5	4.3839	0.71539	0.99076	4	3.3371	0.57474	0.9673
9(S)-HPODE[c];9-hydroxyoctadecadienoate[c];15(R)-HpEPE[c];15(R)-HpEPE[n];15(R)-HpEPE[r];EPA[p];15(R)-HpEPE[p];prostaglandin G2[r];12-hydroperoxyeicosatetraenoate-glyceryl-ester[c];prostaglandin G1[c];prostaglandin G1[r];prostaglandin H1[r]	2	-0.26943	0.69637	0.99999	0.26943	0.34923	1	0.82247	0.83142	0.9838	1	0.32907	0.81334	0.99076	1	0.83407	0.65952	0.9673
13(S)-HPODE[c]	9	1.4788	0.68571	0.99999	2.9055	0.074078	0.56718	9.5703	0.17037	0.63972	5	7.1392	0.30627	0.9323	4	6.3737	0.16536	0.68544
13(S)-HODE[c];5(S)-HPETE[m];15(S)-HETE[c];hepoxilin A3[s]	7	3.4557	0.42284	0.9312	1.5156	0.15619	0.78847	9.283	0.12534	0.5729	5	7.1392	0.30627	0.9323	2	6.0789	0.10023	0.61875
9(10)-EpOME[c];9(10)-EpOME[r];12(13)-EpOME[c];12(13)-EpOME[r];5,6-EET[c];8,9-EET[c]	25	1.2714	0.87578	0.99999	-1.2714	0.20428	0.83643	10.202	0.73882	0.97978	14	7.5587	0.80858	0.99076	11	6.8526	0.42669	0.95692
O2[r]	40	-2.3482	0.99546	0.99999	2.3482	0.019908	0.28736	15.194	0.47289	0.92489	18	9.7579	0.70197	0.99076	22	11.661	0.14658	0.65625
9,10-hydroxyoctadec-12(Z)-enoate[c];9,10-hydroxyoctadec-12(Z)-enoate[r];12,13-hydroxyoctadec-9(z)-enoate[c];12,13-hydroxyoctadec-9(z)-enoate[r]	11	6.3654	0.19609	0.68806	-6.3654	0.81205	1	8.3804	0.42025	0.8838	9	7.8445	0.50105	0.99076	2	3.0131	0.45383	0.95692
lipoic acid[c]	5	4.4841	0.26549	0.79783	-4.3866	0.73013	1	6.8945	0.27243	0.79035	3	7.464	0.12853	0.62516	2	1.7597	0.64058	0.9673
[protein]-N6-(lipoyl)lysine[c]	4	1.7357	0.54418	0.99999	-1.7357	0.49131	1	1.087	0.91765	0.98796	3	1.406	0.88914	0.99076	1	-0.26131	0.79665	0.9673
5-deoxyadenosine[c];lipoyl-[ACP][c];[protein]-N6-(octanoyl)lysine[c]	2	1.1728	0.53609	0.99999	-1.1728	0.49201	1	0.26475	0.87944	0.98725	2	0.26475	0.90778	0.99076	0	NA	NA	NA
(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA[p];(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA[p];hexacosanoyl-CoA[p];hexacosenoyl-CoA[p]	3	2.9616	0.37059	0.88906	-2.9616	0.63964	1	1.9186	0.80178	0.98237	3	1.9186	0.84677	0.99076	0	NA	NA	NA
delta2-THA-CoA[p];trans-2-all-cis-6,9,12,15,18-tetracosahexaenoyl-CoA[p];(2E,6Z,9Z,12Z)-octadecatetraenoyl-CoA[p];5-oxo-12(R)-hydroxy-eicosa-(2E,8E,10E,14Z)-tetraenoyl-CoA[p];5-oxo-12(S)-hydroxy-eicosa-(2E,8E,10E,14Z)-tetraenoyl-CoA[p];(18E)-20-oxo-20-CoA-LTB4[p];5(S),12(R)-dihydroxy-eicosa-2,8-trans-6,14-cis-tetraenoyl-CoA[p];(18E)-20-oxo-20-CoA-LTE4[p];(2E)-hexacosenoyl-CoA[p];(2E)-tetracosenoyl-CoA[p];(2E)-docosenoyl-CoA[p];(2E)-eicosenoyl-CoA[p];(2E)-octadecenoyl-CoA[p];(2E)-hexadecenoyl-CoA[p];(2E)-tetradecenoyl-CoA[p];(2E)-octenoyl-CoA[p];(2E)-hexenoyl-CoA[p];crotonyl-CoA[p];trans,cis-2,17-hexacosadienoyl-CoA[p];trans,cis-2,15-tetracosadienoyl-CoA[p];trans,cis-2,13-docosadienoyl-CoA[p];trans,cis-2,11-eicosadienoyl-CoA[p];trans,cis-octadeca-2,9-dienoyl-CoA[p];trans,cis-hexadeca-2,7-dienoyl-CoA[p];trans,cis-myristo-2,5-dienoyl-CoA[p];trans,cis-hexadeca-2,9-dienoyl-CoA[p];trans,cis-myristo-2,7-dienoyl-CoA[p];trans-2,3-dehydropristanoyl-CoA[p];(4R,8R,12R)-trimethyl-(2E)-tridecenoyl-CoA[p];(2S,6R,10R)-trimethyl-(2E)-hendecenoyl-CoA[p];trans,cis,cis-2,9,12-octadecatrienoyl-CoA[p];trans-2-cis,cis-5,8-tetradecatrienoyl-CoA[p];trans,cis-2,13-eicosadienoyl-CoA[p];trans,cis-octadeca-2,11-dienoyl-CoA[p]	3	2.3409	0.44133	0.94548	-2.3409	0.57733	1	1.2459	0.86529	0.98725	3	1.2459	0.90047	0.99076	0	NA	NA	NA
3-hydroxy-THA-CoA[p];3(S)-hydroxy-tetracosa-6,9,12,15,18-all-cis-pentaenoyl-CoA[p];3(S)-hydroxy-dihomo-gamma-linolenoyl-CoA[p];3(S)-hydroxy-(6Z,9Z,12Z)-octadecatrienoyl-CoA[p];3(S),12(R)-dihydroxy-5-oxo-eicosa-(8E,10E,14Z)-trienoyl-CoA[p];3(S),12(S)-dihydroxy-5-oxo-eicosa-(8E,10E,14Z)-trienoyl-CoA[p];20-CoA-20-oxo-18r-hydroxy-LTB4[p];3(S),5(S),12(R)-trihydroxy-eicosa-8-trans-6,14-cis-trienoyl-CoA[p];18(R)-hydroxy-20-oxo-20-CoA-LTE4[p];16(S)-hydroxy-18-oxo-18-CoA-LTE4[p];16,18-oxo-18-CoA-dinor-LTE4[p];3-hydroxyhexacosanoyl-CoA[p];3-hydroxytetracosanoyl-CoA[p];3-hydroxydocosanoyl-CoA[p];3-hydroxyeicosanoyl-CoA[p];3-hydroxyoctadecanoyl-CoA[p];(S)-3-hydroxyhexadecanoyl-CoA[p];(S)-3-hydroxytetradecanoyl-CoA[p];(S)-3-hydroxydodecanoyl-CoA[p];(S)-hydroxydecanoyl-CoA[p];(S)-hydroxyoctanoyl-CoA[p];(S)-hydroxyhexanoyl-CoA[p];(S)-3-hydroxybutyryl-CoA[p];3(S)-hydroxy-hexacosenoyl-CoA[p];3(S)-hydroxy-cis-15-tetracosaenoyl-CoA[p];3(S)-hydroxy-13-cis-docosenoyl-CoA[p];3(S)-hydroxy-11-cis-eicosenoyl-CoA[p];(S)-3-hydroxyoleyleoyl-CoA[p];(S)-3-hydroxy-7-hexadecenoyl-CoA[p];cis-(3S)-hydroxytetradec-5-enoyl-CoA[p];(S)-3-hydroxypalmitoleoyl-CoA[p];cis-(3S)-hydroxytetradec-7-enoyl-CoA[p];3-hydroxypristanoyl-CoA[p];3(R)-hydroxy-(4R,8R,12R)-trimethyl-tridecanoyl-CoA[p];3(R)-hydroxy-(2S,6R,10)-trimethyl-hendecanoyl-CoA[p];(3S)-3-hydroxylinoleoyl-CoA[p];(3S)-3-hydroxy-cis,cis-palmito-7,10-dienoyl-CoA[p];3(S)-hydroxy-(5Z,8Z)-tetradecadienoyl-CoA[p];(3S)-3-hydroxydodec-cis-6-enoyl-CoA[p];3(S)-hydroxy-13-cis-eicosenoyl-CoA[p];(S)-3-hydroxy-11-cis-octadecenoyl-CoA[p]	2	-1.9395	0.84238	0.99999	1.9395	0.20816	0.83934	4.6128	0.31423	0.83305	1	1.8118	0.62186	0.99076	1	4.7118	0.14217	0.65625
3-keto-THA-CoA[p];3-oxo-all-cis-6,9,12,15,18-tetracosapentaenoyl-CoA[p];3-oxo-dihomo-gamma-linolenoyl-CoA[p];3-oxo-(6Z,9Z,12Z)-octadecatrienoyl-CoA[p];3,5-dioxo-12(R)-hydroxy-eicosa-(8E,10E,14Z)-trienoyl-CoA[p];3,5-dioxo-12(S)-hydroxy-eicosa-(8E,10E,14Z)-trienoyl-CoA[p];18,20-dioxo-20-CoA-LTB4[p];3-oxo-5(S),12(R)-dihydroxy-eicosa-8-trans-6,14-cis-trienoyl-CoA[p];20-COOH-18-oxo-LTE4-CoA[p];3-oxohexacosanoyl-CoA[p];3-oxotetracosanoyl-CoA[p];3-oxodocosanoyl-CoA[p];3-oxoeicosanoyl-CoA[p];3-oxooctadecanoyl-CoA[p];3-oxopalmitoyl-CoA[p];3-oxotetradecanoyl-CoA[p];3-oxododecanoyl-CoA[p];3-oxodecanoyl-CoA[p];3-oxooctanoyl-CoA[p];3-oxohexanoyl-CoA[p];3-oxo-hexacosenoyl-CoA[p];3-oxo-cis-15-tetracosaenoyl-CoA[p];3-oxo-13cis-docosenoyl-CoA[p];3-oxo-11-cis-eicosenoyl-CoA[p];3-oxooleoyl-CoA[p];3-oxo-7-hexadecenoyl-CoA[p];3-oxomyrist-5-enoyl-CoA[p];3-oxopalmitoleoyl-CoA[p];3-oxomyrist-7-enoyl-CoA[p];3-ketopristanoyl-CoA[p];3-oxo-(4R,8R,12R)-trimethyl-tridecanoyl-CoA[p];3-oxo-(2S,6R,10R)-trimethyl-hendecanoyl-CoA[p];3-oxolinoleoyl-CoA[p];3-oxo-cis,cis-7,10-hexadecadienoyl-CoA[p];3-oxo-cis,cis-5,8-tetradecadienoyl-CoA[p];3-oxolaur-6-cis-enoyl-CoA[p];3-oxo-13-cis-eicosenoyl-CoA[p];3-oxo-11-cis-octadecenoyl-CoA[p]	4	-2.7087	0.91855	0.99999	2.7087	0.12356	0.72528	4.5713	0.52656	0.95019	2	1.0477	0.84801	0.99076	2	5.4171	0.15176	0.66182
(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA[p];(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA[p];4(R),8-dimethyl-nonanoyl-CoA[p]	2	-1.8912	0.83894	0.99999	1.8912	0.21171	0.8473	1.852	0.71487	0.97978	1	-0.33014	0.87453	0.99076	1	2.9492	0.34564	0.90068
5(S)-HEPE[c];5-oxo-EPE[c];5(S)-HEPE[p];5-oxo-EPE[p];leukotriene B4[p];12-oxo-10,11-dihydro-20-COOH-LTB4[c];12-oxo-20-carboxy-LTB4[c];12-oxo-10,11-dihydro-20-COOH-LTB4[r];12-oxo-20-carboxy-LTB4[r];10,11-dihydro-12R-hydroxy-LTC4[c];10,11-dihydro-12R-hydroxy-LTC4[m];10,11-dihydro-12R-hydroxy-LTC4[p];6-trans-LTB4[c];6-trans-LTB4[m];6-trans-LTB4[p];6-trans-12-epi-LTB4[c];6-trans-12-epi-LTB4[m];6-trans-12-epi-LTB4[p];20-COOH-10,11-dihydro-LTB4[c];20-COOH-10,11-dihydro-LTB4[m];20-COOH-10,11-dihydro-LTB4[p];10,11-dihydro-12-epi-LTB4[c];10,11-dihydro-12-epi-LTB4[m];10,11-dihydro-12-epi-LTB4[p]	3	0.97842	0.60001	0.99999	-0.97842	0.43584	1	3.7764	0.55566	0.9571	2	2.792	0.641	0.99076	1	2.5925	0.39712	0.92987
leukotriene A5[c]	2	-6.4106	0.98975	0.99999	6.4106	0.025485	0.34098	6.1995	0.13825	0.59815	0	NA	NA	NA	2	6.1995	0.092417	0.60846
leukotriene B5[c]	4	1.337	0.58947	0.99999	-1.337	0.45079	1	7.6768	0.13299	0.58696	2	6.4192	0.15258	0.69783	2	4.4375	0.25563	0.8225
leukotriene C5[c]	5	-1.4002	0.86248	0.99999	1.4002	0.19082	0.82355	4.4186	0.6313	0.97734	3	1.4506	0.88583	0.99076	2	5.2098	0.17101	0.6884
20-hydroxy-LTB5[c];leukotriene B5[r];20-hydroxy-LTB5[r];20-hydroxy-5S-HETE[c];5,12,20-TriHETE[c];20-OH-hepoxilin A3[c];20-OH-hepoxilin A3[r];12,20-diHETE[c];12,20-diHETE[r];12-oxo-20-hydroxy-LTB4[c];12-oxo-20-hydroxy-LTB4[r];12-oxo-20-dihydroxy-LTB4[c];12-oxo-20-dihydroxy-LTB4[r];12-oxo-20-trihydroxy-LTB4[c];12-oxo-20-trihydroxy-LTB4[r];20-dihydroxy-LTB4[c];20-dihydroxy-LTB4[r];20-trihydroxy-LTB4[c];20-trihydroxy-LTB4[r];20-OH-10,11-dihydro-LTB4[c];20-OH-10,11-dihydro-LTB4[r];10,11-dihydro-20-dihydroxy-LTB4[c];10,11-dihydro-20-dihydroxy-LTB4[r];10,11-dihydro-20-trihydroxy-LTB4[c];10,11-dihydro-20-trihydroxy-LTB4[r];alpha-tocotrienol[c];13-hydroxy-alpha-tocotrienol[c];alpha-tocotrienol[r];13-hydroxy-alpha-tocotrienol[r];13-carboxy-alpha-tocotrienol[c];13-carboxy-alpha-tocotrienol[r];gamma-tocotrienol[c];13-hydroxy-gamma-tocotrienol[c];gamma-tocotrienol[r];13-hydroxy-gamma-tocotrienol[r];13-carboxy-gamma-tocotrienol[c];13-carboxy-gamma-tocotrienol[r];gamma-tocopherol[c];13-hydroxy-gamma-tocopherol[c];gamma-tocopherol[r];13-hydroxy-gamma-tocopherol[r];13-carboxy-gamma-tocopherol[c];13-carboxy-gamma-tocopherol[r];alpha-tocopherol[c];13-hydroxy-alpha-tocopherol[c];alpha-tocopherol[r];13-hydroxy-alpha-tocopherol[r];13-carboxy-alpha-tocopherol[c];13-carboxy-alpha-tocopherol[r]	3	3.9769	0.26465	0.79738	-3.9769	0.73343	1	6.5233	0.18225	0.65765	2	6.4192	0.15258	0.69783	1	2.2205	0.45277	0.95692
5(S),6(S)-epoxy-15(R)-HEPE[c];5(S),6(S)-epoxy-15(R)-HEPE[r];5(S),6(S)-epoxy-15(R)-HEPE[p];(5S,6S)-epoxy-(15R)-hydroxy-ETE[c];(5S,6S)-epoxy-(15R)-hydroxy-ETE[p];(5S,6S)-epoxy-(15R)-hydroxy-ETE[r];lipoxin B4[c];lipoxin B4[n];5,6-epoxytetraene[r];5,6-epoxytetraene[p]	3	-5.2246	0.98119	0.99999	5.2246	0.037137	0.4062	5.8272	0.26058	0.77413	1	0.42228	0.80339	0.99076	2	6.8382	0.058376	0.52355
15-epi-lipoxin B5[c];15-epi-lipoxin A5[c];15-epi-lipoxin A5[r];15-epi-lipoxin B5[r];15-epi-lipoxin A5[p];15-epi-lipoxin B5[p];5,6-DHET[c];8,9-DHET[c];11,12-DHET[c];14,15-DHET[c];15-epi-lipoxin A4[c];15-epi-lipoxin A4[p];15-epi-lipoxin A4[r];15-epi-lipoxin B4[c];15-epi-lipoxin B4[p];15-epi-lipoxin B4[r];lipoxin B4[r];lipoxin B4[p];lipoxin A4[n];lipoxin A4[r];lipoxin A4[p];trioxilin A3[c];trioxilin A3[r];trioxilin A3[p]	2	-1.1603	0.78099	0.99999	1.1603	0.2695	0.90708	1.9638	0.70024	0.97978	1	0.42228	0.80339	0.99076	1	2.3549	0.4325	0.95692
EPA[n]	4	-3.1638	0.9366	0.99999	3.1638	0.10139	0.67881	4.7711	0.49632	0.94215	2	0.98459	0.85361	0.99076	2	5.7628	0.12299	0.65625
PGH3[c];PGH3[n]	6	8.0585	0.056461	0.3886	-7.6771	0.9193	1	8.368	0.16976	0.63972	5	8.7937	0.12458	0.62145	1	0.83407	0.65952	0.9673
NADPH[n]	6	-1.7992	0.90106	0.99999	1.7992	0.14586	0.75996	6.4024	0.41633	0.8823	3	3.164	0.70487	0.99076	3	5.8903	0.15855	0.66304
NADP+[n]	8	0.99351	0.7158	0.99999	-0.99351	0.34482	0.99872	7.9659	0.30606	0.82908	5	5.5136	0.551	0.99076	3	5.8903	0.15855	0.66304
prostaglandin E3[c]	4	6.3243	0.11217	0.52815	-5.8572	0.8488	1	12.084	0.0026728	0.0958	3	10.549	0.009831	0.17163	1	5.8965	0.063833	0.54506
prostaglandin E3[n];prostaglandin E2[r]	3	10.772	0.0042813	0.077146	-10.233	0.98811	1	10.549	0.0073241	0.16122	3	10.549	0.009831	0.17163	0	NA	NA	NA
(18R)-HEPE[c];15(R)-HETE[c];15(R)-HETE[p];15(R)-HETE[r]	3	-4.4972	0.9689	0.99999	4.4972	0.055406	0.50575	4.8953	0.38728	0.86568	1	0.32907	0.81334	0.99076	2	5.7628	0.12299	0.65625
3-oxo-dihomo-gamma-linolenoyl-CoA[c]	7	6.4016	0.14557	0.5934	-6.4016	0.84965	1	6.2707	0.49969	0.94572	6	6.3887	0.50596	0.99076	1	0.94165	0.64432	0.9673
(2E,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA[c]	4	-1.2282	0.83336	0.99999	1.2282	0.21796	0.862	5.8553	0.33693	0.84884	3	2.3245	0.80644	0.99076	1	7.6844	0.013672	0.28638
2-trans-cis,cis,cis,cis-4,8,11,14-eicosapentaenoyl-CoA[m]	8	-0.066933	0.81034	0.99999	4.6857	0.030743	0.37081	5.5764	0.65897	0.97978	5	3.1877	0.84994	0.99076	3	4.9909	0.25653	0.8225
trans-3-cis-5,8,11,14-eicosapentaenoyl-CoA[m]	2	1.9031	0.45074	0.95632	-1.9031	0.56591	1	1.1627	0.79679	0.98053	2	1.1627	0.83743	0.99076	0	NA	NA	NA
trans-3-cis-8,11,14-eicosatetraenoyl-CoA[m]	5	3.5242	0.36458	0.88311	-3.5242	0.65226	1	3.7186	0.72619	0.97978	4	3.7687	0.7249	0.99076	1	0.77753	0.6674	0.9673
trans-2-cis,cis,cis-8,11,14-eicosatetraenoyl-CoA[m];(2E)-dodecenoyl-CoA[m]	9	0.45712	0.78288	0.99999	3.8975	0.04433	0.45812	4.5223	0.83608	0.9838	7	2.1544	0.96719	0.99076	2	5.5627	0.13914	0.65625
dihomo-gamma-linolenoyl-CoA[m];(13Z)-eicosenoyl-CoA[m];heneicosanoyl-CoA[m];docosanoyl-CoA[m];(13Z)-docosenoyl-CoA[m];linoleoyl-CoA[m]	6	-1.0089	0.85481	0.99999	6.3422	0.012835	0.2203	4.8648	0.64451	0.97967	4	2.0247	0.89906	0.99076	2	5.5627	0.13914	0.65625
3-oxo-dihomo-gamma-linolenoyl-CoA[m];3-oxo-(6Z,9Z,12Z)-octadecatrienoyl-CoA[m];3,5-dioxo-12(R)-hydroxy-eicosa-(8E,10E,14Z)-trienoyl-CoA[m];3,5-dioxo-12(S)-hydroxy-eicosa-(8E,10E,14Z)-trienoyl-CoA[m];18,20-dioxo-20-CoA-LTB4[m];3-oxo-5(S),12(R)-dihydroxy-eicosa-8-trans-6,14-cis-trienoyl-CoA[m];3-oxodocosanoyl-CoA[m];3-oxoeicosanoyl-CoA[m];3-oxooctadecanoyl-CoA[m];3-oxopalmitoyl-CoA[m];3-oxotetradecanoyl-CoA[m];3-oxododecanoyl-CoA[m];3-oxodecanoyl-CoA[m];3-oxooctanoyl-CoA[m];3-oxohexanoyl-CoA[m];3-oxoheneicosanoyl-CoA[m];3-oxononadecanoyl-CoA[m];3-oxoheptadecanoyl-CoA[m];3-oxopentadecanoyl-CoA[m];3-oxotridecanoyl-CoA[m];3-oxoundecanoyl-CoA[m];3-oxononanoyl-CoA[m];3-oxoheptanoyl-CoA[m];3-oxopentanoyl-CoA[m];3-oxo-13-cis-eicosenoyl-CoA[m];3-oxo-11-cis-octadecenoyl-CoA[m];3-oxopalmitoleoyl-CoA[m];3-oxomyrist-7-enoyl-CoA[m];3-oxo-13cis-docosenoyl-CoA[m];3-oxo-11-cis-eicosenoyl-CoA[m];3-oxooleoyl-CoA[m];3-oxo-7-hexadecenoyl-CoA[m];3-oxomyrist-5-enoyl-CoA[m];3-oxolinoleoyl-CoA[m];3-oxo-cis,cis-7,10-hexadecadienoyl-CoA[m];3-oxo-cis,cis-5,8-tetradecadienoyl-CoA[m];3-oxolaur-6-cis-enoyl-CoA[m];3-oxo-8(R)-hydroxy-hexadeca-(6E,10Z)-dienoate[m];3-oxo-6(R)-hydroxy-tetradec-8-cis-enoate[m];3-oxo-8(S)-hydroxy-hexadeca-(6E,10Z)-dienoate[m];3-oxo-6(S)-hydroxy-tetradec-(8Z)-enoate[m];3-oxo-4(R),8-dimethyl-nonanoyl-CoA[m];3-oxo-(2S)-methylisocapryloyl-CoA[m];3-oxo-4-methyl-pentanoyl-CoA[m]	5	0.96546	0.65573	0.99999	-0.96546	0.3949	1	2.9192	0.81728	0.9838	4	1.5352	0.92878	0.99076	1	3.4572	0.27718	0.83213
gamma-linolenoyl-CoA[m];lauroyl-CoA[m];tridecanoyl-CoA[m];myristoyl-CoA[m];(7Z)-tetradecenoyl-CoA[m];5-tetradecenoyl-CoA[m];pentadecanoyl-CoA[m];palmitoyl-CoA[m];7-hexadecenoyl-CoA[m];palmitoleoyl-CoA[m];heptadecanoyl-CoA[m];stearoyl-CoA[m];cis-vaccenoyl-CoA[m];oleoyl-CoA[m];nonadecanoyl-CoA[m];eicosanoyl-CoA[m];(11Z)-eicosenoyl-CoA[m]	9	-1.7304	0.92226	0.99999	6.0851	0.011666	0.20924	4.7827	0.81025	0.98376	6	1.2346	0.97791	0.99076	3	6.538	0.10569	0.62537
(2E,6Z,9Z,12Z)-octadecatetraenoyl-CoA[m];(2E)-docosenoyl-CoA[m];(2E)-eicosenoyl-CoA[m];(2E)-octadecenoyl-CoA[m];(2E)-hexadecenoyl-CoA[m];(2E)-tetradecenoyl-CoA[m];(2E)-heneicosenoyl-CoA[m];(2E)-nonadecenoyl-CoA[m];(2E)-heptadecenoyl-CoA[m];(2E)-pentadecenoyl-CoA[m];(2E)-tridecenoyl-CoA[m];trans,cis-2,13-eicosadienoyl-CoA[m];trans,cis-octadeca-2,11-dienoyl-CoA[m];trans,cis-hexadeca-2,9-dienoyl-CoA[m];trans,cis-myristo-2,7-dienoyl-CoA[m];trans,cis-2,13-docosadienoyl-CoA[m];trans,cis-2,11-eicosadienoyl-CoA[m];trans,cis-octadeca-2,9-dienoyl-CoA[m];trans,cis-hexadeca-2,7-dienoyl-CoA[m];trans,cis-myristo-2,5-dienoyl-CoA[m];trans,cis,cis-2,9,12-octadecatrienoyl-CoA[m];trans-2-cis,cis-5,8-tetradecatrienoyl-CoA[m]	6	-1.1545	0.86427	0.99999	6.4878	0.011638	0.20924	4.4106	0.70624	0.97978	4	1.4684	0.93225	0.99076	2	5.5627	0.13914	0.65625
(4Z,7Z,10Z)-hexadecatrienoyl-CoA[m];cis,cis-palmito-7,10-dienoyl-CoA[m];cis,cis-myristo-5,8-dienoyl-CoA[m];4-cis-decenoyl-CoA[m]	7	-3.5082	0.96717	0.99999	8.4459	0.0025512	0.075644	4.1607	0.7891	0.97978	4	-0.15796	0.98324	0.99076	3	6.538	0.10569	0.62537
(2E,4Z,7Z,10Z)-hexadecatetraenoyl-CoA[m];2-trans-4-cis-decadienoyl-CoA[m]	6	-1.176	0.86563	0.99999	6.5093	0.011469	0.20924	5.7678	0.51152	0.9497	3	3.166	0.70461	0.99076	3	4.9909	0.25653	0.8225
(3Z,7Z,10Z)-hexadecatrienoyl-CoA[m];trans-3-decenoyl-CoA[m]	4	3.1862	0.37896	0.89804	-3.1862	0.6364	1	3.598	0.66863	0.97978	3	3.7057	0.62849	0.99076	1	0.77753	0.6674	0.9673
trans,cis,cis-2,7,10-hexadecatrienoyl-CoA[m]	8	-0.048262	0.80887	0.99999	4.6671	0.031081	0.37233	4.401	0.80525	0.98271	6	1.8702	0.96131	0.99076	2	5.5627	0.13914	0.65625
arachidonyl-CoA[p]	20	12.845	0.0097517	0.13752	-12.549	0.98428	1	15.164	0.039195	0.34001	15	16.005	0.012848	0.18948	5	2.6069	0.73117	0.9673
2-trans-cis,cis,cis,cis-4,8,11,14-eicosapentaenoyl-CoA[p]	7	3.941	0.36826	0.88714	-3.941	0.65518	1	3.5355	0.8512	0.98551	6	3.5013	0.87159	0.99076	1	0.77753	0.6674	0.9673
trans-3-cis-5,8,11,14-eicosapentaenoyl-CoA[p];trans-2-cis,cis,cis-8,11,14-eicosatetraenoyl-CoA[p];trans,cis-lauro-2,6-dienoyl-CoA[p]	3	2.771	0.39197	0.91149	-2.771	0.62082	1	1.9954	0.79353	0.97978	3	1.9954	0.83961	0.99076	0	NA	NA	NA
trans-3-cis-8,11,14-eicosatetraenoyl-CoA[p];(3Z,7Z,10Z)-hexadecatrienoyl-CoA[p];18-COOH-(15E)-dinor-LTE4-CoA[p];trans-3-decenoyl-CoA[p]	5	3.7927	0.33555	0.85825	-3.7927	0.67741	1	4.0284	0.68566	0.97978	4	4.1151	0.67818	0.99076	1	0.77753	0.6674	0.9673
gamma-linolenoyl-CoA[p];(4Z,7Z,10Z)-hexadecatrienoyl-CoA[p];docosanoyl-CoA[p];eicosanoyl-CoA[p];stearoyl-CoA[p];myristoyl-CoA[p];lauroyl-CoA[p];decanoyl-CoA[p];hexanoyl-CoA[p];butyryl-CoA[p];(13Z)-docosenoyl-CoA[p];(11Z)-eicosenoyl-CoA[p];oleoyl-CoA[p];7-hexadecenoyl-CoA[p];5-tetradecenoyl-CoA[p];palmitoleoyl-CoA[p];(7Z)-tetradecenoyl-CoA[p];4,8,12-trimethyltridecanoyl-CoA[p];cis,cis-palmito-7,10-dienoyl-CoA[p];cis,cis-myristo-5,8-dienoyl-CoA[p];4-cis-decenoyl-CoA[p];cis-vaccenoyl-CoA[p]	4	-0.36411	0.76356	0.99999	0.36411	0.28831	0.93502	1.4826	0.89237	0.98725	3	0.0092364	0.96122	0.99076	1	2.9492	0.34564	0.90068
(2E,4Z,7Z,10Z)-hexadecatetraenoyl-CoA[p];18-COOH-(16E)-dinor-LTE5-CoA[p];2-trans-4-cis-decadienoyl-CoA[p];8(R)-hydroxy-hexadeca-(2E,4E,6E,10Z)-tetraenoate[m];6(R)-hydroxy-tetradeca-(2E,4E,8Z)-trienoate[m];8(S)-hydroxy-hexadeca-(2E,4E,6E,10Z)-tetraenoate[m];6(S)-hydroxy-tetradeca-(2E,4E,8Z)-trienoate[m]	4	2.8137	0.42052	0.9301	-2.8137	0.60012	1	2.9489	0.75255	0.97978	3	2.9562	0.73213	0.99076	1	0.77753	0.6674	0.9673
trans,cis,cis-2,7,10-hexadecatrienoyl-CoA[p];(2E)-dodecenoyl-CoA[p];(2E)-decenoyl-CoA[p]	5	3.0169	0.42148	0.9301	-3.0169	0.60294	1	1.7004	0.91437	0.98725	5	1.7004	0.94704	0.99076	0	NA	NA	NA
7-HETE[c];8-HETE[c];9-HETE[c];10-HETE[c];11-HETE[c];13-HETE[c];16(R)-HETE[c];17-HETE[c];18-HETE[c];19(S)-HETE[c];FADH2[r];5,6-EET[r];FAD[r];8,9-EET[r];14,15-EET[r];15H-11,12-EETA[c];11,12,15-THETA[c];11h-14,15-EETA[c];11,14,15-THETA[c];6,7-dihydro-LTB4[c];6,7-dihydro-LTB4[m];6,7-dihydro-LTB4[r];6,7-dihydro-LTB4[p];5-oxo-(6E)-12-epi-LTB4[r];19-hydroxytestosterone[c];19-oxo-testosterone[c];19-hydroxyandrostenedione[c];19-oxoandrostenedione[c];2-hydroxyestradiol-17beta[r];16alpha-hydroxyestrone[c];16alpha-hydroxyestrone[r];18-hydroxy-all-trans-retinoate[c];18-hydroxy-all-trans-retinoate[r]	23	1.6677	0.83862	0.99999	-1.6677	0.24818	0.90708	10.057	0.68897	0.97978	13	7.7269	0.74918	0.99076	10	6.4423	0.44058	0.95692
11,12-EET[c];14,15-EET[c]	50	1.8664	0.95017	0.99999	-1.8664	0.11831	0.71797	13.82	0.87371	0.98725	30	9.6105	0.96784	0.99076	20	10.081	0.27248	0.83213
5(S)-HPETE[c]	8	0.61331	0.7521	0.99999	4.0369	0.04438	0.45812	11.27	0.037986	0.33548	5	7.1392	0.30627	0.9323	3	9.1872	0.01161	0.26703
leukotriene A4[c]	6	-8.236	0.99922	0.99999	8.236	0.003247	0.087557	11.644	0.014088	0.22554	1	4.4899	0.23053	0.83405	5	10.748	0.0063766	0.21147
5(S)-HETE[c]	15	2.0636	0.72163	0.99999	1.3325	0.10606	0.69955	13.367	0.052223	0.38319	9	9.6634	0.24185	0.85993	6	9.2992	0.038796	0.43412
leukotriene B4[c]	11	-2.032	0.94386	0.99999	2.032	0.10215	0.67881	12.558	0.037685	0.33548	5	7.8336	0.21842	0.82479	6	9.8522	0.02403	0.34613
5(S)-HETE[m];12(S)-HPETE[c];12(S)-HPETE[s];12(S)-HPETE[r];12(S)-HPETE[p]	8	2.4104	0.56273	0.99999	2.2398	0.10812	0.70084	9.4092	0.14441	0.60294	5	7.1392	0.30627	0.9323	3	6.1485	0.13571	0.65625
leukotriene B4[m]	7	2.3651	0.54939	0.99999	-2.3651	0.4969	1	7.5185	0.31693	0.83675	4	6.5133	0.31891	0.93576	3	3.9639	0.39795	0.93011
leukotriene B4[r]	8	-0.40685	0.83599	0.99999	0.40685	0.22304	0.8664	9.6194	0.12686	0.57504	4	6.5133	0.31891	0.93576	4	7.0907	0.10622	0.62592
5-oxo-ETE[c];5-oxo-12-HETE[c]	4	-0.31531	0.75919	0.99999	0.31531	0.29258	0.93502	4.2968	0.56783	0.96426	2	2.792	0.641	0.99076	2	3.2846	0.4133	0.94785
5,12-DiHETE[c]	6	3.5039	0.39825	0.91675	-3.5039	0.62528	1	7.283	0.29305	0.81141	4	6.5133	0.31891	0.93576	2	3.4033	0.39583	0.92837
15(S)-HPETE[c]	34	0.46318	0.95286	0.99999	1.7925	0.033436	0.39518	14.802	0.34222	0.85452	18	10.329	0.62131	0.99076	16	10.622	0.12934	0.65625
arachidonate[n];15-HpETrE[c]	2	-3.3281	0.92102	0.99999	3.3281	0.1217	0.72528	2.9348	0.56169	0.96126	0	NA	NA	NA	2	2.9348	0.46564	0.96094
15(S)-HPETE[n]	4	-7.2201	0.99652	0.99999	7.2201	0.010441	0.20064	6.7593	0.22242	0.72606	0	NA	NA	NA	4	6.7593	0.13132	0.65625
15(S)-HPETE[r];15(S)-HPETE[p]	3	-6.9946	0.99534	0.99999	6.9946	0.012283	0.21631	6.62	0.17266	0.64148	0	NA	NA	NA	3	6.62	0.10004	0.61875
arachidonate[p]	12	-3.1286	0.97615	0.99999	3.1286	0.053543	0.50422	5.148	0.87827	0.98725	4	2.061	0.89655	0.99076	8	4.8477	0.58802	0.9673
14,15-DiHETE[c];14,15-DiHETE[n];leukotriene A4[n]	2	-6.8827	0.99297	0.99999	6.8827	0.019133	0.28492	6.6244	0.10564	0.52851	0	NA	NA	NA	2	6.6244	0.068459	0.57393
5,6-epoxytetraene[c];5,6-epoxytetraene[n]	4	-5.6873	0.98797	0.99999	5.6873	0.027526	0.35382	6.0728	0.30734	0.82908	1	0.42228	0.80339	0.99076	3	6.7684	0.090366	0.6069
H2O2[r]	4	-2.3919	0.90385	0.99999	2.3919	0.14086	0.75377	3.9508	0.61875	0.97734	3	0.33823	0.9492	0.99076	1	7.3157	0.019429	0.31942
lipoxin A4[c]	3	-2.2763	0.88711	0.99999	2.2763	0.15545	0.78847	2.7736	0.69923	0.97978	1	0.42228	0.80339	0.99076	2	3.0983	0.44104	0.95692
arachidonate[s]	13	-9.6585	0.99995	0.99999	16.932	1.0872e-07	0.00011154	19.343	2.06e-05	0.0054639	2	9.6939	0.011385	0.17878	11	16.895	3.4266e-05	0.010971
12(S)-HETE[c]	7	-0.40293	0.82463	0.99999	0.40293	0.2349	0.88577	9.2775	0.12577	0.5729	3	6.9356	0.17672	0.75071	4	6.2665	0.17574	0.6942
GSH[r]	22	-1.578	0.9712	0.99999	1.7771	0.061288	0.52906	8.2513	0.86157	0.98725	9	5.4337	0.82495	0.99076	13	6.2129	0.60433	0.9673
