Compound	nhilic-31may17-001	nhilic-31may17-002	nhilic-31may17-003	nhilic-31may17-004	nhilic-31may17-005	nhilic-31may17-006	nhilic-31may17-007	nhilic-31may17-008	nhilic-31may17-009	nhilic-31may17-010	nhilic-31may17-011	nhilic-31may17-012	nhilic-31may17-013	nhilic-31may17-014	nhilic-31may17-015	nhilic-31may17-016	nhilic-31may17-017	nhilic-31may17-018	nhilic-31may17-019	nhilic-31may17-020	nhilic-31may17-021	nhilic-31may17-022	nhilic-31may17-023	nhilic-31may17-024	nhilic-31may17-025	nhilic-31may17-026	nhilic-31may17-027	nhilic-31may17-028	nhilic-31may17-029	nhilic-31may17-030
Factors	Groups:Weight Losing | Gender:Female	Groups:Control | Gender:Male	Groups:Control | Gender:Female	Groups:Control | Gender:Female	Groups:Weight Losing | Gender:Male	Groups:Weight Losing | Gender:Male	Groups:Control | Gender:Female	Groups:Weight Stable | Gender:Male	Groups:Control | Gender:Female	Groups:Control | Gender:Male	Groups:Weight Stable | Gender:Male	Groups:Weight Stable | Gender:Male	Groups:Weight Losing | Gender:Male	Groups:Weight Losing | Gender:Male	Groups:Control | Gender:Male	Groups:Weight Stable | Gender:Female	Groups:Weight Stable | Gender:Female	Groups:Control | Gender:Female	Groups:Weight Stable | Gender:Female	Groups:Control | Gender:Male	Groups:Weight Losing | Gender:Female	Groups:Weight Losing | Gender:Female	Groups:Weight Stable | Gender:Male	Groups:Weight Stable | Gender:Female	Groups:Weight Stable | Gender:Female	Groups:Weight Losing | Gender:Female	Groups:Control | Gender:Male	Groups:Weight Stable | Gender:Male	Groups:Weight Losing | Gender:Female	Groups:Weight Losing | Gender:Male
?-D-Glucose	24000000.00	15400000.00	15100000.00	22100000.00	32200000.00	19100000.00	20300000.00	17900000.00	15700000.00	20200000.00	30600000.00	17100000.00	20500000.00	9088370.00	20400000.00	18700000.00	18500000.00	16500000.00	23100000.00	16700000.00	27200000.00	18800000.00	16300000.00	24600000.00	19200000.00	6543473.00	18400000.00	36100000.00	26200000.00	17400000.00
b-Glucose	21200000.00	14200000.00	13700000.00	19700000.00	15900000.00	17200000.00	18800000.00	16900000.00	13800000.00	19100000.00	57600000.00	14800000.00	18100000.00	972556.00	18600000.00	15500000.00	17300000.00	14200000.00	18600000.00	14500000.00	24900000.00	16000000.00	15800000.00	21000000.00	35400000.00	16200000.00	411647.00	17200000.00	22700000.00	16500000.00
L-Lactic acid	10300000.00	6241344.00	6220461.00	9371326.00	6583097.00	7288520.00	8262932.00	7345448.00	5830708.00	8535641.00	13600000.00	6448069.00	8264187.00	10300000.00	7965145.00	6630506.00	6912550.00	6034645.00	8264794.00	6190535.00	11800000.00	7115722.00	6399443.00	9399020.00	6698239.00	6498397.00	6697798.00	7166250.00	11100000.00	6660130.00
?-D-Glucose Esi-2.699	17100000.00	12200000.00	11600000.00	16600000.00	13000000.00	14900000.00	15700000.00	14600000.00	12200000.00	15200000.00	20500000.00	13600000.00	15700000.00	18100000.00	16100000.00	14400000.00	15700000.00	13100000.00	17400000.00	12800000.00	20600000.00	14700000.00	13000000.00	19300000.00	14800000.00	14400000.00	14400000.00	14800000.00	18400000.00	14800000.00
C10 H8 N3 O S	9702132.00	3881151.00	6449254.00	9120717.00	4349164.00	4724126.00	5262281.00	4405130.00	6616792.00	8603880.00	11900000.00	7326984.00	4654169.00	9843309.00	8847504.00	4737075.00	4707652.00	4140032.00	5785677.00	4142319.00	11500000.00	4551251.00	734456.00	6071154.00	8190968.00	4549505.00	4522865.00	4642995.00	6535979.00	4456707.00
