Data for (Study ST003768)

(Analysis AN006186)

Values for each metabolite have been scaled by dividing by the mean across all factors

Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Metabolite	F1	F2	F3	F4
10,11-Dihydro-12R-hydroxy-leukotriene E4	1.2072	0.4959	1.1429	1.1540
[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 15-(3-methyl-5-pentylfuran-2-yl)pentadecanoate	0.0848	3.0528	0.0113	0.8511
10-Acetoxytoxol	1.1950	0.3085	0.2524	2.2441
10-Debenzoyl-2alpha-acetoxybrevifoliol	1.3643	0.8598	0.7405	1.0353
10-Hydroxycamptothecin	1.1682	0.1346	2.2317	0.4655
10-Oxabenzo[def]chrysen-9-one	0.6276	1.6966	0.2071	1.4687
1,1,1,2,2-Pentafluoro-7-phenylheptan-3-one	0.1154	1.5417	0.2058	2.1371
11,15,17-trihydroxy-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),4,10,14,16,18-heptaen-13-one	0.4367	2.1076	0.4752	0.9805
{11,15-dimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),10,14,16,18-hexaen-4-yl}oxidanesulfonic acid	2.0496	0.2932	0.9164	0.7408
1,1^-(1,8-Dioxo-1,8-octanediyl)bis[glycyl-glycine	0.2757	1.4546	0.6706	1.5991
11,22-dimethyl (6E,17E)-3,14-dioxo-8,19-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4,9,15,20-tetraoxatricyclo[16.4.0.0,(1)(2)]docosa-6,10,17,21-tetraene-11,22-dicarboxylate	1.9788	0.6037	1.2047	0.2128
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate	1.8591	0.0375	2.0329	0.0705
1-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide	1.3493	0.2405	2.3202	0.0900
1-18:1-lysoPE	1.3874	0.5933	1.3498	0.6695
11a-Hydroxy-7-chlortetracycline	0.2090	3.2113	0.0346	0.5451
11a-Hydroxyoxytetracycline	1.8676	0.9221	0.5728	0.6375
11beta,12alpha-Diacetoxy-1-deoxo-14beta,15beta-epoxy-3beta-hydroxy-2-oxoneotecleanin	2.7985	0.0793	1.1031	0.0191
11beta-Chloromethylestradiol	0.0886	0.2948	3.5379	0.0787
11beta-Hydroxy-12alpha-bromoprogesterone	0.5667	1.3651	1.3857	0.6826
1,1^-Bi-2-naphthol	0.7404	1.3713	0.4414	1.4469
1,1-Dihydroxypropan-2-one	0.7967	0.9579	1.5887	0.6567
11-Hydroxycanthin-6-one	0.0093	1.8866	0.0085	2.0956
1-((((1R)-1-(3-((1E)-2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1,2-dihydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acid	0.1702	1.6634	0.1423	2.0241
1-(1Z-hexadecenyl)-2-hexadecanoyl-glycero-3-phosphocholine	1.6932	0.0855	2.1559	0.0654
1-(1Z-hexadecenyl)-glycero-3-phosphate	2.1821	0.5371	1.0220	0.2588
1-(1Z-hexadecenyl)-sn-glycero-3-phosphoethanolamine	0.3819	0.2432	3.1987	0.1762
12,16-dihydroxy-5,7,9,21-tetraoxahexacyclo[11.8.0.0(2),(1).0(3),.0,.0(1),(2)]henicosa-1(13),2(10),11,15,17,19-hexaen-14-one	0.0027	1.8401	0.0024	2.1549
12,18-Didecarboxysiroheme	0.1656	1.7757	0.0937	1.9650
1,2,2^-Trisinapoylgentiobioside	0.0428	1.8571	0.0265	2.0736
1,2,3,6-Tetrakis-O-galloyl-beta-D-glucose	0.2621	2.6417	0.1317	0.9644
1,2,3-Trihydroxybenzene	2.8527	0.2482	0.5703	0.3289
1,2,4,5,7-Pentathiocane	0.1085	2.5871	0.9270	0.3774
1,2,4,7-Tetraacetoxy-8-hydroxy-3-(4-hydroxyphenyl)dibenzofuran	0.1441	0.6964	0.0584	3.1011
1,2,4,8-Tetraacetoxy-7-hydroxy-3-(4-hydroxyphenyl)dibenzofuran	2.7065	0.1476	1.0882	0.0576
[1-(2,4-dichlorobenzyl)-2-methyl-1H-indol-3-yl]methanol	0.9087	0.8897	0.9860	1.2156
{[1-(2,4-dihydroxyphenyl)-1-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3-(3-hydroxyphenyl)propan-2-yl]oxy}sulfonic acid	3.4010	0.0144	0.5296	0.0550
{[1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-1-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]propan-2-yl]oxy}sulfonic acid	1.7152	0.5018	0.2262	1.5568
{[1-(2,4-dihydroxyphenyl)-3-(3-hydroxyphenyl)-1-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]propan-2-yl]oxy}sulfonic acid	2.0367	0.9123	0.7747	0.2764
[1,2,4]Triazolo[1,5-a][1,3,5]triazin-7-amine	1.5923	0.6276	1.1886	0.5915
1,2,4-Trimethylbenzene	1.0758	0.9808	1.2352	0.7082
1-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenyl-1-propanone	0.4580	1.6085	0.2133	1.7203
1,2,6-Trigalloylglucose	0.0235	2.0545	0.0175	1.9045
12a-HYDROXY-5-DEOXYDEHYDROMUNDUSERONE	0.0668	1.8951	0.0528	1.9853
1-[(2-Aminoethyl)sulfanyl]-4-bromobenzene	0.6848	1.4835	0.4141	1.4177
12-Dehydrotetracycline	0.5430	1.5353	0.3765	1.5452
12-Deoxynogalonic acid	0.2682	1.9234	0.0256	1.7828
1,2-di-(13Z-docosenoyl)-sn-glycerol	2.8404	0.1819	0.2616	0.7161
1,2-Didecanoyl-sn-glycero-3-phosphocholine	1.0984	0.7785	1.3402	0.7829
1,2-Dihydroaceanthrylene	0.8483	1.0625	1.2574	0.8318
1,2-Dimethylimidazole	2.6844	0.0561	1.2259	0.0336
12-epi Leukotriene B4-d4	1.9956	0.2386	1.4379	0.3280
12-Ethyl-71,71-dihydroxy-8-isobutylbacteriochlorophyllide c	0.0428	1.7973	0.0166	2.1433
12-Ethyl-8-propyl-3-vinylbacteriochlorophyllide d	1.2874	0.5582	1.5507	0.6037
[1-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxy-1-benzofuran-5-yl)-3-oxopropoxy]sulfonic acid	0.0401	2.1902	0.0233	1.7464
12-Hydroxy-2-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-9-(3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione	0.7712	1.4434	0.9928	0.7926
1-(2-Hydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one	0.7815	2.3484	0.2637	0.6064
1-(2-Hydroxyphenylamino)-1-deoxy-beta-D-gentiobioside 1,2-carbamate	3.3294	0.1592	0.4113	0.1001
12-KETE	0.9305	1.2026	0.5742	1.2927
13,14-dihydro-16,16-difluoro PGJ2	0.6065	0.0869	3.1466	0.1599
13,14-Dihydro-16,16-difluoroprostaglandin D2	0.0611	1.5593	0.0387	2.3409
13,14-dihydroxy-15-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-(2-methylpropyl)-5,9-dioxo-3-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,6,10,16-tetraoxabicyclo[10.3.1]hexadecane-7-carboxylic acid	0.0952	1.2813	1.2169	1.4066
13-(3,4-dihydroxyphenyl)-18-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-5-(3-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol	1.5535	0.2006	1.1715	1.0744
13-(3,4-dihydroxyphenyl)-18-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-5-(4-hydroxy-3-methoxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol	1.7250	0.2251	1.9477	0.1023
13-(3,4-dihydroxyphenyl)-5-(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol	1.6039	0.2259	1.8607	0.3095
1-[3-[[3-acetyl-2-hydroxy-4-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-2,4-dihydroxy-6-methoxyphenyl]ethanone	1.6634	0.2942	1.8032	0.2392
1,3,4,5-Tetracaffeoylquinic acid	1.0027	1.0313	0.4622	1.5038
1,3,4,5-tetra-O-galloylquinic acid	0.7864	0.9326	1.1290	1.1521
1-{[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine	1.4153	0.0974	2.3410	0.1464
13-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol	2.4905	0.0210	1.4750	0.0135
1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid	0.9723	1.1354	1.1837	0.7086
1,3,5-Trihydroxy-10-methylacridone	1.4293	0.5367	1.4728	0.5612
1-[3-(6-{2,4-dihydroxy-3-[(1E)-3-methylbut-1-en-1-yl]benzoyl}-5-(2,4-dihydroxyphenyl)-3-(hydroxymethyl)cyclohex-2-en-1-yl)-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)propan-1-one	0.8594	1.2987	0.1335	1.7084
1-[3-(6-{2,4-dihydroxy-3-[(1E)-3-methylbut-1-en-1-yl]benzoyl}-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl)-2,4,5-trihydroxyphenyl]-3-(2,4-dihydroxyphenyl)propan-1-one	2.8390	0.0736	0.9029	0.1845
1,3,6-Tri(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol	1.7480	0.4317	1.3183	0.5019
1,3,6-tri-O-galloyl-beta-D-glucose	1.1140	0.6791	1.4417	0.7652
1,3,7,8-Tetramethylxanthine	2.1301	0.0274	1.7805	0.0620
1,3,7-Trimethyluric acid	0.9437	0.2988	2.7027	0.0548
1,3,8-Trihydroxy-4-methyl-2,7-diprenylxanthone	1.0307	0.3178	1.7793	0.8722
1-(3-Acetamidophenyl)-5-mercaptotetrazole	0.9182	1.6596	0.2556	1.1667
1,3-Bis(2-methoxyphenyl)urea	2.0899	0.4091	0.9249	0.5761
1-(3-Chlorophenyl)-3-(3-fluorophenyl)urea	0.1991	0.2088	0.2907	3.3014
13-Demethyl tacrolimus	1.6026	0.0695	2.2458	0.0821
1,3-Dicaffeoylquinic acid	0.0775	0.4097	0.1122	3.4006
1,3-Dichloro-5-ethyl-5-methylhydantoin	0.3240	0.1454	3.4048	0.1258
1,3-Dihydroxy-6-methoxy-8-methyl-9-xanthenone	0.0345	2.3055	0.0468	1.6133
1,3-Dimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate	0.6648	0.7104	1.9074	0.7174
1,3-Dimethyluric acid	1.8520	0.6710	0.8364	0.6405
1(3H)-Isobenzofuranone, 3,3-bis(4-aminophenyl)-	1.0916	0.0080	2.8912	0.0092
13-Methylmyristic acid	0.8763	0.7190	1.3808	1.0238
1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione	0.1456	0.1389	0.1511	3.5645
13-Oxo-9,11-octadecadienoic acid	1.1039	0.0397	2.8065	0.0499
13(S)-Hydroperoxylinolenic acid	1.1495	0.3927	1.7209	0.7369
1-(3-(Trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione	0.4744	1.7356	0.5989	1.1911
14,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,6-diol	0.7122	0.9346	2.1514	0.2018
1,4,3^^,4^^,6^^-penta-O-acetyl-6-O-p-coumaroylsucrose	0.6617	0.1072	0.1084	3.1227
1,4,6-Trigalloyl-beta-D-glucopyranose	1.1069	0.7156	1.2054	0.9722
1,4-beta-D-Glucan	2.3210	0.4010	0.9243	0.3538
1-(4-bromophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid	0.1365	0.3237	2.8715	0.6683
1-((4-Bromophenyl)sulfonyl)piperidin-4-one	2.3059	0.0490	1.3596	0.2855
1-(4-Chlorobenzoyl)-4-((4-(2-oxazolin-2-yl) benzylidene))piperidine	0.0129	2.0673	0.0113	1.9085
1-(4-Chlorophenyl)-3-naphthalen-1-ylurea	0.3699	1.2811	0.5127	1.8363
1,4-Diamino-2,3-dichloroanthraquinone	1.8560	0.1590	1.7644	0.2206
1,4-Dihydroxy-2-naphthoic acid	0.1511	2.3882	0.2027	1.2580
1,4-Dihydroxy-6-naphthoic acid	0.6060	1.9247	0.9582	0.5111
1,4-Dimethoxyglucobrassicin	0.0416	1.9180	0.0413	1.9992
1,4-Dithiane-2,5-diol	2.1183	0.0581	1.7896	0.0339
(1-(4-fluorobenzyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone	0.0842	2.4486	0.0597	1.4075
1-(4-fluorophenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid	2.6555	0.0896	1.0623	0.1926
1-(4-Fluorophenyl)piperazine	0.4153	0.2660	3.1444	0.1742
1-(4-Fluorophenyl)piperazine dihydrochloride	2.3149	0.8202	0.2164	0.6484
1-[(4-fluorophenyl)sulfonyl]-2-methyl-1H-benzimidazole	0.0499	1.9469	0.0321	1.9711
1-(4-Hydroxy-2-methylpyrimidin-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium bromide	0.6083	0.7370	1.8240	0.8307
[1-(4-Hydroxyphenoxy)-1-phosphonoethyl]phosphonic acid	1.3248	0.6758	1.1249	0.8745
{[1-(4-hydroxyphenyl)-3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-en-1-yl]oxy}sulfonic acid	0.3795	1.8600	0.4606	1.2999
[1-(4-hydroxyphenyl)-3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)propoxy]sulfonic acid	0.1914	2.9994	0.0426	0.7666
1-(4-Hydroxyphenyl)-5-mercaptotetrazole	0.1660	0.1873	3.5275	0.1192
1-(4-Iodophenyl)piperazine	1.6915	0.1880	0.0929	2.0276
15-(1,3-Dihydroxy-3-methylbutyl)-4,18-dihydroxy-2-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one	0.2317	0.3687	0.2145	3.1850
15,17-dihydroxy-11-methoxy-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),4,10,14,16,18-heptaen-13-one	0.6759	1.3275	1.0463	0.9503
15,18-Ethano-3,25-methano-16,4-benzoxaazacyclotricosine-1,5,17,21,26(4H,18H)-pentone, 10,11,12,13,14,15-hexahydro-11,13,22,24,27-pentahydroxy-6,10,12,14,20,23,28-heptamethyl-, (10S,11S,12R,13S,14S)-	0.1936	2.1416	0.0906	1.5741
1-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3,4,6-trihydroxy-5-oxobenzo[7]annulene-8-carboxylic acid	0.0396	1.8165	0.0253	2.1185
15-Demethoxy-epsilon-rhodomycin	2.2384	0.2689	1.4323	0.0604
{1-[5-hydroxy-8-(2-hydroxypropan-2-yl)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-4-yl]propoxy}sulfonic acid	0.3344	2.5934	0.1076	0.9646
15-keto-17-phenyl trinor Prostaglandin F2 ethyl amide	0.9726	0.1818	2.7868	0.0588
15-keto Fluprostenol	0.0584	2.1153	0.0535	1.7728
15-Keto Travoprost	0.1430	2.0158	0.0337	1.8075
1,5-Naphthalene diisocyanate	1.4259	1.3289	0.4344	0.8107
(15S,16R,17S)-16-ethenyl-17-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18-oxa-10,13-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-3(11),4,6,8,19-pentaen-14-one	2.5509	0.0190	1.3220	0.1081
(15S,16S)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylic acid	0.5330	3.1232	0.1411	0.2027
15(S)-Fluprostenol	0.0950	1.9952	0.2818	1.6280
15(S)-HETE-biotin	2.3974	0.1140	1.3601	0.1285
1-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepane	0.2734	2.2605	0.1642	1.3019
16,16-Dimethyl-pgd2	0.9972	0.1512	2.7651	0.0865
1-[6-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-one	0.0820	2.4187	0.0213	1.4780
16alpha,17alpha-Dihydroxyprogesterone acetophenide	0.3646	1.6314	0.2643	1.7397
1,6-Bis(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol	1.4894	0.0277	2.4514	0.0316
1,6-bis-O-galloyl-beta-D-glucose	0.1266	2.0436	0.0161	1.8137
1-(6-Cyano-3-pyridylcarbonyl)-5^,8^-difluorospiro[piperidine-4,2^(1^H)-quinazoline]-4^-amine	0.0963	1.5778	0.0868	2.2391
1,6-Digalloyl-beta-D-glucopyranose	0.0694	1.9993	0.0467	1.8846
1,6-Dihydroxy-3,7-dimethoxy-2-(3-methyl-2-butenyl)-8-(3-hydroxy-3-methyl-1E-butenyl)-xanthone	1.3668	0.5330	1.6825	0.4178
1,6-Dimethoxypyrene	1.5419	0.0179	2.4143	0.0259
1,6-Dioxacyclohexadecane-7,16-dione	0.4056	1.1468	0.6221	1.8254
(16R,17S)-10,10,16,17-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione	0.3775	1.4672	0.3782	1.7771
17-[[3-(1-Pyrrolidinyl)propyl]imino]androst-5-en-3beta-ol acetate	0.1686	1.3188	0.0529	2.4597
1,7-Bis(4-hydroxyphenyl)-5-methoxy-3-heptanone	0.6183	1.3855	0.0678	1.9283
1,7-Dimethylguanosine	1.0513	0.6939	0.5606	1.6942
17-phenyl trinor PGF2 diethyl amide	0.9458	0.2516	2.5875	0.2152
17-phenyl trinor Prostaglandin A2	0.2068	1.2934	0.3536	2.1462
17R-hydroxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid	1.1677	0.0375	2.7528	0.0420
17-trifluoromethylphenyl-13,14-dihydro trinor PGF2	1.1813	0.0392	2.7539	0.0255
17-trifluoromethylphenyl-13,14-dihydro trinor Prostaglandin F2alpha	1.0260	0.1268	2.6130	0.2342
1,8,16,17,18,21,22,23,34,35,39,39-dodecahydroxy-6,9,12,27,30,40-hexaoxaoctacyclo[34.3.1.0(3).0,(2).0(1),(2).0(1),(1).0(2),(2).0(3)(2),(3)]tetraconta-3,14,16,18,20,22,24,32,34,36-decaene-2,5,13,26,31-pentone	1.1058	0.3960	1.3556	1.1427
1,8-Diaminoanthraquinone	0.8929	1.0674	0.9119	1.1279
1,8-Diazabicyclo[5.4.0]undec-7-ene	0.7550	1.2723	0.6025	1.3701
18-O-(2-Aminobenzoyl)delectinine	0.4648	2.3839	0.1992	0.9521
1-[(8Z,11Z,14Z)-icosatrienoyl]-sn-glycero-3-phosphocholine	1.4038	0.1053	2.4369	0.0540
19-hydroxy-17-oxoandrost-5-en-3-yl sulfate	2.6200	0.1475	0.8472	0.3853
1,9-Pyrazoloanthrone	1.2861	0.0458	2.4568	0.2113
1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine	1.8100	0.4117	1.3720	0.4063
1alpha-(beta-D-Glucopyranosyloxy)-7beta-hydroxy-7-[(3-methoxy-4-hydroxy-trans-cinnamoyloxy)methyl]-1,4aalpha,7,7aalpha-tetrahydrocyclopenta[c]pyran-4-carboxylic acid	0.1071	0.7128	1.7193	1.4607
1-Amino-1-deoxy-scyllo-inositol 4-phosphate	0.2106	1.7507	0.3027	1.7359
1-Amino-2-bromo-4-p-toluidinoanthraquinone	2.2206	0.3999	0.9736	0.4059
1-Bromo-2-ethoxynaphthalene	0.1889	2.1056	0.6251	1.0805
1-Bromo-3-(butane-1-sulfinyl)benzene	0.3789	1.9420	0.1883	1.4908
1-Caffeoyl-5-feruloylquinic acid	0.5342	1.1975	0.3081	1.9602
1-Cycloheptyl-3-cyclohexylurea	1.3807	0.2760	2.2078	0.1355
1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol 6-phosphate	0.8941	1.5229	0.6581	0.9248
1-Deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2H-benzo[G]pteridin-1-ID-10(5H)-YL)-5-O-phosphonato-D-ribitol	0.3389	1.3292	0.8609	1.4709
1D-myo-inositol 1,4-bisphosphate	0.0934	2.1599	0.1672	1.5796
1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside 3-phosphate	1.0965	1.3139	0.1357	1.4540
1D-myo-inositol 2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranoside	0.3214	2.6492	0.3127	0.7167
{[(1E)-5-oxo-1,7-diphenylhept-1-en-4-yl]oxy}sulfonic acid	0.0992	0.0318	3.7762	0.0928
1-eicosanoyl-2-[(11Z,14Z)-eicosadienoyl]-sn-glycero-3-phosphocholine	0.2790	1.5303	0.2009	1.9898
1-eicosanoyl-2-(11Z-eicosenoyl)-sn-glycerol	0.9774	1.4063	0.0602	1.5562
1-Eicosanoyl-sn-glycero-3-phosphocholine	0.7003	1.1587	0.6131	1.5280
1-Feruloyl-5-caffeoylquinic acid	0.1709	2.0193	0.0161	1.7937
1-Guanidiniumyl-1-deoxy-scyllo-inositol(1+)	0.9522	0.6884	0.6236	1.7358
1H-Benzotriazole	1.2273	0.2355	2.2762	0.2609
1-Heneicosanoyl-2-docosanoyl-sn-glycerol	0.1889	1.7993	0.1522	1.8595
1-Heptadecanoyl-sn-glycero-3-phosphocholine	0.9602	0.8830	1.0752	1.0816
(1-Heptan-2-yl-2-methylindol-3-yl)-naphthalen-1-ylmethanone	2.3244	0.3434	1.1043	0.2279
1-hexadecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phospho-(1^-myo-inositol)	0.9711	0.4367	1.5950	0.9972
1-Hexadecanoyl-sn-glycero-3-phospho-(1^-myo-inositol)	0.0777	1.7706	0.1922	1.9594
1-Hydroxy-2-naphthoate	0.0373	1.9493	0.0278	1.9856
1-Hydroxypyrene Glucuronide	1.7218	0.0255	2.2145	0.0383
1-Isopropyl citrate	2.6662	0.1603	0.9614	0.2122
1-Isothiocyanato-6-(methylthio)hexane	1.6831	0.1595	1.8717	0.2857
1-Isothiocyanato-7-(methylthio)heptane	2.4465	0.1348	1.3843	0.0343
1-Isothiocyanato-8-(methylthio)octane	2.4721	0.0884	1.3347	0.1048
1-Kestose	1.5928	0.0522	2.2830	0.0720
1-Linoleoyl-3-docosahexaenoyl-sn-glycerol	1.3248	0.1341	1.9981	0.5430
(1-methyl-1H-pyrazol-5-yl)boronic acid	0.6967	1.4349	1.5811	0.2874
1-Methyl 2-galloylgalactarate	0.7932	1.7706	0.5025	0.9338
1-Methylhistamine	2.2568	0.1111	1.4397	0.1924
1-Myristoyl-sn-glycerol 3-phosphate	1.2562	0.1288	1.7241	0.8909
1-(naphthalen-2-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone	0.0191	1.9530	0.0420	1.9859
1-Naphthaleneethanethioamide	1.3134	1.0114	1.3209	0.3543
1-Naphthoic acid	1.7516	0.9324	0.1850	1.1311
1-Naphthol	0.2498	1.5457	0.1572	2.0473
1-Naphthyl glucuronide	0.9373	1.4392	0.2499	1.3736
1-N-Boc-4-(4-Bromophenyl)piperidine	1.2499	0.9958	0.0970	1.6573
1-(Nitroguanyl)-3,5-dimethylpyrazole	0.9837	1.4533	1.0436	0.5194
1-Nitroso-2-methyl-2-[3-(methylaminio)propyl]hydrazine-1-olate	2.9513	0.2378	0.5040	0.3069
1-O-[3-(3,4-Dihydroxyphenyl)propenoyl]-4-O,6-O-digalloyl-beta-D-glucopyranose	1.0585	1.2684	0.2694	1.4036
1-O-(3,4-Dihydroxy-trans-cinnamoyl)-4-O,6-O-[[(aS)-4,4^,5,5^,6,6^-hexahydroxybiphenyl-2,2^-diyl]biscarbonyl]-beta-D-glucopyranose	1.2938	0.1185	2.5114	0.0763
1-O-(4-Coumaroyl)-beta-D-glucose	1.2271	0.0217	2.7318	0.0194
1-octadecanoyl-2-[(15Z)-tetracosenoyl]-sn-glycero-3-phosphocholine	3.2740	0.2234	0.2536	0.2490
1-Octadecanoyl-2-eicosanoyl-sn-glycero-3-phosphoethanolamine	1.0415	0.3900	2.2681	0.3004
1-Octadecanoyl-sn-glycero-3-phosphoethanolamine	1.8759	0.3332	1.4345	0.3564
1^-O-Galloylsucrose	0.6334	1.9454	0.0333	1.3880
1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine	0.2481	1.9504	0.8579	0.9436
1-Oleoyl lysophosphatidic acid sodium salt	0.7031	0.0396	3.0963	0.1610
1-O-p-Coumaroyl-(b-D-glucose 6-O-sulfate)	2.1043	0.8966	0.4919	0.5072
1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine	1.7515	0.2462	1.6686	0.3337
1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one	0.0283	2.0344	0.0126	1.9247
1-Phenyl-9-thioureido-3,6-diazahomoadamantane	0.1871	0.1457	3.4559	0.2113
1-(Phenylthio)anthraquinone	0.7610	1.1111	0.6901	1.4379
1-Phosphatidyl-D-myo-inositol	0.0224	1.9590	0.0189	1.9997
[(1R,13R)-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-yl] acetate	0.0055	2.1853	0.0016	1.8076
(1R,14R)-14-(ethylsulfanyl)-1-fluoro-17-hydroxy-2,15-dimethyl-14-(methylsulfanyl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one	0.2666	0.8072	0.1837	2.7426
(1R,18S,19R,20S)-19-Ethenyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one	0.9128	1.0439	0.8370	1.2063
(1R)-2,3,3a,8b-Tetrahydro-8bbeta-ethoxy-1alpha-hydroxy-6,8-dimethoxy-3abeta-(3-hydroxy-4-methoxyphenyl)-N-methyl-3beta-phenyl-1H-cyclopenta[b]benzofuran-2alpha-carboxamide	1.6043	0.1379	2.1147	0.1431
(1R,2R,3aR,5R,6E,10R,11S,13R,13aS)-1,3,3a,5,8,10,11,12,13,13a-Decahydro-1,2,3a,11,13-pentaacetoxy-10-(isobutyryloxy)-2,5,8,8-tetramethyl-12-methylene-4H-cyclopentacyclododecene-4,9(2H)-dione	1.7528	0.2027	1.7144	0.3301
[(1R,2R,3R,4R,5S,7S,8S,9R,10R,13S)-5,7,9,10,13-pentaacetyloxy-2-hydroxy-8,12,15,15-tetramethyl-4-tricyclo[9.3.1.03,8]pentadec-11-enyl]methyl acetate	1.1510	0.0580	2.6570	0.1340
(1R,2R,5R,8R,9S,10R)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid	0.2047	3.1151	0.2568	0.4234
[(1R,2R,6S,9R,11R,12S,13S,15R,17S,18R,19R,20R)-19-acetyloxy-17-(furan-3-yl)-20-hydroxy-8,8,12,18-tetramethyl-4-oxo-7,14-dioxahexacyclo[10.8.0.02,6.02,9.013,15.013,18]icosan-11-yl] acetate	1.0807	0.0705	2.7516	0.0973
[(1R,2R,6S,9R,12R,13R,15R,17S,18R,19R,20R)-19-acetyloxy-17-(furan-3-yl)-8,8,12,18-tetramethyl-4,11-dioxo-7,14-dioxahexacyclo[10.8.0.02,6.02,9.013,15.013,18]icosan-20-yl] acetate	3.0827	0.0975	0.2863	0.5335
(1R,2R)-N-((S)-1-(4-(5-Bromo-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)propan-2-yl)-2-phenylcyclopropanecarboxamide	0.0116	1.6972	0.0453	2.2460
[(1^R,2S,2^R,3^R,5^S,8^R,9^R,10^R,13^S)-2^,10^,13^-triacetyloxy-5^-[(3R)-3-(dimethylamino)-3-phenylpropanoyl]oxy-8^,12^,15^,15^-tetramethylspiro[oxirane-2,4^-tricyclo[9.3.1.03,8]pentadec-11-ene]-9^-yl] pyridine-3-carboxylate	1.5355	0.1968	2.0948	0.1728
[(1R,2S,3S,4R,7S,8R,9R,10S,12R,13S,14R,15R,18R)-2,9-diacetyloxy-14-chloro-13-(hydroxymethyl)-8,18-dimethyl-17-oxospiro[11,16,19-trioxapentacyclo[11.5.1.01,15.03,8.010,12]nonadecane-4,2^-oxirane]-7-yl] acetate	0.6746	2.0219	0.1449	1.1585
[(1R,2S,3S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methyl hydrogen sulfate	2.2211	0.1767	1.5477	0.0545
[(1R,3S,4R,8R,9E,13R,15R)-15-hydroxy-5-methylidene-6-oxo-7,14,16-trioxatetracyclo[8.4.3.01,13.04,8]heptadec-9-en-3-yl] 2-(hydroxymethyl)prop-2-enoate	0.0446	1.3043	0.0014	2.6497
(1R,4r)-4-((R)-1-aminoethyl)-N-(pyridin-4-yl)cyclohexanecarboxamide dihydrochloride	2.3846	0.1588	1.3597	0.0969
(1R,6R,11S,13S,14R,21R)-7,19,23-triazahexacyclo[9.9.1.11,13.12,6.07,21.014,19]tricosane	1.2821	0.6386	1.3282	0.7511
[(1S,12R,13S,14S,15S)-14-hydroxy-19,20-dimethoxy-13,14-dimethyl-15-[(Z)-2-methylbut-2-enoyl]oxy-18-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,19-pentaen-12-yl] (Z)-2-methylbut-2-enoate	2.6073	0.4170	0.4924	0.4833
(1S,12R,23R)-12-methyl-23-(2-methylbut-3-en-2-yl)-3,11,14,16-tetrazahexacyclo[12.10.0.02,11.04,9.015,23.017,22]tetracosa-2,4,6,8,17,19,21-heptaene-10,13-dione	0.3455	1.2626	0.2166	2.1752
1-S-[(1Z)-N-(sulfoxy)pentanimidoyl]-1-thio-beta-D-glucopyranose	1.8023	0.6078	1.2220	0.3678
(1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol	0.3357	1.4791	0.2444	1.9408
(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-[(N-acetyl-S-arsonato-L-cysteinyl)amino]-2-deoxy-alpha-D-glucopyranoside	1.0605	1.1678	0.3709	1.4009
[(1S,2R,3S,4S,5R,6S)-2,4-bis(diaminomethylideneazaniumyl)-5-[(3R,4R,5S)-3-[(3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylazaniumyl)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-3,6-dihydroxycyclohexyl] phosphate	1.0453	0.2007	2.4319	0.3221
[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[methyl(3-methylbutanoyl)amino]propanoate	0.5503	0.1512	3.1515	0.1471
[(1S,2R,5S,6S,7S,8R,9R,12R)-12-acetyloxy-7,8-dibenzoyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate	2.9072	0.1501	0.8085	0.1342
[(1S,2S,3R,4S,7R,9S,10S,11S,12R,15S)-2,4,12-triacetyloxy-1,9,11-trihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] acetate	0.8948	0.0049	3.0870	0.0133
[(1S,2S,3R,4S,7R,9S,10S,11S,12R,15S)-4,9,11,12,15-pentaacetyloxy-1-hydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] hexanoate	1.2953	0.1463	1.7503	0.8081
(1S,2S,4R,8R)-2-(beta-D-Glucopyranosyloxy)-p-menthane-1,8,9-triol	0.0170	1.8559	0.0733	2.0538
[(1S)-3-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-oxo-1-phenylpropyl]azanium	1.2836	0.0804	2.5385	0.0975
(1S,3R,4S,9R,13S,14R)-3-[(2S,5S)-5-(2,4-dibromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-13-hydroxy-9-[(1R)-1-hydroxyethyl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1(1,5)]octadecane-7,11-dione	0.0147	1.2648	0.0036	2.7169
(1S,3S)-3-ethyl-3,5,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside	0.6250	0.0990	3.2072	0.0688
[(1S,4R,5R,6S,8R,10S,11S,12R,15R,19S,21R)-4-acetyloxy-6-(furan-3-yl)-12,16,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-21-yl] acetate	0.0226	2.0559	0.0415	1.8799
(1S)-5alpha,7beta,9alpha,13alpha-Tetraacetoxy-2alpha,10beta-bis(benzoyloxy)-11,15-seco-1,11-cyclotaxa-4(20),11-dien-15-ol	3.3352	0.2437	0.1721	0.2489
[(1S,5R,6R,7S,9R)-7-benzoyloxy-2,6,10,10-tetramethyl-4-oxo-11-oxatricyclo[7.2.1.01,6]dodec-2-en-5-yl] furan-3-carboxylate	0.0224	2.7188	0.0171	1.2417
(1S,5R,7S,13S,20S)-11-hydroxy-5,10,13,14,15-pentamethoxy-7,20-diphenyl-2,8,21-trioxapentacyclo[11.8.0.01,17.03,12.04,9]henicosa-3,9,11,14,17-pentaen-16-one	0.5890	1.2505	1.6663	0.4942
(1S,6S,7R)-1-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6,7-dihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid	1.1998	0.0227	2.7458	0.0317
1-Salicylate glucuronide	0.2480	1.8996	0.0981	1.7543
1-Tetracosanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine	0.0924	2.0994	0.0623	1.7459
1-(Toluene-4-sulfonyl)piperazine	0.2609	1.2338	0.0772	2.4280
1-Vinylhexyl beta-D-glucopyranoside	1.2352	1.4592	0.1120	1.1936
20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol	2.4657	0.0900	0.9012	0.5430
(20E)-7-butyl-11,16,23,24,25-pentahydroxy-10,19,20-trimethyl-15-methylidene-8,13,28,29-tetraoxatetracyclo[22.3.1.13,6.012,14]nonacos-20-ene-9,18-dione	1.5427	0.2197	2.1559	0.0818
(20S)-2beta,4beta-Diacetoxy-3beta-(tigloylamino)-20-(methylamino)-16alpha,17alpha-epoxy-5alpha-pregnane	0.7869	1.4380	0.6213	1.1538
(20Z)-4,6,23-trichloropentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2,4,6,10(28),11,13,15,17,19(27),20,22,25-tridecaene-5,13,16,24-tetrol	0.0926	1.7584	0.1024	2.0465
[2-[10-[2,2-Dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-8-oxopyrano[3,2-g]chromen-5-yl]oxy-2,2-dimethyl-5-(2-methylbut-3-en-2-yloxy)-8-oxopyrano[3,2-g]chromen-7-yl]-2-methylbut-3-enyl] hydrogen sulate	0.6284	2.1103	1.2485	0.0128
2-(1,3-Benzodioxol-5-yl)-5-hydroxy-6,7-dimethoxychromen-4-one	0.0917	1.6163	0.2428	2.0493
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-chloro-4-fluorophenyl)acetamide	3.2836	0.1839	0.2537	0.2787
2-(1-ethylpyrrolidin-2-yl)-5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrole	1.7121	0.2278	1.8156	0.2445
2(1H)-Pyridinone, 3-[(2S,4S,5R)-5,6-dichloro-2,4-dimethyl-1-oxohexyl]-4-hydroxy-5,6-dimethoxy-	0.1692	0.0725	3.6714	0.0869
2-(1-methyl-1H-imidazol-5-yl)acetic acid	1.7431	0.0358	2.1000	0.1211
2-((1R,3S),-1^,9^-dihydroxy-1^-methyl-10^-oxo-3^,4^,5^,10^-tetrahydro-1H-benzo[g]isochromen-3^-yl)acetate	2.4960	0.1053	1.3516	0.0471
2-[2-[2-[2,4-dihydroxy-6-methyl-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-oxoethyl]-6-hydroxy-4-methylphenyl]-7-hydroxy-5-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one	0.8129	0.0853	3.0497	0.0521
2-[2-[(2-Azaniumyl-2-carboxylatoethyl)amino]-2-oxoethyl]-4-[2-[(4-carboxylato-4-oxobutanoyl)amino]ethylamino]-2-hydroxy-4-oxobutanoate	0.4685	1.9909	0.7927	0.7480
2-[2-[2-[Bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-phenylmethoxypropanoate;gadolinium(3+)	0.0736	1.3461	0.0906	2.4898
2-(2,3-dihydroxy-4-methoxyphenyl)-3,5,7-trihydroxy-6-methoxy-4H-chromen-4-one	3.1131	0.0609	0.8132	0.0127
(2-{2-[(3-Methoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid	1.2729	0.0133	2.6990	0.0148
{2-[(2-{4-[3-(2,4-dihydroxyphenyl)-3-oxoprop-1-en-1-yl]phenoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-4-hydroxy-4-(hydroxymethyl)oxolan-3-yl}oxidanesulfonic acid	0.0279	1.4921	0.0205	2.4595
2-(2,4-Dichlorophenyl)-3-(4-(dimethylamino)phenyl)acrylonitrile	0.3479	1.3683	0.5320	1.7518
2-((2,4-dichlorophenyl)amino)-N-((tetrahydro-2H-pyran-4-yl)methyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide	0.0320	2.6827	0.2011	1.0842
2-(2,4-Difluorophenoxy)propanohydrazide	1.4807	0.8464	1.2515	0.4214
2-(2,4-dihydroxy-5-methoxyphenyl)-3-(3,7-dimethylocta-2,6-dien-1-yl)-7-hydroxy-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one	1.0144	0.1428	2.5321	0.3106
2-(2,4-Dihydroxy-6-methoxy-benzoyl)-9-hydroxy-3-(4-hydroxy-3-methoxy-phenyl)-6-(4-methoxy-phenyl)-1,5-dioxa-cyclopenta[b]naphthalen-8-one	1.3986	0.2487	2.2125	0.1402
2-[(2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate	0.2520	1.7863	0.1069	1.8548
2-(2,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-4-one	0.3863	0.8824	0.1103	2.6210
2-(2,5-Dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one	0.6920	2.0644	0.5968	0.6469
2-(2,5-Dihydroxy-4-methylphenyl)-5-methylbenzene-1,4-diol	0.3684	1.6592	0.0909	1.8814
2-{2-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-5-hydroxy-4-methoxyphenyl}-3-hydroxy-7-sulfino-3,4-dihydro-2H-1-benzopyran-5-olate	0.0975	1.2519	0.0322	2.6184
2-(2,6-diaminohexanoylamino)acetic Acid	0.3464	0.6117	2.7009	0.3410
[2-[2,6-Dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(4-hydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone	0.0369	3.3132	0.0301	0.6198
2-(2,6-dihydroxy-4-{6-hydroxy-7-[(2E)-3-methyl-4-(sulfooxy)but-2-en-1-yl]-1-benzofuran-2-yl}phenyl)-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carboxylic acid	1.8313	0.2818	1.6437	0.2432
2-{2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]-3-methoxyphenyl}-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carboxylic acid	0.0477	2.3223	0.0348	1.5952
2-{2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]phenyl}-6-(2,4-dihydroxyphenyl)-4-(hydroxymethyl)cyclohex-3-ene-1-carboxylic acid	2.6070	0.1000	1.2435	0.0494
2-{2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]phenyl}-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carboxylic acid	0.0230	3.5088	0.1198	0.3484
2-[({2-[7,8,9,12,13,14,17,18,19,25-decahydroxy-24-(hydroxymethyl)-4,22,27-trioxo-3,23,26-trioxahexacyclo[13.10.3.1(2),.0,(1).0(1)(1),(2).0(1),(2)(1)]nonacosa-5(10),6,8,11,13,15(28),16,18,20-nonaen-29-yl]-3,4,5-trihydroxyphenyl}(hydroxy)methylidene)amino]acetic acid	2.2373	0.1296	1.5272	0.1059
2-[(2-Amino-3-hydroxypropanoyl)amino]pentanedioic acid	0.0323	2.1006	0.0388	1.8283
2,2^-Azobis(2-methylpropionamidine) dihydrochloride	2.4558	0.0661	1.4388	0.0393
2-(2-bromophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone	0.0393	1.5760	0.0903	2.2944
2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate	1.6275	0.0788	2.1562	0.1375
2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate	0.5040	0.0970	2.9536	0.4455
2,2-Dihydroperoxypropane	0.8122	0.8286	2.1453	0.2139
2,2^-Dihydroxy-4^,6^-dimethoxychalcone	2.3385	0.0342	1.5090	0.1183
2,2-dimethyl-3-phenyl-2,3-dihydroquinazolin-4(1H)-one	0.0428	2.1101	0.0289	1.8182
2,2-Dimethylsuccinic acid	1.5127	0.4873	1.4971	0.5030
2,2-Diphenylglycine	0.1317	1.3205	0.0256	2.5222
2-(2-hydroxy-3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one	2.2180	0.0575	1.6727	0.0519
2-{[2-(Methoxycarbonyl)phenyl]carbamoyl}benzoic acid	0.4939	1.8632	0.9464	0.6965
2-(2-Methyl-1H-imidazol-1-YL)-1-propanol	1.1920	0.2812	0.1074	2.4194
2-(2-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline	2.7610	0.1380	0.4778	0.6233
2-[(2R,3R)-2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin-6-yl]-5,7-dihydroxy-4H-1-benzopyran-4-one	1.3960	1.0284	0.4375	1.1381
2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6,7-tetrahydroxy-5,6-dimethylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one	2.4531	0.1797	0.8896	0.4776
2^,3,4,4^,6^-Pentahydroxychalcone	0.0876	1.8694	0.0652	1.9778
(2,3,4,5,6-pentahydroxycyclohexyl) 6-bromo-6^a,9^-dihydroxy-9^-methyl-1^,2,3^,10^-tetraoxospiro[1H-indole-3,8^-4,5,6,7-tetrahydropyrido[1,2-f]pteridine]-7^-carboxylate	2.7050	0.0694	1.1932	0.0324
2,3,4,5,6-Pentahydroxyhexyl 2-[2-[2-[2-(2-acetyloxy-3-methylbutanoyl)oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoate	0.2544	1.7357	0.0892	1.9207
2,3,4,5-tetrahydroxy-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-6-one	1.6073	0.0188	2.0455	0.3284
2-[(3-{4-[(6-Carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-methoxyphenyl}prop-2-enoyl)oxy]-3-hydroxybutanedioic acid	0.1058	1.2302	0.2097	2.4543
2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one	0.0185	1.9838	0.0446	1.9531
2,3^,4,6-Tetrahydroxybenzophenone	1.5746	0.5754	1.6532	0.1969
2,3,4,7,8,9,15,21,22,23,28-undecahydroxy-14-(hydroxymethyl)-13,25,32,35-tetraoxaoctacyclo[14.13.3.3(1),(2).0,(3).0,(1)(1).0(1),(2).0(1),(2).0(2),(3)(3)]pentatriaconta-1,3,5(30),6,8,10,19,21,23-nonaene-12,27,31,34-tetrone	0.0872	3.7804	0.0502	0.0821
2,3,4,7,8,9,15,21,22,23-decahydroxy-14-(hydroxymethyl)-13,25,32,35-tetraoxaoctacyclo[14.13.3.3(1),(2).0,(3).0,(1)(1).0(1),(2).0(1),(2).0(2),(3)(3)]pentatriaconta-1,3,5(30),6,8,10,19,21,23-nonaene-12,27,28,31,34-pentone	0.8655	1.8864	0.9743	0.2738
2,3,4,7,8,9,15,22,23,28-decahydroxy-14-(hydroxymethyl)-13,25,32,35-tetraoxaoctacyclo[14.13.3.3(1),(2).0,(3).0,(1)(1).0(1),(2).0(1),(2).0(2),(3)(3)]pentatriaconta-1,3,5(30),6,8,10,19(24),20,22,28-decaene-12,27,31,34-tetrone	1.4797	0.2311	2.1314	0.1578
2,3,4,7,8,9,15,22,23,28-decahydroxy-14-(hydroxymethyl)-13,25,32,35-tetraoxaoctacyclo[14.13.3.3(1),(2).0,(3).0,(1)(1).0(1),(2).0(1),(2).0(2),(3)(3)]pentatriaconta-1,3,5(30),6,8,10,19(24),20,22-nonaene-12,27,31,34-tetrone	0.0385	2.3274	0.0211	1.6130
2,3,4,7,8,9,15,22,23,33-decahydroxy-14-(hydroxymethyl)-13,25,32,35-tetraoxaoctacyclo[14.13.3.3(1),(2).0,(3).0,(1)(1).0(1),(2).0(1),(2).0(2),(3)(3)]pentatriaconta-1,3,5(30),6,8,10,19(24),20,22-nonaene-12,27,28,31,34-pentone	1.2695	1.1423	1.1436	0.4446
2-(3,4-dihydroisoquinolin-2(1H)-yl)-5-(trifluoromethyl)aniline	0.1008	2.0881	0.1889	1.6222
2-[3,4-dihydroxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-3,5,7-trihydroxychromen-4-one	0.1446	1.7889	0.0869	1.9796
[2-(3,4-Dihydroxy-5-sulfooxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] 3,4,5-trihydroxybenzoate	1.6266	0.0486	2.2887	0.0361
[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-6-yl]-7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid	2.1545	0.0768	1.7500	0.0187
2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate	1.3078	2.0104	0.0153	0.6666
2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one	0.0531	1.9141	0.0189	2.0138
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 2,3,4,5-tetrahydroxybenzoate	0.8851	1.1144	1.5792	0.4213
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one	1.2688	0.3803	1.9612	0.3898
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one	1.4256	0.0507	2.4973	0.0264
2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	2.0860	0.2128	0.3400	1.3612
2-(3,4-dihydroxyphenyl)-8-[1-(2,4-dihydroxyphenyl)-2-hydroxy-3-(3-hydroxyphenyl)propyl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol	0.2795	2.5379	0.4357	0.7469
2-(3,4-dihydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,6,7-tetrol	0.3142	0.6118	0.1965	2.8776
2-(3,4-dihydroxyphenyl)ethyl (5Z)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate	3.2180	0.0278	0.7296	0.0246
2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetrahydroxy-3-methoxychromen-4-one	0.0798	2.7214	0.0551	1.1437
2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-2,3-dihydrochromen-4-one	0.0125	2.4194	0.0046	1.5635
2-[3-[(4-Fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid	1.9565	0.5951	0.8045	0.6438
2,3,4-Trihydroxy-4^-ethoxybenzophenone	2.2118	1.3019	0.1707	0.3155
2,3,4^-Trihydroxy-4-methoxybenzophenone	0.1226	2.6686	0.2308	0.9779
2,3,4-tris[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-5-(2-methylpropanoyloxy)hexanedioic acid	1.0171	2.2081	0.1763	0.5986
2-(3,5-Dichloro-2-hydroxy-6-methoxy-4-methyl-benzoyl)-3,5-dihydroxy-benzoic acid	0.5749	0.1759	2.9700	0.2793
2-(3,5-dichloro-4-hydroxybenzylidene)-1H-indene-1,3(2H)-dione	0.7910	1.1024	0.7963	1.3103
{2-[3,5-dihydroxy-4-(sulfooxy)phenyl]-3-hydroxy-5-oxo-5H-chromen-7-yl}oxidanium	1.6743	0.2421	1.9250	0.1586
[2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid	0.5131	1.6148	0.4232	1.4489
2^^,3^^,6^^-Tris-O-(3,4,5-trihydroxybenzoyl)-3^-Glucosyl-2^,4^,6^-trihydroxyacetophenone	0.8769	1.6332	0.3507	1.1391
2,3-bis(Acetyloxy)propyl icosanoate	0.9724	0.8209	1.1656	1.0411
2-(3-Bromophenyl)-5-ethyl-1,3,4-oxadiazole	0.4855	0.1427	3.1415	0.2304
2-(3-Carboxy-3-aminopropyl)-L-histidine	0.1354	1.7938	0.0830	1.9879
2,3-Dehydrosilybin	0.0755	1.6352	0.0726	2.2167
2^,3^-Dideoxyinosine	0.0389	1.7547	0.0103	2.1961
2,3-diene-Valproic acid-CoA	1.0744	1.3630	0.8102	0.7524
2,3-Dihydro-2-(3,4-dihydroxyphenyl)-3,5-bis(3,4,5-trihydroxybenzoyloxy)-4H-1-benzopyran-7-ol	0.1238	1.7807	0.0309	2.0647
2,3-Dihydro-2,3-dihydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one	0.3880	1.2892	1.9273	0.3955
(2,3-Dihydroxy-4-methoxyphenyl)(phenyl)methanone	1.9395	0.0506	1.7649	0.2450
(2,3-Dihydroxy-4-oxo-5-phosphonatooxypentyl) phosphate	1.0864	0.7691	1.3055	0.8389
2,3-Dimercapto-1-propanol tributyrate	0.1244	1.7379	0.0629	2.0748
2,3-Dimethylmaleic anhydride	1.9822	0.6191	0.7110	0.6877
2,3-dinor Fluprostenol	0.3707	1.2436	0.0816	2.3041
2,3-Dioxo-6-nitro-7-sulfamoylbenzo(f)quinoxaline	0.1064	3.6211	0.0402	0.2323
2,3-Diphenyl-1-indenone	1.0405	0.3184	2.4328	0.2082
2,3-Diphenylquinoxaline-6-carboxylic acid	1.8430	0.0004	2.1297	0.0270
2-(3-Fluorophenyl)benzonitrile	1.3644	0.1801	2.3163	0.1391
2-(3-hydroxyphenyl)-4-[3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol	1.9481	0.4879	1.2452	0.3188
2-(3-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol	3.0801	0.1045	0.1229	0.6926
2,3-(S)-hexahydroxydiphenoyl-D-glucose	0.0203	2.1082	0.0054	1.8660
2-(3-(Trifluoromethyl)benzamido)acetic acid	1.3630	1.2040	0.7709	0.6621
2-[3-(Trifluoromethyl)phenyl]benzonitrile	0.6706	1.3775	0.6149	1.3371
2-(4-(1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)-1H-pyrazol-1-yl)ethanol	2.1157	0.0903	1.5955	0.1985
2-(4-(2-(Trifluoromethyl)benzoyl)piperazin-1-yl)thiazole-5-carboxamide	1.7019	0.4617	1.6740	0.1624
2-[[4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1-oxopentyl]amino]acetic acid	1.2784	0.0378	2.6584	0.0255
2-[4-[3-[2-(2-Chloro-6-fluorophenyl)ethyl-[(2,3-dichlorophenyl)carbamoyl]amino]propyl]phenoxy]-2-methylpropanoic acid	2.7433	0.1254	1.0637	0.0675
[2-[[[[4-[[3-(2-Acetylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] phosphate	0.0805	2.5133	0.1255	1.2807
2-(4-{3-[2-(trifluoromethyl)-4a,9a-dihydro-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethanol	0.3079	2.0102	0.0025	1.6794
2-[4-(4-Methylbenzenesulfonyl)piperazin-1-yl]pyridine-3-carbonitrile	0.1450	1.7618	0.6141	1.4791
[2-({4,5-dihydroxy-2-[4-(7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-4-hydroxy-4-(hydroxymethyl)oxolan-3-yl]oxidanesulfonic acid	0.1699	2.1790	0.1269	1.5241
{2-[(4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-4-hydroxy-4-(hydroxymethyl)oxolan-3-yl}oxidanesulfonic acid	1.3726	0.1316	2.3412	0.1546
2-[4,5-Dihydroxy-2-(hydroxymethyl)-10-oxo-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-yl]-1,8,10-trihydroxy-6-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-one	0.2313	2.8658	0.0877	0.8152
2-(4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl)-5-(octyloxy)phenol	1.5120	0.0764	2.3213	0.0903
2,4,6-Triethyl-1,3,5-oxadithiane	0.1286	0.8694	0.0055	2.9966
{2,4,6-trihydroxy-2-[(4-hydroxyphenyl)methyl]-2,3-dihydro-1-benzofuran-3-yl}oxidanesulfonic acid	0.0042	1.9336	0.0045	2.0577
2,4,6-Trihydroxybenzoic acid	0.1950	2.4016	0.0747	1.3287
2^,4^,6^-Trihydroxydihydrochalcone	1.1733	1.1395	0.2813	1.4059
2-(4-Carboxyphenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide potassium salt	0.0720	2.6562	0.0770	1.1947
2-({4-Chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)octanoic acid	0.3000	1.7898	0.1769	1.7334
2-(4-Chlorobenzylthio)-1H-benzo[d]imidazole	0.0941	2.4128	0.0784	1.4148
2,4-Dichlorobenzoyl-CoA	1.6451	0.6315	1.2833	0.4401
[2,4-dihydroxy-3-[(E)-3-methylbut-1-enyl]phenyl]-[6-(2,4-dihydroxyphenyl)-2-(2,6-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]methanone	0.0731	2.1563	0.0179	1.7526
2^,4-Dihydroxy-4^,6^-dimethoxychalcone	0.8476	1.1770	0.2413	1.7341
(2,4-dihydroxyphenyl)-[(1R,2S,6S)-6-(2,4-dihydroxyphenyl)-2-[4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl]-4-methylcyclohex-3-en-1-yl]methanone	0.1072	3.1298	0.0702	0.6928
(2,4-Dihydroxyphenyl)-[6-(2,4-dihydroxyphenyl)-2-[2-(3,5-dihydroxyphenyl)-6-hydroxy-1-benzofuran-5-yl]-4-methylcyclohex-3-en-1-yl]methanone	1.2428	0.0192	2.7076	0.0305
2,4-Di-tert-butylphenol	1.3964	0.6502	1.3269	0.6265
2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]acetic acid	0.0558	0.0072	0.3690	3.5680
2-(4-Ethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one	1.5241	0.0288	2.3617	0.0855
2-(4-Fluorophenyl)quinoline-4-carboxylic acid	0.0435	2.1995	0.0522	1.7048
2,4-Heptadecanedione	1.0077	0.1222	2.6846	0.1855
2-(4-hydroxy-3-methoxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,6,7-tetrol	0.6416	1.0190	1.0890	1.2504
2-(4-Hydroxyphenyl)-3,5-dihydroxy-7-(6-O-acetyl-beta-D-glucopyranosyloxy)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	0.0224	1.8516	0.0769	2.0491
2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one	0.0620	2.2476	0.0431	1.6473
2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one	0.7768	1.0921	1.8376	0.2936
2-((4-Pyridinylcarbonyl)hydrazono)pentanedioic acid	0.2964	2.2548	0.0531	1.3957
2-[5-[(5-tert-butyloxazol-2-yl)methylsulfanyl]thiazol-2-yl]-N-[4-[[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]methyl]phenyl]acetamide	1.7487	0.6196	1.0993	0.5325
{2-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-3-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acid	1.5297	1.3507	0.3025	0.8171
{2-[5,7-dihydroxy-2-(3-hydroxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-8-yl]-4,5-dihydroxyoxan-3-yl}oxidanesulfonic acid	1.8435	0.1773	1.8175	0.1616
[2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate	0.0104	2.7666	0.1543	1.0687
[2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate	1.7675	0.2806	1.3677	0.5841
[2-[5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]-4-hydroxy-6-methyl-5-oxooxan-3-yl] hydrogen sulate	0.6153	1.9169	0.6064	0.8614
{2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl}oxidanesulfonic acid	2.4041	0.5232	0.7183	0.3543
{2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-6-methyl-5-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl}oxidanesulfonic acid	0.0079	2.3470	0.0135	1.6316
[2-(5,7-Dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-8-yl)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulate	0.6738	2.0105	0.6711	0.6445
(2-{5,7-dihydroxy-4-oxo-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-3-yl}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxidanesulfonic acid	1.6568	1.2085	0.3379	0.7968
2-(5-amino-1H-tetrazol-1-yl)acetohydrazide	1.0663	0.2149	2.5517	0.1671
2-[(5-Chloro-1,3-benzothiazol-2-yl)sulfanyl]acetic acid	0.2724	2.5682	0.1567	1.0027
2^,5-Dichloro-2-hydroxybenzophenone	0.5362	0.5163	2.6353	0.3122
2^,5^-Dichloro-2-hydroxybiphenyl	0.9377	1.0943	1.0339	0.9341
2^,5^-Dichlorobiphenyl-3-ol	1.1291	0.7848	1.2772	0.8089
2,5-Difluorobenzyl alcohol	1.9459	1.1218	0.5870	0.3453
[2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)-4-(3-phenylpropanoyloxy)phenyl] (3S)-3-acetyloxybutanoate	0.9061	0.1041	2.9071	0.0827
(2,5-Dihydroxy-4-methoxyphenyl)-phenylmethanone	1.8961	0.0980	1.5544	0.4515
[2,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] 3,4,5-trihydroxybenzoate	0.0387	2.2952	0.0283	1.6378
2,5-dihydroxybenzoyl-CoA(4-)	0.2657	1.2260	0.0968	2.4115