12(S)-HETE[r]	5	-1.2725	0.85412	0.99999	1.2725	0.19988	0.83212	9.2425	0.067107	0.43646	2	6.4192	0.15258	0.69783	3	6.6908	0.095331	0.60846
hepoxilin A3[c];hepoxilin A3[r]	32	2.5042	0.83371	0.99999	-0.013984	0.1012	0.67881	12.476	0.64137	0.97967	17	10.13	0.60437	0.99076	15	7.4383	0.49881	0.96722
hepoxilin A3[p]	29	1.3514	0.89749	0.99999	1.2644	0.056384	0.51182	11.007	0.75232	0.97978	15	8.4398	0.75401	0.99076	14	7.1059	0.50941	0.9673
hepoxilin A3-c[c];hepoxilin A3-c[r];GSH[p];hepoxilin A3-c[p];12-oxo-c-LTB3[r];S-(PGA2)-glutathione[c];delta-12-prostaglandin J2[c];9-deoxy-delta12-PGD2[c];S-(PGA1)-glutathione[c]	20	-0.050162	0.91899	0.99999	0.25902	0.13369	0.75377	7.1414	0.90806	0.98725	9	5.4337	0.82495	0.99076	11	4.7144	0.73354	0.9673
9,10-epoxy-(6Z,12Z)-octadecadienoic acid[c];7,8-epoxy-(4Z,10Z)-hexadecadienoic acid[c];5,6-epoxy-(8Z)-tetradecenoic acid[c];12,13-epoxy-(6Z,9Z)-octadecadienoic acid[c];10,11-epoxy-(4Z,7Z)-hexadecadienoic acid[c];8,9-epoxy-(5Z)-tetradecenoic acid[c];13-carboxy-alpha-tocotrienol[m];3-carboxy-alpha-chromanol[m];gamma-carboxyethyl-hydroxychroman[m];11-carboxy-gamma-chromanol[m];9-carboxy-gamma-chromanol[m];7-carboxy-gamma-chromanol[m];11-carboxy-alpha-chromanol[m];9-carboxy-alpha-chromanol[m];7-carboxy-alpha-chromanol[m]	25	1.3681	0.86991	0.99999	-1.3681	0.21142	0.8473	9.3423	0.83259	0.9838	16	6.0893	0.95538	0.99076	9	7.4515	0.26261	0.82667
12-hetre[c]	2	1.2582	0.52612	0.99999	-1.2582	0.50069	1	2.7428	0.59032	0.9749	1	2.9347	0.44875	0.99076	1	0.94423	0.64396	0.9673
glycerol[c]	21	0.20073	0.91185	0.99999	-0.20061	0.15249	0.7829	11.833	0.35557	0.85452	12	7.718	0.70462	0.99076	9	9.1626	0.09876	0.61875
leukotriene C4[c]	7	1.4334	0.65411	0.99999	-1.4334	0.40189	1	6.2052	0.50965	0.9497	5	4.0471	0.75825	0.99076	2	5.2098	0.17101	0.6884
leukotriene C4[s]	6	3.5289	0.39545	0.91149	-3.5289	0.62773	1	4.7785	0.6566	0.97978	5	4.0471	0.75825	0.99076	1	2.6554	0.38788	0.92837
5-L-gamma-glutamyl[s];glutamate[r];LTD4[r]	4	0.86044	0.64204	0.99999	-0.86044	0.40306	1	2.584	0.79421	0.97978	3	1.4506	0.88583	0.99076	1	2.6554	0.38788	0.92837
LTD4[s]	7	-2.6761	0.94493	0.99999	2.6761	0.095092	0.66188	9.0602	0.14371	0.60294	4	3.773	0.72435	0.99076	3	9.483	0.0085697	0.23962
leukotriene E4[s]	2	-1.9738	0.8448	0.99999	1.9738	0.20566	0.83643	9.1263	0.013799	0.22554	1	5.0335	0.17114	0.73856	1	7.8731	0.011343	0.26703
N-acetyl-LTE4[c];N-acetyl-LTE4[n];leukotriene E4[n]	50	13.084	0.053825	0.38168	-13.086	0.95498	1	17.693	0.36277	0.85452	33	18.929	0.067393	0.45903	17	3.9699	0.93343	0.97586
leukotriene E4[c]	50	13.084	0.053825	0.38168	-13.086	0.95498	1	17.693	0.36277	0.85452	33	18.929	0.067393	0.45903	17	3.9699	0.93343	0.97586
CoA[n];acetyl-CoA[n]	50	13.084	0.053825	0.38168	-13.086	0.95498	1	17.693	0.36277	0.85452	33	18.929	0.067393	0.45903	17	3.9699	0.93343	0.97586
15-oxo-lipoxin A4[c];13,14-dihydro-15-oxo-lipoxin A4[c]	24	4.8427	0.54096	0.99999	-4.8426	0.53834	1	9.7711	0.76041	0.97978	15	9.0182	0.6787	0.99076	9	4.3137	0.7132	0.9673
12-keto-LTB4[c]	28	1.9159	0.86211	0.99999	-1.7394	0.21098	0.8473	10.14	0.81808	0.9838	14	8.6225	0.67758	0.99076	14	5.7176	0.70936	0.9673
12-keto-LTB4[m];12-keto-LTB4[p]	25	0.64995	0.90914	0.99999	-0.46314	0.15035	0.77416	8.4714	0.90208	0.98725	12	6.6927	0.82534	0.99076	13	5.3176	0.72725	0.9673
12-keto-LTB4[r]	26	1.6392	0.86284	0.99999	-1.4561	0.20822	0.83934	9.762	0.81033	0.98376	13	8.134	0.69632	0.99076	13	5.6716	0.68086	0.9673
12-oxo-c-LTB3[c];12-oxo-c-LTB3[m];12-oxo-c-LTB3[p]	23	0.30659	0.91636	0.99999	-0.11183	0.14134	0.75377	8.0232	0.89746	0.98725	11	6.1055	0.84541	0.99076	12	5.2621	0.70188	0.9673
20-OH-LTB4[c];20-OH-LTB4[m];20-OH-LTB4[r]	11	-0.71998	0.88613	0.99999	0.71998	0.17548	0.81747	11.644	0.075906	0.45935	5	8.1981	0.17882	0.75071	6	8.2819	0.084594	0.6069
20-oxo-LTB4[c];20-oxo-LTB4[m];20-oxo-LTB4[r];20-oxo-LTE4[p];3alpha,7alpha-dihydroxy-5beta-cholestan-26-al[c]	13	-1.6438	0.94095	0.99999	1.6438	0.10665	0.70079	11.56	0.12533	0.5729	6	7.3881	0.3548	0.97794	7	8.914	0.072825	0.57891
20-COOH-LTB4[c];20-COOH-LTB4[m]	15	2.2014	0.70793	0.99999	-2.2014	0.36892	1	10.685	0.27685	0.7962	9	8.2324	0.44146	0.99076	6	6.8123	0.20855	0.77549
20-COOH-LTB4[r];20-COOH-LTE4[p]	12	1.972	0.68816	0.99999	-1.972	0.3825	1	10.058	0.24372	0.75828	7	7.8423	0.36496	0.98624	5	6.3031	0.2135	0.78632
5-oxo-6-trans-LTB4[c];5-oxo-6-trans-LTB4[m];5-oxo-6-trans-LTB4[p]	25	1.1335	0.88384	0.99999	-1.1335	0.19434	0.82512	10.183	0.74115	0.97978	14	7.4697	0.81783	0.99076	11	6.9242	0.4161	0.94785
6,7-dihydro-5-oxo-LTB4[c];6,7-dihydro-5-oxo-LTB4[m];6,7-dihydro-5-oxo-LTB4[r];6,7-dihydro-5-oxo-LTB4[p];6,7-dihydro-5-oxo-12-epi-LTB4[c];6,7-dihydro-5-oxo-12-epi-LTB4[m];6,7-dihydro-5-oxo-12-epi-LTB4[r];6,7-dihydro-5-oxo-12-epi-LTB4[p]	30	2.096	0.8618	0.99999	-2.096	0.22736	0.87611	12.545	0.56121	0.96126	17	9.6443	0.67478	0.99076	13	8.0287	0.33547	0.90068
5-oxo-6-trans-LTB4[r]	22	0.84699	0.88396	0.99999	-0.84699	0.19149	0.82355	9.4604	0.73541	0.97978	12	6.9284	0.80078	0.99076	10	6.4423	0.44058	0.95692
5-oxo-12(R)-hydroxy-eicosa-(8E,10E,14Z)-trienoyl-CoA[c];5-oxo-12(R)-hydroxy-eicosa-(8E,10E,14Z)-trienoyl-CoA[r];5-oxo-12(S)-hydroxy-eicosa-(8E,10E,14Z)-trienoyl-CoA[c];5-oxo-12(S)-hydroxy-eicosa-(8E,10E,14Z)-trienoyl-CoA[r];20-CoA-20-oxo-LTB4[c];20-CoA-20-oxo-LTB4[r];10,11-dihydro-LTB4-CoA[c];10,11-dihydro-LTB4-CoA[r]	7	1.3161	0.66667	0.99999	-1.3161	0.39021	1	7.741	0.28738	0.80348	4	5.9525	0.40033	0.99076	3	4.9511	0.26148	0.82667
5-oxo-12(R)-hydroxy-eicosa-(8E,10E,14Z)-trienoyl-CoA[m];5-oxo-12(R)-hydroxy-eicosa-(8E,10E,14Z)-trienoyl-CoA[p];5-oxo-12(S)-hydroxy-eicosa-(8E,10E,14Z)-trienoyl-CoA[m];5-oxo-12(S)-hydroxy-eicosa-(8E,10E,14Z)-trienoyl-CoA[p];20-CoA-20-oxo-LTB4[m];20-CoA-20-oxo-LTB4[p];10,11-dihydro-LTB4-CoA[m];10,11-dihydro-LTB4-CoA[p];20-COOH-LTE4-CoA[p]	9	1.8094	0.65071	0.99999	-1.8094	0.4101	1	6.9423	0.52101	0.95019	6	5.0015	0.70971	0.99076	3	4.9511	0.26148	0.82667
AMP[p];ATP[p]	12	2.0517	0.67988	0.99999	-2.0517	0.39035	1	8.0146	0.53192	0.95101	8	5.7891	0.74184	0.99076	4	5.6945	0.23792	0.81031
5-oxo-12(R)-hydroxy-eicosa-(2E,8E,10E,14Z)-tetraenoyl-CoA[m];5-oxo-12(S)-hydroxy-eicosa-(2E,8E,10E,14Z)-tetraenoyl-CoA[m];(18E)-20-oxo-20-CoA-LTB4[m];5(S),12(R)-dihydroxy-eicosa-2,8-trans-6,14-cis-tetraenoyl-CoA[m]	4	2.8401	0.41753	0.92838	-2.8401	0.60273	1	1.2868	0.9055	0.98725	4	1.2868	0.94103	0.99076	0	NA	NA	NA
3-oxo-10(R)-hydroxy-octadeca-(6E,8E,12Z)-trienoyl-CoA[m];3-oxo-10(R)-hydroxy-octadeca-(6E,8E,12Z)-trienoate[m];3-oxo-10(S)-hydroxy-octadeca-(6E,8E,12Z)-trienoyl-CoA[m];3-oxo-10(S)-hydroxy-octadeca-(6E,8E,12Z)-trienoate[m];18-CoA-18-oxo-dinor-LTB4[m];3(S),10(R)-OH-octadeca-6-trans-4,12-cis-trienoyl-CoA[m]	9	-1.4843	0.91127	0.99999	1.4843	0.14036	0.75377	3.8541	0.89142	0.98725	5	1.2377	0.96387	0.99076	4	4.3973	0.41412	0.94785
3-oxo-10(R)-hydroxy-octadeca-(6E,8E,12Z)-trienoyl-CoA[p];3-oxo-10(S)-hydroxy-octadeca-(6E,8E,12Z)-trienoyl-CoA[p];18-CoA-18-oxo-dinor-LTB4[p];3(S),10(R)-OH-octadeca-6-trans-4,12-cis-trienoyl-CoA[p]	8	-1.5583	0.90547	0.99999	1.5583	0.14454	0.75531	4.1541	0.83028	0.9838	4	1.7314	0.9178	0.99076	4	4.1433	0.45231	0.95692
3-oxo-10(R)-hydroxy-octadeca-(6E,8E,12Z)-trienoate[p];3-oxo-10(S)-hydroxy-octadeca-(6E,8E,12Z)-trienoate[p];omega-carboxy-trinor-LTB4[m];omega-carboxy-trinor-LTB4[p];3(S),10(R)-OH-octadeca-6-trans-4,12-cis-trienoate[m];3(S),10(R)-OH-octadeca-6-trans-4,12-cis-trienoate[p];18-COOH-LTE4[p];(13E)-tetranor-16-carboxy-LTE4[p];propanoate[p];chenodiol[p]	6	-0.70747	0.83384	0.99999	0.70747	0.22019	0.86553	3.7275	0.78842	0.97978	3	2.1898	0.82049	0.99076	3	3.0816	0.5323	0.9673
5-oxo-(6E)-12-epi-LTB4[c];5-oxo-(6E)-12-epi-LTB4[m];5-oxo-(6E)-12-epi-LTB4[p]	26	1.9009	0.84525	0.99999	-1.9009	0.24271	0.90115	10.742	0.69444	0.97978	15	8.2128	0.78074	0.99076	11	6.9242	0.4161	0.94785
10,11-dihydro-12-oxo-LTB4[c];10,11-dihydro-12-oxo-LTB4[m];10,11-dihydro-12-oxo-LTB4[p]	5	1.5536	0.5906	0.99999	-1.5536	0.4541	1	4.6599	0.59624	0.9749	3	3.974	0.58845	0.99076	2	2.5009	0.5313	0.9673
10,11-dihydro-LTB4[c]	13	3.3462	0.54401	0.99999	-3.3462	0.51645	1	10.628	0.21325	0.71644	8	8.8146	0.29923	0.93225	5	5.9876	0.25018	0.81713
10,11-dihydro-LTB4[m];10,11-dihydro-LTB4[p];20-COOH-LTB4[p]	10	1.637	0.68966	0.99999	-1.637	0.37278	1	8.545	0.3382	0.85081	6	6.4721	0.49306	0.99076	4	5.5841	0.25119	0.81713
10,11-dihydro-LTB4[r]	10	3.2793	0.50504	0.9898	-3.2793	0.54196	1	10.049	0.16076	0.63311	6	8.5663	0.20355	0.81349	4	5.3981	0.27438	0.83213
20-hydroxy-LTE4[p]	8	-3.2796	0.9652	0.99999	3.2796	0.066051	0.55043	9.6588	0.12374	0.5729	3	5.3425	0.37884	0.98993	5	8.0793	0.070482	0.57806
omega-COOH-dinor-LTE4-CoA[p]	10	-0.77829	0.88573	0.99999	0.77829	0.16937	0.81568	3.825	0.9167	0.98796	6	1.555	0.9705	0.99076	4	4.1433	0.45231	0.95692
16e-18-oxo-18-CoA-dinor-LTE4[p];(3Z)-dodecenoyl-CoA[p];(5Z)-dodecenoyl-CoA[p];cis,cis-3,6-dodecadienoyl-CoA[p]	5	0.95034	0.65735	0.99999	-0.95034	0.39341	1	2.7169	0.83693	0.9838	4	1.563	0.9273	0.99076	1	2.9492	0.34564	0.90068
omega-COOH-tetranor-LTE3-CoA[p]	6	1.1653	0.66409	0.99999	-1.1653	0.38728	1	2.3612	0.90624	0.98725	5	1.2676	0.96293	0.99076	1	2.9492	0.34564	0.90068
omega-COOH-tetranor-LTE3[p]	2	2.5334	0.37872	0.89804	-2.5334	0.62799	1	1.993	0.69636	0.97978	2	1.993	0.74747	0.99076	0	NA	NA	NA
(13E)-tetranor-16-oxo-16-CoA-LTE4[p]	8	0.075438	0.7989	0.99999	-0.075438	0.26204	0.90708	3.3505	0.89681	0.98725	5	1.851	0.94038	0.99076	3	3.0816	0.5323	0.9673
LTD4[c]	5	-1.9181	0.89302	0.99999	1.9181	0.15671	0.78847	4.9482	0.55333	0.9571	3	1.4506	0.88583	0.99076	2	6.0471	0.10237	0.61961
prostaglandin E1[c]	9	4.3132	0.36558	0.88311	-4.0019	0.63286	1	8.3833	0.30903	0.82908	6	7.2798	0.37055	0.98969	3	4.2252	0.3597	0.9117
leukotriene C4[r]	5	-1.4002	0.86248	0.99999	1.4002	0.19082	0.82355	4.4186	0.6313	0.97734	3	1.4506	0.88583	0.99076	2	5.2098	0.17101	0.6884
prostaglandin H2[c]	9	0.4817	0.78076	0.99999	-0.17035	0.25753	0.90708	11.858	0.033785	0.32689	4	9.3	0.059928	0.4325	5	7.5909	0.099254	0.61875
prostaglandin H2[r]	9	1.3129	0.70269	0.99999	-1.0016	0.33137	0.97846	11.002	0.066768	0.43646	4	9.3	0.059928	0.4325	5	6.4421	0.19839	0.74975
prostaglandin D2[r]	2	-5.8599	0.98443	0.99999	5.8599	0.035035	0.39811	5.6292	0.19188	0.67873	0	NA	NA	NA	2	5.6292	0.13362	0.65625
propanoyl-CoA[p]	21	12.605	0.011216	0.14963	-12.316	0.98306	1	15.345	0.045748	0.36518	16	15.72	0.021209	0.22492	5	3.328	0.6335	0.9673
O-butanoylcarnitine[c]	4	-0.19487	0.74822	0.99999	0.19487	0.30325	0.93688	4.4223	0.54902	0.9571	2	2.9632	0.61627	0.99076	2	3.2909	0.41236	0.94785
O-acetylcarnitine[c]	6	-0.34694	0.80631	0.99999	0.34694	0.24884	0.90708	3.1522	0.84581	0.9838	3	1.8029	0.85717	0.99076	3	2.6549	0.59689	0.9673
O-propanoylcarnitine[c];L-octanoylcarnitine[c]	5	-0.46052	0.79309	0.99999	0.46052	0.26328	0.90708	3.9306	0.69873	0.97978	2	2.9632	0.61627	0.99076	3	2.6549	0.59689	0.9673
malonyl-carnitin[c]	6	-1.2605	0.87089	0.99999	1.2605	0.18015	0.81747	4.3047	0.71989	0.97978	2	2.9632	0.61627	0.99076	4	3.1769	0.59861	0.9673
dodecanoylcarnitine[c];tridecanoylcarnitine[c];tetradecanoylcarnitine[c];tetradecenoylcarnitine(5)[c];tetradecenoylcarnitine(7)[c];tetradecenoylcarnitine(9)[c];pentadecanoylcarnitine[c];L-palmitoylcarnitine[c];hexadecenoylcarnitine(9)[c];palmitoleoyl-carnitine[c];heptadecanoylcarnitine[c];heptadecenoylcarnitine(7)[c];heptadecenoylcarnitine(8)[c];stearoylcarnitine[c];octadecenoylcarnitine(5)[c];octadecenoylcarnitine(7)[c];L-oleoylcarnitine[c];(9E)-octadecenoylcarnitine[c];octadecenoylcarnitine(11)[c];(6Z,9Z)-octadecadienoylcarnitine[c];nonadecanoylcarnitine[c];eicosanoylcarnitine[c];eicosenoylcarnitine(7)[c];eicosenoylcarnitine(9)[c];eicosenoylcarnitine(11)[c];(8Z,11Z)-eicosadienoylcarnitine[c];(5Z,8Z,11Z)-eicosatrienoylcarnitine[c];heneicosanoylcarnitine[c];docosanoylcarnitine[c];docosenoylcarnitine[c];docosenoylcarnitine(11)[c];octadecatrienoylcarnitine[c];(6Z,9Z,12Z,15Z)-octadecatetraenoylcarnitine[c];(8Z,11Z,14Z,17Z)-eicosatetraenoylcarnitine[c];(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoylcarnitine[c];(7Z,10Z,13Z,16Z,19Z)-docosapentaenoylcarnitine[c];docosahexaenoylcarnitine[c];(11Z,14Z,17Z)-eicosatrienoylcarnitine[c];13,16,19-docosatrienoylcarnitine[c];10,13,16,19-docosatetraenoylcarnitine[c];linoleic-carnitine[c];gamma-linolenoylcarnitine[c];eicosatrienoylcarnitine[c];arachidonyl-carnitine[c];ocosatetraenoylcarnitine[c];(4Z,7Z,10Z,13Z,16Z)-docosapentaenoylcarnitine[c];eicosadienoylcarnitine[c];(13Z,16Z)-docosadienoylcarnitine[c];10,13,16-docosatrienoylcarnitine[c]	7	-1.099	0.87214	0.99999	1.099	0.18336	0.81747	3.5818	0.84706	0.98461	3	1.8029	0.85717	0.99076	4	3.1769	0.59861	0.9673
12,15,18,21-tetracosatetraenoylcarnitine[c];tricosanoylcarnitine[c];tetracosanoylcarnitine[c];(15Z)-tetracosenoylcarnitine[c];hexacosanoylcarnitine[c];hexacosenoylcarnitine[c];(9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoylcarnitine[c];(9Z,12Z,15Z,18Z)-tetracosatetraenoylcarnitine[c];(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoylcarnitine[c];(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoylcarnitine[c]	4	1.6725	0.55141	0.99999	-1.6725	0.48487	1	2.2042	0.83279	0.9838	3	1.8029	0.85717	0.99076	1	1.2858	0.59427	0.9673
O-butanoylcarnitine[m]	3	0.30931	0.67376	0.99999	-0.30931	0.3682	1	3.8731	0.54108	0.9571	2	2.3618	0.70042	0.99076	1	3.3683	0.28868	0.84684
L-carnitine[m]	25	7.6103	0.24343	0.76414	-7.6129	0.79089	1	12.47	0.41395	0.88145	19	10.818	0.5885	0.99076	6	6.2046	0.28147	0.83795
L-octanoylcarnitine[m]	2	-2.4396	0.87516	0.99999	2.4396	0.17356	0.81747	1.4044	0.76979	0.97978	1	-1.3822	0.94057	0.99076	1	3.3683	0.28868	0.84684
octanoyl-CoA[m]	6	-0.32227	0.80433	0.99999	0.32227	0.25087	0.90708	0.71814	0.97379	0.98796	5	-0.75943	0.99502	0.99665	1	3.4572	0.27718	0.83213
O-acetylcarnitine[m];O-propanoylcarnitine[m]	4	-0.052139	0.73488	0.99999	0.052139	0.31611	0.96476	3.3264	0.70514	0.97978	2	2.3618	0.70042	0.99076	2	2.3424	0.55516	0.9673
malonyl-carnitin[m];dodecanoylcarnitine[m];tridecanoylcarnitine[m];tetradecanoylcarnitine[m];tetradecenoylcarnitine(5)[m];tetradecenoylcarnitine(7)[m];tetradecenoylcarnitine(9)[m];pentadecanoylcarnitine[m];L-palmitoylcarnitine[m];hexadecenoylcarnitine(9)[m];palmitoleoyl-carnitine[m];heptadecanoylcarnitine[m];heptadecenoylcarnitine(7)[m];heptadecenoylcarnitine(8)[m];stearoylcarnitine[m];octadecenoylcarnitine(5)[m];octadecenoylcarnitine(7)[m];L-oleoylcarnitine[m];(9E)-octadecenoylcarnitine[m];octadecenoylcarnitine(11)[m];(6Z,9Z)-octadecadienoylcarnitine[m];nonadecanoylcarnitine[m];eicosanoylcarnitine[m];eicosenoylcarnitine(7)[m];eicosenoylcarnitine(9)[m];eicosenoylcarnitine(11)[m];(8Z,11Z)-eicosadienoylcarnitine[m];(5Z,8Z,11Z)-eicosatrienoylcarnitine[m];heneicosanoylcarnitine[m];docosanoylcarnitine[m];docosenoylcarnitine[m];docosenoylcarnitine(11)[m];octadecatrienoylcarnitine[m];(6Z,9Z,12Z,15Z)-octadecatetraenoylcarnitine[m];(8Z,11Z,14Z,17Z)-eicosatetraenoylcarnitine[m];(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoylcarnitine[m];(7Z,10Z,13Z,16Z,19Z)-docosapentaenoylcarnitine[m];docosahexaenoylcarnitine[m];(11Z,14Z,17Z)-eicosatrienoylcarnitine[m];13,16,19-docosatrienoylcarnitine[m];10,13,16,19-docosatetraenoylcarnitine[m];linoleic-carnitine[m];gamma-linolenoylcarnitine[m];eicosatrienoylcarnitine[m];arachidonyl-carnitine[m];ocosatetraenoylcarnitine[m];(4Z,7Z,10Z,13Z,16Z)-docosapentaenoylcarnitine[m];eicosadienoylcarnitine[m];(13Z,16Z)-docosadienoylcarnitine[m];10,13,16-docosatrienoylcarnitine[m]	5	-0.96693	0.83274	0.99999	0.96693	0.22259	0.8664	3.7602	0.72089	0.97978	2	2.3618	0.70042	0.99076	3	2.926	0.55604	0.9673
(9E)-tetradecenoyl-CoA[m];(13Z)-octadecenoyl-CoA[m];(9E)-octadecenoyl-CoA[m];(7Z)-octadecenoyl-CoA[m];(6Z,9Z)-octadecadienoyl-CoA[m];9-eicosenoyl-CoA[m];(8Z,11Z)-eicosadienoyl-CoA[m];(5Z,8Z,11Z)-eicosatrienoyl-CoA[m];(11Z)-docosenoyl-CoA[m];linolenoyl-CoA[m];(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA[m];(8Z,11Z,14Z,17Z)-eicosatetraenoyl-CoA[m];(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-CoA[m];(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA[m];(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA[m];(11Z,14Z,17Z)-eicosatrienoyl-CoA[m];13,16,19-docosatrienoyl-CoA[m];10,13,16,19-docosatetraenoyl-CoA[m];(7Z,10Z,13Z,16Z)-docosatetraenoyl-CoA[m];(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA[m];(11Z,14Z)-eicosadienoyl-CoA[m];(13Z,16Z)-docosadienoyl-CoA[m];10,13,16-docosatrienoyl-CoA[m]	13	0.031021	0.85889	0.99999	3.5923	0.040355	0.4281	6.8753	0.73507	0.97978	9	3.5053	0.95349	0.99076	4	7.1366	0.10303	0.61961
(10Z)-heptadecenoyl-CoA[m];9-heptadecenoyl-CoA[m]	2	2.8925	0.33934	0.85825	-2.8925	0.66203	1	2.3618	0.64561	0.97967	2	2.3618	0.70042	0.99076	0	NA	NA	NA
malonyl-carnitin[p]	3	1.8274	0.50141	0.9894	-1.8274	0.52419	1	3.1618	0.64588	0.97967	2	2.9632	0.61627	0.99076	1	1.2858	0.59427	0.9673
L-carnitine[p]	8	0.84509	0.73027	0.99999	-0.84509	0.33077	0.97846	3.2757	0.90187	0.98725	5	2.0869	0.92867	0.99076	3	2.6549	0.59689	0.9673
L-octanoylcarnitine[p]	3	-2.3614	0.89183	0.99999	2.3614	0.1502	0.77416	1.1146	0.87584	0.98725	1	-1.3822	0.94057	0.99076	2	2.3424	0.55516	0.9673
octanoyl-CoA[p]	5	-0.27881	0.7776	0.99999	0.27881	0.27876	0.92274	0.70793	0.95953	0.98796	4	-0.6831	0.9901	0.99479	1	2.9492	0.34564	0.90068
O-propanoylcarnitine[p];malonyl-carnitin[r]	3	-0.61174	0.76466	0.99999	0.61174	0.28174	0.92566	3.6019	0.58179	0.97335	1	2.926	0.45009	0.99076	2	2.3424	0.55516	0.9673
O-acetylcarnitine[r];dodecanoylcarnitine[r];tridecanoylcarnitine[r];tetradecanoylcarnitine[r];tetradecenoylcarnitine(5)[r];tetradecenoylcarnitine(7)[r];tetradecenoylcarnitine(9)[r];pentadecanoylcarnitine[r];L-palmitoylcarnitine[r];hexadecenoylcarnitine(9)[r];palmitoleoyl-carnitine[r];heptadecanoylcarnitine[r];heptadecenoylcarnitine(7)[r];heptadecenoylcarnitine(8)[r];stearoylcarnitine[r];octadecenoylcarnitine(5)[r];octadecenoylcarnitine(7)[r];L-oleoylcarnitine[r];(9E)-octadecenoylcarnitine[r];octadecenoylcarnitine(11)[r];(6Z,9Z)-octadecadienoylcarnitine[r];nonadecanoylcarnitine[r];eicosanoylcarnitine[r];eicosenoylcarnitine(9)[r];eicosenoylcarnitine(11)[r];eicosenoylcarnitine(7)[r];(8Z,11Z)-eicosadienoylcarnitine[r];(5Z,8Z,11Z)-eicosatrienoylcarnitine[r];heneicosanoylcarnitine[r];docosanoylcarnitine[r];docosenoylcarnitine[r];docosenoylcarnitine(11)[r];octadecatrienoylcarnitine[r];(6Z,9Z,12Z,15Z)-octadecatetraenoylcarnitine[r];(8Z,11Z,14Z,17Z)-eicosatetraenoylcarnitine[r];(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoylcarnitine[r];(7Z,10Z,13Z,16Z,19Z)-docosapentaenoylcarnitine[r];docosahexaenoylcarnitine[r];(11Z,14Z,17Z)-eicosatrienoylcarnitine[r];13,16,19-docosatrienoylcarnitine[r];10,13,16,19-docosatetraenoylcarnitine[r];12,15,18,21-tetracosatetraenoylcarnitine[r];linoleic-carnitine[r];gamma-linolenoylcarnitine[r];eicosatrienoylcarnitine[r];arachidonyl-carnitine[r];ocosatetraenoylcarnitine[r];(4Z,7Z,10Z,13Z,16Z)-docosapentaenoylcarnitine[r];eicosadienoylcarnitine[r];(13Z,16Z)-docosadienoylcarnitine[r];10,13,16-docosatrienoylcarnitine[r];tricosanoylcarnitine[r];tetracosanoylcarnitine[r];(15Z)-tetracosenoylcarnitine[r];hexacosanoylcarnitine[r];hexacosenoylcarnitine[r];(9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoylcarnitine[r];(9Z,12Z,15Z,18Z)-tetracosatetraenoylcarnitine[r];(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoylcarnitine[r];(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoylcarnitine[r]	2	2.3442	0.40001	0.91859	-2.3442	0.60963	1	1.3139	0.78012	0.97978	2	1.3139	0.82282	0.99076	0	NA	NA	NA
L-carnitine[r]	4	-0.43982	0.77025	0.99999	0.43982	0.28175	0.92566	2.5854	0.79405	0.97978	2	1.3139	0.82282	0.99076	2	2.3424	0.55516	0.9673
(7Z)-octadecenoyl-CoA[r];10,13,16,19-docosatetraenoyl-CoA[r];12,15,18,21-tetracosatetraenoyl-CoA[r];10,13,16-docosatrienoyl-CoA[r]	2	4.3194	0.20237	0.69596	-4.3194	0.78274	1	4.0161	0.39875	0.87507	2	4.0161	0.45747	0.99076	0	NA	NA	NA
chylomicron[s];TAG-chylomicron pool[s];VLDL[s];TAG-VLDL pool[s]	7	-5.5843	0.99281	0.99999	10.522	0.00042376	0.020729	12.088	0.013287	0.22554	3	4.6206	0.48889	0.99076	4	11.99	0.00090356	0.079191
chylomicron remnant[s];VLDL remnant[s]	8	-7.1599	0.99838	0.99999	11.779	0.00010499	0.007704	13.2	0.005953	0.14763	3	4.6206	0.48889	0.99076	5	13.118	0.00034298	0.044463
1,2-diacylglycerol-chylomicron pool[s];fatty acid-chylomicron pool[s]	11	-1.9057	0.93958	0.99999	1.9057	0.10805	0.70084	4.1469	0.91878	0.98796	6	1.1184	0.98018	0.99076	5	4.9257	0.3941	0.92837
1-acylglycerol-chylomicron pool[s];fatty acid-LD-TG3 pool[c]	10	0.52841	0.79402	0.99999	-0.52841	0.26939	0.90708	1.8502	0.98368	0.98987	6	1.1184	0.98018	0.99076	4	1.5556	0.80777	0.9673
1-acylglycerol-chylomicron pool[c];1-acylglycerol-VLDL pool[c]	3	-2.5795	0.90329	0.99999	2.5795	0.13727	0.75377	5.5513	0.29584	0.8133	1	2.6466	0.49357	0.99076	2	4.9275	0.19963	0.74975
fatty acid-LD-TG1 pool[c]	15	-0.48124	0.90879	0.99999	3.8543	0.028763	0.3567	10.959	0.24275	0.75796	8	5.9793	0.7174	0.99076	7	9.6499	0.041479	0.43814
sn-glycerol-3-phosphate[m]	9	4.7748	0.31621	0.84899	-4.7748	0.70514	1	4.5857	0.83001	0.9838	7	4.8767	0.78659	0.99076	2	0.60425	0.7878	0.9673
1,2-diacylglycerol-LD-TAG pool[c]	58	3.5464	0.9023	0.99999	-1.831	0.099493	0.67648	15.938	0.78619	0.97978	33	12.32	0.8589	0.99076	25	10.122	0.41541	0.94785
phosphatidate-LD-TAG pool[c]	28	7.6786	0.27108	0.80162	-7.6785	0.77069	1	13.341	0.37654	0.85827	19	12.582	0.32031	0.93663	9	5.251	0.58117	0.9673
TAG-LD pool[c]	22	2.3636	0.77483	0.99999	0.42164	0.11563	0.71797	9.673	0.70839	0.97978	14	6.2203	0.91784	0.99076	8	7.8122	0.18007	0.70146
1-acylglycerol-LD-TG1 pool[c];1-acylglycerol-LD-PI pool[c];1-acylglycerol-LD-PC pool[c];1-acylglycerol-LD-PE pool[c];1-acylglycerol-LD-PS pool[c];1-acylglycerol-LD-SM pool[c]	14	0.16452	0.86609	0.99999	-0.16452	0.20212	0.83405	4.9936	0.9309	0.98796	8	3.0422	0.95696	0.99076	6	4.115	0.58807	0.9673
fatty acid-LD-TG2 pool[c]	27	-3.245	0.9943	0.99999	3.245	0.021006	0.29832	10.682	0.72856	0.97978	12	5.7147	0.90588	0.99076	15	9.2206	0.24732	0.81457
1,2-diacylglycerol-LD-PI pool[c]	36	2.9567	0.83739	0.99999	-2.9567	0.26332	0.90708	10.64	0.91205	0.98725	21	8.6986	0.9026	0.99076	15	6.1913	0.68181	0.9673
fatty acid-LD-PI pool[c];fatty acid-LD-PS pool[c]	13	-0.77571	0.90492	0.99999	0.77571	0.15366	0.78663	4.2894	0.94619	0.98796	7	2.0357	0.9704	0.99076	6	4.115	0.58807	0.9673
1,2-diacylglycerol-LD-PC pool[c]	23	3.8353	0.64214	0.99999	-3.8353	0.44781	1	8.7559	0.8385	0.9838	14	7.6845	0.79502	0.99076	9	4.413	0.70016	0.9673
fatty acid-LD-PC pool[c];fatty acid-LD-PE pool[c]	39	-3.9379	0.99884	0.99999	6.0298	0.0014651	0.046909	14.244	0.57954	0.97335	17	8.0974	0.85409	0.99076	22	11.847	0.13074	0.65625
1,2-diacylglycerol-LD-PE pool[c];1,2-diacylglycerol-LD-PS pool[c]	23	6.0226	0.3951	0.91149	-6.0234	0.66386	1	9.8892	0.71118	0.97978	15	9.4368	0.61891	0.99076	8	3.8462	0.72799	0.9673
1,2-diacylglycerol-LD-SM pool[c]	21	5.0569	0.47173	0.97273	-5.0569	0.59318	1	8.2372	0.83595	0.9838	14	7.6845	0.79502	0.99076	7	3.3997	0.73679	0.9673
fatty acid-LD-SM pool[c]	16	0.1616	0.88281	0.99999	-0.1616	0.18516	0.81767	6.0726	0.90552	0.98725	9	3.7949	0.94153	0.99076	7	4.878	0.52933	0.9673
acyl-CoA-LD-TG2 pool[c]	14	3.0055	0.60935	0.99999	-3.0055	0.45984	1	10.986	0.21035	0.70828	9	8.49	0.40251	0.99076	5	6.9933	0.14509	0.65625
acylglycerone-phosphate[c]	2	5.1326	0.14188	0.58326	-5.1326	0.83858	1	4.8618	0.28139	0.79884	2	4.8618	0.33356	0.95436	0	NA	NA	NA
tetracosanoyl-CoA[p];(15Z)-tetracosenoyl-CoA[p]	5	1.098	0.64137	0.99999	-1.098	0.40808	1	2.6574	0.84244	0.9838	4	1.4965	0.93081	0.99076	1	2.9492	0.34564	0.90068
phytanoyl-CoA[p]	2	1.9296	0.44765	0.95207	-1.9296	0.56857	1	1.0323	0.81054	0.98376	1	2.6499	0.49305	0.99076	1	-1.19	0.88192	0.97155
2-hydroxyphytanoyl-CoA[p];2(S)-pristanal[p]	2	-1.9378	0.84226	0.99999	1.9378	0.20829	0.83934	0.81685	0.83195	0.9838	0	NA	NA	NA	2	0.81685	0.76364	0.9673
(2R,6S,10S)-pristanate[p]	10	0.2636	0.81546	0.99999	-0.2636	0.247	0.90708	6.9119	0.58144	0.97335	5	5.2138	0.59685	0.99076	5	4.5612	0.44848	0.95692
(2S)-pristanoyl-CoA[p]	12	2.216	0.66253	0.99999	-2.216	0.40667	1	8.0832	0.52157	0.95019	8	5.8731	0.73118	0.99076	4	5.6945	0.23792	0.81031
(2R)-pristanoyl-CoA[p]	2	5.392	0.12547	0.54825	-5.392	0.85422	1	5.1315	0.24779	0.76288	2	5.1315	0.29694	0.93225	0	NA	NA	NA
(2R,6R,10R)-trimethyl-hendecanoyl-CoA[p]	3	1.1979	0.57487	0.99999	-1.1979	0.45855	1	4.1721	0.49569	0.94215	2	3.0244	0.6073	0.99076	1	2.9492	0.34564	0.90068
(2S,6R,10R)-trimethyl-hendecanoyl-CoA[p];25(S)THCA-CoA[p];25(S)THCA-CoA[m]	3	3.8658	0.27546	0.80696	-3.8658	0.72379	1	2.8598	0.68768	0.97978	3	2.8598	0.74432	0.99076	0	NA	NA	NA
linoleoyl-CoA[p];(13Z)-eicosenoyl-CoA[p]	13	16.883	6.4361e-05	0.0043592	-16.515	0.9997	1	15.906	0.00258	0.094653	12	16.799	0.0013986	0.053365	1	-0.84501	0.85378	0.96952
decanoyl-CoA[m];undecanoyl-CoA[m];nonanoyl-CoA[m];heptanoyl-CoA[m]	5	-0.39989	0.78799	0.99999	0.39989	0.2684	0.90708	1.4048	0.93063	0.98796	4	-0.15796	0.98324	0.99076	1	3.4572	0.27718	0.83213
(2E)-decenoyl-CoA[m]	6	3.3685	0.41355	0.92484	-3.3685	0.6119	1	1.8702	0.93368	0.98796	6	1.8702	0.96131	0.99076	0	NA	NA	NA
(2E)-octenoyl-CoA[m];(2E)-undecenoyl-CoA[m];(2E)-nonenoyl-CoA[m];(2E)-heptenoyl-CoA[m]	4	2.7799	0.42434	0.9312	-2.7799	0.59678	1	1.4684	0.89336	0.98725	4	1.4684	0.93225	0.99076	0	NA	NA	NA
hexanoyl-CoA[m];pentanoyl-CoA[m]	4	-1.6773	0.86374	0.99999	1.6773	0.1857	0.81767	1.1836	0.91193	0.98725	2	-0.72502	0.95596	0.99076	2	2.3989	0.54667	0.9673
(2E)-hexenoyl-CoA[m];(2E)-pentenoyl-CoA[m]	3	1.7895	0.50586	0.9898	-1.7895	0.52023	1	1.2487	0.86505	0.98725	2	1.575	0.7957	0.99076	1	-0.064585	0.77474	0.9673
(5Z)-dodecenoyl-CoA[m];(3Z)-dodecenoyl-CoA[m];cis,cis-3,6-dodecadienoyl-CoA[m]	6	0.60386	0.72149	0.99999	-0.60386	0.33292	0.97875	2.1209	0.92057	0.98796	5	0.7772	0.97599	0.99076	1	3.4572	0.27718	0.83213
trans,cis-lauro-2,6-dienoyl-CoA[m]	5	3.5478	0.36199	0.88311	-3.5478	0.6545	1	2.2319	0.87824	0.98725	5	2.2319	0.92063	0.99076	0	NA	NA	NA
8(R)-hydroxy-hexadeca-(4E,6E,10Z)-trienoate[m];6(R)-hydroxy-tetradeca-(4E,8Z)-dienoate[m];8(S)-hydroxy-hexadeca-(4E,6E,10Z)-trienoate[m];6(S)-hydroxy-tetradeca-(4E,8Z)-dienoate[m]	5	-0.34603	0.78341	0.99999	0.34603	0.27298	0.91171	1.2424	0.93849	0.98796	4	-0.3396	0.98597	0.99211	1	3.4572	0.27718	0.83213
8(R)-hydroxy-hexadeca-(2E,6E,10Z)-trienoate[m];6(R)-hydroxy-tetradeca-(2E,8Z)-dienoate[m];8(S)-hydroxy-hexadeca-(2E,6E,10Z)-trienoate[m];6(S)-hydroxy-tetradeca-(2E,8Z)-dienoate[m]	4	3.7076	0.32316	0.85249	-3.7076	0.68511	1	3.8896	0.62757	0.97734	3	4.0424	0.57807	0.99076	1	0.77753	0.6674	0.9673
4(R)-hydroxy-dodec-(6Z)-enoate[m];4(S)-hydroxy-dodec-(6Z)-enoate[m]	3	-1.5704	0.8422	0.99999	1.5704	0.20367	0.83604	1.404	0.85178	0.98554	2	-0.72502	0.95596	0.99076	1	3.4572	0.27718	0.83213
4(R),8-dimethyl-nonanoyl-CoA[m]	2	-5.1836	0.97481	0.99999	14.421	3.2724e-05	0.0036017	6.5392	0.11169	0.54483	1	0.30677	0.81567	0.99076	1	8.9411	0.003607	0.13902
4(R),8-dimethyl-trans-2-nonenoyl-CoA[m];2,6-dimethyl-trans-2-heptenoyl-CoA[m];4-methyl-trans-2-pentenoyl-CoA[m]	4	-1.7984	0.87124	0.99999	8.3303	0.0047461	0.12113	5.7377	0.35339	0.85452	3	1.4631	0.88489	0.99076	1	8.9411	0.003607	0.13902
2(R),6-dimethyl-heptanoyl-CoA[m]	4	1.0147	0.62526	0.99999	-1.0147	0.41839	1	3.5196	0.67936	0.97978	3	2.068	0.83263	0.99076	1	3.4572	0.27718	0.83213
2(S),6-dimethyl-heptanoyl-CoA[m]	3	-1.4903	0.83644	0.99999	9.0328	0.0027049	0.076827	7.9993	0.070869	0.44571	2	3.4747	0.53988	0.99076	1	8.9411	0.003607	0.13902
4-methyl-pentanoyl-CoA[m]	5	-4.4948	0.97698	0.99999	10.337	0.00075424	0.029516	5.2233	0.51178	0.9497	3	-0.41486	0.97319	0.99076	2	8.7669	0.010696	0.26703
all-trans-decaprenyl-diphosphate[c]	2	1.0965	0.54498	0.99999	-1.0965	0.48426	1	1.108	0.80263	0.98237	1	1.7922	0.62476	0.99076	1	-0.22535	0.79275	0.9673
3-decaprenyl-4-hydroxybenzoate[m]	2	2.158	0.42126	0.9301	-2.158	0.59132	1	1.4769	0.76131	0.97978	2	1.4769	0.80617	0.99076	0	NA	NA	NA
3,4-dihydroxy-5-all-trans-decaprenylbenzoate[m]	2	2.6846	0.36196	0.88311	-2.6846	0.64246	1	2.2035	0.66777	0.97978	2	2.2035	0.72109	0.99076	0	NA	NA	NA
SAM[m];SAH[m]	2	1.5362	0.49358	0.98577	-1.5362	0.52891	1	0.80999	0.83261	0.9838	2	0.80999	0.86839	0.99076	0	NA	NA	NA
2-methoxy-6-all trans-decaprenyl-2-methoxy-1,4-benzoquinol[m]	2	2.2717	0.40825	0.91935	-2.2717	0.60253	1	1.6538	0.73994	0.97978	2	1.6538	0.78705	0.99076	0	NA	NA	NA
6-methoxy-3-methyl-2-all-trans-decaprenyl-1,4-benzoquinol[m]	2	-0.30494	0.70001	0.99999	0.30494	0.34588	1	0.67531	0.84514	0.9838	1	0.18403	0.82818	0.99076	1	0.771	0.66831	0.9673
3-demethylubiquinol-10[m]	2	0.10788	0.65661	0.99999	-0.10788	0.38541	1	1.225	0.79001	0.97978	1	0.96148	0.73986	0.99076	1	0.771	0.66831	0.9673
[protein]-L-cysteine[c]	5	0.23184	0.73073	0.99999	-0.23184	0.32448	0.97551	2.8264	0.82647	0.9838	2	2.782	0.64242	0.99076	3	1.3774	0.76951	0.9673
S-farnesyl-protein[c]	2	3.1821	0.30879	0.84569	-3.1821	0.68856	1	2.782	0.58451	0.97335	2	2.782	0.64242	0.99076	0	NA	NA	NA
3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-enoyl-CoA[m];3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-enoyl-CoA[p]	3	-1.6771	0.84964	0.99999	1.6771	0.19586	0.82529	2.9202	0.6795	0.97978	2	0.24476	0.90904	0.99076	1	4.7118	0.14217	0.65625
(24R,25R)3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestanoyl-CoA[m]	4	0.090196	0.72123	0.99999	-0.090196	0.32916	0.97846	3.8194	0.63761	0.97967	3	1.6899	0.86685	0.99076	1	4.7118	0.14217	0.65625
3alpha,7alpha,12alpha-trihydroxy-5beta-24-oxocholestanoyl-CoA[m]	6	1.0071	0.68074	0.99999	-1.0071	0.37168	1	1.7104	0.94112	0.98796	5	0.55476	0.98049	0.99076	1	2.9492	0.34564	0.90068
cholesterol-sulfate[c];pregnenolone sulfate[c];17alpha-hydroxypregnenolone sulfate[c]	2	-1.9606	0.84387	0.99999	1.9606	0.20662	0.83839	1.3096	0.78061	0.97978	1	-0.92644	0.91641	0.99076	1	2.7785	0.37	0.91745
cholesterol[c]	31	-5.1091	0.99936	0.99999	9.8018	6.083e-05	0.0055433	16.447	0.10394	0.52653	15	6.6588	0.9153	0.99076	16	16.446	0.00039671	0.047143
STAR[c];cholesterol-STAR[c]	7	-7.5034	0.99869	0.99999	12.441	6.3411e-05	0.0055433	9.6387	0.099524	0.52007	3	0.918	0.92098	0.99076	4	11.956	0.00094407	0.079191
cholesterol[m]	7	-2.8536	0.95047	0.99999	2.8536	0.087569	0.62686	7.2411	0.35548	0.85452	3	3.3478	0.67975	0.99076	4	6.6798	0.13791	0.65625
22beta-hydroxycholesterol[m]	4	-0.24971	0.75324	0.99999	0.24971	0.29837	0.93502	5.3477	0.40977	0.87893	2	3.6015	0.5206	0.99076	2	3.9613	0.31702	0.88096
isocaproic-aldehyde[c]	3	3.2135	0.34295	0.85908	-3.2132	0.66398	1	5.2939	0.33057	0.84735	1	7.9566	0.018177	0.22178	2	0.85756	0.75885	0.9673
20-hydroxycholesterol[c];17alpha,20alpha-dihydroxycholesterol[c]	2	-6.1299	0.98728	0.99999	6.1299	0.030038	0.36734	5.8489	0.16987	0.63972	0	NA	NA	NA	2	5.8489	0.11646	0.65625
17alpha-hydroxypregnenolone[c]	6	-6.02	0.99409	0.99999	6.02	0.015869	0.25638	5.186	0.59832	0.9765	1	-0.92644	0.91641	0.99076	5	6.0953	0.2373	0.81031
pregnenolone[c]	5	-3.4677	0.95498	0.99999	3.4677	0.079781	0.59531	5.6824	0.44239	0.9064	2	1.511	0.80256	0.99076	3	6.1022	0.13963	0.65625
cortisol[c]	4	-6.2016	0.99191	0.99999	6.2016	0.020188	0.28903	5.662	0.36413	0.85452	0	NA	NA	NA	4	5.662	0.2418	0.81031
17alpha-hydroxyprogesterone[c]	3	-5.6769	0.98652	0.99999	5.6769	0.028501	0.35596	5.198	0.34392	0.85452	0	NA	NA	NA	3	5.198	0.23152	0.81031
progesterone[c]	3	-1.6862	0.85027	0.99999	1.6862	0.19521	0.82529	7.4994	0.10048	0.52345	1	5.1985	0.15524	0.70024	2	5.5089	0.14372	0.65625
bilirubin-bisglucuronoside[r]	11	9.9591	0.028619	0.28287	-9.9591	0.96467	1	10.549	0.15385	0.61753	10	10.461	0.20557	0.81349	1	1.9063	0.50057	0.96722
estradiol-17beta[r]	40	4.1184	0.77184	0.99999	-4.1184	0.34003	0.98975	14.096	0.63779	0.97967	24	11.646	0.68404	0.99076	16	8.0243	0.44561	0.95692
estradiol-17beta 3-glucuronide[r]	12	6.8047	0.17863	0.65973	-6.8047	0.82758	1	10.031	0.24701	0.76266	10	8.9171	0.40809	0.99076	2	4.6308	0.2326	0.81031
17alpha-hydroxyprogesterone[r]	3	-5.6769	0.98652	0.99999	5.6769	0.028501	0.35596	5.198	0.34392	0.85452	0	NA	NA	NA	3	5.198	0.23152	0.81031
pregnenolone[r]	3	-4.6318	0.97158	0.99999	4.6318	0.051573	0.49359	3.9632	0.52743	0.95019	1	-0.92644	0.91641	0.99076	2	5.5089	0.14372	0.65625
progesterone[r]	2	-5.8311	0.98409	0.99999	5.8311	0.035607	0.39811	5.5089	0.20463	0.70054	0	NA	NA	NA	2	5.5089	0.14372	0.65625
17alpha-hydroxypregnenolone[r]	3	-5.6769	0.98652	0.99999	5.6769	0.028501	0.35596	5.198	0.34392	0.85452	0	NA	NA	NA	3	5.198	0.23152	0.81031
dehydroepiandrosterone[r]	4	-4.8044	0.9773	0.99999	4.8044	0.04524	0.4605	4.0384	0.60601	0.97734	1	-0.92644	0.91641	0.99076	3	5.198	0.23152	0.81031
4-androstene-3,17-dione[r]	35	0.96977	0.93807	0.99999	-0.92466	0.12535	0.73336	14.437	0.43522	0.90068	17	11.209	0.43859	0.99076	18	9.2382	0.32929	0.89608
estrone[r]	33	1.3163	0.91594	0.99999	-1.3163	0.16327	0.80764	11.678	0.77092	0.97978	18	8.6957	0.8267	0.99076	15	7.7953	0.44465	0.95692
formate[r]	23	-0.31011	0.94046	0.99999	0.31011	0.11876	0.71797	10.365	0.64644	0.97967	12	6.9284	0.80078	0.99076	11	7.7513	0.29994	0.85543
testosterone[r]	34	3.9363	0.74411	0.99999	-3.8905	0.35864	1	14.307	0.41391	0.88145	19	12.213	0.3736	0.98993	15	7.7953	0.44465	0.95692
cortisone[r]	2	1.2023	0.53264	0.99999	-1.2023	0.49501	1	4.5498	0.3228	0.83965	1	4.1138	0.2776	0.91049	1	2.3207	0.43765	0.95692
cortisol[r]	4	-3.2072	0.93815	0.99999	3.2072	0.099437	0.67648	7.0353	0.19247	0.67873	1	4.1138	0.2776	0.91049	3	5.7486	0.17211	0.6884
cholesterol[r]	5	0.59893	0.69422	0.99999	-0.59893	0.35912	1	3.7473	0.72254	0.97978	3	2.5106	0.78598	0.99076	2	2.8502	0.47843	0.9652
testosterone glucuronide[r];androsterone-glucuronide[r]	2	5.2201	0.13619	0.57317	-5.2201	0.84397	1	4.9633	0.2685	0.78466	2	4.9633	0.31957	0.93608	0	NA	NA	NA
androsterone[r]	4	6.9491	0.081407	0.45289	-6.9491	0.90496	1	6.4717	0.25629	0.77413	4	6.4717	0.32471	0.94139	0	NA	NA	NA
16alpha-hydroxydehydroepiandrosterone[r]	2	-0.37322	0.70694	0.99999	0.37322	0.33949	0.98975	1.4798	0.76097	0.97978	1	0.72571	0.76887	0.99076	1	1.367	0.58219	0.9673
5alpha-androstane-3,17-dione[r]	4	9.9543	0.011783	0.15485	-9.8209	0.97953	1	11.349	0.0060987	0.14763	3	12.315	0.0012659	0.052729	1	1.367	0.58219	0.9673
5-alpha-dihydrotestosterone[c]	5	6.4407	0.1155	0.53515	-6.3214	0.86665	1	7.1951	0.23585	0.74938	3	8.7789	0.050024	0.38045	2	0.62454	0.78555	0.9673
5alpha-dihydrotestosterone-sulfate[c]	2	-0.12787	0.68169	0.99999	0.12787	0.36266	1	-0.99716	0.95082	0.98796	1	-0.92644	0.91641	0.99076	1	-0.48376	0.81983	0.96952
testosterone[c]	34	3.2911	0.80095	0.99999	-3.2454	0.2984	0.93502	13.682	0.50838	0.9497	18	11.802	0.39694	0.99076	16	7.4268	0.53649	0.9673
estriol[r];16-glucuronide-estriol[r];5alpha-dihydrotestosterone-glucuronide[r]	2	1.3082	0.52028	0.99999	-1.3082	0.50576	1	4.0898	0.38795	0.86589	1	3.8775	0.30939	0.9323	1	1.9063	0.50057	0.96722
5-alpha-dihydrotestosterone[r]	5	7.349	0.071738	0.42535	-7.2296	0.91057	1	10.412	0.026056	0.30818	3	11.552	0.0032347	0.0844	2	2.3146	0.55934	0.9673
dehydroepiandrosterone[c]	5	-4.547	0.9778	0.99999	4.547	0.046083	0.46639	3.5257	0.75003	0.97978	1	-0.92644	0.91641	0.99076	4	4.4051	0.41297	0.94785
acetate[r]	3	-4.5232	0.96943	0.99999	4.5232	0.054648	0.50575	3.9644	0.52725	0.95019	1	-0.76971	0.90658	0.99076	2	5.3996	0.15333	0.66304
dehydroepiandrosterone sulfate[c]	5	-2.1391	0.90444	0.99999	2.1391	0.14346	0.75377	4.6919	0.59153	0.9749	2	1.9325	0.75481	0.99076	3	4.4793	0.32379	0.888
4-androstene-3,17-dione[c]	35	-1.2191	0.98532	0.99999	1.2191	0.044224	0.45812	12.362	0.73841	0.97978	16	8.4854	0.77984	0.99076	19	8.9916	0.40644	0.94135
5alpha-androstane-3,17-dione[c];7alpha,12alpha-dihydroxy-5beta-cholestan-3-one[c];7alpha-hydroxy-5beta-cholestan-3-one[c]	2	3.2893	0.29778	0.8365	-3.2893	0.69816	1	3.6754	0.44954	0.90993	1	5.1985	0.15524	0.70024	1	-0.0007165	0.76735	0.9673
androsterone[c]	2	3.9242	0.23663	0.75506	-3.9242	0.75201	1	3.0208	0.54875	0.9571	2	3.0208	0.60783	0.99076	0	NA	NA	NA
(R)-mevalonate[c]	2	-3.1949	0.9151	0.99999	3.1949	0.12869	0.74481	2.7524	0.5889	0.9749	0	NA	NA	NA	2	2.7524	0.49323	0.96722
(R)-5-phosphomevalonate[c]	2	0.0041712	0.66774	0.99999	-0.0041712	0.37535	1	1.364	0.77443	0.97978	1	0.96814	0.73902	0.99076	1	0.96089	0.64158	0.9673
(R)-5-diphosphomevalonate[c]	2	0.21266	0.64523	0.99999	-0.21266	0.39565	1	1.0991	0.80357	0.98237	1	0.96814	0.73902	0.99076	1	0.58617	0.69353	0.9673
squalene[c]	2	-0.97968	0.76501	0.99999	0.97968	0.2849	0.92911	-0.84793	0.94476	0.98796	0	NA	NA	NA	2	-0.84793	0.91153	0.97296
squalene 2,3-oxide[c]	2	-4.0979	0.94928	0.99999	4.0979	0.086502	0.62175	2.4836	0.6282	0.97734	0	NA	NA	NA	2	2.4836	0.53391	0.9673
lanosterol[c]	3	-9.1043	0.99936	0.99999	9.1043	0.0025529	0.075644	8.8778	0.035603	0.33405	0	NA	NA	NA	3	8.8778	0.01575	0.30306
4,4-dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol[c];4,4-dimethyl-5alpha-cholesta-8,14-dien-3-beta-ol[c]	3	1.0337	0.59372	0.99999	-1.0337	0.44154	1	5.5657	0.29394	0.81208	2	3.8168	0.48779	0.99076	1	4.2423	0.1864	0.72035
14-demethyllanosterol[c];4,4-dimethyl-5alpha-cholesta-8-en-3-beta-ol[c]	4	-1.6302	0.86075	0.99999	1.6302	0.18894	0.82355	7.2714	0.16891	0.63972	2	3.8168	0.48779	0.99076	2	6.4666	0.076727	0.57891
4alpha-hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol[c];4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol[c];4alpha-hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-ol[c];4alpha-formyl-5alpha-cholesta-8,24-dien-3beta-ol[c];4alpha-hydroxymethyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol[c];4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol[c];4alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol[c];4alpha-formyl-5alpha-cholesta-8-en-3beta-ol[c]	2	-6.6794	0.99171	0.99999	6.6794	0.021682	0.30064	6.4666	0.11704	0.55404	0	NA	NA	NA	2	6.4666	0.076727	0.57891
4alpha-carboxy-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol[c]	4	-0.92605	0.81062	0.99999	0.92605	0.24137	0.90054	8.1869	0.09577	0.51575	2	5.1115	0.2996	0.93225	2	6.4666	0.076727	0.57891
3-keto-4-methylzymosterol[c]	3	5.0715	0.17075	0.6476	-5.0715	0.8185	1	4.5925	0.4321	0.89838	3	4.5925	0.49324	0.99076	0	NA	NA	NA
4alpha-methylzymosterol[c];4alpha-methyl-cholesta-8-enol[c]	3	-4.7666	0.97406	0.99999	4.7666	0.047951	0.48059	5.6989	0.2767	0.7962	1	0.72571	0.76887	0.99076	2	6.4666	0.076727	0.57891
4alpha-carboxy-5alpha-cholesta-8,24-dien-3beta-ol[c];4alpha-carboxy-4beta-methyl-5alpha-cholesta-8-en-3beta-ol[c];4alpha-carboxy-5alpha-cholesta-8-en-3beta-ol[c]	3	-3.7318	0.94946	0.99999	3.7318	0.081621	0.60373	6.8753	0.14893	0.61319	1	2.7633	0.47536	0.99076	2	6.4666	0.076727	0.57891
5alpha-cholesta-8,24-dien-3-one[c];4alpha-methyl-5alpha-cholesta-8-en-3-one[c];5alpha-cholesta-8-en-3-one[c]	2	2.9503	0.33314	0.85656	-2.9503	0.6674	1	2.4671	0.63057	0.97734	2	2.4671	0.68627	0.99076	0	NA	NA	NA
zymosterol[c];cholestenol[c]	3	-2.272	0.88686	0.99999	2.272	0.15572	0.78847	3.3803	0.61445	0.97734	2	0.26714	0.90763	0.99076	1	5.4771	0.086424	0.6069
5alpha-cholesta-7,24-dien-3beta-ol[c];lathosterol[c]	3	-2.4902	0.89871	0.99999	2.4902	0.14247	0.75377	3.0828	0.65701	0.97978	2	-0.097278	0.92862	0.99076	1	5.4771	0.086424	0.6069
7-dehydrodesmosterol[c]	2	0.94191	0.56292	0.99999	-0.94191	0.46858	1	-0.036142	0.90092	0.98725	2	-0.036142	0.92538	0.99076	0	NA	NA	NA
desmosterol[c]	2	-3.5912	0.93178	0.99999	3.5912	0.10869	0.70084	3.688	0.44763	0.90843	1	-0.26146	0.86891	0.99076	1	5.4771	0.086424	0.6069
provitamin D3[c]	3	-3.0301	0.92409	0.99999	3.0301	0.11302	0.7122	3.7097	0.56568	0.96389	2	-0.036142	0.92538	0.99076	1	6.4766	0.04049	0.43412
24,25-dihydrolanosterol[c]	2	-7.0667	0.99396	0.99999	7.0667	0.017051	0.26386	6.8727	0.089377	0.50125	0	NA	NA	NA	2	6.8727	0.056864	0.51649
geranyl-PP[c]	3	2.0954	0.46997	0.97138	-2.0954	0.55204	1	1.6907	0.82507	0.9838	2	2.3473	0.70233	0.99076	1	-0.39131	0.81041	0.9673
estradiol-17beta[c]	31	0.59171	0.94038	0.99999	-0.59171	0.12255	0.72528	11.519	0.73316	0.97978	16	8.4854	0.77984	0.99076	15	7.7953	0.44465	0.95692
estrone[c]	35	2.1023	0.88642	0.99999	-2.1023	0.1994	0.83212	12.204	0.75786	0.97978	19	9.6821	0.74802	0.99076	16	7.4995	0.52544	0.9673
estrone 3-sulfate[c]	10	1.7362	0.67931	0.99999	-1.7362	0.38265	1	7.4867	0.49454	0.94215	6	5.7389	0.60517	0.99076	4	4.8088	0.35409	0.91
2-hydroxyestradiol-17beta[c]	28	1.3481	0.89567	0.99999	-1.3481	0.1828	0.81747	9.741	0.85553	0.98634	16	7.1114	0.90382	0.99076	12	6.6681	0.49678	0.96722
4-hydroxy-17beta-estradiol[c];4-hydroxyestrone[c];2-hydroxyestrone[c];2-hydroxyestrone[r]	5	-0.3867	0.78687	0.99999	0.3867	0.26952	0.90708	1.4814	0.92667	0.98796	3	0.33823	0.9492	0.99076	2	1.928	0.61642	0.9673
H+[l]	15	0.42551	0.85716	0.99999	-0.42551	0.21373	0.84962	1.5847	0.99818	0.99818	9	0.95579	0.99615	0.99665	6	1.335	0.90118	0.97155
4-hydroxyestrone[l];4-hydroxyestrone[r];2-hydroxyestrone[l]	3	1.5153	0.53799	0.99999	-1.5153	0.49162	1	0.33823	0.92651	0.98796	3	0.33823	0.9492	0.99076	0	NA	NA	NA
estrone-2,3-semiquinone[c];H2O2[l];estrone-2,3-semiquinone[l];estrone-2,3-semiquinone[r];estrone-3,4-semiquinone[c];estrone-3,4-semiquinone[l];estrone-3,4-semiquinone[r];17beta-estradiol-3,4-semiquinone[c];17beta-estradiol-3,4-semiquinone[l];4-hydroxy-17beta-estradiol[l];17beta-estradiol-2,3-semiquinone[c];17beta-estradiol-2,3-semiquinone[l];2-hydroxyestradiol-17beta[l];methanol[l];formaldehyde[l]	3	1.5153	0.53799	0.99999	-1.5153	0.49162	1	0.33823	0.92651	0.98796	3	0.33823	0.9492	0.99076	0	NA	NA	NA
cholesterol-ester-laur[l];lauric acid[l];cholesterol-ester-tridec[l];tridecylic acid[l];cholesterol-ester-myrist[l];myristic acid[l];cholesterol-ester-9-tetrade[l];(9E)-tetradecenoic acid[l];cholesterol-ester-7-tetrade[l];(7Z)-tetradecenoic acid[l];cholesterol-ester-5-tetra[l];physeteric acid[l];cholesterol-ester-penta[l];pentadecylic acid[l];cholesterol-ester-palm[l];palmitate[l];cholesterol-ester-7-hexa[l];7-palmitoleic acid[l];cholesterol-ester-palmn[l];palmitolate[l];cholesterol-ester-hepta[l];margaric acid[l];cholesterol-ester-10-hepta[l];(10Z)-heptadecenoic acid[l];cholesterol-ester-9-heptade[l];9-heptadecylenic acid[l];cholesterol-ester-stea[l];stearate[l];cholesterol-ester-ol[l];oleate[l];cholesterol-ester-13-octade[l];(13Z)-octadecenoic acid[l];cholesterol-ester-cis-vac[l];cis-vaccenic acid[l];cholesterol-ester-9-octa[l];elaidate[l];cholesterol-ester-7-octade[l];(7Z)-octadecenoic acid[l];cholesterol-ester-6,9-octa[l];(6Z,9Z)-octadecadienoic acid[l];cholesterol-ester-nanode[l];nonadecylic acid[l];cholesterol-ester-eico[l];eicosanoate[l];cholesterol-ester-13-eicose[l];(13Z)-eicosenoic acid[l];cholesterol-ester-11-eico[l];cis-gondoic acid[l];cholesterol-ester-9-eicose[l];9-eicosenoic acid[l];cholesterol-ester-8,11-eico[l];8,11-eicosadienoic acid[l];cholesterol-ester-5,8,11-eico[l];mead acid[l];cholesterol-ester-heneico[l];henicosanoic acid[l];cholesterol-ester-docosa[l];behenic acid[l];cholesterol-ester-13-docose[l];cis-erucic acid[l];cholesterol-ester-11-docose[l];cis-cetoleic acid[l];cholesterol-ester-trico[l];tricosanoic acid[l];cholesterol-ester-tetraco[l];lignocerate[l];cholesterol-ester-15-tetra[l];nervonic acid[l];cholesterol-ester-hexacosa[l];cerotic acid[l];cholesterol-ester-hexecose[l];ximenic acid[l];cholesterol-ester-linolen[l];linolenate[l];cholesterol-ester-6,9,12,15-octa[l];stearidonic acid[l];cholesterol-ester-8,11,14,17-eico[l];omega-3-arachidonic acid[l];cholesterol-ester-5,8,11,14,17-eico[l];EPA[l];cholesterol-ester-7,10,13,16,19-docosa[l];DPA[l];cholesterol-ester-9,12,15,18,21-tetra[l];(9Z,12Z,15Z,18Z,21Z)-TPA[l];cholesterol-ester-6,9,12,15,18,21-tetra[l];(6Z,9Z,12Z,15Z,18Z,21Z)-THA[l];cholesterol-ester-4,7,10,13,16,19-doco[l];DHA[l];cholesterol-ester-11,14,17-eico[l];(11Z,14Z,17Z)-eicosatrienoic acid[l];cholesterol-ester-13,16,19-doco[l];13,16,19-docosatrienoic acid[l];cholesterol-ester-10,13,16,19-docosa[l];10,13,16,19-docosatetraenoic acid[l];cholesterol-ester-12,15,18,21-tetracosa[l];12,15,18,21-tetracosatetraenoic acid[l];cholesterol-ester-lin[l];linoleate[l];cholesterol-ester-gamma-lin[l];gamma-linolenate[l];cholesterol-ester-dihomo-gamma[l];dihomo-gamma-linolenate[l];cholesterol-ester-arach[l];arachidonate[l];cholesterol-ester-7,10,13,16-docosa[l];adrenic acid[l];cholesterol-ester-9,12,15,18-tetraco[l];(9Z,12Z,15Z,18Z)-TTA[l];cholesterol-ester-6,9,12,15,18-tetraco[l];(6Z,9Z,12Z,15Z,18Z)-TPA[l];cholesterol-ester-4,7,10,13,16-docosa[l];(4Z,7Z,10Z,13Z,16Z)-DPA[l];cholesterol-ester-11,14-eicosa[l];(11Z,14Z)-eicosadienoic acid[l];cholesterol-ester-13,16-docosa[l];(13Z,16Z)-docosadienoic acid[l];cholesterol-ester-10,13,16-docosa[l];10,13,16-docosatriynoic acid[l];(7Z)-octadecenoic acid[r];10,13,16,19-docosatetraenoic acid[r];12,15,18,21-tetracosatetraenoic acid[r];10,13,16-docosatriynoic acid[r];lipoyllysine[c]	2	-0.15098	0.68411	0.99999	0.15098	0.36046	1	3.7273	0.44173	0.9064	1	2.5212	0.51312	0.99076	1	2.7499	0.37412	0.91745