(25S)-5beta-spirostan-3beta-yl beta-D-glucoside	0.9139	0.5341	1.0825	1.4695
2^^,6^^-Diacetyloninin	1.7036	0.4406	1.4760	0.3798
2,6-Difluoro-3-sulfamoylbenzoic acid	0.9413	0.1890	2.6938	0.1759
[2,6-dihydroxy-4-(7-methyl-11-oxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,8-dioxatricyclo[7.3.1.0,(1)(3)]trideca-1(12),3,5(13),6,9-pentaen-3-yl)phenoxy]dihydroxyoxo-lambdasulfanylium	0.8204	1.8165	0.4816	0.8815
2,6-Dimethoxy-4-[(E)-3-(beta-D-glucopyranosyloxy)-1-propenyl]phenyl beta-D-glucopyranoside	1.6079	0.0726	2.2503	0.0692
26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate	0.8547	0.0074	3.0533	0.0846
2-[(6S,6aR,10aR)-1-hydroxy-3-(6-hydroxy-1-benzofuran-2-yl)-7,7,9-trimethyl-6,6a,8,10a-tetrahydrobenzo[c]chromen-6-yl]-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol	0.0333	2.2877	0.0300	1.6490
2^,7-Diacetyltaxol	2.4661	0.0667	1.4113	0.0559
2,7-Dideacetoxytaxinine J	1.9971	0.0721	1.8640	0.0668
2,7-Dihydroxy-5-methyl-1-naphthoic acid	0.6103	1.4776	0.4677	1.4444
2-[[7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	0.7994	1.3670	0.9454	0.8883
2,8-Dihydroxyadenine	0.7615	2.5698	0.2795	0.3893
28-Homobrassinolide	0.9925	0.9697	1.0786	0.9592
28-Hydroxy-6-methyl-5-tritriacontanone	0.1334	1.7680	0.2717	1.8269
2-[(9S)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-yl]-1,8-dihydroxy-6-(hydroxymethyl)anthracene-9,10-dione	1.2861	0.0908	2.5531	0.0701
[2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate	1.3587	0.6930	1.4083	0.5400
2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-6-O-sulfo-D-galactopyranose	0.0589	1.4351	0.0486	2.4574
2-(Acetyloxy)-3-methylbenzoic acid	0.0098	2.5995	0.0049	1.3858
2alpha-(beta-D-Glucopyranosyloxy)-7-methoxy-2H-1,4-benzooxazine-3(4H)-one	0.3554	2.2068	0.2248	1.2129
2-alpha-D-glucosyl-D-glucose	2.7602	0.0470	1.1129	0.0799
2-amino-3-hydroxy-4-methylbenzoyl-AMP(1-)	2.3692	0.1490	1.3086	0.1732
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(2-hydroxyphenyl)-3-oxopropyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid	2.4538	0.0545	1.4115	0.0802
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(3,5-dihydroxyphenyl)-2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)ethyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid	0.0484	3.8629	0.0108	0.0779
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1,3-dihydroxy-1-(2-hydroxyphenyl)propan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid	0.0770	1.9701	0.4436	1.5092
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1,3-dihydroxypropan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid	2.4183	0.3061	1.0392	0.2365
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(1-hydroxy-2,4-diphenylbutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid	0.2770	3.1288	0.1246	0.4695
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-({1-hydroxy-3-[2-(2-hydroxypropan-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-6-yl]-3-methylbutan-2-yl}sulfanyl)ethyl}-C-hydroxycarbonimidoyl)butanoic acid	0.1207	1.3278	0.1857	2.3657
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid	0.3605	2.6559	0.2083	0.7753
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-({2,3,4,6-tetrahydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl}sulfanyl)ethyl}-C-hydroxycarbonimidoyl)butanoic acid	0.2934	1.0515	0.2494	2.4057
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-{3,5-dihydroxy-4-[(1E)-3-methylbut-1-en-1-yl]phenyl}-2-hydroxy-1-(4-hydroxyphenyl)ethyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid	1.2507	0.1210	2.5024	0.1259
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-({2-[3,5-dihydroxy-4-(3-methylbut-2-en-1-yl)phenyl]-1-(2,4-dihydroxyphenyl)-2-hydroxyethyl}sulfanyl)ethyl}-C-hydroxycarbonimidoyl)butanoic acid	0.9873	1.1102	0.1248	1.7778
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2,3-dihydroxy-1-phenylpropyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid	0.0466	1.0557	0.0692	2.8284
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(3-oxo-1-phenylpropyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid	0.1098	1.8421	0.0096	2.0385
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[5,9-dihydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-2-oxo-4-phenyl-2H,8H,9H,10H-pyrano[2,3-h]chromen-10-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid	3.3425	0.0690	0.5113	0.0771
2-amino-4-({2-[(2-carboxy-2-hydroxy-1-phenylethyl)sulfanyl]-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid	0.0066	2.0466	0.0045	1.9423
2-Amino-4,5-dihydronaphtho[1,2-b]thiophene-3-carbonitrile	2.5057	0.3169	0.7126	0.4648
2-Amino-4-carboxypyrimidine	0.5379	1.7485	0.2588	1.4548
(2-amino-4-oxo-6-sulfanyl-7-sulfido-1,5,5a,8,9a,10-hexahydropyrano[3,2-g]pteridin-8-yl)methyl phosphate	1.6844	0.5813	0.7472	0.9871
2-Amino-5-[[amino-[[5-[[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]amino]methylidene]amino]pentanoic acid	3.1588	0.1272	0.5031	0.2110
2-Amino-5-nitrobenzophenone	0.7553	0.6695	1.7715	0.8037
2-Amino-5-oxocyclohex-1-enecarbonyl-CoA	1.0370	0.1318	2.6075	0.2237
2-amino-6-(1,2,3-trihydroxypropyl)-7,8-dihydro-1H-pteridin-4-one	0.1106	2.0655	0.3362	1.4877
2-amino-6-[(2S)-2-hydroxypropanoyl]-7,8-dihydro-1H-pteridin-4-one	0.3070	1.3954	0.1852	2.1123
2-Amino-6-[[4,5-dihydroxy-3-oxo-6-(phosphonooxymethyl)oxan-2-yl]amino]hexanoic acid	1.5556	0.0425	2.3321	0.0697
2-amino-6-(ethylamino)-1H-1,3,5-triazin-4-one	1.4721	0.2823	2.1720	0.0735
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one	1.4636	0.5351	1.8880	0.1133
2-ammonio-3-(5-hydroxy-1H-indol-3-yl)propanoate	1.3637	0.1296	2.3258	0.1808
2-azaniumyl-5-[[1-[[1-carboxylato-4-[[1-(2-carboxylatoethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-4-oxobutyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoate	0.0909	1.0798	0.0702	2.7591
2-Azaniumyl-5-[[3-[[2-[(4-azaniumyl-4-carboxylatobutanoyl)amino]-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoate	0.1840	2.5574	0.0474	1.2112
2-Benzyl-4-chlorophenol	1.5111	0.8463	0.8005	0.8421
2-benzyl-4-(octahydro-1H-isoindol-2-yl)-4-oxobutanoic acid	1.2357	0.0531	2.6153	0.0959
2-Benzylmalate	2.5718	0.2838	0.9537	0.1906
2-Benzylsuccinic acid	2.6823	0.0799	0.7461	0.4916
2-Caffeoylisocitrate	1.1842	0.0240	2.7717	0.0201
2-C-((Galloyloxy)methyl)-D-ribose 5-gallate	0.0184	2.0303	0.0059	1.9454
2-Chloro-1,3,8-trihydroxy-6-(2-hydroxypropyl)anthracene-9,10-dione	0.7742	1.5920	0.3081	1.3257
2-Chloro-3-(phenethylamino)naphthalene-1,4-dione	0.2418	3.4903	0.1447	0.1232
2-Chloro-4-biphenylol	0.7142	0.5855	1.8853	0.8150
2-Chloro-5-fluorobenzimidazole	1.0082	1.0084	0.5690	1.4144
2-Chloro-5-nitro-N-4-pyridinylbenzamide	1.3211	0.2391	2.2553	0.1845
2-Chloro-5-nitro-N-phenylbenzamide	0.0600	1.5512	0.0229	2.3659
2-Chlorobenzyl Carbamimidothioate	0.1106	1.8646	0.1113	1.9135
2-chloro-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}acetamide	2.0147	0.0355	1.8786	0.0713
2-Chloro-N-[5-(4-fluoro-benzyl)-thiazol-2-yl]-acetamide	0.4414	1.6457	0.4107	1.5022
2^-C-Methylmyricetin 3-rhamnoside 5^-gallate	0.0938	1.8996	0.0169	1.9897
2-Cyano-3-(3-hydroxyphenyl)acrylic Acid	1.2644	0.1114	2.5083	0.1159
2-dehydro-D-gluconic acid	2.0572	0.4274	1.2497	0.2657
2-dehydropantoate	1.3904	0.5843	1.4383	0.5870
2^-deoxy-5^-O-[({[(hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]uridine	0.5462	0.6733	1.1431	1.6374
2-deoxy-5-O-phosphono-D-erythro-pentose	0.1179	1.6994	0.1131	2.0697
2^-Deoxyadenosine 5^-triphosphate	0.3019	2.2357	0.0859	1.3765
2^-Deoxycytidine-5^-monophosphate	0.2258	1.7698	0.0848	1.9197
2-Deoxy-D-ribono-3,5-bis(tripolyphosphate)-1,4-lactone	2.0014	0.0413	1.8568	0.1005
2^-Deoxyinosine	0.6352	1.7231	0.1840	1.4577
2-Deoxyribose 5-triphosphate	1.2361	0.4960	1.3287	0.9393
2-Deoxystreptamine 4-phosphate	0.7351	2.0050	0.1310	1.1289
2^-Deoxyuridine 5^-monophosphate	0.2703	1.5308	0.1424	2.0565
2-(Dimethylamino)ethanesulfonic acid	0.2692	0.9116	0.3595	2.4597
2-Dodecylbenzenesulfonic acid	1.0270	0.8929	1.2239	0.8562
(2E)-3-{4-hydroxy-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methoxyphenyl}prop-2-enoate	1.8424	0.0233	2.1195	0.0148
(2E)-4-[(1S,3aR,12aR,14S)-1-(Methoxycarbonyl)-9-(3-methyl-2-butenyl)-3,3,13,13,14-pentamethyl-8-hydroxy-3,3a,4,5-tetrahydro-10,11-(epoxyethano)-5,7-dioxo-7H-furo[3,4-d]xanthene-1-yl]-2-methyl-2-butenoic acid	1.5392	0.0567	2.3226	0.0814
(2E)-4-[(1S,3aR,5S,12aR,14S)-9-(3-Methyl-2-butenyl)-3,3,13,13,14-pentamethyl-5-methoxy-8-hydroxy-3,3a,4,5-tetrahydro-1,5-methano-10,11-(epoxyethano)-7,16-dioxo-7H-furo[3,4-d]xanthene-1-yl]-2-methyl-2-butenoic acid methyl ester	0.8314	0.2243	2.6071	0.3371
(2E,4E)-8-Hydroxy-2,7-dimethyl-2,4-decadienedioic acid 1-beta-D-glucopyranosyl ester	3.4086	0.1744	0.3005	0.1165
2-(E)-O-feruloyl-D-galactaric acid	0.4297	0.2858	0.7476	2.5370
2-Ethyl-3-methylpyrazine, 9CI	1.1317	0.8212	1.3839	0.6632
2-Ethylhexyl diphenyl phosphate	1.4313	0.0709	2.4637	0.0341
2-(Ethylsulfonyl)ethanol	0.4558	0.0518	2.9603	0.5321
2-Feruloyl-1,2^-disinapoylgentiobiose	0.0278	2.6449	0.0410	1.2864
2-Fluorophenethylamine	0.7477	0.2969	2.7044	0.2510
2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine	1.5059	0.6780	0.5311	1.2849
2-Furoic acid	1.1794	0.2342	1.5600	1.0264
2H-Azepin-2-one, 1,1^-(1,3-phenylenedicarbonyl)bis[hexahydro-	2.2676	0.0475	1.4131	0.2718
2-Hydrazino-4-methyl-6-(trifluoromethyl)pyrimidine	0.7497	1.4010	0.4441	1.4051
(2-hydroxy-1,2-diphenylethoxy)sulfonic acid	1.5861	0.1391	2.0203	0.2545
(2-Hydroxy-12-methoxy-18-methyl-11,17-dioxo-5-oxa-13,14,15,16-tetrathia-10,18-diazatetracyclo[10.4.2.01,10.03,9]octadeca-3,6-dien-8-yl) 3-(5-formyl-2-hydroxyphenoxy)-4-methoxybenzoate	0.0347	3.5058	0.1121	0.3475
2-Hydroxy-1,4-naphthoquinone	0.1350	1.6213	0.2158	2.0280
[2-hydroxy-1-(7-hydroxy-1-oxo-1H-isochromen-3-yl)butoxy]sulfonic acid	0.4318	1.1400	0.3470	2.0812
(2-hydroxy-2-{9-[(3-methylbut-2-enoyl)oxy]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propoxy)sulfonic acid	1.3588	0.0675	2.5305	0.0432
2-Hydroxy-2H-benzo[h]chromene-2-carboxylate	0.0607	2.8524	0.0545	1.0323
2-Hydroxy-2-phenylpropanoic acid	2.3727	0.8525	0.1901	0.5847
[2-hydroxy-3-(3-oxoprop-1-en-1-yl)phenyl]oxidanesulfonic acid	1.3547	0.0243	2.6040	0.0169
2-{[hydroxy({3,4,8,9,10-pentahydroxy-6-oxo-7-[5,6,12,13,14-pentahydroxy-4-(hydroxymethyl)-9-oxo-3,8-dioxatricyclo[8.4.0.0(2),]tetradeca-1(14),10,12-trien-11-yl]-6H-benzo[c]chromen-1-yl})methylidene]amino}acetic acid	0.0357	2.6934	0.0111	1.2598
[2-hydroxy-3-(7-hydroxy-4-oxo-4H-chromen-2-yl)-6-methoxyphenyl]oxidanesulfonic acid	0.0227	2.2001	0.0197	1.7575
[2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate	1.3654	0.4055	1.8514	0.3777
2-Hydroxy-3-(trifluoromethoxy)benzoic acid	0.5255	1.7988	0.4867	1.1890
2-Hydroxy-5-[(3,4,5-trimethoxybenzoyl)amino]benzoic acid	0.1169	1.1967	0.1226	2.5639
[2-hydroxy-5-(3,5,6,7-tetrahydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid	1.3137	0.1204	2.4408	0.1251
(2-hydroxy-5-{3,5,7-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenyl)oxidanesulfonic acid	0.0826	2.2500	0.0078	1.6596
(2-hydroxy-5-{5-hydroxy-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-2-yl}phenyl)oxidanesulfonic acid	0.1792	0.0829	3.4827	0.2551
{2-hydroxy-5-[7,15,23-trihydroxy-11,19-bis(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1(2),.1(1),(1)(3).0(2)(1),(2).0,(2).0(1),(2)]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaen-3-yl]phenyl}oxidanesulfonic acid	1.5571	0.7090	0.8114	0.9226
[2-hydroxy-6-(3-methylbut-2-en-1-yl)-4-{1-oxo-1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propan-2-yl}phenyl]oxidanesulfonic acid	0.0108	1.8750	0.0943	2.0199
[2-hydroxy-6-methoxy-4-(3-oxobutyl)phenyl]oxidanesulfonic acid	0.0321	1.5719	0.0097	2.3863
2-hydroxybenzoyl-AMP(1-)	1.1485	0.3563	2.1317	0.3635
2-Hydroxybutyric acid	2.0942	0.6911	0.5494	0.6654
2-Hydroxychromene-2-carboxylate	0.1182	2.3479	0.1027	1.4312
2-Hydroxycyclohexane-1-carbonyl-CoA	0.1142	1.8001	0.0671	2.0186
2-[hydroxy-[(E,2S,3R)-3-hydroxy-2-[[(Z)-tetracos-15-enoyl]amino]heptadec-4-enoxy]phosphoryl]oxyethyl-trimethylazanium	0.0206	0.9846	0.0311	2.9638
2-Hydroxyeriodictyol	0.1504	3.0154	0.0698	0.7645
2-Hydroxyglutarate	1.0881	0.2241	2.1595	0.5284
2-Hydroxy-imipramine glucuronide	1.3896	0.1510	1.9081	0.5513
2-Hydroxyisophthalic acid	0.3289	2.0905	0.1968	1.3838
[2-(Hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 4-hydroxy-3-methoxybenzoate	2.6926	0.2991	0.8203	0.1880
2^-Hydroxytaxine II	0.5013	0.4813	0.0476	2.9698
2-Hydroxyxanthone	0.0364	2.1197	0.0292	1.8147
2-Isopropoxy-5-trifluoromethyl-phenylamine	3.4108	0.1189	0.3745	0.0957
2-Keto-L-gulonic acid	1.9185	0.5483	1.1891	0.3442
2-Methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene	3.6696	0.0693	0.1507	0.1104
[2-methoxy-4-(3,5,6-trihydroxy-7-sulinooxy-3,4-dihydro-2H-chromen-2-yl)phenyl] hydrogen sulate	2.7461	0.0893	1.0236	0.1409
[2-methoxy-4-(3,5,7-trihydroxy-5H-chromen-2-yl)phenyl]oxidanesulfonic acid	0.9429	0.4296	2.0720	0.5555
2-(Methoxycarbonyl)benzoic acid	0.0883	2.4029	0.0865	1.4223
2-Methoxyethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate	0.1447	0.1755	3.5896	0.0902
[2-(methoxymethyl)-5-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid	0.0515	1.8228	0.0160	2.1097
2-Methyl-2-(4-((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxamido)methyl)phenoxy)propanoic acid	1.3779	0.1219	2.4526	0.0476
2-Methyl-3-(pyrimidin-2-YL)propanoic acid	1.1231	0.8093	1.4006	0.6669
2-Methyl-6-(furfurylthio)pyrazine	2.4005	0.1590	1.2263	0.2142
2-Methylbenzoic acid	0.1949	0.0214	3.7204	0.0633
2-methyl citric acid	0.5934	1.7363	0.1921	1.4783
2-(Methylsulfonyl)-5-(trifluoromethyl)-1,3,4-thiadiazole	2.9745	0.3878	0.3782	0.2595
2-(Morpholin-4-yl)ethyl 2,4-dihydroxybenzoate	2.0941	0.3286	1.2507	0.3266
2-N,6-N-Bis(2,3-dihydroxybenzoyl)-L-lysine amide	0.3624	2.1221	0.0756	1.4400
2-naphthoayl-coenzyme A	2.2282	0.0628	1.6576	0.0514
2-Naphthol	1.6705	1.2866	0.3360	0.7070
2-(n-Heptanoyl)thiophene	0.9740	0.4488	2.3178	0.2595
2-Nitro-5-(phenylthio)aniline	1.0242	0.6978	0.1861	2.0919
2-Nitrofluorene	0.0508	1.6915	0.0470	2.2107
2-O,3-O-Digalloyl-4-O-(3,4-dihydroxy-tras-cinnamoyl)-L-threonic acid	0.1905	2.1024	0.1720	1.5352
2^^-O-Acetyl-3^-O-Methylrutin	2.6430	0.1147	1.1763	0.0660
2^^-O-acetyl-ADP-D-ribose(2-)	1.1046	0.6652	1.5061	0.7240
2-O-(alpha-D-glucopyranosyl)-D-glyceric acid	1.0156	0.7244	1.7943	0.4657
2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose	0.2205	2.3457	0.0756	1.3582
2-O-alpha-mannosyl-D-glycerate	0.6723	1.5351	0.6928	1.0998
2-O-Feruloyltartronic acid	0.0226	1.6595	0.0213	2.2966
2^-O-Methyllicodione	0.9633	0.3858	2.5792	0.0717
2^-Oxoaloesol 7-glucoside	2.3464	0.7391	0.1276	0.7869
2-Oxoarginine	1.7751	1.0354	0.4301	0.7594
2-Oxobrimonidine	3.5350	0.0259	0.1855	0.2536
2-Oxoglutaramate	0.3297	2.2497	0.2630	1.1576
2-Oxoglutaroyl-CoA	0.4493	0.3265	2.7030	0.5213
2-Oxophytanic acid	1.0648	0.2580	2.0318	0.6455
2-Oxovaleric acid	2.1396	0.2572	1.4702	0.1329
2-phenyl-N-(1-phenylethyl)quinazolin-4-amine	2.4664	0.1813	1.2266	0.1256
2-Phenylpropan-1-amine hydrochloride	0.7202	1.5717	0.5802	1.1280
2-Phloroeckol	2.1361	0.0644	1.0726	0.7269
2-Phthalimidoglutaric acid	0.8832	1.1196	1.0567	0.9405
2-Piperidinone	0.7697	1.3722	0.5678	1.2903
2-Propanone, 1-chloro-3-(triphenylphosphoranylidene)-	1.4255	1.0333	1.0596	0.4816
2-Propenamide, 2-cyano-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]-	1.1125	1.1111	0.5845	1.1919
(2r)-1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one	0.0914	3.3263	0.0323	0.5499
(2R)-1-[(2E)-2-(6-carboxy-2-carboxylato-2,3-dihydro-1H-pyridin-1-ium-4-ylidene)ethylidene]-6-oxido-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate	0.5021	2.4277	0.5939	0.4764
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-(10-methyldodecanoyloxy)propan-2-yl] 22-methyltetracosanoate	1.8192	0.3311	1.6191	0.2305
[(2R)-1-[(Z)-hexadec-9-enoyl]oxy-3-pentadecanoyloxypropan-2-yl] (Z)-octadec-9-enoate	0.3524	2.0772	0.4788	1.0917
(2R)-2-[[(2R,3S,4R,5S)-5-[(2R,3S,4S)-5-[4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-5,6,6a,7-tetrahydro-4H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxypentanedioate	1.8049	0.8455	0.5880	0.7616
(2R)-2-[(3aS,4R,7S,7aR)-3a,7a-dimethyl-1,3-dioxo-4,5,6,7-tetrahydro-4,7-epoxyisoindol-2-yl]-6-aminohexanoic acid	1.4597	0.0707	2.3398	0.1298
(2R)-2-[(3R,8S,9R,10R,13R,14S,16R,17R)-3-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-16-hydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-5-propan-2-ylfuran-3-one	0.6246	1.0225	0.3883	1.9646
(2R)-2-amino-3-[1-[7-[1-[(2R)-2-amino-2-carboxyethyl]sulfanylethyl]-13,17-bis(2-carboxyethyl)-3,8,12,18-tetramethylporphyrin-22,24-diid-2-yl]ethylsulfanyl]propanoic acid;iron(2+)	0.1431	1.7416	0.0638	2.0515
(2R)-2-amino-4-{4-[(1E)-{[(3S)-1-[(R)-carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]carbamoyl}(hydroxyimino)methyl]phenoxy}butanoate	1.9068	0.1201	1.2575	0.7156
[(2R,2aS,4aR,7aR,7bR)-3-formyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate	0.9054	0.9343	0.8686	1.2917
{[(2R)-2-azaniumyl-3-{[(1E)-N-hydroxy-2-(1H-indol-3-yl)ethanimidoyl]sulfanyl}propanoyl]amino}acetate	0.8016	0.1251	3.0075	0.0658
(2R)-2-azaniumyl-3-({4-[(2S)-2-carboxylato-2-(trimethylazaniumyl)ethyl]-1H-imidazol-2-yl}sulfinyl)propanoate	1.1432	1.1326	0.8487	0.8756
(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid	0.7552	1.1389	0.6596	1.4464
(2R)-2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyacetic acid	0.0042	2.1307	0.0089	1.8562
(2R,2^R)-3,3^-disulfanediylbis(2-acetamidopropanoic acid)	0.0958	0.7257	0.1697	3.0087
[(2R)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-2-tetradecanoyloxypropyl] (9Z,12Z)-octadeca-9,12-dienoate	0.0574	1.4733	0.0821	2.3873
[(2R,3R)-2-[2-[6-[5,7-dihydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]-2,3,4-trihydroxyphenyl]-3,4,5-trihydroxyphenyl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate	1.9813	0.2112	1.5249	0.2826
[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate	0.1087	2.7037	0.7090	0.4786
(2R,3R,4S,5R,10S)-2,3,4,5-Tetrahydro-2-(4-methoxyphenyl)-3-phenyl-4-[[(2S)-2-(2-methylpropionylamino)pyrrolidine-1-yl]carbonyl]-6-methoxy-2,5-methano-7,8-methylenedioxy-1-benzoxepin-5,10-diol	0.1790	0.0609	2.6476	1.1124
[(2R,3R,4S,5S)-3-hydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-5-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyoxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate	0.1691	2.4490	0.0853	1.2965
(2R,3R,4S,5S,6R)-2-[[(1R,2R,4aS,5S,8R,8aR)-5,8-dihydroxy-2-(2-hydroxypropan-2-yl)-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol	1.4178	0.2493	1.9450	0.3879
(2R,3R,4S,5S,6R)-2-[[(1R,2S,3S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	0.1187	1.6737	0.1947	2.0129
(2R,3R,4S,5S,6R)-2-[2-[(1R,5R)-5-hydroxy-2,3-bis(hydroxymethyl)cyclopent-2-en-1-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	2.0566	0.0888	1.7732	0.0814
(2R,3R,4S,5S,6R)-2-[3-[2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran-5-yl]propoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol	0.2296	0.0458	3.6716	0.0531
(2R,3R,4S,5S,6R)-2-[3-(2-hydroxyethyl)-4-(hydroxymethyl)hex-5-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	0.5756	1.0100	0.8925	1.5219
[(2R,3R)-5,7-dihydroxy-2-(2,3,4,5-tetrahydroxy-6-oxobenzo[7]annulen-8-yl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate	0.0862	1.4351	0.0139	2.4649
[[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3R,4S,5S)-5-formamido-3,4-dihydroxyoxan-2-yl] phosphate	0.0964	2.3160	0.0782	1.5095
[[(2R,3S,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] 2-(dimethylazaniumyl)ethyl phosphate	1.6539	0.0851	2.2128	0.0482
[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate	1.1927	0.0416	2.7317	0.0339
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl phosphate	0.1402	1.9401	0.0560	1.8637
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3R,4S,5S)-3,4,5-trihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl] phosphate	0.0458	2.9359	0.0903	0.9280
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate	1.5741	0.3387	1.6510	0.4362
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,6R)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl] phosphate	2.1694	0.3785	0.7846	0.6675
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl] phosphate	1.9620	0.3419	1.5062	0.1899
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,5S,6S)-3,5-dihydroxy-6-methyloxan-2-yl] phosphate	2.2854	0.3751	1.0648	0.2747
[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate	1.7581	0.1267	2.0998	0.0154
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[2-(trimethylazaniumyl)ethoxy]phosphoryl] phosphate	2.0748	0.1334	1.0912	0.7007
[(2R,3S,4R,5R)-5-(5,6-dimethylbenzimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate	1.7213	0.2373	1.8425	0.1989
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy({3-hydroxy-2,2-dimethyl-3-[(2-{[2-(prop-2-enoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy})phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid	0.0327	2.9957	0.0183	0.9532
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-[[3-[2-[2-(methylamino)benzoyl]sulfanylethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate	0.7897	0.3589	2.5162	0.3353
[(2R,3S,4R,5R)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoate	1.9511	0.1500	1.7790	0.1199
[(2R,3S,4S)-5-[4-[[(1R)-1-[(7S)-2-amino-7-methyl-4-oxo-7,8-dihydro-1H-pteridin-6-yl]ethyl]amino]phenyl]-2,3,4-trihydroxypentyl] phosphate	0.9383	0.0798	2.9191	0.0627
[(2R,3S,4S,5R)-6-[2-[3,4-dihydroxy-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-oxo-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate	0.3701	1.6177	0.2002	1.8120
[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate	0.5268	1.2700	0.7993	1.4039
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[[(3S,4S)-4-(hydroxymethyl)-5-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]oxolan-3-yl]methyl]-2-methoxyphenoxy]oxane-3,4,5-triol	2.3355	0.2372	1.2475	0.1799
[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[3,7,8-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-5-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate	0.1352	0.3047	0.1538	3.4063
[(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate	0.0277	1.5317	0.0381	2.4025
[(2R,3S,4S,5R,6S)-6-[4-[6-[4-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-methoxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate	0.4432	2.3741	0.2869	0.8959
[(2R,3S)-5,7-diacetyloxy-2-(3,4,5-triacetyloxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate	1.5691	0.0518	2.2994	0.0797
(2R,3S,5R,6S)-4-{[amino(iminio)methyl]amino}-2,3,5,6-tetrahydroxycyclohexyl phosphate	0.0317	2.1170	0.0280	1.8233
[(2R,3S,6R)-5-amino-3-hydroxy-6-methyl-3,6-dihydro-2H-pyran-2-yl] [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate	0.0337	1.6067	0.0309	2.3286
[(2R,3S,6R)-6-[[(1S,2R,5S,7R,9R,10S,14R,15S,19S)-19-ethyl-14-methyl-13,21-dioxo-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-dien-15-yl]oxy]-2-methyloxan-3-yl]-dimethylazanium	1.0981	1.3158	0.1301	1.4561
(2R,3S)-beta-p-Chlorophenylglutamic acid	0.0394	2.0758	0.0119	1.8729
(2R,3S)-Piscidic acid	0.1772	1.9314	0.5486	1.3428
(2R,3S)-trans-epsilon-viniferin	0.3055	2.2273	0.3570	1.1103
(2R,4E)-4-[2-[(2S)-2-carboxy-5-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid	1.0340	0.8150	0.7798	1.3711
[(2R,4R,5R,6S)-4-azaniumyl-5-hydroxy-6-methyloxan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate	0.0217	2.3829	0.0134	1.5820
(2R,5R,7R,8E,10E,12R,14S,16R,19R,20S,27S,28S,29R,32R,33R,35R)-14-[(2S,3R,4R)-2,3-Dihydroxy-4-methyloxan-2-yl]-28-hydroxy-5,7,9,19,29-pentamethyl-18,31-dioxo-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.11,35.12,5.120,24.124,27.129,32.012,16]tritetraconta-8,10-diene-35-carboxylic acid	2.5525	0.7301	0.5540	0.1634
(2R,5S,7R,10S,11R,15R,17S)-7,15-dihydroxy-2,10,11,20,21-pentamethoxy-5,17-diphenyl-4,12,18-trioxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(21),3(8),13,19-tetraen-9-one	2.1737	0.1445	1.2631	0.4186
(2S)-2-(2-hydroxypropan-2-yl)-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrofuro[3,2-g]chromen-7-one	0.0620	1.3306	0.0319	2.5754
(2S)-2-[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxypropanoate	0.2096	2.3389	0.0506	1.4008
(2S)-2-[[(2S)-2-[[(2R,3S,4R,5S)-5-[(2R,3S,4S)-5-[4-[(6S,6aR)-3-amino-6,7-dimethyl-1-oxo-5,6,6a,7-tetrahydro-4H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-carboxylatobutanoyl]amino]pentanedioate	2.0861	0.0926	1.6726	0.1487
(2S)-2-[[4-[(6aR)-3-amino-1-oxo-5,6,6a,7-tetrahydro-4H-imidazo[1,5-f]pteridin-10-ium-8-yl]benzoyl]amino]pentanedioate	0.1810	2.3640	0.0073	1.4477
(2S)-2-[[(4R)-4-[[(2S)-2-[2-[(2R,3S,4R,5R)-5-acetamido-2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,6-dihydroxy-tetrahydropyran-4-yl]oxypropanoylamino]propanoyl]amino]-4-carboxy-butanoyl]amino]-6-amino-heptanedioic acid	1.4108	0.0667	2.4321	0.0903
(2S)-2-[[5-[2-[(6S)-2-amino-4-oxo-1,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl]ethyl]thiophene-2-carbonyl]amino]pentanedioic acid	0.0262	2.1449	0.0215	1.8074
(2S)-2-amino-3-[[(2R)-3-docosanoyloxy-2-[(Z)-tetracos-15-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid	0.2030	1.8406	0.1240	1.8324
(2S)-2-amino-3-[[(2R)-3-[(Z)-docos-13-enoyl]oxy-2-[(Z)-tetracos-15-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid	3.2081	0.1393	0.1426	0.5100
(2S)-2-Isopropylmalate	0.9751	0.0143	2.9908	0.0198
(2S,2^R,3S,3^R,4S)-3,4^,5,7-Tetrahydroxyflavan(2->7,4->8)-3,3^,5,5^,7-pentahydroxyflavan	0.9166	1.3191	0.2389	1.5255
(2S,2^^S,3S,3^^R,4S)-3,4^,5,7-Tetrahydroxyflavan(2->7,4->8)-3,4^,5,7-tetrahydroxyflavan	2.4609	0.1739	1.2911	0.0742
(2S)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-[[(Z)-4-oxo-4-phenylbut-2-en-2-yl]amino]propanoic acid	0.0250	3.7437	0.0396	0.1918
[(2S,3R)-4-[[[(3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-1,3-dihydroxy-2-methylbutan-2-yl] phosphate	0.0117	1.9007	0.0605	2.0271
(2S,3R,4R,5R,6S)-2-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxane-3,4,5-triol	0.1635	2.1272	0.1011	1.6082
(2S,3R,4R,5R,6S)-2-[(2R,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(2S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azoniahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol	2.6789	0.1182	1.0954	0.1075
[(2S,3R,4R,5R,6S)-4,5-dihydroxy-2-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate	0.0569	2.3758	0.0369	1.5304
(2S,3R,4R,5S,6R)-4-hydroxy-3-methoxy-6-{[(2S,3R,4S,5S,6R)-6-methoxy-4-oxido-5-[(sulfooxy)amino]-2-[(sulfooxy)methyl]oxan-3-yl]oxy}-5-(sulfooxy)oxane-2-carboxylate	1.1237	0.4129	0.0792	2.3842
[(2S,3R,4R,5S,6S)-2-[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] 2-methoxybenzoate	0.2283	2.5776	0.1870	1.0071
[(2S,3R,4S,5R,6R)-2-[2,3-dihydroxy-5-(3,5,7-trihydroxychromenylium-2-yl)phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate	2.6083	0.0388	1.2963	0.0566
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	0.1197	2.4382	0.0618	1.3802
[(2S,3R,4S,5R,6R)-5-hydroxy-2,4-bis[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxy-2-(2-methoxy-2-oxoethyl)benzoate	2.7815	0.1989	0.1188	0.9008
[(2S,3R,4S,5R,6R)-6-(acetyloxymethyl)-2-[2,3-dihydroxy-5-(3,5,7-trihydroxychromenylium-2-yl)phenoxy]-4,5-dihydroxyoxan-3-yl] 3,4,5-trihydroxybenzoate	0.1103	1.7059	0.1402	2.0436
[(2S,3R,4S,5R,6S)-6-[2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate	2.4629	0.5949	0.3085	0.6337
(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-carboxylato-6-[(2S,3R,4R,5R,6S)-2-carboxylato-5,6-dihydroxy-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate	0.0863	3.4828	0.0769	0.3540
(2S,3R,4S,5S,6R)-2-[2-[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	0.6049	0.9081	1.6561	0.8309
(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol	0.4146	1.6853	0.2944	1.6057
[(2S,3R,4S,5S,6R)-2-[[(3S,4R)-4-ethenyl-8-oxo-4,6-dihydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate	1.2219	1.5330	0.3953	0.8498
(2S,3R,4S,5S,6R)-2-[4-[1,3-Dihydroxy-2-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	0.6144	0.9479	1.4312	1.0065
[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate	1.6162	0.4138	1.6866	0.2833
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-phenyl-N-sulfooxyethanimidothioate	0.2572	1.8235	0.1442	1.7751
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4S,5R,9S,10R,13S)-5,9-dimethyl-14-methylidene-13-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate	1.6139	0.0414	2.3125	0.0322
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] N-sulfooxyhex-5-enimidothioate	2.0931	1.4562	0.2482	0.2026
(2S,3S,4R,5R,6S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-tetrahydropyran-2-carboxylic acid	1.5978	0.5875	1.0948	0.7199
(2S,3S,4S,5R,6R)-6-[(3R,4S,5S,6S)-6-carboxylato-2-[2-[4-[(2S,3R,4S,5S,6S)-6-carboxylato-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate	0.3148	2.8460	0.1338	0.7055
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid	0.2607	2.5989	0.1725	0.9679
(2S,3S,4S,5R,6S)-6-[[(4S,4aS,7aR,12bS)-4a-hydroxy-3-methyl-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	1.4061	1.3734	0.7670	0.4535
(2S,3S,4S,5S,6R)-6-[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylate	0.8025	0.3087	2.6888	0.2000
[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,10,12-tetrahydroxy-3-(1-hydroxyethyl)-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]azanium	0.5208	0.2825	2.8338	0.3630
(2S,3S)-versiconal hemiacetal acetate	0.6452	0.4551	2.3122	0.5875
[(2S,4R,5R,5aS,6S,8S,9R,9aR,10S,10aS)-4,5,6,8-tetraacetyloxy-2,10-dihydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-1,2,4,5,6,7,8,9,9a,10-decahydrobenzo[f]azulen-9-yl]methyl acetate	0.1903	3.0676	0.0550	0.6871
(2S,4S)-4-hydroxy-2,3,4,5-tetrahydrodipicolinic acid	0.9162	0.5828	0.6938	1.8073
(2S)-6-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one	0.0549	1.8326	0.0844	2.0280
(2^S)-Deoxymyxol 2^-alpha-L-fucoside	1.4675	0.0607	2.3892	0.0826
(2S)-dihydrotricetin	1.5349	0.3416	1.6483	0.4752
2-Thiophenecarboxaldehyde	1.1147	0.8512	1.0540	0.9801
2-Trifluoromethyl-2^-methoxychalcone	2.4871	0.1053	1.3250	0.0827
2-undecyl-1H-benzimidazole	1.7256	0.2815	1.6559	0.3370
(2xi,3xi)-2,3-Dihydroxy-12,18-ursadien-28-oic acid diacetate	0.9393	1.0161	1.0167	1.0279
(2Z)-2-[4-[8-[(5E)-5-[carboxy-(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxofuran-3-yl]-5,6-dioxonaphthalen-2-yl]-3-hydroxy-5-oxofuran-2-ylidene]-2-(4-hydroxyphenyl)acetic acid	1.1520	0.8232	1.4512	0.5736
{[(2Z)-2-(phenylmethylidene)heptyl]oxy}sulfonic acid	2.3239	0.2462	1.1548	0.2752
(2Z,4^Z)-2-(5-Methylthio-4-penten-2-ynylidene)-1,6-dioxaspiro[4.4]non-3-ene	0.0340	1.5613	0.3547	2.0500
(2Z,4Z)-2-amino-5-chloro-6-oxohexa-2,4-dienoate	2.1826	0.2972	1.2650	0.2552
(2z)-5-(4-Chlorophenyl)-3-Phenylpent-2-Enoic Acid	0.5635	2.0758	0.6368	0.7240
3-(1,1-Dimethylallyl)-8-hydroxy-7-methoxycoumarin	0.0051	1.9503	0.3216	1.7230
3-(1,3-benzodioxol-5-yl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	1.2884	0.6647	1.1173	0.9295
3-[1-[(4-Chlorophenyl)methyl]-5-fluoro-3-methyl-2-indolyl]-2,2-dimethylpropanoic acid	0.0114	2.4334	0.0161	1.5390
3-[(15S,17Z,19S,20S)-5,9,14-tris(2-carboxylatoethyl)-4,10,15-tris(carboxylatomethyl)-2-hydroxy-2,15,20-trimethyl-22-oxo-23-oxa-24,25,26,27-tetrazahexacyclo[16.5.1.13,6.18,11.113,16.01,20]heptacosa-3,5,8,10,13,16(25),17-heptaen-19-yl]propanoate	2.4710	0.2655	1.1605	0.1030
3-[(1-Carboxyvinyl)oxy]benzoic acid	0.0287	2.1958	0.0213	1.7542
3-(1H-Benzimidazol-2-YL)-1H-indazole	0.4322	1.7324	0.1006	1.7348
3-[(1R,2S,3S,4Z,7S,11S,17R,18R,19R)-8,13,17-tris(2-carboxylatoethyl)-2,7,12,18-tetrakis(carboxylatomethyl)-1,2,7,11,17-pentamethyl-3,10,15,18,19,21-hexahydrocorrin-3-yl]propanoate	0.5861	2.0794	0.4074	0.9271
3-[(1R,2S,3S,4Z,7S,14Z,17R)-8,13,17-tris(2-carboxylatoethyl)-2,7,12,18-tetrakis(carboxylatomethyl)-1,2,7,11,17-pentamethyl-3,10,21,23-tetrahydrocorrin-23-ium-3-yl]propanoate	1.0637	0.1126	2.7002	0.1235
3-[(1R,2S,3S,4Z,7S,17R)-1-acetyl-8,13,17-tris(2-carboxylatoethyl)-2,7,12,18-tetrakis(carboxylatomethyl)-2,7,11,17-tetramethyl-3,10,15,21-tetrahydrocorrin-3-yl]propanoate	0.3475	0.2721	3.2320	0.1484
(31R)-8,12-diethylbacteriochlorophyllide c	0.1176	1.8982	0.1162	1.8680
3-{2-[2-(Phenylimino)ethylidene]-1,3-thiazolidin-3-yl}propane-1-sulfonic acid	0.1670	2.3515	0.1267	1.3548
3-[2-[3-[[4-[[[5-(6-Aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-oxopropanoate	0.1405	0.5496	3.1841	0.1258
3^-(2^^,3^^,4^^,6^^-Tetrakisgalloylglucosyl)-phloroacetophenone	0.0517	1.6710	0.1025	2.1748
{3-[2-(3,4-dihydroxy-5-methoxyphenyl)ethyl]phenyl}oxidanesulfonic acid	0.0977	2.6980	0.0099	1.1943
3-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one	0.1093	2.6478	0.0771	1.1658
{3-[2-(3,5-dihydroxyphenyl)ethyl]phenyl}oxidanesulfonic acid	0.7921	1.5271	0.9620	0.7189
3^-(2^^,3^^-Digalloyl-4^^,6^^-hexahydroxydiphenoylglucosyl)-phloroacetophenone	0.0383	2.0672	0.0125	1.8820
3^-(2^^,3^^-Digalloylglucosyl)-phloroacetophenone	0.1155	3.5492	0.0229	0.3124
{3-[(2,4,6-trihydroxy-3-oxo-2,3-dihydro-1-benzofuran-2-yl)methyl]phenyl}oxidanesulfonic acid	0.1090	2.5007	0.0824	1.3079
3-[(2,4-Dichlorobenzylidene)amino]-6H-dibenzo[b,d]pyran-6-one	0.4454	1.5095	0.7825	1.2626
3-(2,4-Dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione	0.0470	1.7556	0.0120	2.1854
3-(2,4-Dihydroxyphenyl)-7-(6-hydroxy-1-benzofuran-2-yl)-13-methyl-4,14-dioxapentacyclo[11.7.1.02,11.05,10.015,20]henicosa-2,5,7,9,11,15(20),16,18-octaene-9,17,21-triol	1.4813	1.2465	0.2420	1.0302
3-(2,6-Dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carboxylic acid	0.0292	2.4030	1.5124	0.0554
3^-(2^^,6^^-Digalloylglucosyl)-phloroacetophenone	1.1876	1.5305	0.2088	1.0731
{3-[(2E)-3-phenylprop-2-enoyl]phenyl}oxidanesulfonic acid	0.1206	1.2077	0.5027	2.1690
[3-(2H-1,3-benzodioxol-5-yl)-1-(4-methoxy-1-benzofuran-5-yl)-3-oxopropoxy]sulfonic acid	0.3115	2.3601	0.1197	1.2088
3-[2-Methyl-5-(piperidine-1-sulfonyl)furan-3-yl]-1-phenylurea	0.1972	2.1948	0.1059	1.5021
3-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one	2.3895	0.0822	1.4484	0.0799
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxychromen-4-one	1.5350	0.1337	2.2846	0.0467
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one	0.0380	1.6591	0.0456	2.2574
3-[(2Z,3S,4S,5Z)-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-2-[(5Z)-2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-[methoxy(oxido)methylidene]-3-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[b]pyrrol-6-ylidene]-4-methylpyrrolidin-3-yl]propanoate	2.0602	0.4261	1.1481	0.3656
3,3^-(1,3,4-Oxadiazole-2,5-diyl)dianiline	1.5244	0.0378	2.3474	0.0904
{3-[3-(2,4-dihydroxyphenyl)-3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-2-hydroxypropyl]phenyl}oxidanesulfonic acid	0.1771	2.5195	0.0025	1.3010
[3-(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid	1.7326	0.0433	2.1310	0.0931
{3-[3-(3,7-dimethylocta-2,6-dien-1-yl)-5-hydroxy-8,8-dimethyl-4-oxo-4H,8H-pyrano[3,2-g]chromen-2-yl]-2,6-dihydroxyphenyl}oxidanesulfonic acid	1.8541	0.8436	0.5431	0.7592
3,3,4,4,5,5,6,6,6-Nonafluorohexyl methacrylate	0.4095	1.7753	0.4117	1.4035
3,3^,4,4^-Tetrachloroazobenzene	0.8030	1.6405	0.5341	1.0224
3,3^,4^,5,6,7,8-Heptamethoxyflavone	0.0750	2.1661	0.0249	1.7340
3,3^,4^,5,6,8-Hexamethoxyflavone	0.5424	1.5073	0.5773	1.3730
3,3^,4^,5,7-Pentahydroxyflavan(4->8)-3,4^,5,7-tetrahydroxyflavan	0.0418	1.9144	0.0353	2.0085
3,3^,4^5-Tetrahydroxystilbene	1.6776	0.3128	1.4833	0.5264
3-(3,4,5-Trimethoxyphenyl)propane-1,2-diol	1.1358	0.1486	2.5515	0.1641
3-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-1,8-dihydroxy-6-methylanthracene-9,10-dione	0.8395	1.1441	0.9022	1.1141
3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-2,4,5-trihydroxybenzoic acid	0.6339	0.3617	2.4462	0.5583
3-(3,4-dihydroxy-5-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propane-1,2-dione	0.4406	1.9889	0.1741	1.3963
[3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene][(6-{[6-({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-4,5-dihydroxy-2-{[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-5H-chromen-3-yl]oxy}oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl]oxidanium	0.1386	1.3127	0.0126	2.5362
[3-(3,5,6,7-tetrahydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid	1.4966	0.4409	1.6773	0.3852
[3-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid	0.2868	1.8272	0.2168	1.6691
[3-(3,5-dihydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid	0.2142	2.0411	0.1083	1.6363
3-(3,5-dimethoxyphenyl)-1-(2,3,4,6-tetrahydroxyphenyl)prop-2-en-1-one	2.5076	0.1791	0.7972	0.5161
3,3^,5-Trihydroxybibenzyl	0.9728	1.1658	0.3533	1.5081
3^-(3-Acetyl-2,4-dihydroxy-5-methyl-6-methoxybenzyl)-2^,4^,6^-trihydroxy-5^-(3-methyl-2-butenyl)butyrophenone	0.1342	1.7809	0.0324	2.0524
3,3-Bis(4-(dimethylamino)phenyl)phthalide	2.1614	0.2542	1.3854	0.1990
3,3^-Bis(4^^-hydroxyanigorufone)	1.1870	1.8895	0.3031	0.6204
3,3^-Dihydroxyflavone	0.9246	1.6062	0.5123	0.9569
3,3-Dimethylglutaric acid	0.1992	2.2133	0.1978	1.3897
3-((3-fluoro-5-(4-methoxytetrahydro-2H-pyran-4-yl)phenoxy)methyl)-1-(4-(methylsulfonyl)phenyl)-5-phenyl-1H-pyrazole	1.4263	0.1202	2.3251	0.1284
3-(3-hydroxy-5-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propane-1,2-dione	3.6147	0.0230	0.3049	0.0573
3-(3-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propane-1,2-dione	0.4747	1.9560	0.0547	1.5146
3-(3-hydroxyphenyl)-2-phenyl-4-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-6-ol	0.9223	1.0211	1.0670	0.9895
3-(3-methoxyphenyl)-1-(2,3,4,6-tetrahydroxyphenyl)prop-2-en-1-one	0.3969	0.5994	0.2649	2.7388
3-{3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}propanoic acid	0.4621	2.0855	0.0558	1.3966
3-[(3S,7S,8S,9R,10Z,12S,13S,15Z,18S,19Z)-7,12-bis(2-amino-2-oxoethyl)-8,13,18-tris(2-carboxylatoethyl)-3,17-bis(carboxylatomethyl)-7,12-dimethyl-3,4,5,8,9,13,17,18-octahydro-2H-porphyrin-24-id-2-yl]propanoate	0.4567	0.5708	2.7953	0.1773
(3-{4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenyl)oxidanesulfonic acid	0.2250	1.8299	0.0928	1.8524
3-[({4-[4-({[1-(2-Chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]phenyl}methyl)sulfanyl]propanoic acid	3.4175	0.0562	0.3364	0.1899
3^,4,4^-Trihydroxypulvinone	1.1585	1.7566	0.9272	0.1577
[3,4,5,13,21,22,23-Heptahydroxy-8,18-dioxo-12-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate	1.1809	1.3318	1.3048	0.1825
(3-{4-[5,13-bis(3,4-dihydroxyphenyl)-6,9,17,19,21-pentahydroxy-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaen-18-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}phenyl)oxidanesulfonic acid	0.0860	0.7658	0.0779	3.0703
3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-{[hydroxy(4-oxocyclohexa-2,5-dien-1-ylidene)methoxy]methyl}oxan-2-yl)oxy]oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambdachromen-1-ylium	0.0374	1.9443	0.0336	1.9847
[3-(4-{5-[(E)-2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-1-benzofuran-3-yl}-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl)phenyl]oxidanesulfonic acid	0.0686	1.2011	0.0515	2.6789
3,4,5-Trihydroxy-2-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,5-dien-1-one	0.2210	2.4112	1.0801	0.2877
3,4,5-trihydroxy-6-({11-methoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),10,14(19),15,17-hexaen-15-yl}oxy)oxane-2-carboxylic acid	0.0589	3.0301	0.0560	0.8550
3,4,5-Trihydroxy-6-[[11-methoxycarbonyl-4,4,6a,6b,11,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]oxane-2-carboxylic acid	2.5127	0.1976	1.1874	0.1023
[(3,4,5-trihydroxy-6-{1,2,6-trihydroxy-3-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-4-oxocyclohexa-2,5-dien-1-yl}oxan-2-yl)methoxy]sulfonic acid	2.6694	0.2322	0.8931	0.2053
3,4,5-trihydroxy-6-({14-hydroxy-13-methoxy-9-oxo-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2(7),3,5,11,13,15-heptaen-5-yl}oxy)oxane-2-carboxylic acid	1.8695	1.0848	0.2283	0.8175
3,4,5-trihydroxy-6-({15-hydroxy-11,17,18-trimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),4,10,14,16,18-heptaen-16-yl}oxy)oxane-2-carboxylic acid	0.0972	2.3619	0.0165	1.5243
3,4,5-trihydroxy-6-({15-hydroxy-11-methoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),4,10,14,16,18-heptaen-17-yl}oxy)oxane-2-carboxylic acid	0.0850	0.5885	0.0833	3.2432
3,4,5-trihydroxy-6-({15-hydroxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1,9,11,14,16,18-hexaen-11-yl}oxy)oxane-2-carboxylic acid	2.2905	0.2980	0.4728	0.9386
3,4,5-trihydroxy-6-[1-(6-hydroxy-2H-1,3-benzodioxol-5-yl)-3-(4-methoxy-1-benzofuran-5-yl)-1,3-dioxopropan-2-yl]oxane-2-carboxylic acid	0.8331	0.9903	1.1882	0.9884
3,4,5-trihydroxy-6-({17-hydroxy-11-methoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),10,14(19),15,17-hexaen-15-yl}oxy)oxane-2-carboxylic acid	0.0266	3.0862	0.0056	0.8817
3,4,5-trihydroxy-6-{[19-hydroxy-7,7-dimethyl-15-(2-methylprop-1-en-1-yl)-13-oxo-2,8,16-trioxapentacyclo[12.8.0.0(3),(1)(2).0,.0(1),(2)(2)]docosa-1(14),3,5,9,11,17(22),18,20-octaen-11-yl]oxy}oxane-2-carboxylic acid	2.4359	0.2524	1.0771	0.2346
3,4,5-Trihydroxy-6-[1-methoxy-1,3-dioxo-3-[[3,4,5-trihydroxy-6-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propan-2-yl]oxane-2-carboxylic acid	0.8256	1.6440	0.4028	1.1276
3,4,5-trihydroxy-6-[2,3,6-trihydroxy-5-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid	0.0137	1.9900	0.0027	1.9936
3,4,5-trihydroxy-6-{[2-(3-hydroxyphenyl)-5-methoxy-6,8-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid	0.5410	0.0246	3.4031	0.0314
[(3,4,5-trihydroxy-6-{2,4,6-trihydroxy-3-[3-(3-hydroxyphenyl)propanoyl]phenyl}oxan-2-yl)methoxy]sulfonic acid	1.0995	1.6950	0.5216	0.6838
3,4,5-trihydroxy-6-(2,4,6-trihydroxyphenoxy)oxane-2-carboxylic acid	0.0141	1.7716	0.0098	2.2046
[3,4,5-Trihydroxy-6-(2,4,6-trihydroxyphenyl)oxan-2-yl]methyl hydrogen sulate	0.1271	2.0961	0.2510	1.5258
3,4,5-trihydroxy-6-{[2-(4-methoxy-1-benzofuran-5-yl)-2-oxoacetyl]oxy}oxane-2-carboxylic acid	0.4063	0.8260	1.8099	0.9578
3,4,5-trihydroxy-6-[2-hydroxy-2-(9-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl)propoxy]oxane-2-carboxylic acid	0.8757	0.1665	2.7587	0.1991
3,4,5-trihydroxy-6-[2-hydroxy-3-(7-hydroxy-4-oxo-4H-chromen-2-yl)-6-methoxyphenoxy]oxane-2-carboxylic acid	2.3734	0.6386	0.7723	0.2156
3,4,5-trihydroxy-6-{2-hydroxy-4-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid	1.8983	0.2638	0.1929	1.6450
3,4,5-trihydroxy-6-[2-hydroxy-4-(3,5,7-trihydroxy-6-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid	0.0083	1.9513	0.0008	2.0395
3,4,5-trihydroxy-6-{2-hydroxy-5-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid	0.6113	0.9474	0.4418	1.9996
3,4,5-trihydroxy-6-(2-hydroxy-5-{3,5,7-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenoxy)oxane-2-carboxylic acid	1.6491	1.1503	0.6160	0.5846
3,4,5-trihydroxy-6-{2-hydroxy-5-[3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]phenoxy}oxane-2-carboxylic acid	1.2600	0.4755	1.7520	0.5124
3,4,5-trihydroxy-6-[2-methoxy-4-(3-oxobut-1-en-1-yl)phenoxy]oxane-2-carboxylic acid	0.0980	1.6238	0.4253	1.8529
3,4,5-trihydroxy-6-[2-methoxy-5-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid	2.2908	0.2602	1.1591	0.2899
3,4,5-trihydroxy-6-{[3-(3,4,5-trihydroxyphenyl)prop-2-enoyl]oxy}oxane-2-carboxylic acid	0.2375	0.8984	0.0672	2.7969
3,4,5-trihydroxy-6-(3-{3,5,6,7-tetrahydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenoxy)oxane-2-carboxylic acid	1.7626	0.6348	1.0205	0.5822
3,4,5-trihydroxy-6-[3-(3-oxo-3-{2,4,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}propyl)phenoxy]oxane-2-carboxylic acid	0.2882	0.9821	1.4370	1.2928
3,4,5-trihydroxy-6-{3,4,5-trihydroxy-2-[2-(4-methoxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid	2.1253	0.3026	1.3959	0.1762
3,4,5-Trihydroxy-6-[3-(4-hydroxy-3-methoxyphenyl)propanoyloxy]oxane-2-carboxylic acid	0.6332	1.4381	0.2696	1.6591
({3,4,5-trihydroxy-6-[3,5,7-trihydroxy-2-(2,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-6-yl]oxan-2-yl}methoxy)sulfonic acid	1.3858	0.2128	0.7361	1.6653
({3,4,5-trihydroxy-6-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-6-yl]oxan-2-yl}methoxy)sulfonic acid	2.2840	0.1886	1.0735	0.4539
({3,4,5-trihydroxy-6-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-6-yl]oxan-2-yl}methoxy)sulfonic acid	0.0514	1.5555	0.0271	2.3661
({3,4,5-trihydroxy-6-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-8-yl]oxan-2-yl}methoxy)sulfonic acid	0.0348	2.0661	0.0169	1.8822
3,4,5-trihydroxy-6-{[3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}oxane-2-carboxylic acid	0.1041	2.4793	0.0129	1.4037
3,4,5-trihydroxy-6-[3-[(E)-2-[2-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-2-carboxylic acid	1.4335	0.1640	1.1109	1.2916
3,4,5-trihydroxy-6-{[3-hydroxy-2-(3-methoxyphenyl)-5-sulfino-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylate	1.2655	0.0341	2.6584	0.0420
3,4,5-trihydroxy-6-{3-hydroxy-4-[5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-4-oxo-4H,8H-pyrano[2,3-f]chromen-2-yl]phenoxy}oxane-2-carboxylic acid	3.1695	0.1082	0.0956	0.6266
3,4,5-trihydroxy-6-{4-[3-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]phenoxy}oxane-2-carboxylic acid	0.6810	1.8497	0.2811	1.1882
3,4,5-trihydroxy-6-(4-{5,6,7-trihydroxy-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}phenoxy)oxane-2-carboxylic acid	2.1636	0.0478	1.7187	0.0699
3,4,5-trihydroxy-6-{4-[5,6,7-trihydroxy-4-oxo-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-2-yl]phenoxy}oxane-2-carboxylic acid	0.3726	2.5448	0.0713	1.0114
3,4,5-trihydroxy-6-[4-(5-hydroxy-7-methoxy-8-methyl-4-oxo-4H-chromen-3-yl)-2-methoxyphenoxy]oxane-2-carboxylic acid	0.9046	0.1754	1.0217	1.8983
3,4,5-trihydroxy-6-{4-[(E)-2-(3,4,5-trihydroxyphenyl)ethenyl]phenoxy}oxane-2-carboxylic acid	2.5100	0.1043	1.2166	0.1691
3,4,5-trihydroxy-6-{4-hydroxy-2-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid	2.0661	0.3847	0.4775	1.0717
3,4,5-Trihydroxy-6-[4-hydroxy-2-oxo-3-(3-oxo-1-phenylbutyl)chromen-7-yl]oxyoxane-2-carboxylic acid	0.4524	2.0658	0.1868	1.2951
3,4,5-Trihydroxy-6-[4-hydroxy-2-oxo-3-(3-oxo-1-phenylbutyl)chromen-8-yl]oxyoxane-2-carboxylic acid	1.8771	0.2505	1.4622	0.4103
3,4,5-Trihydroxy-6-[4-oxo-1-(5,6,7-trimethoxy-4-oxochromen-2-yl)cyclohexa-2,5-dien-1-yl]oxyoxane-2-carboxylic acid	1.0658	1.0620	0.6251	1.2470
3,4,5-trihydroxy-6-({5-hydroxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.0(2),.0(3),.0(1)(3),(1)]nonadeca-1(12),2(9),10,13(17)-tetraen-11-yl}oxy)oxane-2-carboxylic acid	0.9808	0.9800	0.6232	1.4160
3,4,5-trihydroxy-6-{[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid	3.3176	0.1261	0.2391	0.3172
3,4,5-trihydroxy-6-{[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid	3.1520	0.0621	0.4680	0.3179
({3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-6-yl]oxan-2-yl}methoxy)sulfonic acid	1.6195	0.8555	1.0462	0.4788
3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-6-yl]oxy}oxane-2-carboxylic acid	1.9032	0.0506	1.8601	0.1861
3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-3,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid	1.0823	1.3182	0.5891	1.0104
3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid	0.5595	1.6978	0.1339	1.6089
3,4,5-trihydroxy-6-{5-hydroxy-2-[5-hydroxy-7-methoxy-6-(3-methylbut-1-en-1-yl)-3-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-2-yl]phenoxy}oxane-2-carboxylic acid	0.6670	2.0693	0.2803	0.9835
3,4,5-trihydroxy-6-[5-hydroxy-2-(6-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-2-yl)-3-methoxy-4-(3-methylbut-2-en-1-yl)phenoxy]oxane-2-carboxylic acid	0.8395	0.1374	2.8503	0.1728
3,4,5-trihydroxy-6-{5-hydroxy-2-[(E)-2-(5-hydroxy-2,2-dimethyl-2H-chromen-7-yl)ethenyl]phenoxy}oxane-2-carboxylic acid	1.1618	1.1140	1.1164	0.6078
3,4,5-trihydroxy-6-[5-hydroxy-4-(6-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-2-yl)-3-methoxy-2-(3-methylbut-2-en-1-yl)phenoxy]oxane-2-carboxylic acid	0.9670	0.7171	0.7292	1.5867
3,4,5-Trihydroxy-6-[5-hydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2,4,5-trihydroxyphenyl)chromen-7-yl]oxyoxane-2-carboxylic acid	2.6700	0.0561	1.2433	0.0306
3,4,5-trihydroxy-6-[(5-hydroxy-6-{4-hydroxy-6-methyl-5-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl)oxy]oxane-2-carboxylic acid	2.0859	0.3872	0.8136	0.7132
[(3,4,5-trihydroxy-6-{5-hydroxy-7-methoxy-4-oxo-2-phenyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-6-yl}oxan-2-yl)methoxy]sulfonic acid	0.0816	2.8953	0.0101	1.0130
3,4,5-trihydroxy-6-{5-methoxy-2-[1-oxo-1-(2,4,6-trihydroxyphenyl)propan-2-yl]phenoxy}oxane-2-carboxylic acid	1.5972	0.8086	0.7422	0.8519
3,4,5-trihydroxy-6-({7,13,14-trihydroxy-3,10-dioxo-5-[5,6,7-trihydroxy-1-oxo-3-(1,2,3,4-tetrahydroxybutyl)-1H-isochromen-8-yl]-2,9-dioxatetracyclo[6.6.2.0,(1).0(1)(1),(1)]hexadeca-1(15),4(16),5,7,11,13-hexaen-6-yl}oxy)oxane-2-carboxylic acid	1.8992	0.1314	1.8010	0.1683
3,4,5-trihydroxy-6-({7,8,11,12,13,21,22,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.0,.0(1),(1)]tricosa-4,6,8,10,12,14-hexaen-6-yl}oxy)oxane-2-carboxylic acid	0.3411	1.2017	0.2891	2.1680
3,4,5-trihydroxy-6-{[7,8,8,13,22-pentahydroxy-19-(hydroxymethyl)-3,6,16-trioxo-21-(3,4,5-trihydroxybenzoyloxy)-2,17,20,23-tetraoxapentacyclo[16.3.1.1,(1)(1).0,.0(1),(1)]tricosa-4,10,12,14-tetraen-12-yl]oxy}oxane-2-carboxylic acid	0.9617	1.3653	1.0428	0.6302
3,4,5-trihydroxy-6-{[7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-5-yl]oxy}oxane-2-carboxylic acid	0.4752	1.7643	0.2234	1.5371
3,4,5-trihydroxy-6-{[7-hydroxy-2-(3-hydroxyphenyl)-4-oxo-3,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-5-yl]oxy}oxane-2-carboxylic acid	0.1098	2.4371	0.0468	1.4063
3,4,5-trihydroxy-6-{[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8aH-chromen-5-yl]oxy}oxane-2-carboxylic acid	1.1618	1.2741	0.7477	0.8164
3,4,5-trihydroxy-6-{[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-5-yl]oxy}oxane-2-carboxylic acid	2.9386	0.2231	0.6603	0.1780
3,4,5-trihydroxy-6-{[7-hydroxy-2-(4-methoxyphenyl)-4-oxo-3,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-5-yl]oxy}oxane-2-carboxylic acid	0.1036	0.8231	0.1117	2.9615
3,4,5-trihydroxy-6-({7-hydroxy-4-oxo-2-phenyl-3,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-5-yl}oxy)oxane-2-carboxylic acid	0.3490	2.1847	0.2226	1.2437
3,4,5-trihydroxy-6-({7-hydroxy-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2,4,5-trihydroxyphenyl)-4H-chromen-5-yl}oxy)oxane-2-carboxylic acid	0.1736	1.9464	0.1249	1.7550
3,4,5-trihydroxy-6-{[7-methoxy-2-oxo-6-(3-oxobutyl)-2H-chromen-8-yl]oxy}oxane-2-carboxylic acid	2.0930	0.8566	0.2948	0.7556
3,4,5-trihydroxy-6-{[7-methoxy-3-(3-methoxyphenyl)-8-methyl-4-oxo-4H-chromen-5-yl]oxy}oxane-2-carboxylic acid	0.0301	2.0661	0.0283	1.8755
3,4,5-trihydroxy-6-({7-methoxy-4-oxo-2-phenyl-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-5-yl}oxy)oxane-2-carboxylic acid	2.1469	0.0350	1.7380	0.0801
3,4,5-trihydroxy-6-[(8-methoxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]oxane-2-carboxylic acid	0.0243	2.4506	0.0362	1.4889
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 15-(5,6-dihydroxy-6-methylheptan-2-yl)-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylate	2.1061	0.0782	1.7254	0.0903
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 4-aminobenzoate	1.4038	0.0964	2.3009	0.1989
3^,4^,5^-Trimethoxytricetin 7-[rhamnosyl-(1->6)-glucoside]	1.2493	1.4969	0.9421	0.3116
3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulene-8-carboxylic acid	1.6134	1.2775	0.5063	0.6028
3^,4^,7-Trihydroxyisoflavone	1.5787	0.1385	2.0390	0.2437
(3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl)methyl 3,4,5-trihydroxybenzoate	0.8019	0.9435	0.4804	1.7742
3,4,8,9,10-Pentahydroxy-6-oxobenzo[c]chromene-1-carboxylate	0.3372	2.6608	0.1925	0.8095
3,4-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexane-1-carboxylic acid	2.2327	0.1602	1.3353	0.2717
3,4-Bis(benzyloxy)benzaldehyde	1.5141	0.0972	2.2772	0.1115
3-(4-chlorophenyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione	0.9892	0.9817	0.6300	1.3991
3-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose	1.5171	0.2505	1.7174	0.5149
3^^,4^^-Diacetylcosmosiin	0.1915	1.6345	0.0900	2.0840
3,4-Dicaffeoylquinic acid	2.3033	0.2030	1.2597	0.2340
3,4-Dihydro-3,6,8-trihydoroxy-1(2H)-napthalenone	0.5575	1.6391	0.4846	1.3188
(+)-3,4-Dihydro-3,8-dihydroxy-3-methylbenz(a)anthracene-1,7,12(2H)-trione	2.9165	0.0286	1.0490	0.0059
3,4-dihydroxy-5-[3-hydroxy-4-methoxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]benzoic acid	0.3495	2.1949	0.8984	0.5572
3,4-Dihydroxy-5-[(6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaen-5-yl)oxy]benzoic acid	1.9911	0.0873	1.8612	0.0605
3,4-Dihydroxybenzaldehyde	2.0189	0.3118	1.5765	0.0927
3,4^-Dihydroxyflavone	1.8477	0.9268	0.5271	0.6983
3,4-Di-O-galloylquinic acid	0.0141	2.5488	0.0232	1.4139
(3-{4-[(E)-2-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-1-benzofuran-5-yl}ethenyl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}phenyl)oxidanesulfonic acid	3.7018	0.0831	0.0400	0.1751
3,4-Hexahydroxydiphenoylarabinose	0.8073	1.1721	0.2616	1.7591
3-(4-Hydroxy-2,2-dimethyl-1-oxo-3,3a-dihydroimidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoic acid	0.0314	3.5005	0.0393	0.4287
3-[4-Hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-oxopropanoate	3.0205	0.0759	0.8536	0.0499
3-(4-hydroxy-3-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propane-1,2-dione	2.7692	0.2316	0.6797	0.3195
3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid	0.0150	2.3721	0.0053	1.6075
3-(4-Hydroxy-3-sulooxyphenyl)-2-oxopropanoic acid	2.1328	0.0635	1.5293	0.2744
3-(4-hydroxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoic acid	0.0814	1.8785	0.2017	1.8384
3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propane-1,2-dione	0.2935	1.8480	0.1348	1.7237
3-(4-methoxy-1-benzofuran-5-yl)-3-oxopropanoic acid	0.0638	2.3079	0.0072	1.6212
3-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propane-1,2-dione	0.0235	2.6621	0.0050	1.3094
3,4-Methylenedioxycinnamic acid	1.5391	0.2700	1.8264	0.3646
3,5,14-trihydroxy-13-methoxy-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2,4,6,11,13,15-heptaen-9-one	0.1430	2.0542	0.0252	1.7775
3,5,6,7-tetrahydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one	1.8243	0.3471	0.9401	0.8886
3-({5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)propanoic acid	1.6747	1.1916	1.0510	0.0827
3^,5,6-Trihydroxy-3,4^,7,8-tetramethoxyflavone 3-glucoside	1.3717	1.1378	0.9983	0.4921
3,5,6-Trihydroxy-3^,4^,7-trimethoxyflavone 3-glucuronide	0.0470	2.2680	0.0387	1.6463
3,5,7,8-Tetrahydro-2-[4-(trifluoromethyl)phenyl]-4H-thiopyrano[4,3-d]pyrimidin-4-one	1.3387	1.5631	0.2496	0.8487
3-[5,7-dihydroxy-2-(3-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one	0.2169	2.8180	0.0508	0.9144
3-[5,7-dihydroxy-2-(3-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one	2.7706	0.2278	0.7385	0.2632
3-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one	0.0949	3.2836	0.1892	0.4324
(3-{5,7-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-5H-chromen-2-yl}phenyl)oxidanesulfonic acid	2.1620	0.2839	1.4198	0.1344
[3-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid	0.0152	1.8491	0.0110	2.1247
[3-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid	1.5011	1.0442	0.6612	0.7936
(3-{5,7-dihydroxy-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}phenyl)oxidanesulfonic acid	1.3472	0.1940	2.3220	0.1368
3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1lambdachromen-1-ylium	1.7619	1.4429	0.4360	0.3593
3,5,7-trihydroxy-6-methoxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one	2.8966	0.0251	1.0517	0.0266
3,5,7-trioxododecanoyl-CoA	0.1148	2.7477	0.0571	1.0803
3,5-bis(difluoromethyl)-1H-pyrazole	0.1048	2.8322	0.0947	0.9682
3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate(13-)	0.1382	1.1452	0.0674	2.6493
3,5-Dicaffeoyl-4-succinoylquinic acid	0.0724	2.6977	0.0305	1.1994
3,5-dichloro-N-(2-methyl-3-oxobutan-2-yl)benzamide	1.1783	0.1264	2.4403	0.2551
[3,5-dihydroxy-2-(5-hydroxy-7-methoxy-4-oxo-2-phenyl-4H-chromen-8-yl)-6-(hydroxymethyl)oxan-4-yl]oxidanesulfonic acid	1.2861	0.9276	1.1029	0.6834
3,5-Dihydroxy-4-[3,4,5-trihydroxy-6-[[4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxymethyl]oxan-2-yl]oxybenzoic acid	2.1658	0.3760	0.9587	0.4995
3,5-Dihydroxy-4-(beta-D-glucopyranosyloxy)benzoic acid methyl ester	0.2065	2.6796	0.1834	0.9305
3,5-Dihydroxy-4-(sulfooxy)benzoic acid	0.0576	2.5952	0.0221	1.3251
3,5-Dihydroxybenzoic acid	2.7842	0.3791	0.6503	0.1864
3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-beta-D-glucopyranoside)	0.0262	1.7440	0.0319	2.1979
3,5-Dimethoxy-1,6-dihydroxyxanthone	1.3186	0.6767	1.5540	0.4507
3,5-Dimethoxy-N-pyridin-4-yl-benzamide	0.5809	0.0307	3.3377	0.0507
3,5-dioxodecanoyl-CoA	0.0266	2.1392	0.0127	1.8215
{3-[5-hydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-2-oxo-2H,8H-pyrano[2,3-f]chromen-4-yl]phenyl}oxidanesulfonic acid	2.1537	1.0891	0.2759	0.4813
3,6,11,12-Tetrakis(acetyloxy)-5-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-4-yl acetate	0.2869	0.8234	0.1641	2.7255
{3-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]phenyl}oxidanesulfonic acid	3.1305	0.0695	0.7393	0.0607
[3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)propoxy]sulfonic acid	1.3948	0.7820	1.4928	0.3304
3,6,7-Trimethoxy-11,12-dihydro-9a-azonia-10H-cyclopenta[b]triphenylene	1.5985	0.3780	1.7485	0.2750
3,6,8-Trimethoxy-5,7-dihydroxy-3^,4^-methylenedioxyflavone	0.2125	2.4759	0.1246	1.1870
{3-[6,9,17,19,21-pentahydroxy-13-(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaen-5-yl]phenyl}oxidanesulfonic acid	0.0681	1.6231	0.0713	2.2374
{3-[6,9,17,19,21-pentahydroxy-5-(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaen-13-yl]phenyl}oxidanesulfonic acid	0.0378	2.3539	0.0515	1.5568
3,6,9-Trioxaundecanedioic acid	1.2226	0.0644	2.6351	0.0779
3-[[(6aR,9R,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carbonyl]-(ethylcarbamoyl)amino]-N,N-dimethylpropan-1-amine oxide	0.8713	0.0642	2.9208	0.1438
3,6-Dihydroxyflavone	1.2852	0.8330	1.2438	0.6380
{3-[(6E)-3-oxo-7-phenylhepta-4,6-dien-1-yl]phenyl}oxidanesulfonic acid	0.3427	2.1753	0.1173	1.3647
3^-(6^^-Galloylglucosyl)-phloroacetophenone	0.2146	1.6325	0.0719	2.0810
[3-(6-hydroxy-4-{5-[(E)-2-[6-hydroxy-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-phenyl-1-benzofuran-3-yl}-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl)phenyl]oxidanesulfonic acid	0.4430	2.1319	0.0538	1.3713
3-({6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}oxy)-2-(4-hydroxyphenyl)-7-oxidochromenium-5-yl 4,6-bis-O-(carboxylatoacetyl)-beta-D-glucopyranoside	0.2699	2.1324	0.1013	1.4964
3-(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyloxy)-4^,5,7-trihydroxy-3^,6-dimethoxyflavone	1.2637	1.3538	0.2505	1.1320
3-(6-oxopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-7(6H)-yl)propanoic acid	0.9970	0.0228	2.9024	0.0779
3,7,11-Trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate	0.5155	2.2813	0.2361	0.9672
{3,7,15-trihydroxy-16,17-dimethoxy-9-oxotricyclo[12.3.1.1(2),]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-8-yl}oxidanesulfonic acid	0.0237	2.6518	0.0307	1.2938
3-[7-(3,4-dihydroxyphenyl)-4-hydroxy-5-oxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8H-naphthalen-1-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one	1.4486	0.1545	2.2660	0.1309
3-[7,8,12,17-Tetrakis(2-carboxyethyl)-13,18-bis(carboxymethyl)-3-methyl-22,23-dihydroporphyrin-2-yl]propanoic acid	0.1412	2.0086	0.0664	1.7838
3,7-Bis(alpha-L-rhamnopyranosyloxy)-4^,5-dihydroxy-8-prenylflavone	1.7552	0.1210	2.0313	0.0925
3,7-Dihydroxyflavone	1.4406	0.5252	1.5056	0.5286
3^,7-Dimethoxy-4^,5,8-trihydroxyflavone 8-glucoside	2.9999	0.0102	0.8870	0.1030
(3-{8-[1-(2,4-dihydroxyphenyl)-2-hydroxy-3-(3-hydroxyphenyl)propyl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}phenyl)oxidanesulfonic acid	0.7333	1.0013	1.1433	1.1222
(3-{8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl}phenyl)oxidanesulfonic acid	0.2336	1.1157	2.3402	0.3105
{3-[8-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]phenyl}oxidanesulfonic acid	0.2632	2.8035	0.1465	0.7868
[3-(8,8-Dimethyl-2-oxopyrano[2,3-]chromen-3-yl)-2-hydroxy-6-methoxyphenyl] hydrogen sulate	2.1235	0.2399	0.3306	1.3060
3,8^-Biapigenin	1.7557	0.0498	0.6399	1.5546
3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid	0.1882	2.2104	0.0545	1.5470
3-ADP-2-phosphoglyceric acid	0.4108	0.1329	3.3973	0.0589
3^-Aenylic Acid	0.8706	0.1678	2.8624	0.0992
3alpha-hydroxy-3,5-dihydromonacolin L acid	1.6808	0.0660	2.0956	0.1576
(3alphaOH,20S,24S)-3,19:20,24-Diepoxydammarane-3,25-diol	0.1825	1.1544	0.0159	2.6472
3-amino-6-methyl-1-(3-(trifluoromethyl)phenyl)pyridazin-4(1H)-one	0.0894	3.6127	0.1203	0.1775
3-[(Aminocarbonyl)amino]-5-[4-(4-morpholinylmethyl)phenyl]-2-thiophenecarboxamide	0.7000	0.9081	1.6686	0.7233
3-Aminopentanedioic acid	0.0180	1.7273	0.0085	2.2462
3-Aminopropionaldehyde	0.4732	0.7185	2.2843	0.5240
(3^^-Apiosyl-6^^-malonyl)astragalin	0.8050	0.2955	2.7763	0.1232
(3aR,6abeta,9abeta,9balpha)-Decahydro-3,6-bismethylene-8alpha,9beta-dihydroxy-9-(chloromethyl)-4beta-[[(R)-3-chloro-2-hydroxy-2-methylpropanoyl]oxy]azuleno[4,5-b]furan-2(3H)-one	1.9724	0.3772	1.2381	0.4122
3-Azaniumyl-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoate	0.6649	1.4732	0.2584	1.6035
3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide	1.5917	0.5603	1.3447	0.5033
(3b,24x)-Cycloartane-3-oxo-24,25-diol	0.5888	0.9809	0.1155	2.3148
3-Benzoyl-6-phenyl-pyran-2,4-dione	2.2524	0.0777	1.6471	0.0227
3-Benzyl-3,6-bis(cysteinyl)-6-(hydroxymethyl)-diketopiperazine	1.8117	0.0966	1.8885	0.2031
3-benzyl-3,6-bis(cysteinylglycine)-6-(hydroxymethyl)-DKP	1.2071	0.1463	2.5660	0.0806
3-Benzyl-3,6-disulfanyl-6-(hydroxymethyl)-diketopiperazine	0.0514	2.0046	0.3427	1.6013
3-beta-D-galactosyl-sn-glycerol	1.4386	0.0965	2.4104	0.0546
3beta-Fluoroandrost-5-en-17beta-ol	1.2118	0.6951	1.3282	0.7650
3b-Hydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8b-olide	0.8485	0.6130	2.0311	0.5074
3-Butenylglucosinolate	1.7992	0.0573	1.9215	0.2219
3-Carboxy-1-hydroxypropylthiamine diphosphate	0.0727	1.2956	0.0620	2.5697
3-Chloro-L-tyrosine	1.6596	0.0338	2.2555	0.0510
(3-Chloro-quinoxalin-2-yl)-(toluene-4-sulfonyl)-acetonitrile	2.9426	0.2538	0.6026	0.2010
3-cis, 5-trans-dodecadienoyl-CoA	0.2917	1.6371	1.5521	0.5192
3-Cresotinic acid	2.9765	0.0714	0.9096	0.0425
3-Decaprenyl-4,5-dihydroxybenzoic acid	0.3701	1.8345	1.2066	0.5889
3-Dehydroshikimate	0.6268	1.6191	0.2055	1.5485
3-Demethylubiquinol-6	1.3477	0.0080	2.6327	0.0115
3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid	0.1033	1.4628	0.0391	2.3948
{[(3E)-4-(5-hydroxy-1-oxo-1H-isochromen-3-yl)but-3-en-2-yl]oxy}sulfonic acid	0.0323	1.8974	0.0167	2.0535
3-[(E)-4-Chlorobenzylidene]-5-phenylfuran-2(3H)-one	0.2519	0.9280	0.2684	2.5516
(3-Ethoxyphenyl)-(2,3,4-trihydroxyphenyl)methanone	0.1323	2.2577	0.0829	1.5270
{3-Fluoro-4-[4-(pyrimidin-2-yl)piperazin-1-yl]phenyl}methanamine	0.2043	3.1966	0.1817	0.4174
(3-formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl) 3-chloro-4,6-dihydroxy-2-methylbenzoate	2.1349	0.1297	1.3948	0.3406
3^-Fucosyllactose	1.1109	0.1883	2.4303	0.2705
3-Furancarboxylic acid (3S,10R)-2,2,9beta-trimethyl-4alpha,5beta,7beta,8alpha-tetraacetoxy-5abeta-(acetoxymethyl)-10-hydroxy-3,4,5,5a,6,7,8,9-octahydro-2H-3beta,9abeta-methano-1-benzoxepin-6beta-yl ester	1.2976	0.0726	2.6039	0.0259
3-Glucosyl-2,3^,4,4^,6-pentahydroxybenzophenone	2.1514	0.5213	0.8482	0.4790
(3-hydroxy-16,17-dimethoxy-9-oxo-15-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[12.3.1.1(2),]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-8-yl)oxidanesulfonic acid	1.6433	0.3779	1.5367	0.4421
3-hydroxy-20-oxopregn-5-en-17-yl sulfate	0.5793	0.2945	2.9048	0.2214
{3-hydroxy-5-oxo-2-[3-(sulfooxy)phenyl]-5H-chromen-7-yl}oxidanium	0.8381	1.7191	0.4683	0.9745
3-Hydroxy-5-oxohexanoyl-CoA	1.0203	1.5600	0.3090	1.1108
3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide	1.1904	0.2260	1.8023	0.7814
3-hydroxy-7-sulfino-2-[3-(sulfooxy)phenyl]-3,4-dihydro-2H-1-benzopyran-5-olate	0.2195	2.2629	0.0667	1.4509
3-Hydroxy-8,9-methylenedioxypterocarpane	0.5759	1.6078	0.3457	1.4706
3-Hydroxybenzo(a)pyrene	1.3346	0.4931	1.6742	0.4980
3-hydroxybenzoic acid-3-O-sulphate	1.2783	0.4138	1.8266	0.4813
3-Hydroxybutane-1,2,3-tricarboxylic acid	1.4221	0.3350	2.0742	0.1688
3-Hydroxycinnamic acid	1.2615	0.0062	2.7270	0.0053
3-Hydroxydecanoic acid	1.9505	0.0432	1.9447	0.0617
3^-Hydroxydehydroaglaiastatin	3.0691	0.0432	0.7446	0.1432
3-Hydroxydodecanoic acid	0.4006	0.0265	3.5607	0.0122
3^-Hydroxyflavone	0.5653	1.4548	0.4079	1.5720
3-Hydroxyisobutyryl-CoA	0.0478	1.3384	0.0713	2.5424
3-Hydroxy-L-tyrosyl-AMP	1.2230	0.9039	0.8953	0.9778
3-Hydroxyoctanoic acid	0.4220	1.0931	1.5246	0.9603
3-Isobutyl-1-methylxanthine	2.2210	0.0903	1.5909	0.0978
3-Isochromanone	1.8550	0.7631	0.6120	0.7698
3^-Keto-3^-deoxy-AMP	0.4352	2.2388	0.0322	1.2938
3-Ketolactose	1.4538	0.0430	2.3571	0.1460
3-Mercaptohexyl hexanoate	0.5828	0.0995	3.1869	0.1308
3-methoxy-2-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-9-ol	0.9169	0.5621	1.5042	1.0168
3-Methyl-11,12-dihydroindolo[2,3-a]carbazole	1.2952	0.6457	1.2815	0.7776
3-Methyl-1-(4-nitrophenyl)-1H-pyrazol-5-ol	0.0351	2.0973	0.0259	1.8418
3-Methyl-1-hydroxybutyl-ThPP	0.2796	1.8134	0.0744	1.8327
3-Methyl-1-phenylpent-1-yn-3-ol	2.4185	0.1095	1.3489	0.1231
3-Methyl-2-oxovaleric acid	0.7709	1.7652	0.4698	0.9942
3-Methyladipic acid	1.2951	0.0118	2.6467	0.0464
3-Methylbenzylsuccinyl-CoA	1.5012	0.2202	1.8802	0.3983
3-Methylbutyl glucosinolate	0.0180	1.2229	0.0114	2.7476
3-Methylpentane	0.5064	2.0753	0.2333	1.1850
3-Methylphenylitaconyl-CoA	0.0964	2.0152	0.0842	1.8042
3^-N-Acetylneuraminyl-N-acetyllactosamine sodium salt	0.0473	2.2385	0.0927	1.6214
3-Nitrobenzanthrone	2.1214	0.6974	1.0056	0.1756
3-Nitrotyrosine	2.7074	0.7797	0.2263	0.2867
3-O,5-O-Digalloyl-D-galacto-hexaric acid 1,4-lactone	1.0566	0.0690	2.7113	0.1632
3-O-(6-O-alpha-D-xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose	3.0838	0.0609	0.6140	0.2413
3^^-O-Acetylafzelin	1.0340	0.0684	2.7646	0.1330
3-O-Acetylepisamarcandin	1.2977	0.1494	2.2570	0.2958
3-O-alpha-D-Glucopyranuronosyl-D-xylose	0.3944	1.3181	0.2908	1.9967
3-O-[b-D-Apiofuranosyl-(1-2)-[b-D-glucopyranosyl-(	3.1506	0.1346	0.2280	0.4868
3-O-b-D-Galactopyranosylproanthocyanidin A5^	2.4813	0.7192	0.3191	0.4804
3-O-beta-D-Glucopyranosyl-1-deoxy-L-erythritol	0.0299	2.0524	0.0204	1.8972
3-(O-beta-glucosyl)-dioxindole-3-acetyl-aspartic acid	2.7868	0.6654	0.1104	0.4374
3^^-O-Caffeoylcosmosiin	1.2052	0.0295	2.7179	0.0474
3-O-Feruloylquinic acid	2.4555	0.1308	1.2402	0.1735
3-O-Galloylepigallocatechin-(4beta->6)-epicatechin-3-O-gallate	0.0049	1.5439	0.0200	2.4312
3^-O-Methylepicatechin 7-O-glucuronide	1.6953	0.4071	1.4082	0.4895
3-O-Methylquercetin	2.1915	0.3946	1.1829	0.2310
3^-O-methyltricetin	1.8957	0.6001	1.1382	0.3660
3-oxo-3-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoate	0.1244	2.1332	0.0684	1.6740
3-oxo-3-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-[5-hydroxy-7-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxyoxan-2-yl]methoxy]propanoate	0.9181	0.1633	2.2463	0.6723
3-oxo-3-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]propanoic acid	1.0723	0.4354	0.0330	2.4594
3-Oxododecanoic acid	0.0590	0.0008	3.9398	0.0004
3-Oxododecanoyl-CoA	0.3204	2.7653	0.2522	0.6621
3-oxopimelyl-CoA	2.2999	0.2091	1.3292	0.1619
3-Palmitoyl-sn-glycerol	1.0389	0.9572	1.0963	0.9076
3-p-Coumaroylquinic acid	0.0768	1.9376	0.0440	1.9416
3-Phenylphenol	0.1720	2.2119	0.0058	1.6103
(3-Phenylpropoxy)sulfonic acid	0.5927	1.7098	0.2164	1.4811
3-(phosphoacetamido)-L-alanine	0.0337	2.3435	0.0429	1.5800
3-Pyridinebutanoic acid	0.1348	1.2790	0.2868	2.2994
3-Pyridinemethanol	0.9314	1.5236	0.5307	1.0143
(3r,11Bs)-9-methoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinoline-3-carboxylic acid	1.3978	0.0859	2.1041	0.4123
(3R)-3-acetyloxy-3-[(1R,2R,5R,6R,7R,10S,11R,14S)-11-(furan-3-yl)-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]propanoic acid	0.7155	0.9780	1.2783	1.0282
(3r,3as,6ar)-Hexahydrofuro[2,3-B]furan-3-Yl [(1s,2r)-1-Benzyl-2-Hydroxy-3-{isobutyl[(4-Methoxyphenyl)sulfonyl]amino}propyl]carbamate	0.1868	2.1585	1.6109	0.0438
[(3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate	1.4584	0.0357	2.4808	0.0250
(3R)-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1-methyl-3H-1,4-benzodiazepin-2-one	1.1582	0.4587	1.4911	0.8920
(3R)-7-[[4-[[(1S)-4-[2-[4-[[5-(azaniumylmethyl)furan-3-yl]methoxy]phenyl]ethylamino]-1-carboxylato-4-oxobutyl]amino]-1-carboxylato-4-oxobutyl]amino]-7-oxoheptane-1,3,4-tricarboxylate	1.8130	0.1351	1.9356	0.1163
(3R)-hydroxy-undecanoyl-CoA	0.2977	2.7409	0.4407	0.5207
(3S)-3,8,9-trihydroxy-6-methoxy-3-methyl-10-[(2S)-2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl]-2,4-dihydroanthracen-1-one	0.6283	1.5434	0.2512	1.5771
(3S,3aS,6R,8aS)-3,8-Dimethyl-5-(propan-2-ylidene)-2,3,4,5,6,8a-hexahydro-1H-3a,6-epoxyazulen-6-ol	0.4444	0.5976	0.0976	2.8604
[(3S,4aR,6aR,6bS,8S,8aS,12aS,14aR,14bR)-8-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] icosanoate	0.2176	1.4395	0.0420	2.3008
(3^S,4^R)-3^,4^,5^-trihydroxy-8-oxospiro[6,7-dihydronaphthalene-5,2^-oxolane]-2-carboxylic acid	1.6616	1.0468	0.3083	0.9833
[(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 3,4,5-trimethoxybenzoate	0.7164	2.4536	0.5210	0.3091
[(3S,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate	0.4539	1.3165	1.1831	1.0465
3(S)-Hydroxy-4(R),8-dimethyl-nonanoyl-CoA	0.3216	0.2567	3.1322	0.2896
3-sulfinopropionyl-CoA	0.2112	0.2423	3.4022	0.1443
3-Sulfopropanoic acid	2.3959	0.0736	1.3952	0.1353
(3S)-versiconol acetate	1.0256	0.9900	1.0327	0.9517
3V[E,M]-bacteriochlorophyllide d	1.8209	0.1008	2.0336	0.0447
(3x,5x,10x)-9,10-Didehydroisohumbertiol O-[rhamnosyl-(1->4)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)]-glucoside]	0.7744	0.1004	3.0680	0.0573
(3z)-N,N-Dimethyl-2-Oxo-3-(4,5,6,7-Tetrahydro-1h-Indol-2-Ylmethylidene)-2,3-Dihydro-1h-Indole-5-Sulfonamide	1.0702	0.6856	1.5059	0.7384
4,11-Dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione	1.0844	0.9015	1.1197	0.8944
{4-[11-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-6-{[3,4,5-trihydroxy-6-({[(2E)-3-[4-(sulfooxy)phenyl]prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2,8-dioxatricyclo[7.3.1.0,(1)(3)]trideca-1(13),4,6,9,11-pentaen-3-ylidene]cyclohexa-2,5-dien-1-ylidene}oxidanium	0.0646	1.9625	0.0061	1.9668
4-[11-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,8-dioxatricyclo[7.3.1.0,(1)(3)]trideca-1(13),4,6,9,11-pentaen-3-ylidene]cyclohexa-2,5-dien-1-ylidene hydrogen sulfuric acidium	0.2348	0.5832	1.9277	1.2543
4-(1-(4-(Aminosulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)benzoic acid	1.4504	0.0920	2.4313	0.0263
{4-[(1E)-3-{2,3-dihydroxy-5-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-4,6-dioxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-1-en-1-yl}-3-oxoprop-1-en-1-yl]phenyl}oxidanesulfonic acid	3.2664	0.0961	0.3016	0.3359
4-((1E)-3-Hydroxyprop-1-en-1-yl)-2-methoxyphenyl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-beta-D-glucopyranoside	1.2128	0.0902	1.0909	1.6060
{4-[(1E)-3-oxo-3-{2,3,4-trihydroxy-5-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-6-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-1,4-dien-1-yl}prop-1-en-1-yl]phenyl}oxidanesulfonic acid	1.3238	0.0378	2.6058	0.0327
[4-[1-Hydroxy-3-(5-methoxy-2,2-dimethylchromen-6-yl)propyl]phenyl] hydrogen sulate	0.1770	3.5743	0.0814	0.1673
4-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2-methylidene-4-oxobutanoate	0.7130	1.9332	0.6799	0.6739
4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-2-(4-hydroxy-3-methoxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol	0.7473	1.6101	0.3405	1.3021
4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-2-(4-hydroxy-3-methoxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol	0.2466	2.0551	0.2416	1.4567
4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,3-diol	0.2252	2.3742	0.1991	1.2015
{4-[2,3-dioxo-3-(2,4,6-trihydroxy-3-methoxyphenyl)propyl]-2-methoxyphenyl}oxidanesulfonic acid	0.1113	1.8016	0.0384	2.0486
{4-[2,3-dioxo-3-(2,4,6-trihydroxyphenyl)propyl]-2,6-dihydroxyphenyl}oxidanesulfonic acid	1.9708	0.7954	0.5056	0.7282
{4-[(2,4-dihydroxy-3-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzofuran-2-yl)methyl]phenyl}oxidanesulfonic acid	1.4419	0.5368	0.0995	1.9217
4-[(2-aminoacetyl)amino]-N-(2,6-dimethylphenyl)benzamide	1.8394	0.8927	0.6119	0.6560
[4-[[(2S)-2-acetamidopropanoyl]-[(1S)-1-carboxyethyl]amino]-3-amino-4-oxobutyl]-(hydroxymethyl)-oxophosphanium	0.6016	2.2531	0.0421	1.1032
(4-{3-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-2-hydroxy-3-oxopropyl}-2-(3-methylbut-2-en-1-yl)phenyl)oxidanesulfonic acid	0.0679	2.1517	0.0505	1.7299
(4-{3-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-2-hydroxy-3-oxopropyl}-2-(4-hydroxy-3-methylbut-2-en-1-yl)phenyl)oxidanesulfonic acid	0.6549	1.1364	0.3862	1.8225
{4-[3-(4,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-3-oxopropyl]phenyl}oxidanesulfonic acid	0.0476	1.9964	0.0132	1.9427
4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one	1.9039	0.0470	1.9880	0.0611
4-[3-(4-Chlorophenyl)-1H-pyrazol-5-YL]piperidine	1.8804	0.0458	2.0200	0.0537
4-(3,4-dihydroxyphenyl)-9-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,8,9,10-tetrahydro-3H-pyrano[2,3-h]chromen-2-one	0.1120	1.5130	0.0817	2.2933
[4-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid	0.1722	1.5124	0.2945	2.0210
[4-({[3,5-dihydroxy-2-(hydroxymethyl)-6-(3,4,5-trihydroxybenzoyloxy)oxan-4-yl]oxy}carbonyl)-2,6-dihydroxyphenyl]oxidanesulfonic acid	0.4386	0.0411	3.4554	0.0649
[4-(3,5-Dihydroxy-4-sulooxybenzoyl)oxy-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate	0.0275	2.4917	0.0036	1.4772
(4-{3,5-dihydroxy-8,8-dimethyl-4-oxo-4H,8H-pyrano[2,3-f]chromen-2-yl}phenyl)oxidanesulfonic acid	0.2508	3.3295	0.1141	0.3056
{4-[3-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]phenyl}oxidanesulfonic acid	1.0540	1.4492	0.5962	0.9005
{4-[3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)propanoyl]phenyl}oxidanesulfonic acid	0.0968	1.2910	0.0771	2.5351
[4-(3-{[6-({3-[3,5-dimethoxy-4-(sulfooxy)phenyl]-11-hydroxy-7-(4-oxocyclohexa-2,5-dien-1-ylidene)-2,8-dioxatricyclo[7.3.1.0,(1)(3)]trideca-1(12),3,5,9(13),10-pentaen-4-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxoprop-1-en-1-yl)phenyl]oxidanium	1.2554	2.0628	0.2218	0.4600
{4-[3-(7-hydroxy-5-methoxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]phenyl}oxidanesulfonic acid	0.1454	1.9720	0.0982	1.7843
4-[[3-O,6-O-Bis[1-oxo-3-(1-hydroxy-4-oxo-2,5-cyclohexadienyl)-2-propenyl]-beta-D-glucopyranosyl]oxy]phenol	1.6916	0.0331	2.2216	0.0536
4-(3-Oxo-1-butenyl)-2,6-dimethoxyphenyl beta-D-glucopyranoside	2.3265	1.1563	0.1813	0.3359
{4-[3-oxo-3-(2,3,4,6-tetrahydroxyphenyl)prop-1-en-1-yl]phenyl}oxidanesulfonic acid	1.0110	0.6459	1.4197	0.9235
4-(3-Pyridin-2-YL-1H-pyrazol-4-YL)quinoline	0.9667	0.4942	2.1409	0.3981
4-(3-Pyridyl)-3-butenoate	1.2229	0.0739	2.5876	0.1155
4-[(3R,6S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid	1.0815	0.9079	1.1068	0.9038
[4-[(3S)-3,4-dimethylpentanoyl]oxy-2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl] 4-hydroxybenzoate	0.7766	0.7128	2.1926	0.3181
4-[4-(2,3-Dihydro-1,4-benzodioxin-6-YL)-3-methyl-1H-pyrazol-5-YL]-6-ethylbenzene-1,3-diol	0.3919	1.2748	0.5787	1.7546
4-[[4-(4-Chlorophenyl)-2-thiazolyl]amino]phenol	0.5844	1.5639	0.4831	1.3686
4-[4-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-imidazol-5-yl]pyridine	2.7023	0.0292	1.2441	0.0243
4,4,4-Trifluoro-1-(5-methylthiophen-2-yl)butane-1,3-dione	0.6789	1.0487	1.6603	0.6121
4,4,4-Trifluorobutyric Acid	1.4545	0.5901	1.0936	0.8618
4,4^,7^-Trimethoxy-1,1^-biphenanthrene-2,2^,7-triol	0.0307	1.8053	0.0118	2.1522
(4,4a-dimethyl-7-oxo-6-propan-2-ylidene-2,3,4,5,8,8a-hexahydro-1H-naphthalen-2-yl) (E)-3-methylsulfanylprop-2-enoate	1.4033	0.0449	2.4722	0.0796
4-(4-Amino-3-nitrophenyl)phthalazin-1-ol	1.4337	0.1939	2.1514	0.2210
4-(4-(benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl)benzamide	0.1627	2.4950	0.1267	1.2156
4-[4-(Benzyloxy)phenyl]-2-chlorobenzonitrile	2.0445	0.0608	1.6398	0.2548
4,4-Bis(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2-methoxybutanoic acid	0.1042	1.6201	0.0233	2.2524
4,4^^-bis(N-feruloyl)serotonin	0.2833	2.3946	0.1068	1.2153
4,4-Bis(p-hydroxyphenyl)-3-hexanone diacetate	0.9805	0.1306	2.7989	0.0900
4-[(4-Bromobenzyl)oxy]-3-methoxybenzoic acid	0.4574	2.0574	0.1431	1.3421
4-(4-Chlorobenzyl)piperidine	1.9294	0.0575	1.6671	0.3460
4,4^-Difluorobiphenyl-2,2^-dicarboxylic acid	1.6898	0.0872	2.1286	0.0945
4^,4^^-Dihydroxyanigorootin	1.9094	0.6616	0.7372	0.6918
4,4^-Dihydroxybenzophenone	0.2310	2.5861	0.0859	1.0970
4^,4^^-Dimethylepigallocatechin gallate	1.5903	0.4640	0.1698	1.7758
4,4^-Dinitrostilbene	0.1877	2.0446	0.0442	1.7234
4-[[(4-Fluorophenyl)sulfonylamino]methyl]-~{n}-(Pyridin-3-Ylmethyl)benzamide	0.0469	2.2140	0.2114	1.5276
4-(4-Hydroxyphenyl)-2-butanone O-[2,6-digalloylglucoside]	0.7966	2.1323	0.1602	0.9108
4,4^-Sulfonyldiphenol	0.1923	1.4883	0.1117	2.2076
4,4^-Thiobis-2-butanone	1.1439	0.1561	2.6471	0.0529
4^,5,5^^-Trihydroxy-4^^^,7^^-dimethoxy-7-(beta-D-glucopyranosyloxy)-8,3^^^-biflavone	1.4890	1.3295	0.8431	0.3383
4^,5,6,7-Tetramethoxyflavone	1.6095	0.0545	2.1582	0.1777
4^,5,6-Trimethylscutellarein 7-glucoside	1.5100	0.1783	2.2704	0.0413
4,5,7,12-Tetrahydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid	0.1030	2.6878	0.0423	1.1668
[4-({[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}carbonyl)-2,6-dihydroxyphenyl]oxidanesulfonic acid	0.5956	0.9938	1.6511	0.7595
[4-(5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5H-chromen-2-yl)-2-methoxyphenyl]oxidanesulfonic acid	0.9497	1.3960	0.3043	1.3501
[4-(5,7-Dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl] hydrogen sulfate	0.0858	1.7808	0.2278	1.9056
[4-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxy-6-methoxyphenyl]oxidanesulfonic acid	1.5510	0.1465	2.2028	0.0996
(4-{5,7-dihydroxy-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenyl)oxidanesulfonic acid	0.2479	1.5085	0.1349	2.1087
{4-[5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-3-yl]-2-hydroxy-6-(3-methylbut-2-en-1-yl)phenyl}oxidanesulfonic acid	1.8350	0.8526	0.6507	0.6617
[4-[5,7-Dihydroxy-8-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-hydroxy-6-(3-methylbut-2-enyl)phenyl] hydrogen sulate	0.8299	1.5350	0.4742	1.1609
[4,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] hydrogen sulate	0.0509	1.9109	0.0175	2.0207
4-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]aniline	0.5390	2.2709	0.1540	1.0361
4,5-Chrysenedicarboxylate	0.1639	1.8911	0.0745	1.8705
[4,5-Diacetyloxy-6-[4-[(ethoxycarbonylamino)methyl]phenoxy]-2-methyloxan-3-yl] acetate	0.0697	2.6479	0.0401	1.2423
4,5-Diaminofluorescein	0.0278	2.4878	0.0610	1.4235
4,5-dichloro-2-ethyl-1H-imidazole	2.0028	0.1026	0.6738	1.2208
4,5-DIDEMETHYLSIMMONDSIN	0.4594	1.3364	0.6838	1.5204
4,5-Dihydro-drospirenone-3-sulfate	0.9588	0.0759	2.8541	0.1112
[4,5-dihydroxy-2-(5-hydroxy-7-methoxy-4-oxo-2-phenyl-4H-chromen-8-yl)-6-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid	1.4361	1.0639	1.0559	0.4441
4,5-Dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydro-9-anthracenyl hexopyranoside	0.6007	1.0983	0.0434	2.2576
4^,5-Dihydroxy-3,3^-dimethoxy-6,7-methylenedioxyflavone 4^-glucuronide	0.0077	2.1682	0.0012	1.8228
[4,5-dihydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] octanoate	0.0459	2.7600	0.0213	1.1728
[4,5-Dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 3,4,5-trihydroxybenzoate	0.0219	2.8747	0.0142	1.0892
[4,5-dihydroxy-6-(hydroxymethyl)-2-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)oxan-3-yl]oxidanesulfonic acid	0.9024	1.2488	0.5651	1.2837
4,5-Dihydroxyphthalic acid	0.4440	1.8963	0.0373	1.6224
4,5-Dimethoxyphthalic acid	0.2798	1.6862	0.1000	1.9340
4-{5-[(E)-2-[6-hydroxy-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-1-benzofuran-3-yl}-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-ol	2.2397	0.9384	0.2661	0.5558
4-{5-[(E)-2-[6-hydroxy-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-ol	2.4095	0.1024	1.3900	0.0981
4-{5-[(E)-2-[6-hydroxy-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-phenyl-1-benzofuran-3-yl}-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-ol	0.0932	2.4038	0.0659	1.4372
4-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-1-[4-(2H-tetrazol-5-yl)butyl]-piperidine	1.7007	0.1211	2.0564	0.1218
[4-(5-Hydroxy-7-methoxy-8-methyl-4-oxochromen-3-yl)-2-methoxyphenyl] hydrogen sulate	0.2103	2.1281	0.0360	1.6256
{4-[5-hydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-2-oxo-2H,8H-pyrano[2,3-f]chromen-4-yl]phenyl}oxidanesulfonic acid	1.9074	0.9702	0.3254	0.7971
4-(5-O-phospho-beta-D-ribofuranosyl)phenol	0.1295	1.6316	0.1096	2.1292
[4-(5-Sulfanylidenedithiol-3-yl)phenyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate	0.0988	2.1877	0.0270	1.6865
{[4-(6,11-dihydroxy-2,2,5-trimethyl-10-oxo-5,10-dihydro-2H-1-oxa-5-azatetraphen-12-yl)-6,11-dihydroxy-2,5-dimethyl-10-oxo-3,4,5,10-tetrahydro-2H-1-oxa-5-azatetraphen-2-yl]methoxy}sulfonic acid	0.5597	1.3284	0.5290	1.5829
[4-({6-[Allyl(methyl)amino]hexyl}oxy)-2-fluorophenyl](4-bromophenyl)methanone	0.1155	2.2084	0.0219	1.6543
4,6-Dibromo-3-benzoyl-5-hydroxybenzofuran	0.1864	1.6060	1.6282	0.5793
4^,6^-Dimethoxy-2^-hydroxy-3-nitrochalcone	0.0642	1.9518	0.0259	1.9582
4^,6^-Dimethoxy-4-fluoro-2^-hydroxychalcone	0.2320	2.3454	0.0534	1.3691
4,6-dimethyl-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyridine-3-carbonitrile	0.1701	1.2556	0.2587	2.3156
{4-[7,15,23-trihydroxy-11,19-bis(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1(2),.1(1),(1)(3).0(2)(1),(2).0,(2).0(1),(2)]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaen-3-yl]phenyl}oxidanesulfonic acid	0.0089	1.2919	0.0117	2.6875
4,7-dichloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one	1.1502	0.5959	1.1601	1.0938
{[4-(7-methoxy-2-oxo-2H-chromen-6-yl)-2-oxobut-3-en-1-yl]oxy}sulfonic acid	0.0910	1.9623	0.0023	1.9444
4,8,12,16-Tetramethylheptadecan-4-olide	0.4761	1.5674	0.2308	1.7257
(4-{8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-6-yl}-7-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl)oxidanesulfonic acid	3.0338	0.2442	0.4338	0.2882
(4-{8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-6-yl}-7-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl)oxidanesulfonic acid	0.0345	1.5484	0.0048	2.4124
[4,8^^:4^^,8^^^^-Terflavan]-3,3^^,3^^^^,4^,4^^^,4^^^^,4^^^^^,5,5^^,5^^^^,7,7^^,7^^^^-tridecol	1.6080	0.0164	2.3606	0.0150
(4,8-Dihydroxy-17-methoxy-10-oxo-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-14-yl) hydrogen sulate	0.0303	3.8737	0.0135	0.0824
{4,8-dihydroxy-17-methoxy-10-oxo-2-oxatricyclo[13.2.2.1(3),]icosa-1(17),3,5,7(20),15,18-hexaen-9-yl}oxidanesulfonic acid	1.5783	1.3859	0.4169	0.6188
4^,8-Dimethylgossypetin 3-glucoside	1.1515	0.9825	0.2237	1.6423
[4-(8-hydroxy-7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid	1.5172	1.3277	0.5065	0.6487
{4,9-dihydroxy-17-methoxy-10-oxo-2-oxatricyclo[13.2.2.1(3),]icosa-1(17),3,5,7(20),15,18-hexaen-8-yl}oxidanesulfonic acid	2.6282	0.1039	1.2139	0.0540
4-Acetamido-4^-isothiocyanostilbene-2,2^-disulphonic acid	0.8143	1.5495	0.6650	0.9713
4-Acetamidobutanoyl-CoA	1.1644	1.1064	0.6514	1.0778
4-Amino-2-hydroxy-5-[[1-hydroxy-1-(2-oxo-1-bicyclo[4.1.0]hept-3-enyl)propan-2-yl]amino]-5-oxopentanoic acid	1.8197	0.0646	1.9973	0.1185
(4-Amino-2-methylpyrimidin-5-yl)methyl trihydrogen diphosphate	0.8343	1.1682	0.7359	1.2616
4-amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol	0.3246	0.3414	3.1301	0.2038
4-amino-N-[2,6-bis(methylamino)pyrimidin-4-yl]benzenesulfonamide	0.2604	0.0382	3.6906	0.0108
4-azaniumyl-5-[[1-(carboxylatomethylamino)-3-(1H-indol-3-ylmethylcarbamothioylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoate	1.0831	1.7314	0.1009	1.0846
4-Benzoyloxybutylglucosinolate	3.4810	0.0577	0.2921	0.1691
4-Benzylsulfanylpyridine-3-sulfonamide	1.2084	0.8820	1.0226	0.8870
4-(beta-D-Glucopyranosyloxy)-1-naphthol	1.2320	1.1856	0.2703	1.3120
4-(beta-D-glucosyloxy)benzoic acid	0.3086	0.9294	1.8224	0.9396
4-(beta-D-ribofuranosyl)aminobenzene 5^-phosphate	1.4749	0.0155	2.5068	0.0028
4-Bromo-N-cyclohexyl-2,3-difluoro-6-nitroaniline	0.1863	2.7143	0.1092	0.9902
4^-Carbamoyl-[1,1^-biphenyl]-4-yl methyl(3-(pyridin-4-yl)benzyl)carbamate	1.1150	0.9886	0.9192	0.9772
4-Chloro-1-((4-(2-pyridyl)piperazinyl)sulfonyl)benzene	2.4884	0.6373	0.5346	0.3397
4-chloro-3-{5-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-furyl}benzoic acid	1.5260	0.1282	2.1338	0.2120
4-Chloro-4^-hydroxybiphenyl	0.8380	1.2824	0.7808	1.0989
4-Chloro-5,6,7,8-tetrahydroquinazoline	1.5126	0.0892	2.2739	0.1243
4-Chloro-5-sulfamoylanthranilic acid	0.0060	2.8933	0.0052	1.0955
4-Chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol	1.2668	0.0920	2.4065	0.2347
4-Chlorobenzenesulfonylurea	0.7954	0.4034	2.3923	0.4089
4-Chlorobenzoyl-CoA	1.3170	0.8086	0.9930	0.8815
4-Chloro-L-phenylalanine	0.8085	1.2171	0.7281	1.2463
4-Coumaroylshikimate	1.3617	1.4182	0.7675	0.4526
4-Coumaryl-4-coumarate	0.1439	3.4068	0.0106	0.4386
4^-Cyanobenzanilide	0.1045	1.3810	0.1033	2.4112
4^^^-Demalonylsalvianin	1.6473	0.0676	2.1653	0.1198
4^-Demethylepipodophyllotoxin	1.1027	0.1668	2.0992	0.6313
4-Deoxy-4-thio-alpha-D-digitoxosyl-calicheamicin T0	0.0429	0.7603	0.0393	3.1575
4-Desmethoxy-4-chloroomeprazole	1.1689	1.2087	1.2391	0.3833
4-Dodecylbenzenesulfonic acid	1.0167	1.2276	1.0023	0.7534