cholesterol[l]	5	1.8962	0.55135	0.99999	-1.8962	0.48914	1	5.4652	0.47514	0.92557	3	4.674	0.48062	0.99076	2	2.9168	0.46836	0.9622
cholesterol-ester-laur[r];cholesterol-ester-tridec[r];cholesterol-ester-myrist[r];cholesterol-ester-9-tetrade[r];cholesterol-ester-7-tetrade[r];cholesterol-ester-5-tetra[r];cholesterol-ester-penta[r];cholesterol-ester-palm[r];cholesterol-ester-7-hexa[r];cholesterol-ester-palmn[r];cholesterol-ester-hepta[r];cholesterol-ester-10-hepta[r];cholesterol-ester-9-heptade[r];cholesterol-ester-stea[r];cholesterol-ester-13-octade[r];cholesterol-ester-cis-vac[r];cholesterol-ester-ol[r];cholesterol-ester-9-octa[r];cholesterol-ester-7-octade[r];cholesterol-ester-6,9-octa[r];cholesterol-ester-nanode[r];cholesterol-ester-eico[r];cholesterol-ester-13-eicose[r];cholesterol-ester-11-eico[r];cholesterol-ester-9-eicose[r];cholesterol-ester-8,11-eico[r];cholesterol-ester-5,8,11-eico[r];cholesterol-ester-heneico[r];cholesterol-ester-docosa[r];cholesterol-ester-13-docose[r];cholesterol-ester-11-docose[r];cholesterol-ester-trico[r];cholesterol-ester-tetraco[r];cholesterol-ester-15-tetra[r];cholesterol-ester-hexacosa[r];cholesterol-ester-hexecose[r];cholesterol-ester-linolen[r];cholesterol-ester-6,9,12,15-octa[r];cholesterol-ester-8,11,14,17-eico[r];cholesterol-ester-5,8,11,14,17-eico[r];cholesterol-ester-7,10,13,16,19-docosa[r];cholesterol-ester-9,12,15,18,21-tetra[r];cholesterol-ester-6,9,12,15,18,21-tetra[r];cholesterol-ester-4,7,10,13,16,19-doco[r];cholesterol-ester-11,14,17-eico[r];cholesterol-ester-13,16,19-doco[r];cholesterol-ester-10,13,16,19-docosa[r];cholesterol-ester-12,15,18,21-tetracosa[r];cholesterol-ester-lin[r];cholesterol-ester-gamma-lin[r];cholesterol-ester-dihomo-gamma[r];cholesterol-ester-arach[r];cholesterol-ester-7,10,13,16-docosa[r];cholesterol-ester-9,12,15,18-tetraco[r];cholesterol-ester-6,9,12,15,18-tetraco[r];cholesterol-ester-4,7,10,13,16-docosa[r];cholesterol-ester-11,14-eicosa[r];cholesterol-ester-13,16-docosa[r];cholesterol-ester-10,13,16-docosa[r]	3	1.5933	0.52887	0.99999	-1.5933	0.49976	1	4.6331	0.42603	0.89176	2	3.7299	0.50104	0.99076	1	2.7499	0.37412	0.91745
dihydroceramide pool[c]	10	5.1031	0.30052	0.83736	-5.1032	0.71996	1	8.3623	0.36403	0.85452	7	7.8418	0.36503	0.98624	3	3.2889	0.50049	0.96722
phytoceramide pool[c]	4	2.3808	0.46992	0.97138	-2.3808	0.55688	1	4.8562	0.48344	0.93172	3	3.9758	0.58818	0.99076	1	2.8261	0.36315	0.9117
phytosphingosine[c]	3	1.988	0.48256	0.98241	-1.988	0.5409	1	5.0949	0.35849	0.85452	2	4.2416	0.42347	0.99076	1	2.8261	0.36315	0.9117
ceramide pool[g]	7	1.8075	0.61299	0.99999	-1.7148	0.43024	1	10.749	0.043878	0.35773	4	8.2247	0.1278	0.62516	3	6.9223	0.081095	0.60429
CoA[g]	4	3.2728	0.36947	0.88865	-3.2728	0.64467	1	5.8579	0.33658	0.84884	3	5.1324	0.41027	0.99076	1	2.8261	0.36315	0.9117
acyl-CoA-LD-SM pool[g];sphingosine[g]	3	1.988	0.48256	0.98241	-1.988	0.5409	1	5.0949	0.35849	0.85452	2	4.2416	0.42347	0.99076	1	2.8261	0.36315	0.9117
PC-LD pool[g]	6	-2.3049	0.92435	0.99999	2.3049	0.11794	0.71797	4.1129	0.7438	0.97978	4	0.45541	0.97042	0.99076	2	6.4797	0.076013	0.57891
1,2-diacylglycerol-LD-TAG pool[g]	2	-6.6919	0.99179	0.99999	6.6919	0.021517	0.30064	6.4797	0.11606	0.55404	0	NA	NA	NA	2	6.4797	0.076013	0.57891
SM pool[g]	3	-4.1084	0.95998	0.99999	4.1084	0.067744	0.55509	6.4899	0.18562	0.66247	1	2.0772	0.58181	0.99076	2	6.4797	0.076013	0.57891
ceramide pool[c]	35	5.6832	0.56392	0.99999	-5.6418	0.52892	1	14.755	0.38737	0.86568	21	13.213	0.32704	0.94444	14	7.1477	0.50308	0.9673
PC-LD pool[c]	52	-3.5882	0.99948	0.99999	7.2115	0.00021183	0.013044	19.064	0.21548	0.72116	26	9.9703	0.90568	0.99076	26	16.99	0.002618	0.12444
SM pool[c]	17	-0.24738	0.90916	0.99999	3.4158	0.033012	0.3928	11.846	0.20707	0.70226	9	6.9023	0.6431	0.99076	8	9.9479	0.041405	0.43814
3-dehydrosphinganine[c]	4	-1.1263	0.82589	0.99999	1.1263	0.2257	0.87164	2.827	0.76695	0.97978	2	1.0535	0.84749	0.99076	2	2.9445	0.46418	0.96094
sphinganine[c]	18	5.252	0.40369	0.91859	-5.2521	0.64947	1	10.487	0.43171	0.89838	12	9.4849	0.44097	0.99076	6	4.7495	0.49176	0.96722
sphinganine-1-phosphate[c];sphingosine-1-phosphate[c]	10	5.4927	0.26195	0.79656	-5.2994	0.73698	1	8.3561	0.36492	0.85452	7	8.2169	0.31234	0.93291	3	2.7045	0.58949	0.9673
ethanolamine-phosphate[c]	10	2.7716	0.56424	0.99999	-2.5782	0.46886	1	10.638	0.11201	0.54491	5	9.6226	0.069975	0.46359	5	5.4219	0.32347	0.888
acyl-CoA-LD-SM pool[c]	14	6.0116	0.27389	0.8052	-6.0117	0.75017	1	12.214	0.10134	0.52345	11	9.7434	0.34923	0.97794	3	7.729	0.043784	0.44597
sphingosine[c]	18	6.2779	0.29343	0.83343	-6.278	0.74152	1	9.4212	0.59122	0.9749	12	9.6128	0.42146	0.99076	6	2.7235	0.77519	0.9673
ceramide-1P pool[c]	12	6.6342	0.19193	0.68384	-6.6341	0.81614	1	9.5207	0.31183	0.83201	9	9.0324	0.32402	0.94139	3	3.3968	0.48391	0.96647
glucosylceramide pool[c]	50	19.539	0.0002488	0.011888	-18.972	0.99933	1	20.594	0.070666	0.44571	39	22.376	0.0096232	0.17163	11	1.7738	0.95865	0.98432
glucosylceramide pool[r]	46	21.696	1.2494e-05	0.0012223	-21.105	0.99994	1	20.452	0.045988	0.36518	39	22.376	0.0096232	0.17163	7	-0.38735	0.98067	0.99321
UDP-galactose[r]	47	23.429	1.4162e-06	0.00041565	-22.808	0.99999	1	22.226	0.011067	0.20515	40	24.254	0.0018333	0.059795	7	-0.38735	0.98067	0.99321
LacCer pool[r];digalactosylceramide[c]	45	21.697	9.5779e-06	0.0011205	-21.099	0.99995	1	20.495	0.037669	0.33548	38	22.469	0.0081631	0.15556	7	-0.38735	0.98067	0.99321
glucosylceramide pool[s]	4	2.7423	0.4286	0.9312	-2.7423	0.59306	1	1.4042	0.89778	0.98725	2	3.7926	0.49147	0.99076	2	-1.8068	0.95677	0.98368
phosphocholine[c]	11	-2.8074	0.96514	0.99999	2.8074	0.071002	0.55736	6.111	0.74391	0.97978	3	3.9089	0.59826	0.99076	8	4.7721	0.59927	0.9673
glucosylceramide pool[g]	2	5.1888	0.1382	0.576	-3.7553	0.73819	1	9.0819	0.014407	0.22711	1	10.17	0.0015459	0.053507	1	2.6741	0.38514	0.92837
LacCer pool[g]	5	8.3113	0.040586	0.33713	-7.4045	0.91762	1	6.8152	0.28253	0.79884	4	8.2581	0.1251	0.62219	1	-1.277	0.88836	0.97155
globotriaosylceramide[g]	3	3.5277	0.30964	0.8467	-2.3572	0.57899	1	7.5543	0.096842	0.51734	2	6.3427	0.15957	0.71219	1	4.1144	0.19979	0.74975
globoside[g]	4	5.6327	0.155	0.61742	-4.6191	0.76268	1	9.4714	0.036431	0.33548	2	11.045	0.0026053	0.075946	2	2.3498	0.55406	0.9673
galactosylgloboside[g]	7	7.9978	0.063987	0.40467	-7.2281	0.89407	1	9.9595	0.079784	0.4637	4	12.136	0.003915	0.096229	3	1.1996	0.78978	0.9673
H+[g]	7	12.772	0.0017646	0.045697	-12.006	0.99348	1	12.255	0.011263	0.20661	7	12.255	0.020604	0.22492	0	NA	NA	NA
sialyl-galactosylgloboside[g]	5	-2.1594	0.90544	0.99999	2.1594	0.14228	0.75377	1.9751	0.89685	0.98725	1	0.68785	0.77335	0.99076	4	1.8643	0.77388	0.9673
GA2[g]	3	2.2964	0.44651	0.95078	-2.2962	0.57274	1	5.9162	0.24968	0.76735	1	7.5978	0.025432	0.24369	2	1.8734	0.62432	0.9673
GA1[g];GM1[g];GD1b[g]	4	-0.57237	0.78171	0.99999	0.57237	0.27042	0.90708	0.33169	0.95315	0.98796	1	0.68785	0.77335	0.99076	3	-0.014124	0.89849	0.97155
GM1b[g];GM1b[c]	7	-8.4184	0.99947	0.99999	8.4184	0.0026079	0.075644	8.1545	0.23617	0.74938	1	0.68785	0.77335	0.99076	6	8.5271	0.07094	0.57806
GD1alpha[g]	5	-11.108	0.99996	0.99999	11.108	0.00037417	0.01931	10.537	0.023326	0.28725	0	NA	NA	NA	5	10.537	0.0079739	0.23689
GT1aalpha[g];GQ1balpha[g]	2	-8.0628	0.99746	0.99999	8.0628	0.0088319	0.17998	7.8592	0.042686	0.34962	0	NA	NA	NA	2	7.8592	0.025216	0.35958
GM2alpha[g];GM1alpha[g]	2	4.9216	0.15625	0.61742	-3.4881	0.71557	1	9.3657	0.010891	0.20404	1	10.17	0.0015459	0.053507	1	3.0755	0.32802	0.89438
GD1a[g];GT1b[g]	4	-4.4188	0.97059	0.99999	4.4188	0.055429	0.50575	4.5643	0.52762	0.95019	1	0.68785	0.77335	0.99076	3	4.8733	0.27132	0.83213
GT1c[g]	2	-2.6231	0.88589	0.99999	2.6231	0.16183	0.8062	1.8734	0.7121	0.97978	0	NA	NA	NA	2	1.8734	0.62432	0.9673
GM3[g]	3	4.3239	0.23232	0.75068	-4.3237	0.76238	1	4.5019	0.44571	0.90661	2	5.336	0.27047	0.9052	1	0.25133	0.7369	0.9673
GD3[g];GD3[c];GT3[c]	3	5.7442	0.12524	0.54825	-5.744	0.86119	1	6.2009	0.21653	0.72116	2	7.4168	0.079744	0.49723	1	0.25133	0.7369	0.9673
GT3[g]	2	7.6293	0.035546	0.31016	-7.629	0.94787	1	7.4168	0.060352	0.42008	2	7.4168	0.079744	0.49723	0	NA	NA	NA
GM2[g];GD2[g];GT2[g];GT2[c]	2	5.1294	0.14209	0.58326	-5.1291	0.83836	1	5.0711	0.25513	0.77413	1	7.5978	0.025432	0.24369	1	-0.4262	0.814	0.9673
UDP[l];UDP-N-acetyl-D-galactosamine[l]	2	-2.5005	0.8788	0.99999	2.5005	0.1696	0.81568	2.9764	0.55543	0.9571	1	0.094958	0.83691	0.99076	1	4.1144	0.19979	0.74975
globoside[l]	5	-2.5053	0.92135	0.99999	2.5053	0.12322	0.72528	1.4921	0.9261	0.98796	2	-1.1702	0.96966	0.99076	3	2.8818	0.56277	0.9673
LacCer pool[l]	6	1.0043	0.68103	0.99999	-1.0043	0.37141	1	1.0045	0.96647	0.98796	4	0.79179	0.96046	0.99076	2	0.62011	0.78604	0.9673
D-galactosyl-N-acylsphingosine[g]	47	22.795	3.4019e-06	0.00066563	-22.174	0.99998	1	21.566	0.02076	0.27308	40	23.539	0.0042348	0.10085	7	-0.38735	0.98067	0.99321
PAPS[g]	28	7.0358	0.33724	0.85825	-7.0356	0.717	1	10.835	0.73975	0.97978	19	10.734	0.60118	0.99076	9	3.515	0.80723	0.9673
PAP[g]	27	5.7536	0.46594	0.97124	-5.7533	0.60743	1	9.6406	0.84304	0.9838	18	9.3218	0.75769	0.99076	9	3.515	0.80723	0.9673
D-galactosyl-N-acylsphingosine[l]	8	7.8628	0.076427	0.44361	-7.6601	0.90774	1	10	0.098984	0.51878	7	9.2673	0.18593	0.7707	1	3.7653	0.23918	0.81031
sulfate[l]	15	3.9418	0.51492	0.99999	-3.9418	0.54576	1	4.8168	0.95207	0.98796	12	3.9981	0.97629	0.99076	3	2.7746	0.57897	0.9673
ceramide pool[l]	6	-0.64156	0.829	0.99999	0.64156	0.22528	0.87164	5.3159	0.5792	0.97335	2	4.5548	0.37724	0.98993	4	3.2899	0.58182	0.9673
sphingosine[l]	2	-4.933	0.97016	0.99999	4.933	0.057589	0.51423	4.6608	0.30778	0.82908	0	NA	NA	NA	2	4.6608	0.22914	0.81031
digalactosylceramide[g]	46	21.795	1.0999e-05	0.0011394	-21.203	0.99995	1	20.565	0.041988	0.34962	39	22.498	0.0084576	0.15938	7	-0.38735	0.98067	0.99321
fucosyl-galactosylgloboside[g];globo-H[c];G00038[c];nLc5Cer(G00051)[c];G00057[c];G00073[c];monofucosyllactoisooctaosylceramide[c];G00079[c]	2	4.2871	0.20506	0.69981	-4.2807	0.77984	1	6.8173	0.092833	0.5077	1	7.9651	0.018029	0.22178	1	1.676	0.53562	0.9673
sphinganine-1-phosphate[r];sphingosine-1-phosphate[r]	2	6.6089	0.066117	0.41583	-6.1766	0.89518	1	6.0045	0.15531	0.61877	2	6.0045	0.19299	0.7887	0	NA	NA	NA
sphingosylphosphorylcholine[c];SM pool[l];phosphocholine[l]	4	2.7024	0.43314	0.93589	-2.7024	0.58909	1	3.2149	0.71957	0.97978	2	4.5548	0.37724	0.98993	2	-0.0081924	0.84882	0.96952
ceramide pool[r]	8	2.69	0.53049	0.99999	-2.6033	0.50699	1	5.8481	0.61998	0.97734	5	5.4836	0.55562	0.99076	3	2.4705	0.62412	0.9673
glycerol[m]	12	2.244	0.65953	0.99999	-2.2439	0.40945	1	9.5395	0.30932	0.82908	7	7.6635	0.39107	0.99076	5	5.7109	0.28492	0.84468
glyceraldehyde[m]	15	2.4208	0.68547	0.99999	-2.4206	0.39048	1	12.111	0.12703	0.57504	8	10.117	0.15085	0.6971	7	6.9124	0.24292	0.81031
PC-LD pool[r]	22	-3.1042	0.9904	0.99999	3.1042	0.029801	0.36699	10.534	0.58805	0.9749	11	5.0676	0.92184	0.99076	11	9.8293	0.095065	0.60846
2-lysolecithin pool[r];fatty acid-LD-PC pool[r];PC-LD pool[l];2-lysolecithin pool[l];fatty acid-LD-PC pool[l]	17	-4.4949	0.99516	0.99999	4.4949	0.017081	0.26386	12.044	0.18604	0.66247	6	6.9634	0.4177	0.99076	11	9.8293	0.095065	0.60846
sn-glycerol-3-phosphate[c]	12	0.6387	0.81057	0.99999	3.1325	0.053435	0.50422	8.3928	0.47479	0.92557	8	4.5331	0.87225	0.99076	4	8.1259	0.050218	0.48715
1-acylglycerol-3P-laur[c];1-acylglycerol-3P-tridec[c];1-acylglycerol-3P-myrist[c];1-acylglycerol-3P-9-tetrade[c];1-acylglycerol-3P-7-tetrade[c];1-acylglycerol-3P-5-tetrade[c];1-acylglycerol-3P-pentade[c];1-acylglycerol-3P-palm[c];1-acylglycerol-3P-palmn[c];1-acylglycerol-3P-7-hexade[c];1-acylglycerol-3P-heptade[c];1-acylglycerol-3P-10-heptade[c];1-acylglycerol-3P-9-heptade[c];1-acylglycerol-3P-stea[c];1-acylglycerol-3P-13-octade[c];1-acylglycerol-3P-cis-vac[c];1-acylglycerol-3P-ol[c];1-acylglycerol-3P-9-octade[c];1-acylglycerol-3P-7-octade[c];1-acylglycerol-3P-6,9-octa[c];1-acylglycerol-3P-nanode[c];1-acylglycerol-3P-eico[c];1-acylglycerol-3P-13-eicose[c];1-acylglycerol-3P-11-eico[c];1-acylglycerol-3P-9-eicose[c];1-acylglycerol-3P-8,11-eico[c];1-acylglycerol-3P-5,8,11-eico[c];1-acylglycerol-3P-heneico[c];1-acylglycerol-3P-docosa[c];1-acylglycerol-3P-13-docose[c];1-acylglycerol-3P-11-docose[c];1-acylglycerol-3P-trico[c];1-acylglycerol-3P-tetraco[c];1-acylglycerol-3P-15-tetra[c];1-acylglycerol-3P-hexacosa[c];1-acylglycerol-3P-hexecose[c];1-acylglycerol-3P-linolen[c];1-acylglycerol-3P-6,9,12,15-octa[c];1-acylglycerol-3P-8,11,14,17-eico[c];1-acylglycerol-3P-5,8,11,14,17-eico[c];1-acylglycerol-3P-7,10,13,16,19-docosa[c];1-acylglycerol-3P-9,12,15,18,21-tetra[c];1-acylglycerol-3P-6,9,12,15,18,21-tetra[c];1-acylglycerol-3P-4,7,10,13,16,19-doco[c];1-acylglycerol-3P-11,14,17-eico[c];1-acylglycerol-3P-13,16,19-doco[c];1-acylglycerol-3P-10,13,16,19-doco[c];1-acylglycerol-3P-12,15,18,21-tetra[c];1-acylglycerol-3P-lin[c];1-acylglycerol-3P-gamma-lin[c];1-acylglycerol-3P-dihomo-gamma[c];1-acylglycerol-3P-arach[c];1-acylglycerol-3P-7,10,13,16-docosa[c];1-acylglycerol-3P-9,12,15,18-tetraco[c];1-acylglycerol-3P-6,9,12,15,18-tetraco[c];1-acylglycerol-3P-4,7,10,13,16-docosa[c];1-acylglycerol-3P-11,14-eicosa[c];1-acylglycerol-3P-13,16-docosa[c];1-acylglycerol-3P-10,13,16-docosa[c]	4	3.5646	0.33813	0.85825	-3.5646	0.67203	1	2.5068	0.80245	0.98237	3	3.2188	0.69748	0.99076	1	-0.56158	0.82754	0.96952
1-acylglycerol-3P-LD-TG1 pool[c]	11	4.8298	0.34134	0.85825	-4.8298	0.68844	1	10.741	0.13734	0.5957	9	8.0783	0.46504	0.99076	2	8.053	0.021184	0.32835
1-acylglycerol-3P-LD-PC pool[c];1-acylglycerol-3P-LD-PE pool[c];1-acylglycerol-3P-LD-PS pool[c];1-acylglycerol-3P-LD-PI pool[c];1-acylglycerol-3P-LD-SM pool[c]	10	4.1819	0.40037	0.91859	-4.1819	0.63367	1	10.455	0.1259	0.5729	8	7.6624	0.46856	0.99076	2	8.053	0.021184	0.32835
DHAP[s];glycerone[s]	4	-2.3856	0.90354	0.99999	2.3856	0.14123	0.75377	6.3206	0.27509	0.79547	2	2.4568	0.68767	0.99076	2	6.4818	0.075896	0.57891
1-alkyl-2-acylglycerol[c]	14	6.5761	0.22181	0.74119	-6.577	0.79416	1	11.743	0.13701	0.5957	9	11.27	0.093223	0.54472	5	4.5292	0.45331	0.95692
CDP-ethanolamine[c]	3	3.873	0.27475	0.80639	-3.8751	0.72461	1	5.8618	0.25632	0.77413	2	5.847	0.20992	0.81349	1	1.884	0.50397	0.9673
1-alkyl-2-acylglycerophosphoethanolamine[c];1-alkenyl-2-acylglycerol[c]	2	4.0375	0.2265	0.74834	-4.0401	0.76125	1	6.8446	0.091116	0.50399	1	7.7958	0.021176	0.22492	1	1.884	0.50397	0.9673
1,2-diacylglycerol-bile-PC pool[c]	13	4.638	0.39535	0.91149	-4.638	0.64583	1	10.024	0.28572	0.80348	8	9.1971	0.24977	0.86808	5	4.5292	0.45331	0.95692
CDP-choline[c]	4	-2.8096	0.92285	0.99999	2.8096	0.11837	0.71797	2.9792	0.7489	0.97978	1	0.32894	0.81335	0.99076	3	3.2502	0.50643	0.9673
bile-PC pool[c]	3	0.58502	0.644	0.99999	-0.58502	0.3957	1	5.7273	0.27309	0.79097	1	5.6758	0.1149	0.60377	2	3.0011	0.45565	0.95692
DHAP[p]	3	-4.5295	0.96956	0.99999	12.072	0.00017381	0.011336	11.101	0.004009	0.11803	1	4.3134	0.25206	0.86808	2	10.546	0.0014582	0.091828
sn-glycerol-3-phosphate[p]	2	-8.7041	0.99861	0.99999	17.942	5.0669e-07	0.00020394	10.546	0.0030394	0.099119	0	NA	NA	NA	2	10.546	0.0014582	0.091828
acyl-CoA-CL pool[m];1-acylglycerol-3P-CL pool[m]	13	4.6986	0.38858	0.91149	-4.6986	0.65162	1	9.6673	0.33332	0.84884	10	7.5986	0.6067	0.99076	3	6.251	0.12729	0.65625
phosphatidate-CL pool[m]	11	2.7758	0.57492	0.99999	-2.7758	0.48578	1	8.5651	0.39321	0.8721	7	6.9749	0.49528	0.99076	4	4.9766	0.33053	0.89608
CDP-diacylglycerol-CL pool[m]	4	-1.6769	0.86372	0.99999	1.6769	0.18573	0.81767	0.21985	0.95716	0.98796	0	NA	NA	NA	4	0.21985	0.91628	0.97296
acyl-CoA-LD-PC pool[c];acyl-CoA-LD-PE pool[c]	13	1.8809	0.70436	0.99999	-1.8809	0.36831	1	10.205	0.26283	0.77685	8	7.48	0.4968	0.99076	5	6.9933	0.14509	0.65625
phosphatidate-LD-PC pool[c]	25	7.3052	0.27216	0.8028	-7.3052	0.76734	1	12.726	0.37674	0.85827	20	10.366	0.70343	0.99076	5	7.7243	0.090652	0.6069
phosphatidate-LD-PE pool[c];phosphatidate-LD-PS pool[c]	24	7.1714	0.28252	0.81293	-7.1713	0.75641	1	12.788	0.32789	0.84541	19	10.41	0.6492	0.99076	5	7.7243	0.090652	0.6069
acyl-CoA-LD-PS pool[c];acyl-CoA-LD-PI pool[c];1-acylglycerol-3P-bile-PC pool[c];acyl-CoA-bile-PC pool[c]	9	3.2706	0.48434	0.98295	-3.2706	0.55978	1	9.9475	0.13631	0.59418	7	6.9749	0.49528	0.99076	2	8.053	0.021184	0.32835
phosphatidate-LD-PI pool[c]	22	6.5472	0.32299	0.85249	-6.5472	0.72125	1	12.857	0.25535	0.77413	15	11.481	0.31348	0.93291	7	5.9857	0.36468	0.91331
phosphatidate-LD-SM pool[c];phosphatidate-bile-PC pool[c]	20	7.0021	0.25987	0.79311	-7.0021	0.77015	1	13.805	0.10805	0.5321	15	11.481	0.31348	0.93291	5	7.7243	0.090652	0.6069
CDP-diacylglycerol-LD-PI pool[c]	3	-0.59308	0.76297	0.99999	0.59308	0.28339	0.92588	-1.0878	0.97691	0.98796	0	NA	NA	NA	3	-1.0878	0.95414	0.98284
inositol[c]	7	4.6292	0.29542	0.83489	-4.6292	0.71807	1	3.6441	0.84138	0.9838	6	4.1193	0.81446	0.99076	1	-0.4486	0.81629	0.9676
PI pool[c]	69	2.545	0.96573	0.99999	-0.97227	0.044793	0.4586	16.576	0.87898	0.98725	38	12.582	0.91974	0.99076	31	10.799	0.47304	0.9652
PI pool[r]	15	1.0054	0.81534	0.99999	-1.0054	0.25988	0.90708	4.3963	0.96615	0.98796	6	4.5853	0.76234	0.99076	9	1.9318	0.92952	0.97581
PE-LD pool[c]	41	-1.5886	0.9922	0.99999	3.6282	0.0078923	0.17158	15.707	0.40885	0.87802	21	8.9761	0.88284	0.99076	20	13.291	0.03161	0.39238
PE-PS-LD pool[c]	3	2.1249	0.46652	0.97124	-2.127	0.55531	1	6.5836	0.17623	0.64643	1	7.7958	0.021176	0.22492	2	2.5507	0.52377	0.9673
PS-LD pool[c]	18	1.601	0.79456	0.99999	1.4782	0.08866	0.62703	8.41	0.73004	0.97978	13	4.1525	0.98027	0.99076	5	9.261	0.027225	0.36974
ethanolamine[c]	13	0.75461	0.80641	0.99999	-0.75461	0.26548	0.90708	4.411	0.94096	0.98796	8	2.5634	0.97144	0.99076	5	3.8701	0.5534	0.9673
2-lysolecithin pool[c]	42	-3.811	0.999	0.99999	7.8426	0.00021481	0.013044	17.957	0.16269	0.63401	18	10.599	0.58099	0.99076	24	14.576	0.023594	0.3449
sn-glycerol-3-PC[c]	13	0.61346	0.81749	0.99999	3.0098	0.055188	0.50575	10.035	0.28428	0.801	6	8.1601	0.25092	0.86808	7	6.1204	0.34569	0.90068
cholesterol-ester pool[c]	12	0.03688	0.85445	0.99999	3.7343	0.03859	0.41437	10.374	0.20777	0.70226	7	5.3919	0.72463	0.99076	5	9.6922	0.018408	0.31942
acetylcholine[c]	6	-1.0867	0.85992	0.99999	1.0867	0.19221	0.82355	10.334	0.044644	0.35899	3	6.5095	0.22295	0.82742	3	8.1055	0.031919	0.39238
1-acyl-PE pool[c]	41	-3.4025	0.99836	0.99999	7.483	0.00034426	0.018371	17.755	0.15781	0.62451	18	10.599	0.58099	0.99076	23	14.329	0.0233	0.3449
sn-glycerol-3-PE[c]	12	1.1442	0.76802	0.99999	2.627	0.069125	0.55509	10.039	0.24606	0.76153	6	8.1601	0.25092	0.86808	6	6.0366	0.3036	0.85901
hexadecanol[p]	4	0.93063	0.63444	0.99999	-0.93063	0.41002	1	4.7063	0.50614	0.9497	2	4.2496	0.42228	0.99076	2	2.4061	0.5456	0.9673
2-acetyl-1-alkyl-sn-glycero-3-phosphocholine[c]	9	2.0857	0.62043	0.99999	-1.2394	0.35396	1	5.3232	0.74923	0.97978	3	7.6139	0.1167	0.60526	6	1.1357	0.91383	0.97296
1-organyl-2-lyso-sn-glycero-3-phosphocholine[c]	26	-1.8352	0.98274	0.99999	2.3331	0.03654	0.40217	13.479	0.29914	0.81798	10	10.419	0.21023	0.81349	16	8.9461	0.31241	0.87354
acetate[s]	9	5.6568	0.23094	0.75027	-5.6568	0.77852	1	13.25	0.0091265	0.18473	7	10.494	0.086183	0.51832	2	8.4743	0.014267	0.29064
acetylcholine[s]	6	-1.0867	0.85992	0.99999	1.0867	0.19221	0.82355	10.334	0.044644	0.35899	3	6.5095	0.22295	0.82742	3	8.1055	0.031919	0.39238
choline[s]	8	0.16014	0.79191	0.99999	-0.16014	0.26923	0.90708	11.604	0.028529	0.31012	5	7.0709	0.31568	0.93338	3	9.8214	0.0059683	0.20264
1-alkyl-2-lysoglycerol-3-phosphocholine[c]	5	5.4584	0.18116	0.6616	-4.3229	0.72469	1	5.4216	0.48173	0.93172	3	7.6139	0.1167	0.60526	2	-0.75276	0.9056	0.97155
choline[g];phosphatidate-LD-PC pool[g];choline[r];phosphatidate-LD-PC pool[r];2-acyl-1-(1-alkenyl)-sn-glycero-3-phosphate[c]	4	1.9089	0.52428	0.99999	-1.9089	0.50897	1	0.45541	0.94836	0.98796	4	0.45541	0.97042	0.99076	0	NA	NA	NA
LacCer pool[c]	55	21.445	3.3049e-05	0.0026454	-20.905	0.99987	1	20.044	0.16537	0.6389	46	21.939	0.056127	0.41669	9	-0.049288	0.98708	0.99607
GA2[c]	12	3.4424	0.52442	0.99999	-3.4423	0.53165	1	4.3729	0.92787	0.98796	7	5.2355	0.74433	0.99076	5	0.57972	0.91774	0.97296
GA1[c]	8	1.9331	0.61672	0.99999	-1.9331	0.438	1	1.3242	0.97937	0.98796	4	2.9999	0.81505	0.99076	4	-1.1272	0.971	0.99115
GM1[c]	11	2.4205	0.61497	0.99999	-2.4205	0.44954	1	2.0166	0.98614	0.9912	6	3.5483	0.86773	0.99076	5	-0.89583	0.9746	0.99321
N-acetylgalactosamine[c]	4	-0.66519	0.78953	0.99999	0.66519	0.26263	0.90708	-0.38895	0.9744	0.98796	2	-1.1702	0.96966	0.99076	2	0.62011	0.78604	0.9673
GD1a[c]	10	-6.2337	0.99749	0.99999	6.2337	0.0085507	0.17926	7.7532	0.45408	0.91237	3	1.9512	0.84376	0.99076	7	7.9895	0.1346	0.65625
GM3[c]	8	3.1198	0.4806	0.98241	-3.1197	0.5601	1	3.3999	0.89336	0.98725	5	3.796	0.78777	0.99076	3	0.65143	0.84536	0.96952
GM2[c]	13	3.0743	0.57522	0.99999	-3.0742	0.48849	1	4.271	0.94695	0.98796	7	5.2355	0.74433	0.99076	6	0.63182	0.94037	0.97734
GD2[c]	3	3.703	0.29168	0.82981	-3.7028	0.70935	1	4.2856	0.47844	0.92959	1	7.5978	0.025432	0.24369	2	-0.12365	0.85886	0.96952
GD1b[c]	7	0.53506	0.74505	0.99999	-0.53506	0.31543	0.96437	1.3631	0.96922	0.98796	3	1.9512	0.84376	0.99076	4	0.11343	0.92237	0.9743
GT1b[c]	7	-2.3726	0.93433	0.99999	2.3726	0.10905	0.70084	4.5627	0.74219	0.97978	3	1.9512	0.84376	0.99076	4	4.346	0.42178	0.95692
GQ1b[c]	3	1.4782	0.54232	0.99999	-1.4782	0.48775	1	1.6992	0.82424	0.9838	2	1.9033	0.7583	0.99076	1	0.25133	0.7369	0.9673
globotriaosylceramide[c]	6	-1.9501	0.9085	0.99999	1.9501	0.1371	0.75377	1.2449	0.9591	0.98796	3	-1.1212	0.98626	0.99211	3	2.8818	0.56277	0.9673
globoside[c]	6	-2.398	0.92815	0.99999	2.398	0.11324	0.7122	1.0391	0.96549	0.98796	2	-1.1702	0.96966	0.99076	4	2.1001	0.74586	0.9673
globotriaosylceramide[l]	4	-3.1686	0.93678	0.99999	3.1686	0.10117	0.67881	1.6208	0.88234	0.98725	1	-1.7498	0.95575	0.99076	3	2.8818	0.56277	0.9673
IV3GalNAca-Gb4Cer[c]	2	0.32756	0.6326	0.99999	-0.32756	0.40697	1	-0.49234	0.92793	0.98796	1	0.094958	0.83691	0.99076	1	-0.79124	0.84902	0.96952
galactosylgloboside[c]	5	2.3931	0.49362	0.98577	-2.3891	0.53964	1	4.7989	0.57566	0.97194	2	6.1185	0.18127	0.75724	3	1.1996	0.78978	0.9673
monosialylgalactosylgloboside[c]	4	-0.77599	0.79865	0.99999	0.77599	0.25349	0.90708	0.67046	0.93914	0.98796	1	0.68785	0.77335	0.99076	3	0.37705	0.86915	0.97056
lc3Cer[c]	7	10.684	0.010522	0.14363	-10.677	0.9838	1	11.104	0.032701	0.32352	5	13.145	0.002179	0.066592	2	-0.010828	0.84905	0.96952
lc4Cer[c]	9	7.6679	0.092958	0.48259	-7.6649	0.90083	1	9.8547	0.14423	0.60294	6	10.577	0.053901	0.40271	3	2.111	0.67535	0.9673
3-isoLM1[c]	5	5.8123	0.15522	0.61742	-5.8122	0.8364	1	5.9082	0.40878	0.87802	4	6.2462	0.35689	0.98014	1	0.71873	0.67553	0.9673
fuc-3-isoLM1[c];fuc-Lc4Cer[c];fucacgalfucgalacglcgalgluside heparan sulfate[c];IV2Fuc,III4Fuc-Lc4Cer[c];G00040[c];fucacgalfucgalacglcgalgluside heparan sulfate[g];fucgalfucgalacglcgalgluside heparan sulfate[g]	3	7.5175	0.047353	0.36175	-7.5174	0.9394	1	6.8153	0.1543	0.61753	3	6.8153	0.18911	0.77659	0	NA	NA	NA
IV2Fuc-Lc4Cer[c];type I B glycolipid[c];type I H glycolipid[g]	6	8.1073	0.054863	0.38467	-8.1036	0.93459	1	8.8187	0.13016	0.58243	5	8.9109	0.11544	0.60427	1	1.676	0.53562	0.9673
type I A glycolipid[c];type I B glycolipid[g]	4	6.898	0.083657	0.45754	-6.8979	0.90272	1	5.9801	0.31981	0.83848	4	5.9801	0.39618	0.99076	0	NA	NA	NA
paragloboside[c]	16	14.406	0.0013761	0.038467	-13.834	0.996	1	21.175	3.9442e-06	0.0024635	12	20.325	6.5446e-06	0.0047362	4	7.1455	0.10243	0.61961
sialyl-3-paragloboside[c]	5	3.1194	0.4098	0.92164	-3.014	0.60265	1	7.2152	0.23351	0.74901	3	6.6226	0.21006	0.81349	2	3.2973	0.41142	0.94785
IV3NeuAc,III3Fuc-nLc4Cer[c];III3,IV2Fuc-nLc4Cer[c]	3	7.1447	0.059217	0.39651	-7.0086	0.92171	1	6.6226	0.17241	0.64148	3	6.6226	0.21006	0.81349	0	NA	NA	NA
type II B antigen[c];type III H glycolipid[c];G00074[c];type III H glycolipid[g];fucgalacgalfucgalacglcgal14acglcgalgluside heparan sulfate[g];fucfucgalacglcgalacglcgal14acglcgalgluside heparan sulfate[g]	3	3.948	0.26744	0.7984	-3.9429	0.73049	1	5.6562	0.28217	0.79884	2	5.7423	0.22164	0.82742	1	1.676	0.53562	0.9673
IV2Fuc-nLc4Cer[c]	6	7.8437	0.063927	0.40467	-7.7439	0.92186	1	8.6824	0.1414	0.60294	5	8.7615	0.12718	0.62516	1	1.676	0.53562	0.9673
III3Fuc-nLc4Cer[c];nLc8Cer[c];G00084[c];G00085[c];G00086[c];V3Fuc-nLc6Cer[c];V3Fuc,III3Fuc-nLc6Cer[c];G00081[c];G00082[c];III3Fuc-nLc6Cer[c]	5	11.006	0.0056933	0.095485	-10.9	0.98894	1	10.332	0.02796	0.30818	5	10.332	0.03981	0.3246	0	NA	NA	NA
nLc5Cer[c]	8	11.141	0.0085627	0.12671	-10.418	0.97938	1	16.809	4.821e-05	0.0094331	6	16.06	9.4482e-05	0.011446	2	5.8005	0.1201	0.65625
nLc6Cer[c]	17	13.523	0.003249	0.065763	-12.968	0.99206	1	20.916	8.0962e-06	0.0035644	12	20.325	6.5446e-06	0.0047362	5	7.079	0.13775	0.65625
nLc7Cer[c]	4	3.5314	0.34164	0.85825	-2.5178	0.57066	1	11.8	0.0037058	0.11251	2	10.887	0.003133	0.083025	2	5.8005	0.1201	0.65625
VI2Fuc-nLc6[c]	8	11.118	0.008719	0.12795	-11.032	0.9861	1	11.632	0.02785	0.30818	7	11.801	0.030948	0.27919	1	1.676	0.53562	0.9673
iso-nLc8Cer[c];galacgalfuc12gal14acglcgalgluside heparan sulfate[g];galacgalfucgalacglcgal14acglcgalgluside heparan sulfate[g]	3	9.4106	0.012932	0.16213	-8.235	0.95886	1	11.438	0.00272	0.0958	2	12.823	0.00025685	0.021781	1	1.676	0.53562	0.9673
sulfatide[l]	4	7.0928	0.075335	0.44074	-7.0928	0.91101	1	6.678	0.23172	0.74601	4	6.678	0.29637	0.93225	0	NA	NA	NA
N-acetylgalactosamine[l];chondroitin sulfate A (GalNAc4S-GlcA), degradation product 5[l]	5	-1.8285	0.88812	0.99999	1.8285	0.16231	0.8062	2.1574	0.88386	0.98725	2	0.013083	0.92269	0.99076	3	2.7746	0.57897	0.9673
GM3[l]	5	0.597	0.69442	0.99999	-0.597	0.35893	1	0.81342	0.95592	0.98796	3	0.5438	0.94029	0.99076	2	0.62011	0.78604	0.9673
GM2[l]	2	0.4302	0.62119	0.99999	-0.4302	0.41715	1	0.2648	0.87944	0.98725	1	0.64169	0.77875	0.99076	1	-0.26721	0.79729	0.9673
GM4[l]	2	7.4764	0.039202	0.33031	-7.071	0.93088	1	7.1811	0.071861	0.44875	2	7.1811	0.093969	0.54472	0	NA	NA	NA
GM2A-GM2[l]	4	-1.2912	0.83786	0.99999	1.2912	0.21325	0.84962	-0.57004	0.97823	0.98796	1	-1.7498	0.95575	0.99076	3	0.35204	0.87119	0.97155
D-galactosyl-N-acylsphingosine[c]	46	22.707	3.2617e-06	0.00066563	-22.079	0.99998	1	21.506	0.018386	0.25295	39	23.52	0.002642	0.075946	7	-0.38735	0.98067	0.99321
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol[r]	3	2.0124	0.47969	0.98225	-2.0124	0.54343	1	0.99005	0.88529	0.98725	2	1.7777	0.77303	0.99076	1	-0.79926	0.84973	0.96952
O-D-mannosylprotein[c];[protein]-L-serine[c]	2	1.8462	0.45735	0.96454	-1.8462	0.56021	1	0.48335	0.86191	0.98725	1	2.4203	0.52884	0.99076	1	-1.7368	0.91827	0.97296
N-acetyl-D-glucosaminylphosphatidylinositol[c];N-acetyl-D-glucosaminylphosphatidylinositol[r]	7	0.48462	0.74976	0.99999	-0.48462	0.31081	0.95523	1.729	0.95818	0.98796	3	1.9761	0.84143	0.99076	4	0.57593	0.89331	0.97155
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol[c]	2	2.6549	0.36522	0.88311	-2.6549	0.63964	1	1.7777	0.7244	0.97978	2	1.7777	0.77303	0.99076	0	NA	NA	NA
glucosaminyl-acylphosphatidylinositol[r]	3	7.9253	0.036639	0.31321	-7.9253	0.95119	1	7.6364	0.091582	0.50399	3	7.6364	0.11499	0.60377	0	NA	NA	NA
mgacpail heparan sulfate[r]	4	7.0416	0.077455	0.444	-7.0416	0.90889	1	6.461	0.25759	0.77413	4	6.461	0.3262	0.9441	0	NA	NA	NA
m2gacpail heparan sulfate[r];memgacpail heparan sulfate[r]	3	2.6394	0.40693	0.91859	-2.6394	0.60764	1	1.7799	0.81617	0.9838	3	1.7799	0.85918	0.99076	0	NA	NA	NA
m3gacpail heparan sulfate[r]	9	7.2828	0.11307	0.52967	-7.2828	0.88249	1	6.012	0.65857	0.97978	9	6.012	0.76142	0.99076	0	NA	NA	NA
emgacpail heparan sulfate[r]	2	2.7087	0.35931	0.88109	-2.7087	0.64475	1	2.1066	0.68107	0.97978	2	2.1066	0.7334	0.99076	0	NA	NA	NA
m2emgacpail heparan sulfate[r]	6	3.1031	0.44391	0.94754	-3.1031	0.58533	1	1.7491	0.93938	0.98796	5	2.4562	0.90687	0.99076	1	-1.2078	0.88326	0.97155
m3emgacpail heparan sulfate[r]	4	1.883	0.52727	0.99999	-1.883	0.50632	1	0.64924	0.9401	0.98796	3	1.447	0.8861	0.99076	1	-1.2078	0.88326	0.97155
em2emgacpail heparan sulfate[r]	9	6.9882	0.13043	0.5602	-6.9882	0.8668	1	5.5748	0.71763	0.97978	8	6.3401	0.6682	0.99076	1	-1.2078	0.88326	0.97155
mem2emgacpail heparan sulfate[r]	8	6.3182	0.16359	0.63314	-6.3182	0.83633	1	4.894	0.74903	0.97978	7	5.6884	0.68533	0.99076	1	-1.2078	0.88326	0.97155
PE-LD pool[r];1,2-diacylglycerol-LD-PE pool[r];em3gacpail heparan sulfate[r]	4	3.5015	0.34483	0.86079	-3.5015	0.66618	1	2.6943	0.78207	0.97978	4	2.6943	0.84509	0.99076	0	NA	NA	NA
emem2gacpail heparan sulfate[r]	3	2.8956	0.37795	0.89804	-2.8956	0.63316	1	2.1435	0.77706	0.97978	3	2.1435	0.82517	0.99076	0	NA	NA	NA
gpi heparan sulfate[r]	7	7.2267	0.097355	0.49407	-7.2267	0.894	1	6.1443	0.5189	0.95019	7	6.1443	0.62074	0.99076	0	NA	NA	NA
glycophosphatidylinositol-(GPI)-anchored-protein-precursor[r];gpi_sig[r];m3gacpail_prot heparan sulfate[r];mem2emgacpail_prot heparan sulfate[r]	4	7.0523	0.077009	0.44361	-7.0523	0.90934	1	6.2719	0.2813	0.79884	4	6.2719	0.35316	0.97794	0	NA	NA	NA
em2emgacpail_prot heparan sulfate[r];gpi_prot heparan sulfate[r]	5	5.8339	0.15372	0.61663	-5.8339	0.83777	1	5.8581	0.41618	0.8823	4	6.2719	0.35316	0.97794	1	0.55544	0.69764	0.9673
cortisol[m];11beta-hydroxyandrost-4-ene-3,17-dione[c];11beta-hydroxyandrost-4-ene-3,17-dione[m];11beta-hydroxyandrost-4-ene-3,17-dione[r]	2	-5.738	0.98297	0.99999	5.738	0.037505	0.40769	5.3996	0.21665	0.72116	0	NA	NA	NA	2	5.3996	0.15333	0.66304
prostaglandin E2[c]	14	1.8132	0.73439	0.99999	-1.5636	0.31811	0.96918	9.9802	0.33685	0.84884	8	7.3698	0.51388	0.99076	6	6.735	0.21716	0.79199
prostaglandin A2[c];prostaglandin A1[c]	23	-1.3809	0.96907	0.99999	1.5757	0.066577	0.55043	7.4082	0.93337	0.98796	10	4.5643	0.92347	0.99076	13	5.8507	0.6562	0.9673
prostaglandin F2alpha[c]	5	-2.9258	0.93785	0.99999	2.9258	0.10254	0.67887	6.4316	0.33375	0.84884	2	2.792	0.641	0.99076	3	6.0235	0.14647	0.65625
prostaglandin D2[c]	3	-8.2544	0.99851	0.99999	8.2544	0.0049707	0.12327	8.0006	0.0708	0.44571	0	NA	NA	NA	3	8.0006	0.034921	0.42562
2-arachidonoylglycerol[c]	14	5.765	0.2984	0.8365	-5.765	0.72951	1	8.7301	0.52238	0.95019	10	8.2054	0.51562	0.99076	4	3.3588	0.5715	0.9673
1-lyso-2-arachidonoyl-phosphatidate[c];2-acyl-1-alkyl-sn-glycero-3-phosphate[c]	11	6.4833	0.18673	0.67416	-6.4833	0.8201	1	9.6172	0.25202	0.7705	8	9.1971	0.24977	0.86808	3	3.3968	0.48391	0.96647
prostaglandin J2[c];S-(PGJ2)-glutathione[c]	20	-0.050162	0.91899	0.99999	0.25902	0.13369	0.75377	7.1414	0.90806	0.98725	9	5.4337	0.82495	0.99076	11	4.7144	0.73354	0.9673
S-(9-deoxy-delta9,12-PGD2)-glutathione[c];S-(9-deoxy-delta12-PGD2)-glutathione[c]	20	-0.050162	0.91899	0.99999	0.25902	0.13369	0.75377	7.1414	0.90806	0.98725	9	5.4337	0.82495	0.99076	11	4.7144	0.73354	0.9673
prostaglandin H1[c]	5	8.1739	0.044207	0.35128	-7.7562	0.93052	1	8.6912	0.09884	0.51878	4	9.3	0.059928	0.4325	1	0.83407	0.65952	0.9673
1-radyl-2-acyl-sn-glycero-3-phosphocholine[c]	34	-3.9966	0.99856	0.99999	6.2371	0.0014294	0.046614	16.139	0.17974	0.65257	14	9.0936	0.60972	0.99076	20	13.434	0.027862	0.37133
1-(1-alkenyl)-sn-glycero-3-phosphoethanolamine[c]	23	-5.4346	0.9988	0.99999	5.4346	0.0065832	0.15447	12.621	0.3145	0.83305	7	7.4684	0.42014	0.99076	16	10.192	0.16722	0.68544
O-1-alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine[c]	38	-1.4594	0.98998	0.99999	3.578	0.0088917	0.17998	16.295	0.2593	0.77413	19	9.8033	0.73264	0.99076	19	13.241	0.031417	0.39238
1-alkyl-2-acetyl-sn-glycerol[c]	2	-3.38	0.92324	0.99999	3.38	0.11905	0.71797	3.0011	0.55171	0.9571	0	NA	NA	NA	2	3.0011	0.45565	0.95692
fatty acid-ligands[n];PPARA[n]	25	8.3064	0.18449	0.66986	-5.227	0.57692	1	16.353	0.046037	0.36518	18	14.002	0.13297	0.63885	7	8.4527	0.10021	0.61875
activation-ppara[n]	68	5.477	0.82832	0.99999	-0.20983	0.030318	0.36821	24.387	0.031281	0.31846	39	19.02	0.15265	0.69783	29	15.286	0.025855	0.36505
activation-ppara[c]	49	-0.34191	0.98869	0.99999	4.3472	0.0026203	0.075644	19.247	0.14941	0.61319	22	13.816	0.27936	0.91049	27	13.458	0.087612	0.6069
activation-ppara[r]	4	-2.4493	0.90665	0.99999	2.4493	0.13761	0.75377	2.3673	0.81683	0.9838	1	0.15807	0.83075	0.99076	3	2.6423	0.59878	0.9673
activation-ppara[m]	6	-2.3155	0.92479	0.99999	2.3155	0.1174	0.71797	2.8581	0.87075	0.98725	3	0.019715	0.96088	0.99076	3	4.0222	0.38931	0.92837
activation-ppara[p]	2	1.1534	0.53836	0.99999	-1.1534	0.49003	1	0.14503	0.88835	0.98725	1	1.4278	0.67743	0.99076	1	-1.2227	0.88437	0.97155
activation-ppara[s]	7	-1.7244	0.90648	0.99999	6.6621	0.0096495	0.19093	11.919	0.015654	0.22865	3	6.9214	0.17815	0.75071	4	9.7729	0.011527	0.26703
[protein]-L-serine[r];Xyl-L-Ser-[protein][r]	2	5.5584	0.11566	0.53515	-5.5584	0.8637	1	5.3076	0.22708	0.73509	2	5.3076	0.27408	0.90809	0	NA	NA	NA
Gal-Xyl-L-Ser-[protein][g]	2	5.2928	0.13158	0.56378	-5.2928	0.84836	1	5.0335	0.25975	0.77413	2	5.0335	0.31003	0.9323	0	NA	NA	NA
Gal2-Xyl-L-Ser-[protein][g]	4	5.2727	0.18109	0.6616	-5.2727	0.8111	1	5.3989	0.40223	0.87507	3	6.1919	0.26149	0.88741	1	0.07322	0.75863	0.9673
3-beta-D-glucuronosyl-3-beta-D-galactosyl-4-beta-D-galactosyl-O-beta-D-xylosylprotein[g]	7	2.554	0.52747	0.99999	-2.554	0.51637	1	3.9383	0.81274	0.98376	3	5.5132	0.35386	0.97794	4	0.43532	0.90288	0.97155
chondroitin sulfate precursor (GalNAc-GlcA-(Gal)2-Xyl-L-Ser (protein))[g]	9	0.639	0.76696	0.99999	-0.639	0.29811	0.93502	2.8004	0.9492	0.98796	4	2.6506	0.84912	0.99076	5	1.3864	0.86041	0.96952
heparan sulfate, precursor 1[g]	4	2.1615	0.49517	0.98679	-2.1615	0.53467	1	1.2746	0.90628	0.98725	3	1.8507	0.85293	0.99076	1	-0.65624	0.83662	0.96952
heparan sulfate, precursor 2[g];heparan sulfate, precursor 3[g];heparan sulfate, precursor 4[g];heparan sulfate, precursor 5[g];heparan sulfate, precursor 6[g];heparan sulfate, precursor 7[g];heparan sulfate, precursor 8[g]	4	3.5476	0.33993	0.85825	-3.5476	0.67045	1	2.6951	0.78199	0.97978	4	2.6951	0.84502	0.99076	0	NA	NA	NA
heparan sulfate, precursor 9[g]	6	-0.53484	0.82099	0.99999	0.53484	0.23366	0.88301	5.3109	0.57994	0.97335	4	2.6951	0.84502	0.99076	2	5.3873	0.15444	0.66304
acetate[g]	5	-0.2844	0.77809	0.99999	0.2844	0.27828	0.92274	6.9851	0.26112	0.77413	2	5.6399	0.23345	0.84061	3	4.4127	0.33306	0.89967
heparan sulfate, precursor 10[g]	3	-3.3175	0.93545	0.99999	3.3175	0.099254	0.67648	5.7939	0.26471	0.77831	1	2.4166	0.52942	0.99076	2	5.3873	0.15444	0.66304
heparan sulfate, precursor 11[g]	2	4.3308	0.20143	0.69415	-4.3308	0.7836	1	4.0242	0.39755	0.87507	2	4.0242	0.45624	0.99076	0	NA	NA	NA
heparan sulfate, precursor 12[g]	4	7.4589	0.061418	0.39951	-7.4582	0.92512	1	6.963	0.20007	0.69082	4	6.963	0.2592	0.88452	0	NA	NA	NA
heparan sulfate, precursor 13[g]	5	8.4752	0.036583	0.31321	-8.4746	0.95199	1	7.9025	0.16145	0.63322	5	7.9025	0.21057	0.81349	0	NA	NA	NA
heparan sulfate, precursor 14[g]	3	4.4918	0.21752	0.73135	-4.4918	0.77576	1	3.6092	0.58071	0.97335	3	3.6092	0.64258	0.99076	0	NA	NA	NA
heparan sulfate, precursor 15[g]	6	4.3655	0.30539	0.83961	-4.3655	0.70628	1	3.9478	0.76349	0.97978	5	4.1813	0.7416	0.99076	1	0.32034	0.72823	0.9673
heparan sulfate proteoglycan[g]	5	4.6565	0.24925	0.77103	-4.6565	0.75257	1	4.6679	0.59506	0.9749	4	5.0587	0.538	0.99076	1	0.32034	0.72823	0.9673
chondroitin sulfate A (GalNAc4S-GlcA), B (IdoA2S-GalNAc4S), and E (GalNAc4,6diS-GlcA), precursor 1[g]	9	5.1123	0.28203	0.81284	-5.1103	0.73433	1	6.1062	0.64525	0.97967	6	6.5263	0.48469	0.99076	3	1.3467	0.77309	0.9673
chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 2[g]	5	5.5777	0.17212	0.64905	-5.575	0.8209	1	8.4748	0.11391	0.5496	3	9.1348	0.037293	0.30853	2	2.212	0.57466	0.9673
chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 3[g];chondroitin sulfate A (GalNAc4S-GlcA) and B (IdoA2S-GalNAc4S), precursor 2[g];chondroitin sulfate C (GalNAc6S-GlcA), precursor 2[g];chondroitin sulfate D (GlcNAc6S-GlcA2S), precursor 3[g]	6	5.5993	0.19256	0.68384	-5.5968	0.80552	1	6.9231	0.34152	0.85452	3	9.1348	0.037293	0.30853	3	0.65591	0.84495	0.96952
chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 4[g]	12	2.9989	0.57564	0.99999	-2.9971	0.48599	1	4.7245	0.90773	0.98725	6	5.5454	0.63373	0.99076	6	1.136	0.91382	0.97296
chondroitin sulfate A (GalNAc4S-GlcA) and B (IdoA2S-GalNAc4S), precursor 3[g]	9	2.9836	0.51775	0.99999	-2.9815	0.53016	1	2.9289	0.94386	0.98796	5	3.7774	0.78987	0.99076	4	0.17014	0.91917	0.97296
chondroitin sulfate A (GalNAc4S-GlcA) proteoglycan[g]	5	2.2639	0.50867	0.99309	-2.2639	0.52684	1	0.57214	0.96382	0.98796	4	1.0376	0.95159	0.99076	1	-0.79578	0.84942	0.96952
chondroitin sulfate B (IdoA2S-GalNAc4S), precursor 4[g]	4	1.4325	0.57871	0.99999	-1.4325	0.46046	1	-0.31582	0.9727	0.98796	3	0.094771	0.95835	0.99076	1	-0.79578	0.84942	0.96952
chondroitin sulfate B (IdoA2S-GalNAc4s), precursor 5[g]	6	-0.6064	0.82639	0.99999	0.6064	0.22802	0.87675	1.1401	0.96247	0.98796	3	0.094771	0.95835	0.99076	3	1.5175	0.75278	0.9673
chondroitin sulfate B - dermatan sulfate (IdoA2S-GalNAc4S) proteoglycan[g]	2	-3.0761	0.90955	0.99999	3.0761	0.13515	0.75377	2.4213	0.63714	0.97967	0	NA	NA	NA	2	2.4213	0.54331	0.9673
chondroitin sulfate C (GalNAc6S-GlcA) and D (GlcNAc6S-GlcA2S), precursor 1[g]	8	4.8609	0.28927	0.82561	-4.8587	0.72626	1	9.4392	0.14181	0.60294	4	10.479	0.021982	0.22492	4	2.8695	0.6433	0.9673
chondroitin sulfate C (GalNAc6S-GlcA), precursor 3[g];chondroitin sulfate D (GlcNAc6S-GlcA2S), precursor 4[g]	8	2.66	0.53396	0.99999	-2.6578	0.51261	1	6.0096	0.59618	0.9749	3	7.7476	0.10681	0.58614	5	1.6003	0.84148	0.96952
chondroitin sulfate C (GalNAc6S-GlcA) proteoglycan[g];chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 5b[g]	3	0.8301	0.61678	0.99999	-0.8301	0.42061	1	4.3759	0.46475	0.92115	1	5.137	0.16105	0.71502	2	1.727	0.64522	0.9673
chondroitin sulfate D (GlcNAc6S-GlcA2S) precursor 2[g]	5	5.5056	0.17755	0.65973	-5.5029	0.816	1	8.5502	0.10849	0.5321	3	9.1348	0.037293	0.30853	2	2.3312	0.55685	0.9673
chondroitin sulfate D (GlcNAc6S-GlcA2S), precursor 5[g]	4	-1.1762	0.82957	0.99999	1.1762	0.22189	0.8664	5.5968	0.37346	0.85654	1	5.137	0.16105	0.71502	3	3.4968	0.46858	0.9622
chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 5a[g]	5	-0.34167	0.78303	0.99999	0.34167	0.27336	0.91171	1.2586	0.93774	0.98796	3	0.094771	0.95835	0.99076	2	1.8739	0.62424	0.9673
chondroitin sulfate A (GalNAc4S-GlcA), free chain[l];chondroitin sulfate A (GalNAc4S-GlcA), degradation product 4[l];chondroitin sulfate B - dermatan sulfate (IdoA2S-GalNAc4S), free chain[l];chondroitin sulfate E (GalNAc4,6diS-GlcA), free chain[l]	6	-1.4529	0.88232	0.99999	1.4529	0.16736	0.81192	1.87	0.93369	0.98796	3	-0.13002	0.96556	0.99076	3	2.7746	0.57897	0.9673
chondroitin sulfate A (GalNAc4S-GlcA), degradation product 1[l];chondroitin sulfate B - dermatan sulfate (IdoA2S-GalNAc4S), degradation product 1[l]	4	-0.76794	0.798	0.99999	0.76794	0.25414	0.90708	-0.55829	0.978	0.98796	2	-1.4096	0.97543	0.99076	2	0.62011	0.78604	0.9673
chondroitin sulfate A (GalNAc4S-GlcA), degradation product 2[l];chondroitin sulfate E (GalNAc4,6diS-GlcA), degradation product 3[l]	7	-3.9484	0.97555	0.99999	3.9484	0.050638	0.4923	5.3073	0.64295	0.97967	3	0.75814	0.92974	0.99076	4	6.3643	0.16624	0.68544
chondroitin sulfate A (GalNAc4S-GlcA), degradation product 3[l]	4	-2.4525	0.9068	0.99999	2.4525	0.13743	0.75377	4.6717	0.51137	0.9497	3	0.82011	0.92644	0.99076	1	7.923	0.010788	0.26703
glucuronate[l]	3	-4.3995	0.96683	0.99999	4.3995	0.058326	0.51423	5.7936	0.26475	0.77831	1	1.2946	0.69589	0.99076	2	6.1802	0.093634	0.60846
chondroitin sulfate B - dermatan sulfate (IdoA2S-GalNAc4S), degradation product 2[l]	6	-1.5282	0.8866	0.99999	1.5282	0.16252	0.8062	1.7194	0.94072	0.98796	3	-0.34295	0.97141	0.99076	3	2.7746	0.57897	0.9673
chondroitin sulfate B - dermatan sulfate (IdoA2S-GalNAc4S), degradation product 3[l];heparan sulfate, degradation product 16[l];heparan sulfate, degradation product 22[l]	2	0.89699	0.56811	0.99999	-0.89699	0.46403	1	-0.17181	0.90963	0.98725	2	-0.17181	0.93243	0.99076	0	NA	NA	NA
L-iduronic acid[l]	2	-0.23959	0.6933	0.99999	0.23959	0.35204	1	0.83914	0.82981	0.9838	1	0.36954	0.80906	0.99076	1	0.81719	0.66188	0.9673
chondroitin sulfate C (GalNAc6S-GlcA), degradation product 2[l];hyaluronan degradation product 1[l]	5	-3.7672	0.96268	0.99999	3.7672	0.068963	0.55509	3.7319	0.72449	0.97978	2	-0.32187	0.93961	0.99076	3	5.0807	0.24552	0.81232
chondroitin sulfate C (GalNAc6S-GlcA), degradation product 3[l];chondroitin sulfate D (GlcNAc6S-GlcA2S), degradation product 4[l]	8	-0.8884	0.86829	0.99999	0.8884	0.18763	0.81989	4.5927	0.78436	0.97978	5	1.8739	0.93932	0.99076	3	5.0807	0.24552	0.81232
chondroitin sulfate D (GlcNAc6S-GlcA2S), degradation product 3[l];heparan sulfate, degradation product 10[l];hyaluronate[l]	2	-4.4958	0.96035	0.99999	4.4958	0.071599	0.55736	6.5179	0.11324	0.54937	1	1.2946	0.69589	0.99076	1	7.923	0.010788	0.26703
chondroitin sulfate E (GalNAc4,6diS-GlcA), degradation product 1[l]	4	3.2203	0.37521	0.8942	-3.2203	0.63966	1	2.2009	0.83311	0.9838	4	2.2009	0.88641	0.99076	0	NA	NA	NA
chondroitin sulfate E (GalNAc4,6diS-GlcA), degradation product 4[l]	6	-3.2227	0.95566	0.99999	3.2227	0.077356	0.58717	3.3072	0.83146	0.9838	3	-0.40351	0.97292	0.99076	3	5.0807	0.24552	0.81232
chondroitin sulfate E (GalNAc4,6diS-GlcA), degradation product 5[l]	6	1.8036	0.59393	0.99999	-1.8036	0.45181	1	4.1228	0.74258	0.97978	5	2.7594	0.88559	0.99076	1	3.9287	0.22023	0.79911
chondroitin sulfate E (GalNAc4,6diS-GlcA), degradation product 6[l]	8	0.6443	0.74924	0.99999	-0.6443	0.31215	0.95765	3.348	0.89697	0.98725	5	2.0858	0.92872	0.99076	3	2.7746	0.57897	0.9673
heparan sulfate proteoglycan[l]	2	1.7623	0.46713	0.97124	-1.7623	0.55177	1	2.9726	0.556	0.9571	1	3.4912	0.36449	0.98624	1	0.71271	0.67635	0.9673
[protein]-L-serine[l]	3	1.8634	0.49717	0.98706	-1.8634	0.52794	1	2.482	0.73673	0.97978	2	2.5358	0.6769	0.99076	1	0.71271	0.67635	0.9673
heparan sulfate, free chain[l]	3	1.5982	0.52829	0.99999	-1.5982	0.50027	1	1.9762	0.79562	0.97978	2	1.9163	0.75674	0.99076	1	0.71271	0.67635	0.9673
heparan sulfate, degradation product 1[l];heparan sulfate, degradation product 6[l];heparan sulfate, degradation product 12[l]	2	0.46163	0.61767	0.99999	-0.46163	0.42027	1	-0.93582	0.94839	0.98796	2	-0.93582	0.96296	0.99076	0	NA	NA	NA
heparan sulfate, degradation product 2[l];heparan sulfate, degradation product 7[l];heparan sulfate, degradation product 13[l];heparan sulfate, degradation product 19[l]	2	3.2492	0.30188	0.83851	-3.2492	0.69458	1	2.4867	0.62776	0.97734	2	2.4867	0.68362	0.99076	0	NA	NA	NA
heparan sulfate, degradation product 3[l];heparan sulfate, degradation product 8[l];heparan sulfate, degradation product 14[l];heparan sulfate, degradation product 20[l]	2	2.9887	0.32906	0.85656	-2.9887	0.67094	1	1.1253	0.80079	0.98237	2	1.1253	0.84093	0.99076	0	NA	NA	NA
heparan sulfate, degradation product 4[l]	2	0.65888	0.5954	0.99999	-0.65888	0.44001	1	-1.4836	0.96698	0.98796	2	-1.4836	0.97701	0.99076	0	NA	NA	NA
heparan sulfate, degradation product 5[l]	2	0.84794	0.57376	0.99999	-0.84794	0.45907	1	-0.29103	0.9168	0.98796	2	-0.29103	0.93818	0.99076	0	NA	NA	NA
heparan sulfate, degradation product 9[l]	3	-3.6659	0.94741	0.99999	3.6659	0.084258	0.6175	3.8971	0.53744	0.95676	2	-0.82946	0.95955	0.99076	1	7.923	0.010788	0.26703
heparan sulfate, degradation product 15[l];heparan sulfate, degradation product 21[l]	2	0.25016	0.64112	0.99999	-0.25016	0.39934	1	-2.178	0.98225	0.98987	2	-2.178	0.98812	0.99339	0	NA	NA	NA
hyaluronan biosynthesis, precursor 1[l]	4	-0.20483	0.74913	0.99999	0.20483	0.30236	0.93578	0.21089	0.95747	0.98796	2	-0.32187	0.93961	0.99076	2	0.62011	0.78604	0.9673