{4-[(E)-2-{2,3,5-trihydroxy-4-[(1E)-3-methylbut-1-en-1-yl]phenyl}ethenyl]phenyl}oxidanesulfonic acid	1.4059	0.7763	1.5357	0.2821
4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-1,7-dihydroxy-2,3,5-trioxabicyclo[2.2.2]oct-7-en-6-one	2.3058	0.1583	1.3959	0.1400
{4-[(E)-2-{3,5-dihydroxy-4-[(1E)-3-hydroxy-3-methylbut-1-en-1-yl]phenyl}ethenyl]phenyl}oxidanesulfonic acid	0.4145	1.6064	0.2102	1.7689
{4-[(E)-2-{3,5-dihydroxy-4-[(1E)-3-methylbut-1-en-1-yl]phenyl}ethenyl]-2,6-dihydroxyphenyl}oxidanesulfonic acid	0.1246	1.6636	0.0268	2.1850
{4-[(E)-2-{3,5-dihydroxy-4-[(1E)-3-methylbuta-1,3-dien-1-yl]phenyl}ethenyl]phenyl}oxidanesulfonic acid	0.4365	0.3993	2.6761	0.4882
{4-[(E)-2-{3,5-dihydroxy-4-[3-(propan-2-yl)oxiran-2-yl]phenyl}ethenyl]phenyl}oxidanesulfonic acid	0.0333	2.1794	0.0227	1.7646
[4-[(E)-2-[3,5-dihydroxy-4-[(E)-3-methylbut-1-enyl]phenyl]ethenyl]phenyl] hydrogen sulate	0.7993	0.0968	2.7696	0.3342
4-[(E)-3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxybut-1-enyl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one	0.8203	0.1579	2.9312	0.0906
{[(4E)-5-(4-methoxyphenyl)-3-oxopent-4-en-2-yl]oxy}sulfonic acid	0.0813	1.1341	0.0645	2.7201
4-ene-Valproic acid CoA	0.3461	1.9812	0.2305	1.4422
(4^-Fluoro[1,1^-biphenyl]-2-YL)methanamine	2.4237	0.0667	1.2601	0.2495
4-Fluorobenzoic acid	0.7725	0.8836	1.5516	0.7923
4-Guanidinobutyric acid	0.8238	1.0529	1.2901	0.8331
4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((methylthio)methyl)-	0.9189	1.6203	0.5802	0.8806
4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-	2.1264	0.2139	0.5259	1.1338
4H-1-Benzopyran-4-one, 5-hydroxy-8-(5-(5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl)-7-methoxy-2-(4-methoxyphenyl)-, (+)-	0.4438	0.2595	0.3296	2.9670
4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-phenyl-, (S)-	2.8518	0.0268	1.0849	0.0366
4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-	3.0801	0.2196	0.1708	0.5295
4H,5aH,9H-Furo[2,3-b]furo[3^,2^:2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione, 9-(1,1-dimethylethyl)-10,10a-dihydro-8,9-dihydroxy-, (3aS,5aR,8R,8aS,9R,10aS)-	1.0311	0.0605	2.8847	0.0237
4-Hydrazinyl-8-(trifluoromethyl)quinoline	1.7351	0.0711	2.0078	0.1860
{4-hydroxy-17-methoxy-10-oxo-2-oxatricyclo[13.2.2.1(3),]icosa-1(17),3,5,7(20),15,18-hexaen-8-yl}oxidanesulfonic acid	1.6028	0.1780	2.0831	0.1361
4-hydroxy-3-methoxy-6-methyl-5-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]cyclohexa-3,5-diene-1,2-dione	0.8243	1.5417	1.4361	0.1980
4-Hydroxy-3-methylbenzoic acid	2.8299	0.0160	1.1060	0.0480
4-Hydroxy-3-prenylbenzoic acid glucoside	1.9478	0.0989	1.8792	0.0741
4-Hydroxy-5-(3^,5^-dihydroxyphenyl)-valeric acid-O-glucuronide	0.9021	0.0218	3.0572	0.0189
4-Hydroxy-6-methyl-2-pyrone	1.2129	0.6278	1.2879	0.8714
4-Hydroxy-6-methylpretetramide(1-)	0.2445	1.7563	0.1682	1.8310
4-Hydroxyalprazolam	1.4180	0.0542	2.4652	0.0626
4-Hydroxybenzaldehyde	0.1793	0.1137	3.5960	0.1110
4-Hydroxybenzo[h]quinoline-3-carboxylic acid	1.1901	0.1069	0.0584	2.6446
4-Hydroxybenzoic acid	0.3448	2.6519	0.0771	0.9261
4-Hydroxycinnamic acid	1.6414	0.5226	1.3595	0.4766
4^-Hydroxyflavanone	0.1159	2.2601	0.0201	1.6038
4-Hydroxy-L-glutamic acid	0.0704	2.5468	0.0331	1.3496
4-hydroxy Nonenal Mercapturic Acid	1.3806	0.2067	2.1781	0.2346
4-hydroxy Nonenal Mercapturic Acid-d3	1.6256	0.1153	2.1617	0.0973
4-Hydroxyphenylpyruvic acid	0.0314	2.1670	0.3391	1.4625
4-Hydroxyphenytoin glucuronide	0.0106	1.9964	0.0093	1.9837
4-Hydroxytamoxifen-N-glucuronide	0.0805	0.0371	0.9839	2.8985
4-Hydroxytriazolam	1.4852	0.8919	0.5939	1.0290
4^-Hydroxywarfarin	1.6986	0.1261	2.1315	0.0438
4-Ketocyclophosphamide	2.4648	0.3614	0.1746	0.9991
4-Methoxy-1-naphthol	0.0351	3.6237	0.0096	0.3316
4-methoxy-3-[4-[[(5S)-11-methoxy-6,19-dimethyl-20-oxo-2,13-dioxa-6,19-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3,9,11,15,21-hexaen-5-yl]methyl]phenoxy]benzaldehyde	0.0562	1.6864	0.0191	2.2384
4-Methoxy-6-(beta-D-glucopyranosyloxy)benzofuran-5-propionic acid	0.4158	1.5518	0.1238	1.9087
4-Methoxybenzenepropanol 1-(2-sulfoglucoside)	1.3049	0.0346	2.5029	0.1575
(4-Methoxy-benzenesulfonylamino)-acetic acid	0.6807	1.6287	0.3432	1.3474
4^-Methoxybenzophenone-2-carboxylic acid	0.6740	1.7689	0.3752	1.1819
4-Methoxycinnamic acid	1.6152	0.1137	2.1417	0.1294
4^-Methoxy fentanyl	1.3592	0.0220	2.5874	0.0314
4-Methoxyglucobrassicin	0.0581	1.9738	0.0343	1.9337
4^-Methyl-3-chloropropiophenone	1.2843	0.1775	2.3455	0.1926
4^-Methyl-epigallocatechin-7-glucuronide	0.6538	1.0276	0.2169	2.1017
4^^-Methylepigallocatechin gallate	0.0653	1.6250	0.0447	2.2650
4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide	2.7666	0.0422	1.1548	0.0363
4-Methyloctanoic acid	1.1568	0.6596	1.5733	0.6103
4-(Methyloxy)-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3^,2^:4,5]furo[2,3-h]chromene-1,11-dione	1.7663	0.3281	1.7172	0.1883
4-Methylsulfinylbutyl glucosinolate	1.0278	0.0197	2.9058	0.0467
4-Methylthiobutylthiohydroximate	2.2716	0.0934	1.5427	0.0923
4-Methylumbelliferone sulfate	1.2169	1.5111	0.7071	0.5649
4-Methylumbelliferyl glucuronide	0.9182	1.2287	0.7604	1.0927
4-nitro-1H-pyrazole-3,5-dicarboxylic acid	0.8695	1.6790	0.5682	0.8833
4-Nitrophenyl phosphate	0.7551	0.3973	2.2550	0.5926
4-O-acetyl-UDP-N-acetylglucosamine	0.4475	1.7122	0.3544	1.4859
4-O-beta-D-glucosyl-4-coumaric acid	0.7471	0.1409	3.0141	0.0979
4^-O-beta-D-glucosyl-cis-p-coumaric acid	0.6885	0.0027	3.3024	0.0064
4-O-Caffeoyl-3-O-feruloylquinic acid	0.1333	2.6693	0.0535	1.1439
4-O-hexopyranosylhex-2-ulofuranose	0.4082	1.7324	0.3227	1.5367
4-O-Methyl-a-D-glucosyl-(1->2)-b-D-xylosyl-(1->4)-D-xylose	3.1915	0.0856	0.3875	0.3354
4-O-Methylgallic acid	0.1977	2.3986	0.0349	1.3687
4-O-Methylpinosylvic acid	0.0686	1.8599	0.2254	1.8460
4-Oxo-4-(pyridin-3-yl)butanoic acid	2.9545	0.2640	0.7214	0.0601
4-Oxododecanedioic acid	2.1606	0.1570	1.4687	0.2137
4-Oxooctadeca-9,11,13-trienoic acid	2.2005	0.0229	1.7419	0.0348
4-Phenyl-2-(piperazin-1-yl)quinazoline	0.2156	2.7722	0.1461	0.8661
{[4-Phenyl-6-(trifluoromethyl)pyrimidin-2-yl]-thio}acetic acid	2.7534	0.5088	0.4153	0.3226
4-(phosphooxy)pentanoyl-CoA	0.5967	0.5772	2.4213	0.4047
4-(Piperidin-1-YL)-8-(trifluoromethyl)quinoline	2.3746	0.0564	1.4319	0.1371
4-Quinolone-3-Carboxamide CB2 Ligand	0.0804	1.6356	0.1607	2.1234
(4R,12bS)-7,9-dimethoxy-3-methyl-1,2,3,4,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium	1.9783	0.1540	1.8081	0.0595
(4R,6R)-6-[2-[(1S,2S,8aR)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one	1.0572	1.5106	0.0370	1.3952
4-(Rhamnosyloxy)phenylacetonitrile	0.1905	3.3509	0.1589	0.2998
(4S,10aS)-3-(Ethoxymethyl)-4beta,6beta,10alpha-triacetoxy-6,9alpha-dimethyl-6aalpha,9-dihydroxy-4,5,6,6a,7,8,9,10-octahydro-2H-naphtho[8a,1-b]furan-2-one	1.0632	1.2740	0.2529	1.4098
(4S)-4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,11-dimethoxy-2,3,4,12-tetrahydro-1H-indolo[2,3-a]quinolizin-5-ium	0.3983	0.3786	0.2585	2.9647
(4S,4aS,5aR,6S,11aS,12aR)-4-(dimethylamino)-3,6,10,11a,12a-pentahydroxy-6-methyl-1,11,12-trioxo-1,4,4a,5,5a,6,11,11a,12,12a-decahydrotetracene-2-carboxamide	1.6909	0.4673	1.0748	0.7670
(4S)-5,5-dimethyl-4-[(3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybutyl]cyclohex-2-en-1-one	0.6913	0.2910	2.7747	0.2429
4S,5R-antillatoxin A	1.5974	0.2289	1.9436	0.2301
4-(Sulfooxy)benzeneacrylic acid alpha-methyl ester	0.5662	0.2621	2.9888	0.1830
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-	1.9130	0.1733	1.4427	0.4710
{5-[12-(3,4-dihydroxyphenyl)-8,13-dihydroxy-4-oxo-3,11-dioxatricyclo[8.4.0.0(2),]tetradeca-1(10),2(7),8-trien-6-yl]-2-hydroxyphenyl}oxidanesulfonic acid	2.1660	0.6005	0.8730	0.3605
5,13,14,15-tetrahydroxy-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2(7),3,5,11,13,15-heptaen-9-one	0.1167	1.9032	1.6848	0.2952
5,13-bis(3,4-dihydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol	0.2539	1.9848	0.0782	1.6831
5,13-bis(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol	0.0597	2.2941	0.1672	1.4790
5,13-bis(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol	1.7260	0.0343	2.1647	0.0750
5,14-bis(acetyloxy)-4-hydroxy-9-oxo-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2,4,6,11,13,15-heptaen-13-yl acetate	0.0217	2.0509	0.0144	1.9129
5-(1h-Pyrrolo[2,3-B]pyridin-3-Ylmethyl)-N-[4-(Trifluoromethyl)benzyl]pyridin-2-Amine	1.9210	0.0675	1.9138	0.0977
5-[(1R,3R)-1-oxodithiolan-3-yl]pentanoic acid	2.2774	0.1199	1.4213	0.1813
[5-(2,6-dioxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate	0.0282	0.7959	0.0401	3.1359
5-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione	2.4919	0.2156	1.0029	0.2896
5-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl]oxy-2,3,8,12b-tetrahydroxy-3-methyl-4a-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione	0.8224	0.0682	3.0075	0.1018
5-[[(2R,3S,4S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid	1.6046	0.8632	0.9686	0.5636
5-{[2-(Trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2-thiol	0.1441	2.9875	0.1045	0.7639
5-[2-(Trifluoromethyl)phenyl]furan-2-carbaldehyde	0.0618	1.9236	0.0375	1.9771
[5-(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxyphenyl]oxidanesulfonic acid	0.0630	1.9210	0.0535	1.9625
5-(3^,4^,5^-Trihydroxyphenyl)-gamma-valerolactone-4^-O-sulphate	0.3371	1.6454	0.2261	1.7913
5-(3,4-Diacetoxybut-1-ynyl)-2,2^-bithiophene	0.3481	2.0318	0.0437	1.5763
5-(3,4-dihydroxyphenyl)-18-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-13-(4-hydroxy-3-methoxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol	0.0521	1.9592	0.0467	1.9420
[5-[3,5-dihydroxy-2-(1,3,4-trihydroxy-5-oxopentan-2-yl)oxyoxan-4-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate	2.0807	1.1010	0.2816	0.5366
5-(3^,5^-Dihydroxyphenyl)-gamma-valerolactone-O-sulphate-O-methyl	0.0668	2.9764	0.0850	0.8718
5-(3,5-Di-sec-butylcyclopent-1-enyl)-2,3,5-trihydroxyvaleric acid	1.5730	0.1937	2.1037	0.1296
5-(3,5-Di-sec-butylcyclopent-1-enyl)-5-hydroxy-3-oxovaleric acid	1.9736	0.1569	1.7531	0.1164
5-(3-Carboxybenzoyl)-2-((6-(4-methoxyphenyl)-5-hexenyl)oxy)benzenepropanoic acid	1.2474	0.6181	1.7081	0.4264
5-{[3-(Trifluoromethyl)phenoxy]methyl}-2-furaldehyde	0.1841	1.1801	0.0687	2.5671
5-[3-(Trifluoromethyl)phenyl]pyridin-2-amine	0.3613	2.5090	0.2400	0.8897
(5-{4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid	0.1250	1.9674	0.0406	1.8671
[5-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-3,4-dihydroxyoxolan-2-yl]methyl phosphate	0.0537	2.0081	0.0570	1.8811
5-[4-(4-Hydroxyphenyl)phenyl]benzene-1,3-diol	1.0584	0.4812	1.8977	0.5626
5-[4-(5-{2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-1,2-dihydroxyethenyl}-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol	3.5690	0.0330	0.0470	0.3510
{[5-({4,5-dihydroxy-2-[4-(7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4-dihydroxyoxolan-3-yl]methoxy}sulfonic acid	0.0580	1.3505	0.0133	2.5782
5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-carboxamide	0.0569	1.6162	0.0409	2.2860
5-{[(4-Chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylic acid	1.2850	1.2654	0.7486	0.7010
5-{4-[(E)-2-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-phenyl-1-benzofuran-5-yl}ethenyl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol	0.4044	0.4491	0.0530	3.0935
5-{4-[(E)-2-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]-2-phenyl-1-benzofuran-5-yl}ethenyl]-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol	0.0332	1.8240	0.0579	2.0849
5-{4-[(E)-2-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]-2-phenyl-2,3-dihydro-1-benzofuran-5-yl}ethenyl]-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol	0.0906	1.8689	0.0724	1.9681
5-{4-[(E)-2-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]-7-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-5-yl}ethenyl]-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol	0.0793	1.2207	0.0675	2.6325
5-(4-hydroxy-3-methoxyphenyl)-13-(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol	1.4472	0.0390	2.4701	0.0436
5-(4-Hydroxyphenyl)-5-phenylimidazolidine-2,4-dione	1.7406	0.2378	1.4780	0.5436
5-(5-(2,6-Dichloro-4-(4,5-Dihydro-2-Oxazoly)phenoxy)pentyl)-3-Methyl Isoxazole	0.6028	1.3240	0.9899	1.0833
5-[5-(4-Methoxy-phenyl)-furan-2-ylmethylene]-pyrimidine-2,4,6-trione	2.6498	0.0570	1.2379	0.0553
[(5-{[5,7-dihydroxy-2-(3-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-3,4-dihydroxyoxolan-2-yl)methoxy]sulfonic acid	0.0340	1.9291	0.0191	2.0178
(5-{[5,7-dihydroxy-2-(3-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl)oxidanesulfonic acid	1.4869	0.3784	1.6337	0.5009
{5-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyphenyl}oxidanesulfonic acid	0.4306	1.4484	0.0293	2.0917
(5-{5,7-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-5H-chromen-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid	1.5280	1.1849	0.4560	0.8311
(5-{5,7-dihydroxy-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid	0.9182	1.1052	0.7842	1.1924
(5-{5,7-dihydroxy-4-oxo-3,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}-2-methoxyphenyl)oxidanesulfonic acid	0.1515	2.2964	0.1293	1.4228
5^,5^^^,8,8^^-Tetrahydroxy-3^,3^^^,4^,4^^^,7^,7^^-hexamethoxy-5,5^^-biflavan	1.5728	0.0625	2.3131	0.0516
[5-(5-Hydroxy-3,6,7-trimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl] benzoate	2.5298	0.1360	1.2983	0.0359
5-[[(5S)-5,6,7,8-Tetrahydro-5alpha,7beta,8alpha-trihydroxy-4-oxo-2-phenethyl-4H-1-benzopyran]-6beta-yloxy]-8-[[(5S)-5,6,7,8-tetrahydro-6beta,7beta,8alpha-trihydroxy-4-oxo-2-phenethyl-4H-1-benzopyran]-5alpha-yloxy]-2-phenethyl-4H-1-benzopyran-4-one	3.3572	0.0641	0.0525	0.5263
5-[6-(2,4-dihydroxyphenyl)-2-(2,6-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carbonyl]-3-[(1E)-3-methylbut-1-en-1-yl]benzene-1,2,4-triol	0.0062	2.8095	0.0174	1.1669
{5-[6-(3,4-dihydroxyphenyl)-8,13-dihydroxy-4-oxo-3,11-dioxatricyclo[8.4.0.0(2),]tetradeca-1(10),2(7),8-trien-12-yl]-2-hydroxyphenyl}oxidanesulfonic acid	1.4837	0.1355	2.1753	0.2055
5,6,7,8,3^,4^,5^-Heptamethoxyflavone	0.0153	2.5274	0.0368	1.4204
5,6,7,8-tetrahydro-1H-spiro[1-benzothieno[2,3-d]pyrimidine-2,1^-cyclohexane]-4(3H)-thione	0.2876	0.2264	3.0273	0.4586
5-(6,7-Dihydroxy-2-oxochromen-5-yl)-6,7-dihydroxychromen-2-one	0.3191	2.5165	0.1200	1.0444
(5-{6,8-bis[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid	0.0313	2.0715	0.0441	1.8531
[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [5-(7,8-dimethyl-2-oxido-4-oxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] phosphate	0.1169	3.1196	0.0621	0.7015
[5-(6-Aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-[[3-[2-(3-methylbut-2-enoylsulfanyl)ethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate	1.4840	1.3099	0.6020	0.6041
[5-(6-Aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-[[3-[2-(3-methylbutanoylsulfanyl)ethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate	1.2129	0.2641	0.9147	1.6083
[5-(6-Aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxobutanoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate	0.3637	0.3157	3.1076	0.2130
[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-phenylpropanoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate	0.0406	1.8451	0.1083	2.0060
[5-(6-Aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-propanoylsulfanylethylamino)propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate	0.3856	2.4002	0.1127	1.1015
[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-4-[[3-[2-(3-hydroxy-2-methylbutanoyl)sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate	0.0920	2.7753	0.0807	1.0520
[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-4-[[3-[2-(3-hydroxybenzoyl)sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate	3.1715	0.2108	0.3685	0.2492
5,6-Dihydrouridine	0.0765	2.7277	0.1226	1.0732
5,6-Dimethoxysterigmatocystin	0.0616	2.0221	0.5486	1.3677
5,6-Dimethyl-2-(methylamino)-4-pyrimidinyl dimethylcarbamate	0.4522	0.8838	1.5832	1.0808
5-(6-hydroxy-4-{5-[(E)-2-[6-hydroxy-3-(3-hydroxyphenyl)-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-phenyl-1-benzofuran-3-yl}-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl)benzene-1,3-diol	0.0106	2.1685	0.0049	1.8160
5-{6-hydroxy-4-[(E)-2-{3-[6-hydroxy-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-1-benzofuran-5-yl}ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol	0.3043	0.1838	0.0450	3.4669
5,7,3^-Trihydroxyisoflavone	1.4739	0.4509	1.5425	0.5328
5,7-dihydroxy-2-(1-hydroxy-3,5-dimethoxy-4-oxocyclohex-2-en-1-yl)-4H-chromen-4-one	0.4418	1.3812	0.4529	1.7241
5,7-dihydroxy-2-(2,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate	0.0311	2.5193	0.0072	1.4423
[5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-8-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate	3.0205	0.1100	0.3881	0.4814
[5,7-dihydroxy-2-(3-hydroxyphenyl)-4-[6,9,17,19,21-pentahydroxy-5,13-bis(3-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaen-18-yl]-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid	0.9921	0.3541	2.3260	0.3277
5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-8-methoxychromen-4-one	2.5017	0.3234	0.9887	0.1862
[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate	0.1499	2.3339	0.0281	1.4881
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2R,3S,4S,6S)-4-hydroxy-6-methyl-5-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]chromen-4-one	0.0468	1.6748	0.0358	2.2426
5,7-Dihydroxy-2^,6-dimethoxyisoflavone 7-rhamnoside	1.0042	0.9261	0.2142	1.8555
5,7-Dihydroxy-3^,4^,5^-trimethoxyflavone	0.0314	2.0039	0.0569	1.9078
5,7-Dihydroxy-4-methylcoumarin	0.3870	2.2751	0.0490	1.2889
5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)-2-(2,4,5-trihydroxyphenyl)-4H-chromen-4-one	0.3233	0.9275	0.4474	2.3019
5,7-dihydroxy-6-methoxy-3-(2,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one	1.1876	1.5817	0.4922	0.7385
5,7-Dihydroxy-8-[2-hydroxy-5-(7-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-hydroxyphenyl)chromen-4-one	0.0608	2.0764	0.0431	1.8197
5,7-Dihydroxy-8-[2-methoxy-5-(7-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methoxyphenyl)chromen-4-one	0.2736	2.7173	0.1336	0.8756
[5-(7-hydroxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl]oxidanesulfonic acid	0.0364	2.0733	0.0321	1.8582
5,8,11-Eicosatriynoic Acid	0.3009	1.3693	0.0888	2.2410
(5-{8-[1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-hydroxypropyl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid	2.1005	0.0679	1.7622	0.0694
(5-{8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid	0.2095	2.5343	0.0065	1.2498
[5-[8-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxyphenyl] hydrogen sulate	0.0095	1.8468	0.0079	2.1358
(5-{8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-5-hydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid	0.0791	2.9830	0.0789	0.8590
5a,11a-Dehydrochlortetracycline	2.5174	0.3592	0.7593	0.3641
5a,11a-Dehydrooxytetracycline	1.1153	1.3616	0.2906	1.2325
5-Acetoxy-7-[(6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl)oxy]-4^,6-dimethoxyflavone	0.2439	1.9341	0.0867	1.7353
5-Acetylamino-6-formylamino-3-methyluracil	0.6659	2.5698	0.0813	0.6830
5a-Dihydrotestosterone sulfate	0.3192	1.6390	0.1917	1.8501
5-Allyl-4,6-dichloropyrimidine	0.2978	0.6342	2.0623	1.0057
5alpha-Androstane	1.3218	0.1075	2.5172	0.0535
5alpha-Androstane-3alpha,17beta-diol	0.8141	0.1107	2.9994	0.0758
5alpha-Ethoxy-6beta-hydroxy-5,6-dihydrophysalin B	2.9654	0.2238	0.7422	0.0686
5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile	1.2055	0.6453	1.0705	1.0786
5-Amino-3-(Methylsulfanyl)-1-Phenyl-1h-Pyrazole-4-Carbonitrile	0.2254	2.7775	0.0825	0.9145
5-Aminopentanoic acid	1.0110	1.1273	0.8681	0.9936
[[(5aR,8R,9aR)-2-amino-4-oxo-7-sulfanyl-6-sulfido-1,5,5a,8,9a,10-hexahydropyrano[3,2-g]pteridin-8-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate	1.0667	1.0707	0.9441	0.9185
[[(5aR,8R,9aR)-2-amino-4-oxo-7-sulfanyl-6-sulfido-1,5,5a,8,9a,10-hexahydropyrano[3,2-g]pteridin-8-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate	1.8477	0.9785	0.6920	0.4818
5beta-Estrane-3alpha,17beta-diol	0.0593	1.8605	0.0213	2.0589
5-bromo-N-cyclopropylthiophene-2-carboxamide	1.1463	1.5727	1.0427	0.2383
5-Carboxy-2^-deoxyuridine	0.0016	3.7405	0.0207	0.2372
5-Carboxyvanillic acid	0.0347	2.4380	0.0376	1.4898
{5-Chloro-1^-[(5-chloro-2-fluorophenyl)methyl]-2,2^,5^-trioxospiro[indole-3,3^-pyrrolidin]-1(2H)-yl}acetic acid	0.1395	1.9378	0.1119	1.8109
5-Chloro-1-(piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one	1.6618	0.0507	2.0244	0.2630
5-Chloro-2-methylbenzothiazole	0.5812	2.3127	0.3489	0.7571
5-Chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine	0.5415	1.6183	0.4558	1.3844
5-cis-15(R)-Iloprost	1.5073	0.1348	2.1693	0.1886
5-Deoxyleucopelargonidin	1.9803	0.9210	0.5080	0.5908
5-Deoxymyricanone	0.1022	1.9158	0.0245	1.9575
5-(dithiolan-3-yl)-N-[3-[5-(dithiolan-3-yl)pentanoylamino]propyl]pentanamide	0.0701	1.7251	0.0525	2.1522
5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol	0.5675	2.6654	0.1353	0.6318
[5-[(E)-[[5-carbamoyl-3-[3,4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]imidazol-4-yl]amino]methylideneamino]-3,4-dihydroxyoxolan-2-yl]methyl phosphate	2.2340	0.4516	1.0465	0.2679
5^-Fluoro-2^-hydroxy-4-methoxychalcone	0.1203	1.4529	0.1073	2.3195
5-fluoroindole-2-carboxylic acid	0.5966	1.2864	1.0976	1.0193
5-Fluoro-N-isopropyl-2-nitroaniline	1.9992	0.6599	0.9635	0.3774
5-Fluorouridine	0.5751	2.1702	0.3290	0.9257
5H-Benzocyclohepten-5-one, 1,8-bis((2R,3R)-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy-	0.1107	2.4768	0.0443	1.3682
5-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one	0.0719	2.1699	0.0264	1.7319
[5-Hydroxy-2-[4-hydroxy-2,5-bis(hydroxymethyl)-3-(2-methylpropanoyloxy)oxolan-2-yl]oxy-4-(2-methylpropanoyloxy)-6-(2-methylpropanoyloxymethyl)oxan-3-yl] decanoate	1.5357	0.1544	2.1682	0.1417
5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	2.5900	0.2228	1.0904	0.0967
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one	1.8818	0.0280	2.0263	0.0639
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one	2.1234	0.2171	1.5047	0.1548
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-8-[(2S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one	2.4532	0.1609	0.8369	0.5490
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-4-one	0.0286	2.4663	0.0100	1.4952
5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-(-L-rhamnopyranosyl)-beta-D-glucopyranoside	1.0492	0.0367	2.8828	0.0313
5-Hydroxy-4-methoxy-5-(1-methylethenyl)-2-furanone	1.2671	1.4959	0.3195	0.9174
{5-hydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl}oxidanesulfonic acid	0.1832	2.3074	0.0666	1.4428
{5-hydroxy-6-[3-(4-hydroxyphenyl)propanoyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl}oxidanesulfonic acid	0.6297	1.5402	0.2492	1.5808
5-hydroxy-6,7-dimethoxy-2-[3-methoxy-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one	0.2146	1.2331	0.4611	2.0913
[5-hydroxy-7-methoxy-2,2-dimethyl-6-(3-phenylpropanoyl)-3,4-dihydro-2H-1-benzopyran-4-yl]oxidanesulfonic acid	2.3243	0.1914	0.5022	0.9820
5-hydroxy-7-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2,4,5-trihydroxyphenyl)-4H-chromen-4-one	2.4567	0.0599	1.2033	0.2801
5-Hydroxyferulate	0.5987	1.5504	0.2168	1.6340
5-Hydroxyindoleacetic acid	0.4914	1.7078	0.2629	1.5379
5-Hydroxyindomethacin	2.1648	0.6086	0.5387	0.6879
5-(Hydroxymethyl)-2(5H)-furanone	0.7711	1.4235	0.5343	1.2711
5-Hydroxypseudobaptigenin	2.1219	0.1793	1.0751	0.6237
5-Hydroxythalidomide	0.0566	1.8286	0.0982	2.0167
5-Iodo-2-aminoindane	0.6629	0.5552	1.1662	1.6157
5-methoxy-1H-indazole-3-carboxylic Acid	0.2556	1.5127	0.3421	1.8896
5-Methoxy-6,7-methylenedioxyflavone	2.4464	0.6540	0.8446	0.0551
5^-Methoxybilobetin	0.8865	1.4166	0.9013	0.7956
5^-Methoxyhydnocarpin	1.1582	1.4723	0.6507	0.7188
5-Methoxypodophyllotoxin	0.0367	0.4669	0.0326	3.4638
5-Methoxytryptophan	0.0018	2.3096	0.0177	1.6709
5-methyl-4-oxo-2-(2-oxopropyl)-8-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-olate	0.2798	1.0613	0.3689	2.2900
5-Methyl-5-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]imidazolidine-2,4-dione	1.0892	0.8115	1.2366	0.8628
5-Methylcoumarin-4-cellobioside	1.5209	0.0547	2.3410	0.0835
5-(Methylthio)-2,3-dioxopentyl phosphate	0.9432	1.0184	0.7482	1.2902
5-Methyluridine	0.7553	1.3278	0.3543	1.5626
5-(morpholin-4-ylsulfonyl)-1H-indole-2,3-dione	1.6812	0.2790	1.8981	0.1417
5-Nitro-2-(3-phenylpropylamino)benzoic acid	0.0668	2.5074	0.0202	1.4056
5-O-Digalloyl-3,4-di-O-galloylquinic acid	0.1656	0.7314	0.1155	2.9876
5-O-Methyleriodictyol 7-glucosyl-(1->4)-galactoside	0.9443	0.0603	2.9299	0.0655
5-O-Methylvisamminol	1.6610	1.1963	0.5240	0.6187
5-O-phosphono-alpha-D-ribofuranose	0.4337	2.0106	0.1594	1.3964
(5-Oxo-1,7-diphenylheptan-2-yl) hydrogen sulate	0.1253	2.5179	0.2145	1.1423
5-Oxoavermectin^^1a^^ aglycone	1.3366	0.3179	2.0545	0.2910
5-Phenylpenta-2,4-dienoic acid	0.0092	2.0969	0.0052	1.8888
5-phenylthieno[2,3-d]pyrimidin-4(3H)-one	0.8443	1.4334	0.4248	1.2975
5^-phosphoribosyl-N-formylglycinamide	1.5363	0.1980	2.2008	0.0649
5^^-Phosphoribosylparomamine	0.4926	1.1587	0.4077	1.9411
5-[(pyridin-3-ylmethyl)sulfanyl]-1H-1,2,4-triazol-3-amine	0.0998	1.7291	0.0096	2.1615
(5R)-5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-oxofuran-2-olate	0.8839	1.8639	0.2475	1.0047
(5R,6E)-3-[(E)-2-acetamidoethenyl]sulfinyl-6-(1-hydroxypropan-2-ylidene)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid	0.4563	1.3644	0.3556	1.8237
(5S,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid	1.0694	0.2383	1.8423	0.8499
(5S,6R,7E,9E,11Z,13E,15S,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoic acid	0.5471	0.0242	3.3983	0.0304
5-tert-Butyl-1,3,4-thiadiazol-2-amine	0.3521	2.1424	0.5870	0.9185
5-(Tetradecyloxy)-2-furoic acid	1.0101	0.3763	1.3988	1.2148
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-, (6R,7R)-	0.0963	3.2556	0.0263	0.6218
5-trans-3-oxo-dodecenoyl-CoA	1.8198	0.9655	0.4475	0.7672
5-Ureidoimidazole-4-carboxylic acid	0.5160	2.2564	0.0892	1.1384
(5Z)-1-phenyl-5-(3,4,5-trimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione	1.5639	0.2196	2.1299	0.0866
(5Z,9alpha,11alpha,13E)-9,11-Dihydroxyprosta-5,13-dien-1-oic acid monosodium salt	1.5527	0.0268	2.3382	0.0823
6-({11,15-dimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),10,14,16,18-hexaen-17-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	1.4710	0.6066	1.2554	0.6669
6-({11,15-dimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),10,14,16,18-hexaen-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	0.8871	0.7688	1.0373	1.3068
6-({11,15-dimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),10,14(19),15,17-hexaen-16-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	1.1606	0.5014	1.5930	0.7450
6-({11,15-dimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),4,10,14,16,18-heptaen-17-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	2.3597	0.0385	1.5765	0.0253
6,11-Dihydroxy-10-[[1,2-dihydro-5,9,10-trihydroxy-2alpha-(1-hydroxy-1-methylethyl)-6-oxo-6H-furo[2,3-c]xanthene-1alpha-yl]oxy]-3,3-dimethyl-3H,7H-pyrano[2,3-c]xanthene-7-one	1.6410	1.4269	0.4178	0.5143
6-{[12-(6,11-dihydroxy-2,2,5-trimethyl-10-oxo-3,4,5,10-tetrahydro-2H-1-oxa-5-azatetraphen-4-yl)-6-hydroxy-2,2,5-trimethyl-10-oxo-5,10-dihydro-2H-1-oxa-5-azatetraphen-11-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	0.2860	1.9475	0.2278	1.5387
6-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-hydroxy-1-benzofuran-5-yl)-1,3-dioxopropan-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid	0.4349	0.5045	1.1477	1.9129
6-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxy-1-benzofuran-5-yl)-1,3-dioxopropan-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid	1.2497	1.2021	0.4406	1.1076
6-[1-(2H-1,3-benzodioxol-5-yl)-3-(6-hydroxy-4-methoxy-1-benzofuran-5-yl)-1,3-dioxopropan-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid	1.4415	1.8676	0.2601	0.4307
6-({13,14-dihydroxy-9-oxo-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	1.9621	0.1948	1.6619	0.1811
6-({13,14-dimethoxy-9-oxo-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2(7),3,5,11,13,15-heptaen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	0.0536	2.0331	0.0063	1.9070
6-[1-(3,4-dihydroxyphenyl)-3-(4-methoxy-1-benzofuran-5-yl)-1,3-dioxopropan-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid	0.9510	0.0537	2.8923	0.1030
6-[1-(3,4-dimethoxyphenyl)-2-{[3-(3,4-dimethoxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	0.3824	1.7017	0.3250	1.5910
6,16,24-Trihydroxy-3,8,22,27,29-pentamethyl-11,15,19-trioxaoctacyclo[14.14.1.02,14.04,12.05,10.018,26.020,25.027,31]hentriaconta-2(14),3,5,7,9,12,18(26),20,22,24,29-undecaen-17-one	0.7395	0.7134	1.5790	0.9680
6-[[1,9-dihydroxy-2-(3-methylbut-2-enyl)-6H-[1]benzouro[3,2-c]chromen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	0.1209	2.8035	0.0508	1.0248
6-{1-carboxy-2-oxo-2-[(3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]ethyl}-3,4,5-trihydroxyoxane-2-carboxylic acid	0.0478	1.7825	0.0171	2.1527
6-({2-[(2-{[3-(3,4-dimethoxyphenyl)-7-methoxy-8-methyl-4-oxo-4H-chromen-5-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-6-methyloxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	0.5854	1.4439	0.2577	1.7130
({6-[(2-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-oxo-5H-chromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)[hydroxy(4-hydroxyphenyl)methylidene]oxidanium	0.1098	1.7482	0.2073	1.9346
6-{[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-8-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	3.7401	0.0552	0.0043	0.2004
[6-[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulate	0.0200	1.7204	0.2517	2.0080
({6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid	2.4912	0.5676	0.4165	0.5248
6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	1.7738	0.0592	2.0924	0.0746
6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-5H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	0.0738	1.6787	0.1279	2.1197
({6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid	0.1105	2.1868	0.0826	1.6201
6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	0.3414	0.2649	0.1047	3.2889
6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-6-{4-hydroxy-6-methyl-5-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	1.1089	1.4436	0.3532	1.0943
({6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid	0.0395	1.9638	0.0218	1.9749
{6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-chromen-8-yl]-4,5-dihydroxyoxan-3-yl}oxidanesulfonic acid	0.7309	1.1752	0.5866	1.5074
6-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	0.7981	1.9030	0.4504	0.8485
6-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	2.6733	0.4068	0.6840	0.2358
6-{[2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	1.7761	1.1052	0.5859	0.5327
6-{[2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	0.0385	1.9437	0.0312	1.9866
[6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate	3.2782	0.3752	0.0504	0.2962
6-((2-((4-(2,4-Dichlorophenyl)-5-(4-methyl-1H-imidazol-2-yl)pyrimidin-2-yl)amino)ethyl)amino)nicotinonitrile	1.1133	0.1804	2.0920	0.6143
6-[[2-[4-[3-[4-Acetyloxy-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	0.3239	1.7875	0.0586	1.8300
6-[2-(4-Carboxybut-2-enyl)-3-hydroxy-5-oxocyclopentyl]-4-oxohexanoic acid	0.8720	1.9311	0.1725	1.0244
6-(2,4-dihydroxy-5-{5-hydroxy-8,8-dimethyl-4-oxo-4H,8H-pyrano[3,2-g]chromen-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	1.7293	0.5663	1.0672	0.6371
6-(2,4-dihydroxyphenyl)-2-{3-[(2E)-3-(2,4-dihydroxyphenyl)prop-2-enoyl]-2,6-dihydroxyphenyl}-4-methylcyclohex-3-ene-1-carboxylic acid	0.1983	2.8451	0.0445	0.9121
6-(2,4-dihydroxyphenyl)-2-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-4-methylcyclohex-3-ene-1-carboxylic acid	0.0617	2.0378	0.0049	1.8956
6-({2-[4-ethyl-3-(sulfooxy)phenyl]-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	1.6944	1.1006	0.5128	0.6922
6-{2-[5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethyl-2H-chromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-6-[3-(2,4-dihydroxyphenyl)prop-2-enoyl]-3-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	3.0905	0.0222	0.8012	0.0861
6-{2-[5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethyl-2H-chromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-6-[3-(2,4-dihydroxyphenyl)propanoyl]-3-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	0.2317	2.4819	0.1415	1.1448
6-(2-{5,7-dihydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-2-yl}-4,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	0.0147	1.7861	0.0280	2.1712
6-[2-[5,7-Dihydroxy-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]-4,5-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	0.4237	2.7004	0.2569	0.6190
6-(2-{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl}-3-hydroxy-5-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	0.5153	0.2529	3.1071	0.1247
6-{2-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-3-hydroxy-5-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	3.7716	0.0413	0.0938	0.0933
6-[2-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-3-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	0.1880	3.0487	0.1420	0.6213
6-{2-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-6-[(2E)-3-(2,4-dihydroxyphenyl)prop-2-enoyl]-3-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	0.1342	2.5088	0.0539	1.3030
6-({2,6-dihydroxy-2-[(3-hydroxyphenyl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	0.2402	1.7218	0.0051	2.0329
6-[2-(8,8-Dimethyl-2-oxopyrano[2,3-]chromen-3-yl)-5-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	0.1294	2.2374	0.0504	1.5827
6-[2-(acetyloxy)-2-(9-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl)propoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	0.2191	0.7089	0.0459	3.0261
6-(2-carboxy-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	0.1370	2.1886	0.0305	1.6439
6-(2-Carboxyacetyl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid	1.5232	0.2203	2.1983	0.0582
6-(2-Chloroallylthio)purine	0.1977	1.8947	0.0162	1.8913
6-[2-ethyl-5-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	0.6263	2.1176	0.4603	0.7957
6-(2-(tert-Butyl)-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl)quinoxaline	2.0832	0.4438	0.9144	0.5586
6-({3-[(1E)-but-1-en-1-yl]-1-oxo-1H-isochromen-6-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	0.0378	2.9551	0.0044	1.0026
6-({3-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	0.0257	2.8829	0.0120	1.0795
6-{3-[2,3-dioxo-3-(2,4,6-trihydroxyphenyl)propyl]-5-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	1.2811	0.0541	0.9661	1.6987
6-{3-[3-(3,5-dihydroxyphenyl)-2-oxopropanoyl]-2,4,6-trihydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	0.0013	2.1279	0.0120	1.8587
6-[(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	0.0180	1.5525	0.0815	2.3479
6-{[3-(3,4-dimethoxyphenyl)-7-methoxy-8-methyl-4-oxo-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	1.5405	0.0233	2.4082	0.0280
{[6-({3-[3,5-dimethoxy-4-(sulfooxy)phenyl]-11-hydroxy-7-(4-oxocyclohexa-2,5-dien-1-ylidene)-2,8-dioxatricyclo[7.3.1.0,(1)(3)]trideca-1(12),3,5,9(13),10-pentaen-4-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl}oxidanium	0.0116	2.1366	0.0099	1.8419
6-(3-{4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	1.8587	0.2225	1.6960	0.2228
6-[3-(4-{8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-6-yl}-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	3.6742	0.0743	0.1311	0.1204
6-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one	1.1293	0.0382	2.8055	0.0270
({6-[3-(4-hydroxyphenyl)-3-oxopropyl]-5-methoxy-2-methyl-2H-chromen-2-yl}methoxy)sulfonic acid	2.9088	0.0290	1.0113	0.0509
6-(3,4-Methylenedioxyphenyl)-3,5-hexadien-2-one	0.0393	1.7562	0.0181	2.1864
6-(3-{5,7-dihydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	2.6152	0.0980	1.2064	0.0804
6-{3,5-dihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-oxopropanoyl]-4-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	1.6241	0.0741	2.2494	0.0524
6-({3,5-dihydroxy-2-[3-hydroxy-10-(3-methoxyphenyl)-2-oxo-4-oxatricyclo[4.3.1.0(3),]decan-8-yl]-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	3.4895	0.0995	0.3397	0.0712
6-({3,5-dihydroxy-2-[3-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-2-oxo-4-oxatricyclo[4.3.1.0(3),]decan-8-yl]-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	0.0704	1.9632	0.0429	1.9234
6-[3,5-Dihydroxy-2-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid	0.0284	1.7632	0.0143	2.1942
6-{[3,5-dihydroxy-2-(3-hydroxyphenyl)-8-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	0.4277	2.2073	0.1387	1.2263
6-{[3,5-dihydroxy-2-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	1.1399	1.4705	0.4069	0.9828
6-{3,5-dihydroxy-4-[2-(2-hydroxy-4-methoxyphenyl)propanoyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	1.7235	0.4118	0.2547	1.6100
6-{3,5-dihydroxy-4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	1.2700	0.4017	1.9500	0.3783
6-{[3,5-dihydroxy-4-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-14-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	2.6118	0.0017	1.3811	0.0054
6-{3,5-dihydroxy-4-methoxy-2-[3-(4-methoxyphenyl)prop-2-enoyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	0.0879	2.7336	0.0670	1.1115
6-{3-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	0.0575	2.4776	0.0398	1.4251
6-(3-{6,8-bis[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	3.6549	0.1107	0.0807	0.1538
6-{[3,7-dihydroxy-2-(1-hydroxy-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl)-6-methoxy-4-oxo-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	0.0553	2.0005	0.0391	1.9051
6-({3,7-dihydroxy-2-[3-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-2-oxo-4-oxatricyclo[4.3.1.0(3),]decan-8-yl]-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	1.9885	0.0611	1.7703	0.1801
6-{[3,7-dihydroxy-2-(3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-4-oxo-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	0.1861	1.7952	0.0228	1.9958
6-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol	1.3822	0.0606	2.5099	0.0472
6-{[3,7-dihydroxy-2-(3-hydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	0.0805	2.4293	0.2033	1.2869
6-[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol	1.1412	0.0466	2.7255	0.0867
6-[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol	0.0134	0.6913	0.0034	3.2919
6-(3-{8-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	1.7353	0.9635	0.6359	0.6653
6-(3-{8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-6-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	0.4546	1.9191	0.3561	1.2702
6-{3-[8-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	1.3451	0.5498	1.5251	0.5800
6-[(3-Aminophenyl)methyl]-4,6-dihydro-4-methyl-2-(methylsulfinyl)-5h-thieno[2^,3^:4,5]pyrrolo[2,3-d]pyridazin-5-one	0.0881	2.0665	0.2511	1.5944
6-(3-Ethenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	0.0703	0.9830	0.4816	2.4650
6-[(3-formyl-1-oxo-1H-isochromen-6-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	3.4427	0.1169	0.3638	0.0766
6-[4-(1-cyclohexyltetrazol-5-yl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butoxy]-3,4-dihydro-1H-quinolin-2-one	2.5695	0.2459	0.5689	0.6157
6-{4-[(1E)-3-{[3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy}-3-oxoprop-1-en-1-yl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	0.1437	2.2522	0.1039	1.5003
6-[4-(2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-methoxy-3-oxopropyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	2.0288	0.8635	0.9095	0.1983
6-{4-[2,3-dioxo-3-(2,4,6-trihydroxyphenyl)propyl]-2,6-dihydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	1.7941	0.0675	2.0247	0.1137
6-{4-[2,3-dioxo-3-(2,4,6-trihydroxyphenyl)propyl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	1.3499	0.2844	0.0284	2.3372
6-{4-[3-(3,4-dihydroxyphenyl)propanoyl]-3,5-dihydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	0.0607	1.7142	0.0519	2.1732
6-[4-(3-carboxyoxiran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	0.9692	0.7366	1.7403	0.5539
6-[4-({[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]oxy}carbonyl)-2,6-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	0.0818	1.4922	0.0878	2.3382
6-{4-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	2.7010	0.5042	0.6341	0.1608
6-(4-{5,7-dihydroxy-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	0.1003	2.9615	0.1419	0.7962
6-[4,5-dihydroxy-2-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	0.0380	3.1835	0.0194	0.7590
6-(4,5-dihydroxy-2-{5-hydroxy-7-methoxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	2.5483	0.1082	1.2910	0.0525
6-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxochromen-5-olate	1.4973	0.0837	2.3998	0.0192
6-(4-{7-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5-hydroxy-4-oxo-4H-chromen-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	0.5919	1.1529	0.9613	1.2940
6-[4-[7-[6-(Acetyloxymethyl)-3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	0.4892	0.0894	2.3783	1.0431
6-(4-{8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	0.0756	2.9594	0.0291	0.9359
6-(4-Bromo-2,5-dimethoxyphenyl)-5-nitropiperidin-2-one	2.1268	0.0217	1.6893	0.1622
6-[4-(Carboxymethyl)-2,6-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	0.0566	2.4835	0.0631	1.3968
6-[4-[(E)-2-[4-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-3,5-dihydroxyphenyl]ethenyl]-3-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	0.0526	2.6588	0.0309	1.2577
6-{[5,14-dihydroxy-4-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	0.3374	1.7285	0.2539	1.6802
6-[5-(2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-methoxy-3-oxopropyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	0.7922	0.4675	0.5264	2.2138
6-{5-[2,3-dioxo-3-(2,4,6-trihydroxy-3-methoxyphenyl)propyl]-2-hydroxy-3-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	0.0265	2.0032	0.0216	1.9488
6-[5-({[3,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]oxy}carbonyl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	0.1667	1.6482	0.3610	1.8240
6-{5-[3-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2,3-dihydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	0.7077	0.2905	2.5168	0.4850
6-[5-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	0.0767	2.2926	0.0012	1.6294
6-(5-{5,7-dihydroxy-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}-2,4-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	3.8489	0.0253	0.0552	0.0706
{6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-8-yl]-4,5-dihydroxyoxan-3-yl}oxidanesulfonic acid	0.7520	1.1832	0.1470	1.9178
({6-[5,7-dihydroxy-2-(3-hydroxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid	1.3163	0.8126	1.1355	0.7356
6-[5,7-Dihydroxy-2-(4-hydroxy-3-sulooxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid	1.0008	0.4987	1.3105	1.1900
({6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid	1.3860	0.7912	0.7667	1.0561
{6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acid	1.2316	0.5017	0.1495	2.1172
6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl(2E)-3-(4-hydroxyphenyl)prop-2-enoate	1.5982	0.2905	1.9635	0.1477
6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl(2E)-3-(4-hydroxyphenyl)prop-2-enoate	1.3156	0.0231	2.6215	0.0398
{6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-4,5-dihydroxyoxan-3-yl}oxidanesulfonic acid	1.9966	0.6133	0.8403	0.5499
({6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid	0.3638	2.3840	0.2744	0.9778
{6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-8-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acid	2.7403	0.0745	1.1362	0.0490
({6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-6-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid	0.0269	1.7142	0.0323	2.2265
6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-6-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	0.9344	0.0432	2.9669	0.0555
[6-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate	1.0910	0.9864	0.5805	1.3420
({6-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid	0.8044	1.4310	0.5214	1.2432
{[6-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-8-yl)-3,4,5-trihydroxyoxan-2-yl]methoxy}sulfonic acid	1.8065	0.0469	0.7319	1.4147
[(6-{5,7-dihydroxy-4-oxo-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-8-yl}-3,4,5-trihydroxyoxan-2-yl)methoxy]sulfonic acid	1.5263	0.6637	0.5458	1.2642
[(6-{5,7-dihydroxy-4-oxo-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-3-yl}-3,4,5-trihydroxyoxan-2-yl)methoxy]sulfonic acid	0.1996	0.6133	0.0040	3.1831
6-({5,7-dihydroxy-4-oxo-2-phenyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-6-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	1.3656	0.6057	1.5374	0.4912
[6-[5,7-Dihydroxy-4-oxo-8-(3,4,5-trihydroxyoxan-2-yl)-2-(2,4,5-trihydroxyphenyl)chromen-6-yl]-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulate	0.0666	3.5852	0.0151	0.3331
6-[5-carboxy-2,4-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	0.2694	1.4811	0.1159	2.1337
6-{5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	1.7695	0.6195	0.6909	0.9201
6-{[6,15-dihydroxy-19,19-dimethyl-22-(3-methylbut-2-en-1-yl)-11-(2-methylprop-1-en-1-yl)-13-oxo-2,10,20-trioxapentacyclo[12.8.0.0(3),(1)(2).0,.0(1),(2)(1)]docosa-1(14),3(12),4,6,8,15,17,21-octaen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	0.2884	2.2555	1.0381	0.4181
6-[6-[(2-Carboxyacetyl)oxymethyl]-2,4,5-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid	3.1122	0.1440	0.5069	0.2368
6-[6-(3,4-Dihydroxy-6-methyl-5-oxooxan-2-yl)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid	0.6724	1.5853	0.2229	1.5194
6-[6-[6-(2,4-dihydroxyphenyl)-2-[4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl]-4-(hydroxymethyl)cyclohex-3-ene-1-carbonyl]-3-hydroxy-2-(3-methylbut-2-enyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	0.3753	1.6494	0.9342	1.0411
6-{6-[6-(2,4-dihydroxyphenyl)-2-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-4-methylcyclohex-3-ene-1-carbonyl]-3-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	2.5087	0.2157	1.1981	0.0775
6-[(6,7-Dihydroxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)methyl]-2,3-dimethoxybenzoic acid	0.2882	0.3055	0.2629	3.1434
6-({6,8-bis[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	3.8458	0.0265	0.0736	0.0541
6,6^-Bieckol	0.6766	0.7474	0.9149	1.6610
6-{6-carboxy-2-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-3,4-dihydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	1.1090	0.8329	1.3214	0.7367
6-{[7,8,8,13,21,22-hexahydroxy-19-(hydroxymethyl)-3,6,16-trioxo-2,17,20,23-tetraoxapentacyclo[16.3.1.1,(1)(1).0,.0(1),(1)]tricosa-4,10,12,14-tetraen-12-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	1.9857	0.0259	1.9541	0.0343
6,7-Dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine	0.1361	1.6322	0.0371	2.1946
6,7-Dimethyl-8-(2,3,4,5-tetrahydroxypentyl)pteridine-2,4-dione	1.0406	0.0515	2.8621	0.0458
6-({8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	0.0599	0.4831	0.1858	3.2711
6-({8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	1.1992	0.8955	0.7554	1.1500
6-({8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-2-(3,4-dihydroxyphenyl)-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	2.7357	0.4781	0.3331	0.4531
6-({8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	0.0102	1.9518	0.0195	2.0184
6-[[8-(5,7-Dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)-7-hydroxy-2-(3-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	1.5474	0.2300	1.9053	0.3173
6-{[8-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	0.0434	1.4577	0.0438	2.4552
6-{[8-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl)-5-hydroxy-2-(3-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	0.1328	1.3128	0.0136	2.5408
6-[(8a-Carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-4-[2-carboxy-1-(carboxymethoxy)-2-hydroxyethoxy]-3,5-dihydroxyoxane-2-carboxylic acid	0.0727	1.7567	0.2265	1.9441
6,8-bis[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol	1.0945	0.0330	2.8474	0.0252
6,8-bis[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol	1.7159	0.0369	2.2092	0.0381
6,8-Di-C-glucopyranosylnaringenin	0.0520	2.0954	0.0328	1.8198
6,8-Difluoro-7-hydroxy-4-methylcoumarin	0.0417	2.0122	0.1384	1.8077
6,8-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one	0.9084	0.2197	2.5220	0.3500
6a, 3^-p-Dihydroxypaclitaxel	0.0585	1.7024	0.0261	2.2130
(+/-)-6-Acetonyldihydrosanguinarine	0.0292	2.1729	0.0213	1.7766
6^^-Acetylliquiritin	1.4515	0.9606	0.7556	0.8322
[6^-Acetyloxy-5-[2-(icosa-5,8,11,14-tetraenoylamino)ethoxycarbonylamino]-3-oxospiro[2-benzofuran-1,9^-xanthene]-3^-yl] acetate	2.1510	0.0722	1.5634	0.2133
6-Acetylphenazine-1-carboxylic acid	0.4229	2.4505	0.2630	0.8636
(6aR,12aS)-12a-hydroxy-9-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-2,3-dimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one	0.6932	0.2111	2.4987	0.5970
6-Benzylamino-2-(2-hydroxyethylamino)-7-methylpurine	1.3502	0.5556	1.1811	0.9131
6-beta-Hydroxy-mometasone furoate	0.2554	2.5441	0.2153	0.9852
6-Caffeoylsucrose	2.6887	0.2997	0.1494	0.8621
6-Carboxyfluorescein	1.6223	0.1339	1.9034	0.3404
6^^-Carboxyraffinose	0.3943	1.1776	0.7526	1.6756
6-C-Fucosylluteolin	0.0963	2.3509	0.1202	1.4326
6-Chloro-2-(2-chloroethyl)-1H-benzimidazole	0.7241	0.7759	0.8723	1.6276
6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide	0.6345	1.7302	0.4041	1.2313
6-Chloro-4,5,7-trihydroxy-9,10-dihydro-9,10-dioxoanthracene-2-carboxylic acid	1.8818	0.3484	1.5918	0.1780
6-Chloropurine ribonucleoside	1.2332	0.5412	2.0007	0.2249
({6-[(E)-2-methoxyethenyl]-2-oxo-2H-chromen-7-yl}methoxy)sulfonic acid	0.0598	1.4195	0.0178	2.5029
(6E,8E,10S,11R,12E)-13-bromo-10,11-dichloro-7,11-dimethyl-3-methylene-4-oxotrideca-6,8,12-trienoic acid	1.0394	0.5726	1.7426	0.6454
6^-Feruloylnodakenin	1.4940	0.7293	0.8765	0.9001
6-Geranylgeranyl 8^-methyl 6,8^-diapocarotene-6,8^-dioate	0.5014	0.2101	3.0907	0.1978
6-Glucopyranosyl-(-)-epicatechin	0.1536	1.7239	0.1749	1.9476
6-Glucopyranosylprocyanidin B1	0.3027	1.3965	0.0594	2.2414
6-Glucopyranosylprocyanidin B2	0.8091	0.6576	2.2814	0.2519
6-Hydroxycyanidin	0.7288	1.5023	0.9574	0.8115
6-Hydroxycyclohex-1-ene-1-carboxyl-CoA	1.3434	0.1195	2.5240	0.0131
6-Hydroxyflavone	0.1419	2.2106	0.1321	1.5154
6-Hydroxyluteolin 7-O-(6^^^-O-(E)-caffeoyl)-beta-glucopyranoside	0.0773	1.9765	0.0340	1.9122
6^^^-Hydroxyparomomycin	0.1545	2.2087	0.1842	1.4526
6^^-Malonylcosmosiin	2.0700	0.3359	0.5108	1.0834
6-Methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one	0.6342	1.2415	0.2161	1.9083
6^-Methoxycinchonan-9-ol	0.5811	0.2546	2.5706	0.5936
6-Methoxyflavanone	1.2997	0.0609	2.5770	0.0624
6-Methyl-griseofulvin	0.1489	2.1729	0.1778	1.5004
6-(Methylsulfonyl)hexyl glucosinolate	1.5638	0.6405	1.1793	0.6164
6-N,4-diphenyl-1,4-dihydro-1,3,5-triazine-2,6-diamine	1.6167	0.1668	2.0955	0.1210
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol	0.2244	3.0515	0.1273	0.5968
6-Nitrochrysene	1.5086	0.2878	1.7298	0.4738
6^^-O-Acetyldaidzin	3.2159	0.1277	0.2806	0.3758
6^^-O-Acetylvicenin 1	0.7294	0.8325	1.9501	0.4879
6^^-O-Carbamoylkanamycin A	1.0883	0.0878	2.6747	0.1492
6^-O-Galloylsucrose	1.0370	0.2871	2.3993	0.2767
6^^-O-Malonylglycitin	0.0159	2.0089	0.0092	1.9660
6^^-O-Malonylwistin	1.5184	0.4858	1.8780	0.1178
6^-O-P-Coumaroylgenipin gentiobioside	0.0314	1.9516	0.0432	1.9739
6^-Oxogentamicin X2	1.5173	0.1449	2.2545	0.0833
6-Phosphogluconic acid	0.9464	0.6006	1.5708	0.8822
6-Propoxybenzothiazol-2-amine	1.6982	0.3070	1.7361	0.2587
(6R)-6-[(3S,10S,13R,14R,15R,17R)-12-acetyloxy-3,15-dihydroxy-4,4,10,13,14-pentamethyl-7,11-dioxo-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid	2.5952	0.5693	0.5484	0.2872
(6R,7R)-7-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3-chloranyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid	3.2683	0.1300	0.5231	0.0787
6-Sialyllactosamine	0.5262	1.6963	0.2033	1.5743
7,13,14-trihydroxy-6-methoxy-4,12-dimethyl-5-(3-methylbut-2-enoyl)-10-oxo-2,9-dioxatricyclo[9.4.0.0(3),]pentadeca-1(15),3(8),4,6,11,13-hexaene-15-carbaldehyde	0.0291	2.1015	0.0165	1.8529
7,13-Bis(4-nitrobenzyl)-1,4,10-trioxa-7,13-diazacyclopentadecane	0.0469	3.1121	0.0305	0.8105
71-Dihydroxychlorophyllide a	0.1023	0.7699	0.1228	3.0050
7-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[2-[4-[[5-(formamidomethyl)-3-furyl]methoxy]phenyl]ethylamino]-4-oxo-butyl]amino]-4-oxo-butyl]amino]-7-oxo-heptane-1,3,4-tricarboxylic acid	0.0431	1.8406	0.0795	2.0368
7-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-isopropenyl-7-oxo-heptanoic acid	0.2212	2.9927	0.3431	0.4430
7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-5,6-dimethoxy-3-(4-methoxyphenyl)chromen-4-one	1.3700	0.2457	1.9979	0.3863
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxyxanthen-9-one	0.1847	0.2334	1.4047	2.1773
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-hydroxy-6-(4-hydroxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one	0.9967	1.0131	0.5161	1.4741
7,3^,4^,5^-Tetrahydroxyflavone	0.3580	1.9015	0.1019	1.6386
7,3^-Di-O-methylisoorientin	1.9993	0.9486	0.7681	0.2840
7-(4-Fluoro-phenyl)-5-hydroxy-benzo[1,3]oxathiol-2-one	0.1885	0.8516	0.1092	2.8507
7-[(6-O-alpha-L-Rhamnopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-3^,4^,5^-trimethoxyflavone	0.9834	0.0164	2.9830	0.0172
7,8,8,12,13,21,22-heptahydroxy-19-(hydroxymethyl)-2,17,20,23-tetraoxapentacyclo[16.3.1.1,(1)(1).0,.0(1),(1)]tricosa-4,10,12,14-tetraene-3,6,16-trione	3.2314	0.0913	0.6250	0.0522
({7,8,9,12,13,14,17,18,19,25,29-undecahydroxy-4,22,27-trioxo-3,23,26-trioxahexacyclo[13.10.3.1(2),.0,(1).0(1)(1),(2).0(1),(2)(1)]nonacosa-5(10),6,8,11,13,15(28),16,18,20-nonaen-24-yl}methoxy)sulfonic acid	0.0755	2.1021	0.0544	1.7680
7,8-Dihydroxy-4-methylcoumarin	1.5481	0.0367	2.0309	0.3843
7,8-Dimethyl-10-(2^-acetoxyethyl)isoalloxazine	0.0643	1.1735	0.0596	2.7027
7-Acetoxy-2-methylisoflavone	0.7274	0.1126	2.6884	0.4715
7-Acetyllycopsamine	1.8847	0.2075	1.8602	0.0476
7-bromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b]benzofuran	1.0344	1.1989	0.4904	1.2763
7-Chloro-2-(1-hydroxy-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl)-3,5,6,8-tetramethoxychromen-4-one	0.0221	1.7812	0.0272	2.1696
7-chloro-2-(3,4-dimethoxyphenyl)-5,8-dihydroxy-3,6-dimethoxy-4H-chromen-4-one	2.8309	0.3544	0.5096	0.3050
7-chloro-2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,8-trimethoxy-4H-chromen-4-one	0.5871	1.8997	0.4156	1.0976
7-Chloro-3,4^,5,6,8-pentamethoxyflavone	0.1671	2.6628	0.2842	0.8860
7-chloro-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one	1.0550	0.9407	0.9055	1.0988
7-Deazaadenosine	0.1356	1.7778	0.2741	1.8125
7-Dehydrologanin tetraacetate	0.2696	0.6593	0.0780	2.9930
(7E,7^R,8^R)-e-Viniferin 3^,5^-diglucoside	0.3985	1.8666	0.1226	1.6123
7-Epi-12-hydroxyjasmonic acid glucoside	2.0627	0.0797	1.7063	0.1512
7-Ethyl-10-(4-N-aminopentanoic acid)-1-piperidino)carbonyloxycamptothecin	0.1918	0.0563	0.5581	3.1938
7-Ethyl-10-hydroxycamptothecin	0.7008	1.4482	0.3859	1.4650
7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3,7-diamine	0.9967	1.1872	0.9908	0.8252
7-Hydroxy-2-methyl-3-phenyl-4H-chromen-4-one	1.2163	0.0234	2.7040	0.0563
7-hydroxy-3-(2-methoxyphenyl)-4H-chromen-4-one	2.2708	0.0822	1.6088	0.0381
7-Hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)-1-benzopyran-4-one	0.7125	1.5078	0.7634	1.0163
7-hydroxy-3-(4-methoxyphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one	2.5164	0.2330	1.1523	0.0983
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone	1.7190	1.3395	0.3579	0.5837
7-Hydroxy-6-Methoxy-alpha-pyrufuran	1.6569	0.3179	1.7232	0.3020
7-Hydroxy-6-methoxyisoflavone	0.0230	1.7517	0.1353	2.0900
7-HYDROXY-7-DESACETOXYKHIVORINIC ACID,METHYL ESTER	3.3365	0.3296	0.2723	0.0616
7-Hydroxycadalene	1.3334	0.6450	1.4454	0.5762
7-Hydroxyflavanone	2.8832	0.2049	0.1345	0.7774
7-Hydroxyfluphenazine	0.0270	3.0604	0.0632	0.8495
7-Hydroxylpradimicin A	0.2036	2.6997	0.3675	0.7292
7-Methoxypradimicinone II	1.9107	0.4761	1.5438	0.0693
[7-Methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxyphenyl)-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium	0.1562	1.0479	0.0260	2.7699
7-Methylguanine	1.7147	0.0559	2.1712	0.0582
7-Methylguanosine 5^-phosphate	1.9518	0.1644	1.4282	0.4557
7-Methyluric acid	1.3592	0.4925	1.3431	0.8051
7-nitro-10-octyl-3-phenyl-pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione	0.8881	1.1747	0.6978	1.2394
7-O-Acetyl-N-acetylneuraminate	0.0968	0.8246	0.0546	3.0240
7-O-B-D-Glucopyranoside	1.2335	1.2957	0.9848	0.4860
7-O-Methylluteolin	0.7488	1.3725	0.6375	1.2413
7-Oxo-7H-benzo[e]perimidine-4-carboxylic acid	1.3267	0.0797	2.4943	0.0993
7-[Phenyl(phenylamino)methyl]quinolin-8-ol	0.8605	0.3819	2.3338	0.4238
(7S,9E,11S,12R,13R,14R,15R,16R,17S,18S,19E,21Z)-11,13,15,17,27,29-hexahydroxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-2-olate	2.3730	0.3115	0.9349	0.3807
(7Z,7^R,8^R)-e-Viniferin 3^,5^-diglucoside	1.8898	0.0893	1.9673	0.0537
8-[1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-hydroxypropyl]-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol	1.7113	0.0746	2.1329	0.0813
8,12-Diethylbacteriochlorophyllide d	0.7972	1.8887	0.6097	0.7044
8,16-Dihydroxy-6-(6-hydroxy-1-benzouran-2-yl)-12-methyl-3,13-dioxapentacyclo[10.7.1.02,10.04,9.014,19]icosa-2(10),4,6,8,14(19),15,17-heptaen-11-one	2.1574	0.3206	0.2904	1.2316
8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,13,14-triol	1.5970	0.2159	1.9012	0.2859
8-(2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propan-2-yl)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl 3-methylbut-2-enoate	1.9820	0.1159	1.7670	0.1351
8-[2-(acetyloxy)-1-hydroxypropan-2-yl]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl(2E)-2-methylbut-2-enoate	0.4948	1.5800	0.1391	1.7862
{8-[2-(acetyloxy)propan-2-yl]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl}oxidanesulfonic acid	0.6133	1.3586	0.4666	1.5616
8-[(2-O-Sulfo-beta-D-glucopyranuronosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	2.8606	0.0388	1.0447	0.0559
8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol	1.3845	0.0219	2.5614	0.0322
8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol	1.6104	0.0150	2.3679	0.0068
8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol	0.0623	2.1277	0.0181	1.7919
8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-6-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol	0.0789	2.2974	0.0971	1.5266
8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-6-[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol	0.2624	2.3213	0.1099	1.3064
8-[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol	0.0495	1.3586	0.0722	2.5197
8-[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol	1.5100	0.0623	2.2999	0.1279
8-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one	0.1115	0.6795	0.0403	3.1687
8-[5-(5,7-Dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one	2.2753	0.4489	0.2383	1.0375
8-[5-(5,7-Dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one	0.9782	0.7207	1.3104	0.9907
8-[(6-O-Butyl-beta-D-glucopyranuronosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	1.2209	0.0328	2.7136	0.0328
8-Anilino-1-naphthalenesulfonic acid	0.2985	1.6788	0.4342	1.5885
8^-apo-beta-Carotenol	0.4071	0.1242	3.1169	0.3518
8-Chloro-1-(2,4-dichlorophenyl)-1,4,5,6-tetrahydro-N-1-piperidinyl-benzo[6,7]cyclohepta[1,2-c]pyrazole-3-carboxamide	0.6143	2.0205	0.1273	1.2380
8-demethyl-8-(2,3,4-O-trimethyl-alpha-L-rhamnosyl)tetracenomycin C	0.3761	1.6631	0.1227	1.8382
8-demethyl-8-(2,3-O-dimethyl-alpha-L-rhamnosyl)tetracenomycin C	0.8412	1.1847	0.1380	1.8361
8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C	0.4255	1.4734	0.4705	1.6305
8-demethyl-8-(alpha-L-rhamnosyl)tetracenomycin C	0.0486	2.6343	0.0454	1.2717
8-Demethyltetracenomycin C	0.2834	0.0107	3.6727	0.0332
(8E,10Z,13Z,15E,19Z)-7,17-dihydroxydocosa-8,10,13,15,19-pentaenoic Acid	0.9623	1.0511	0.8278	1.1588
8-Epidermal glycoside	2.1544	0.0470	1.7163	0.0823
8-Hydroxy-2^-deoxyguanosine	0.4966	1.2762	0.3208	1.9064
8-Hydroxy-3-methoxy-1-methylanthraquinone-2-carboxylic acid	2.2359	0.2250	1.3085	0.2306
8-Hydroxydemethylclomipramine	1.3694	0.3650	1.1910	1.0746
8-Methylthiooctyl glucosinolate	0.1254	0.7256	0.1348	3.0143
8-O-Acetyl shanzhiside methyl ester	1.0111	1.4597	1.1750	0.3542
8-O-Methyldihydrosterigmatocystin	0.0889	1.9130	0.0105	1.9875
8-oxo-GDP	2.8034	0.3634	0.6557	0.1775
8-Quinolinesulfonamide	1.5709	0.4108	1.6638	0.3545
(8R,8^R)-Secoisolariciresinol 9-glucoside	1.5554	0.0476	2.1622	0.2348
(8Z,11Z,13E)-15-hydroxyicosa-8,11,13-trienoic acid	1.0175	0.9553	1.0750	0.9523
9,10-12,13-Diepoxyoctadecanoate	2.2496	0.1451	1.4679	0.1374
9,10-Anthracenedione, 1,8-dihydroxy-4-nitro-5-(phenylamino)-	0.0536	1.8596	0.4324	1.6545
9,10-Dihydrokadsurenone	1.2437	1.8111	0.1213	0.8239
9(10)-EpOME	1.8259	0.1015	1.9955	0.0771
9,10-Epoxystearic acid	1.9738	0.0197	1.9681	0.0384
9-(1,3-benzodioxol-5-yl)-4-[(3R,4R,5R)-3-hydroxy-4,5-dimethoxy-tetrahydropyran-2-yl]oxy-6,7-dimethoxy-3H-benzo[f]isobenzofuran-1-one	1.2665	0.7412	1.1134	0.8790
[9,17,19,21-tetrahydroxy-5,13-bis(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaen-6-yl]oxidanesulfonic acid	0.4976	2.1210	0.0827	1.2987
9-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one	0.5061	0.2398	2.6673	0.5868
9-{5-O-[(Sulfonatooxy)phosphinato]pentofuranosyl}-9H-purin-6-amine	2.8141	0.0649	1.0654	0.0556
[(9E,11S,12R,13R,14R,15R,16R,17S,18S,19E,21Z)-2,11,15,17,27,29-hexahydroxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate	1.4725	0.3340	1.9917	0.2019
9-Fluoro-11-oxotestololactone	0.6817	1.6079	0.2215	1.4889
[9-hydroxy-2-(2-hydroxypropan-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-3-yl]oxidanesulfonic acid	0.0085	1.9884	0.0152	1.9879
9-Methoxycamptothecin	0.2573	1.7596	0.0979	1.8852
9-Nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,6-dicarboxylic acid	0.0622	1.9907	0.1376	1.8095
9-Octadecynoic acid	1.4970	0.1770	2.1514	0.1747
9-OxoODE	1.9728	0.4672	1.0826	0.4773
(9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid	0.5688	0.0908	3.2351	0.1052
9-Ribosyl-trans-zeatin 5^-monophosphate	0.3466	1.6627	0.1684	1.8223
(9S,10S,12Z)-9,10-Dihydroxy-12-octadecenoic acid	1.3071	0.0547	2.5432	0.0950
9(S),12(S),13(S)-TriHOME	1.9648	0.2890	1.4983	0.2479
9S-HOTrE	1.3538	0.0068	2.6336	0.0058
(9.Xi.,17alpha,22S)-14,17,20-Trihydroxy-1,26-dioxo-22,26-epoxyergosta-5,24-dien-3-yl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside	0.0774	1.7476	0.2411	1.9339
A3^p5^A3^p5^A	0.0436	2.3492	0.0461	1.5611
Abacavir sulfate	2.3716	0.0798	1.4052	0.1434
Abemaciclib	1.5835	0.8457	1.3379	0.2329
AB-Pinaca	0.2266	1.0451	0.1993	2.5290
Abt-751	0.1971	0.1531	2.9505	0.6994
Abu-Asp-OH	2.7864	0.1748	0.8623	0.1766
Abu-His-OH	2.2606	0.0236	1.6904	0.0255
Abu-Phe4Cl-OH	0.3846	1.9049	0.0807	1.6298
Acacetin	2.3409	0.2634	1.2665	0.1292
Acacetin-7-O-glucuronide	1.4391	1.2393	0.4210	0.9005
Acadesine	3.2578	0.0649	0.5290	0.1483
acarbose 7IV-phosphate	0.3725	0.8019	0.0344	2.7912
Ac-Asp-Glu-Glu	1.3915	1.4007	1.0494	0.1584
Ac-Asp-Glu-Val-Asp-CMK	0.0329	1.9048	0.0471	2.0151
Aceglutamide	0.6885	1.5572	0.2567	1.4977
Acemetacin	0.0961	2.1930	0.2305	1.4805
Acesulfame potassium	0.4130	2.2230	0.3423	1.0217
Acetaminophen sulfate	0.3450	1.6689	0.0892	1.8969
Acetarsol	1.6915	0.7593	0.6352	0.9141
Acetic acid 2-[7-acetoxy-6-(5-acetoxy-6-methoxy-3-phenyl-benzofuran-2-ylmethyl)-chroman-3-yl]-5-methoxy-phenyl ester	1.2198	0.6089	1.6655	0.5058
Acetoacetamide, N-(2-benzothiazolyl)-	0.9403	1.7786	0.9350	0.3461
acetoacetyl-CoA	0.0748	1.2016	0.0457	2.6779
Acetyl-maltose	1.5286	1.7758	0.4712	0.2245
Acetylsulfamethoxazole	0.1942	1.3695	0.3370	2.0992
Acetylvalerenolic acid	1.9845	1.3021	0.1199	0.5935
Acevaltrate	0.0327	3.8325	0.0266	0.1082
aclacinomycin N(1+)	1.7586	0.1280	1.9886	0.1248
aclacinomycin S	1.6660	0.2314	1.6459	0.4567
aclacinomycin T(1+)	0.8207	1.4785	0.0646	1.6362
Aconitan-14-one, 7,8-dihydroxy-20-ethyl-4-(((2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1,6,16-trimethoxy-, (1-alpha,4(S),6-beta,16-beta)-	3.0473	0.0685	0.8667	0.0175
Acrivastine	3.7263	0.0211	0.2417	0.0109
Acteoside	1.7197	0.5394	0.9502	0.7907
Actinamine	1.7305	0.1449	2.0767	0.0479
Actinorhodin	0.3366	2.0309	0.2022	1.4303
Ac-Val-Asp-Val-Ala-Asp-CHO	0.3188	1.7222	0.1601	1.7988
Acylsucrose S4:24[6] (2,5,5,12)	2.2134	0.1955	1.4681	0.1230
Adefovir dipivoxil	1.3723	0.8286	0.3477	1.4514
Adenosine	0.3861	1.5221	1.1395	0.9523
Adenosine 3^,5^-bismonophosphate(4-)	3.4967	0.0273	0.2005	0.2755
Adenosine-5^-phosphosulfate	1.5218	1.4082	0.2154	0.8546
Adenosine monophosphate	0.1963	1.1455	0.2563	2.4019
Adenosine Phosphate Disodium	1.4144	1.1268	1.0667	0.3921
Adenosine tetraphosphate	1.2347	1.9089	0.0588	0.7976
Adenosine thiamine diphosphate	0.0257	2.9693	0.0197	0.9852
Adenosine triphosphate disodium	3.5786	0.1033	0.2282	0.0899
Adenylyl(3^-5^)cytidine	0.1321	2.5060	0.0226	1.3392
Adipokinetic Hormone	0.0566	3.1874	0.1470	0.6090
Adipokinetic Hormone (Taa-AKH)(Tabanus atratus)	0.7958	1.6271	0.7341	0.8430
ADP-D-ribose 1^^,2^^-cyclic phosphate	3.5672	0.1497	0.2117	0.0714
Adpribose	0.7510	0.8924	0.8065	1.5500
Afatinib	0.7315	1.5482	0.4228	1.2976
Aflatoxin G1	2.4535	0.1611	1.1490	0.2364
Aflatoxin G2A	1.2787	0.2713	2.3212	0.1289
Afplef-OH	1.0469	0.0211	2.9067	0.0253
Afzelechin	0.9137	1.1112	1.1362	0.8389
Afzelechin-(4alpha->8)-afzelechin	1.6154	0.0159	2.3442	0.0246
Agaropentaose	0.2284	1.8702	0.3329	1.5685
Agnuside	0.0165	2.0829	0.0155	1.8852
Agrimol F	1.1691	0.0840	2.6976	0.0492
AICA ribonucleotide	2.1857	0.9812	0.5783	0.2548
Ajicef	0.2003	1.6513	0.1880	1.9603
Ajocysteine	1.5852	0.0699	2.3104	0.0346
[Ala2] Met-Enkephalin,amide	0.7930	0.0847	3.0506	0.0717
Ala-Arg-Gly	1.2049	0.0931	2.5552	0.1468
Ala-Asn-Asp-Asp	0.4228	1.8440	0.1186	1.6147
Ala-Asp-Ser-Glu	0.1718	2.2730	0.2201	1.3352
Ala-Glu-Asn-Arg	1.1068	0.1027	2.6743	0.1162
Ala-Leu-Thr-Asp	2.0395	0.1920	1.4299	0.3385
Ala-Met-Gly-Ile-Met	2.1372	0.1578	1.2063	0.4987
Ala-Met-Trp	0.9335	0.0967	2.7609	0.2090
Ala-Nap-OH	0.6306	1.7075	0.1932	1.4688
Alanylhistidylarginine	0.6965	0.0896	3.1277	0.0861
Ala-Phe4Cl-OH	0.4647	0.1367	0.0505	3.3481
Ala-Phe-Ile-Arg	1.3600	0.4198	1.8361	0.3841
Ala-Pro-Ala	0.6091	1.0545	0.3347	2.0017
Alatolin	2.3545	0.4086	0.8983	0.3385
Ala-Val-Ala-Ile-Gln	1.2825	0.7703	1.0312	0.9160
Ala-Val-Gln-Glu	2.6725	0.2468	0.7513	0.3294
Albafuran A	0.0232	1.7791	0.0289	2.1688
Albamycin;Cathomycin	0.7620	0.1493	2.9593	0.1293
Albanol B	2.3231	0.0805	1.4938	0.1026
Albendazole sulfone	0.0582	1.9225	0.2073	1.8120
Alectinib Hydrochloride	0.0510	1.7019	0.3636	1.8834
Alendronic acid	1.3798	0.0383	2.4718	0.1101
Alkaloid A6	1.2404	0.1080	2.5599	0.0917
Allantoic acid	2.2035	0.8471	0.3931	0.5564
Allantoin	3.3191	0.2768	0.3204	0.0837
All trans decaprenyl diphosphate	1.4356	0.2162	1.9511	0.3970
All-trans-heptaprenyl diphosphate	1.0344	0.8000	1.5306	0.6349
All-trans-heptaprenyl diphosphate(3-)	0.9736	0.7857	1.1540	1.0866
All-trans-hexaprenyl diphosphate	0.7314	0.0892	3.0279	0.1516
Allura Red AC	2.4870	1.3688	0.0302	0.1140
Allyl propyl disulfide	0.5374	0.0313	3.3451	0.0861
Almotriptan N-Oxide	0.3196	1.3723	2.2496	0.0585
Aloe emodin	0.2087	0.8333	0.0536	2.9044
Aloenin	0.7081	1.3458	0.5505	1.3955
Aloeresin A	1.8439	0.1399	1.8317	0.1845
Aloeresin D	0.0049	2.0231	0.0618	1.9102
Aloesin	1.2236	1.1995	0.4451	1.1319
alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol	0.1877	2.3120	0.1002	1.4001
alpha-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID	0.2366	2.2223	0.0329	1.5082
alpha-Amyryl stearate	2.4582	0.3301	0.8681	0.3436
alpha-Bag Cell Peptide (1-7)	1.0156	0.3258	2.3414	0.3173
alpha-CEHC glucuronide	0.6388	0.0388	3.2444	0.0781
alpha-D-Galactosamine 1-phosphate	0.0255	1.9425	0.0101	2.0219
alpha-D-Galactose 1-phosphate	0.1829	1.6899	0.0319	2.0953
alpha-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-beta-D-fructofuranosyl, tetraacetate	2.8217	0.4979	0.3215	0.3589
alpha-D-glucose-6-phosphate	0.5409	1.4071	0.3837	1.6683
alpha-Dimorphecolic acid	2.0202	0.4380	1.1465	0.3953
alpha-D-xylopyranosyl-(1->3)-beta-D-glucopyranuronosyl-(1->3)-alpha-D-xylopyranosyl-(1->3)-beta-D-glucopyranuronic acid	0.0373	1.7962	0.0407	2.1258
alpha-D-xylopyranosyl-(1->6)-[alpha-D-xylopyranosyl-(1->6)-beta-D-glucopyranosyl-(->4)]-beta-D-glucopyranose	0.0256	2.3167	0.0295	1.6282
alpha-Glutamylaspartic acid	0.0361	2.0990	0.0047	1.8603
alpha-Hydroxytriazolam	0.0878	1.4463	0.0472	2.4186
alpha-Ketoisovaleric acid	1.0578	0.4730	1.9407	0.5286
alpha-Lactose 6^-phosphate	0.2558	0.4599	0.3964	2.8878
alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-D-GlcpNAc	1.8547	0.1183	1.8590	0.1679
alpha-L-Mannopyranoside, 4-(2-(dimethylamino)ethyl)phenyl 6-deoxy-	1.2557	0.1509	2.4509	0.1425
alphamethylacetoacetyl CoA	0.0357	1.8089	0.0310	2.1244
alpha-Methyl-m-tyrosine	0.1787	1.7890	0.2704	1.7620
alpha-Peltatin	2.1262	0.2597	1.0581	0.5560
alpha-Phocaecholic acid	0.2006	2.5566	0.4577	0.7851
Alpha-Phosphoribosylpyrophosphoric Acid	1.9146	0.1992	1.8553	0.0309
Alpha-Trisaccharide	1.1392	0.0371	2.7883	0.0354
(+)-alpha-Viniferin	0.0388	1.8451	1.1113	1.0047
Aluminium acetoacetate	0.0735	1.4047	0.0273	2.4946
Amarogentin	1.4973	0.4039	1.6567	0.4421
Amcinonide	2.3972	0.1681	0.9757	0.4589
Amflutizole	0.1183	1.9373	0.1083	1.8361
Amfonelic acid	1.7234	1.5536	0.2025	0.5205
Amidosulfuron	0.0417	1.2574	0.1223	2.5786
Amifostine	0.3350	1.9261	0.3235	1.4153
AminoDAHP	1.3031	0.0212	2.4201	0.2556
Aminophylline	1.2235	0.0123	2.7349	0.0293
Amitriptylinoxide	1.0158	1.1320	0.5204	1.3318
Amlaic acid	2.0440	0.0275	1.8808	0.0477
Amlexanox	1.5687	1.0848	0.3524	0.9941
Amlodipine besylate	0.7621	0.1244	2.9881	0.1254
Ammelide	0.3812	2.0496	0.2913	1.2779
Ammiol	1.3286	0.3104	2.2476	0.1134
Ampelopsin A	0.1156	0.1839	0.8836	2.8169
Ampeloside Bs1	1.0443	0.6076	0.9680	1.3801
Ampicillin	0.1240	3.4640	0.0869	0.3251
Amritoside	3.1612	0.3351	0.3226	0.1811
Amsacrine	0.6195	1.5204	0.3684	1.4917
Amylose	2.6826	0.0515	1.1340	0.1319
Amylotetraose	0.0109	1.8829	0.0110	2.0952
Anatalline	0.6228	0.5646	2.5568	0.2558
Anatibant	0.0855	1.5660	0.0345	2.3140
Angiotensin I/II (5-8)	0.9263	1.6976	0.6181	0.7580
Anhydroamarouciaxanthin B	0.2026	1.7380	0.0431	2.0163
Anhydrochlortetracycline	1.9676	0.2737	0.9314	0.8274
Anhydrotetracycline	0.0706	1.7614	0.0568	2.1112
Antazoline	0.7076	0.7823	1.9763	0.5338
Anthemis glycoside B	1.9340	0.0807	1.9691	0.0162
Anthralin	1.7357	0.0617	1.9584	0.2443
Antillatoxin B(red color)	1.1993	0.7465	1.2962	0.7579
antimycin A1	1.0830	0.2674	2.4843	0.1653
Apafant	0.0424	1.9612	0.0739	1.9225
Apigenin	1.6027	0.1282	2.0967	0.1724
Apigenin 4^-glucoside	0.0412	0.4802	0.0350	3.4436
Apigenin 7,4^-dimethyl ether	0.9374	0.1287	0.0307	2.9031
Apigenin 7-(6^^-malonylglucoside)	0.9502	0.9724	1.2316	0.8458
Apigenin 7-glucuronide	1.7327	0.0676	2.1656	0.0342
Apigenin 7-[glucuronyl-(1->2)-glucuronide] 4^-glucuronide	0.1075	2.8526	0.0573	0.9826
Apigenin 7-O-(2^^-O-acetylglucoside)	2.9236	0.1098	0.2021	0.7645
apigenin-7-O-gentiobioside	1.4797	0.0092	2.5022	0.0089
Apigenin-7-O-rutinoside-4^-O-rutinoside	0.0299	2.1372	0.0188	1.8141
Apigenin 7-[rhamnosyl-(1->2)-galacturonide]	0.3566	1.9117	0.1074	1.6243
Apigenin 7-sulfate	0.0410	2.2190	0.0280	1.7121
Apigenin-8-C-(2^^-feruloyl)glucoside	0.3740	0.8667	2.1176	0.6417
Apiin	2.0015	0.2514	1.6354	0.1117
Apocynol B	0.2610	0.1267	3.5655	0.0468
Aquayamycin	0.9803	1.6001	0.6494	0.7702
Arabinonic acid	0.2238	1.7364	0.1820	1.8578
Arachidonoyl Serotonin	1.1324	0.5060	1.3947	0.9669
Arachidonoyl Thio-PC	2.1309	1.5261	0.2633	0.0797
Araliacerebroside	0.5936	1.2685	0.2733	1.8645
Arecatannin B1	0.3220	1.7620	0.1056	1.8104
Arg-Arg	0.4892	0.6363	2.1596	0.7149
Arg-Arg-Lys-Ala-Ser-Gly-Pro	0.0443	1.7931	0.1783	1.9843
Arg-Gln-Ser-Lys	1.6173	0.0714	2.2461	0.0652
Arg-Glu-Ala-Phe-Arg	0.8224	1.4776	0.0648	1.6351
Arg-Gly-Glu-Val-Leu	1.1388	0.1531	2.0780	0.6302
Arginyl-glycyl-aspartic acid	1.3503	0.0919	2.5152	0.0426
Arginyl-glycyl-glutamyl-serine	0.3966	2.5763	0.3512	0.6759
Arg-Tyr-Arg	1.1169	0.0848	2.7238	0.0744
Arg-Tyr-Asn-Glu	1.4633	0.1981	2.2924	0.0462
Arillatose B	0.3533	2.2427	0.1202	1.2837
Aristolochic acid	1.4185	0.0595	2.2705	0.2516
Armillatin	0.1404	1.6537	0.3760	1.8300
Arsonoacetic acid	1.9177	0.1446	1.9073	0.0304
Artemetin	2.1797	0.7352	0.8155	0.2696
Artemidinol	0.1071	2.2236	0.0326	1.6367
Artocommunol CB	0.8389	0.0646	2.9761	0.1204
Artomunoxanthentrione	1.3864	0.0005	2.6115	0.0016
Artonin K	0.1180	2.9740	0.0211	0.8869
artonol B	0.1242	3.0565	0.0695	0.7498
Ascochitine	0.0815	1.8710	0.0287	2.0188
Ascorbate 2-sulfate	1.3977	1.0242	0.8766	0.7016
Ascorbic acid	1.5763	0.0108	2.0840	0.3289
Asiatic acid	0.2734	1.4288	0.1807	2.1171
Asn-Asn-Thr	1.7816	0.4192	1.0669	0.7322
Asn-Cys-Gly	1.4919	1.2632	0.5857	0.6591
Asn-Gln-Tyr-Glu	0.7828	1.0979	1.3902	0.7290
Asn-Glu-Thr-Asp-Leu	1.6697	0.0804	2.1770	0.0729
Asn-Pro-Lys-Ala-Met	0.6219	0.5754	0.2914	2.5113
Asn-Pro-Tyr	1.5678	0.2167	2.0301	0.1853
Asn-Thr-Gln-Glu	0.5341	1.8142	0.2946	1.3572
Asn-Trp	0.2982	2.7303	0.1438	0.8277
Asn-Tyr	0.4301	2.1492	0.0689	1.3518
Asn-Tyr-Asp-Arg	0.0407	3.1807	0.0462	0.7324
Asn-TyrMe-OH	3.0179	0.1701	0.6343	0.1778
Asp-Ala-His-Asp	1.6812	0.2959	1.2678	0.7551
Asparagylasparagylarginine	1.9708	0.2547	1.4470	0.3274
Asparagylcysteine	2.3247	0.8340	0.2476	0.5938
Aspartylalanine	1.0302	0.7026	1.5936	0.6737
Aspartylasparagine	2.4496	0.5095	0.8852	0.1557
Aspartylaspartylarginine	0.0008	2.0107	0.0001	1.9885
Aspartylhistidyllysine	0.2846	1.9028	0.0732	1.7394
Aspartylmethionine	0.0399	2.6891	0.0454	1.2256
Aspartylmethionyllysine	0.7367	0.5142	1.3160	1.4331
Asp-Asp-Asp-Asp-Asp	0.5527	1.4061	1.1776	0.8636
Asp-Asp-Asp-Asp-Asp-Asp	0.0194	2.0569	0.0081	1.9156
Asp-Asp-Trp	0.8414	0.0835	2.9954	0.0797
Asperlicin	0.1355	2.2291	0.2407	1.3947
Asp-Gln-Ala-Asp	0.0382	2.0467	0.0225	1.8926
Asp-Glu-Thr-Asp	1.6277	1.1437	0.4703	0.7584
Asp-Gly	1.7622	1.1608	0.9807	0.0963
Asp-Gly-His-Ser-Thr	0.7523	0.1745	2.8553	0.2179
Asp-His-Tyr	0.3646	1.8039	0.1654	1.6661
Asp-HoPhe-OH	0.8251	1.3319	0.3459	1.4971
Aspidospermine	1.9921	0.0766	1.8074	0.1240
Asp-Ile-Tyr-Asp	3.2291	0.0413	0.6009	0.1287
Asp-Lys-Leu-Gly-Glu	0.1138	1.7259	0.2972	1.8631
Asp-Met	0.0206	2.0822	0.4455	1.4517
Asp-Nap-OH	2.8407	0.4271	0.4608	0.2715
Asp-Phe4Cl-OH	0.8508	0.0125	3.0899	0.0469
Asp-Pro-Thr-Lys-Val	0.3409	0.1642	3.3538	0.1411
Asp-Ser	0.5300	2.0253	0.3008	1.1439
Asp-Ser-Glu-Asp	0.1402	2.3006	0.0447	1.5145
Asp-Ser-Glu-Glu-Glu	0.4554	1.7760	0.1658	1.6028
Asp-Thr-OH	0.0979	2.9829	0.1593	0.7599
Asp-Thr-Tyr-Ala-Val	0.3176	0.8884	0.8340	1.9600
Asp-Tyr	2.6434	0.4011	0.5097	0.4459
Asp-TyrMe-OH	1.1584	0.6602	1.2869	0.8946
Aspulvinone E	2.3283	0.2079	1.2455	0.2183
Asp-Val	0.0803	1.4540	0.0935	2.3721
Asterric acid	1.7560	0.0565	2.1198	0.0677
Asticolorin C	0.0721	2.3817	0.0040	1.5422
Atipamezole hydrochloride	0.0376	2.3560	0.0386	1.5677
Atorvastatin	0.1767	2.9367	0.0448	0.8417
Atractyloside	0.0318	1.9993	0.0073	1.9616
Atractyloside D	0.0884	1.7418	0.2423	1.9276
Atractyloside F	0.0644	1.7723	0.2019	1.9613
Atromentin	2.5109	0.1444	1.1462	0.1986
Atrovent Hfa	0.1186	2.0698	0.0947	1.7169
Aucubin	3.0154	0.0243	0.8450	0.1152
Aurantio-obtusin	0.1212	2.3813	0.0659	1.4316
Aurasperone A	0.0704	3.6558	0.0510	0.2228
Aurasperone B	1.3733	0.3794	1.0356	1.2117
Aurasperone C	0.2385	3.0436	0.2538	0.4641
Aurasperone E	0.0513	3.1673	0.0226	0.7587
Auriculoside	2.6212	0.9535	0.0178	0.4075
Aurothioglucose	1.2147	0.9793	0.6930	1.1130
Austidiol	1.9256	0.0058	2.0636	0.0051
Austrocolorin A1	2.8886	0.1348	0.8254	0.1512
Autumnolide	1.1863	0.0325	2.7574	0.0238
Avatrombopag	1.8340	0.4065	1.1881	0.5715
Avermectin A2b aglycone	1.9501	0.3222	1.5163	0.2114
Avermectin B2b monosaccharide	0.0750	0.4228	3.1331	0.3691
Avicularin	0.5624	0.1690	2.9946	0.2740
Axitinib	0.7392	0.7172	1.9187	0.6248
Azamethiphos	1.7137	0.7019	0.9292	0.6552
Azimsulfuron	0.7589	0.0329	3.1719	0.0363
Azinphos-methyl	0.4541	1.7236	0.2866	1.5357
Azo rubin S	0.3905	1.1144	0.1141	2.3809
Bactobolin	0.1272	1.6466	0.0375	2.1887
Baicalein 6-methylether-7-O-beta-galactopyranuronoside	1.0448	1.0251	1.2905	0.6396
Bapta-AM	1.5858	0.2143	1.9977	0.2021
Barbital	1.1146	0.9322	1.1869	0.7662
Baricitinib phosphate	0.1383	2.1246	0.2242	1.5129
Bartsioside, >=95% (LC/MS-ELSD)	0.8097	0.1969	2.8229	0.1704
Bazedoxifene HCl	1.1428	0.2915	2.1860	0.3797
b-D-Xylopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-D-fucose	0.0349	1.0899	0.0107	2.8645
Beclomethasone dipropionate	0.1115	3.3071	0.1533	0.4282
Beiwutine	0.1785	1.6308	0.1103	2.0804
Benanserin	0.8597	0.1224	2.9527	0.0652
Bendamustine hydrochloride	1.8830	0.2623	1.1469	0.7079
Bentazone	0.1297	1.9468	0.1060	1.8175
Benzenamine, 4-(8-chloro-2-methyl-11H-imidazo(1,2-C)(2,3)benzodiazepin-6-yl)-	0.6616	1.2478	0.9301	1.1606
Benzeneacetic acid, 3-((acetyloxy)methyl)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,6,8-trimethyl-1-((2-methyl-1-oxobutoxy)methy)-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester	0.1639	2.1861	0.4381	1.2118
Benzenesulfonamide, 2-(cyclohexylamino)-5-nitro-N-((pentylamino)carbonyl)-	0.4120	2.8352	0.1225	0.6303
Benzenesulfonamide, 4-amino-N-(4-iodophenyl)-	0.1311	1.3424	0.1043	2.4222
Benzenesulfonamide, 4-chloro-N-methyl-3-nitro-	0.9519	0.9599	0.8887	1.1995
Benzenesulfonamide, 5-((4-((2,3-dimethyl-2H-indazol-6-yl)amino)-2-pyrimidinyl)amino)-2-methyl-	0.0423	3.1191	0.0293	0.8093
Benzo(a)pyrene-9,10-diol	0.0215	1.9974	0.0058	1.9752
Benzo[b]thiophene-2-carboxamide,3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-[[3-(4-pyridinyl)phenyl]methyl]-	1.7698	0.0429	2.1334	0.0539
Benzofenap	1.5434	0.9782	0.5544	0.9240
Benzofuran	1.4439	0.0255	2.4843	0.0462
Benzo[ghi]fluoranthene	1.6900	0.1460	2.0083	0.1558
Benzoyl-beta-D-glucoside	1.4706	0.1286	2.2677	0.1331
benzoyl-coenzyme A	0.3000	2.0749	0.2083	1.4169
Benzoyl disulfide	0.4266	1.5314	0.3841	1.6578
Benzoylmalic acid	2.0812	0.0725	1.7350	0.1112
Benzoylsalireposide	1.5703	0.0794	1.8531	0.4971
Bepotastine besilate	0.1400	1.3177	1.2642	1.2781
Beraprost sodium	1.3126	0.2066	2.2639	0.2168
Bergaptol	2.1803	0.4005	1.3384	0.0808
Bergenin	2.8713	0.0548	0.8746	0.1992
Besifovir	1.9409	0.2337	1.5425	0.2829
beta-Amino isobutyrate	0.2957	2.2051	0.0746	1.4246
beta-aminopropionyl-CoA	1.5306	0.2217	2.0415	0.2063
Beta-Cortol	0.2385	0.9380	0.0792	2.7443
beta-D-Fructose 2-phosphate	1.0201	0.4611	1.7099	0.8089
beta-D-Galp-(1->4)-beta-D-GlcpNAc6S-(1->3)-D-Galp	2.9809	0.2223	0.6767	0.1201
beta-D-GlcpNAc6S-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc6S-(1->3)-D-Galp	0.2834	1.6045	0.1717	1.9405
beta-D-Glucopyranose, 1-thio-, 1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate)	0.2950	1.7093	0.1214	1.8743
beta-D-Glucopyranoside 3-[(1Z)-2-[4-(beta-D-glucopyranosyloxy)-2-hydroxyphenyl]ethenyl]-5-hydroxyphenyl	3.0090	0.0536	0.9139	0.0235
beta-D-Glucose pentaacetate	2.9450	0.1450	0.6873	0.2227
beta-D-Glucosyloxydestruxin B	0.8554	1.6155	0.5844	0.9446
beta-Glucogallin	0.1723	2.5960	0.0220	1.2097
beta-Lactose	1.1460	0.0962	2.6645	0.0934
beta-L-fucose 1-phosphate	0.0445	2.8040	0.0253	1.1262
Betamethasone acetate	1.7838	0.0319	2.1413	0.0431
beta-Nicotinamide ribose monophosphate	0.4934	1.0818	1.5121	0.9127
beta-Peltatin A	0.6167	1.5419	0.1272	1.7142
Beta-Tyrosine	2.5499	0.3378	0.9344	0.1778
Betavulgarin glucoside	2.7067	0.2603	0.2344	0.7986
Betrixaban	2.8752	0.3455	0.4673	0.3120
Betulinic acid	3.5494	0.0305	0.3591	0.0609
Betulonic acid	0.5926	0.4278	0.0676	2.9120
Bevenopran	1.1709	0.9665	1.1436	0.7190
Bezafibrate	2.3572	0.2090	1.1763	0.2575
Biapenem	2.4651	0.5459	0.7088	0.2801
Bicalutamide	1.5642	0.0077	2.4251	0.0030
Bilastine	1.0366	0.0891	2.8005	0.0738
(-)-Bilobalide from ginkgo leaves	1.3072	0.5946	1.5187	0.5795
Binimetinib	2.4414	0.2055	1.2592	0.0939
Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside)	2.3144	0.6867	0.7173	0.2816
Biocytin	0.0254	2.1857	0.0449	1.7439
Biosone	0.0900	1.5537	0.0421	2.3143
Biotin sulfone	2.6359	0.0181	1.1812	0.1648
Biphenyl-2,3-diol	0.0456	2.0033	0.0281	1.9231
bis(1L-myo-inositol) 3,1^-phosphate 1-phosphate(3-)	1.3799	0.4563	1.6321	0.5318
Bis(2-hydroxyethyl) phthalate	2.6180	0.1462	1.1664	0.0694
Bis(4-chlorophenyl)acetic acid	0.3948	1.6797	0.0895	1.8360
Bis(4-cyanophenyl)methanol	0.7626	1.2904	0.5253	1.4217
Bis(4-hydroxyphenyl)methanol	0.0958	1.7462	0.0230	2.1350
Bis-5,5-nortrachelogenin	0.1477	2.0919	0.2110	1.5494
Bis-(5-acetyl-8-hydroxyquinolinium)sulfate	0.1546	1.2634	0.2229	2.3591
Bis(7-hydroxyheptyl) hexanedioate	1.4748	0.3764	1.3921	0.7566
Bis(beta-glucosyluronate)bilirubin	1.3881	0.2730	2.1158	0.2231
Bisdemethoxycurcumin	1.9538	0.0751	1.6917	0.2794
Bisdethiobis(methylthio)gliotoxin	0.0392	0.0954	3.7855	0.0799
Bis(dinitrophenyl)lysine	0.1930	1.5950	0.0170	2.1950
Bis-gamma-glutamylcysteinylbis-beta-alanine	1.7985	0.1805	1.8238	0.1971
Bis(glutathionyl)spermine	0.9548	0.1270	2.7465	0.1718
Bisindolylmaleimide IV	1.8647	0.2205	1.6546	0.2603
Bismahanine	1.2214	0.0401	2.6823	0.0562
Bismurrayaquinone A	2.4635	0.2182	1.1882	0.1302
Bisosthenon B	0.3977	2.5632	0.2191	0.8199
bisphenol A diglycidyl ether	3.1900	0.1517	0.6034	0.0549
Bissalicyl fumarate	0.0237	2.2013	0.0212	1.7538
BIX 01294 Trihydrochloride	0.0162	1.6920	0.0119	2.2799
Blasticidin S	1.8227	0.0601	1.9897	0.1275
Bleekerine	1.3871	0.0456	1.0461	1.5211
Blestrianol C	0.6029	0.0454	3.2883	0.0635
Blestriarene B	1.4488	0.2594	1.3536	0.9382
BL III	2.6617	0.4301	0.5216	0.3866
Blood Group H Type 2 Core 3-Thr	1.9970	0.0964	1.7647	0.1419
(+/-)-Bocconarborine A	0.0832	2.0129	0.0100	1.8939
Boc-l-alanine	1.9288	0.7282	1.0130	0.3300
Boldenone sulfate	0.7931	0.3675	0.2055	2.6339
Boscalid	0.8329	1.5634	0.4560	1.1477
Bougainvillein-r-I	0.0728	2.5265	0.0937	1.3069
Bovinic acid	1.5583	0.2918	1.7496	0.4002
Brevifolincarboxylic acid 9-sulfate	2.0859	0.0760	1.6535	0.1847
Brexpiprazole	0.6601	0.2222	2.9456	0.1721
Brilliant Blue FCF	0.0750	1.7347	0.0633	2.1271
Brofezil	1.7146	0.0399	2.1524	0.0931
Bromadiolone	0.0541	1.3976	0.0754	2.4730
Bromamid	0.0490	2.7189	0.0203	1.2118
Bromazepam	0.8530	1.2165	0.9272	1.0033
Bromethalin	0.0279	1.8563	0.0733	2.0426
Bromfenac	1.4243	0.4169	1.5603	0.5986
BROMO-3-HYDROXY-4-(SUCCIN-2-YL)-CARYOLANE-LACTONE	0.4484	1.6036	0.1735	1.7746
Bromopride	0.4721	3.2715	0.1311	0.1253
Bromosporine	0.2869	1.9358	0.1148	1.6624
Bromperidol	1.8422	0.4879	0.9708	0.6991
Brown HT	1.8230	0.4540	1.3710	0.3520
Bruceantinol	0.9886	1.1534	1.1110	0.7469
Bruceine C	3.3603	0.2008	0.2443	0.1947
Bucladesine	0.1219	3.5128	0.1967	0.1686
Buclizine	0.1229	2.0028	0.0989	1.7754
Bufotenine O-glucoside	1.1353	0.9389	0.9640	0.9618
Bulleyaconitine A	1.2973	0.1737	1.5849	0.9441
Bumetanide	0.0153	1.9885	0.0198	1.9763
Bursehernin	2.0410	0.0951	1.6823	0.1816
Bussein B	1.6452	0.1586	2.0919	0.1043
Butacaine	1.2570	0.5363	1.3164	0.8904
Butein	1.3970	0.0281	2.3874	0.1875
Butin	1.6324	0.0025	2.0444	0.3206
Butoconazole	0.1654	1.9221	0.0967	1.8158
Butorphanol	1.5228	0.0566	2.2952	0.1254
Butyl 4-[(chloroacetyl)amino]benzoate	2.4596	0.0981	1.3895	0.0528
Butyryl-CoA	0.0408	0.4353	0.0353	3.4885
C-1027 Chromophore	0.0463	1.6803	0.0388	2.2346
C26:1 GlcCer	0.0105	2.3597	0.0111	1.6187
C35H36F3N3O5	0.9625	0.0652	2.8894	0.0829
C646	0.1346	1.7506	0.0887	2.0260
cADPRP	2.1386	1.0445	0.3151	0.5017
Cafenstrole	1.7034	0.2180	1.6608	0.4178
Caffeic acid	1.4055	0.0206	2.5599	0.0141
Caffeic acid 3-sulfate	1.6742	0.0031	2.3139	0.0088
Caffeoyl-coa	2.3290	0.5446	0.6099	0.5164
Caffeoylmalic Acid	1.4178	0.0190	2.5123	0.0509
Caftaric acid	0.0562	1.9816	0.0931	1.8690
Calcium carbimide	1.0823	1.0254	1.0259	0.8664
Calcium pantothenate	1.8023	0.5228	0.9553	0.7196
Calcium;trisodium;2-[[2-[bis(carboxylatomethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate	0.0572	1.3198	0.2137	2.4093
Calicheamicin T0	3.4766	0.0545	0.3186	0.1503
Calmidazolium	0.1539	2.3645	0.2126	1.2690
Calphostin C	0.0168	2.4002	0.0202	1.5629
Calycanthoside	2.6648	0.0473	1.1474	0.1405
calyxin B	0.0681	2.3389	0.0208	1.5722
Camostat mesylate	0.3370	0.9443	1.6397	1.0790
Campesteryl brassidate	0.1077	0.1941	0.3957	3.3025
Camptothecin	1.5161	0.6559	1.1463	0.6817
Candesartan	0.1744	1.2991	0.2214	2.3051
Cannabinol	1.8792	0.0345	2.0711	0.0152
Cannabipiperidiethanone	2.1624	0.0480	1.7264	0.0632
Cannabisin-b	1.6305	0.0897	2.2104	0.0695
Cannabisin C	0.0888	3.7678	0.0257	0.1178
Cannabisin E	1.2264	0.0733	2.6289	0.0714
Caprylic acid	0.4865	1.5366	0.6908	1.2862
Captopril disulfide	0.1031	0.1592	1.9275	1.8102
Carbenicillin	1.4936	0.8635	0.4332	1.2097
Carbobenzyloxy-L-alanyl-L-norleucine methyl ester	0.3588	1.6175	0.4870	1.5366
Carboprost tromethamine	0.1911	0.0422	3.6728	0.0940
Carboxytolbutamide	1.2177	0.2650	2.2348	0.2825
Cardamonin	0.3810	2.0293	0.2104	1.3792
Carfecillin sodium	0.0628	1.6292	0.5052	1.8029
Carglumic acid	0.8821	1.5029	0.2096	1.4053
Carminic acid	3.2116	0.0474	0.6941	0.0469
Carprofen	0.0150	2.1336	0.4158	1.4356
Carvacrol 2-O-beta-glucopyranosyl(1-2)-beta-glucopyranoside	1.6411	0.2177	2.0427	0.0985
Carvyl propionate	0.4548	0.1129	3.4049	0.0273
Caryoptin	1.1809	0.5386	1.7760	0.5046
Caspase-3 Precursor Protease Substrates	0.2608	1.7531	0.0461	1.9400
Caspase-9 Substrates 1,chromogenic	0.4723	1.6400	0.0729	1.8149
Cassiaside	0.9115	1.1650	0.1431	1.7804
(-)-Catechin	1.7746	0.2069	1.9144	0.1040
Catechin-(4alpha->8)-gallocatechin-(4alpha->8)-catechin	3.3729	0.1931	0.1069	0.3271
Catheduline E2	0.0478	2.6055	0.1105	1.2362
Caulerpin	0.3499	1.5321	0.8067	1.3112
Caylin-2	1.4479	0.0291	2.4887	0.0343
CDP-4-dehydro-6-deoxy-alpha-D-glucose	3.0731	0.5171	0.1969	0.2129
Cefazedone	1.7945	0.1029	1.9597	0.1429