keratan sulfate I biosynthesis, precursor 1[g]	9	3.6822	0.43668	0.93894	-3.0064	0.53272	1	9.6008	0.16743	0.63972	5	8.9749	0.11065	0.59222	4	4.367	0.41865	0.95215
keratan sulfate I biosynthesis, precursor 2[g];keratan sulfate I biosynthesis, precursor 3[g];keratan sulfate I biosynthesis, precursor 6[g];keratan sulfate I biosynthesis, precursor 9[g];keratan sulfate I biosynthesis, precursor 12[g];keratan sulfate I biosynthesis, precursor 15[g];keratan sulfate I biosynthesis, precursor 18[g];keratan sulfate I biosynthesis, precursor 21[g];keratan sulfate I biosynthesis, precursor 24[g];keratan sulfate I biosynthesis, precursor 27[g];keratan sulfate I biosynthesis, precursor 30[g];keratan sulfate I biosynthesis, precursor 33[g];keratan sulfate II biosynthesis, precursor 2[g];keratan sulfate II biosynthesis, precursor 3[g];keratan sulfate II biosynthesis, precursor 4[g];keratan sulfate II biosynthesis, precursor 7[g];keratan sulfate II (core 4-linked), biosynthesis, precursor 3[g];keratan sulfate II (core 4-linked), biosynthesis, precursor 4[g];keratan sulfate II (core 4-linked), biosynthesis, precursor 7[g]	11	9.6565	0.034883	0.30869	-9.0398	0.942	1	14.379	0.0068362	0.15268	8	14.027	0.0053542	0.11948	3	4.6276	0.30355	0.85901
keratan sulfate I biosynthesis, precursor 4[g];keratan sulfate I biosynthesis, precursor 7[g];keratan sulfate I biosynthesis, precursor 10[g];keratan sulfate I biosynthesis, precursor 13[g];keratan sulfate I biosynthesis, precursor 16[g];keratan sulfate I biosynthesis, precursor 19[g];keratan sulfate I biosynthesis, precursor 22[g];keratan sulfate I biosynthesis, precursor 25[g];keratan sulfate I biosynthesis, precursor 28[g];keratan sulfate I biosynthesis, precursor 31[g];keratan sulfate I biosynthesis, precursor 34[g];keratan sulfate II biosynthesis, precursor 5[g];keratan sulfate II biosynthesis, precursor 8[g];keratan sulfate II (core 4-linked), biosynthesis, precursor 5[g];keratan sulfate II (core 4-linked), biosynthesis, precursor 8[g]	11	6.3394	0.19819	0.6911	-5.7281	0.76484	1	10.307	0.17657	0.64643	7	10.823	0.068008	0.46064	4	2.7752	0.65666	0.9673
keratan sulfate I biosynthesis, precursor 5[g];keratan sulfate I biosynthesis, precursor 8[g];keratan sulfate I biosynthesis, precursor 11[g];keratan sulfate I biosynthesis, precursor 14[g];keratan sulfate I biosynthesis, precursor 17[g];keratan sulfate I biosynthesis, precursor 20[g];keratan sulfate I biosynthesis, precursor 23[g];keratan sulfate I biosynthesis, precursor 26[g];keratan sulfate I biosynthesis, precursor 29[g];keratan sulfate I biosynthesis, precursor 32[g];keratan sulfate I biosynthesis, precursor 35[g];keratan sulfate II biosynthesis, precursor 6[g];keratan sulfate II biosynthesis, precursor 9[g];keratan sulfate II (core 4-linked), biosynthesis, precursor 6[g];keratan sulfate II (core 4-linked), biosynthesis, precursor 9[g]	8	10.929	0.010112	0.13912	-10.922	0.98506	1	9.5752	0.13042	0.58243	7	11.168	0.052239	0.39377	1	-2.465	0.95272	0.98284
keratan sulfate I biosynthesis, precursor 36[g];keratan sulfate II biosynthesis, precursor 10[g];keratan sulfate II (core 4-linked), biosynthesis, precursor 10[g]	7	6.6682	0.12849	0.55724	-6.6614	0.86478	1	8.4907	0.19856	0.68987	5	8.9541	0.11219	0.59645	2	1.727	0.64522	0.9673
keratan sulfate I[g];keratan sulfate II (core 2-linked)[g];keratan sulfate II (core 4-linked)[g]	3	-1.9133	0.8653	0.99999	1.9133	0.17922	0.81747	1.2529	0.8647	0.98725	1	-0.27215	0.86979	0.99076	2	1.727	0.64522	0.9673
keratan sulfate II biosynthesis, precursor 1[g];keratan sulfate II (core 4-linked), biosynthesis, precursor 1[g]	7	7.6518	0.077655	0.444	-7.645	0.91247	1	8.0823	0.24474	0.75888	5	9.3834	0.083395	0.5106	2	0.28407	0.82131	0.96952
keratan sulfate II (core 4-linked), biosynthesis, precursor 2[g]	10	3.2757	0.50546	0.9898	-2.6346	0.47473	1	9.0079	0.27626	0.7962	5	8.9749	0.11065	0.59222	5	3.7642	0.56933	0.9673
keratan sulfate I, degradation product 3[l]	4	3.1775	0.37992	0.89804	-3.1775	0.63556	1	2.1206	0.84062	0.9838	4	2.1206	0.89231	0.99076	0	NA	NA	NA
keratan sulfate I, degradation product 4[l];keratan sulfate I, degradation product 5[l];keratan sulfate II (core 2-linked)[l];keratan sulfate II (core 2-linked), degradation product 1[l];keratan sulfate II (core 2-linked), degradation product 2[l];core 6[l];keratan sulfate II (core 4-linked)[l];keratan sulfate II (core 4-linked), degradation product 1[l];keratan sulfate II (core 4-linked), degradation product 2[l]	3	3.4127	0.32167	0.85183	-3.4127	0.6828	1	2.6821	0.71125	0.97978	3	2.6821	0.76604	0.99076	0	NA	NA	NA
keratan sulfate I, degradation product 6[l];keratan sulfate I, degradation product 9[l];keratan sulfate I, degradation product 12[l];keratan sulfate I, degradation product 15[l];keratan sulfate I, degradation product 18[l];keratan sulfate I, degradation product 21[l];keratan sulfate I, degradation product 24[l];keratan sulfate I, degradation product 27[l];keratan sulfate I, degradation product 30[l];keratan sulfate I, degradation product 33[l];keratan sulfate I, degradation product 36[l];keratan sulfate II (core 2-linked), degradation product 3[l];keratan sulfate II (core 2-linked), degradation product 6[l];keratan sulfate II (core 4-linked), degradation product 3[l]	7	1.5576	0.64062	0.99999	-1.5576	0.41435	1	1.1307	0.97488	0.98796	5	0.94564	0.97203	0.99076	2	0.62011	0.78604	0.9673
keratan sulfate I, degradation product 7[l];keratan sulfate I, degradation product 10[l];keratan sulfate I, degradation product 13[l];keratan sulfate I, degradation product 16[l];keratan sulfate I, degradation product 19[l];keratan sulfate I, degradation product 22[l];keratan sulfate I, degradation product 25[l];keratan sulfate I, degradation product 28[l];keratan sulfate I, degradation product 31[l];keratan sulfate I, degradation product 34[l];keratan sulfate I, degradation product 37[l];keratan sulfate II (core 2-linked), degradation product 4[l];keratan sulfate II (core 2-linked), degradation product 7[l];keratan sulfate II (core 4-linked), degradation product 4[l]	4	-0.89489	0.80817	0.99999	0.89489	0.24386	0.90218	-0.82699	0.98283	0.98987	2	-1.7897	0.98268	0.99076	2	0.62011	0.78604	0.9673
cocaine[c];benzoate[c];ecgonine-methyl ester[c]	2	1.6743	0.47742	0.97924	-1.6743	0.54288	1	0.69455	0.84339	0.9838	2	0.69455	0.87757	0.99076	0	NA	NA	NA
ecgonine-methyl ester[r]	2	-0.84639	0.75282	0.99999	0.84639	0.29654	0.93502	0.15589	0.88756	0.98725	1	-0.8329	0.91064	0.99076	1	1.0534	0.6283	0.9673
7alpha-hydroxycholest-4-en-3-one[r]	3	0.41217	0.66277	0.99999	-0.41217	0.37839	1	2.2094	0.76949	0.97978	1	2.7272	0.48099	0.99076	2	0.77756	0.76822	0.9673
5beta-cholestan-3alpha,7alpha,12alpha-triol[c];5beta-cholestane-3alpha,7alpha-diol[c]	2	-0.8871	0.75658	0.99999	0.8871	0.29296	0.93502	8.2555	0.030653	0.31813	1	5.1985	0.15524	0.70024	1	6.4766	0.04049	0.43412
5beta-cholestan-3alpha,7alpha,12alpha-triol[m];cholest-5-ene-3beta,7alpha,27-triol[m];5beta-cholestane-3alpha,7alpha,12alpha,27-tetraol[m];5beta-cholestane-3alpha,7alpha,12alpha,27-tetraol[c];5beta-cholestane-3alpha,7alpha,12alpha,27,27-pentaol[c];5beta-cholestane-3alpha,7alpha,12alpha,27,27-pentaol[m]	2	-2.4277	0.87444	0.99999	2.4277	0.17433	0.81747	6.6575	0.10336	0.52605	1	2.9386	0.44815	0.99076	1	6.4766	0.04049	0.43412
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanate[c];3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanate[m]	3	-1.9382	0.86688	0.99999	1.9382	0.17753	0.81747	4.9182	0.38393	0.86369	2	1.4439	0.80961	0.99076	1	6.4766	0.04049	0.43412
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanate[r];3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanate[p];25(R)DHCA-CoA[c];3alpha,7alpha-dihydroxy-5beta-cholestanate[r];25(R)DHCA-CoA[r];3alpha,7alpha-dihydroxy-5beta-cholestanate[p];chenodeoxycholoyl-CoA[r];chenodiol[r];tetraHCA[c];25(R)TetraHCA-CoA[c];3,7,24THCA[c];3,7,24THCA-CoA[c];deoxycholoyl-CoA[r];choloyl-CoA[r]	2	2.2793	0.40739	0.91859	-2.2793	0.60327	1	1.4439	0.76518	0.97978	2	1.4439	0.80961	0.99076	0	NA	NA	NA
25(R)THCA-CoA[r];25(R)THCA-CoA[c]	3	1.5628	0.53244	0.99999	-1.5628	0.49657	1	1.0246	0.88272	0.98725	2	1.4439	0.80961	0.99076	1	-0.26737	0.79731	0.9673
25(R)THCA-CoA[p]	4	3.7281	0.32103	0.85141	-3.7281	0.68698	1	3.191	0.72263	0.97978	3	3.839	0.60874	0.99076	1	-0.26737	0.79731	0.9673
25(R)THCA-CoA[m]	2	2.993	0.3286	0.85656	-2.993	0.67134	1	3.0688	0.5415	0.9571	1	4.6073	0.21682	0.82265	1	-0.26737	0.79731	0.9673
FADH2[p];FAD[p]	2	1.3763	0.51231	0.99798	-1.3763	0.51268	1	0.24476	0.88096	0.98725	2	0.24476	0.90904	0.99076	0	NA	NA	NA
(24R,25R)3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestanoyl-CoA[p]	3	1.1585	0.57941	0.99999	-1.1585	0.45446	1	6.4264	0.19217	0.67873	2	4.5389	0.37954	0.98993	1	4.7118	0.14217	0.65625
3alpha,7alpha,12alpha-trihydroxy-5beta-24-oxocholestanoyl-CoA[p]	5	-2.3736	0.91555	0.99999	2.3736	0.13025	0.74959	3.4821	0.75527	0.97978	3	0.072303	0.95912	0.99076	2	5.4171	0.15176	0.66182
choloyl-CoA[p]	16	14.986	0.00077717	0.025748	-14.655	0.99792	1	15.271	0.013625	0.22554	14	15.763	0.010648	0.17452	2	1.4879	0.6784	0.9673
choloyl-CoA[m]	5	-3.0729	0.94294	0.99999	3.0729	0.095941	0.66517	3.1312	0.79517	0.97978	3	-0.6714	0.97881	0.99076	2	5.7732	0.12218	0.65625
choloyl-CoA[c]	14	15.278	0.00046679	0.017125	-14.924	0.99854	1	17.382	0.0005841	0.044722	12	17.513	0.00054464	0.030794	2	3.0903	0.44224	0.95692
cholate[c]	8	4.8939	0.28599	0.81845	-4.894	0.72929	1	7.2505	0.40804	0.87802	7	5.9964	0.64218	0.99076	1	4.6427	0.14818	0.65625
cholate[m];cholate[p]	3	2.4591	0.42764	0.9312	-2.4591	0.5894	1	1.4813	0.84487	0.9838	3	1.4813	0.88351	0.99076	0	NA	NA	NA
taurine[p]	2	1.5456	0.49248	0.98577	-1.5456	0.52986	1	1.2148	0.79114	0.97978	1	2.2949	0.54832	0.99076	1	-0.57697	0.82903	0.96952
taurine[c]	4	3.3039	0.36609	0.88312	-3.3039	0.64763	1	3.6651	0.65934	0.97978	2	5.32	0.2725	0.90809	2	-0.13675	0.85997	0.96952
taurocholate[c]	10	4.4428	0.37107	0.88906	-4.4428	0.65906	1	6.103	0.69643	0.97978	8	5.4036	0.78781	0.99076	2	2.8397	0.48002	0.9652
glycocholate[c]	9	4.093	0.39	0.91149	-4.0931	0.6417	1	5.9573	0.66622	0.97978	7	5.2371	0.74413	0.99076	2	2.8397	0.48002	0.9652
5beta-cholestane-3alpha,7alpha,26-triol[c]	9	-5.2855	0.99302	0.99999	5.2855	0.019638	0.28736	11.265	0.054671	0.3962	3	5.3425	0.37884	0.98993	6	10.019	0.020629	0.32835
3alpha,7alpha-dihydroxy-5beta-cholestanate[m]	5	-5.4236	0.98828	0.99999	5.4236	0.028098	0.35596	5.6779	0.44307	0.9064	2	-0.1321	0.93042	0.99076	3	7.438	0.055209	0.50793
3alpha,7alpha-dihydroxy-5beta-cholestanate[c]	11	0.30918	0.81772	0.99999	-0.30918	0.25187	0.90708	6.8213	0.65074	0.97978	7	4.0438	0.86753	0.99076	4	5.9624	0.20741	0.77426
25(R)DHCA-CoA[p]	3	4.6031	0.208	0.70849	-4.6031	0.78439	1	3.839	0.54623	0.9571	3	3.839	0.60874	0.99076	0	NA	NA	NA
25(S)DHCA-CoA[p]	2	2.2973	0.40535	0.91859	-2.2973	0.60503	1	4.0428	0.39482	0.87322	1	4.6073	0.21682	0.82265	1	1.1102	0.62006	0.9673
3alpha,7alpha-dihydroxy-5beta-cholest-24-enoyl-CoA[p]	2	-4.4913	0.96024	0.99999	4.4913	0.071756	0.55736	4.1167	0.38402	0.86369	0	NA	NA	NA	2	4.1167	0.2963	0.85186
(24R,25R)3alpha,7alpha,24-trihydroxy-5beta-cholestanoyl-CoA[p]	2	-0.071893	0.67581	0.99999	0.071893	0.36802	1	6.5895	0.10809	0.5321	1	4.6073	0.21682	0.82265	1	4.7118	0.14217	0.65625
3alpha,7alpha-dihydroxy-24-oxo-5beta-cholestanoyl coa[p]	4	-3.7079	0.95392	0.99999	3.7079	0.078872	0.59172	2.9872	0.74794	0.97978	2	-1.1926	0.97024	0.99076	2	5.4171	0.15176	0.66182
chenodeoxycholoyl-CoA[p]	9	-1.4325	0.90882	0.99999	1.4325	0.14336	0.75377	3.4643	0.9167	0.98796	5	0.94198	0.97212	0.99076	4	4.1433	0.45231	0.95692
chenodeoxycholoyl-CoA[c]	8	0.52696	0.75998	0.99999	-0.52696	0.30148	0.93578	3.9501	0.84933	0.98551	5	2.6095	0.89651	0.99076	3	3.0816	0.5323	0.9673
chenodiol[c]	16	3.4094	0.59304	0.99999	-3.4094	0.47886	1	7.5582	0.77182	0.97978	11	6.2523	0.83154	0.99076	5	4.2469	0.49618	0.96722
glycochenodeoxycholate[c]	6	4.6566	0.27632	0.80696	-4.6567	0.7317	1	3.299	0.83225	0.9838	5	3.8942	0.77648	0.99076	1	-0.6268	0.83383	0.96952
taurochenodeoxycholate[c]	10	4.8601	0.32579	0.85656	-4.8601	0.69816	1	6.5616	0.63278	0.97749	8	5.9162	0.72562	0.99076	2	2.8397	0.48002	0.9652
sulfochenodeoxycholate[c]	4	-1.8939	0.87695	0.99999	1.8939	0.17126	0.81732	1.9707	0.85404	0.98629	2	-0.15385	0.93153	0.99076	2	2.9408	0.46473	0.96094
24-hydroxycholesterol[c]	2	-0.86348	0.7544	0.99999	0.86348	0.29504	0.93502	0.014813	0.89749	0.98725	1	-0.99517	0.92046	0.99076	1	1.0161	0.63367	0.9673
cholest-5-ene-3beta,7alpha,24(S)-triol[c]	2	1.0788	0.54704	0.99999	-1.0788	0.48246	1	2.6469	0.60445	0.97734	1	2.7272	0.48099	0.99076	1	1.0161	0.63367	0.9673
4-cholesten-7alpha,24(S)-diol-3-one[c];4-cholesten-7alpha,27-diol-3-one[c]	3	1.0149	0.59587	0.99999	-1.0149	0.4396	1	1.4198	0.85039	0.98551	1	2.7272	0.48099	0.99076	2	-0.18957	0.86439	0.96952
4-cholesten-7alpha,12alpha,24(S)-triol-3-one[c];4-cholesten-7alpha,12alpha,27-triol-3-one[c]	2	-0.84194	0.7524	0.99999	0.84194	0.29693	0.93502	-0.18957	0.91073	0.98725	0	NA	NA	NA	2	-0.18957	0.86439	0.96952
cholest-5-ene-3beta,7alpha,27-triol[c]	4	1.3901	0.58349	0.99999	-1.3901	0.45617	1	7.6029	0.13912	0.59899	3	5.0398	0.42433	0.99076	1	6.4766	0.04049	0.43412
25-hydroxycholesterol[r]	2	1.1461	0.5392	0.99999	-1.1461	0.4893	1	3.0718	0.54104	0.9571	1	3.0634	0.42891	0.99076	1	1.2808	0.595	0.9673
20-hydroxycholesterol[r]	2	-2.3774	0.87136	0.99999	2.3774	0.17765	0.81747	1.8723	0.71223	0.97978	0	NA	NA	NA	2	1.8723	0.62447	0.9673
26-hydroxycholesterol[m];26-hydroxycholesterol[c]	3	-2.9315	0.91986	0.99999	2.9315	0.11805	0.71797	6.1753	0.21939	0.7214	1	2.9386	0.44815	0.99076	2	5.4853	0.14576	0.65625
5beta-cholestane-3alpha,7alpha,12alpha,24s,25-pentol[r]	24	3.9694	0.63954	0.99999	-3.9693	0.44898	1	10.679	0.64073	0.97967	15	9.0182	0.6787	0.99076	9	5.797	0.49857	0.96722
3alpha,12alpha-dihydroxy-5beta-cholanate[c];3alpha,12alpha-dihydroxy-5beta-cholanate[r]	3	1.5628	0.53244	0.99999	-1.5628	0.49657	1	1.0246	0.88272	0.98725	2	1.4439	0.80961	0.99076	1	-0.26737	0.79731	0.9673
cholate[r]	2	2.2793	0.40739	0.91859	-2.2793	0.60327	1	1.4439	0.76518	0.97978	2	1.4439	0.80961	0.99076	0	NA	NA	NA
deoxycholoyl-CoA[c]	3	3.3315	0.33028	0.85656	-3.3315	0.67519	1	2.5039	0.73399	0.97978	3	2.5039	0.78672	0.99076	0	NA	NA	NA
lithocholate[c]	3	-1.5898	0.84357	0.99999	1.5898	0.20224	0.83405	3.8511	0.5444	0.9571	1	2.2949	0.54832	0.99076	2	3.0938	0.44171	0.95692
taurolithocholate[c]	4	-0.73235	0.79509	0.99999	0.73235	0.25707	0.90708	3.5814	0.67092	0.97978	2	2.124	0.73122	0.99076	2	2.9408	0.46473	0.96094
sulfotaurolithocholate[c]	3	-1.2117	0.8154	0.99999	1.2117	0.23126	0.88301	4.0626	0.51233	0.9497	1	2.8777	0.45758	0.99076	2	2.9408	0.46473	0.96094
glycolithocholate[c]	5	-0.55494	0.80087	0.99999	0.55494	0.25542	0.90708	2.7889	0.8301	0.9838	3	1.1993	0.9036	0.99076	2	2.9408	0.46473	0.96094
sulfoglycolithocholate[c]	3	-2.8664	0.91696	0.99999	2.8664	0.12145	0.72528	1.8663	0.80729	0.98315	1	-0.92644	0.91641	0.99076	2	2.9408	0.46473	0.96094
hypotaurine[c]	3	2.8026	0.3884	0.91149	-2.8026	0.62396	1	2.9932	0.66947	0.97978	2	3.3947	0.552	0.99076	1	0.38357	0.72015	0.9673
cysteamine[c]	3	0.72507	0.62852	0.99999	-0.72507	0.40989	1	3.1712	0.64454	0.97967	2	2.0994	0.7343	0.99076	1	2.5236	0.4073	0.94135
cholate[s]	5	4.2855	0.28483	0.81693	-4.2856	0.72147	1	8.0239	0.15042	0.61319	4	6.6496	0.30021	0.93225	1	4.6427	0.14818	0.65625
chenodiol[s]	6	5.0328	0.24089	0.75751	-5.0328	0.76282	1	8.3571	0.17081	0.63999	5	7.0785	0.31464	0.93291	1	4.6427	0.14818	0.65625
glycocholate[s]	8	3.4409	0.4435	0.94754	-3.4409	0.59267	1	5.5073	0.66863	0.97978	6	4.7198	0.74593	0.99076	2	2.8397	0.48002	0.9652
Na+[s]	87	8.5189	0.65858	0.99999	-5.5397	0.21831	0.862	27.192	0.026756	0.30818	50	23.535	0.026816	0.24989	37	14.337	0.14785	0.65625
Na+[c]	89	9.1315	0.59941	0.99999	-6.186	0.26747	0.90708	27.527	0.023655	0.28929	52	23.919	0.026149	0.24638	37	14.337	0.14785	0.65625
taurocholate[s]	9	3.8341	0.41928	0.9301	-3.8342	0.61642	1	5.6682	0.70543	0.97978	7	4.9093	0.78293	0.99076	2	2.8397	0.48002	0.9652
taurochenodeoxycholate[s]	9	4.274	0.36989	0.88865	-4.2741	0.65902	1	6.1516	0.63877	0.97967	7	5.4573	0.71616	0.99076	2	2.8397	0.48002	0.9652
glycochenodeoxycholate[s]	5	3.9621	0.31772	0.85027	-3.9622	0.69288	1	2.5876	0.84875	0.98551	4	3.2064	0.79284	0.99076	1	-0.6268	0.83383	0.96952
HCO3-[s]	23	4.5339	0.5647	0.99999	-4.5056	0.51539	1	11.56	0.46846	0.92176	15	9.4823	0.6122	0.99076	8	6.6163	0.32412	0.888
glutathionyl-leukotriene C4[c];glutathionyl-leukotriene C4[s];S-glutathionyl-2-4-dinitrobenzene[c];S-glutathionyl-2-4-dinitrobenzene[s];S-glutathionyl-ethacrynic acid[c];S-glutathionyl-ethacrynic acid[s]	4	1.5849	0.56141	0.99999	-1.5849	0.47595	1	5.9062	0.3299	0.84735	3	4.1395	0.56325	0.99076	1	4.6427	0.14818	0.65625
ADP[r]	10	4.587	0.35518	0.87725	-4.587	0.67279	1	6.6659	0.6177	0.97734	7	6.0609	0.63288	0.99076	3	2.912	0.55817	0.9673
bilirubin-bisglucuronoside[s];bilirubin-bisglucuronoside[c]	2	7.2677	0.044683	0.35128	-7.2677	0.9373	1	7.0504	0.078933	0.46114	2	7.0504	0.10262	0.5786	0	NA	NA	NA
bilirubin-monoglucuronoside[r]	2	7.2677	0.044683	0.35128	-7.2677	0.9373	1	7.0504	0.078933	0.46114	2	7.0504	0.10262	0.5786	0	NA	NA	NA
bilirubin-monoglucuronoside[s]	3	8.1473	0.031696	0.29377	-8.1473	0.95679	1	7.8694	0.077826	0.46114	3	7.8694	0.098353	0.55976	0	NA	NA	NA
lc4Cer[g]	8	8.7086	0.046893	0.3606	-8.7054	0.94494	1	10.006	0.098556	0.51878	6	10.577	0.053901	0.40271	2	1.6934	0.64996	0.9673
type I A glycolipid[g]	4	6.898	0.083657	0.45754	-6.8979	0.90272	1	5.9801	0.31981	0.83848	4	5.9801	0.39618	0.99076	0	NA	NA	NA
glycolipid[g]	4	10.733	0.0064024	0.1025	-10.615	0.98768	1	10.084	0.021366	0.27666	4	10.084	0.031401	0.28177	0	NA	NA	NA
lc3Cer[g]	3	9.0542	0.016862	0.20011	-7.8837	0.95008	1	8.2808	0.057438	0.40484	2	11.045	0.0026053	0.075946	1	-1.277	0.88836	0.97155
lactoneotetraosylceramide[g]	6	6.8314	0.1098	0.52118	-5.9039	0.82666	1	14.634	0.00043999	0.035754	3	15.299	1.4599e-05	0.0050117	3	5.3971	0.20883	0.77549
nLc5Cer[g];nLc7Cer[g]	2	4.7977	0.16513	0.63498	-3.3641	0.70476	1	9.4963	0.009542	0.18671	1	10.17	0.0015459	0.053507	1	3.2603	0.30294	0.85901
type II H glycolipid[g];VI2Fuc-nLc6[g]	4	7.6417	0.055265	0.38467	-7.5194	0.92731	1	9.0804	0.049962	0.37807	3	9.5174	0.026694	0.24989	1	1.676	0.53562	0.9673
acgalfuc12gal14acglcgalgluside heparan sulfate[g];acgalfucgalacglcgal14acglcgalgluside heparan sulfate[g]	2	7.7868	0.032074	0.29508	-6.3533	0.90313	1	7.3011	0.065807	0.43631	2	7.3011	0.086509	0.51844	0	NA	NA	NA
nLc6Cer[g]	6	1.8903	0.5841	0.99999	-1.7904	0.45046	1	11.111	0.023135	0.28691	2	11.546	0.0014159	0.053365	4	5.4432	0.26866	0.83213
nLc8Cer[g]	2	13.21	0.00028727	0.012647	-11.61	0.99584	1	13.105	0.00010024	0.012609	2	13.105	0.00017094	0.016106	0	NA	NA	NA
G00077[g]	2	5.9188	0.09633	0.4917	-4.4853	0.79496	1	8.2787	0.030046	0.31813	1	10.17	0.0015459	0.053507	1	1.5383	0.55648	0.9673
acngalacglcgalgluside heparan sulfate[g]	3	4.338	0.23107	0.75027	-4.3378	0.76352	1	5.1114	0.35615	0.85452	2	5.7519	0.22054	0.82742	1	0.71873	0.67553	0.9673
sialyl-3-paragloboside[g]	2	2.7476	0.35504	0.87725	-2.581	0.63257	1	9.0337	0.015091	0.22713	1	8.3639	0.012153	0.18681	1	4.4117	0.16954	0.6884
ferricytochrome B5[c];ferrocytochrome B5[c]	5	-1.2789	0.85454	0.99999	1.2789	0.19942	0.83212	0.7948	0.95658	0.98796	3	-0.88647	0.98271	0.99076	2	2.3424	0.55517	0.9673
nicotinate ribonucleotide[c]	16	10.591	0.030478	0.29091	-10.591	0.96491	1	9.1827	0.54892	0.9571	14	10.244	0.43388	0.99076	2	-1.1293	0.92746	0.97581
nicotinate[c]	2	3.7835	0.24957	0.77103	-3.7835	0.74053	1	3.3324	0.50152	0.94706	2	3.3324	0.56141	0.99076	0	NA	NA	NA
deamido-NAD[c]	7	5.3223	0.2296	0.74876	-5.3223	0.77521	1	4.2021	0.78452	0.97978	5	5.6862	0.52423	0.99076	2	-1.1293	0.92746	0.97581
nicotinamide D-ribonucleotide[c]	10	4.7931	0.33291	0.85656	-4.7931	0.69201	1	5.0311	0.82202	0.9838	8	5.0834	0.82206	0.99076	2	1.0831	0.73137	0.9673
nicotinamide[c]	25	1.0207	0.89014	0.99999	-0.94271	0.18109	0.81747	7.1613	0.96315	0.98796	13	5.8361	0.92012	0.99076	12	4.262	0.81923	0.96952
nicotinamide ribonucleoside[c]	9	5.3068	0.26318	0.79656	-5.3068	0.75071	1	5.4439	0.73431	0.97978	8	5.1733	0.81281	0.99076	1	1.6992	0.5321	0.9673
nicotinamide D-ribonucleotide[m]	3	3.7566	0.2863	0.81845	-3.7566	0.71415	1	2.3957	0.74736	0.97978	2	3.945	0.46827	0.99076	1	-1.4296	0.89905	0.97155
deamido-NAD[n]	2	0.43703	0.62042	0.99999	-0.43703	0.41783	1	-0.96699	0.94964	0.98796	1	0.062091	0.84006	0.99076	1	-1.4296	0.89905	0.97155
NAD+[n]	4	3.9176	0.30168	0.83851	-3.9176	0.70392	1	2.7405	0.77688	0.97978	3	3.9898	0.58605	0.99076	1	-1.4296	0.89905	0.97155
NAD+[s];ADP-ribose[s];nicotinamide[s];ADP-ribose-2-phosphate[c];NADP+[s];ADP-ribose-2-phosphate[s]	2	-2.416	0.87373	0.99999	2.416	0.1751	0.81747	4.6528	0.30885	0.82908	1	1.4786	0.67027	0.99076	1	5.1015	0.11132	0.64007
1-methylnicotinamide[c]	2	-4.4273	0.9586	0.99999	4.4273	0.074013	0.56718	4.0715	0.39063	0.86855	0	NA	NA	NA	2	4.0715	0.30227	0.85901
dephospho-CoA[c]	3	8.0215	0.034422	0.3077	-8.0215	0.95369	1	7.7524	0.084521	0.48013	3	7.7524	0.10647	0.58614	0	NA	NA	NA
pantetheine[c]	8	3.9847	0.38192	0.89929	-3.9847	0.64625	1	4.8819	0.7505	0.97978	7	4.2651	0.84843	0.99076	1	2.5236	0.4073	0.94135
phosphopantetheine[c]	8	7.2552	0.10517	0.51248	-7.2552	0.88917	1	6.095	0.58343	0.97335	8	6.095	0.702	0.99076	0	NA	NA	NA
pantetheine[m];N-pantothenoylcysteine[m]	4	3.1608	0.38175	0.89929	-3.1608	0.63396	1	2.2591	0.82753	0.9838	4	2.2591	0.88199	0.99076	0	NA	NA	NA
phosphopantetheine[m]	6	5.3427	0.21368	0.72085	-5.3427	0.78689	1	4.1501	0.73924	0.97978	6	4.1501	0.81125	0.99076	0	NA	NA	NA
N-pantothenoylcysteine[c]	6	4.2649	0.31574	0.84899	-4.2649	0.69724	1	3.2201	0.83963	0.9838	6	3.2201	0.89306	0.99076	0	NA	NA	NA
pantothenate[c]	7	5.886	0.18275	0.66494	-5.8036	0.8107	1	7.0999	0.37571	0.85827	6	6.6385	0.46737	0.99076	1	2.5236	0.4073	0.94135
D-4-phosphopantothenate[c]	5	3.7662	0.33837	0.85825	-3.7662	0.67496	1	2.8267	0.82645	0.9838	5	2.8267	0.88043	0.99076	0	NA	NA	NA
(R)-4-phosphopantothenoyl-cysteine[c]	6	3.5628	0.39165	0.91149	-3.5628	0.63104	1	2.2919	0.91055	0.98725	6	2.2919	0.94549	0.99076	0	NA	NA	NA