Cefixime	0.0041	2.1214	0.0011	1.8734
Cefmenoxime	0.7594	1.2825	0.7244	1.2337
Cefoperazone	0.9052	0.0381	3.0205	0.0363
Cefoselis	1.1336	0.0747	2.7028	0.0889
Cefoselis sulfate	0.0185	2.0361	0.0236	1.9217
Cefotetan	2.4117	0.2082	1.2199	0.1603
Cefotetan disodium	1.3350	0.4885	1.7629	0.4136
Cefotiam	0.0081	2.3879	0.0032	1.6008
Cefotiam dihydrochloride	2.7987	0.0552	0.0124	1.1337
Cefpiramide sodium	2.0175	0.7010	0.7673	0.5142
Cefpirome sulfate	0.0096	2.0272	0.0178	1.9454
Cefsulodin sodium	1.6622	0.6127	0.8140	0.9111
Ceftibuten	2.1121	1.0925	0.5158	0.2796
Ceftizoxime	2.6624	0.7505	0.4083	0.1789
Celephthalide C	0.5495	1.5229	0.8715	1.0561
Cellopentaose	1.2382	0.0107	2.7203	0.0308
Cerberin	0.6154	0.2599	2.9512	0.1735
Cetirizine N-oxide	0.5100	1.2161	0.2614	2.0125
Chaetochromin	0.8152	0.4470	0.0386	2.6993
Chaetoglobosin N	0.5933	0.0789	3.2480	0.0797
Chalcomoracin	0.3746	0.8166	1.6930	1.1158
Chamaemeloside	2.2976	0.5562	0.7163	0.4299
Chamissonolide	1.3404	0.0164	2.6221	0.0211
Chartreusin	0.3342	2.2752	0.0891	1.3015
(+)-Chebulic acid	0.0639	1.6868	0.0485	2.2008
Chicago blue	1.0822	1.0655	0.8280	1.0244
Chicoric acid	1.3102	1.6188	0.2393	0.8317
Chinomethionat	1.2302	0.3363	2.2181	0.2154
Chlorambucil	0.1541	1.7346	0.1143	1.9971
Chloramphenicol	0.1894	1.9792	0.1612	1.6702
Chloramphenicol 3-acetate	2.9285	0.5507	0.1648	0.3560
Chlorazol black E	2.8191	0.5164	0.2183	0.4462
Chlordiazepoxide	1.7533	0.0725	2.1027	0.0715
Chlorflurenol-methyl	0.2832	1.3754	0.1006	2.2408
Chlorhexidine gluconate	0.6553	0.2463	2.9411	0.1572
Chlormephos	1.6003	0.5473	1.6609	0.1915
chloroethylmalonyl-CoA	0.6928	1.4397	0.5880	1.2795
Chlorogenic Acid	2.1600	0.4837	0.4012	0.9551
Chloroxuron	0.1214	2.1701	0.2386	1.4700
Chlorpromazine	0.6759	0.0441	3.2437	0.0363
Chlorpropamide	0.0767	2.0739	0.0118	1.8376
Chlorpropham	0.4240	1.1596	0.4093	2.0071
Chlortetracycline	1.4915	0.8750	0.6468	0.9867
Chromopyrrolate	2.6174	0.3877	0.6004	0.3945
Chrysin	0.3504	2.0106	0.2220	1.4170
Chrysoeriol-6-C-glucoside-4^-O-(6^^-sinapoyl)glucoside	0.8960	0.3408	2.2104	0.5528
Chrysoeriol-7-O-(6^^-feruloyl)glucoside	2.2183	0.0457	1.6566	0.0794
Chryso-obtusin glucoside	0.0736	1.1526	0.0910	2.6828
Chrysophanol	0.0048	1.5522	0.0175	2.4254
C.I. Acid Blue 9	0.0438	3.5142	0.0217	0.4202
C.I. Acid Green 5	2.2697	0.2775	0.8557	0.5971
C.I. Basic Red 9	3.4727	0.1020	0.2986	0.1267
Ciceritol	0.1073	0.8117	0.1756	2.9054
CID 101635263	1.1516	1.0184	0.9864	0.8436
CID 119470	1.1630	0.2299	2.3642	0.2429
CID 12000883	0.0729	1.7342	0.0470	2.1459
CID 131751332	0.5985	1.1450	0.1992	2.0573
CID 131835430	0.8749	2.1761	0.3274	0.6217
CID 131838408	0.4465	1.6918	0.3472	1.5145
CID 13940613	0.0619	2.0139	0.0482	1.8761
CID 14284670	0.0536	2.1001	0.0243	1.8220
CID 14586214	0.2203	2.0467	0.4381	1.2949
CID 155881	0.2016	0.0689	3.5959	0.1335
CID 21594201	1.7394	0.1098	1.9171	0.2336
CID 21723007	1.6972	1.4148	0.4099	0.4781
CID 23679441	0.6864	0.4777	2.6402	0.1957
CID 25079954	1.9262	0.5229	0.2655	1.2855
CID 317610	2.4831	0.0496	1.3428	0.1245
CID 440908	0.0864	1.9905	0.0816	1.8415
CID 476785	0.0415	2.0701	0.0065	1.8818
CID 53394082	0.2841	1.2375	0.2770	2.2014
CID 72682693	0.6729	0.3828	2.2338	0.7105
CID 73093432	3.0688	0.1009	0.5580	0.2723
CID 78055824	0.1513	2.3475	0.0625	1.4387
CID 91895359	0.3329	1.5307	1.4615	0.6749
Cilostamide	2.1899	0.1516	1.3279	0.3306
C.I. Natural Red 20	0.0730	2.3765	0.0360	1.5145
cinchonain Ib	0.2536	1.6242	0.0735	2.0487
Cinchonain Id 7-glucoside	2.5848	0.4230	0.6916	0.3006
Cinitapride	0.8223	0.1110	3.0082	0.0585
Cinnamic acid	1.3351	0.2694	0.1218	2.2737
Cinnamic acid, 4-hydroxy-3-methoxy-, (5-hydroxy-2-hydroxymethyl-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-4-(6-methyl-3,4,5-trihydroxytetrahydropyran-2-yloxy)tetrahydropyran-3-yl) ester	0.8114	1.4541	0.0177	1.7168
Cinnamtannin D1	0.4828	1.8593	0.1527	1.5051
Cinnatriacetin A	0.1266	1.8075	0.0657	2.0003
C.I. Pigment Red 149	0.1631	2.2785	0.0386	1.5198
Ciprofibrate	0.3201	1.6628	0.5252	1.4919
Cirrhopetalanthin	0.2460	1.3469	0.9165	1.4906
Cirsiliol	1.8142	1.0048	1.0994	0.0816
Cirsimarin	2.0919	0.3055	0.8169	0.7857
cis-12-Sulfojasmonate	0.2065	2.5412	0.0400	1.2123
cis-3,4^,5-Trimethoxy-3^-hydroxystilbene	2.3118	0.2175	1.3585	0.1122
cis-3,4-Phenanthrenedihydrodiol-4-carboxylate	0.1988	1.8421	0.1705	1.7886
cis-3-Chloroallyl aldehyde	2.4319	0.1230	1.3636	0.0815
cis-3-Hexenal	1.8845	0.0307	2.0258	0.0590
cis-Aconitic acid	1.5502	1.1086	0.5891	0.7521
Cisapride	0.0944	2.6692	0.0707	1.1656
cis-Moxifloxacin acyl-beta-D-glucuronide	0.0959	3.3568	0.1006	0.4466
Citbismine A	0.0524	0.8548	0.0214	3.0714
Citbismine F	2.7479	0.0763	1.0978	0.0780
Citco	0.7864	2.3889	0.3104	0.5144
Citrate	0.8278	1.3885	1.2174	0.5663
Citric acid	1.2466	1.4606	0.5075	0.7853
Citrulline	0.8621	0.0913	2.9764	0.0701
C.I. Vat Yellow 4	0.5473	1.9003	0.0745	1.4780
CK1 Inhibitor	0.9984	0.0158	2.9714	0.0144
Cl-amidine	3.2208	0.0019	0.7624	0.0149
Cleistanthin B	1.5057	0.3106	1.1355	1.0481
Clitidine	1.4956	0.2188	2.0297	0.2558
Clobetasol	0.7484	0.0457	3.1284	0.0775
Clofarabine	1.5594	1.1517	0.4606	0.8283
Clofenoxyde	0.7147	0.2012	2.8910	0.1932
Clomazone	0.0168	1.3141	0.0132	2.6559
Clomeprop	0.5562	0.7497	1.1282	1.5658
Clomocycline	0.3408	1.4457	0.0982	2.1153
Clopidogrel	0.1220	1.8834	0.1773	1.8173
Clopidogrel Acyl-beta-D-glucuronide	2.2704	0.3014	1.0309	0.3973
Clopidol	0.0361	2.3274	0.0388	1.5977
Clopyralid	0.5668	1.4108	0.4188	1.6036
Cloquintocet-mexyl	1.3561	0.1044	2.3646	0.1749
Clozapine glucuronide	0.0885	3.7574	0.0284	0.1257
CMP-5^-3-(N-acetyl-N-hydroxy)aminopropylphosphonate	0.8574	1.6122	0.3265	1.2039
CMP-5^-phosphonoformate(3-)	1.6476	0.1765	1.9316	0.2443
CMP-8-amino-3,8-dideoxy-beta-D-manno-octulosonate	0.1860	1.2404	0.1762	2.3975
Cmp-kdn	0.1338	2.3885	0.1182	1.3596
Cmp-nana	0.0597	2.9577	0.1273	0.8553
cobalt(2+)	1.5075	0.0193	2.4494	0.0237
Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B	0.4876	0.1683	3.2428	0.1013
cobalt-factor II	0.0808	1.9022	0.0393	1.9777
cobalt-precorrin-6A	2.4963	0.1542	1.1792	0.1703
Cobyrinate	2.7472	0.0382	1.1819	0.0327
Coelenteramide	1.1526	0.1389	2.4689	0.2395
Coelenterazine	0.3444	1.6264	0.3447	1.6845
Coelenterazine disulfonate dioxetanone	1.3143	0.7803	1.2587	0.6468
coenzyme alpha-F420-3	0.0163	2.0273	0.0191	1.9373
Colchicoside	0.1870	1.2643	0.1370	2.4116
Colfenamate	1.2560	1.0505	1.0489	0.6446
Confertifoline	1.1803	0.7381	1.2141	0.8675
Congo red	0.4993	1.6516	0.1948	1.6544
Copper gluconate	0.9929	1.0898	0.9373	0.9800
Coproheme III	0.2874	1.6196	0.0305	2.0625
coproporphyrinogen III(4-)	0.1210	1.9280	0.1771	1.7739
Cordeauxione	0.2092	1.8089	0.0334	1.9485
Corilagin	1.2175	1.9901	0.0547	0.7377
Cornuside	1.3673	0.2663	1.6273	0.7391
Corymboside	1.4462	0.7550	1.0052	0.7936
Corynebactin	0.4790	2.4503	0.2876	0.7831
Cosmosiin	1.4500	0.0573	2.4514	0.0413
Cosmosiin hexaacetate	0.9043	0.4821	2.2095	0.4041
Coumafuryl	2.2504	0.0694	1.4496	0.2305
Coumarin	2.4155	0.2181	1.0157	0.3507
Coumestan base + 2O, O-Hex	0.3919	1.5985	0.5798	1.4298
Coumestrol	1.8766	0.5891	1.1696	0.3646
Crassirhizomoside B	0.3023	0.0437	3.6199	0.0341
Creatinolfosfate	2.1694	0.1662	1.5375	0.1269
Crenatoside	1.4820	0.0183	2.4796	0.0201
Crocusatin H	0.3470	0.0058	3.6178	0.0294
Cryptolepine	0.0354	2.1410	0.0164	1.8072
Cupressuflavone	0.0683	1.4251	0.0106	2.4960
Curculigine C	0.0760	2.1861	1.6974	0.0404
Curculigoside B	1.0082	2.4555	0.1976	0.3388
Curcumin	0.1471	1.9536	0.0839	1.8154
Curcumin dimer 3	0.0444	1.8928	0.0078	2.0550
Cuscuta propenamide 2	1.2030	0.0651	2.6956	0.0363
Cyananin	1.7727	0.3152	0.2759	1.6361
cyanidin 3,3^,5-tri-O-glucoside	2.0846	0.3114	1.3573	0.2467
cyanidin 3,5-di-O-beta-D-glucoside	0.3240	1.0566	0.3900	2.2293
Cyanidin 3-(6^^-malonylsophoroside)-5-glucoside	1.9017	0.4620	1.3870	0.2493
cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside	0.0502	2.0555	0.0410	1.8533
"cyanidin 3-O-(6""""-O-malyl-beta-D-glucoside)"	0.9382	0.0362	2.9680	0.0576
Cyanidin 3-O-(6-O-p-coumaroyl)glucoside	0.6530	0.0733	3.1831	0.0906
cyanidin 3-O-beta-D-caffeoylglucoside	0.0889	1.6266	0.1924	2.0921
cyanidin 3-O-beta-D-(p-coumaroyl)-sambubioside	0.0174	2.2805	0.0126	1.6894
cyanidin 3-O-glucoside-7-O-(6-O-(4-O-(glucosyl)-oxybenzoyl)-glucoside)	0.0467	0.3607	0.0367	3.5559
cyanidin 3-O-glucoside-7-O-(6-O-(p-hydroxybenzoyl)-glucoside)	0.0171	2.5029	0.0018	1.4781
Cyanidin 3-O-rutinoside	1.0346	0.6915	0.7725	1.5014
Cyanidin-3-xyloglucoside	0.0216	1.2417	0.0137	2.7231
Cyanin	2.5247	0.0936	1.3420	0.0397
Cycasin	0.3125	2.1949	0.0816	1.4110
cyclic ADP-ribose	0.8714	0.4704	2.3781	0.2800
Cyclic AMP	0.7087	1.3730	0.3267	1.5916
Cyclic di-AMP	0.5303	2.7865	0.3434	0.3398
Cyclic diguanosine monophosphate (sodium salt)	0.8986	0.2565	1.1119	1.7330
Cyclic guanosine monophosphate	0.1063	2.6613	0.5034	0.7290
Cyclo(-D-Tyr-Arg-Arg-Nal-Gly-)	1.1183	0.7643	1.3636	0.7538
Cyclo(Gly-L-Asp-L-Leu-L-Val-L-Thr-L-Tyr-L-Phe-)	0.5726	1.3583	0.5659	1.5032
Cycloheterophyllin	0.7756	0.1186	2.9883	0.1175
Cyclohexanecarboxylic acid	1.7863	1.1314	0.7190	0.3632
Cyclophosphamide monohydrate	2.5162	0.1319	1.1542	0.1977
CYCLOPIAZONIC ACID	1.6657	0.2711	1.7180	0.3452
Cyclothialidine	0.4051	2.7831	0.1076	0.7042
Cyfluthrin	0.4598	2.4634	0.3079	0.7689
Cyperaquinone	0.6777	1.3516	0.7448	1.2260
Cyproterone	0.2927	1.6657	0.2924	1.7493
Cys-Leu-Gln	0.0232	2.2468	0.0433	1.6866
Cysteinyl-glutamate	0.0123	2.0081	0.0213	1.9583
Cysteinyl-histidine	1.1250	0.3274	0.0129	2.5347
Cysteylalanine	1.7614	0.0859	2.1137	0.0390
Cysteylasparagylarginine	2.4286	0.1859	1.2746	0.1110
Cysteylglycyllysine	0.8360	0.2221	2.7164	0.2256
Cytidine	0.9485	1.2105	0.4943	1.3467
Cytidine 3^-monophosphate	0.2174	1.7401	0.1117	1.9308
Cytidine-5^-triphosphate	1.7501	0.6725	1.2343	0.3431
Cytidine, cyclic 2^,3^-(hydrogen phosphate), monosodium salt	0.9380	0.9596	0.8566	1.2458
cytosyl-4^-oxo-beta-D-glucuronate	0.1817	2.6372	0.1477	1.0334
D-4-hydroxyphenylglycine-L-seryl-L 4-hydroxyphenylglycine	0.3591	0.0543	3.4589	0.1277
Dabrafenib mesylate	1.3121	0.4997	1.6468	0.5413
Dahuribirin B	1.3522	0.1546	2.3642	0.1289
Daidzein 4^-O-glucuronide	0.6842	0.1174	2.9544	0.2440
Daidzein 4^-sulfate	0.0721	1.9787	0.0582	1.8909
Daidzin	0.0720	1.8520	0.0747	2.0013
[DAla2] beta-Casomorphin (1-6),bovine	0.1205	1.7460	0.2013	1.9322
[DAla2,(pCl)Phe3] beta-Casomorphin,amide,bovine	0.2095	1.3037	0.1270	2.3597
Dalbergin	0.2220	2.4110	0.4136	0.9534
Dalfopristin	0.3093	0.3183	2.9700	0.4024
D-Allose	1.8551	0.7499	1.0945	0.3005
D-Amygdalin	0.1411	2.2303	0.0434	1.5852
Danofloxacin	0.0262	1.8433	0.0906	2.0399
Dansyl-Tyr-Val-Gly	0.1323	2.1980	0.1163	1.5534
Dantaxusin D	2.4239	0.6276	0.5264	0.4221
Dantrolene	0.0134	1.8744	0.0255	2.0868
Daphneticin	2.2639	0.0512	1.6541	0.0308
Daphnetin	1.5400	0.0013	2.4563	0.0023
Daphnoretin	0.2721	2.4262	0.1836	1.1181
Dapsone hydroxylamine	2.3816	0.5001	0.7919	0.3263
D-Arabinose-5-phosphate	0.7404	0.5804	1.9171	0.7621
Darifenacin hydrobromide	0.0421	1.3375	0.0413	2.5791
Dasabuvir	0.0709	2.0444	0.0859	1.7988
Dasatinib monohydrate	0.0217	1.7696	0.0098	2.1990
Dattelic acid	2.1694	0.5477	0.6642	0.6188
Daunorubicin hydrochloride	2.3883	0.3622	0.8555	0.3940
Davercin	0.2148	1.7124	0.1778	1.8950
Davisioside	0.0530	2.4813	0.0263	1.4393
D-Carnitinyl-CoA	0.1010	2.3361	0.0714	1.4916
D-cycloserine(1+)	0.6147	0.0441	3.2917	0.0495
D-Cysteine	0.0140	2.0611	0.0021	1.9228
Ddhads	0.2023	2.3469	0.0856	1.3652
deacetoxycephalosporin C(1-)	1.0317	0.2851	2.5454	0.1378
Decernotinib	2.0559	0.9577	0.4275	0.5590
deferrioxamine G	1.0557	0.7835	1.1188	1.0420
Degalloyltheaflavonin	0.9935	1.4668	0.5531	0.9866
Deglucoderhamnoparillin	2.8368	0.1064	0.9738	0.0830
Deglucoparillin	1.2677	0.0414	2.6242	0.0667
Dehydroabietic acid	1.0681	0.6681	1.3153	0.9486
Dehydrodiferulic dilactone	0.0456	2.5387	0.0081	1.4076
Dehydrorabelomycin	2.2908	0.7420	0.5655	0.4017
Dehydroxymethylflazine	0.1061	2.3131	0.0513	1.5295
Delamanid	1.0912	0.9221	0.3283	1.6585
Delavirdine mesylate	1.2963	0.2178	2.2768	0.2090
Delphinidin 3,5-di(6-O-malonylglucoside)	1.8640	0.0349	2.0461	0.0550
Delphinidin 3,5-diglucoside	0.1840	2.0458	0.0678	1.7025
"delphinidin 3-O-[2""""-O-(xylosyl)] glucoside"	1.3864	0.3457	1.5107	0.7572
Delphinidin 3-O-3^^,6^^-O-dimalonylglucoside	1.7117	1.6889	0.4141	0.1854
delphinidin 3-O-(6^^-O-malonyl)-beta-glucoside	0.1221	3.3272	0.1393	0.4114
"delphinidin 3-O-(6""""-O-malyl-beta-D-glucoside)"	1.0931	0.7874	0.9887	1.1309
Delphinidin 3-O-beta-D-sambubioside	0.5466	1.7582	0.5380	1.1572
Delta (Phospho) Sleep Inducing Peptide	2.2158	0.1157	1.4720	0.1965
Deltarasin	2.1060	0.1484	1.5956	0.1499
Demethoxycurcumin	1.1425	0.0067	2.8401	0.0107
Demethylalangiside	0.6282	1.3403	0.9177	1.1138
Demethyl-desacetyl-rifamycin SV	1.0702	0.0866	2.8087	0.0345
Demethyl medicarpin	1.7200	0.2701	1.7806	0.2292
Demethylnobiletin	3.0695	0.2178	0.5784	0.1344
Demethylwedelolactone	1.4192	0.2098	2.2334	0.1377
Demoxepam	1.0956	1.1591	0.4399	1.3055
De-O-methylsimmondsin	1.4693	0.6481	1.6477	0.2349
Deoxybrevianamide E	0.7851	0.1395	2.7088	0.3666
Deoxycalyxin A 3^-hydroperoxide	1.5960	0.1644	2.1090	0.1307
Deoxyrubroskyrin	0.0613	2.1914	0.0167	1.7305
Derenofylline	0.6745	1.3408	0.7332	1.2515
Derricidin	0.1866	0.2837	3.3052	0.2245
D-erythro-D-galacto-Octitol	1.3174	0.1073	2.3325	0.2427
D-erythro-Imidazoleglycerol Phosphate Monohydrate	1.9219	0.6783	0.5975	0.8023
D-Erythrose	1.5917	0.0949	2.2352	0.0782
DES(2-oxo-tetrahydropyrimidinyl)-2-oxo-4-hydroxy-tetrahydropyrimidinyl lopinavir	1.3434	0.0653	2.5288	0.0626
Desbutyllumefantrine	0.1644	0.8992	0.3584	2.5780
Deserpidine	0.9863	1.0463	1.1893	0.7781
Desethylamiodarone hydrochloride	0.1491	2.0571	0.0519	1.7419
Desmethylalborixin	0.0449	1.8173	0.1266	2.0111
Desmethyldescarbamoylnovobiocin(1-)	0.0774	0.0401	2.7444	1.1381
Desmethylsertraline	0.5090	1.2913	0.2391	1.9606
Desoximetasone	1.7109	0.0485	2.0309	0.2097
Dethiosecoemestrin	0.3596	1.2019	0.6303	1.8081
Dexamethasone acetate	1.7395	0.0138	2.2327	0.0141
Dexamethasone phosphate	0.0655	2.4370	0.1115	1.3861
Dexamethazone metasulfobenzoate sodium	0.0253	2.8059	0.0385	1.1303
D-fructofuranose 1-phosphate	0.1892	1.7216	0.0869	2.0023
D-Fructose 6-Phosphate-Disodium Salt	1.0598	1.6147	0.5789	0.7466
DG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	1.0576	0.1964	0.1593	2.5867
DG(18:2(9Z,12Z)/14:1(9Z)/0:0)	0.8586	1.1851	0.5355	1.4208
DG(22:2(13Z,16Z)/24:1(15Z)/0:0)	2.7714	0.1988	0.7584	0.2714
DG(22:4(7Z,10Z,13Z,16Z)/24:0/0:0)	0.1455	1.9833	0.0942	1.7770
D-Galactose	0.6577	1.3519	0.5107	1.4796
D-Glucose 1,6-bisphosphate	1.6736	0.3610	1.6703	0.2951
D-Glycero-D-gulo-heptose	0.0953	2.4701	0.4652	0.9694
Diacerein	0.0515	2.5255	0.0542	1.3688
Diacetyldideisovaleryl-rhodomyrtoxin	0.7783	1.9982	0.5886	0.6349
Diadenosine diphosphate	0.0221	1.4929	0.0153	2.4698
Diadenosine tetraphosphate	0.0509	2.5505	0.0560	1.3426
Diallyl disulfide	1.1343	0.6245	1.8212	0.4200
Diamidafos	1.3767	0.0283	2.5551	0.0400
Dianhydroaurasperone C	0.1788	1.7161	0.0692	2.0359
Diazinon	1.2471	0.3607	2.1797	0.2125
Dibenz(b,f)(1,4)oxazepine-10(11H)-carboxylic acid, 8-chloro-, 2-(1-oxo-3-(4-pyridinyl)propyl)hydrazide, monohydrochloride	0.1213	1.8410	0.1013	1.9365
Dibenzothiophene	0.0339	2.4337	0.1418	1.3906
Dibenzyl disulfide	0.8116	1.2994	0.7343	1.1547
Dibenzyl ether	0.2938	0.1134	3.4568	0.1360
Dichamanetin	0.2103	0.8725	0.6174	2.2997
Dichlorophen	0.0015	2.1605	0.0014	1.8365
Dichlorphenamide	2.1345	0.1247	1.5470	0.1937
Dichlorprop	0.9823	1.0381	1.0729	0.9067
Dichlorprop-P	0.8171	1.1103	0.9013	1.1712
Diclosulam	1.9068	0.2827	1.7882	0.0222
Dictamnoside N	1.0720	0.0302	2.8466	0.0512
Dicumarol	2.1029	0.7357	0.7083	0.4532
Dicyclopentadiene	2.6280	0.2275	0.5918	0.5527
Diderroside	0.7709	0.2118	2.8769	0.1404
Dienestrol diacetate	0.0819	1.9791	0.0166	1.9224
Diethyl (4-Fluorobenzyl)phosphonate	0.0521	1.9655	0.0386	1.9439
Difethialone	1.5094	0.1319	2.2709	0.0878
Diffractaic acid	1.6977	0.1445	2.0542	0.1036
Diflorasone diacetate	2.3263	0.1501	0.5884	0.9352
Difloxacin	0.3106	1.7023	0.2071	1.7799
Diflubenzuron	0.7843	1.8781	0.1930	1.1447
Diflunisal	0.0260	1.9810	0.0100	1.9831
Difluprednate	2.6344	0.1231	1.1438	0.0987
Digallic acid	0.6431	0.6253	1.1164	1.6152
Diguanosine-5^-triphosphate	2.2572	0.2980	1.2317	0.2131
Dihexylphosphinic acid	0.2290	1.1221	0.5664	2.0825
Dihydralazine sulfate	1.5554	0.3985	1.5650	0.4811
Dihydroartemisinin	1.6446	0.2093	1.9755	0.1706
Dihydrocapsaicin	0.4747	0.1078	3.1797	0.2378
"Dihydrocephalomannine, 2"""",3""""-(P)"	1.6171	0.2140	2.0586	0.1103
Dihydrodaidzin	1.5720	0.0639	1.8224	0.5417
Dihydrodigoxin	2.3499	0.2338	1.3625	0.0538
Dihydroergotamine mesylate	0.8372	1.9767	0.3894	0.7968
Dihydro-heme d1	3.0048	0.0754	0.2894	0.6304
Dihydroisomorphine-3-glucuronide	0.2469	1.7294	0.1098	1.9138
Dihydrokaempferol	1.1965	0.3614	1.3884	1.0538
Dihydromacarpine	2.8843	0.3002	0.1708	0.6447
Dihydromorelloflavone	0.0649	1.7806	0.0858	2.0688
Dihydromyricetin	1.5577	0.5183	1.3906	0.5333
Dihydrophaseic acid	2.3569	0.1948	1.2917	0.1566
Dihydroprudomenin	0.3016	1.0788	0.0856	2.5340
Dihydroroseoside	1.1249	0.0874	2.7411	0.0466
Dihydrorotenone	0.4006	0.7356	2.2848	0.5790
Dimethoxycurcumin	0.0396	1.2788	0.0382	2.6434
Dimethyl 4-(3-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate	0.2438	2.1180	0.0496	1.5886
Dimethyl azelate	0.9424	0.3598	2.4104	0.2873
Dimethylenetriurea	1.7602	0.0881	2.0651	0.0866
Dimethyl sulfide	0.9137	0.9860	1.1162	0.9841
Dimoxystrobin	0.9017	2.0067	0.1559	0.9358
Dim-tolyl p-tolyl phosphate	0.3661	0.0017	3.6201	0.0120
Dinitolmide	1.0740	1.2108	0.6114	1.1038
Dinobuton	0.1733	1.4167	0.0932	2.3168
Dinoprost	0.9171	0.2085	2.0947	0.7797
Dinoseb	0.7160	0.6113	1.8546	0.8180
D-Inositol 1,4-diphosphate	0.9988	0.4149	2.2919	0.2945
Diosbulbinoside F	0.0320	0.3682	0.0366	3.5631
Diosmetin	1.8593	0.8867	0.5127	0.7413
Diospyrin	1.0303	2.3959	0.3218	0.2520
Dioxathion	0.0442	1.8712	0.0139	2.0707
Dioxinoacrimarine A	1.4299	0.5565	1.4346	0.5790
Dioxinodehydroeckol	2.3977	0.2607	0.9649	0.3767
Dioxybenzone	1.5930	0.1466	1.7410	0.5194
Diphenyl-1-pyrenylphosphine	2.9582	0.1111	0.8266	0.1041
Diphenylmercury	0.8815	1.9194	0.7742	0.4250
Diphenylmethanol	2.0341	0.4180	0.9949	0.5531
Diphyllin	0.0353	1.9093	0.0191	2.0363
Diphyllin apioside	1.8680	0.3206	1.2930	0.5184
Diprogulic Acid	0.2821	2.9060	0.0250	0.7869
Disinomenine	0.6487	1.5612	0.0624	1.7277
Disodium succinate	0.5169	1.2650	0.4478	1.7704
Disulfide, bis(4-methyl-2-nitrophenyl)	2.1977	0.0194	0.1245	1.6583
Dithieno[3,2-b:2^,3^-d]thiophene	0.7610	0.1095	2.9422	0.1872
Di-trans,poly-cis-hexaprenyl diphosphate	0.6353	0.1655	2.8057	0.3936
Divalproex sodium	0.9637	0.9146	1.4015	0.7201
DL-2-(2,4-Dinitroanilino)-4-(methylsulphinyl)butyric acid	1.7258	0.2377	1.9831	0.0534
DL-Aspartic acid	1.3604	0.5296	1.6869	0.4231
DL-Carbidopa	1.7719	0.2868	1.5299	0.4115
DL-Citrulline	0.0320	2.6030	0.1265	1.2385
DL-Glutamate	0.3344	1.5913	0.8311	1.2432
DL-Glutamine	0.2290	2.8296	0.1733	0.7681
dl-O-Phosphoserine	0.1692	2.4794	0.0960	1.2554
DL-Ornithine	0.0244	2.7433	0.0129	1.2194
D-Malic acid	1.6079	0.4838	1.5225	0.3858
D-Mannose	0.8677	1.1035	0.9212	1.1077
D-Mannose 1-phosphate	0.6999	0.8628	1.2032	1.2341
D-Myo-inositol-2,4,5-triphosphate	0.8546	0.8842	1.3805	0.8806
D-myo-Inositol-4-phosphate (ammonium salt)	1.1412	1.1463	0.8945	0.8179
D-(+)-Neopterin	0.7401	0.7720	1.7833	0.7046
Docosa-4,7,10,13,16-pentaenoyl carnitine	0.7608	0.2320	2.7771	0.2302
Docosahexaenoic Acid-d5	1.1389	0.5466	1.2319	1.0826
Docusate	1.3637	0.3196	2.2017	0.1151
Dodecamethylcyclohexasiloxane	1.6721	0.5480	0.0695	1.7104
Dodecaprenyl diphosphate	1.0125	0.5557	1.6668	0.7650
DOPA sulfate	0.8959	0.1514	2.8933	0.0594
Dorzolamide hydrochloride	0.2400	2.2596	0.0786	1.4217
Doxazosin mesylate	0.4620	1.4420	0.4238	1.6723
Doxefazepam	1.5756	0.4695	1.6562	0.2986
Doxycycline	0.6440	1.9998	0.6268	0.7294
(D-Pen2,D-Pen5)-Enkephalin	0.0348	3.7287	0.0288	0.2077
D-phenylalanine	0.4684	1.1501	0.5449	1.8366
D-Pinitol	1.1880	0.3184	0.0893	2.4042
D-Quinovose	0.9771	0.1902	2.4778	0.3549
D-ribofuranose 5-phosphate	0.2665	2.0004	0.1933	1.5398
D-Ribulose 1,5-bisphosphate	0.0128	1.6985	0.0218	2.2668
D-Ribulose 5-phosphate	2.1307	0.0970	1.6909	0.0814
D-Saccharic Acid 1,4-lactone (hydrate)	0.0159	2.4085	0.0417	1.5338
D-Sorbitol-6-phosphate	0.5995	1.7723	0.3755	1.2527
D-Tagatose	1.6825	0.6837	1.1860	0.4478
dTDP-(2R,4S,6S)-4-amino-2,4-dimethyloxan-3-one	3.2269	0.1516	0.1169	0.5047
dTDP-3,4-didehydro-2,6-dideoxy-alpha-D-glucose	3.3875	0.0397	0.5139	0.0589
dTDP-3-amino-2,3,6-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose	1.5854	0.4171	1.8791	0.1184
dTDP-3-amino-4-dehydro-2,3,6-trideoxy-alpha-D-glucose	0.0709	2.3072	0.0357	1.5862
dTDP-3-N,N-dimethylamino-4-keto-2,3,6-trideoxy-L-allose	2.7557	0.1816	0.9388	0.1239
dTDP-3-N,N-dimethylamino-4-oxo-2,3,6-trideoxy-beta-L-allose	0.0834	1.7819	0.0567	2.0780
dTDP-3-N,N-dimethylamino-4-oxo-2,3,6-trideoxy-D-glucose	0.7462	1.9664	0.4191	0.8683
dTDP-3-O-methyl-4-oxo-2,6-dideoxy-L-mannose	1.1637	0.9760	1.1085	0.7518
dTDP-3-oxo-4,6-dideoxy-D-glucose;dTDP-3-oxo-4,6-dideoxy-alpha-D-glucose;dTDP-3-dehydro-4,6-dideoxy-alpha-D-glucopyranose	0.8545	0.1139	2.9262	0.1054
dTDP-4-acetamido-4,6-dideoxy-alpha-D-glucose	0.2531	2.7008	0.1301	0.9160
dTDP-4-acetyl-alpha-D-ravidosamine	1.2265	0.5704	1.6665	0.5366
dTDP-4-amino-4,6-dideoxy-5-C-methyl-L-mannose	0.3325	1.8921	0.1544	1.6210
dTDP-4-dehydro-2,3,6-trideoxy-alpha-D-glucose(2-)	2.6527	0.2765	0.9465	0.1243
dTDP-4-dehydro-3-methyl-2,6-dideoxy-beta-L-glucose	2.0816	0.1032	1.7101	0.1052
dTDP-4-dehydro-6-deoxy-alpha-D-glucose	0.0447	1.9305	0.0244	2.0004
dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-glucose	0.3756	1.9442	0.2733	1.4069
dTDP-5,5-di-C-methyl-beta-L-lyxose	0.8731	1.4725	0.1445	1.5099
dTDP-acarviose-7-phosphate	1.1504	0.5236	1.6158	0.7103
dTDP-alpha-D-forosamine(1-)	1.5749	0.0469	2.0771	0.3012
dTDP-alpha-D-mycaminose(1-)	1.3113	0.1832	2.3688	0.1367
dTDP-beta-L-4-epi-vancosamine	1.0060	1.0058	1.0382	0.9500
dTDP-beta-L-evernosamine	0.5002	1.8525	0.4817	1.1657
dTDP-D-galacturonate	2.6377	0.4527	0.6045	0.3051
dTDP-L-ristosamine	1.0745	1.0620	0.4096	1.4538
[DThr2] Leu-Enkephalin-Thr	1.2847	0.4125	1.7880	0.5149
Dulxanthone E	0.7334	1.5795	0.8174	0.8697
Dulxanthone F	0.0309	2.9699	0.0131	0.9861
Dutasteride	0.3653	1.5813	0.1545	1.8989
D-Xylulose 5-phosphate	0.0940	1.5977	0.0397	2.2687
Dye X-16768-260-Ba	0.3633	3.0752	0.1249	0.4367
Dye X-17945-212	2.3130	0.4351	0.6852	0.5666
Dynemicin A	0.3265	1.8800	0.1074	1.6861
Dynorphin A (13-17),porcine	2.1020	0.1373	1.6547	0.1060
(E)-1-Propenyl sec-butyl disulfide	0.3248	0.0730	3.5197	0.0824
E3040 sulfate	2.2987	0.0755	1.4808	0.1450
(E)-3-(4-sulfooxyphenyl)prop-2-enoic acid	0.7243	0.8233	1.6375	0.8149
(E)-3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylic acid	0.5798	1.3534	0.3701	1.6967
[(E)-4-[2-(2,4-dihydroxyphenyl)-3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-4-oxochromen-6-yl]-2-methylbut-2-enyl] hydrogen sulate	1.5866	0.1071	2.2105	0.0958
[(E)-[4-hydroxy-1-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]sulfanylbutylidene]amino] sulfate	0.1842	2.8049	0.2182	0.7928
(E)-4-methyl-N-[(3S,4S,7S,10Z)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pent-2-enamide	1.0992	0.6029	1.7338	0.5642
(E,9E)-14-bromo-9-(chloromethylidene)-N-[(E)-3-methoxy-5-[(2S)-2-methyl-5-oxo-2H-pyrrol-1-yl]-5-oxopent-3-enyl]-6-methyltetradec-4-en-13-ynamide	0.0233	2.0172	0.0688	1.8908
(E)-Antibiotic BE 23372M	1.5649	0.1371	1.9878	0.3102
Echinacoside	1.5675	0.6127	1.4632	0.3566
Edetic acid	1.0239	0.1650	2.7292	0.0820
Edoxaban tosylate monohydrate	0.3019	0.2961	1.1897	2.2124
Edoxudine	0.9643	2.4660	0.1725	0.3972
Edulone A	0.7825	2.1607	0.2012	0.8556
Edultin	1.1986	1.0858	0.9325	0.7831
(E)-Ethyl 3-(4-hydroxyphenyl)acrylate	0.7820	1.5175	0.2511	1.4494
Efavirenz	0.0184	2.1025	0.0922	1.7869
Egonol gentiobioside	0.0078	1.0551	0.0059	2.9312
Egtazic acid	0.1388	1.2883	0.0374	2.5355
Eledoisin Related Peptide	0.9649	1.3815	0.1248	1.5288
Eleganin	2.1685	0.2301	0.2993	1.3021
Elephantoin	0.3170	1.5005	1.1061	1.0764
Eleutheroside E	1.8121	0.1052	2.0345	0.0481
Elloramycin	0.2523	1.7797	0.1393	1.8288
Embelin	1.0842	0.4944	1.4734	0.9480
Emeriamine	0.5345	1.2666	0.7972	1.4017
Emodic acid	0.3532	1.8867	0.1255	1.6345
Emodin-8-glucoside	0.8044	1.0692	0.7920	1.3344
Emodin anthrone	1.0261	1.0806	1.2685	0.6249
(E)-N-[(2S,3R,4R,5R)-2-[(3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-14-methylpentadec-2-enamide	1.4976	0.2916	2.1108	0.0999
Enalapril	0.8307	0.0234	3.1348	0.0112
Enasidenib	3.5300	0.1078	0.2167	0.1456
Enobosarm	1.1215	0.0664	2.7458	0.0663
Enoxacin Sesquihydrate	0.9564	1.4233	1.0580	0.5623
Enrofloxacin	0.7879	1.8467	0.5365	0.8289
Ensulizole	1.9755	0.0490	1.9033	0.0722
ent-Epicatechin-(4alpha->8)-ent-epicatechin 3^-gallate	0.3898	2.5768	0.0926	0.9409
Enterocin 900	0.1785	2.5576	0.1311	1.1327
ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol	0.7923	0.0016	3.1803	0.0258
Epalrestat	3.0724	0.4626	0.2121	0.2529
Ephedrannin A	0.0605	2.2359	0.0821	1.6215
Epiafzelechin-(4b->8)-epicatechin 3,3^-digallate	0.0457	1.9896	0.0165	1.9483
Epiandrosterone sulfate	2.3100	0.0955	1.4992	0.0953
(-)-Epicatechin	0.1669	2.2297	0.0305	1.5728
Epicatechin-(4beta->8)-gallocatechin	0.1025	2.4893	0.1451	1.2631
Epicatechin(4b->8)epigallocatechin 3-O-gallate	0.0483	1.4307	0.0438	2.4772
Epifisetinidol-(4beta->8)-epicatechin-(6->4beta)-epifisetinidol	1.5267	0.0488	2.3836	0.0410
Epigallocatechin 3,3^,-di-O-gallate	1.2234	0.0730	2.6243	0.0793
Epigallocatechin 3,5-digallate	0.0760	2.1661	0.0370	1.7209
"(-)-Epigallocatechin 3-gallate 7-glucoside 4""""-glucuronide"	0.4194	0.5155	0.7544	2.3107
Epigallocatechin-3^-glucuronide	3.2347	0.2212	0.4256	0.1184
Epigallocatechin 3-O-(3-O-methyl)gallate	0.0736	2.4108	0.0350	1.4806
Epigallocatechin 3-O-cinnamate	2.2889	0.6561	0.8336	0.2214
Epigallocatechin-(4beta->8)-catechin	2.2585	0.3986	1.1037	0.2393
Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester	0.0284	1.9998	0.0070	1.9648
Epigallocatechin-7-glucuronide	0.1355	1.7785	0.1355	1.9505
Epinephrine glucuronide	0.8667	2.0069	0.7233	0.4031
(+)-Epitaxifolin	1.4408	0.4802	1.5135	0.5655
Epithienamycin A	1.2872	0.3366	1.9820	0.3942
Epoxiconazole	0.6958	2.2186	0.0701	1.0155
Epoxideoxycorticosterone acetate	1.2558	0.4103	1.1421	1.1918
Epoxyoleic acid	1.4902	0.2399	2.0338	0.2362
Eprosartan	0.0182	2.8760	0.0299	1.0759
Eprosartan mesylate	0.1222	1.6476	0.1399	2.0902
Eprotirome	0.8896	1.0577	0.7874	1.2653
Epsilon-pyrromycinone	0.6842	0.4909	2.5906	0.2343
Ergocornine	0.9560	0.4899	2.0822	0.4718
Ergocristine	0.3500	0.2048	3.2487	0.1964
Erinacine D	0.4626	0.1849	3.2256	0.1269
Eriocitrin	2.5759	0.0240	1.3782	0.0219
Eriodictiol-7-glucoside	0.3091	2.3141	0.2889	1.0879
Eriodictyol-6,8-di-C-glucoside-4^-O-glucoside	1.1420	0.5958	1.0154	1.2468
Eriodictyol 7-(6-galloylglucoside)	0.0416	1.8652	0.0187	2.0745
Eriodictyol 7-glucuronide	1.1449	0.1842	2.6023	0.0687
Eriodictyol 7-O-glucoside	3.3883	0.1034	0.0957	0.4126
Erionyl Yellow AR	0.0734	0.1794	0.0760	3.6713
Ertapenem	0.6549	0.7479	2.0165	0.5808
Ertapenem sodium	0.1044	0.0340	3.8159	0.0457
Erybraedin A	2.0638	0.1230	1.5840	0.2292
Erythorbic acid	0.7848	1.3146	0.7122	1.1883
Erythritol	0.8661	1.3186	0.8942	0.9211
(±)-erythro-Isoleucine	0.3300	1.7617	0.0995	1.8088
Eryvarinol A	0.1491	1.1737	0.0656	2.6116
Esmeraldin B	3.1842	0.0916	0.6245	0.0997
Estra-1,3,5(10),16-tetraen-3-ol benzoate	0.4801	0.1333	3.0209	0.3657
Estradiol-17 3-sulfate	1.7672	0.5931	0.9540	0.6858
Estradiol 3,17-disulfate	1.8788	0.0291	2.0916	0.0005
Estradiol propionate	0.2401	1.5976	0.2852	1.8771
Estramustine phosphate sodium	0.2683	0.9400	0.2207	2.5710
Etamiphylline	1.9040	0.1674	1.6017	0.3269
Ethanone, 1,1^,1^^,1^^^-(hexahydro-5,2,6-(iminomethenimino)-1H-imidazo(4,5-b)pyrazine-1,3,8,10(2H)-tetrayl)tetrakis-	0.7289	0.9813	0.9999	1.2899
Ethephon	0.0859	2.3784	0.0244	1.5113
Ethidium	0.0056	1.8768	0.0407	2.0769
Ethinylestradiol-3-sulfate	1.7062	0.0955	1.9828	0.2154
ETH-NAD-imine adduct	0.0481	1.9441	0.0096	1.9982
Ethyl 1,6-dimethyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate	0.1538	2.5235	0.0497	1.2730
Ethyl 1-naphthaleneacetate	2.0073	1.3211	0.4815	0.1901
Ethyl 2,4-dihydroxy-3-((3,4,5-trihydroxybenzoyl)oxy)-benzoate	0.5136	1.3245	0.9431	1.2188
Ethyl 2,4-dihydroxy-3,6-dimethylbenzoate	2.2913	0.7535	0.1757	0.7796
Ethyl 2-amino-4-(4-isopropylphenyl)thiophene-3-carboxylate	1.2914	0.1860	2.2768	0.2458
Ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate	0.1765	2.1061	1.2984	0.4190
Ethyl 4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxylate	0.1464	0.7446	0.1561	2.9530
Ethyl 4-(benzoylcarbamothioylamino)benzoate	1.0408	1.5058	0.5315	0.9219
Ethyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate	2.4203	0.3669	0.2905	0.9222
Ethyl 6,7-dichloro-3-hydroxyquinoxaline-2-carboxylate	0.0750	2.4355	0.0681	1.4213
Ethyl loflazepate	0.0454	2.1174	0.1062	1.7310
Ethylmalonic acid	2.3530	0.4444	0.8448	0.3578
Ethyl methanesulfonate	2.0455	0.0798	1.7843	0.0904
Ethyl salicylate	1.1617	1.9067	0.1226	0.8090
Ethyl sulfate	1.2757	0.6509	0.4683	1.6051
Etiocholanolone sulfate	1.3246	0.4459	1.4773	0.7523
Etobenzanid	0.1001	1.6970	0.0018	2.2011
Etofenamate	1.4686	0.0277	2.4773	0.0264
Etoglucid	1.5720	0.1194	2.0365	0.2721
Etoposide	0.0274	2.4242	0.0153	1.5331
Etoposide D-glucuronide	1.3926	0.7192	1.0095	0.8787
Eudesmic acid	1.2896	0.0019	2.7068	0.0016
Eudistomin N	0.0120	2.1814	0.0049	1.8016
Eujambin	0.1040	0.6829	0.0864	3.1267
Eujambolin	1.1665	0.1349	2.5051	0.1935
Eupachloroxin	0.0051	2.2384	0.0191	1.7374
Eupatin	0.2177	0.0065	3.7617	0.0141
Eur 2	0.2926	1.4555	0.2454	2.0065
Euxanthone	0.0343	1.7966	0.0145	2.1545
Evodol	1.6479	0.9064	0.8918	0.5539
Extracellular Death Factor	1.9878	0.0907	1.8441	0.0774
F-Amidine (trifluoroacetate salt)	0.2495	0.2300	0.1140	3.4066
Farnesyl triphosphate	2.6963	0.2157	0.8237	0.2643
FD And C Green No. 1	0.3650	0.0699	3.4613	0.1038
FD And C Yellow No. 5 free acid	2.4219	0.2306	1.1795	0.1680
Felodipine	1.1601	0.3033	1.6215	0.9151
Fenamiphos sulfone	0.8568	0.3114	2.5378	0.2941
Fenarimol	2.0855	0.8944	0.5022	0.5178
Fenoldopam	1.5699	0.0406	2.3474	0.0422
Fenoprofen	0.0634	1.7199	0.0370	2.1797
Ferreirin	0.0274	1.0782	0.1070	2.7874
Ferulic acid	2.0707	0.1016	1.7475	0.0803
Ferulic acid 4-sulfate	2.6511	0.2790	0.8904	0.1795
Feruloylagmatine	0.9499	1.9478	0.1887	0.9136
Feruloylamaranthin	0.0660	0.8583	0.0131	3.0625
FFA(12:0)	1.0513	0.6373	1.4913	0.8200
FFA(14:0)	1.1284	0.4632	1.6861	0.7224
FFA(16:1)	1.0603	0.4418	1.7128	0.7851
FFA(18:0)	1.0418	0.7261	1.1992	1.0329
FFA(18:1)	0.9783	1.0602	0.8821	1.0793
FFA(18:2)	0.9791	1.0622	0.8845	1.0742
(-)-Filiformin	1.9295	0.4232	1.1819	0.4653
Filiforminol	0.4035	1.2231	0.4894	1.8840
Filixic acid BBB	0.3953	2.2614	0.1256	1.2178
Firefly luciferin	0.9221	1.0953	1.0417	0.9408
Fisetin	0.8258	1.6395	0.2823	1.2524
Fisetinidol	1.9945	0.9787	0.4686	0.5582
Fisetinidol-4beta-ol	0.1364	1.8369	0.0328	1.9939
Flavidulol C	1.4742	0.0559	2.4258	0.0442
Flavin Single Nucleotide(FMN)	0.3864	1.8770	0.1940	1.5426
Flavone base + 3O, O-HexA-FeruloylHexA	3.1256	0.3251	0.1853	0.3641
Flazasulfuron	2.8212	0.1189	0.8952	0.1648
Flecainide	2.1634	0.1510	1.6048	0.0808
Flocoumafen	0.1903	1.9562	0.0219	1.8315
Floribundoside	0.0791	1.0575	2.6368	0.2266
Floxuridine	1.0932	0.6331	1.0157	1.2580
Fluazifop	2.5755	0.2091	1.0416	0.1738
Flubendiamide	1.7658	0.4161	1.4585	0.3596
Flucarbazone	3.2909	0.1122	0.3265	0.2704
Flucarbazone-sodium	1.7201	0.2857	1.7808	0.2133
Fludiazepam	1.6081	1.2854	0.2183	0.8882
Flufenamic acid	0.3877	0.4230	0.1894	2.9999
Flufenprox	0.2459	1.6910	0.2520	1.8111
Flumequine	0.7031	0.9648	1.0566	1.2755
Flumethasone	0.2494	1.7482	0.0678	1.9346
Flumioxazin	1.1615	1.2570	0.2664	1.3151
Flumipropyn	0.2466	1.9602	0.1351	1.6581
Flunixin	0.4028	1.7384	0.3904	1.4683
Flunixin meglumine	1.1906	0.1921	2.4469	0.1704
Fluocinonide	1.1023	0.1162	2.3121	0.4694
Fluometuron	0.7258	1.3212	0.5053	1.4476
Fluorescein	0.5201	0.6232	2.1672	0.6896
Fluorodifen	0.0147	2.4386	0.0011	1.5457
Fluperamide	0.1388	0.1703	3.5531	0.1378
Fluperlapine	1.4714	0.3079	2.1006	0.1202
Fluprostenol methyl amide	0.1387	1.3333	0.2984	2.2296
Flupyrsulfuron-methyl sodium	0.1029	1.9138	0.0320	1.9514
Fluralaner	1.5450	0.0939	2.1339	0.2272
Fluroxypyr-meptyl	2.3104	0.5590	1.0845	0.0461
Flurprimidol	0.2377	1.3262	0.4504	1.9857
Fluspirilene	0.4946	3.3029	0.1176	0.0849
Fluticasone furoate	0.6907	1.1350	0.3904	1.7840
Fluvoxamine maleate	1.1543	1.9531	0.0807	0.8119
Fluzoparib	0.1116	2.5312	0.0514	1.3058
Fonsecinone B	0.0331	3.1003	0.0291	0.8375
Food Green S	0.0250	2.6415	0.0471	1.2863
Formononetin 7-(2-p-hydroxybenzoylglucoside)	0.0517	2.2413	0.0631	1.6439
Formononetin 7-O-glucoside-6^^-O-malonate	2.5366	0.6349	0.5234	0.3051
Formononetin 7-O-glucuronide	2.5147	0.0684	0.9324	0.4846
Formosanatin D	0.0420	2.5435	0.0148	1.3997
Forskolin	1.2173	0.1814	1.7974	0.8039
Fosfestrol	1.9429	0.2390	1.2336	0.5844
Fosfomycin sodium	0.0201	1.4802	0.0470	2.4526
Fosphenytoin	2.0240	0.0864	1.7921	0.0975
Fospropofol disodium	2.1736	1.4378	0.2569	0.1317
Fosthiazate	0.0353	2.4264	0.0423	1.4960
Fostriecin	0.0230	2.1129	0.0202	1.8439
FR 122047 hydrochloride	1.3831	0.7239	1.1877	0.7053
Fragilide J	1.2459	0.9449	0.5729	1.2363
Fuc1-2Gal1-4GlcNAcSp	1.3112	0.7138	1.4909	0.4841
Fucoxanthin	0.8677	1.5410	0.7128	0.8785
Fumagillol	1.0867	0.4496	1.6697	0.7940
Furan-2,5-dicarbaldehyde	0.1419	2.0437	0.0417	1.7728
Furmecyclox	1.4144	0.5859	1.5862	0.4136
Fursultiamine hydrochloride	0.6366	2.1798	0.5214	0.6622
Fusaroskyrin	1.3286	0.2772	0.0626	2.3315
Fusidic acid	0.9329	0.9934	1.2433	0.8304
Fustin	1.7279	0.1126	1.8925	0.2670
Gadodiamide	1.4677	0.0611	2.4233	0.0479
Gadoversetamide	1.3533	1.0498	0.2171	1.3797
Gadoxetate Disodium	1.4091	0.0379	2.3900	0.1630
Gal1-3[Fuc1-4]GlcNAcSp	1.1984	0.6805	1.3904	0.7307
Gal1-4[Fuc1-3]GlcNAcSp	0.0861	2.4191	0.1010	1.3938
Gal4Me(b1-4)Gal(b)-O-Me	1.3526	0.2747	1.7011	0.6716
Galactaric acid	2.0421	0.1980	1.4737	0.2862
Galactinol	0.0146	2.2643	0.0176	1.7036
Galactonic acid	1.9248	0.5801	0.9939	0.5012
Galactose-uridine-5^-diphosphate	1.4807	0.5097	1.2575	0.7521
Galactosylglycerol	1.3194	0.1828	0.0751	2.4226
Galangin	0.2714	0.2537	0.0997	3.3752
Gallagic acid	0.0517	1.8582	0.0337	2.0564
Gallic acid	0.1815	1.9139	0.0696	1.8350
[Gallocatechin-(4alpha->8)]2-catechin	0.0546	0.6596	0.0036	3.2822
Gallocatechin-(4alpha->8)-catechin-(4alpha->8)-catechin	3.0891	0.0702	0.7786	0.0621
Gallocatechin-(4alpha->8)-epicatechin	1.1573	0.0054	2.8302	0.0071
Gallocatechin-(4alpha->8)-epigallocatechin	0.5231	1.5541	0.3265	1.5963
Gallocatechin-(4alpha->8)-gallocatechin-(4alpha->8)-gallocatechin	1.9554	0.1216	0.0933	1.8297
(-)-Gallocatechin gallate	0.0414	1.9086	0.0182	2.0319
Gallocatechin gallate	0.2268	0.9847	0.1062	2.6823
Gallocatechol	0.0387	1.9672	0.0065	1.9876
GalNAca1-3[Fuca1-2]Galb1-4[Fuca1-3]GlcNAcb-Sp	0.2873	2.4129	0.1557	1.1442
Gambiriin B3	2.8908	0.1405	0.8691	0.0996
Gambiriin C	2.3302	0.1999	0.8440	0.6259
gamma-Glutamylalanine	0.0184	2.2436	0.0570	1.6809
gamma-Glutamylglutamate	0.2162	2.3755	0.0660	1.3423
gamma-Glutamyl phosphate	1.5912	1.0614	0.2140	1.1334
gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine	0.1378	1.6687	0.0621	2.1314
gamma-L-glutamylbutirosin B	1.4474	0.0185	2.4831	0.0510
gamma-Tomatine	2.2534	0.0463	1.6389	0.0613
Ganoderic acid C1	1.5553	0.1687	1.8648	0.4112
Garciduol A	0.0779	1.8386	0.0492	2.0343
Garciduol B	1.2065	0.6554	1.3715	0.7666
Garciduol C	0.0562	1.6931	0.0553	2.1954
Garcilivin A	0.0665	3.3163	0.0804	0.5368
Garcilivin B	2.7858	0.0597	1.0969	0.0575
Garcinia acid	0.7295	1.2771	1.1247	0.8688
Gardenoside	0.3165	1.1092	0.3337	2.2406
Gastrodin	1.3081	0.9916	0.5045	1.1959
GDP-4-amino-4,6-dideoxy-alpha-D-mannose	0.0336	2.1824	0.0084	1.7756
GDP-alpha-D-mannuronic acid	1.9906	1.2143	0.2623	0.5328
GDP-D-glycero-alpha-D-manno-heptose	0.0963	2.8944	0.0127	0.9966
GDP-valienol	0.9838	1.8628	0.7404	0.4130
Gefitinib	2.6145	0.4753	0.5516	0.3586
Gemcitabine 5^-diphosphate	2.0274	0.1614	1.5451	0.2660
Geniposide	0.6155	1.7158	0.2082	1.4604
Geniposidic acid	0.5834	1.2142	0.4033	1.7991
Genistein 4^-O-glucuronide	1.5402	1.0433	0.3883	1.0283
Genistein 7-O-glucuronide	0.0384	2.2191	0.0179	1.7246
Genistin	0.9204	0.0604	2.9243	0.0948
Gentianose	1.6821	0.0438	2.2089	0.0652
Gentiobiose	1.9757	0.8549	0.7253	0.4442
Gentiopicroside	1.2189	0.0428	2.6821	0.0562
Gentisyl alcohol	2.8585	0.1664	0.8974	0.0777
Geraniol 6-O-beta-D-apiofuranosyl-beta-D-glucoside	0.8677	0.0272	3.0742	0.0308
Geranoyl-CoA	3.5217	0.1373	0.2066	0.1344
Gerberinol	1.7993	0.0539	2.0356	0.1113
Gilteritinib	1.0842	0.7774	1.2235	0.9149
Gilvocarcin V	0.9537	1.1212	1.0516	0.8735
Ginkgetin	2.3964	0.1183	1.2864	0.1989
Ginsenoside La	0.0845	0.0292	0.6075	3.2789
Ginsenoside Rh2	0.3463	1.4265	0.0887	2.1385
Glabridin	1.7799	0.0302	2.1131	0.0768
Glabrin D	1.2091	0.0202	2.7116	0.0591
Glafenine hydrochloride	1.4925	0.1433	2.1970	0.1672
GlcCer(d18:1/24:0)	1.8916	0.0808	0.1495	1.8781
Gln-Asp-Leu-Glu	0.4025	1.3522	0.3882	1.8571
Gln-Gln	0.4346	0.4369	2.6437	0.4848
Gln-Leu-Glu	2.3555	0.1144	1.3443	0.1858
Gln-Lys-Phe-Arg	1.2543	0.3436	2.0964	0.3057
Gln-Pro-His	1.7755	0.6589	0.8979	0.6677
Gln-Tyr-Thr-Lys	0.1058	1.9914	0.1484	1.7544
Globuxanthone E	0.1319	2.2785	0.0352	1.5545
Glochiflavanoside B	1.3522	0.2432	2.3167	0.0878
[Glp5,(Me)Phe8,Sar9] Substance P (5-11)	1.1253	1.3484	0.0341	1.4922
Glu-Asn-Lys-Asp	0.8037	0.1450	2.9369	0.1144
Glu-Asp-Trp	0.0107	1.0577	0.0567	2.8749
Glu-Asp-Val-Asp	1.1601	0.1919	2.4106	0.2373
Glucoberteroin(1-)	0.8038	0.6578	1.5875	0.9510
Glucobrassicanapin(1-)	1.2323	1.5894	0.4246	0.7538
Glucocheirolin	0.7802	0.4512	2.0477	0.7210
Glucodistylin	1.6146	0.7635	0.8824	0.7395
Glucoemodin	0.0253	3.9427	0.0160	0.0160
Glucoerucin	1.8100	0.5155	1.3475	0.3270
Glucoliquiritin	0.7375	1.2305	0.1687	1.8632
Gluconasturtiin	0.1310	1.1617	0.2699	2.4374
Glucoraphenin	3.1156	0.0965	0.7387	0.0492
Glucosamine 1-phosphate	0.0926	2.7179	0.0674	1.1222
Glucose	0.5902	2.2751	0.2789	0.8558
Glucosyringic acid	0.1076	0.0081	3.8745	0.0099
Glucovanillin	1.4233	0.0988	2.3631	0.1148
Glu-Cys-Asn	0.5729	0.1095	2.6714	0.6462
Glu-Cys-Tyr	0.9971	0.1604	2.7524	0.0901
Glu-Gln-Phe-Arg	2.1143	0.0693	1.6354	0.1809
Glu-Glu-Met-Ile-Ala	2.2232	0.1917	1.3550	0.2301
Glu-His-Phe	1.7634	0.5813	0.8286	0.8267
Glu-Leu	0.5181	1.2012	0.1278	2.1529
Glu-Lys-Phe	2.7007	0.1769	0.7371	0.3852
Glu-Phe	1.1843	0.6496	1.2617	0.9044
Glu-Phe-Asp-Glu	0.0963	2.2613	0.0970	1.5455
Glu-Phe-Thr-Asp	1.3711	0.0223	2.5741	0.0325
Glu-Ser-Val	0.8378	0.7499	0.8654	1.5469
Glutaconic acid	1.1837	1.2820	0.7195	0.8148
Glutamine	1.8868	1.1263	0.3004	0.6865
Glutaminyl-arginine	1.4445	0.6726	1.2851	0.5977
Glutaminylhistidyllysine	0.5329	2.7753	0.2248	0.4670
Glutamylvaline	1.6770	0.5974	0.6114	1.1141
glutaryl-CoA	0.0525	1.5267	0.0040	2.4168
Glutathione	0.5859	0.5404	2.1939	0.6799
Glutathioselenol	0.7950	1.8108	0.1029	1.2913
Gluten exorphin B4	1.6251	0.4506	1.4632	0.4610
Glu-Thr-His-Glu	1.1415	1.9163	0.4797	0.4625
Glu-Thr-Tyr-Glu	0.0776	1.7911	0.1098	2.0215
Glu-Val-Gln-Glu	1.6549	0.0547	2.1657	0.1247
Gly-Arg-Gly-Asp-Ser-Pro-Cys	2.1956	0.2186	1.4300	0.1558
Gly-Asp-Ala-Asn-Thr	2.0977	0.2280	1.3948	0.2795
Glyburide	0.3281	1.3936	0.3728	1.9056
Glycerol	1.3699	0.6380	1.6901	0.3020
Glycerol 1-propanoate diacetate	1.9113	0.2257	1.7460	0.1169
Glyceryl lactopalmitate	0.0316	2.0636	0.0086	1.8962
Glycine	1.0844	1.0521	1.5516	0.3119
Glycitin	0.0751	1.2273	0.0335	2.6641
Glycyl-H 1152 dihydrochloride	0.7012	1.3375	0.4266	1.5347
Glycyl-l-glutamine	1.1584	0.2326	2.4536	0.1555
Glycyphyllin	0.0998	3.0453	0.0140	0.8409
Gly-Cys-His	1.8161	0.8832	0.8892	0.4115
Gly-Ile-Asp-Lys-Phe	3.1469	0.2398	0.5320	0.0812
Gly-Lys-Thr-Ser-Glu	1.8810	0.0354	2.0018	0.0817
Glyphoside	0.0179	1.8885	0.0070	2.0866
Glyphosine	0.8812	1.1394	0.9026	1.0769
Gly-Tyr-Asn-Ser-Tyr	0.0759	0.2133	3.6166	0.0942
Glyurallin A	2.2724	0.1497	1.4489	0.1290
Gnemontanin E	2.6727	0.4090	0.1863	0.7319
Gnidicin	1.0211	0.9058	1.1976	0.8755
Gomphrenin-V	0.0992	1.0147	0.0922	2.7939
Goniolactone D	0.2548	1.0260	0.4491	2.2701
Gonyautoxin 1	2.6014	0.1917	0.9975	0.2093
Gossypetin 8-glucoside 3-sulfate	3.1034	0.1100	0.6690	0.1176
Gossypetin 8-glucuronide 3-sulfate	1.2697	0.1528	2.4067	0.1707
Gossypin	0.4007	1.3697	0.7496	1.4801
Gossypol	0.2436	3.4714	0.0644	0.2206
Granatin A	0.8968	1.4113	1.0505	0.6414
Gravacridonediol glucoside	2.3569	0.1114	1.4325	0.0992
Grepafloxacin glucuronide	1.2863	0.7943	0.6944	1.2250
Griseophenone C	3.0404	0.1714	0.3629	0.4253
Grossamide	0.0307	2.2008	0.0758	1.6926
Guanethidine sulfate	2.4245	0.0852	1.3302	0.1600
Guanosine 3^,5^-cyclic monophosphate	0.0469	2.0135	0.0163	1.9233
Guanosine-5^-monophosphate	2.5257	0.1902	1.2178	0.0663
Guinea green B	0.8560	1.3424	0.0641	1.7375
Guisinol	3.8574	0.0358	0.0533	0.0534
GW4869 dihydrochloride	1.3400	0.2390	1.9690	0.4520
GW 6471	0.0713	2.0014	0.1557	1.7716
Gymnodimine	1.0779	0.7636	1.4354	0.7232
Gyrophoric acid	1.2094	1.3653	0.3245	1.1007
Haemocorin	0.0092	1.1505	0.0568	2.7834
Halacrinate	0.7255	1.8231	0.1577	1.2938
Halcinonide	0.0392	1.9031	0.0881	1.9696
Hallactone B	0.0746	1.5024	0.2469	2.1761
Halopemide	0.4441	0.2524	2.8857	0.4177
Halosulfuron-methyl	0.0104	2.0911	0.0007	1.8979
Haplodimerine	1.4261	0.0537	2.4036	0.1165
Haploperoside E	1.4608	0.1059	1.8782	0.5552
Haploside C	1.4855	0.5480	1.6089	0.3576
Harpagoside	1.8194	0.0065	2.1692	0.0049
H-Cys(1)-Tyr-Phe-Gln-Asn-Cys(1)-OH	0.0669	2.1647	0.0739	1.6945
Hedamycin	1.0302	0.1117	2.3301	0.5280
Hederagenin	0.0157	1.5056	0.0408	2.4379
Helichrysoside	1.4653	0.0699	2.4225	0.0423
Hellebrin	0.9655	0.3709	2.2968	0.3668
helonioside A	0.0230	2.3708	0.0060	1.6002
Hemine	2.4688	0.3663	0.9915	0.1734
Henryoside	2.1229	0.0802	1.7284	0.0685
Heptethylene glycol	1.1457	0.5380	1.5866	0.7298
Heptyl 4-hydroxybenzoate	0.6692	1.3445	0.2049	1.7814
Hesperetin	1.5766	0.7919	1.0714	0.5601
Hesperetin 7-O-glucoside	0.0068	2.1630	0.0080	1.8222
Hesperetin dihydrochalcone	0.8822	1.4091	0.5097	1.1989
hesperitin-7-O-beta-D-glucoside	0.0377	2.0708	0.0430	1.8484
Heterophylliin E	1.4514	0.1096	2.1983	0.2407
Hexaethylene glycol	2.0343	0.4376	1.3190	0.2091
Hexanethioic acid S-propyl ester	2.2147	0.1032	1.6702	0.0120
Hexanoyl-coenzyme a	0.0423	2.0387	0.0124	1.9066
Hibiscitrin	0.0069	2.2616	0.0026	1.7289
Hidrachine A	0.5604	0.9517	0.2227	2.2652
His-Arg-Lys-Glu	0.8919	1.9810	0.6508	0.4763
His-Gln-Asn-Glu	0.0008	2.3855	0.0062	1.6075
His-Gln-Glu-Asp	0.6479	0.3684	2.7531	0.2307
His-Glu-Ile-Glu	0.0305	2.6708	0.0050	1.2937
His-Glu-Met	0.0706	1.6275	0.2013	2.1006
His-Glu-Phe-Gly-Asp	2.2941	0.7676	0.4965	0.4419
His-Glu-Trp	0.1412	1.9437	0.2132	1.7019
His-His-Ser-Lys-His	3.3065	0.0870	0.3520	0.2545
His-Leu-Asp-Gln-Gln	0.6051	0.0858	3.2120	0.0971
His-Leu-Trp	1.4700	0.2654	1.9966	0.2680
His-Lys-Phe-Lys	1.0161	0.2270	2.4589	0.2980
His-Lys-Ser-Glu	2.3759	0.2623	0.5620	0.7998
His-Met	1.4653	0.2650	2.1079	0.1618
His-Phe-Arg-Asp	0.4322	1.2467	0.3830	1.9381