(R)-4-phosphopantothenoyl-cysteine[m]	5	2.9637	0.42755	0.9312	-2.9637	0.59766	1	1.7046	0.91412	0.98725	5	1.7046	0.94686	0.99076	0	NA	NA	NA
inositol-1-phosphate[c]	21	0.39056	0.90262	0.99999	-0.39056	0.16442	0.80999	9.7439	0.66018	0.97978	12	6.7333	0.82126	0.99076	9	7.1091	0.30693	0.8667
1-phosphatidyl-1D-myo-inositol-3-phosphate[c]	34	4.2041	0.71824	0.99999	-4.2041	0.38938	1	12.851	0.63235	0.97749	23	9.7741	0.8614	0.99076	11	8.4607	0.21395	0.78632
1-phosphatidyl-myo-inositol-3,5-bisphosphate[c]	26	3.9476	0.6609	0.99999	-3.9476	0.43314	1	11.402	0.60212	0.97734	19	8.113	0.90017	0.99076	7	8.6082	0.090248	0.6069
1-phosphatidyl-1D-myo-inositol-4-phosphate[c]	57	3.9109	0.88057	0.99999	-3.8628	0.22337	0.8664	15.776	0.79008	0.97978	33	12.644	0.82878	0.99076	24	9.4858	0.48125	0.9652
1-phosphatidyl-1D-myo-inositol-3,4-bisphosphate[c]	35	4.2731	0.71672	0.99999	-4.2731	0.38906	1	13.733	0.54334	0.9571	23	10.379	0.80321	0.99076	12	9.0845	0.17553	0.6942
phosphatidylinositol-4,5-bisphosphate[c]	40	0.034897	0.97269	0.99999	0.022555	0.071506	0.55736	11.603	0.90451	0.98725	20	8.0214	0.92582	0.99076	20	8.3876	0.52193	0.9673
1-phosphatidyl-1D-myo-inositol-5-phosphate[c]	35	4.6428	0.67905	0.99999	-4.6428	0.4262	1	12.551	0.71413	0.97978	24	9.5973	0.89778	0.99076	11	8.2118	0.24237	0.81031
phosphatidylinositol-3,4,5-trisphosphate[c]	39	1.3718	0.9342	0.99999	-1.3718	0.13894	0.75377	14.107	0.59997	0.97734	23	9.5948	0.87613	0.99076	16	10.52	0.1377	0.65625
phosphatidylinositol-3,5-bisphosphate[c]	30	3.8328	0.71862	0.99999	-3.8328	0.38219	1	12.643	0.54644	0.9571	20	9.5164	0.80633	0.99076	10	8.4402	0.17869	0.70146
D-myo-inositol-1,4,5-trisphosphate[c]	23	-1.2121	0.96551	0.99999	1.521	0.068386	0.55509	12.288	0.36082	0.85452	10	8.7595	0.43158	0.99076	13	8.6616	0.25298	0.81989
1D-myo-inositol-1,4-bisphosphate[c]	19	-4.3573	0.99548	0.99999	4.3573	0.016413	0.26275	8.8574	0.70955	0.97978	7	4.199	0.85432	0.99076	12	7.9383	0.31064	0.87199
1D-myo-inositol-4-phosphate[c]	4	2.1013	0.50212	0.9894	-2.1013	0.52855	1	3.0885	0.73551	0.97978	3	2.7894	0.75305	0.99076	1	1.3455	0.58539	0.9673
1D-myo-inositol-1,3,4,5-tetrakisphosphate[c]	9	-2.1074	0.93705	0.99999	2.6012	0.085748	0.61886	11.238	0.055823	0.40099	3	8.0961	0.083928	0.51184	6	8.0393	0.099952	0.61875
1D-myo-inositol-1,3,4-trisphosphate[c]	6	-6.4938	0.99604	0.99999	6.4938	0.01159	0.20924	6.8604	0.35027	0.85452	1	0.84301	0.75467	0.99076	5	7.1382	0.13284	0.65625
1D-myo-inositol-1,3,4,6-tetrakisphosphate[c]	2	-0.024041	0.67074	0.99999	0.024041	0.37263	1	4.8489	0.28305	0.79884	1	3.4109	0.37635	0.98993	1	3.4465	0.27855	0.83274
1D-myo-inositol-1,3,4,5,6-pentakisphosphate[c]	7	1.9697	0.59472	0.99999	-1.9697	0.45624	1	4.6147	0.73575	0.97978	5	3.6038	0.80887	0.99076	2	2.9352	0.46558	0.96094
1D-myo-inositol-3,4-bisphosphate[c]	3	2.4897	0.4241	0.9312	-2.4897	0.59251	1	3.8696	0.54161	0.9571	2	3.7878	0.49221	0.99076	1	1.3455	0.58539	0.9673
1D-myo-inositol-3-phosphate[c]	6	7.0215	0.099747	0.50331	-7.0215	0.89076	1	6.2645	0.43679	0.90068	6	6.2645	0.52514	0.99076	0	NA	NA	NA
myo-inositol-hexakisphosphate[c]	8	3.2224	0.46871	0.97138	-3.2224	0.57057	1	2.794	0.93017	0.98796	7	2.7206	0.94775	0.99076	1	0.70445	0.67749	0.9673
ATP[g]	11	9.3571	0.042147	0.34355	-9.3571	0.95085	1	11.204	0.10255	0.52345	9	11.097	0.10481	0.58472	2	2.7344	0.49596	0.96722
PI pool[g]	5	0.47051	0.70724	0.99999	-0.47051	0.34685	1	4.5033	0.6191	0.97734	2	4.3519	0.40704	0.99076	3	2.2605	0.65439	0.9673
1-phosphatidyl-1D-myo-inositol-5-phosphate[g]	6	0.51449	0.73017	0.99999	-0.51449	0.32455	0.97551	3.7131	0.78999	0.97978	3	2.9906	0.7277	0.99076	3	2.2605	0.65439	0.9673
ADP[g]	5	0.87893	0.66498	0.99999	-0.87893	0.38636	1	4.0459	0.68329	0.97978	3	2.9906	0.7277	0.99076	2	2.7344	0.49596	0.96722
1-phosphatidyl-1D-myo-inositol-5-phosphate[r]	9	1.1741	0.71657	0.99999	-1.1741	0.3477	1	3.7189	0.90074	0.98725	5	2.7123	0.88911	0.99076	4	2.546	0.68828	0.9673
5-pp-inspP5[c]	7	2.8843	0.48899	0.98577	-2.8843	0.55027	1	2.5751	0.92036	0.98796	6	2.4939	0.93629	0.99076	1	0.70445	0.67749	0.9673
5-pp-inspP5[n];myo-inositol-hexakisphosphate[n];1D-myo-inositol-bisdiphosphate-tetrakisphosphate[c];1D-myo-inositol-bisdiphosphate-tetrakisphosphate[n]	4	1.881	0.5275	0.99999	-1.881	0.50611	1	2.1312	0.83964	0.9838	3	2.0542	0.83397	0.99076	1	0.70445	0.67749	0.9673
Pi[n]	5	1.3671	0.61163	0.99999	-1.3671	0.43514	1	1.9278	0.90004	0.98725	3	2.0542	0.83397	0.99076	2	0.53225	0.79564	0.9673
1D-myo-inositol-1,3,4,5,6-pentakisphosphate[n]	5	3.2904	0.39052	0.91149	-3.2904	0.62979	1	3.4316	0.76125	0.97978	4	3.4845	0.76056	0.99076	1	0.70445	0.67749	0.9673
D-myo-inositol-1,4,5-trisphosphate[n]	2	5.0663	0.1463	0.59498	-5.0663	0.83441	1	4.8043	0.28883	0.8048	2	4.8043	0.34159	0.9672	0	NA	NA	NA
phosphatidylinositol-4,5-bisphosphate[n]	2	2.0253	0.43657	0.93894	-2.0253	0.57813	1	2.4265	0.63639	0.97967	1	3.3834	0.38045	0.98993	1	0.048269	0.76159	0.9673
phosphatidylinositol-3,5-bisphosphate[r];1-phosphatidyl-1D-myo-inositol-3-phosphate[r]	3	1.3059	0.56238	0.99999	-1.3059	0.46978	1	1.1903	0.86982	0.98725	2	0.62568	0.88283	0.99076	1	1.1768	0.61033	0.9673
dihydrofolate[m]	3	5.094	0.16907	0.64584	-5.094	0.82005	1	4.1224	0.50324	0.94782	3	4.1224	0.56586	0.99076	0	NA	NA	NA
formate[m]	4	3.3701	0.35891	0.88109	-3.3702	0.65389	1	8.606	0.071442	0.44772	2	8.7498	0.027658	0.25493	2	3.4209	0.39325	0.92837
10-formyl-THF[m]	4	7.2475	0.069186	0.41794	-7.2475	0.91721	1	6.9477	0.2017	0.69278	3	8.3098	0.07184	0.46862	1	-0.49765	0.82122	0.96952
5,10-methenyl-THF[m]	5	5.9917	0.14306	0.58587	-5.9917	0.84754	1	6.2029	0.36591	0.85452	3	8.147	0.080915	0.4976	2	-0.17032	0.86279	0.96952
folate[c]	3	0.61683	0.6405	0.99999	-0.61683	0.39892	1	6.0373	0.23525	0.74938	2	3.6214	0.51758	0.99076	1	5.3356	0.095264	0.60846
folate[m]	2	4.6162	0.1787	0.65973	-4.6162	0.80431	1	3.6214	0.45769	0.91799	2	3.6214	0.51758	0.99076	0	NA	NA	NA
cPMP[c]	2	-5.5751	0.98085	0.99999	5.5751	0.041026	0.43261	5.2389	0.23505	0.74938	0	NA	NA	NA	2	5.2389	0.16822	0.68735
molybdopterin[c]	2	-0.78811	0.74738	0.99999	0.78811	0.30169	0.93578	0.69739	0.84313	0.9838	1	-0.27456	0.86999	0.99076	1	1.2608	0.59796	0.9673
THF[s]	2	-0.87387	0.75536	0.99999	0.87387	0.29412	0.93502	6.6474	0.10405	0.52653	1	4.0653	0.284	0.91049	1	5.3356	0.095264	0.60846
biotin[c]	4	6.2287	0.11752	0.53589	-6.1198	0.86398	1	8.7172	0.065863	0.43631	3	8.5602	0.059426	0.4325	1	2.6075	0.39491	0.92837
biotin[s]	3	5.1423	0.16551	0.63498	-5.0166	0.81469	1	8.1236	0.064666	0.43631	2	8.1056	0.04745	0.37144	1	2.6075	0.39491	0.92837
lysine[s]	14	5.1405	0.3645	0.88311	-4.774	0.63892	1	7.8082	0.65839	0.97978	12	5.9937	0.88636	0.99076	2	5.977	0.10721	0.62665
apoC-lys_btn[c]	3	-0.44633	0.74943	0.99999	0.44633	0.29653	0.93502	4.7239	0.41251	0.88145	2	2.3593	0.70074	0.99076	1	4.8453	0.131	0.65625
carboxybiotin-carboxyl-carrier[c]	2	-3.0573	0.90864	0.99999	3.0573	0.1362	0.75377	3.4069	0.49019	0.93727	1	-0.027186	0.8484	0.99076	1	4.8453	0.131	0.65625
6-[(1S,2R)-1,2-dihydroxy-3-triphosphooxypropyl]-7,8-dihydropterin[c]	5	-1.7636	0.88447	0.99999	1.7636	0.16644	0.80999	5.814	0.42273	0.88622	3	2.2135	0.81807	0.99076	2	6.4818	0.075896	0.57891
6-[(1S,2R)-1,2-dihydroxy-3-triphosphooxypropyl]-7,8-dihydropterin[n]	2	3.7025	0.25718	0.79038	-3.7025	0.7338	1	3.2635	0.51198	0.9497	2	3.2635	0.57177	0.99076	0	NA	NA	NA
6-pyruvoyltetrahydropterin[c];6-pyruvoyltetrahydropterin[n]	2	5.8364	0.10053	0.50408	-5.8364	0.87858	1	5.6066	0.19424	0.68273	2	5.6066	0.23736	0.85108	0	NA	NA	NA
O2-4a-cyclic-tetrahydrobiopterin[c];4alpha-hydroxytetrahydrobiopterin[n];O2-4a-cyclic-tetrahydrobiopterin[n];quinonoid dihydrobiopterin[c];quinonoid dihydrobiopterin[n]	2	2.0384	0.43505	0.93888	-2.0384	0.57943	1	1.4402	0.76562	0.97978	2	1.4402	0.81	0.99076	0	NA	NA	NA
dihydroneopterin[c]	3	-5.2999	0.98218	0.99999	5.2999	0.035567	0.39811	4.8412	0.3952	0.87322	1	-0.78153	0.90735	0.99076	2	6.4818	0.075896	0.57891
Fe2+[s]	8	-0.41111	0.8363	0.99999	0.41118	0.2227	0.8664	10.898	0.051357	0.3816	4	7.3928	0.20809	0.81349	4	8.0193	0.054582	0.50541
Fe3+[s]	7	2.5357	0.5296	0.99999	-2.5356	0.51447	1	9.105	0.13988	0.60079	4	7.6877	0.17675	0.75071	3	5.0311	0.25156	0.81713
porphobilinogen[c]	2	2.2214	0.414	0.92484	-2.2214	0.59757	1	4.328	0.35368	0.85452	1	4.736	0.20233	0.81349	1	1.3847	0.57954	0.9673
hydroxymethylbilane[c]	2	4.1973	0.21262	0.71868	-4.1973	0.77349	1	3.7431	0.43935	0.90491	2	3.7431	0.49902	0.99076	0	NA	NA	NA
uroporphyrinogen III[c]	2	0.36833	0.62808	0.99999	-0.36833	0.41101	1	0.23516	0.88169	0.98725	1	0.5575	0.78841	0.99076	1	-0.22493	0.7927	0.9673
coproporphyrinogen III[c]	2	2.8395	0.34505	0.86079	-2.8395	0.65708	1	2.9579	0.55821	0.95884	1	4.408	0.24038	0.85649	1	-0.22493	0.7927	0.9673
protoporphyrinogen IX[c]	3	7.1074	0.060521	0.39878	-7.1074	0.92542	1	6.6617	0.16863	0.63972	3	6.6617	0.2057	0.81349	0	NA	NA	NA
protoporphyrinogen IX[m];protoporphyrin[c]	2	5.4833	0.12002	0.53992	-5.4833	0.85947	1	5.0419	0.25871	0.77413	2	5.0419	0.3089	0.9323	0	NA	NA	NA
protoporphyrin[m]	3	6.0474	0.10778	0.51948	-6.0474	0.87801	1	5.5497	0.29604	0.8133	3	5.5497	0.3486	0.97794	0	NA	NA	NA
Fe2+[m]	3	1.3428	0.55809	0.99999	-1.3428	0.47363	1	2.6324	0.71769	0.97978	2	2.3203	0.7059	0.99076	1	1.2781	0.59541	0.9673
heme[m]	3	7.2641	0.055187	0.38467	-7.2641	0.93103	1	6.9467	0.14271	0.60294	3	6.9467	0.17561	0.75071	0	NA	NA	NA
hemoglobin[c];globin[c]	2	-0.5341	0.72297	0.99999	0.5341	0.32462	0.97551	2.2081	0.66714	0.97978	1	1.1292	0.71814	0.99076	1	1.9935	0.48727	0.96722
biliverdin[c]	4	0.10846	0.71946	0.99999	-0.10846	0.33085	0.97846	1.2243	0.90943	0.98725	3	0.26278	0.95219	0.99076	1	1.9935	0.48727	0.96722
Fe3+[c]	4	0.033776	0.72668	0.99999	-0.033776	0.32396	0.97551	1.9634	0.85467	0.98629	2	1.4904	0.80475	0.99076	2	1.2863	0.70532	0.9673
bilirubin[c]	3	-2.2007	0.88278	0.99999	2.2007	0.16023	0.8018	2.2913	0.75989	0.97978	2	-0.47661	0.94637	0.99076	1	4.6427	0.14818	0.65625
ascorbate[s]	3	-5.2992	0.98218	0.99999	5.2992	0.035582	0.39811	4.3289	0.47188	0.92489	0	NA	NA	NA	3	4.3289	0.34488	0.90068
dehydroascorbic acid[s]	4	0.77158	0.65158	0.99999	1.792	0.17796	0.81747	12.388	0.0018604	0.080058	2	9.0607	0.020915	0.22492	2	8.4585	0.014486	0.29094
retinol[c]	38	-1.394	0.98946	0.99999	3.5133	0.0093022	0.18615	12.947	0.73597	0.97978	20	7.3045	0.95764	0.99076	18	11.112	0.12219	0.65625
retinal[c]	22	-3.7247	0.99416	0.99999	6.5099	0.0029309	0.081926	12.778	0.26506	0.77831	9	6.9808	0.63173	0.99076	13	10.814	0.069116	0.57393
retinol[r]	17	-2.5028	0.97726	0.99999	2.5028	0.054642	0.50575	10.572	0.37244	0.85654	7	6.4667	0.5728	0.99076	10	8.3736	0.18549	0.71876
retinal[r]	21	-4.9781	0.99795	0.99999	7.8289	0.00093015	0.034629	11.94	0.34063	0.85452	8	5.5604	0.76972	0.99076	13	10.814	0.069116	0.57393
1-lysolecithin pool[c];11-cis-retinyl-palmitate[c]	5	-1.0833	0.8411	0.99999	6.9256	0.010845	0.20535	9.8385	0.042341	0.34962	3	4.9656	0.43566	0.99076	2	9.4744	0.0050898	0.1861
retinyl-ester[c]	18	-0.73485	0.93377	0.99999	3.814	0.025559	0.34098	7.8781	0.79216	0.97978	11	3.7153	0.97378	0.99076	7	7.9757	0.13573	0.65625
fatty acid-retinol pool[c]	13	-0.19289	0.87296	0.99999	0.19289	0.19197	0.82355	3.1686	0.97903	0.98796	8	1.3158	0.99151	0.99503	5	3.4448	0.6166	0.9673
11-cis-retinol[c]	10	-2.4161	0.95401	0.99999	6.5472	0.0068205	0.15599	9.9108	0.17402	0.64243	5	4.8437	0.65162	0.99076	5	9.1723	0.029422	0.38409
11-cis-retinal[c];9-cis-retinol[c]	7	-5.0355	0.98891	0.99999	9.9732	0.00069907	0.029311	6.3973	0.48045	0.93077	3	0.48959	0.94275	0.99076	4	8.0389	0.053759	0.50541
anhydroretinol[c]	2	-0.27473	0.69692	0.99999	0.27473	0.34873	1	-1.6301	0.97088	0.98796	1	-1.8677	0.95989	0.99076	1	-0.43765	0.81517	0.9676
9-cis-retinal[c]	6	-2.4721	0.93105	0.99999	2.4721	0.1096	0.70185	3.9144	0.76737	0.97978	2	1.577	0.79548	0.99076	4	3.679	0.52302	0.9673
13-cis-retinol[c]	3	-3.9962	0.95705	0.99999	11.539	0.00029368	0.016417	4.7928	0.40232	0.87507	2	-0.47053	0.94612	0.99076	1	8.9668	0.0035024	0.13902
retinoate[c]	32	4.1015	0.69505	0.99999	-4.1015	0.40675	1	14.821	0.29691	0.81443	19	12.163	0.38093	0.98993	13	8.549	0.26684	0.83093
retinoate[r]	27	2.0923	0.83613	0.99999	-2.0923	0.25284	0.90708	12.15	0.51882	0.95019	15	9.512	0.6078	0.99076	12	7.5898	0.35916	0.9117
9-cis-retinal[r]	5	-6.8617	0.99639	0.99999	12.704	7.7887e-05	0.0059942	6.1497	0.37355	0.85654	1	-1.3822	0.94057	0.99076	4	7.5666	0.07652	0.57891
9-cis-retinoate[r];13-cis-retinoate[c];13-cis-retinoate[r]	12	3.8975	0.47144	0.97273	-3.8975	0.57792	1	9.6876	0.28981	0.80604	8	8.1711	0.39106	0.99076	4	5.2238	0.29702	0.85222
9-cis-retinoate[c];4-oxo-9-cis-retinoate[r];5,6-epoxy-13-cis-retinoate[c];5,6-epoxy-13-cis-retinoate[r]	10	6.2937	0.19146	0.68384	-6.2937	0.81443	1	8.7404	0.31139	0.83201	8	8.1711	0.39106	0.99076	2	3.2019	0.42557	0.95692
4-oxo-9-cis-retinoate[c]	33	7.9952	0.28199	0.81284	-7.9951	0.76917	1	12.791	0.62383	0.97734	23	12.102	0.57452	0.99076	10	4.8834	0.67438	0.9673
13-cis-retinal[r]	3	-0.6749	0.77034	0.99999	0.6749	0.27618	0.91766	6.3636	0.19878	0.68987	1	5.1026	0.16436	0.72403	2	4.1857	0.28731	0.8465
13-cis-retinal[c]	4	0.0070852	0.72924	0.99999	-0.0070852	0.32151	0.97461	5.8694	0.33498	0.84884	2	4.1149	0.44252	0.99076	2	4.1857	0.28731	0.8465
4-hydroxy-all-trans-retinoate[c];4-hydroxy-all-trans-retinoate[r]	11	7.5784	0.11339	0.52967	-7.5784	0.8843	1	9.8721	0.22232	0.72606	9	9.4046	0.27414	0.90809	2	3.2019	0.42557	0.95692
riboflavin[c]	7	2.866	0.49112	0.98577	-2.866	0.5484	1	7.1727	0.36523	0.85452	5	5.6857	0.52431	0.99076	2	4.4289	0.25667	0.8225
FMN[c]	10	7.3851	0.11643	0.53547	-7.3448	0.87888	1	10.848	0.097475	0.51859	8	9.9143	0.17006	0.73721	2	4.4289	0.25667	0.8225
serotonin[c]	12	-3.491	0.98151	0.99999	11.027	0.00013422	0.0094548	12.596	0.048867	0.37415	5	6.4946	0.39944	0.99076	7	11.003	0.012349	0.27951
hydroxide[c]	5	-1.6094	0.87546	0.99999	1.6094	0.17653	0.81747	4.0267	0.68588	0.97978	2	1.9249	0.75572	0.99076	3	3.6268	0.44873	0.95692
6-hydroxymelatonin-sulfate[c]	20	4.4458	0.53842	0.99999	-4.4455	0.53527	1	11.603	0.34863	0.85452	12	10.756	0.26042	0.88688	8	5.1732	0.53886	0.9673
formyl-N-acetyl-5-methoxykynurenamine[c];formyl-5-hydroxykynurenamine[c]	2	-0.026002	0.67095	0.99999	0.026002	0.37244	1	-2.3343	0.98469	0.99032	1	-1.793	0.95731	0.99076	1	-1.5081	0.90425	0.97155
5-hydroxyindoleacetaldehyde[c]	16	-4.0581	0.99242	0.99999	4.0581	0.023244	0.31979	12.823	0.10192	0.52345	6	7.3881	0.3548	0.97794	10	10.497	0.04327	0.44597
5-hydroxyindoleacetate[c]	7	-0.44683	0.82792	0.99999	0.44683	0.23143	0.88301	6.4083	0.47879	0.92959	4	3.5052	0.75805	0.99076	3	5.7414	0.17282	0.6884
thiamin[c]	3	-7.7785	0.99768	0.99999	15.321	4.772e-06	0.00084035	8.316	0.05591	0.40099	0	NA	NA	NA	3	8.316	0.026533	0.36734
thiamin-PP[c]	4	0.61849	0.66779	0.99999	-0.61849	0.37933	1	2.979	0.74894	0.97978	3	1.499	0.88216	0.99076	1	3.3616	0.28954	0.84684
thiamin-PPP[c]	2	-6.37	0.98942	0.99999	6.37	0.026106	0.34466	6.1499	0.14247	0.60294	0	NA	NA	NA	2	6.1499	0.095578	0.60846
thiamin-P[c]	2	-2.2688	0.86455	0.99999	2.2688	0.18494	0.81767	5.1666	0.2436	0.75828	1	1.971	0.59796	0.99076	1	5.3356	0.095264	0.60846
2-(alpha-hydroxyethyl)thiamine-diphosphate[c]	2	1.7919	0.46368	0.97093	-1.7919	0.55474	1	0.44211	0.86534	0.98725	2	0.44211	0.89606	0.99076	0	NA	NA	NA
cob(II)alamin[m];cob(I)alamin[m];triphosphate[m];cobamide-coenzyme[m]	2	-2.1404	0.85617	0.99999	2.1404	0.19379	0.82512	2.2529	0.66091	0.97978	1	-0.20632	0.86426	0.99076	1	3.3924	0.28553	0.84475
pyridoxal[c]	8	3.2599	0.46438	0.97123	-3.2599	0.57437	1	8.232	0.27123	0.79035	6	6.3325	0.51465	0.99076	2	5.4958	0.14485	0.65625
pyridoxine[c];pyridoxamine[c];pyridoxamine-phosphate[c]	4	2.7152	0.43168	0.93505	-2.7152	0.59036	1	5.6727	0.3626	0.85452	3	4.6182	0.48925	0.99076	1	3.3463	0.29155	0.84684
calcidiol[c]	7	5.7607	0.19261	0.68384	-5.3063	0.77397	1	11.229	0.029359	0.31525	4	11.279	0.010018	0.17163	3	4.1286	0.37369	0.91745
vitamin D3[m]	3	-2.5768	0.90315	0.99999	2.5768	0.13742	0.75377	5.7335	0.2723	0.79035	1	2.9386	0.44815	0.99076	2	4.9442	0.19785	0.74975
calcidiol[m]	6	5.1775	0.22796	0.74842	-4.6866	0.73425	1	13.386	0.0021588	0.084381	4	11.279	0.010018	0.17163	2	7.2343	0.042809	0.44597
calcitriol[c]	3	2.4508	0.4286	0.9312	-2.4182	0.58523	1	6.6855	0.16636	0.63963	1	8.1828	0.014576	0.20153	2	2.4019	0.54623	0.9673
calcitriol[m]	2	12.46	0.00063389	0.021888	-11.61	0.99584	1	12.35	0.00030113	0.026515	2	12.35	0.00049659	0.030079	0	NA	NA	NA
23s,25-dihydroxyvitamin D3[c];23s,25-dihydroxyvitamin D3[m];23S,25,26-trihydroxyvitamin D3[c];23S,25,26-trihydroxyvitamin D3[m];25-hydroxyvitamin D3-26,23-lactol[c];25-hydroxyvitamin D3-26,23-lactol[m];25-hydroxyvitamin D3-26,23-lactone[c];25-hydroxyvitamin D3-26,23-lactone[m];24-oxo-1alpha,25-dihydroxyvitamin D3[c];24-oxo-1alpha,25-dihydroxyvitamin D3[m];24-oxo-1alpha,23,25-trihydroxyvitamin D3[c];24-oxo-1alpha,23,25-trihydroxyvitamin D3[m]	3	0.94748	0.60353	0.99999	-0.94748	0.43265	1	5.1082	0.3566	0.85452	2	3.6015	0.5206	0.99076	1	3.7543	0.24048	0.81031
calcitetrol[c];calcitetrol[m]	4	5.4983	0.16443	0.63498	-4.9253	0.78617	1	9.0648	0.050575	0.38061	3	8.2996	0.072384	0.46882	1	3.7543	0.24048	0.81031
25-hydroxyvitamin D2[m]	3	6.3746	0.090984	0.47828	-5.6803	0.85747	1	13.823	0.00011273	0.013235	2	12.35	0.00049659	0.030079	1	6.4766	0.04049	0.43412
11-carboxy-alpha-tocotrienol[m];9-carboxy-alpha-tocotrienol[m];7-carboxy-alpha-tocotrienol[m];5-carboxy-alpha-chromanol[m];11-carboxy-gamma-tocotrienol[m];9-carboxy-gamma-tocotrienol[m];7-carboxy-gamma-tocotrienol[m];5-carboxy-gamma-chromanol[m]	29	2.4535	0.82771	0.99999	-2.4535	0.26511	0.90708	10.01	0.85583	0.98634	19	7.0604	0.95492	0.99076	10	7.315	0.31341	0.8746
gamma-carboxyethyl-hydroxychroman[c];gamma-CEHC-glucuronide[c];3-carboxy-alpha-chromanol[c];alpha-CEHC-glucuronide[c]	11	4.9431	0.32932	0.85656	-4.9431	0.69865	1	10.322	0.17507	0.64466	9	8.1353	0.4563	0.99076	2	6.9504	0.053573	0.50541
benzo[a]pyrene[c];benzo[a]pyrene-9,10-oxide[c];benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide[c];9-hydroxybenzo[a]pyrene[c];9-hydroxybenzo[a]pyrene-4,5-oxide[c];naphthalene[c];aflatoxin Q1[c];aflatoxin M1-8,9-epoxide[c];TAG epoxide[c];chloral[c];bromobenzene[c];7,12-dimethylbenz[a]anthracene[c];(1aalpha,2beta,3alpha,11calpha)-1a,2,3,11c-tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol[c];4-[(hydroxymethyl)nitrosoamino]-1-(3-pyridinyl)-1-butanone[c];1-nitronaphthalene[c];1,1-dichloroethylene[c]	8	2.5103	0.55125	0.99999	-2.5103	0.49737	1	6.4904	0.52353	0.95019	6	4.7796	0.73844	0.99076	2	4.7023	0.22439	0.80398
benzo[a]pyrene-7,8-oxide[c];7,12-dimethylbenz[a]anthracene 5,6-oxide[c];trans-3,4-dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene[c]	9	2.6872	0.55213	0.99999	-2.6872	0.49983	1	6.26	0.62313	0.97734	7	4.5846	0.81777	0.99076	2	4.7023	0.22439	0.80398
benzo[a]pyrene-4,5-oxide[c];trichloroethene[c];1-nitronaphthalene-7,8-oxide[c];2,2-dichloroacetaldehyde[c];1,1-dichloroethylene epoxide[c];chloroacetyl chloride[c]	24	-0.042915	0.93648	0.99999	0.042915	0.12313	0.72528	7.6382	0.93611	0.98796	13	4.8437	0.96336	0.99076	11	6.0167	0.5522	0.9673
4,5-dihydro-4-hydroxy-5-S-glutathionyl-benzo[a]pyrene[c];7,8-dihydro-7-hydroxy-8-S-glutathionyl-benzo[a]pyrene[c];(1R)-hydroxy-(2R)-glutathionyl-1,2-dihydronaphthalene[c];(1S)-hydroxy-(2S)-glutathionyl-1,2-dihydronaphthalene[c];aflatoxin B1-exo-8,9-epoxide-GSH[c];hydrochloride[c];S-(1,2-dichlorovinyl)glutathione[c];3,4-dihydro-3-hydroxy-4-S-glutathionyl bromobenzene[c];2,3-dihydro-2-S-glutathionyl-3-hydroxy bromobenzene[c];1-nitro-5-hydroxy-6-glutathionyl-5,6-dihydronaphthalene[c];1-nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthalene[c];1-nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene[c];1-nitro-7-glutathionyl-8-hydroxy-7,8-dihydronaphthalene[c];S-(2,2-dichloro-1-hydroxy)ethyl glutathione[c];2-(S-glutathionyl)acetyl chloride[c];2-(S-glutathionyl)acetyl glutathione[c];S-(2-chloroacetyl)glutathione[c];S-(formylmethyl)glutathione[c]	16	-1.8276	0.96191	0.99999	1.8276	0.078963	0.59172	4.7654	0.96517	0.98796	7	2.1758	0.96658	0.99076	9	4.435	0.69723	0.9673
benzo[a]pyrene-7,8-diol[c];(1R,2S)-naphthalene 1,2-oxide[c];(1S,2R)-naphthalene 1,2-oxide[c];aflatoxin B1-exo-8,9-epoxide[c];bromobenzene-3,4-oxide[c];bromobenzene-2,3-oxide[c];1-nitronaphthalene-5,6-oxide[c]	25	0.15021	0.93073	0.99999	-0.15021	0.13228	0.75377	7.5683	0.94895	0.98796	14	4.7804	0.97429	0.99076	11	6.0167	0.5522	0.9673
1,2-dihydronaphthalene-1,2-diol[c]	3	3.1582	0.34896	0.86797	-3.1582	0.65871	1	3.3707	0.61585	0.97734	2	3.9745	0.46379	0.99076	1	0.21751	0.7411	0.9673
naphthalene-1,2-diol[c]	2	3.1882	0.30815	0.84526	-3.1882	0.68912	1	3.8297	0.42638	0.89176	1	5.1985	0.15524	0.70024	1	0.21751	0.7411	0.9673
aflatoxin B1[c];aflatoxin M1[c]	9	2.0876	0.62021	0.99999	-2.0876	0.43826	1	6.2016	0.63158	0.97734	6	4.7796	0.73844	0.99076	3	3.982	0.39525	0.92837
aflatoxin B1 dialdehyde[c];1,2,3,4-tetrahydro-alpha,7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-propanal[c];6-[2,3-dihydroxy-1-(hydroxymethyl)propyl]-1,2-dihydro-7-hydroxy-9-methoxy-cyclopenta[c][1]benzopyran-3,4-dione[c];alpha-(1,2-dihydroxyethyl)-1,2,3,4-tetrahydro-7-hydroxy-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-acetaldehyde[c]	2	8.3721	0.021538	0.24158	-7.2196	0.93578	1	8.1035	0.034884	0.33405	2	8.1035	0.047526	0.37144	0	NA	NA	NA
chloral hydrate[c]	12	-0.91949	0.90906	0.99999	0.91949	0.14848	0.76906	10.767	0.16775	0.63972	6	6.9152	0.42501	0.99076	6	8.312	0.082813	0.6068
trichloroacetate[c]	12	3.8079	0.48185	0.98241	-3.8079	0.56888	1	8.1803	0.5069	0.9497	9	6.4642	0.70405	0.99076	3	5.1641	0.23552	0.81031
trichloroethanol[c]	25	4.1153	0.62718	0.99999	-4.1153	0.46304	1	14.139	0.19827	0.68987	17	10.689	0.51886	0.99076	8	9.4123	0.063121	0.54224
1a,11b-dihydro-4,9-dimethylbenz[a]anthra[3,4-b]oxirene[c]	2	0.92387	0.56501	0.99999	-0.92387	0.46675	1	-0.13451	0.90729	0.98725	2	-0.13451	0.93054	0.99076	0	NA	NA	NA
7-hydroxymethyl-12-methylbenz[a]anthracene[c]	9	2.2318	0.60409	0.99999	-2.2318	0.45299	1	5.9579	0.66613	0.97978	6	4.7796	0.73844	0.99076	3	3.5601	0.4589	0.95952
4-(n-nitrosomethylamino)-1-(3-pyridyl)-1-butanone[c]	17	3.7986	0.55708	0.99999	-3.7986	0.51322	1	9.9601	0.46429	0.92115	11	8.2975	0.56779	0.99076	6	5.5304	0.37447	0.91745