His-Phe-Asp	1.8931	0.1714	1.8643	0.0711
His-Phe-Tyr-Asp	0.2784	1.6397	0.0646	2.0174
Hispidulin	0.3649	1.7469	0.1064	1.7819
His-Ser-Ser	0.8912	0.3417	2.1620	0.6051
His-Ser-Thr	1.0139	2.0654	0.3871	0.5337
His-Thr-Ser-Asp	0.0496	2.4496	0.0420	1.4588
Histidyltryptophyldiketopiperazine	0.1985	0.0985	3.6666	0.0363
His-Tyr-Arg-Lys	0.7795	0.1343	2.8691	0.2171
His-Val-Thr-Glu-Glu	2.0140	0.2330	1.5456	0.2074
HIV Gag (129-135)	0.0964	1.7122	0.2966	1.8948
HMB-Val-Ser-Leu-VE	1.3113	0.0806	2.5821	0.0260
Hoiamide C	0.1266	1.7455	0.1963	1.9316
Homatropine hydrobromide	1.4251	0.3553	2.0736	0.1460
Homidium bromide	0.2634	2.6293	0.0279	1.0794
Homocitrulline	0.9111	1.1044	0.9829	1.0016
Homoeriodictyol	0.0312	2.4330	0.1107	1.4251
Homoeriodictyol (+/-)-	0.0131	2.5310	0.0215	1.4344
Homogentisic acid	2.3607	0.1403	1.3679	0.1312
Homomoschatoline	1.3524	0.1035	2.4380	0.1061
Homoplantaginin	2.4653	0.2089	0.7269	0.5989
Homotropine	2.4984	0.0982	1.2103	0.1930
Homovanillin	3.2870	0.1441	0.4997	0.0692
Hopeaphenol	1.0459	1.1332	0.4926	1.3283
HoPhe-Abu-OH	0.5730	0.9949	0.7131	1.7189
HoPhe-Asp-OH	2.0197	0.1254	0.8987	0.9563
HoPhe-Gly-OH	1.2649	0.3910	1.7025	0.6416
HoPhe-Nap-OH	0.2494	2.2906	0.2451	1.2149
H-Trp-ser-OH	1.5759	0.7916	1.5370	0.0955
Humic acid	1.4505	0.6756	0.5386	1.3353
Hydrangenoside A	0.7690	0.5001	1.6679	1.0630
Hydrindantin	0.7459	1.0854	1.3889	0.7798
hydrodidemethylasterriquinone D	2.1853	0.1288	1.2168	0.4690
Hydrolysis product OF bussein	2.3348	0.0914	1.4534	0.1204
Hydromorphone-3-glucoside	2.0536	0.1646	1.2763	0.5056
Hydroquinone	0.2960	2.3750	0.0110	1.3180
[hydroxy-[[(2S,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate	1.4702	0.5761	1.1066	0.8471
Hydroxychlor	1.6986	0.5338	1.6587	0.1089
Hydroxy Dehydro Nifedipine Lactone	0.1480	1.9778	0.0592	1.8151
Hydroxyitraconazole	0.6146	1.4789	0.3674	1.5391
Hydroxynefazodone	1.4056	0.1242	2.3976	0.0727
Hydroxyomeprazole	0.8627	0.1445	2.8080	0.1847
Hydroxyphenyllactic acid	0.7449	1.3333	0.6845	1.2373
Hydroxypropionic acid	1.2468	1.4711	0.4985	0.7836
Hydroxysintaxanthin 5,6-epoxide	1.6528	0.3128	1.9390	0.0953
Hydroxyvalerenic Acid	2.0192	0.9613	0.5120	0.5076
Hydroxyzine pamoate	0.1577	1.8395	0.0922	1.9106
Hyenanchin	0.4480	0.5159	0.1598	2.8762
Hymenoside F	1.6804	0.5995	0.0322	1.6879
Hymenoxon	1.5349	0.0941	2.0807	0.2903
Hypericin	1.4764	0.1457	2.1556	0.2222
Hypoxylone	0.2919	1.9879	0.1149	1.6052
Ibipinabant	0.0709	2.1307	0.1099	1.6885
Ibuprofen Acyl Glucuronide	1.8121	0.1088	1.9449	0.1342
Ibutilide fumarate	1.9203	0.2810	1.6485	0.1502
Idelalisib	0.5611	2.2473	0.3426	0.8490
Ilaprazole sodium	2.3745	0.4516	0.8505	0.3235
[Ile3] Pressinoic Acid	1.3874	1.1487	0.4837	0.9802
Ile-Ile-Arg-Ser-Ser	1.0182	0.1038	2.8150	0.0630
Ile-Met-Tyr	1.3933	0.0297	1.0508	1.5262
Ile-Phe4Cl-OH	1.9864	0.8833	0.3395	0.7907
Ile-Phe-Val-Lys	0.2752	0.0657	3.6151	0.0440
Ile-Ser-Asp-Arg-Ile	0.5440	0.2584	2.9241	0.2735
Ile-Ser-Val-Asp	0.8225	0.0498	3.0703	0.0574
Ile-TyrMe-OH	0.4825	2.1818	0.1317	1.2041
Ile-Val	1.6712	1.0465	0.5916	0.6908
Ilicifolinoside A	2.1676	0.0780	1.6917	0.0627
Imatinib mesylate	1.8678	1.5051	0.1806	0.4464
Imazaquin	2.8718	0.2090	0.5453	0.3739
Imazosulfuron	0.1266	2.4861	0.0557	1.3316
Imibenconazole	0.0032	1.7302	0.0105	2.2561
Imidacloprid	0.1022	2.2807	0.0776	1.5394
Imidocarb	1.2492	0.5760	1.5430	0.6319
Imipramine	2.8273	0.1185	0.9870	0.0673
Imperatorin	0.1712	0.9392	0.0748	2.8148
Impranine	1.1357	0.5043	1.3881	0.9719
Indicaxanthin	0.3322	2.8778	0.2235	0.5665
Indirubin	0.1087	1.8374	0.2150	1.8389
Indobufen	0.5926	2.3028	0.2685	0.8361
indol-3-ylacetyl-CoA	2.3016	0.9841	0.4288	0.2855
(indol-3-yl)acetyl-L-phenylalanine	0.1170	1.6979	0.3062	1.8790
Indole	0.6430	1.1915	0.2045	1.9610
Indole-3-acetamide	0.7512	1.1515	0.1213	1.9760
Indole-3-carboxylate	1.3035	0.2815	0.4655	1.9495
Indole-3-lactic acid	0.7740	1.3569	0.6700	1.1992
Indole-3-propionic acid	0.5358	1.2829	0.7617	1.4197
Indoleacetaldehyde	0.8273	1.3540	0.6749	1.1439
Indolylmethyl glucosinolate	0.9830	0.5400	1.8330	0.6440
Indomethacin	0.1281	1.8091	0.1276	1.9352
Ingenol 3,20-dibenzoate	0.9887	0.6065	0.3092	2.0957
Inosine diphosphate	0.0286	2.1206	0.3393	1.5115
Inosine triphosphate	1.1951	0.0858	2.6852	0.0339
Inosinic acid	0.3485	1.8195	0.1346	1.6974
Inositol niacinate	2.6157	0.2204	0.9180	0.2458
Iodoresiniferatoxin	1.6632	1.3181	0.7278	0.2910
Iodosulfuron-methyl-sodium	0.3824	0.3548	0.0500	3.2128
Ipecoside	1.1445	0.9577	0.9394	0.9584
Iresinin I	0.0064	2.6997	0.0217	1.2722
Iridin	0.8987	0.9172	1.5727	0.6113
IRIFLOPHENONE TRIMETHYL ETHER	0.0136	2.2141	0.0723	1.7000
Irigenin	1.8951	0.5435	1.2162	0.3453
Irilone 4^-glucoside	2.2830	0.0640	1.2820	0.3709
IRINOTECAN HYDROCHLORIDE Trihydrate	1.5859	0.0799	2.2892	0.0450
Irisoid E	0.2106	1.8377	0.1619	1.7898
Irisolidone 7-O-glucuronide	1.8854	0.2882	1.0992	0.7272
iron(2+);3-[(2S,3S,7S,8S)-7,13,17-tris(2-carboxyethyl)-3,8,12,18-tetrakis(carboxymethyl)-3,8-dimethyl-2,7-dihydroporphyrin-21,23-diid-2-yl]propanoic acid	0.1286	1.5346	0.1051	2.2317
Islanditoxin	0.1630	0.8078	0.3316	2.6976
Isochamaejasmin	0.9389	1.4300	0.3542	1.2769
Isochlorogenic acid A	2.3717	0.4295	0.7967	0.4021
Isochromophilone IX	2.9396	0.4795	0.3651	0.2158
Isocitric acid	0.9504	1.4318	1.3683	0.2495
Isocromadurine	0.9137	0.5084	2.3782	0.1997
Isodeoxyelephantopin	1.3302	0.0358	2.6182	0.0158
Isodonal	0.8120	0.7374	0.6124	1.8381
Isofenphos-methyl	0.1319	1.5216	0.0760	2.2705
Isoflupredone acetate	2.3056	0.0905	1.2973	0.3066
Isokaempferide	1.5813	0.6940	0.5792	1.1454
Isolariciresinol 9-O-beta-D-glucoside	0.5156	1.1889	1.4031	0.8925
Isolimocitrol	0.7691	1.1988	1.0878	0.9443
Isolimocitrol 3-glucoside	0.3308	0.8305	0.0739	2.7648
Isoliquiritigenin	0.0589	1.7854	0.0581	2.0976
Isoliquiritin	1.2381	0.8557	0.6220	1.2842
Isoliquiritin apioside	2.1748	0.4996	0.9763	0.3492
Isomaltulose	0.7875	2.0580	0.0720	1.0825
Isoneotheaflavin 3-O-gallate	0.9452	0.1404	2.7395	0.1750
Isoorientin	1.3481	0.2336	2.2534	0.1649
Isopalmitic acid	1.0334	1.0551	0.9229	0.9886
isopentenyladenine-9-N-glucoside	0.1045	1.6850	0.1739	2.0366
Isopentenyl pyrophosphate	0.0382	2.4948	0.0051	1.4618
Isoquercitrin	1.6281	0.1242	2.1301	0.1176
Isoquercitrin 4^^-rhamnoside	0.0559	1.0128	0.0219	2.9093
Isorhamnetin 3-(6^^-malonylglucoside)	2.0359	0.1284	1.7157	0.1200
Isorhamnetin 3-O-beta-D-glucopyranosyl-(1-2)-alpha-L-rhamnopyranoside	1.4440	1.3475	0.7992	0.4094
isorhamnetin-3-O-glucoside	1.6113	0.6268	0.5526	1.2092
Isorhamnetin-3-O-rutinoside-4^-O-glucoside	0.1442	1.7164	0.1519	1.9874
Isorutarin	0.0073	2.3394	0.0223	1.6310
Isoschaftoside 4^-glucoside	1.3612	0.4256	1.8037	0.4095
Isoscoparin	3.5117	0.0167	0.4326	0.0390
Isosorbide dinitrate	1.6610	0.0333	2.2231	0.0826
Isoswertisin 2^^-rhamnoside	1.6718	0.0566	2.2232	0.0484
Isovaltrate	0.9905	0.2696	0.7488	1.9911
Isovitexin 2^^-O-arabinoside	0.7653	0.8702	0.0406	2.3238
Isovitexin-7-olate	1.7981	0.0330	2.1172	0.0516
Isoxaflutole	1.0315	0.7227	1.3940	0.8517
Itopa	0.0611	1.4189	0.0552	2.4648
Ivacaftor	1.6008	0.1166	2.1815	0.1011
Ivosidenib	1.2647	0.1828	2.2317	0.3208
IWR-1-exo	0.0032	1.6878	0.0106	2.2984
Ixabepilone	0.1327	2.2090	0.1992	1.4592
Jacaglabroside B	0.0956	2.9589	0.0983	0.8471
Jaceidin	0.2458	3.4374	0.1576	0.1593
Jaceidin 4^-glucuronide	0.6752	2.5433	0.0976	0.6838
jadomycin A	2.8425	0.1981	0.2100	0.7493
Janex-1	0.3226	1.6325	0.4910	1.5539
Jionoside B1	2.9075	0.0714	0.4599	0.5612
JKC-302	1.7559	0.2635	1.5347	0.4460
Joro spider toxin	0.6168	0.9850	1.3826	1.0155
Juglone	1.6434	1.2558	0.4989	0.6020
Junceellin	1.9621	0.1345	1.1127	0.7907
Juniperoside II	2.8889	0.1187	0.9158	0.0766
Justalakonin	0.4744	0.5363	0.0270	2.9623
JWH 018 6-hydroxyindole metabolite	0.7269	1.6475	0.8279	0.7977
JWH 018 N-(5-hydroxypentyl) beta-D-Glucuronide	0.0127	2.1179	0.3792	1.4902
JWH 073-d7	0.8926	0.5284	1.6063	0.9728
Kaempferitrin	0.6376	0.7897	0.2333	2.3393
Kaempferol 3-(2^^-rhamnosyl-6^^-acetylgalactoside) 7-rhamnoside	0.4650	1.7645	0.4847	1.2858
Kaempferol 3-(3^^,6^^-diacetyl-2^^,4^^-di-p-coumaroylrhamnoside)	1.4244	0.6315	0.7724	1.1717
Kaempferol 3,4^,7-triacetate	0.0864	1.8910	0.0110	2.0116
Kaempferol 3-[6^^-(3-hydroxy-3-methylglutaryl)glucoside]-7-glucoside	0.0705	1.9792	0.1340	1.8163
Kaempferol 3-alpha-D-glucoside	1.8466	0.9143	0.7228	0.5163
Kaempferol-3-O-(2^^-sinapoyl)glucosyl-(1→2)-(6^^-malonyl)glucoside	0.0772	1.6429	0.0559	2.2240
Kaempferol-3-O-(6^^-Malonyl)glucoside-7-O-Glucoside	2.5903	0.1920	1.0103	0.2074
"kaempferol 3-O-(6""""-O-feruloyl)-glucoside"	1.0397	1.2409	0.3463	1.3732
Kaempferol 3-O-alpha-L-rhamnofuranoside	0.4651	1.6531	0.1128	1.7690
kaempferol 3-O-beta-D-glucopyranosyl-7-O-alpha-L-rhamnopyranoside	1.5561	0.0189	2.3875	0.0375
kaempferol 3-O-beta-D-xyloside	0.4041	0.0008	3.5947	0.0004
Kaempferol 3-sophoroside-7-glucoside	0.0037	0.8959	0.0089	3.0915
Kaempferol 3-sophorotrioside	0.2798	1.4168	0.0882	2.2152
Kaempferol 7-cellobioside 3-sophoroside	0.0773	1.7194	0.0119	2.1915
kaempferol 7-O-glucoside	1.5000	0.0169	2.4690	0.0141
Kaempferol 7-sophoroside	0.9642	0.6406	0.5487	1.8465
Kandelin A-1	0.1958	1.7469	0.2012	1.8561
Kanokoside C	2.1520	0.0757	1.7454	0.0269
Kanokoside D	0.7149	0.1003	3.0945	0.0903
Kansuinine B	1.3837	0.3601	1.7491	0.5071
Kanzonol I	0.6554	0.0260	3.2598	0.0588
Karakin	0.3396	1.6024	0.5683	1.4897
Karwinskione	0.0599	2.2974	0.0714	1.5713
Kasugamycin	1.4211	0.4107	1.9594	0.2088
Kazinol A	0.7658	0.1483	2.9314	0.1545
Kefurox	1.6025	0.0868	2.2180	0.0926
Ketazolam	1.3944	0.0614	2.4915	0.0526
Keto-Deoxy-Nonulonic acid	1.8089	0.9550	0.5796	0.6564
Ketoleucine	2.3235	0.1416	1.4940	0.0410
Ketoprofen	1.5065	0.0138	2.4548	0.0249
Ketorolac	0.1142	1.6296	0.0335	2.2227
Ketotifen	0.5294	1.2154	1.5480	0.7073
Khellin	1.5077	0.7856	0.8952	0.8116
Khelloside	0.1337	2.4581	0.0479	1.3602
Khelmarin D	0.4168	2.4023	0.5277	0.6532
Kifunensine	0.0149	1.9814	0.0106	1.9931
Kinamycin D	0.0132	2.2836	0.0104	1.6928
Kinobscurinone	0.1327	2.3706	0.2253	1.2715
Kioukasin B	0.0316	0.4205	0.1451	3.4029
Kobophenol A	0.1432	3.1860	0.1014	0.5694
KOdiA-PC	1.7828	0.3895	1.4486	0.3792
Kolaflavanone	0.0511	2.1866	0.0413	1.7210
Koparin	1.9812	0.4007	1.2173	0.4008
Kuhlmannin	1.8590	0.4025	0.8545	0.8840
Kuromanin	1.4551	0.0096	2.5323	0.0030
Kuwanon G	0.0899	2.8163	0.0567	1.0370
Kuwanon L	1.2622	0.3808	1.5250	0.8321
Kuwanon R	1.5417	0.0308	2.4056	0.0219
Kuwanon V	3.1622	0.1230	0.5810	0.1337
Kuwanon Z	0.0560	1.7702	0.1019	2.0719
Kynostatin 272	0.0658	0.8758	0.0575	3.0009
L-2-Amino-6-oxohexanoic acid	0.6380	1.2373	0.5076	1.6171
L-2-Aminoadipate adenylate	0.9601	0.6751	2.0336	0.3312
L-4-hydroxyphenylglycine-L-arginyl-D-4-hydroxyphenylglycine-L-seryl-L 4-hydroxyphenylglycine	0.1974	1.5595	0.5091	1.7340
Labriformidin	1.0164	1.4718	0.1525	1.3593
Laccaic acid D	0.3494	0.6519	0.1217	2.8771
L-Acetopine	0.0796	2.3569	0.0812	1.4823
Lactofen	1.9583	0.2644	1.6253	0.1520
Lactupicrin	2.4218	0.0298	0.8075	0.7408
Laetisaric acid	0.6988	1.6023	0.4700	1.2289
l-Alanyl-l-glutamine	0.0767	2.5792	0.0950	1.2490
L-Alanyl-L-methionine	1.4982	0.0472	2.4249	0.0297
Laminin Penta Peptide,amide	0.8115	0.1853	2.7639	0.2393
Lancerin	2.5412	0.3480	0.9065	0.2043
Lancifodilactone D	2.5678	0.0821	1.2712	0.0789
Lansic acid	0.3365	1.0989	0.1878	2.3768
Lansoprazole Sulfone	0.1266	2.4416	0.1086	1.3232
Lapatinib	0.1288	2.6993	0.0592	1.1127
Lapatinib Ditosylate	0.0699	2.5719	0.0379	1.3203
Lappaol F	3.0784	0.0995	0.6267	0.1953
L-Arabinose	1.5108	0.6197	1.2476	0.6219
Laricitrin 3-galactoside	0.5764	2.1236	0.1999	1.1001
Laricitrin 3-glucoside	2.8128	0.1539	0.8763	0.1571
L-Ascorbic acid 2-phosphate	0.9646	0.9404	1.2075	0.8874
L-Ascorbic acid monostearate	1.1463	0.2072	2.3794	0.2671
Laserpitin	1.4567	0.1350	2.3473	0.0609
L-Asparaginyl-L-Arginine	1.1955	0.0448	2.6854	0.0742
L-Aspartic acid	1.5819	0.6050	1.0854	0.7277
Latamoxef	0.8992	1.9462	0.0934	1.0612
Latinone	2.5383	0.0734	1.3168	0.0715
L-cystathionine	1.8631	0.0960	1.9606	0.0803
(L-cysteinyl)adenylate	2.2011	0.0731	1.6308	0.0950
Lecanoric acid	0.4070	1.2222	0.1505	2.2203
Ledipasvir	0.3119	0.0741	1.2349	2.3791
Leelamine Hydrochloride	1.7732	0.3537	1.2325	0.6405
Leflunomide	3.7740	0.0829	0.1165	0.0266
Leiocarposide	3.0704	0.0310	0.8782	0.0204
Lenvatinib mesylate	0.1435	0.0558	3.7422	0.0585
Leonuriside A	1.5935	0.7892	0.3959	1.2214
Lestaurtinib	3.5470	0.0706	0.2285	0.1539
Leu-Abu-OH	0.4045	2.0477	0.1215	1.4263
Leu-Asp-Gln-Gln-Val	1.1121	0.0995	2.7105	0.0780
Leucocianidol	0.3834	1.6913	0.0871	1.8383
Leucodelphinidin 3-[galactosyl-(1->4)-glucoside]	0.7788	1.5295	0.1240	1.5676
Leu-Ile-His-Arg	1.9641	0.7443	0.2264	1.0651
Leukotriene E3	1.9077	0.0927	1.8312	0.1684
leukotriene E4	0.3055	2.7347	0.2945	0.6652
Leu-Leu-Lys-Gln-Gly	0.4226	0.0376	3.4498	0.0900
Leu-Met-Lys-Asp-Gly	0.0292	0.0656	1.7158	2.1894
Leu-Met-OH	3.0174	0.1700	0.6621	0.1506
Leu-Phe4Cl-OH	0.9529	1.2468	0.4400	1.3603
Leu-Ser-Glu-Lys-Tyr	0.5207	1.1123	0.1852	2.1818
Leu-Ser-His-Asp	0.1804	0.4384	3.2164	0.1648
Leu-Ser-Phe-Met-Gln	2.2908	0.0805	1.3820	0.2468
Leu-TyrMe-OH	2.8483	0.2426	0.1814	0.7276
Levofloxacin Hemihydrate	0.3056	0.0580	3.5960	0.0405
Levoglucosan	0.5974	1.5412	0.4673	1.3941
Levosimendan	1.7205	0.1144	2.0814	0.0838
Levothroid	1.1053	1.4721	0.3281	1.0945
L-Gulonolactone	1.4613	0.1611	2.1592	0.2184
L-Histidine	1.0521	1.3772	0.1050	1.4657
l-Histidinol phosphate	0.2438	0.0831	3.6352	0.0379
L-Homoserine	1.2567	0.0503	2.6438	0.0492
Licochalcone a	1.6049	0.1715	1.9230	0.3006
Licochalcone B	0.9969	1.1009	1.0558	0.8464
Licofelone	0.6773	1.0698	1.6366	0.6163
Licorice glycoside A	2.9325	0.1315	0.4839	0.4521
Licorice glycoside C1	0.1170	1.5076	0.1076	2.2678
Licorice glycoside D1	1.4994	1.9503	0.3090	0.2413
Lignan P	0.4452	2.4409	0.1778	0.9361
Limocitrol 3-glucoside	0.3338	1.3451	0.7599	1.5613
Linagliptin Metabolite CD1790	0.4316	0.0765	3.3755	0.1163
Linamarin	2.5008	0.3530	1.0325	0.1137
Lindleyin	0.7736	1.2288	0.8084	1.1892
lipoyl-AMP	0.3207	1.8099	0.1029	1.7665
Liquiritigenin 4^-[3-acetylapiosyl-(1->2)-glucoside]	0.0921	2.2307	0.0593	1.6178
Liquiritin	1.8922	0.5588	0.9910	0.5581
Liriodenine	0.1756	2.0214	0.1613	1.6417
Lisuride	0.1307	2.5476	0.1554	1.1663
Lithocholic acid	1.5727	0.4547	1.7681	0.2044
lividomycin A	0.7582	1.3713	0.3530	1.5175
L-Lysine	1.3665	0.9293	0.3991	1.3051
L-Menthyl acetoacetate	0.4567	1.6499	0.0675	1.8258
L-Methionine, L-tryptophyl-	0.0498	0.0545	0.0532	3.8426
L-Methionylglycine	0.4039	2.1429	0.0753	1.3779
Lobeline	1.3565	1.6983	0.5076	0.4376
Loganic acid	0.0698	1.8809	0.0671	1.9822
Loganin pentaacetate	0.6306	0.8352	1.3946	1.1395
Lolitrem J	0.7134	1.6539	0.7380	0.8947
Lonchocarpol A	1.3014	0.6480	1.1882	0.8624
Lonicerin	2.1923	0.4158	1.0893	0.3026
Loperamide hydrochloride	0.4916	2.7570	0.0951	0.6564
Loquatoside	3.3788	0.0121	0.5884	0.0207
Lorazepam glucuronide	0.7571	2.0062	0.0910	1.1457
Lorglumide	2.3990	0.0796	1.3673	0.1541
Lotaustralin	0.4291	1.7217	0.4237	1.4254
Loxapine succinate	1.6018	0.6714	0.3028	1.4240
LPC(0:0/18:2)	0.9053	0.2683	2.5977	0.2287
LPC(0:0/22:5)	0.0192	1.8543	0.0745	2.0520
LPE(0:0/18:3)	0.7932	0.1967	2.8276	0.1826
LPE(18:1/ 0:0)	0.8967	0.5260	2.0893	0.4880
L-Phenylalaninosecologanin	1.0439	0.5457	0.7228	1.6876
LPI(18:2/0:0)	1.5397	0.7949	0.9990	0.6663
LPI(18:3/0:0)	1.5861	0.7283	1.0681	0.6175
L-Prolinamide, N2-((phenylmethoxy)carbonyl)-L-asparaginyl-(2S,3S)-2-hydroxy-4-phenyl-3-aminobutanoyl-N-(1,1-dimethylethyl)-	0.9663	0.0927	2.7515	0.1894
(L-Prolyl)adenylate	1.2283	0.3335	0.0459	2.3923
LPS(22:6/0:0)	1.1576	0.2020	2.4185	0.2219
LQWAESGR/2_0	1.1276	1.3512	0.0260	1.4952
L-Selenocystathionine	0.4396	1.6353	1.1420	0.7832
L-Sorbose	0.5615	1.5980	0.4796	1.3609
L-Thioinosine	2.7226	0.0595	1.2022	0.0157
L-threonylcarbamoyladenylate	0.1366	1.9038	0.5169	1.4426
<i>para</i>-hydroxyatorvastatin	0.2440	1.4853	0.2497	2.0211
L-Tryptophan	0.5938	1.1678	0.1800	2.0584
Lucidin	1.1626	0.7429	1.4355	0.6590
Lumefantrine	0.0397	1.5357	0.3127	2.1119
Lumiracoxib	0.0493	1.8730	0.0228	2.0549
Luteolin-7-O-(6^^-malonyl)glucoside-5-O-rhamnoside	1.4918	0.3350	1.8450	0.3282
Luteolin-7-O-(6^^^-malonyl)sophoroside-5-O-arabinoside	0.2230	1.7602	0.0467	1.9701
luteolin-7-O-gentiobioside	0.0780	1.4705	0.0686	2.3829
Luteolin-7-O-glucuronide-(2→1)-(2^^-Feruloyl)glucuronide	0.1317	1.2829	0.0744	2.5110
Luteoskyrin	0.3972	1.9752	0.1068	1.5208
Lyciumin C	2.3048	0.1428	1.3916	0.1608
Lycoricidine	0.4301	1.3574	0.9886	1.2239
(+)-Lyoniresinol 9-glucoside	1.6285	0.2228	1.8329	0.3158
Lyoniresinol 9^-sulfate	0.1159	1.1050	0.0369	2.7422
Lys-Abu-OH	0.5948	2.4016	0.1760	0.8276
Lys-Arg-Leu-Glu	1.1379	0.4231	1.4618	0.9772
Lys-Asp-Thr-Lys	1.0112	0.1033	2.8009	0.0846
Lys-Glu-Arg-Phe-Ala	0.4111	0.0598	3.4601	0.0689
Lysidicichin	1.9654	0.5877	0.1463	1.3006
Lys-Ile-Asn-Glu	0.3327	0.9152	0.1782	2.5739
Lys-Leu-Arg-Asp	1.8105	0.6698	1.0099	0.5098
Lys-Leu-Glu-Ala-Thr	1.5394	0.0215	2.4040	0.0350
LysoPA(19:0/0:0)	1.4985	0.1434	2.3216	0.0365
LysoPA(i-13:0/0:0)	1.0192	0.1113	2.7733	0.0963
LysoPA(i-20:0/0:0)	1.6243	0.3827	1.5632	0.4298
LysoPC 16:0	0.9843	0.8850	1.0673	1.0634
LysoPE(0:0/18:2(9Z,12Z))	0.6354	0.0366	3.2752	0.0529
LysoPE 16:0	1.7958	0.3641	1.4411	0.3990
LysoPG 16:0	2.7180	0.2781	0.7268	0.2772
Lys-Phe-Leu-Glu	1.7169	0.3633	1.5001	0.4197
Lys-Phe-Lys	0.6471	1.5381	0.1128	1.7021
Lys-Ser-Glu	2.0751	0.0411	1.8137	0.0701
Lys-Thr-Gln-Lys	0.6301	1.5076	0.1939	1.6684
Lys-Thr-Thr-Ser-Gly	0.4324	0.1581	3.3482	0.0613
Lys-Tyr-Val-Lys	1.5081	0.1571	2.0749	0.2599
Lysylasparagine	0.0297	1.6057	0.0953	2.2693
Lysyl-D-prolylthreonine	1.6016	0.0368	2.0301	0.3316
(-)-Maackiain-3-O-glucosyl-6^^-O-malonate	0.0080	2.0043	0.0044	1.9833
Maclurin 3-C-(2^^,3^^,6^^-trigalloylglucoside)	0.1086	2.4700	0.0236	1.3978
Madecassic acid	0.1634	1.5012	0.0446	2.2909
Madlongiside C	1.6556	0.0381	2.2554	0.0509
magnesium	0.0874	2.0963	0.0051	1.8112
magnesium;3-[(21S,22S)-16-ethenyl-11-ethyl-12-formyl-3-methoxycarbonyl-17,21,26-trimethyl-4-oxido-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),3,5(26),8,10(25),11,13,15,17,19-undecaen-22-yl]propanoate	1.2904	0.4571	0.6780	1.5745
magnesium;methyl (3R,11Z,12R,21S,22S)-16-acetyl-11-ethylidene-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13(25),14,16,18,20(23)-nonaene-3-carboxylate	1.7963	0.0498	1.9190	0.2349
Magnesium salicylate anhydrous	0.1117	2.2671	0.0845	1.5367
Magnolol	1.4049	0.1976	2.2066	0.1909
Majidine	1.3325	0.3722	1.9788	0.3165
Maleamic acid	1.3166	0.9988	1.1923	0.4923
Malic acid	1.6374	1.2764	0.3428	0.7434
Mallotochromene	1.7437	0.1564	1.7458	0.3541
Mallotophilippen C	0.1262	1.6588	0.2310	1.9841
Malonylapiin	2.4685	0.0892	1.4001	0.0422
Malonyldaidzin	0.0252	1.3762	0.0190	2.5795
Maltitol	0.2981	1.1793	1.1716	1.3509
Malvidin-3,5-diglucoside	0.5276	2.1102	0.3218	1.0404
Malvidin 3-sophoroside 5-glucoside	0.0545	1.6109	0.0320	2.3026
Malyngamide I	0.9823	0.5608	1.7241	0.7329
Malyngamide T	0.9930	0.2072	2.5993	0.2005
Man1F	0.4829	0.0907	0.0545	3.3718
Mancinellin	0.3579	0.1698	3.0922	0.3802
Mandelic acid	0.8410	1.2783	0.6985	1.1822
Mandipropamid	0.3333	1.6204	0.1242	1.9221
Mangiferin	1.6673	1.2449	0.4606	0.6272
Mangiferin 6^-gallate	0.0161	2.5896	0.0005	1.3938
Manniflavanone	0.2216	3.5546	0.0832	0.1405
Mannosylglycerate	1.4765	0.8156	1.5289	0.1790
Manoalide	1.5417	0.9406	1.2107	0.3070
Maraviroc	0.8984	0.2843	2.5009	0.3163
Maritimetin	0.5506	1.1302	1.8020	0.5172
Marshdimerin	0.9285	0.0358	3.0022	0.0335
Mascaroside	0.2859	1.7959	0.6010	1.3173
Matairesinol	1.1171	1.9338	0.2040	0.7452
m-Chlorohippuric acid	0.0530	2.1193	0.0338	1.7939
Mebhydrolin napadisilate	0.2661	2.1744	0.6460	0.9134
Meclocycline sulfosalicylate	1.1542	1.2489	0.9086	0.6882
meclofenoxate	0.2004	2.0845	0.0298	1.6853
Meclozine dihydrochloride	0.8364	1.5139	0.2636	1.3861
Medermycin	0.8841	0.1013	2.9311	0.0836
Medicagol	0.0661	1.9715	0.0092	1.9532
Medicarpin 3-O-glucoside-6^-malonate	0.0199	1.7893	0.0110	2.1798
Mefenpyr	1.0053	0.8911	1.1269	0.9766
Meisoindigo	0.3438	1.4826	0.2020	1.9716
Melatonin	1.2717	0.0843	2.5339	0.1101
Melatonin glucuronide	0.7879	2.0280	0.1558	1.0283
Melilotoside	1.8492	0.0182	2.0989	0.0337
Melitidin	2.2056	0.2983	1.2496	0.2464
Melitin	0.1317	1.8124	0.1883	1.8676
Melledonal C	0.0382	0.0776	0.0148	3.8695
Melphalan	1.9213	0.0283	2.0477	0.0027
Menadiol diphosphate	0.7823	1.1506	0.8593	1.2078
Menisperine	0.2049	2.0816	0.2501	1.4634
Menthyl lactate	0.3103	0.2753	3.0629	0.3515
Mephosfolan	0.0225	2.4696	0.0047	1.5033
Mesosulfuron-methyl	0.1148	2.8175	0.0346	1.0330
Mesoxalic acid	0.9524	0.9124	1.2020	0.9332
[Met5,Arg6] Enkephalin	0.1933	2.2268	0.3178	1.2621
Met-Abu-OH	1.3315	0.0760	2.5196	0.0729
Metadoxine	1.4408	0.1446	2.2580	0.1566
Metamitron	1.3539	0.5955	1.1161	0.9344
Met-Asn-Ser	1.9400	0.0474	1.9662	0.0464
Met-Cys	0.3950	2.1450	0.0471	1.4129
Met-Cys-Asp-Phe-Thr	0.3895	0.0312	3.4968	0.0825
Met-Glu-Gln	0.2554	0.3144	3.0713	0.3590
Methacrolein	0.7866	0.6784	0.5461	1.9889
Methazolamide	0.9383	1.0707	1.0702	0.9208
Methionine	0.2671	1.4065	0.4080	1.9184
Methionylmethionylarginine	1.4256	0.0692	2.3639	0.1413
Methionylprolylarginine	0.9469	1.3705	0.7344	0.9482
Methionylvaline	1.5834	0.7256	0.4859	1.2051
Met-His-Trp	0.5611	0.1544	3.2321	0.0524
Met-HoPhe-OH	0.1146	1.5601	0.0201	2.3052
Methoxyadiantifoline	0.4548	1.6446	0.0807	1.8199
Methsuximide	1.4449	1.2398	0.3929	0.9225
Methyl 10-acetyloxy-3,4-dihydroxy-1,16-dimethyl-11,19-dioxo-6,12,20-trioxahexacyclo[13.7.0.02,8.05,9.08,13.017,21]docosa-17,21-diene-5-carboxylate	1.1466	0.6656	1.3376	0.8502
Methyl (1,2,3,6,7,8-hexahydroxy-10-oxo-9,10-dihydroanthracen-9-yl)acetate	0.3686	1.4100	0.1142	2.1072
Methyl 15-[4-ethyl-8-(methoxycarbonyl)-1,3,6,7,8,9-hexahydro-2,6-methanoazecino[4,3-b]indol-8-yl]-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate	1.0502	0.1363	2.7436	0.0699
Methyl (1S,4aS,7aS)-1-(beta-D-glucopyranosyloxy)-4^-((1S)-1-(((2E)-3-(4-hydroxyphenyl)prop-2-enoyl)oxy)ethyl)-5^-oxo-4a,7a-dihydro-1H,5^H-spiro[cyclopenta[c]pyran-7,2^-furan]-4-carboxylate	2.0523	0.7527	0.9268	0.2682
Methyl 2,3,4,6-tetra-O-galloyl-beta-D-glucopyranoside	0.0597	3.4283	0.0545	0.4575
Methyl 2-(3,5-dichloro-2-hydroxy-6-methoxy-4-methylbenzoyl)-3,5-dihydroxybenzoate	1.3482	0.5612	1.2483	0.8423
Methyl (2,4-dichlorophenoxy)acetate	1.6784	0.3017	1.7841	0.2358
Methyl 2-[4-(nitrooxymethyl)benzoyl]sulfanylbenzoate	1.4545	0.5088	1.6495	0.3872
Methyl 2-[(phenylsulfonyl)amino]benzoate	0.2216	1.3953	0.2192	2.1639
methyl (2S,3S,4S,5R,6S)-6-[(7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl)oxy]-3,4,5-triacetyloxyoxane-2-carboxylate	0.2422	1.8087	0.0121	1.9370
Methyl 3,4,6-tri-O-galloyl-beta-D-glucopyranoside	0.1063	1.1749	0.1811	2.5377
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside	0.0571	1.8633	0.0199	2.0597
Methyl 4-bromo-2-(methylsulfonyl)benzoate	1.9567	0.0371	1.9132	0.0930
Methyl 4-O-alpha-L-rhamnopyranosyl-alpha-L-rhamnopyranoside	2.0147	0.0483	1.8016	0.1354
Methyl 5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxylate	0.1643	2.7027	0.0775	1.0555
Methyl 5-((4-fluorophenoxy)methyl)furan-2-carboxylate	2.6059	0.0487	1.2641	0.0813
Methyl 6-(8-methyl-10-methylidene-6,7-dihydro-[1,3]dioxolo[4,5-g][3]benzazepin-8-ium-9-yl)-1,3-benzodioxole-5-carboxylate	0.1440	2.0505	0.1223	1.6832
methyl 6-O-galloyl-beta-d-glucopyranoside	1.4275	0.0124	2.4291	0.1309
Methyl alpha-linolenyl fluorophosphonate	0.5655	0.1841	3.1116	0.1388
Methylatropine nitrate	0.1094	1.1200	0.1158	2.6547
Methyl beta-D-galactopyranoside	1.2557	0.1873	0.0586	2.4985
methylgallic acid-O-sulphate	0.0818	2.4616	0.0436	1.4129
Methylmalonic acid	1.8385	0.8632	0.4596	0.8386
Methyl nigakinone	1.0375	0.0343	0.0816	2.8465
Methylpicraquassioside A	0.2388	1.1353	0.2932	2.3327
Methylprednisolone acetate	0.4571	0.0475	3.4597	0.0357
Methylprednisolone hemisuccinate	1.1480	0.6817	1.5835	0.5867
Methylprednisolone sodium succinate	0.0544	0.7340	0.1360	3.0756
Methyl(Z)-5-(5-methyl-2-thienyl)-2-penten-4-ynoate	2.8170	0.5522	0.2513	0.3795
Met-Ile	0.0037	2.1723	0.0017	1.8223
Metixene	1.9627	0.0225	1.9725	0.0423
Met-Met	0.5331	0.0602	3.3519	0.0547
Met-Nap-OH	0.0367	1.9920	0.0210	1.9503
Met-Phe4Cl-OH	0.0471	2.8499	0.0159	1.0871
Met-Pro-Tyr	1.5401	0.0919	2.1482	0.2197
Metrafenone	0.0758	1.9196	0.0284	1.9762
Metronidazole benzoate	0.1864	1.7147	0.2514	1.8475
Metsulfovax	2.5882	0.3498	0.8517	0.2103
Metsulfuron-methyl	1.1444	0.7952	1.5633	0.4971
Met-Thr	0.2240	0.7372	1.7967	1.2421
Met-Thr-Met	0.0440	2.3063	0.0230	1.6268
Met-Trp	0.0100	2.1965	0.0023	1.7911
Met-Trp-Met	2.0089	0.4142	0.6451	0.9318
Met-Tyr	0.1965	2.0683	0.3302	1.4050
Met-TyrMe-OH	0.2103	2.1451	0.1000	1.5445
Mevalonate	1.9960	0.1896	1.4890	0.3254
Mevalonate 5-phosphate	0.0577	3.0064	0.0289	0.9069
Mevalonic acid	1.8145	0.0191	2.1436	0.0228
Mexicanin E	0.7993	0.3118	2.5244	0.3646
Midodrine	0.0393	2.0872	0.2877	1.5859
Mirabegron	1.8585	0.0813	1.9385	0.1217
Mitoglitazone	0.0427	2.0472	0.3484	1.5617
Mitomycin	2.6195	0.1960	1.1221	0.0624
Miyabenol C	0.0808	3.0836	0.0889	0.7467
MK-2206	0.1366	1.0064	0.0332	2.8238
MK886 sodium	0.0653	2.7417	0.0327	1.1604
Modafinil Acid	0.1134	1.4192	0.1297	2.3377
Moexipril	0.8180	0.3735	1.4182	1.3903
Moguisteine	0.7370	1.7965	0.3770	1.0895
Molidustat	1.0941	0.4084	1.7318	0.7658
mollicellin F	0.7701	1.2072	0.4308	1.5919
Mollicellin I	2.0642	0.0568	1.7958	0.0832
Mollicellin J	0.4688	1.3927	1.1514	0.9871
Mometasone furoate	0.0319	1.3036	0.0043	2.6602
Momordol	1.1140	0.8257	1.1887	0.8716
Monoglyceride citrate	1.5702	0.2332	1.5480	0.6487
Mono(methylsulfanyl)gliotoxin	0.1488	1.9494	0.1021	1.7997
Montelukast sulfoxide	0.1506	1.9001	0.1113	1.8380
Moracetin	1.5776	0.4537	1.1620	0.8066
Morphine(1+)	1.2417	1.0821	0.7318	0.9443
Morphine-6-glucuronide	2.8875	0.2128	0.6707	0.2290
Morpholine, 4-(3,4,5-trimethoxybenzoyl)-thio-	0.0492	2.2430	0.0591	1.6487
Mosapride	1.2217	0.8815	1.1879	0.7090
Mosapride citrate	2.6078	0.1406	1.2194	0.0322
Mosapride citrate dihydrate	0.1504	0.1144	3.6566	0.0786
Moxifloxacin hydrochloride	0.0997	1.9664	0.5328	1.4010
Mucronine B	1.7811	0.0938	1.9332	0.1919
Mulberrofuran M	0.2332	2.0650	0.0593	1.6425
Mulberrofuran P	1.8396	0.2929	1.6963	0.1712
Mulberrofuran Q	0.2527	1.7263	0.0796	1.9414
Mulberroside A	0.2655	3.1292	0.1825	0.4229
Musca-aurin-II	1.5529	0.1886	2.0208	0.2377
Muscapurpurin	2.5261	0.5341	0.7188	0.2210
Musizin glucoside, 6-hydroxy	1.0505	1.1769	0.5658	1.2067
mycinamicin VI(1+)	1.9947	0.4408	1.5043	0.0602
Mycocyclosin	1.2527	1.3148	0.2921	1.1405
Myoseverin	0.9206	0.1294	2.7367	0.2134
Myricatin	0.9873	1.1281	1.3200	0.5646
Myricetin 3,3^-digalactoside	0.0255	1.4676	0.1357	2.3712
Myricetin 3-(6-acetylgalactoside)	0.0135	1.8937	0.0460	2.0468
Myricetin 3-arabinoside	0.7134	1.7847	0.3245	1.1775
Myricetin 3-galactoside	1.2334	0.0022	2.7229	0.0415
Myricetin 3-glucoside	0.0230	2.0279	0.0156	1.9334
Myricetin-3-O-(6^^-malony)glucoside	0.4710	0.0232	3.2211	0.2848
Myricetin 3-O-beta-D-galactoside 6^^-O-gallate	0.6956	2.6817	0.2313	0.3913
Myricetin 7-rhamnoside	0.0054	2.0917	0.0195	1.8834
Myricitrin	0.9300	0.6011	1.9483	0.5205
N~1~-Hydroxy-N~8~-(4-iodophenyl)octanediamide	0.9010	0.1125	2.8365	0.1500
N(1),N(12)-diacetylsperminium(2+)	1.2002	0.3619	1.3857	1.0523
N(1),N(8)-bis(sinapoyl)-spermidine	0.6957	0.1060	3.1100	0.0882
N-(2,2,2-Trifluoroethyl)-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide	0.9323	0.1574	2.8135	0.0968
N2-(2-((4-(2,4-Dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl)amino)ethyl)-5-nitropyridine-2,6-diamine	1.0569	0.5547	0.0927	2.2957
n-(2-(4-Chloroanilino)-1-methyl-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide	2.1848	0.7999	0.4956	0.5197
N-(2,5-dioxopyrrolidin-1-yl)-4-nitrobenzamide	0.0132	1.2665	0.0057	2.7146
N-(2-aminoethyl)isoquinoline-5-sulfonamide	1.9438	0.4988	1.1169	0.4405
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-nitrophenoxy)acetamide	0.0783	1.7150	0.0535	2.1532
n-(2-Chloroacetyl)glycine	0.0412	2.0594	0.0208	1.8786
N-(2-Cyclohexyloxy-4-nitrophenyl)methanesulfonamide	0.1819	1.1665	0.0774	2.5743
N-(2-fluoro-5-nitrophenyl)benzamide	0.0899	2.4027	0.0345	1.4729
N-(2-fluorophenyl)-2-phenoxypropanamide	0.1384	1.8131	0.1528	1.8958
N-(2-Fluorophenyl)-3-(4-morpholinyl)propanamide	0.9210	1.3264	0.2878	1.4649
N2-Methylfangchinoline	1.3900	0.4743	1.6171	0.5186
N2,N2-Dimethylguanosine	2.7421	0.0920	1.0471	0.1188
N-(2-Phenylethyl)indomethacin Amide	0.7888	1.2196	0.5305	1.4611
N-(3-(2-Amino-1H-imidazole-4-yl)propyl)-2^-hydroxy-3^,5^-dibromo-4^-methoxyspiro[isoxazole-5(4H),1^-cyclohexane]-3^,5^-diene-3-carboxamide	0.9575	1.6688	0.1086	1.2651
N-(3-((4aS,7aS)-2-amino-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-7a-yl)-4-fluorophenyl)-5-fluoropicolinamide	0.1514	3.0668	0.1860	0.5958
N3-(4-fluorophenyl)-1h-pyrazolo[3,4-d]pyrimidine-3,4-diamine	1.5326	0.0192	2.4033	0.0449
N-[3-[[5-Iodo-4-[[3-[(2-thienylcarbonyl)amino]propyl]amino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide	0.0659	1.7642	0.0378	2.1321
N3^-Acetyltobramycin	1.0396	0.0491	2.8691	0.0423
N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine	1.0792	0.8969	1.1231	0.9008
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-iodophenyl)methanesulfonamide	1.4404	0.5691	1.4287	0.5618
N-(3-Chlorophenyl)-6,7-dimethoxyquinazolin-4-amine	0.0428	2.0958	0.0449	1.8164
N-((3-Ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)methyl)-N-phenylacetamide	1.0441	0.6187	1.5024	0.8348
N-(3-phenylpropyl)quinazolin-4-amine	0.9926	2.3290	0.3011	0.3773
N-3-Pyridinyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-1-piperidinecarboxamide	0.1064	0.8583	0.0463	2.9890
N-[4-(2-pyridinyl)-2-thiazolyl]cyclopentanecarboxamide	0.7074	0.6196	2.0296	0.6434
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide	2.2549	0.2320	1.2705	0.2426
N-(4,6-dimethyl-2-pyridinyl)-3-nitrobenzamide	0.0517	2.0427	0.1222	1.7835
N-(4-Acetamidophenyl)indomethacin Amide	0.2979	1.5080	0.8915	1.3026
N-((4-(Acetylamino)phenyl)sulphonyl)acetamide	1.4992	0.0126	2.4617	0.0264
N(4)-Acetylsulfadiazine	0.3284	2.0205	0.0608	1.5904
N(4)-Acetylsulfamethazine	2.6334	0.0200	1.3320	0.0145
N-[4-amino-3-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-methoxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide	0.0247	1.7976	0.1885	1.9893
N-(4-bromo-2-fluorophenyl)-2-(4-isopropylphenoxy)acetamide	1.8068	0.3714	1.5337	0.2881
N-[(4-Chlorophenyl)methyl]-N-ethyl-2-pyridinamine	0.0055	0.7031	0.0064	3.2851
N-(4-chlorophenyl)-N^-[4-(dimethylamino)phenyl]urea	0.4308	2.1757	0.2044	1.1891
N-(4-coumaroyl)-L-homoserine lactone	0.6120	1.1833	0.8730	1.3317
N-[4-(ethylsulfonylamino)phenyl]ethanesulfonamide	0.1166	1.7282	0.1151	2.0401
N-(4-iodophenyl)-3-oxobutanamide	0.9326	2.3127	0.3245	0.4302
n-[4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-3-pyridinecarboxamide	0.2489	0.5700	0.1598	3.0213
N-[(4-methylcyclohexyl)carbonyl]methionine	1.0837	0.3449	2.2736	0.2978
N-(4-oxo-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide	1.4131	0.5638	0.7987	1.2244
N-Acetyglutamic acid	1.0736	0.4080	2.3070	0.2114
N-Acetyl-1-aspartylglutamic acid	3.1718	0.1313	0.4552	0.2417
N^-acetyl-3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide	1.7171	0.0612	2.1556	0.0661
N-Acetyl-D-glucosamine 6-phosphate	1.0734	0.6762	0.0883	2.1620
N-acetyl-L-2-aminoadipic acid 6-phosphate	0.2944	0.2425	0.0417	3.4214
N-Acetyl-L-glutamate 5-semialdehyde	0.9067	1.4446	1.1091	0.5397
N-Acetyl-L-glutamic acid	0.7943	0.5222	2.5748	0.1087
N-Acetyl-L-phenylalanine	0.8963	0.9434	1.1506	1.0097
N-Acetyl-L-tryptophanamide	2.2409	0.5878	0.5429	0.6285
N-acetylmuramic acid 6-phosphate	1.2603	1.8704	0.1919	0.6774
N-Acetyl-N6,O-didemethylpuromycin-5^-phosphate	2.2963	0.0778	1.4777	0.1482
N-Acetylneuraminic Acid Dimer	2.2648	0.0414	1.6645	0.0293
N-Acetyl-O-demethylpuromycin-5^-phosphate	0.1059	0.6126	0.0585	3.2231
N-acetylphosphinothricyl-L-alanyl-L-leucine	0.3688	0.0142	1.1181	2.4989
N-Acetylproline	1.0215	1.0874	0.9226	0.9685
N-Acetylvaline	2.1600	0.1801	1.4256	0.2343
NAD+	0.0643	1.4377	0.0112	2.4868
N-(Adamantan-1-yl)-1-(5-fluoropentyl)-1H-indole-3-carboxamide	1.0051	0.2052	2.1610	0.6287
NADPH(4-)	1.4241	0.6673	0.3492	1.5594
NADP nicotinamide-adenine-dinucleotide phosphate	0.1579	1.2423	0.1406	2.4593
Nafamostat	1.3988	0.0184	2.5141	0.0687
Nafcillin sodium monohydrate	2.2631	0.0535	1.6286	0.0548
Na-Hexanoyl-Nb-inosityltryptophan	2.6777	0.6250	0.5171	0.1802
Nap-Abu-OH	0.0476	1.9717	0.0347	1.9460
Nap-Ala-OH	0.8706	0.8537	0.9190	1.3568
Nap-Asp-OH	2.8048	0.2049	0.6946	0.2957
Nap-Gly-OH	0.0222	2.0237	0.0122	1.9420
Nap-HoPhe-OH	0.1780	3.5334	0.1275	0.1611
Naphtho[1^,2^,3^:4,5]quino[2,1-b]quinazoline-5,10-dione	2.8322	0.1875	0.8146	0.1657
Naphthofluorescein	0.3981	1.4116	0.1352	2.0550
Naphthyl-2-methyl-succinic acid	1.5314	0.2707	1.8647	0.3332
Naphthyl glucuronide	1.9177	0.0188	2.0290	0.0345
Naphthylmercaptobenzoquinone	0.2414	1.8860	0.0908	1.7818
Nap-Met-OH	0.6012	1.3364	0.2976	1.7648
Nap-Nap-OH	1.3650	0.5158	1.3659	0.7532
Nap-Phe4Cl-OH	0.2817	1.6210	0.2136	1.8837
Nap-Phe-OH	1.9553	0.0406	1.8981	0.1059
Naproxen sodium	0.6495	0.0345	3.2500	0.0660
Nap-Ser-OH	0.1109	1.9012	0.1730	1.8149
Nap-Tyr-OH	1.5126	0.9702	1.1778	0.3394
Naringenin 7-0-glucoside	0.1786	1.7206	0.0449	2.0558
Naringenin-7-O--D-Glucuronide	1.5701	0.1174	2.0156	0.2968
Naringenin-7-O-glucoside	1.7263	0.2941	1.8138	0.1658
Naringin	0.3575	2.5170	0.1919	0.9337
Naringin dihydrochalcone	0.1096	2.0122	0.0190	1.8592
Nbd-ceramide	1.3075	0.0862	2.5478	0.0585
N-(benzenesulfonyl)-2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetamide	0.1300	1.7513	0.1577	1.9610
N-benzyl-1-(5-fluoropentyl)-1H-indole-3-carboxamide	1.6958	0.0637	2.1827	0.0578
N-Boc-4-(4-Toluenesulfonyloxymethyl)piperidine	1.2796	0.5529	1.2874	0.8802
N-butyl-1,1-dioxo-1,2-benzothiazol-3-amine	0.7850	0.0551	3.0790	0.0809
N-butyl-3,5-dinitrobenzamide	0.3880	1.2855	0.4378	1.8887
N-Butylbenzenesulfonamide	0.1213	1.4696	0.1101	2.2990
NCGC00169728-02_C16H22N2O4_N-Acetylphenylalanylvaline	2.1132	0.0768	1.7016	0.1085
NCGC00179726-03_C40H44O22_1,4-Ethanonaphthalene-5,10-dicarboxylic acid, 1,4,4a,5,6,8a-hexahydro-5,10-dihydroxy-6,9-dioxo-, bis[[2-(beta-D-glucopyranosyloxy)-3-hydroxyphenyl]methyl] ester	0.5882	1.3130	0.9577	1.1411
NCGC00347668-02_C37H50O21_(1aS,2S,6S,6aS)-6-({6-Deoxy-3-O-(beta-D-glucopyranosyl)-4-O-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside	1.0847	1.5594	0.4522	0.9037
NCGC00380205-01_C27H35ClN4O6_2(6H)-Isoquinolineacetic acid, 7-(acetyloxy)-alpha-[3-[(aminoiminomethyl)amino]propyl]-5-chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7,8-dihydro-7-methyl-6,8-dioxo-	1.8582	0.0381	2.0471	0.0566
NCGC00380334-01_C34H42O18_beta-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-6-[[3-O-acetyl-6-deoxy-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-alpha-L-mannopyranosyl]oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl, 2-acetate	1.0840	0.1647	2.5780	0.1734
NCGC00380575-01_C49H78O18_Olean-12-en-28-oic acid, 23-hydroxy-3-[[O-pentopyranosyl-(1->3)-O--6-deoxyhexopyranosyl-(1->4)-6-O-acetylhexopyranosyl]oxy]-, (3beta,5xi,9xi)-	1.7028	0.3410	1.5768	0.3795
NCGC00380579-01_C33H42O17_4-(beta-D-Glucopyranosyloxy)benzyl 3-(beta-D-glucopyranosyloxy)-2-{[(2Z)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}-3-methylbutanoate	0.2096	1.1469	0.0602	2.5833
NCGC00380713-01_C21H35NO6S_Cysteine, S-[(6E,9E)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-2-oxooxacyclotetradeca-6,9-dien-4-yl]-	1.7819	0.3842	1.4933	0.3406
NCGC00380744-01_C22H32O11_beta-D-Glucopyranoside, 4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl 6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-	0.1418	2.0135	0.0575	1.7873
NCGC00380842-01_C42H54O25_3-{5-(3,4-Dihydroxy-4-methyl-5-oxotetrahydro-2-furanyl)-2-[(6-O-{3-[5-(3,4-dihydroxy-4-methyl-5-oxotetrahydro-2-furanyl)-2-(beta-D-glucopyranosyloxy)-4-methoxyphenyl]propanoyl}-beta-D-glucopyranosyl)oxy]-4-methoxyphenyl}propanoic acid	0.0419	1.9635	0.0786	1.9160
NCGC00380994-01_C21H30O12_4-Acetyl-2-methoxyphenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside	0.7160	1.5796	0.3060	1.3985
NCGC00381061-01_C30H51N5O9_Pyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone, 16-(2,3-dihydroxypropyl)dodecahydro-5,8,9,21-tetramethyl-6-(1-methylethyl)-3-(1-methylpropyl)-	1.3126	0.3099	2.2482	0.1294
NCGC00381101-01_C22H40O11_(3E)-7-Hydroxy-3,7-dimethyl-3-octen-1-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside	0.9081	0.0685	2.8997	0.1238
NCGC00381209-01_C34H36O11_5,6-Bis(benzoyloxy)-3,4a,10a-trihydroxy-4,7,11b-trimethyl-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-4-carboxylic acid	1.1238	0.0437	2.8013	0.0311
NCGC00384622-01_C34H42O14_(1S,2S,4S,5R,6R,7S,9R,12R)-12-Acetoxy-6-(acetoxymethyl)-2-hydroxy-2,10,10-trimethyl-5-[(2-methylbutanoyl)oxy]-11-oxatricyclo[7.2.1.0~1,6~]dodecane-4,7-diyl di(3-furoate)	0.1531	1.9768	0.0588	1.8114
NCGC00384623-01_C34H36O15_(1S,2S,4S,5R,6R,7S,9R,12R)-12-Acetoxy-6-(acetoxymethyl)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0~1,6~]dodecane-4,5,7-triyl tri(3-furoate)	0.9627	0.7154	1.5053	0.8166
NCGC00384750-01_C20H28O14_alpha-D-Glucopyranoside, beta-L-fructofuranosyl, 6-(4-hydroxy-3-methoxybenzoate)	0.1685	0.4188	0.2703	3.1424
NCGC00384853-01_C39H62O16_20-Oxopregn-16-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranoside	0.8257	0.0382	3.1136	0.0225
NCGC00384912-01_C38H61NO9_(3beta,9xi,16alpha)-3-[(2-Acetamido-2-deoxy-beta-D-glucopyranosyl)oxy]-16-hydroxyolean-12-en-28-oic acid	0.0251	1.8439	0.0905	2.0405
NCGC00385325-01_C36H54O13_Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-xylo-hexopyranosyl)oxy]-14-hydroxy-19-oxo-, (3beta,5alpha,17alpha)-	0.0070	1.8671	0.0597	2.0662
NCGC00385486-01_C25H34O5_2-Butenoic acid, 2-methyl-, (2R,3R,5R)-2,6,6,9-tetramethyl-11-oxotricyclo[5.4.0.0~2,8~]undec-9-ene-3,5-diyl ester, (2Z,2^Z)-	0.3729	0.4643	2.7633	0.3994
NCGC00385507-01_C14H17NO9_(2S)-7-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside	0.0534	1.8263	0.0651	2.0552
N-Cyclohexyl 4-(4-bromopyrazol-1-YL)benzenesulfonamide	2.3572	0.3665	0.2513	1.0250
N-debutylhalofantrine	1.1210	1.3364	0.0561	1.4865
N-(docosanoyl)-1-beta-glucosyl-sphinganine	1.8537	0.3922	1.0853	0.6689
N-dodecanoyl-L-Homoserine lactone-3-hydrazone-biotin	0.0126	1.6843	0.0547	2.2483
N-dodecanoyl-L-Homoserine lactone-3-hydrazone-fluorescein	0.0301	2.1107	0.0347	1.8245
Nelumboside	1.7769	0.0179	2.1975	0.0077
Neoacrimarine B	1.1037	0.2161	2.3563	0.3239
Neoagarotetraose	0.6710	1.4481	0.4882	1.3927
Neobignonoside	0.4179	1.6521	0.1388	1.7912
neocarratetraose 4-O-sulfate	0.9215	0.0513	2.9728	0.0544
Neochlorogenic acid	0.8985	1.1101	0.2011	1.7903
Neocretanin	3.0329	0.1086	0.8152	0.0433
Neoliquiritin 2^^-apioside	2.0774	0.1842	1.3459	0.3926
Neosilyhermin A	0.0760	1.7528	0.1065	2.0648
Neosperidin dihydrochalcone	0.0773	2.6503	0.0890	1.1833
Nepitrin	1.5903	0.4739	1.4270	0.5088
Nepodin	0.0162	2.2861	0.0068	1.6909
N-ethylene glycol neuraminic acid	0.5811	0.6848	1.9708	0.7633
N-Ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycine	1.6373	0.3088	1.8046	0.2493
Neu5Gc2-3Gal1-4GlcSp	2.6330	0.1706	0.7580	0.4384
Neurodazine	0.4661	2.6229	0.3380	0.5729
Neurotensin (8-13)	2.1889	0.1317	1.5830	0.0964
Nevirapine	0.7019	0.0175	3.1661	0.1145
N-Formylmethionine	0.0256	2.0988	0.0259	1.8497
N-(Hydrocinchonidin-8^-yl)-4-azido-2-hydroxybenzamide	0.0415	1.9950	0.0420	1.9215
N-hydroxy-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide	0.6235	1.4686	0.4089	1.4990
N-hydroxy-L-valinate	2.2816	1.1008	0.2015	0.4161
N-Hydroxyphthalimide	1.6330	0.3389	1.4646	0.5635
Niaziminin A	0.7173	0.0933	3.0904	0.0990
Nicergoline	0.7240	1.5832	1.3277	0.3651
Nicotinamide-Adenine-Dinucleotide	0.7669	1.6188	0.2393	1.3750
Nicotinic acid adenine dinucleotide	3.1014	0.1022	0.5657	0.2307
Nicotinuric acid	0.1903	0.0191	3.7659	0.0247
Nifenazone	2.9496	0.0709	0.7987	0.1808
Nigakinone	0.3383	2.3661	0.1596	1.1361
Nigerone	1.9618	0.1648	1.6077	0.2657
Nitenpyram	0.0388	0.5632	0.0344	3.3635
Nitrazepam	1.5176	0.2813	1.8006	0.4006
Nitrofurazone	1.3791	1.3785	0.4425	0.7999
Nitrovin	0.8745	1.8030	0.2394	1.0831
Nitroxoline	0.1376	1.8114	0.2561	1.7948
N-Methylisoleucine	1.8158	0.3684	1.6242	0.1916
N-methyl-L-glutamic Acid	1.5349	0.0967	2.0990	0.2694
N-methyl-L-normetanephrinium	2.1388	0.6474	0.8414	0.3724
N,N^-Bis(g-glutamyl)-3,3^-(1,2-propylenedithio)dialanine	0.2666	2.0353	0.1293	1.5688
N-Nitrosofolic acid	0.5735	1.4759	0.5308	1.4198
N-Nitroso-pyrrolidine	2.8605	0.1084	0.9657	0.0653
N,N,N-Trimethyl-Histidine	1.6360	0.0326	2.2976	0.0338
Nobiletin	1.0076	0.2579	2.0277	0.7067
Nodakenetin	0.0029	0.9068	0.0038	3.0866
Nomegestrol acetate	1.0807	0.3714	0.4125	2.1355
Nomilin	0.0670	1.6203	0.1129	2.1998
Nomilinic acid 17-glucoside	1.7734	0.1868	1.9601	0.0797
Nonoxynol-9 iodine	0.0201	1.9187	0.0097	2.0515
Norartocarpetin	1.6330	0.5425	0.6353	1.1893
Nordazepam	0.0151	2.9555	0.0300	0.9993
Nordihydrocapsiate	0.8976	0.9210	1.1306	1.0507
Norethindrone acetate	1.0300	1.0886	0.9662	0.9151
Norfludiazepam	2.5492	0.8652	0.2822	0.3034
Norketamine	0.1298	0.5376	0.1021	3.2306
Norlichexanthone	0.2980	1.9974	0.1765	1.5282
Normetanephrine	0.8865	0.1719	0.0490	2.8926
Norstictic acid	0.9280	1.8090	0.1322	1.1308
Norverapamil	1.3655	0.0723	2.3794	0.1828
Norwogonin	0.7717	0.7495	2.1355	0.3434
Notoginsenoside J	1.0319	0.1008	2.7431	0.1242
Novclobiocin 105	0.1118	0.5311	0.0865	3.2706
N-Phthalyl-L-tryptophan	0.1085	2.0376	0.0349	1.8190
N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate	1.0534	0.4443	0.9705	1.5318
N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3-)	0.0983	1.7638	0.0844	2.0535
NSC 23766 trihydrochloride	0.2337	2.1227	1.3611	0.2825
N-tert-butyl-4-fluorobenzenesulfonamide	0.0956	1.8117	0.0339	2.0588
N-tert-Butyl-4-nitro-2-(trifluoromethoxy)aniline	2.0066	0.1050	1.7917	0.0968
NTP	1.0339	0.8887	1.1036	0.9738
Nudicauline	0.4448	1.6062	0.1716	1.7775
Nummularine A	0.1985	0.1456	3.4909	0.1650
nutlin-3A	2.2104	0.1859	1.5410	0.0627
Nveahdylaanzew-uhfffaoysa-	2.0912	0.0957	1.6937	0.1195
N-γ-Acetyl-N-2-Formyl-5-Methoxykynurenamine	0.8343	0.9933	0.7593	1.4131
O2-Vinyl 1-(Pyrrolidin-1-yl)diazen-1-ium-1,2-diolate	1.0183	1.6472	0.1040	1.2304
O-b-D-Gal-(1->3)-O-[O-b-D-Gal-(1->4)-2-(acetylamino)-2-deoxy-b-D-Glc-(1->6)]-2-(acetylamino)-2-deoxy- D-Galactose	0.2366	0.2434	0.2617	3.2583
Occidentoside	1.6183	0.7492	0.9221	0.7104
Ochratoxin A	1.0719	0.0394	2.8627	0.0259
Ochratoxin C	0.0934	2.1652	0.0098	1.7316
O-Core1+N	0.0398	0.3273	0.2720	3.3608
Oenin	2.1788	0.1129	1.5701	0.1382
O-Formylcefamandole	2.4109	0.6355	0.5180	0.4357
Oglufanide	2.4722	0.0185	1.4770	0.0323
Olanexidine hydrochloride hydrate	3.1263	0.0523	0.0379	0.7835
(-)-Oleoside 11-methyl ester	0.0553	2.0916	0.0651	1.7880
O-Methylsterigmatocystin	1.4636	0.0035	2.2514	0.2815
Ononin	1.9108	0.3036	1.3435	0.4421
Oolongtheanin	0.0179	0.5381	0.0169	3.4271
O-phospho-D-serine	0.7973	0.5774	1.8416	0.7837
Orientin	0.0083	0.9225	0.0095	3.0598
Orixine	2.5910	0.2359	1.0637	0.1094
Oroxylin A glucoronide	1.1897	1.2906	0.6077	0.9120
Orthosulfamuron	0.9053	1.2106	0.6070	1.2771