4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol[c]	14	7.8062	0.13015	0.5602	-7.8062	0.87247	1	9.8092	0.361	0.85452	11	9.7262	0.35169	0.97794	3	2.566	0.61009	0.9673
4-hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone[c]	4	1.0533	0.62103	0.99999	-1.0533	0.42224	1	5.5119	0.38573	0.86568	2	4.7131	0.35448	0.97794	2	3.0819	0.4435	0.95692
2-bromoacetaldehyde[c];hydrobromic acid[c]	17	-1.0097	0.94065	0.99999	1.0097	0.11235	0.71168	5.3358	0.95473	0.98796	8	3.0742	0.95581	0.99076	9	4.435	0.69723	0.9673
PNP[c]	4	-5.2703	0.98365	0.99999	5.2703	0.035	0.39811	7.8011	0.12312	0.5729	1	2.9386	0.44815	0.99076	3	7.3114	0.060864	0.52616
debrisoquin[c]	2	5.4519	0.12188	0.53992	-5.4519	0.85768	1	5.2067	0.23883	0.75417	2	5.2067	0.28707	0.91174	0	NA	NA	NA
4-hydroxy-debrisoquine[c];limonene[c];(-)-trans-carveol[c];perillyl alcohol[c];(+)-alpha-pinene[c];alpha-pinene-oxide[c]	2	5.4519	0.12188	0.53992	-5.4519	0.85768	1	5.2067	0.23883	0.75417	2	5.2067	0.28707	0.91174	0	NA	NA	NA
methanol[c]	15	-1.8959	0.95975	0.99999	5.269	0.011763	0.20924	12.062	0.13097	0.58243	8	6.4546	0.6519	0.99076	7	10.757	0.015662	0.30306
chloride[c]	30	5.765	0.5047	0.9898	-3.3551	0.33618	0.9867	14.425	0.28677	0.80348	21	11.29	0.61603	0.99076	9	9.09	0.10367	0.61961
4-nitrophenyl-phosphate[s];PNP[s]	11	-0.60801	0.87973	0.99999	0.60801	0.183	0.81747	9.3788	0.28158	0.79884	7	4.9424	0.77917	0.99076	4	9.0148	0.023703	0.3449
dextrin[c];dextrin(n-1)[c]	5	1.2281	0.62708	0.99999	-1.2281	0.42112	1	3.4352	0.76083	0.97978	2	4.1817	0.43246	0.99076	3	1.0205	0.80911	0.9673
neuromedin N[c];neuromedin N(1-4)[c];kinetensin 1-8[c]	2	-3.8469	0.94112	0.99999	3.8469	0.097026	0.67005	3.276	0.51008	0.9497	0	NA	NA	NA	2	3.276	0.41457	0.94785
kinetensin[c]	3	-3.9178	0.9549	0.99999	3.9178	0.074521	0.5681	3.2068	0.63948	0.97967	0	NA	NA	NA	3	3.2068	0.5131	0.9673
kinetensin[s];kinetensin 1-3[s];kinetensin 4-8[s]	3	-5.3766	0.98315	0.99999	5.3766	0.034023	0.39811	4.922	0.38339	0.86369	0	NA	NA	NA	3	4.922	0.26515	0.83093
leucine[s]	23	4.1188	0.61123	0.99999	-3.8329	0.44757	1	9.7535	0.72857	0.97978	15	7.8506	0.81975	0.99076	8	5.788	0.44498	0.95692
(ADP-D-ribosyl)n+1-acceptor[c];(ADP-D-ribosyl)n-acceptor[c]	16	3.1583	0.62138	0.99999	-3.0609	0.44296	1	5.1831	0.95095	0.98796	9	5.6887	0.79837	0.99076	7	1.3858	0.91868	0.97296
[phosphorylase B][c];[phosphorylase A][c]	4	7.4618	0.061317	0.39951	-6.7248	0.8949	1	6.8016	0.21767	0.7214	4	6.8016	0.27996	0.91049	0	NA	NA	NA
ubiquitin C terminal thiolester[c];thiol[c]	49	9.5446	0.2667	0.7984	-9.5446	0.79525	1	9.8134	0.99465	0.99746	36	10.854	0.96933	0.99076	13	0.9909	0.98769	0.99607
ubiquitin[c]	217	22.368	0.022865	0.24855	-21.703	0.98398	1	28.078	0.99519	0.99746	153	29.085	0.90734	0.99076	64	6.7315	0.99948	0.99953
[protein]-N-ubiquityllysine[c]	168	20.267	0.027158	0.27174	-19.511	0.97711	1	26.611	0.94164	0.98796	117	27.239	0.66811	0.99076	51	7.0405	0.99392	0.99945
peptidylproline-(omega=0)[c];peptidylproline-(omega=180)[c]	31	9.3463	0.15951	0.62009	-9.2869	0.85995	1	12.955	0.52942	0.95036	22	12.799	0.42482	0.99076	9	4.0323	0.74863	0.9673
[myosin light chain][c];[myosin light chain]-phosphate[c]	4	-1.7595	0.86887	0.99999	1.7595	0.18013	0.81747	3.4124	0.69378	0.97978	1	2.3186	0.54464	0.99076	3	2.6017	0.60481	0.9673
histone-N6-acetyl-L-lysine[c];histone-L-lysine[c]	15	2.8206	0.64278	0.99999	-2.8206	0.43065	1	5.6732	0.90919	0.98725	10	5.1203	0.88812	0.99076	5	2.5851	0.73391	0.9673
[protein]-L-glutamine[c];alkylamine[c];[protein]-N5-alkylglutamine[c]	4	-4.2178	0.96649	0.99999	10.75	0.00065907	0.028484	7.033	0.19271	0.67873	2	1.4247	0.8116	0.99076	2	8.5214	0.01363	0.28638
S-palmitoylprotein[c]	2	-2.5489	0.88164	0.99999	2.5489	0.16651	0.80999	2.0704	0.68597	0.97978	0	NA	NA	NA	2	2.0704	0.59562	0.9673
alpha tubulin[c];detyrosinated alpha-tubulin[c]	3	-0.97002	0.79583	0.99999	0.97002	0.25097	0.90708	0.035083	0.9413	0.98796	1	-0.75895	0.90588	0.99076	2	0.57963	0.7905	0.9673
polynucleotide[c]	2	3.1174	0.31551	0.84899	-3.1174	0.68271	1	2.7126	0.59479	0.9749	2	2.7126	0.65228	0.99076	0	NA	NA	NA
G(5)pppR-RNA[c]	2	3.0169	0.32606	0.85656	-3.0169	0.67354	1	2.6016	0.61109	0.97734	2	2.6016	0.66783	0.99076	0	NA	NA	NA
m7G(5')pppR-RNA[c]	2	2.2998	0.40506	0.91859	-2.2998	0.60528	1	1.7395	0.72923	0.97978	2	1.7395	0.7774	0.99076	0	NA	NA	NA
N-tetradecanoylglycylpeptide[c];glycylpeptide[c]	2	1.1504	0.5387	0.99999	-1.1504	0.48973	1	1.9767	0.69853	0.97978	1	2.3545	0.53908	0.99076	1	0.44095	0.71273	0.9673
[pyruvate dehydrogenase (acetyl transferring)]-phosphate[c];[pyruvate dehydrogenase (acetyl transferring)][c]	6	2.845	0.47375	0.97575	-2.8458	0.55918	1	6.4786	0.40511	0.8775	3	7.3118	0.14136	0.66598	3	1.8503	0.71059	0.9673
tRNA-queuine[c];queuine[c]	2	2.5042	0.38198	0.89929	-2.5042	0.62518	1	2.0031	0.69501	0.97978	2	2.0031	0.74624	0.99076	0	NA	NA	NA
tRNA-guanine[c]	6	6.6008	0.12295	0.54263	-6.6008	0.86898	1	5.832	0.50182	0.94706	6	5.832	0.59122	0.99076	0	NA	NA	NA
tRNA containing N2-methylguanine[c]	3	3.0204	0.36408	0.88311	-3.0204	0.64538	1	2.3958	0.74734	0.97978	3	2.3958	0.79875	0.99076	0	NA	NA	NA
N-substituted aminoacyl tRNA[c];N-substituted amino acid[c]	3	5.6144	0.13328	0.56524	-5.6144	0.85355	1	4.2239	0.48781	0.93522	2	6.6915	0.12934	0.62516	1	-2.1471	0.93947	0.97734
tRNA[c]	4	6.6894	0.093317	0.48259	-6.6894	0.89324	1	5.3942	0.40292	0.87507	3	7.4684	0.12817	0.62516	1	-2.1471	0.93947	0.97734
[beta-adrenergic-receptor][c];phospho-[beta adrenergic receptor][c]	2	0.20405	0.64617	0.99999	-0.20405	0.39481	1	2.9304	0.56235	0.96145	1	2.2308	0.55823	0.99076	1	1.9134	0.49949	0.96722
N-acetylmuramoyl-ala[c];N-acetylmuramate[c]	2	8.2367	0.023671	0.25112	-8.2367	0.96241	1	8.0711	0.035848	0.33405	2	8.0711	0.048768	0.37257	0	NA	NA	NA
N-acetyl-beta-D-glucosaminylamine[c]	2	3.6429	0.26285	0.79656	-3.6429	0.7288	1	3.2403	0.5155	0.95019	2	3.2403	0.57524	0.99076	0	NA	NA	NA
peptide-L-aspartate[c]	3	2.648	0.40595	0.91859	-2.648	0.6085	1	1.4944	0.84367	0.9838	3	1.4944	0.88251	0.99076	0	NA	NA	NA
peptide-3-hydroxy-L-aspartate[c]	2	2.1679	0.42013	0.9301	-2.1679	0.59229	1	1.0283	0.81095	0.98376	2	1.0283	0.84975	0.99076	0	NA	NA	NA
sn-glycero-3-phospho-1-inositol[c]	3	-1.9283	0.86625	0.99999	1.9283	0.1782	0.81747	4.9011	0.38642	0.86568	2	1.5175	0.80188	0.99076	1	6.343	0.045134	0.45501
vitamin K[c]	3	7.1027	0.060688	0.39878	-7.1114	0.92557	1	6.7058	0.16443	0.63865	3	6.7058	0.20085	0.81349	0	NA	NA	NA
reduced vitamin K[c]	2	6.9406	0.054498	0.38388	-6.9513	0.92673	1	6.6364	0.10481	0.52825	2	6.6364	0.13383	0.63935	0	NA	NA	NA
oxidized dithiothreitol[c];dithiothreitol[c]	2	3.6937	0.25801	0.79155	-3.6937	0.73307	1	3.3446	0.49966	0.94572	2	3.3446	0.55957	0.99076	0	NA	NA	NA
[protein][c]	409	24.445	0.18694	0.67416	-21.688	0.80258	1	48.025	0.47179	0.92489	255	45.161	0.10333	0.58027	154	20.153	0.91664	0.97296
peptidyl-L-lysyl-peptide[c];peptidyl-allysyl-peptide[c]	2	6.3144	0.077968	0.44434	-6.3144	0.90142	1	6.069	0.14952	0.61319	2	6.069	0.18631	0.7707	0	NA	NA	NA
RNA-terminal-2,3-cyclic-phosphate[c];RNA-3-terminal-phosphate[c]	2	0.13654	0.65351	0.99999	-0.13654	0.38821	1	1.9862	0.69726	0.97978	1	1.5164	0.66491	0.99076	1	1.2925	0.59327	0.9673
diphospho-myo-inositol-polyphosphate[c];myo-inositol-polyphosphate[c]	3	2.2338	0.45379	0.95818	-2.2338	0.56633	1	1.4727	0.84565	0.9838	3	1.4727	0.88417	0.99076	0	NA	NA	NA
procollagen-L-lysine[c]	3	9.4014	0.013022	0.16213	-9.4014	0.97947	1	9.1685	0.02775	0.30818	3	9.1685	0.036241	0.30542	0	NA	NA	NA
L-hydroxylysine[c]	4	8.5482	0.031599	0.29377	-8.5482	0.95718	1	8.0457	0.10521	0.52825	4	8.0457	0.14294	0.67156	0	NA	NA	NA
5-Phosphonooxy-L-lysine[c]	2	-0.87229	0.75521	0.99999	0.87229	0.29426	0.93502	1.3813	0.77245	0.97978	1	0.21114	0.82546	0.99076	1	1.7423	0.52555	0.9673
N-trimethyl-2-aminoethylphosphonate[c];CMP-N-trimethyl-2-aminoethylphosphonate[c]	2	-0.59347	0.72878	0.99999	0.59347	0.31919	0.97081	1.2122	0.79142	0.97978	1	0.32894	0.81335	0.99076	1	1.3854	0.57945	0.9673
palmitate[s]	11	-7.9868	0.99955	0.99999	15.894	6.9485e-07	0.00020394	18.631	2.3407e-05	0.0054639	2	9.6939	0.011385	0.17878	9	16.028	4.6161e-05	0.010971
trans-2-methyl-5-isopropylhexa-2,5-dienoyl-CoA[p];3-hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA[p];cis-2-methyl-5-isopropylhexa-2,5-dienoyl-CoA[p]	2	2.557	0.37609	0.89498	-2.557	0.63026	1	2.0723	0.68572	0.97978	2	2.0723	0.73769	0.99076	0	NA	NA	NA
phosphoprotein[c]	408	24.422	0.18144	0.6616	-21.663	0.80865	1	48.056	0.46201	0.92115	254	45.214	0.098093	0.55976	154	20.153	0.91664	0.97296
protamine[c];O-phosphoprotamine[c]	204	25.739	0.00081439	0.026075	-23.379	0.99669	1	36.275	0.16823	0.63972	139	36.986	0.010188	0.17279	65	10.177	0.97894	0.99321
Ca2+[c];Ca2+[s]	16	0.18196	0.88163	0.99999	-0.18196	0.18658	0.81936	8.1399	0.69923	0.97978	7	6.5189	0.56491	0.99076	9	5.104	0.60295	0.9673
guanidine[c];guanidine[s]	2	-3.3919	0.92374	0.99999	3.3919	0.11844	0.71797	3.0151	0.54961	0.9571	0	NA	NA	NA	2	3.0151	0.45354	0.95692
Mg2+[s];Mg2+[c]	2	3.805	0.24756	0.77025	-3.805	0.7423	1	2.5894	0.61287	0.97734	2	2.5894	0.66952	0.99076	0	NA	NA	NA
AKG[s]	8	6.9556	0.12193	0.53992	-6.9556	0.8738	1	9.3017	0.15398	0.61753	6	9.492	0.11747	0.60588	2	2.1629	0.58196	0.9673
insulin-(SS)[c];Insulin-(SH)2[c]	7	13.089	0.001306	0.037702	-12.454	0.99532	1	12.955	0.0054159	0.14026	6	14.02	0.0016279	0.055219	1	-0.065176	0.77481	0.9673
cholesterol[s]	4	-4.2792	0.96779	0.99999	4.2793	0.059535	0.52159	11.295	0.0064605	0.15169	1	7.248	0.034701	0.30047	3	8.8576	0.016061	0.30306
cholesterol-ester pool[s]	2	-4.6494	0.96406	0.99999	4.6494	0.066406	0.55043	6.3012	0.12988	0.58243	1	1.0082	0.73389	0.99076	1	7.903	0.011008	0.26703
butyrate[s]	16	-2.1134	0.96836	0.99999	8.6695	0.00071725	0.029374	21.27	3.3252e-06	0.0024635	7	12.762	0.012665	0.18843	9	17.104	7.7684e-06	0.0071594
valeric acid[s];hexanoic acid[s];heptylic acid[s];octanoic acid[s];nonanoic acid[s];decanoic acid[s];undecylic acid[s]	10	-7.8508	0.99948	0.99999	16.144	3.2078e-07	0.00018829	19.129	4.1968e-06	0.0024635	2	9.6939	0.011385	0.17878	8	16.54	1.0041e-05	0.0071594
lauric acid[s]	23	-5.2915	0.99862	0.99999	13.484	3.1214e-06	0.00068711	20.677	0.00019247	0.018127	9	10.77	0.12968	0.62516	14	17.868	2.3612e-05	0.010971
tridecylic acid[s];myristic acid[s];(9E)-tetradecenoic acid[s];(7Z)-tetradecenoic acid[s];physeteric acid[s];pentadecylic acid[s];palmitolate[s];7-palmitoleic acid[s];margaric acid[s];(10Z)-heptadecenoic acid[s];9-heptadecylenic acid[s];stearate[s];(13Z)-octadecenoic acid[s];cis-vaccenic acid[s];oleate[s];elaidate[s];(7Z)-octadecenoic acid[s];(6Z,9Z)-octadecadienoic acid[s];nonadecylic acid[s];eicosanoate[s];(13Z)-eicosenoic acid[s];cis-gondoic acid[s];9-eicosenoic acid[s];8,11-eicosadienoic acid[s];mead acid[s];henicosanoic acid[s];behenic acid[s];cis-erucic acid[s];cis-cetoleic acid[s];tricosanoic acid[s];lignocerate[s];nervonic acid[s];cerotic acid[s];ximenic acid[s];linolenate[s];stearidonic acid[s];omega-3-arachidonic acid[s];EPA[s];DPA[s];(9Z,12Z,15Z,18Z,21Z)-TPA[s];(6Z,9Z,12Z,15Z,18Z,21Z)-THA[s];DHA[s];(11Z,14Z,17Z)-eicosatrienoic acid[s];13,16,19-docosatrienoic acid[s];10,13,16,19-docosatetraenoic acid[s];12,15,18,21-tetracosatetraenoic acid[s];linoleate[s];gamma-linolenate[s];dihomo-gamma-linolenate[s];adrenic acid[s];(9Z,12Z,15Z,18Z)-TTA[s];(6Z,9Z,12Z,15Z,18Z)-TPA[s];(4Z,7Z,10Z,13Z,16Z)-DPA[s];(11Z,14Z)-eicosadienoic acid[s];(13Z,16Z)-docosadienoic acid[s];10,13,16-docosatriynoic acid[s]	11	-7.9868	0.99955	0.99999	15.894	6.9485e-07	0.00020394	18.631	2.3407e-05	0.0054639	2	9.6939	0.011385	0.17878	9	16.028	4.6161e-05	0.010971
PC-LD pool[s]	2	2.9207	0.33631	0.85825	-2.9207	0.66465	1	4.9345	0.27212	0.79035	1	5.6758	0.1149	0.60377	1	1.3027	0.59176	0.9673
noradrenaline[s];dopamine[s]	7	4.5526	0.3032	0.83867	-4.5594	0.71194	1	11.278	0.028133	0.30818	4	10.47	0.022185	0.22492	3	5.1383	0.23859	0.81031
serotonin[s]	6	-0.59545	0.82557	0.99999	5.9203	0.016924	0.26386	11.505	0.016084	0.22865	3	7.603	0.11753	0.60588	3	8.6681	0.019228	0.31942
sulfate[s]	9	2.6898	0.55182	0.99999	-2.6898	0.50011	1	3.9961	0.88095	0.98725	5	4.5452	0.69366	0.99076	4	0.91252	0.86771	0.97056
D-lactate[s];pyruvate[s];acetoacetate[s];(R)-3-hydroxybutanoate[s];(R)-3-hydroxybutanoate[c];propanoate[s];retinoate[s];2-hydroxybutyrate[s];2-oxobutyrate[m]	6	6.6841	0.11807	0.53589	-6.6841	0.87351	1	10.038	0.056244	0.40099	5	8.9695	0.11104	0.59222	1	4.532	0.15819	0.66304
5-methyl-THF[s]	3	-8.2692	0.99854	0.99999	8.2692	0.0049153	0.12327	7.8822	0.077117	0.46114	0	NA	NA	NA	3	7.8822	0.038586	0.43412
4-aminobutyrate[s]	5	-1.452	0.86578	0.99999	7.2944	0.0084107	0.17926	9.9856	0.037534	0.33548	3	4.8275	0.45687	0.99076	2	9.8762	0.0032421	0.13902
citrulline[s]	5	6.8981	0.091542	0.47978	-6.2848	0.86462	1	5.2352	0.50997	0.9497	5	5.2352	0.59361	0.99076	0	NA	NA	NA
cystine[s]	5	5.2949	0.194	0.68463	-5.2949	0.80144	1	3.5821	0.74317	0.97978	5	3.5821	0.81117	0.99076	0	NA	NA	NA
K+[c]	24	-0.76243	0.95867	0.99999	3.4291	0.021188	0.2985	14.386	0.14539	0.60404	11	10.385	0.26266	0.88741	13	9.9937	0.12082	0.65625
K+[s]	22	-2.2221	0.9815	0.99999	5.0074	0.0088738	0.17998	13.734	0.16106	0.63311	9	9.4617	0.26684	0.89826	13	9.9937	0.12082	0.65625
succinate[s]	2	3.8983	0.23899	0.75559	-3.8983	0.74991	1	3.5521	0.46817	0.92176	2	3.5521	0.52813	0.99076	0	NA	NA	NA
chloride[s]	26	4.7744	0.56828	0.99999	-2.1857	0.26633	0.90708	14.451	0.18551	0.66247	17	11.258	0.43104	0.99076	9	9.09	0.10367	0.61961
mannose[s]	3	0.45559	0.65809	0.99999	2.5046	0.14162	0.75377	14.79	2.4822e-05	0.0054639	1	13.285	1.4775e-05	0.0050117	2	8.7201	0.011209	0.26703
thymidine[s];deoxycytidine[s]	3	3.4449	0.31829	0.85027	-3.4449	0.6858	1	2.9025	0.6819	0.97978	3	2.9025	0.73896	0.99076	0	NA	NA	NA
glucosamine[s]	2	9.7209	0.0077825	0.11724	-6.0955	0.89138	1	9.0607	0.014705	0.22711	2	9.0607	0.020915	0.22492	0	NA	NA	NA
histamine[s]	2	-3.3875	0.92355	0.99999	3.3875	0.11867	0.71797	3.0102	0.55034	0.9571	0	NA	NA	NA	2	3.0102	0.45427	0.95692
deoxyuridine[s]	4	5.1093	0.19381	0.68463	-5.1093	0.7996	1	4.5607	0.52817	0.95019	4	4.5607	0.61379	0.99076	0	NA	NA	NA
NH4+[s]	4	2.2776	0.4818	0.98241	-2.2776	0.54644	1	8.5557	0.074086	0.45301	2	7.7171	0.064052	0.44704	2	4.3824	0.2624	0.82667
deoxyguanosine[s]	4	5.1093	0.19381	0.68463	-5.1093	0.7996	1	4.5607	0.52817	0.95019	4	4.5607	0.61379	0.99076	0	NA	NA	NA
arginine[s]	12	6.3192	0.21803	0.73135	-5.9234	0.76358	1	7.9893	0.53571	0.95582	11	6.5822	0.79755	0.99076	1	5.8452	0.066321	0.56294
histidine[s]	18	5.1556	0.41463	0.92484	-4.8324	0.60866	1	6.934	0.87916	0.98725	13	6.3047	0.88952	0.99076	5	2.9903	0.68083	0.9673
methionine[s]	20	6.9113	0.26847	0.7984	-6.6047	0.73832	1	8.0231	0.83877	0.9838	16	7.3343	0.88826	0.99076	4	3.2716	0.58454	0.9673
tyrosine[s]	16	4.4869	0.4677	0.97124	-4.144	0.55473	1	7.5913	0.76798	0.97978	11	6.4574	0.81086	0.99076	5	4.0019	0.53346	0.9673
alanine[s]	26	10.4	0.069319	0.41794	-10.131	0.92369	1	12.173	0.48693	0.9351	19	12.569	0.32205	0.93848	7	2.7521	0.81023	0.9673
glutamine[s]	22	10.503	0.053968	0.38168	-10.211	0.93628	1	12.085	0.35748	0.85452	17	12.126	0.30472	0.9323	5	2.9903	0.68083	0.9673
serine[s]	26	10.4	0.069319	0.41794	-10.131	0.92369	1	12.173	0.48693	0.9351	19	12.569	0.32205	0.93848	7	2.7521	0.81023	0.9673
tryptophan[s]	16	4.4869	0.4677	0.97124	-4.144	0.55473	1	7.5913	0.76798	0.97978	11	6.4574	0.81086	0.99076	5	4.0019	0.53346	0.9673
phenylalanine[s]	19	4.8293	0.47449	0.97614	-4.5147	0.55545	1	7.5266	0.8543	0.98629	13	6.7303	0.85515	0.99076	6	3.487	0.67844	0.9673
proline[s]	21	5.4458	0.42665	0.9312	-5.1466	0.60219	1	8.5608	0.80416	0.98237	13	8.3614	0.66479	0.99076	8	3.2113	0.80244	0.9673
asparagine[s]	22	8.5036	0.15218	0.61323	-8.2112	0.84434	1	10.736	0.55796	0.95884	16	10.592	0.48246	0.99076	6	3.2616	0.70876	0.9673
valine[s];isoleucine[s]	17	6.2968	0.27678	0.80696	-5.9642	0.72404	1	8.6848	0.65611	0.97978	13	7.6425	0.75949	0.99076	4	4.1265	0.45487	0.95692
threonine[s]	23	11.616	0.030211	0.29091	-11.33	0.9614	1	13.572	0.19905	0.68987	18	13.492	0.18005	0.75398	5	3.5088	0.60724	0.9673
aspartate[s]	6	-2.8414	0.94423	0.99999	2.8414	0.0927	0.6478	6.4897	0.4035	0.87507	2	3.3171	0.56372	0.99076	4	5.6026	0.24893	0.81605
taurolithocholate[s];glycolithocholate[s];tauroursodeoxycholate[s];tauroursodeoxycholate[c];glycoursodeoxycholate[s];glycoursodeoxycholate[c];sulfochenodeoxycholate[s]	2	-2.5505	0.88173	0.99999	2.5505	0.16641	0.80999	3.7841	0.43319	0.89959	1	0.70886	0.77087	0.99076	1	4.6427	0.14818	0.65625
homoserine[s];homoserine[c]	8	6.6392	0.14158	0.58326	-6.1544	0.82563	1	6.0885	0.58441	0.97335	7	6.0165	0.63928	0.99076	1	1.3027	0.59176	0.9673
Fe2+[c]	5	-3.3285	0.95099	0.99999	3.3285	0.085226	0.61851	4.3004	0.64811	0.97978	2	0.84009	0.86592	0.99076	3	4.8659	0.27226	0.83213
zinc[s]	10	7.6429	0.10227	0.50703	-3.5118	0.566	1	11.732	0.051203	0.3816	9	9.5253	0.25882	0.88452	1	8.5248	0.0057404	0.19966
zinc[c]	11	8.5777	0.066873	0.41597	-4.6388	0.67091	1	12.43	0.041834	0.34962	10	10.34	0.21896	0.82479	1	8.5248	0.0057404	0.19966
citrate[s]	4	4.4641	0.24904	0.77103	-4.4641	0.75027	1	3.0587	0.73919	0.97978	4	3.0587	0.80888	0.99076	0	NA	NA	NA
L-lactate[s]	6	6.6841	0.11807	0.53589	-6.6841	0.87351	1	10.038	0.056244	0.40099	5	8.9695	0.11104	0.59222	1	4.532	0.15819	0.66304
formate[s]	8	7.6957	0.083661	0.45754	-7.6957	0.90925	1	10.418	0.07384	0.45301	7	9.4245	0.17019	0.73721	1	4.532	0.15819	0.66304
thyroxine[s]	4	-2.3546	0.902	0.99999	2.3546	0.14301	0.75377	3.7737	0.64409	0.97967	2	0.73923	0.87407	0.99076	2	4.5976	0.23647	0.81031
triiodothyronine[s]	4	0.6375	0.6658	0.99999	-0.6375	0.38118	1	4.6738	0.51106	0.9497	3	2.7163	0.76193	0.99076	1	4.6427	0.14818	0.65625
thiamin[s]	2	-7.0175	0.9937	0.99999	16.255	4.1096e-06	0.00080411	7.808	0.044487	0.35899	0	NA	NA	NA	2	7.808	0.026383	0.36734
sulfotaurolithocholate[s]	2	-1.1979	0.78424	0.99999	1.1979	0.26634	0.90708	5.3177	0.22592	0.73403	1	2.8777	0.45758	0.99076	1	4.6427	0.14818	0.65625
reverse triiodthyronine[s]	2	-2.131	0.85555	0.99999	2.131	0.19445	0.82512	4.2924	0.35874	0.85452	1	1.4276	0.67746	0.99076	1	4.6427	0.14818	0.65625
prostaglandin E2[s]	6	-5.3808	0.99013	0.99999	5.3808	0.023733	0.32398	6.0567	0.46793	0.92176	2	0.34886	0.90235	0.99076	4	7.1712	0.10068	0.61884
bilirubin-monoglucuronoside[c]	2	4.8954	0.1581	0.61742	-4.8954	0.82335	1	4.6224	0.31294	0.83305	2	4.6224	0.36746	0.98624	0	NA	NA	NA
estrone 3-sulfate[s]	6	-1.491	0.8845	0.99999	1.491	0.1649	0.80999	6.3713	0.42092	0.8838	3	3.3462	0.67997	0.99076	3	5.6642	0.18053	0.70146
dehydroepiandrosterone sulfate[s]	3	-2.5684	0.90272	0.99999	2.5684	0.13791	0.75377	6.7035	0.16465	0.63865	1	3.6594	0.34007	0.9672	2	5.6225	0.13417	0.65625
prostaglandin E1[s]	3	-4.5839	0.97065	0.99999	4.5839	0.052914	0.50368	3.9385	0.53118	0.95101	1	-0.93423	0.91688	0.99076	2	5.4842	0.14585	0.65625
prostaglandin F2alpha[s]	2	-5.8243	0.98402	0.99999	5.8243	0.035741	0.39811	5.544	0.20086	0.6922	0	NA	NA	NA	2	5.544	0.14072	0.65625
FAD[s]	11	5.091	0.3139	0.84899	-5.091	0.71174	1	9.8316	0.22691	0.73509	8	8.4294	0.35312	0.97794	3	5.0609	0.24791	0.81457
oxalate[s]	3	2.2545	0.45138	0.95654	-2.2545	0.56846	1	4.0047	0.52113	0.95019	2	3.7827	0.49299	0.99076	1	1.5869	0.54914	0.9673
hydroxide[s]	2	-1.3698	0.79871	0.99999	1.3698	0.25216	0.90708	6.1308	0.14411	0.60294	1	3.3347	0.38772	0.99076	1	5.3356	0.095264	0.60846
iodide[s]	2	4.3378	0.20085	0.69415	-4.3378	0.78412	1	3.9949	0.40186	0.87507	2	3.9949	0.46068	0.99076	0	NA	NA	NA
hyaluronan biosynthesis, precursor 1[s];hyaluronate[s]	3	-3.0003	0.92282	0.99999	3.0003	0.11453	0.71775	2.0193	0.79093	0.97978	1	-1.0282	0.92236	0.99076	2	3.2002	0.42583	0.95692
adrenaline[s]	2	3.9184	0.23716	0.75506	-3.9331	0.75272	1	7.3069	0.065522	0.43631	1	8.0204	0.017092	0.217	1	2.3131	0.43878	0.95692
D-aspartate[s];D-aspartate[c]	5	-1.5228	0.8702	0.99999	1.5228	0.18236	0.81747	5.6027	0.45437	0.91237	2	3.3171	0.56372	0.99076	3	4.5247	0.31754	0.88096
D-alanine[s]	3	7.724	0.041648	0.34272	-7.7236	0.94562	1	7.4016	0.10719	0.53174	3	7.4016	0.13369	0.63935	0	NA	NA	NA
estradiol-17beta 3-glucuronide[c];estradiol-17beta 3-glucuronide[s]	4	0.52042	0.67802	0.99999	-0.52042	0.36983	1	4.3977	0.55271	0.9571	3	2.3976	0.79855	0.99076	1	4.6427	0.14818	0.65625
cAMP[s];cGMP[s]	2	1.7807	0.46499	0.97124	-1.7807	0.55362	1	0.76879	0.83651	0.9838	2	0.76879	0.87172	0.99076	0	NA	NA	NA
heme[c]	2	5.8313	0.10079	0.50408	-5.8313	0.87832	1	5.4832	0.20742	0.70226	2	5.4832	0.25218	0.86808	0	NA	NA	NA
beta-alanine[s]	4	-0.45146	0.77127	0.99999	0.45146	0.28074	0.92566	3.0653	0.73838	0.97978	2	1.9434	0.7535	0.99076	2	2.3916	0.54777	0.9673
acetone[s]	3	8.3388	0.027886	0.27744	-8.3388	0.9612	1	8.0826	0.066661	0.43646	3	8.0826	0.084735	0.51325	0	NA	NA	NA
creatine[s]	2	10.918	0.0027991	0.060855	-10.87	0.99286	1	10.792	0.0022747	0.085228	2	10.792	0.0034984	0.089897	0	NA	NA	NA
L-carnitine[s]	4	-3.1539	0.93625	0.99999	3.1539	0.10184	0.67881	2.2528	0.82814	0.9838	1	-1.0679	0.92459	0.99076	3	3.2178	0.51141	0.9673
D-serine[c];D-serine[s]	2	7.1155	0.049059	0.36607	-7.1149	0.93236	1	6.8612	0.090083	0.50201	2	6.8612	0.11615	0.60526	0	NA	NA	NA
D-glucitol[s];D-glucitol[l];D-glucitol[g]	6	11.867	0.0035176	0.069601	-11.867	0.99354	1	11.477	0.016523	0.23093	6	11.477	0.025173	0.24369	0	NA	NA	NA
NH4+[m]	2	3.0779	0.31964	0.85027	-3.0779	0.67913	1	2.669	0.60122	0.97734	2	2.669	0.65842	0.99076	0	NA	NA	NA
deoxycytidine[m]	2	2.9811	0.32986	0.85656	-2.9811	0.67025	1	2.5613	0.61696	0.97734	2	2.5613	0.6734	0.99076	0	NA	NA	NA
cholesterol[g]	3	0.93335	0.60513	0.99999	-0.93335	0.4312	1	4.3571	0.46759	0.92176	1	4.869	0.18798	0.7757	2	1.8934	0.62143	0.9673
K+[g];Na+[g]	2	4.7289	0.17019	0.6476	-4.7289	0.81214	1	4.2842	0.35991	0.85452	2	4.2842	0.41711	0.99076	0	NA	NA	NA
UDP-glucose[g]	3	1.5624	0.53249	0.99999	-1.5624	0.49653	1	-0.020997	0.94377	0.98796	2	1.3429	0.81992	0.99076	1	-1.9356	0.92915	0.97581
TAG-LD pool[r]	2	0.86979	0.57125	0.99999	-0.86979	0.46127	1	-0.13734	0.90747	0.98725	2	-0.13734	0.93069	0.99076	0	NA	NA	NA
lipid droplet[c]	11	0.91628	0.76732	0.99999	3.0226	0.063804	0.5376	10.025	0.20547	0.70054	7	5.3919	0.72463	0.99076	4	9.4925	0.015182	0.30068