Osimertinib	1.0798	0.1329	2.7047	0.0826
Osmanthuside A	1.0485	0.7274	1.7185	0.5057
Osmanthuside H	0.6876	1.3184	0.3541	1.6398
Osthenol	0.1171	2.8329	0.0390	1.0110
(+)-Ostodin	1.1217	0.2131	2.3822	0.2830
o-Tyrosine	0.4605	0.9502	0.6359	1.9533
Oxadiazon	0.1800	0.6631	0.0444	3.1125
Oxalacetic acid	0.9755	1.5125	0.5227	0.9893
Oxalate	2.4343	0.0820	1.4190	0.0646
Oxamflatin	1.7304	0.4298	0.8036	1.0361
Oxazepam	1.2616	0.6056	1.6374	0.4954
Oxazepam glucuronide	0.7524	0.1907	2.9332	0.1236
OxIAA-Asp-N-Glc-Glc	0.0745	1.8649	0.0415	2.0191
Oxiconazole	1.6755	0.0593	1.9991	0.2661
oxidized coenzyme F420-1	2.6896	0.1233	1.1171	0.0700
Oxiglutatione	2.8325	0.0221	1.1068	0.0386
Oxoadipic acid	0.7609	0.4787	1.7517	1.0087
Oxoglutaric acid	1.6520	0.6191	1.2922	0.4366
Oxonantenine	0.4865	2.0110	0.0752	1.4273
Oxybutynin chloride	0.2061	2.1428	0.1104	1.5407
Oxycanthine	0.7166	0.4224	2.6206	0.2404
Oxyfluorfen	0.0151	2.2188	0.0237	1.7425
Oxymetazoline hydrochloride	1.4390	0.1008	2.3759	0.0843
Oxyphenbutazone	1.7362	0.1551	1.8722	0.2365
Oxypurinol	1.1682	1.2109	0.8097	0.8111
Oxyresveratrol	1.7567	0.0528	2.1109	0.0797
P60c-src Substrate II	0.4382	0.2124	3.1350	0.2144
P60c-src Substrate II,Phosphorylated	0.1009	1.5438	0.2207	2.1347
Paederoside	0.4019	1.6353	0.2438	1.7191
Pallidol 3,3^^-diglucoside	0.0843	2.7774	0.0929	1.0454
Palmatine chloride	2.0033	0.0411	1.9259	0.0297
Palmatoside G	2.9504	0.1844	0.7375	0.1277
Palmidin A	1.5656	0.3803	1.5840	0.4700
Palmidin B	0.1043	2.2226	0.0152	1.6579
Pamoic acid	0.8774	1.3510	1.1804	0.5912
Panasenoside	1.1801	1.7840	0.3463	0.6895
Pantoic acid	2.1237	0.2856	0.9227	0.6680
Pantotheine-4^-phosphate	1.0226	0.3471	2.0701	0.5603
Paratensiol	0.0373	3.3819	0.0293	0.5515
Parecoxib	0.0057	3.5856	0.0047	0.4040
Patellamide C	0.8817	0.1673	2.8591	0.0918
Patuletin 3-gentiobioside	1.1094	0.8958	0.6486	1.3462
Pavoninin-1	1.0930	0.4163	1.8549	0.6358
Pazufloxacin	0.1287	1.8034	0.0472	2.0207
PC(18:0/22:5(4Z,7Z,10Z,13Z,16Z))	2.3360	0.1677	1.3037	0.1925
PC(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	0.1228	1.8648	0.0125	1.9998
PC(22:4(7Z,10Z,13Z,16Z)/24:0)	2.9447	0.1361	0.0271	0.8921
PC(24:1(15Z)/P-18:1(11Z))	0.3159	2.2467	0.0797	1.3577
PC(DiMe(11,3)/DiMe(13,5))	1.5004	0.3527	1.4457	0.7012
PC(DiMe(11,5)/DiMe(13,5))	0.3872	1.4117	0.2885	1.9126
p-Coumaryl alcohol 4-O-glucoside	0.0399	2.4388	0.0649	1.4564
PDK1 inhibitor AR-12	0.5520	1.3628	0.5253	1.5600
PE(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	1.5579	0.0615	2.3537	0.0269
PE(DiMe(11,3)/DiMe(9,3))	0.7442	2.1652	0.3363	0.7543
Pefloxacin mesylate	0.0062	2.2067	0.0098	1.7772
Pelargonidin	1.3573	0.1445	2.2969	0.2013
Pelargonidin 3-(6-p-coumaroyl)glucoside	1.1150	0.0866	2.7043	0.0941
Pelargonidin 3-glucoside 5-caffeoylglucoside	1.8167	0.2848	0.9834	0.9150
pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-(6-O-malonyl-beta-D-glucoside)	0.5443	1.6052	0.6971	1.1534
Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)	0.7223	1.8242	0.1220	1.3315
Pelargonidin 3-O-rutinoside	0.0876	2.3158	0.0413	1.5553
Pemetrexed	0.0357	2.3989	0.0484	1.5170
Penicillic acid	0.8363	1.9693	0.1942	1.0001
PE-NMe(13D5/13D5)	0.1987	0.2783	0.0429	3.4801
Penoxsulam	1.9231	0.3918	1.4200	0.2652
Pentacarboxylporphyrin I	3.3240	0.1939	0.2426	0.2396
Pentadecanoic acid	1.2526	0.5298	1.3832	0.8344
Pentitol	1.4798	0.0145	2.4859	0.0198
Pentoxifylline	0.8183	1.3446	0.4268	1.4103
Peonidin 3-(6^^-acetylglucoside)	1.5075	0.5101	1.4325	0.5500
Peonidin 3-arabinoside	0.1826	2.7672	0.1793	0.8709
Peroxynitrite	0.0974	0.8023	1.2204	1.8799
Perphenazine maleate	0.6327	1.8490	0.1522	1.3660
Perrotetin F	0.8788	0.2028	2.7863	0.1321
Persenone B	0.9348	0.1214	2.5726	0.3713
Persicogenin 3^-glucoside	0.0225	0.9058	0.0644	3.0073
Persiconin	0.0863	0.8528	0.0534	3.0075
Petalostemumol	0.1071	3.3097	0.0594	0.5238
Petunidin 3-glucoside	0.6812	1.0727	0.5137	1.7325
Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside	0.6053	0.5229	2.6399	0.2319
Pevonedistat	0.6637	0.5453	2.3770	0.4139
PF-04418948	0.2669	1.9439	0.1028	1.6863
PGP(i-12:0/i-12:0)	1.4960	0.0792	2.3314	0.0934
Phaclofen	0.0166	2.1452	0.0004	1.8378
Phe4Cl-Abu-OH	0.0500	2.0542	0.4528	1.4430
Phe4Cl-Ala-OH	0.4097	0.2725	0.0551	3.2627
Phe4Cl-Asp-OH	3.6869	0.0791	0.1840	0.0500
Phe4Cl-His-OH	2.4366	0.4253	0.9059	0.2321
Phe4Cl-Leu-OH	0.9204	1.0402	1.0653	0.9740
Phe4Cl-Met-OH	1.6095	0.0791	2.2851	0.0262
Phe4Cl-Phe4Cl-OH	0.5202	1.6225	0.4249	1.4325
Phe4Cl-Ser-OH	0.2551	1.4918	0.0670	2.1861
Phe4Cl-Thr-OH	2.9741	0.1182	0.8405	0.0673
Phe4Cl-Trp-OH	1.0547	1.0214	0.8462	1.0777
Phe4Cl-TyrMe-OH	0.8062	1.3050	0.5184	1.3704
Phe4Cl-Tyr-OH	0.6683	1.2305	1.1489	0.9523
Phe4Cl-Val-OH	0.4945	1.4269	0.0881	1.9904
Phe-Ala-His	0.9524	0.2411	2.6916	0.1150
Phe-Gln-His	1.4758	0.0363	2.4551	0.0328
Phe-gly	0.9895	2.1810	0.1957	0.6339
Phe-his	1.0014	1.3479	0.3341	1.3166
Phe-Leu-Leu-Val-Phe	0.9483	1.3551	0.1971	1.4995
Phe-Met	0.0172	1.9149	0.0118	2.0561
Phe-Nap-OH	0.1559	2.1353	0.1392	1.5696
Phenazine-1,6-dicarboxylic acid	0.1268	1.9535	0.0158	1.9039
Phenethylamine	0.4789	1.1430	0.5579	1.8202
Phenmetrazine	2.3260	0.0658	1.5599	0.0483
Phenobarbital	0.1315	2.0155	0.2058	1.6472
Phenol glucuronide	0.0427	1.5121	0.2774	2.1677
Phenolphthalein	1.6947	0.5704	1.2127	0.5221
Phenolphthalin	0.5501	1.3763	0.0826	1.9910
Phenoxybenzamine	1.6879	1.4067	0.6885	0.2170
Phenylacetaldehyde	1.9350	0.1119	1.8770	0.0760
Phenylacetic acid	1.4465	0.0103	2.5382	0.0050
phenylacetyl-CoA	0.0428	1.5807	0.0195	2.3570
Phenylalanine	0.3069	1.1236	0.3630	2.2064
Phenylalanylalanylarginine	1.4608	0.4175	1.8210	0.3007
Phenylalanylphenylalanyllysine	0.9666	1.1193	0.7991	1.1150
Phenyl beta-D-glucopyranoside	0.1004	1.8841	0.2172	1.7983
Phenylbutazone	1.4219	0.5401	1.6080	0.4301
Phenylbutyrylglutamine	0.6251	0.0931	3.1791	0.1027
Phenylpyruvic acid	0.9675	0.0156	3.0042	0.0127
Phe-Phe	2.4334	0.1389	1.1704	0.2573
Phe-Phe4Cl-OH	1.5924	0.3929	0.2327	1.7820
Phe-Thr-Lys-Lys	1.2311	0.7327	1.2881	0.7481
Phe-Thr-Tyr-Asp	0.6509	1.4993	0.4121	1.4376
Phe-Trp	3.6969	0.0723	0.0574	0.1734
Phe-Trp-Ser	0.7429	0.2938	2.8727	0.0907
Phe-TyrMe-OH	0.0162	3.0130	0.0342	0.9367
Phe-Tyr-Val-Lys	0.3660	0.3592	0.1704	3.1045
Phe-Val-Arg-Arg	0.7571	1.4423	0.6386	1.1621
Philonotisflavone	2.2233	0.1823	1.3655	0.2289
Phlomuroside	1.2866	0.1124	2.5008	0.1002
Phloretin	0.5325	0.5670	2.3202	0.5802
phloretin 2^-O-glucoside	1.0410	1.2007	0.2374	1.5210
Phloretin-4^-O-(6^^-Feruloyl)glucoside	3.1539	0.0374	0.7967	0.0120
Phlorizin	0.1172	1.6797	0.1155	2.0875
Phlorofucofuroeckol A	1.7272	0.0647	2.0223	0.1858
Phloroglucide	0.4396	1.4635	0.2834	1.8135
Phophatidylethanolamine(48:2)	0.2194	1.3218	0.9957	1.4631
Phorbol acetate, caprate	1.0238	0.3670	2.0632	0.5460
Phorbol caprate, tiglate	0.9619	0.8246	0.9648	1.2487
Phosphatidylinositol-3,4,5-trisphosphate	0.5892	1.5209	0.4875	1.4024
Phosphinomethylmalate	1.1983	0.0700	2.6594	0.0723
Phosphocreatine sodium	1.2675	0.5715	1.6581	0.5029
Phosphonemycin	0.5165	0.3762	2.2585	0.8488
Phrymarolin I	0.9524	0.7348	1.5617	0.7511
Phthalide	3.3101	0.0376	0.5940	0.0583
Phthalocyanine	0.3964	0.5693	1.7590	1.2753
p-Hydroxy rosiglitazone	0.2715	2.7216	0.0531	0.9538
Phyriaporphyrin	0.7612	1.9164	0.0708	1.2516
Physalin I	3.2590	0.0895	0.5819	0.0695
Phytosulfokine a	0.1522	1.9784	0.8510	1.0183
Picein	1.2916	0.3373	0.0688	2.3023
Picrotin	0.8605	1.0981	0.1749	1.8666
Picrotoxinin	0.0218	1.9938	0.0136	1.9708
Piloside B	0.1758	2.2556	0.0378	1.5308
Pimelea factor P2	2.1370	0.0529	1.5767	0.2335
Pimelic acid	2.7654	0.2844	0.8810	0.0691
Pimentol	0.2408	1.3430	0.1572	2.2591
Pindone	0.0378	2.5545	0.0244	1.3833
Pinobanksin 5-[galactosyl-(1->4)-glucoside]	0.1089	1.8353	0.0290	2.0269
Pinocembrin 7-Apiosyl-(1->5)-Apiosyl-(1->2)-Glucoside	0.0503	2.0777	0.0815	1.7905
Pinocembrin 7-rhamnosylglucoside	1.6840	0.0571	2.2043	0.0546
Pinolenic acid	1.4234	0.0520	2.4841	0.0406
Pinostrobin chalcone	0.0364	1.6261	0.0295	2.3080
Pinosylvin	0.0071	2.2575	0.0163	1.7191
Pioglitazone	0.1629	2.7669	0.1338	0.9364
Piperacetazine	0.2665	1.7662	0.4154	1.5520
Piperenol A triacetate	1.3709	0.5540	0.5311	1.5440
Piperenol C	0.0285	2.3701	0.0600	1.5414
Piperonoyl-essigsaure	1.4913	0.4936	1.6192	0.3959
Pirinixic Acid Aminothiazole	0.4639	1.6200	0.1233	1.7928
Pithecolobine	1.0968	0.9196	1.4036	0.5800
Pixantrone dimaleate	0.7402	1.6071	0.3817	1.2710
Plantagoside	1.1824	1.0852	0.4969	1.2356
Plantamajoside	0.0283	1.2205	0.1741	2.5770
Platelet activating factor	0.9106	0.8869	0.9217	1.2808
PLC Thio-PIP2	1.6068	0.2397	2.0290	0.1245
p-Mentha-1-ene-8-yl 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside	0.7750	0.2181	2.8568	0.1501
Podofilox	0.2641	0.0909	3.6192	0.0257
Podorhizol beta-D-glucoside	0.7239	0.6786	2.0897	0.5078
Poly(galactosylglycerol phosphate)	1.2107	1.0755	0.6856	1.0282
Polygalaxanthone III	0.0680	2.8246	0.0443	1.0631
Polyvinyl chloride	0.4196	1.3894	0.4841	1.7069
Poncirin	1.2905	0.5456	1.5279	0.6360
p,p-Bis(1-aziridinyl)-N-(p-tolyl)phosphinic amide	1.3031	1.2183	0.3160	1.1626
Pradimicin A	3.7836	0.0632	0.1149	0.0382
Pramipexole	0.3213	0.2464	2.9443	0.4880
Pravastatin	1.5086	0.0590	2.3660	0.0664
Precorrin-1	1.9978	0.4520	1.3423	0.2079
Precorrin-4	3.1246	0.1239	0.5165	0.2350
Prednisolone 21-all-cis-farnesylate	1.2070	0.5989	1.4253	0.7688
Prednisolone sodium succinate	0.9677	0.0539	2.9238	0.0546
Pregnenolone sulfate	1.1501	0.9048	0.7126	1.2324
Premithramycin A3	1.3149	1.3963	0.4280	0.8608
Premithramycinone	1.0256	0.5068	1.8612	0.6064
prenylated FMNH2	0.1156	1.4775	0.2897	2.1172
Pretomanid	1.3330	1.0256	1.2312	0.4102
Pretyrosine	1.3273	0.0430	2.5966	0.0330
Pridinol	1.2912	0.1342	2.5229	0.0518
Proanthocyanidin A1	2.1179	0.0327	1.8434	0.0060
Proanthocyanidin A2	0.1806	1.8123	0.0546	1.9524
Pro-Asp-Gln	0.2581	1.4139	0.3938	1.9343
Procyanidin A1	0.4252	2.2731	0.1200	1.1817
Procyanidin B1	0.9197	1.4256	0.4747	1.1801
Procyanidin B2	0.2351	1.7867	0.0718	1.9063
Procyanidin B4	0.7888	1.5715	0.2879	1.3519
Procyanidin B-5 3,3^-di-O-gallate	0.0015	1.6767	0.0301	2.2917
Procymidone	2.5602	0.4066	0.1010	0.9321
Prodelphinidin A1	1.2506	0.0783	2.3761	0.2950
Prodelphinidin A2 3^-gallate	0.0972	1.4005	0.0133	2.4890
Prodelphinidin B	1.0669	0.2231	2.3347	0.3754
Pro-Gln-Gly	0.1339	3.5046	0.2081	0.1534
Pro-Glu-Arg-Val-Lys	0.8140	1.4453	0.1412	1.5994
Proglumide	0.7136	0.1981	2.9985	0.0897
Pro-His-Val	2.1300	0.2723	1.4461	0.1516
Prolyl-Histidine	1.7006	0.0987	2.0791	0.1216
Prolylthreonylarginine	0.6273	0.1060	3.1664	0.1004
Promazine hydrochloride	0.2083	1.3760	0.1605	2.2552
Prontosil	1.0435	0.2722	2.2990	0.3853
Propargite	2.2068	0.6205	0.9563	0.2164
propionyl-CoA	2.6035	0.1971	1.0796	0.1199
Propofol	0.3001	0.0863	3.5058	0.1078
Propyl gallate	0.0750	2.0534	0.4670	1.4047
Propylthiouracil N-b-D-glucuronide	1.6950	1.6241	0.2588	0.4221
Proscillaridin	1.7777	0.4037	1.5766	0.2421
Prostaglandin E2 Ethanolamide	0.8928	0.9796	1.0089	1.1187
Protein Kinase Cε Translo Inhibitor Peptide,Negative Control	0.0995	1.9889	0.1142	1.7974
Prothiofos	1.9255	0.2451	1.7189	0.1105
Protocetraric acid	1.8825	0.1225	1.8051	0.1899
Protodeoxyviolaceinate	0.0558	2.5893	0.1065	1.2485
Protoheme	0.6319	1.2191	0.4010	1.7481
Protoporphyrin IX containing ZN	2.0857	0.4207	1.3035	0.1901
Protoporphyrinogen	1.6625	0.0658	2.2228	0.0489
Protosappanin E1	3.1879	0.2131	0.4138	0.1852
Pro-Val-Glu-Thr-Leu	2.3721	0.0517	1.4074	0.1688
Pro-Val-Thr	1.5805	0.1242	2.2018	0.0935
Prulifloxacin	3.1231	0.1657	0.1303	0.5809
Prunus inhibitor b	2.3096	0.4336	0.8346	0.4223
PS(16:1(9Z)/22:2(13Z,16Z))	1.7204	0.1161	2.0898	0.0736
Pseudobaptigenin	0.7348	2.1785	0.1683	0.9184
Pseudolaric acid B-O-beta-D-glucopyranoside	1.3828	0.0256	2.5445	0.0471
Pseudouridine 5^-phosphate	0.7118	1.2251	0.4274	1.6357
psi-Rhodomyrtoxin	1.3478	0.1209	2.4748	0.0565
Psoralen	0.9270	1.5431	0.4566	1.0732
Psychosine sulfate	0.8426	1.2788	0.9390	0.9396
PtdIns-(3,4,5)-P3(1,2-dioctanoyl)	0.0038	0.7387	0.0058	3.2516
PtdIns-(3,4)-P2(1,2-dihexanoyl)	1.1603	1.1605	0.8826	0.7966
PtdIns-(4,5)-P2(1,2-dihexanoyl)	0.9657	0.3865	2.2318	0.4160
PtdIns-(4)-P1 (1,2-dihexanoyl)	0.1988	0.4487	0.0356	3.3169
PtdIns-(4)-P1(1,2-dihexanoyl)	0.0367	2.3690	0.0357	1.5586
PtdIns-(5)-P1(1,2-dihexanoyl)(sodium salt)	0.0630	0.6599	0.0420	3.2352
Pteridine	0.4846	1.4694	0.6629	1.3831
Pterin	1.1083	0.0291	2.8390	0.0237
Pterin H B2	0.1255	1.8423	0.1103	1.9219
Pterostilbene	0.1483	2.2339	0.2156	1.4022
Pterostilbene Phosphate	0.1752	1.5548	0.1014	2.1685
Pulcherriminic acid	2.3363	0.4054	0.9033	0.3550
Purine, 6-(o-nitrobenzylthio)-	0.1824	2.8149	0.5077	0.4950
PX-478 free base	1.0617	0.5355	1.3310	1.0717
Pyrantel pamoate	0.7482	0.0543	3.1295	0.0680
Pyrasulfotole	0.9938	1.3113	0.7061	0.9888
Pyrazolynate	0.1022	2.2089	0.0221	1.6668
Pyrazosulfuron-ethyl	1.2825	0.8807	1.0546	0.7822
Pyridoxal 5^-phosphate(2-)	0.8490	0.0845	2.9841	0.0824
Pyridoxal phosphate	1.7498	0.0254	2.1938	0.0311
Pyridoxamine phosphate	0.0526	1.7501	0.0142	2.1831
Pyrocatechol	0.3153	2.2699	0.0273	1.3875
Pyrochlorophyllide	0.0347	2.0749	0.0667	1.8236
Pyroglutamic acid	1.4336	0.5558	1.4647	0.5459
Pyronine Y	2.2815	0.6006	0.4850	0.6329
Pyrrolidine-1-carboximidamide	1.3271	0.0918	2.2604	0.3207
Pyrrolidino PAF C-16	0.9767	0.9326	1.0546	1.0361
Pyrrolnitrin	1.3585	1.0116	0.9559	0.6740
Pyrroloquinoline quinol	0.0160	2.9265	0.0302	1.0272
Pyrroloquinoline quinone	0.5296	1.6398	0.4408	1.3899
Pyruvic acid	1.8286	0.4501	1.4250	0.2963
Quercetin 3-(2-feruloylsophoroside) 7-glucoside	0.5633	0.1515	2.9762	0.3090
Quercetin 3-(2-galloylglucoside)	0.0875	1.6636	0.0702	2.1787
Quercetin 3-(2G-xylosylrutinoside)	1.7099	0.0579	2.1543	0.0779
Quercetin 3-(3^^,6^^-di-p-coumarylglucoside)	3.5696	0.0870	0.2002	0.1432
quercetin 3,5-O-diglucoside	0.0118	2.2717	0.0013	1.7152
Quercetin-3-D-xyloside	0.1668	2.1707	0.1093	1.5531
Quercetin-3-gentiotetraside	0.0124	1.5548	0.0032	2.4296
Quercetin-3^-glucuronide	1.9108	0.1270	1.9022	0.0600
Quercetin-3-O-(2^^-malonyl)sophoroside-7-O-arabinoside	0.8244	0.8331	2.1315	0.2109
"quercetin 3-O-(3^,6""""-O-di-p-coumaroyl)-glucoside"	1.6679	1.1422	0.1636	1.0263
"quercetin 3-O-(3""""-O-p-coumaroyl, 6""""-O-feruloyl)-glucoside"	0.0439	2.7312	0.0129	1.2120
Quercetin 3-O-(6^^-acetyl-glucoside)	0.5469	0.4577	1.9917	1.0037
"Quercetin 3-O-(6""""-malonyl-glucoside) 7-O-glucoside"	1.2500	1.0526	1.2896	0.4078
Quercetin-3-O-(6^^-sinapoyl)glucoside-7-O-(6^^-malonyl)glucoside	3.3162	0.0508	0.5980	0.0350
quercetin 3-O-gentiobioside-7-O-rhamnoside	1.2957	0.0226	2.6276	0.0542
quercetin 3-O-glucuronide	1.5302	0.0380	2.4058	0.0260
Quercetin-3-O-sophorotrioside-7-O-arabinoside	3.2178	0.0972	0.6532	0.0318
Quercetin 3-xylosyl-(1->2)-alpha-L-arabinofuranoside	0.3513	1.2756	1.2820	1.0911
Quercetin 7-glucuronoside 3-sophoroside	1.4603	0.0575	2.4188	0.0634
Quercetin 7-methyl ether 3,3^-disulfate	0.6963	1.9301	0.0429	1.3306
Quercetin 7-(rhamnosylglucoside)	0.0410	1.7817	0.0155	2.1618
Quercetin 7-xyloside	1.6541	0.3135	1.7994	0.2330
Quercitrin	1.6486	0.2604	1.9160	0.1750
Quinacridone	0.2173	1.5198	0.0727	2.1902
Quinacrine dihydrochloride dihydrate	0.2849	0.7337	2.6188	0.3626
Quinoline Yellow	1.4629	1.5626	0.2230	0.7515
Quizalofop-P-tefuryl	0.6877	2.1039	0.5098	0.6986
(R)-1-O-b-D-glucopyranosyl-1,3-octanediol	1.5654	0.0826	2.2309	0.1210
(R)-1-(tert-Butoxycarbonyl)-2-(4-fluorobenzyl)pyrrolidine-2-carboxylic acid	1.5085	0.3139	1.8688	0.3088
(R)-2,3-Dihydroxy-3-methylvalerate	1.5265	0.8418	0.6930	0.9387
(R)-3-hydroxyoctanoyl-CoA(4-)	0.0948	2.3789	0.1031	1.4233
R788 disodium	0.2031	1.8498	0.1071	1.8399
Rabdosiin	1.8360	1.3143	0.4749	0.3747
Rabeprazole sodium	0.2961	1.7220	0.1804	1.8015
Raclopride	0.6832	1.5320	0.3297	1.4550
rac-trans-Sertraline	1.7396	0.1668	1.9986	0.0950
Radicinin	0.7322	0.1601	2.7044	0.4033
Ramatroban	1.0001	1.3656	0.3735	1.2608
Ranitidine hydrochloride	2.1512	0.1603	1.4962	0.1923
Rebeccamycin	0.1541	2.3292	0.1337	1.3829
Rebeprazole sulfone N-oxide	1.7790	0.3138	1.7296	0.1776
Red Violet 2RN Acid Anthraquinone	1.4981	0.8175	0.7170	0.9674
Regelidine	1.2004	1.6805	0.3163	0.8027
Regorafenib	0.0308	1.5370	0.0427	2.3895
Relugolix	0.0753	0.0498	3.8329	0.0420
Repaglinide aromatic amine	1.4368	0.0647	2.4404	0.0580
Reserpine	0.3059	0.1265	3.4968	0.0708
Resolvin D1	1.2733	0.0203	2.6830	0.0235
Resorcinolnaphthalein	3.0612	0.1585	0.7229	0.0574
Resorufin	0.0132	2.0194	0.0146	1.9527
Rhamnalpinogenin	0.0433	2.0213	0.0393	1.8962
Rhamnazin	0.0548	0.6102	0.0557	3.2794
Rhamnose	0.8432	1.2678	0.7844	1.1047
Rhapontigenin	0.1743	3.0217	0.1576	0.6464
Rhapontin	0.0374	2.6695	0.2322	1.0610
Rheidin A	1.4227	0.5521	1.4350	0.5903
Rhein	0.0395	2.2049	0.1548	1.6008
Rheinanthrone	1.0323	0.5122	2.0736	0.3819
Rhodamine 123	2.3512	0.6982	0.2823	0.6683
Rhodojaponin III 9,11-diacetate	0.9290	0.8807	1.4195	0.7708
rhodomycinone D	0.5104	1.2821	0.2122	1.9953
Ribonolactone	0.8182	1.2074	0.7275	1.2470
Ribose-1-phosphate	1.2320	0.2333	2.2939	0.2407
Ribose-5-phosphate	1.1096	0.4621	0.9928	1.4356
Ridiculuflavone A	0.1544	1.8809	0.0812	1.8835
Ridiculuflavone B	0.8750	0.8781	1.3864	0.8604
Riesling acetal	0.9994	0.8446	1.3593	0.7966
Rifamycin S	0.1074	1.7787	0.1455	1.9683
Rimsulfuron	0.4056	0.0580	3.5093	0.0271
Rindoside	2.5279	0.0758	1.2652	0.1311
Ritipenem acoxil hydrate	3.1068	0.1933	0.5890	0.1109
(R)-lipoyl-AMP	0.1875	2.3634	0.1753	1.2738
(R)-lipoyl-AMP(1-)	0.5035	0.0556	3.3766	0.0643
RNA (poly(C))	0.8269	1.1879	0.9990	0.9862
RNA (poly(U))	2.0429	0.2228	1.3490	0.3854
(R)-N-Boc-4-cyanophenylalanine	0.9429	0.0542	2.9647	0.0382
Robinetin	1.7276	0.6571	1.3503	0.2650
Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol	0.3761	1.8816	0.1306	1.6117
Rofecoxib	0.2592	0.7077	0.0674	2.9657
Rolinose	0.4945	0.1755	3.2171	0.1129
Rosuvastatin	1.5266	0.0652	1.8300	0.5782
Rot-2^-enonate	2.4124	0.2140	1.1973	0.1763
Rotenonic acid	0.0470	1.2137	0.0361	2.7033
Rotenonone	0.0791	3.1198	0.0331	0.7679
Rottlerin	1.2381	0.0327	2.4265	0.3028
Roxadustat	1.6529	1.2777	0.3779	0.6915
(R)-phenyllactoyl-CoA	2.4565	0.4331	0.8670	0.2434
(R)-Roemerine	0.1060	3.0855	0.7820	0.0265
(R,S)-N-Nitrosoanatabine N-beta-D-glucuronide	1.1577	0.1687	2.3091	0.3645
Rubiadin	0.0197	2.1897	0.0030	1.7877
Rubidium hydroxide	0.8557	2.0591	0.6236	0.4616
Rubinaphthin A	1.3962	0.4344	1.9082	0.2612
Rubrofusarin	1.1751	0.4851	1.4238	0.9160
Rubrofusarin 6-[glucosyl-(1->3)-glucosyl-(1->6)-glucoside]	0.0514	2.4162	0.0211	1.5113
Rubroskyrin	0.5974	1.7494	0.1438	1.5095
Rugulosin	2.2579	0.0612	1.5675	0.1134
Rutaecarpine	0.7194	0.9577	1.6891	0.6337
Rutaevin	0.0593	1.5189	0.0264	2.3953
Rutin trihydrate	0.0826	0.9752	0.0085	2.9337
S-(1,2-Dichlorovinyl)glutathione	0.1879	2.3150	0.1056	1.3915
S-(1-hydroxy-2-methylbut-3-en-2-yl)glutathione	0.0307	2.1853	0.0134	1.7706
(S)-1-(sec-Butyl)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-methyl-6-(6-(piperazin-1-yl)pyridin-3-yl)-1H-indole-4-carboxamide	0.0153	1.8709	0.0434	2.0704
(S)-2-(2-(3,5-Difluorophenyl)acetamido)-N-((S)-5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl)propanamide	0.0871	2.0176	0.0507	1.8447
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2S,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carbothioate	0.1782	2.4920	0.1647	1.1651
S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3S)-3-hydroxyhexanethioate	0.1372	2.1395	0.0259	1.6973
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-(4-hydroxyphenyl)prop-2-enethioate	1.2082	0.1480	2.1469	0.4968
(S)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 5-[glucosyl-(1->4)-b-D-glucoside]	1.4812	0.3692	1.7758	0.3738
(S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4-benzopyrone	0.0169	2.0150	0.0199	1.9482
S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate	1.5913	0.0976	2.1440	0.1672
S-(2-boronoethyl)-L-cysteine	0.2720	2.5705	0.4044	0.7532
S-2-Octenoyl CoA	0.4426	1.6532	0.2444	1.6598
(S)-[(2S,4R,5S)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol	2.0954	0.1441	1.6965	0.0640
(S)-3-Hydroxydecanoyl-CoA	0.0434	1.8021	0.0544	2.1002
(S)-4^-((5-((1-(4-bromophenyl)ethyl)carbamoyl)-2,3-dimethyl-1H-indol-1-yl)methyl)-[1,1^-biphenyl]-2-carboxylic acid	0.5880	1.2760	0.8480	1.2880
S-(5-methyl-1,3,4-thiadiazol-2-yl) 2-carbazol-9-ylethanethioate	1.2025	0.3047	1.7239	0.7689
(S)-7-(((2-O-6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one	0.2286	0.9924	0.0931	2.6859
S-Acetyl dihydroasparagusic acid	0.0862	2.6000	0.0508	1.2630
S-adenosyl-L-homocysteine	0.0029	3.8659	0.0230	0.1081
S-Adenosyl-L-methionine disulfate tosylate, (R)-	1.2483	0.2489	2.0712	0.4315
Sakambullin	0.0298	3.7130	0.0814	0.1757
Sakuranin	0.8295	1.4846	0.8054	0.8805
Salicin 6-phosphate	1.4069	0.5181	1.6245	0.4505
Salidroside	2.3559	0.4686	0.6620	0.5135
Salipurposid	2.4496	0.5966	0.6355	0.3183
Salirasib	0.2458	0.8664	1.9285	0.9593
Salsalate	0.2930	2.7692	0.1015	0.8363
Salviaflaside	1.4115	0.2014	2.1308	0.2563
Salvianolic acid C	0.6793	1.3319	0.8729	1.1158
Salvianolic acid G	2.3377	0.2650	1.1043	0.2930
Samarangenin A	0.1489	2.3407	0.1005	1.4099
Sambacolignoside	0.0345	2.3708	0.0237	1.5709
Sampangine	0.0824	2.3176	0.0266	1.5733
Sandoricin	1.5935	0.1396	2.1772	0.0897
Sanggenone C	3.3208	0.1248	0.3997	0.1548
Santonin	0.0604	0.0301	3.8934	0.0162
Saphenamycin	0.9747	2.1930	0.1304	0.7019
Saponarin	0.9765	0.9617	1.3636	0.6982
Saprisartan	1.6093	0.4583	1.5939	0.3385
Saracatinib	0.1430	0.5729	0.0942	3.1898
S-Benzoylthiamine O-monophosphate	2.0518	0.1738	1.5988	0.1756
Scandinone	0.6405	2.6887	0.6568	0.0140
Sceptrin	1.3740	0.3751	1.5734	0.6776
Schaftoside 4^-glucoside	0.0745	1.6299	0.0465	2.2491
Schisantherin A	1.7991	0.0969	1.8290	0.2750
Sciadonic acid	1.0585	0.6798	1.2154	1.0463
Sciadopitysin	0.5975	1.8203	0.2575	1.3246
Scillaren A	0.9911	0.1623	2.4667	0.3799
Scleroglucan	2.3732	0.3269	0.8676	0.4323
Scoparin	3.0892	0.2303	0.5107	0.1698
Scutellarein 6-xyloside	0.4735	1.5676	0.1826	1.7762
(S)-dibutyl(3-hydroxybutyl)phosphate	1.4299	0.1117	2.3134	0.1450
Sebacic acid	1.1461	0.0179	2.8299	0.0061
Sedoheptulose	1.1979	0.8893	1.2570	0.6558
Sedoheptulose 1,7-bisphosphate	0.4370	1.6212	0.3033	1.6385
Sedoheptulose 1-phosphate	0.0866	1.8699	0.2680	1.7755
Sedoheptulose 7-phosphate	0.0608	1.5745	0.0291	2.3356
Segetalin D	1.9867	0.1819	1.5985	0.2329
Selenodiglutathione	0.5024	1.9679	0.0402	1.4895
Selenodiglutathione(2-)	0.1658	3.2364	0.2092	0.3886
Selfotel	2.4968	0.5261	0.6087	0.3684
Selinexor	0.0893	0.2972	1.5089	2.1046
Se-methylselenocysteine	1.9812	0.7168	1.0893	0.2127
Sennidin B	0.0224	1.8443	0.0107	2.1226
Sennidin C	0.0169	1.4706	0.0065	2.5060
Sennoside	1.9349	0.0735	1.7897	0.2019
Sennoside B	2.5374	0.0339	1.3646	0.0640
Sennosides	0.5807	1.8124	0.1943	1.4126
Septacidin	0.8018	0.2317	2.7860	0.1806
Ser-Abu-OH	1.0316	0.4944	0.2135	2.2606
Ser-Arg-Glu-Val-Ser	0.4390	0.0209	3.5199	0.0202
Ser-Asn-Tyr	1.0919	0.6221	0.8387	1.4472
Ser-Asp-Thr-Glu	0.0395	1.9130	0.0101	2.0374
Ser-Cys-Cys	0.6491	0.6856	0.3099	2.3554
Ser-Gln	1.0899	0.6151	1.6401	0.6549
Ser-Gln-Leu-Lys	0.9280	0.9854	1.0915	0.9952
Ser-Glu-Glu	0.2154	2.4516	0.0902	1.2427
Ser-His-Trp	0.9153	1.1790	0.7153	1.1904
Ser-Lys-Thr-Glu	2.0904	0.1579	1.6989	0.0527
Ser-Met	2.9763	0.0908	0.8448	0.0881
Ser-Nap-OH	0.1025	3.5545	0.1768	0.1661
Ser-phe	0.8437	1.4950	0.2828	1.3785
Ser-Phe4Cl-OH	3.4451	0.0171	0.4543	0.0835
Ser-Ser	0.5076	1.7635	0.3233	1.4056
Ser-Thr-Arg	2.0328	0.0762	1.7471	0.1438
Ser-Thr-Ile-Thr-Ser	0.6197	0.1563	3.0924	0.1316
Ser-Val-Gln-Glu	0.3177	1.2507	0.0953	2.3363
Serylcysteyllysine	0.2740	1.2153	0.4286	2.0821
Sesaminol glucoside	2.6969	0.2183	0.8386	0.2461
S-Formylmycothiol	0.5751	1.4611	1.2677	0.6961
S-Glutathionyl-L-cysteine	0.2144	1.8312	0.0809	1.8734
S-glutathionyl-TriCH	1.8950	0.0545	2.0162	0.0343
s-Hexylglutathione	2.0745	0.7543	0.8371	0.3340
Shikonin	0.0098	2.1724	0.0276	1.7903
Shinflavanone	1.1942	1.1904	0.0318	1.5835
S-(Hydroxymethyl)mycothiol	0.6684	0.4845	0.2515	2.5956
Sialylated tetraose type 1	0.0769	2.3433	0.1203	1.4595
Sibirioside A	0.1471	2.5121	0.0298	1.3110
Silandrin	0.8467	0.0345	3.1080	0.0108
Silibinin	0.2382	1.8708	0.1625	1.7285
Silicic acid	0.9351	1.1558	0.8757	1.0334
Silidianin	0.0649	1.9269	0.0266	1.9816
Silymarin	0.6639	1.2212	1.8022	0.3126
(+)-Silymonin	0.8096	1.6831	0.2764	1.2310
Simarubaceae	0.3844	0.0656	3.5084	0.0417
Simulansamide	1.7833	0.0241	1.9546	0.2379
Sinapaldehyde	0.0764	2.1084	0.0268	1.7884
Siphonol E	0.9759	0.0941	2.8854	0.0446
Siroamide	1.8700	0.0817	2.0070	0.0412
Siroheme amide	0.8129	1.7829	0.1357	1.2686
Sirohydrochlorin	0.1875	2.2002	0.0613	1.5510
SIS3 free base	0.5809	1.2528	0.3902	1.7761
S-Isopropyl 3-methylbut-2-enethioate	3.1672	0.0317	0.7503	0.0508
Sitagliptin phosphate monohydrate	0.1949	1.7563	0.0176	2.0312
Sivelestat sodium hydrate	1.9092	0.0968	1.9199	0.0741
S-Lactoylglutathione	0.8055	0.6447	2.3788	0.1709
S-methyl-5-thio-D-ribofuranose	1.7389	0.2738	1.8388	0.1485
(S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-[a-L-rhamnopyranosyl-(1->6)]-b-D-glucopyranoside]	0.8435	1.4716	0.7862	0.8988
Sodium (2R)-2,3-bis(hexadecanoyloxy)propyl 2-(3-carboxypropanamido)ethyl phosphate	0.4821	1.8530	0.1512	1.5137
Sodium folinate	3.3233	0.0990	0.4971	0.0806
Sodium pantothenate	1.8108	0.3272	1.5902	0.2718
Sofalcone	0.7867	0.1822	2.5073	0.5238
Sophoraflavonoloside	0.0715	2.8652	0.0587	1.0046
Spectinomycin	0.0223	1.8468	0.0873	2.0437
Spectinomycin dihydrochloride	1.6728	0.5597	0.0327	1.7348
Spectracef	0.0277	1.5907	0.0134	2.3683
S-(PGA1)-glutathione	0.9812	0.4292	2.2292	0.3604
Spinatoside	2.6508	0.1616	1.1592	0.0284
Spinosyn P	1.4973	0.1839	2.1036	0.2152
Spiro(5.5)undec-3-en-1-one, 4,8-dibromo-9-chloro-2,5,5,9-tetramethyl-, (2R,6S,8R,9R)-rel-(+)-	1.1918	0.3762	2.1633	0.2688
Spirodiclofen	1.9538	1.3055	0.6852	0.0555
s-(p-Nitrobenzyl)glutathione	0.3417	0.4140	0.0427	3.2015
Sporidesmin	0.9038	1.8979	0.3822	0.8161
Starch acetate	1.5256	0.8011	1.2170	0.4564
(-)-Steganacin	0.0490	2.3720	0.0212	1.5577
Steppogenin	0.3819	1.8773	0.0495	1.6914
(S)-(+)-tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate	0.0305	2.1823	0.0005	1.7867
Strictosamide ketolactam	1.7854	0.1217	1.8533	0.2397
Strictosidine	1.7477	1.2811	0.6699	0.3013
Stypandrol	0.0404	2.0746	0.0324	1.8526
Suberic acid	0.0152	2.7092	0.0217	1.2539
Succinic acid	1.4374	0.5299	1.7671	0.2655
Succinic anhydride	1.3977	0.5470	1.6426	0.4126
Succinyladenosine	2.1815	0.0762	1.6826	0.0597
Sucralose	0.3098	1.8056	0.2746	1.6100
Sucrose 1^,4^-(4,4^-dihydroxy-3,3^-dimethoxy-b-truxinate)	2.8140	0.1508	0.8748	0.1604
Sudachiin A	3.0776	0.0306	0.8483	0.0435
Suffruticoside D	0.9258	0.7053	1.5412	0.8277
Sulfadiazine sodium	1.3889	0.1153	2.4149	0.0810
Sulfadicramide	1.8449	0.1978	1.8098	0.1475
Sulfamethazine	0.2785	1.7724	0.1340	1.8151
Sulfamethoxazole N1-Glucuronide	1.8691	0.0266	2.0737	0.0306
Sulfanilamide, N1-(5-methyl-1,3,4-thiadiazol-2-yl)-	0.0561	2.0447	0.0261	1.8731
Sulfaquinoxaline	0.7365	0.4220	2.3368	0.5047
Sulfasalazine	2.1265	0.2114	1.4041	0.2579
Sulforhodamine B	2.3504	0.0626	1.5265	0.0605
Sulfosulfuron	0.2024	2.1115	0.0223	1.6637
Sulindac sulfone	0.1395	2.2983	0.3297	1.2324
Sulpiride	0.1261	0.2344	3.3329	0.3066
Sulpyrine	0.1904	2.9101	0.0588	0.8407
Sultamicillin tosylate	0.0184	1.5322	0.0107	2.4388
Sultiame	0.8128	0.3809	2.2671	0.5391
Suprofen S-oxide	0.7048	1.2412	0.8711	1.1829
Suxibuzone	0.0422	2.1524	0.1572	1.6482
Swertiajaponin	0.9843	1.8670	0.3252	0.8235
Swertiamarin	1.9601	0.4050	1.0099	0.6250
Swertianolin	2.9305	0.0565	0.9475	0.0654
Swertiapunimarin	0.6685	0.2920	2.7975	0.2420
Syringetin-3-o-glucoside	0.5881	1.4463	0.2008	1.7649
Syringic acid	2.8963	0.1932	0.8345	0.0759
Syringin	1.0712	1.2970	0.4219	1.2098
Syringin 4-glucoside	0.2359	0.0643	3.4447	0.2552
Tacedinaline	0.0352	2.3058	0.0966	1.5624
Tacrine hydrochloride	1.7436	0.2801	1.2448	0.7315
Talampanel	2.9697	0.1682	0.7271	0.1350
Talampicillin	1.7601	0.0434	2.1024	0.0941
Taltrimide	1.5617	0.5020	1.4313	0.5050
Tamarixetin	0.5380	1.7715	0.2148	1.4758
Taurocyamine	1.3217	0.2915	2.2357	0.1511
Taxifolin	0.0146	1.8863	0.0147	2.0843
Taxifolin 3-arabinoside	0.2499	1.6337	0.1070	2.0093
Taxin B	0.5151	0.1962	3.1601	0.1286
TAXININE M	0.1209	0.6173	0.0742	3.1877
Taxinin M	1.7091	0.8100	0.7857	0.6952
Taxuyunnanine P	0.8888	0.0465	1.5515	1.5133
Tazarotenic acid	1.5404	0.4798	1.4992	0.4806
Tazemetostat	0.3319	0.9045	0.0134	2.7502
TDP-2-deoxy-5-keto-dihydrostreptose	0.0536	2.3676	0.0200	1.5589
Teflubenzuron	2.8265	0.0599	0.9604	0.1532
Tellimagradin I	0.9238	0.4580	1.1897	1.4285
Telomestatin	2.5895	0.0285	1.1191	0.2629
Temozolomide	0.5342	0.2545	3.0278	0.1835
Tenofovir	1.7407	0.0118	2.2167	0.0308
Tenuifoliside B	2.2102	0.2183	1.4313	0.1402
Tenuiphenone B	2.1257	0.1937	1.5065	0.1740
Tepoxalin	0.2821	1.4236	0.1494	2.1449
Terasil Red 3BL	0.0009	1.9227	0.0001	2.0764
Terasil Red 4GN	0.9020	0.3120	1.3876	1.3985
Terephthalic acid	0.5255	1.7543	0.2984	1.4218
Ternatin C5	3.6773	0.0128	0.2077	0.1023
Terrestrin F	0.1524	2.0221	0.1411	1.6844
Tert-butyl 2-(5-chloro-2,2^-dioxospiro[indole-3,3^-pyrrolidine]-1-yl)acetate	0.4080	1.7633	0.2214	1.6073
tert-Butyl (4-(3-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)isoxazol-5-yl)phenyl)carbamate	1.2356	0.0158	2.7291	0.0195
Tetracaine	1.3576	0.1104	2.1826	0.3494
Tetracenomycin A2	1.3566	0.0235	2.2283	0.3917
Tetracenomycin B3	2.5922	0.6802	0.5022	0.2254
Tetracenomycin F1	0.0858	3.1391	0.0847	0.6904
Tetracycline	0.0099	2.3165	0.0137	1.6599
Tetrafluorosuccinic acid	0.4321	0.4905	1.7022	1.3751
Tetrahydroaldosterone-3-glucuronide	0.0588	3.3739	0.0352	0.5321
Tetrahydromethanopterin	0.4134	1.2282	0.2751	2.0833
Tetrahydropapaveroline	0.6714	0.4328	0.9444	1.9514
tetrahydrothiophene	0.7398	0.1228	2.9634	0.1740
Tetrahydrothiophene-3-ol 1,1-dioxide	2.2501	0.3144	1.2240	0.2114
TG(14:0/13:0/13:0)	0.7930	0.0452	3.1358	0.0260
TG(14:0/14:0/16:1(9Z))	1.6171	0.9928	1.0184	0.3716
TG(14:0/14:0/18:3(9Z,12Z,15Z))	0.6005	2.1361	0.0112	1.2522
TG(14:0/15:0/22:5(7Z,10Z,13Z,16Z,19Z))	0.2252	1.1565	0.2784	2.3399
TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	0.0640	2.5907	0.0374	1.3080
TG(14:1(9Z)/15:0/20:4(5Z,8Z,11Z,14Z))	0.0726	2.0244	0.0653	1.8377
TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	1.0238	0.3886	0.9745	1.6131
TG(15:0/16:0/20:4(5Z,8Z,11Z,14Z))	0.0750	1.9567	0.0977	1.8706
TG(15:0/16:1(9Z)/22:2(13Z,16Z))	1.9495	0.1080	1.6521	0.2904
TG(15:0/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	0.3652	2.5039	0.4111	0.7198
TG(15:0/20:0/22:2(13Z,16Z))	0.5958	1.2059	0.4725	1.7259
TG(16:0/15:0/14:1(9Z))	1.2508	0.2819	1.5172	0.9501
TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	1.3186	0.2637	1.9293	0.4884
TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	0.0721	2.0748	0.0660	1.7871
TG(18:0/14:0/18:0)	1.7962	0.3852	1.3546	0.4641
TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	0.1190	2.4981	0.0528	1.3301
TG(20:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	0.6563	0.5012	0.9046	1.9380
TG(20:0/24:0/o-18:0)	0.2372	3.1822	0.1575	0.4230
TG(20:2n6/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	0.6148	0.5978	0.4912	2.2962
TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	0.5905	2.1193	0.2833	1.0069
TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	0.6383	1.5334	0.9651	0.8633
Thalidomide	1.2893	0.1971	2.1167	0.3969
Theaflavate A	0.0657	1.4189	0.0226	2.4928
Theaflavate B	1.9984	0.0264	1.9116	0.0637
Theaflavin monogallates	0.0435	1.5905	0.0802	2.2858
Theasinensin C	3.0286	0.5299	0.3987	0.0428
Theasinensin F	0.5090	2.4570	0.0952	0.9388
Thelehantin H	1.2778	0.3295	1.0587	1.3339
Thelephantin J	0.5124	1.3642	0.6633	1.4600
Thelephoric acid	2.2442	0.3212	0.8447	0.5899
Thenylchlor	1.3415	1.1828	0.5927	0.8829
Theogallinin	0.0025	3.3201	0.0022	0.6752
Thermocryptoxanthin-15	0.3049	2.3312	0.1907	1.1732
Thermozeaxanthin-17	2.7192	0.2018	0.7919	0.2871
Thiaburimamide	0.3695	1.6269	0.3755	1.6281
Thioctic acid	1.6471	0.0036	2.0438	0.3055
ThioFluor 623	0.1664	1.1213	0.0721	2.6401
Thioinosinic acid	0.4594	0.9115	1.6074	1.0218
Thionalide	0.1573	3.0019	0.0132	0.8277
Thioproperazine	2.2604	0.2610	1.2715	0.2071
Thiosulfuric acid	1.1926	0.7936	1.0409	0.9729
Thr-Arg-Gln-Glu	0.5079	0.1207	2.9829	0.3885
Threoninyl-Cysteine	2.6095	0.4950	0.4613	0.4343
Threonyltryptophylarginine	1.7456	0.4297	1.4395	0.3852
Thr-Glu-Arg-Glu	0.2654	1.7825	0.1114	1.8407
Thr-Glu-Lys-Asp-Glu	2.6319	0.2025	0.9210	0.2446
Thr-His	2.9784	0.0354	0.8591	0.1271
Thr-Ile-Glu-Ile-Ile	2.3238	0.1565	1.3715	0.1482
Thr-Leu-Val-Arg	1.2699	1.5216	0.0811	1.1274
Thr-Lys-Gln-Lys	0.3283	0.0820	3.5275	0.0621
Thr-Met	1.7282	0.1762	1.9159	0.1796
Thr-Phe4Cl-OH	0.0614	1.1829	0.0376	2.7181
Thr-Ser	1.3826	1.1589	1.1168	0.3417
Thr-Thr	1.3089	0.1443	2.2141	0.3327
Thr-Tyr-His-Asp	0.0243	2.3279	0.0243	1.6234
Thr-TyrMe-OH	0.8829	1.6555	0.9280	0.5336
Thr-Val-Leu-Arg	0.1448	0.1033	3.6431	0.1089
Thymidine-5^-phosphate	2.0886	0.3999	0.4488	1.0627
Thymidine 5^-triphosphate(4-)	2.0719	0.0176	1.8845	0.0260
Thymonin	1.9042	0.5695	1.1514	0.3750
Thymopentin	1.3255	0.3482	2.0234	0.3028
Tiamulin (fumarate)	1.3149	0.2309	2.2706	0.1837
Tianeptine sodium	0.1958	1.9571	0.1252	1.7219
Tipranavir	3.6575	0.0143	0.2536	0.0746
Toddaliopsin B	1.2768	1.2810	0.1366	1.3056
Tolfenamic acid	0.2761	1.6973	0.5543	1.4723
Tolmetin sodium dihydrate	1.7682	0.2455	1.8197	0.1666
Tomelukast	3.2633	0.1817	0.4955	0.0595
Torachrysone	0.1251	1.7898	0.2644	1.8207
Torin 1	0.0141	1.8665	0.0540	2.0655
Torvanol A	1.5382	0.0537	2.2964	0.1117
Toyocamycin phosphate	0.2960	1.8864	0.2321	1.5855
Trametinib	0.0246	1.9573	0.0227	1.9954
Tramiprosate	1.0005	1.2237	0.8605	0.9154
trans-2-nonenoyl-CoA(4-)	0.0356	3.6711	0.0223	0.2710
Transfluthrin	0.2524	2.3379	0.1432	1.2664
trans-Stilbene	1.4502	1.2137	0.3209	1.0153
trans-Sulindac	0.3550	1.7169	0.2066	1.7216
trans-Zeatin riboside triphosphate	0.0419	2.8016	0.0312	1.1253
Traumatic acid	0.3503	0.0027	3.6242	0.0228
Trehalose	0.3581	1.6485	0.4287	1.5648
Trehalose-6-phosphate	1.9640	0.5925	1.0975	0.3460
TRH,free acid	0.7087	0.2487	0.0652	2.9774
Triadimefon	1.6472	0.1960	2.1024	0.0545
Triamcinolone acetonide	1.1863	0.0196	2.7378	0.0563
Triamcinolone diacetate	0.9250	0.8691	1.3759	0.8300
Triazolam	0.0031	1.9237	0.0082	2.0650
Tribenzoyl d-1,6-galactosan	1.5623	0.4870	1.3829	0.5678
Tribufos	1.9062	0.0889	1.9465	0.0584
Tricetin	0.3700	1.9465	0.2786	1.4049
Trichotomine	0.2326	1.6905	0.2536	1.8233
Tricin	0.0231	2.1404	0.0305	1.8060
Tricin-4^-O-eudesmic acid	0.6451	1.5478	0.5640	1.2431
Tricin-4^-O-rutinoside-7-O-rutinoside	0.1328	2.5315	0.0485	1.2872
Tricin 7-diglucuronoside	0.4385	0.7929	0.3866	2.3820
Tricin 7-glucuronoside	0.4687	1.6749	0.1016	1.7548
Tricin-7-O-(2^^-Sinapoyl)glucoside	0.1572	1.0503	0.1051	2.6874
Triclocarban	1.1288	0.0340	2.8016	0.0355
Tridecanoic acid	1.2745	0.5822	1.1512	0.9921
Trifloxysulfuron	0.3211	1.6359	0.2380	1.8049
Trifluridine	1.1201	0.0657	2.7832	0.0310
Triflusulfuron-methyl	2.7484	0.2344	0.7895	0.2277
Trifolirhizin	0.1588	2.4583	0.0706	1.3122
Trigallic Acid	0.6738	1.3507	0.5812	1.3943
Trilobatin	2.0938	0.4257	0.4187	1.0619
Trimeprazine	0.3044	3.1632	0.4984	0.0340
Trimeprazine tartrate	0.1133	3.3895	0.0649	0.4323
Trimetazidine dihydrochloride	0.1251	1.8241	0.0509	2.0000
Trimethyl 1,2,3-benzenetricarboxylate	0.3993	0.7988	0.4737	2.3282
Trimethylsilyl nonanoate	1.6743	0.3412	1.4460	0.5385
Tripelennamine hydrochloride	1.5550	0.1068	2.2649	0.0733
Triphenyltin chloride	2.4746	0.0281	1.4044	0.0928
Tripropylene glycol diacrylate	2.5125	0.1954	1.1268	0.1652
Triptophenolide	1.1397	0.7543	1.5082	0.5978
Tris(2-butoxyethyl) phosphate	0.2524	1.5704	0.2480	1.9293
Troxerutin	2.4017	0.2250	1.0101	0.3633
Trp-Asn	0.0210	2.5231	0.0081	1.4479
Trp-Gln-Gln-Asp-Glu	0.1426	2.3192	0.0535	1.4847
Trp-HoPhe-OH	3.0504	0.0673	0.8499	0.0324
Trp-Met-Ile	2.1174	0.0843	1.5310	0.2674
Trp-Trp-Asp	0.2963	2.2124	0.2021	1.2892
Trp-Trp-Val	0.9737	0.6196	0.3289	2.0779
Trp-Val-Asn	0.6564	0.2209	2.8749	0.2477
Trypanothione(1+)	0.4913	0.0321	3.4564	0.0202
Tryptophol	0.6466	1.2188	0.1726	1.9620
Tubulysin A	0.1590	1.6160	0.1163	2.1087
Tuliposide B	3.6834	0.0323	0.1166	0.1677
Tumonoic acid G	1.0613	0.0346	2.8802	0.0238
Tumonoic acid I	0.8700	0.0469	3.0480	0.0351
Turgorin	0.1169	2.2995	0.0204	1.5631
Tutin	0.4521	1.6545	0.3590	1.5344
Tyr-Abu-OH	0.0303	2.2689	0.0535	1.6473
Tyr-Asp	0.9443	1.3442	0.2494	1.4621
Tyr-Gln-Asn-Glu	0.6622	1.0933	1.1776	1.0669
Tyr-Glu-Asp	0.3643	0.5481	0.4017	2.6859
Tyr-Glu-Asp-Tyr-Val	1.5179	0.1176	2.1554	0.2090
Tyr-His-Phe-Lys	0.9414	0.0892	2.8308	0.1386
Tyr-HoPhe-OH	0.8821	0.4413	1.7829	0.8937
Tyr-Leu-Glu-Arg	0.8106	0.2293	2.6658	0.2943
TyrMe-Asp-OH	0.1554	3.2064	0.0443	0.5939
TyrMe-His-OH	0.1641	1.9868	0.0348	1.8144
TyrMe-Met-OH	0.1004	2.1859	0.0976	1.6160
TyrMe-Nap-OH	0.7051	1.8799	0.1027	1.3123
TyrMe-Phe4Cl-OH	1.5030	0.7731	1.3619	0.3620
Tyr-Met-OH	1.1676	0.9161	0.7348	1.1815
Tyr-Met-Trp	0.3602	1.2650	0.2553	2.1195
TyrMe-TyrMe-OH	0.0706	2.0213	0.0296	1.8785
TyrMe-Tyr-OH	0.6583	1.3182	0.4214	1.6021
Tyr-Nap-OH	0.0263	2.2378	0.1534	1.5825
Tyrosylasparagine	1.6482	0.4455	0.2864	1.6199
Tyrosyltyrosine	0.0225	2.4207	0.0225	1.5343
Tyr-Phe4Cl-OH	0.1260	3.0892	0.0107	0.7740
Tyr-Phe-His-Glu	3.1506	0.0174	0.8014	0.0306
Tyr-Phe-Met-Arg-Phe-NH2	0.0987	1.7328	0.2509	1.9176
Tyr-Phe-Thr-Lys	1.6911	0.3619	1.5367	0.4103
Tyrphostin 47	1.5348	0.4734	1.4694	0.5224
Tyrphostin B48	0.9672	0.0786	0.0095	2.9446
Tyr-Pro	1.4056	0.8561	0.4982	1.2401
Tyr-Pro-Phe	0.5083	1.4633	0.6790	1.3494
Tyr-TyrMe-OH	0.0538	1.3204	0.1065	2.5194
Ubiquinone-1	0.7305	0.6507	2.1615	0.4573
Udenafil	0.8473	1.7053	0.5325	0.9150
UDP-2-acetamido-2,6-dideoxy-beta-L-arabino-hex-4-ulose(2-)	0.0817	0.6004	0.0426	3.2753
UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine	0.2258	0.6576	0.1036	3.0129
UDP-3-O-[(3R)-3-hydroxytetradecanoyl]-alpha-D-glucosamine(1-)	1.6340	0.0926	2.1906	0.0829
UDP-4-amino-4,6-dideoxy-L-N-acetyl-beta-L-altrosamine(1-)	2.2181	0.3148	0.1041	1.3631
UDP-6-sulfoquinovose	1.9695	0.1058	1.8681	0.0566
UDP-alpha-D-xylose	0.7703	0.1175	3.0410	0.0713
Udp-beta-L-rhamnose	0.0862	1.5313	0.1074	2.2751
UDP-D-galactofuranose	1.0553	0.1749	2.1938	0.5760
UDP-D-galactose	0.9455	0.6762	1.5714	0.8069
UDP-GlcNAc-pyruvate enol ether	0.5095	2.1634	0.3728	0.9542
UDP-N-acetyl-alpha-D-mannosaminouronate(3-)	0.4523	0.0569	3.4424	0.0484
UDP-N-acetyl-beta-L-fucosamine	1.9631	0.1138	1.8422	0.0809
UDP-N-acetylmuramic acid	0.1750	2.3656	0.0479	1.4115
Umbelliferone	1.4908	0.0013	2.5068	0.0011
Unii-72U0C7paav	1.8463	0.0337	2.0186	0.1014
Unii-YU544603T7	1.8208	0.0932	2.0022	0.0838
Uplandicine	1.6588	0.0337	2.2484	0.0591
Uracil mustard	0.0732	1.9257	0.0275	1.9737
Urdamycin A	1.0603	1.2705	0.2632	1.4060
Urdamycin B	0.9589	0.0890	2.8905	0.0616
Urdamycin G	2.3987	0.0758	1.3956	0.1300
Urea, 1-benzoyl-3-(4-chlorophenyl)-2-thio-	1.0477	0.0736	0.2605	2.6183
Ureidosuccinic acid	1.2309	0.0155	2.7090	0.0446
Uridine	1.9717	0.5035	1.3367	0.1882
Uridine-5^-aldehyde	0.8412	0.8302	1.5617	0.7669
Uridine, 5-bromo-2^-deoxy-	2.2817	0.0050	1.6580	0.0554
Uridine-5^-diphosphate-glucose	0.9049	0.5131	1.8715	0.7105
Uridine-5^-diphosphogalactose disodium salt	1.7431	0.4502	1.1282	0.6785
Uridine 5^-diphosphoglucose	0.9092	0.3538	1.8520	0.8850
Uridine diphosphate glucuronic acid	1.0889	0.6360	1.5021	0.7731
Uridine diphosphate-N-acetylgalactosamine	2.9503	0.0421	0.6607	0.3469
Urobilinogen	0.8732	0.3864	2.4801	0.2602
Urolithin A-3-O-glucuronide	0.1409	1.7667	0.0768	2.0156
Urolithin B 3-O-glucuronide	0.3143	1.6751	0.1227	1.8879
Uroporphyrin I	0.0960	0.8861	0.0448	2.9732
uroporphyrin III(8-)	0.5437	0.0266	3.3978	0.0320
Usnic acid	0.0384	2.0770	0.0199	1.8647
Ustiloxin A	2.0688	0.0465	1.8301	0.0546
Ustiloxin D	2.2175	0.0454	1.6976	0.0395
Ustin II	0.0754	2.7534	0.0896	1.0816
Uvaretin	0.0696	2.4102	0.0274	1.4928
Vaccinoside	1.2462	0.9977	0.4457	1.3105
Val-Ala-Val-His-Val	0.9749	0.1437	2.7360	0.1453
Val-Arg	2.6302	0.6112	0.5818	0.1769
Val-Leu-Ser-Asp	1.1978	0.1638	2.5065	0.1319
Valorphin	1.0862	0.7862	1.4929	0.6347
Val-Thr-Ile-Asp	1.1403	0.0659	2.7321	0.0618
Val-Thr-Phe-Glu-Ser	0.0235	1.8571	0.0643	2.0551
Val-Tyr-Glu-Lys	0.8065	1.3052	0.8397	1.0487
Valyl-Hydroxyproline	1.6903	0.0978	1.9462	0.2657
Valylserine	1.1872	0.5740	1.5123	0.7265
Vandetanib	1.7290	0.5982	0.6031	1.0698
Vanillactic acid	2.8262	0.1179	0.9582	0.0976
Vaniqa	0.0164	2.3378	0.0095	1.6363
Vatalanib	1.0961	0.1157	2.6858	0.1024
Venlafaxine hydrochloride	1.0334	0.9772	1.0883	0.9012
Veranisatin B	1.4002	0.0063	2.5757	0.0178
Verapamil	2.3381	0.1510	1.3926	0.1183
Verlukast	0.3692	2.3199	0.0886	1.2223
Versicolorin A	0.3111	0.1881	3.3284	0.1724
Vestitol	0.7261	1.6877	0.8494	0.7368
Victorin C	1.6345	0.0347	2.1649	0.1659
Vidarabine monohydrate	0.1301	2.9985	0.4146	0.4569
Viniferal	0.1539	1.0683	0.2529	2.5249
Violanthin	1.2437	1.1063	0.6153	1.0346
Vitexin	0.6803	1.4268	0.4886	1.4043
Vitisifuran B	0.1224	0.2409	0.0290	3.6078
Vitisin C	1.3983	0.8475	1.0952	0.6589
Vomifoliol 9-[xylosyl-(1->6)-glucoside]	2.7940	0.1717	0.8410	0.1934
Vortioxetine hydrobromide	0.7398	0.2003	2.8209	0.2389
Vulpinic acid	2.5625	0.5126	0.6739	0.2510
Wairol	0.1289	1.9069	0.3224	1.6417
Watasenia luciferin	0.3969	0.4577	2.9287	0.2167
Wedelolactone	0.8698	2.1214	0.4262	0.5825
WIN 55212-2 mesylate	1.5942	0.1034	2.1473	0.1551
Withanolide D	1.5105	0.1171	2.1603	0.2121
Woodorien	2.5771	0.0276	1.3683	0.0270
Wuweizisu C	1.1460	1.3912	0.4501	1.0127
Xanthine	0.4737	0.0102	3.3809	0.1351
Xanthoaphin	1.2749	0.0304	2.6623	0.0325
Xanthohumol	1.7340	0.0751	2.1355	0.0554
Xanthommatin	1.7475	0.6422	0.9511	0.6591
Xanthorhamnin	0.3786	1.4743	0.1336	2.0134
Xanthosine 5^-triphosphate	1.9897	0.2506	1.6234	0.1364
Xanthotoxol	1.5879	0.1109	2.2152	0.0859
XV638	0.1394	2.4359	0.0415	1.3831
Y-27632 dihydrochloride	0.8545	1.2391	0.5329	1.3735
Yamogenin 3-O-neohesperidoside	2.4664	0.0672	1.3867	0.0797
Yuccaol A	0.4170	1.0077	0.2563	2.3191
(Z)-3-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanylcarbonyl]-4-phenylbut-3-enoate	0.2087	2.1558	0.0572	1.5783
(Z)-5-[(1R,2R,3S,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]pent-3-enoic acid	0.5937	0.0194	3.3661	0.0207
(Z)-7-[(1S,2R,3R,4R)-3-[(E,3R)-3-hydroxy-4-(4-iodophenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid	0.8462	1.3557	0.4165	1.3816
(Z)-7-[(2E,5S)-5-Hydroxy-2-[(E)-oct-2-enylidene]-3-oxocyclopentyl]hept-5-enoic acid	1.5749	0.0335	2.3417	0.0500
Z-Ala-asp-OH	0.5555	2.3067	0.6918	0.4460
Zeanoside B	1.8002	0.1443	1.7703	0.2853
Zeanoside C	0.0673	2.4768	0.2676	1.1883
(+)-Zeylenol	2.8195	0.2572	0.8978	0.0254
Ziprasidone	0.0681	2.8663	0.0046	1.0611
Zonisamide	0.0107	2.4553	0.0129	1.5211
Zoxamide	1.0897	2.2712	0.0823	0.5568
Zoxazolamine	0.0577	2.1114	0.0217	1.8093
Z-Pyr-ONp	2.9138	0.0870	0.9734	0.0258
(Z)-Resveratrol 3,4^-diglucoside	1.6300	0.3216	1.7815	0.2669
Zucchini factor B	1.3841	0.0585	2.5364	0.0209
Zuclopenthixol	0.0358	2.0112	0.0120	1.9409

Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1	data:3 day | Sample source:leaf
F2	data:3 day | Sample source:root
F3	data:9 day | Sample source:leaf
F4	data:9 day | Sample source:root