L-Lactic acid Esi-2.722	7575848.00	4733572.00	5098560.00	7367554.00	5429913.00	5506546.00	15000000.00	13400000.00	5281478.00	6740942.00	10700000.00	11400000.00	14600000.00	7942866.00	5810592.00	5087088.00	5293746.00	10900000.00	15000000.00	4972116.00	20400000.00	5854473.00	11500000.00	16700000.00	12000000.00	11600000.00	5507622.00	13100000.00	8326433.00	5043601.00
?-D-Glucose Esi-2.8339999	13300000.00	9584518.00	9101416.00	11900000.00	10000000.00	10600000.00	11700000.00	10600000.00	8849595.00	11500000.00	15800000.00	10200000.00	11000000.00	12800000.00	11600000.00	10700000.00	11100000.00	9765208.00	12400000.00	9890566.00	15600000.00	10800000.00	10200000.00	13000000.00	11100000.00	10400000.00	10400000.00	10800000.00	14400000.00	10600000.00
C5 H5 N5 O3	5301692.00	3276751.00	4339045.00	3013657.00	3077474.00	2775526.00	3134123.00	3724918.00	3741485.00	3852354.00	2764074.00	3101965.00	2076567.00	2282607.00	4226058.00	3875606.00	2506965.00	5145214.00	2867066.00	5022202.00	2480499.00	2345066.00	3584820.00	3783849.00	3660342.00	2714101.00	2801887.00	4228099.00	3133814.00	5597020.00
C4 H2 O4	4540339.00	4561578.00	4396363.00	4509727.00	4833002.00	4640254.00	4701215.00	4592143.00	4446589.00	4587966.00	4280178.00	4418268.00	4209630.00	4470283.00	4599944.00	4494486.00	4780060.00	4699204.00	4730438.00	4421755.00	4537706.00	4405620.00	4494667.00	4599094.00	4671269.00	4844078.00	4670207.00	4798568.00	4445160.00	4587098.00
C10 H8 N3 O S Esi-2.8270006	3685174.00	2837921.00	6449254.00	9123678.00	2960062.00	3347036.00	3448728.00	7772049.00	6616792.00	8603474.00	11900000.00	7326984.00	3717176.00	9841851.00	8851732.00	3139355.00	3510508.00	2847935.00	3716272.00	2792790.00	11500000.00	3136043.00	2938823.00	4073863.00	8190968.00	3053745.00	3245066.00	3388826.00	4029964.00	3403624.00
C7 H8 O4 S	3082855.00	39398.00	3466573.00	33053.00	133707.00	1382571.00	83507.00	3137239.00	185120.00	1174886.00	1407471.00	396210.00	20664.00	1932276.00	1674517.00	604924.00	965513.00	982563.00	844938.00	1.00	628596.00	611413.00	651803.00	422693.00	1432054.00	667124.00	1047438.00	502297.00	295373.00	21819.00
C4 H8 O3	1224782.00	3718191.00	1047829.00	1189852.00	2813141.00	3040301.00	1528010.00	134256.00	847660.00	614503.00	374179.00	361117.00	1428489.00	3379862.00	1147888.00	840481.00	68165.00	184864.00	2873063.00	819065.00	557396.00	2681885.00	249547.00	415851.00	227374.00	1951177.00	310484.00	1695096.00	1818506.00	374312.00
C6 H10 N3 O2 S	868135.00	1791956.00	1188508.00	1468067.00	632796.00	1.00	1.00	3139578.00	1888172.00	1.00	1662935.00	1421449.00	2182857.00	1.00	1.00	1.00	750927.00	1.00	2458508.00	946063.00	3967899.00	1.00	3559193.00	4881062.00	4066328.00	691822.00	2353796.00	1.00	1.00	1.00
C9 H12 N4 O2 S	567693.00	457569.00	805322.00	538531.00	407789.00	724057.00	564737.00	543224.00	588112.00	674712.00	546276.00	720073.00	432863.00	427317.00	329044.00	436912.00	496716.00	522145.00	449218.00	429900.00	442957.00	364887.00	552025.00	266329.00	517589.00	465366.00	496610.00	472040.00	440654.00	553516.00
C30 H63 N26 O	1497942.00	1489146.00	1462925.00	1260527.00	1124743.00	1203145.00	1342797.00	1320075.00	1303723.00	1747901.00	820684.00	1019906.00	2648679.00	1265096.00	1019597.00	1555286.00	1020188.00	1331331.00	1489813.00	1365678.00	1300809.00	1474098.00	995835.00	1499125.00	1026374.00	1060962.00	1218893.00	1364347.00	1340748.00	1241548.00
L-Lactic acid Esi-2.8399992	9908281.00	6238059.00	10800000.00	8739612.00	6448321.00	7184588.00	8152483.00	7173517.00	5811937.00	8420008.00	13200000.00	6323536.00	7755763.00	9489297.00	7740640.00	6469737.00	6903054.00	5946883.00	8198241.00	6044121.00	11400000.00	7021296.00	6299358.00	8758113.00	6633358.00	6438524.00	6626963.00	7075186.00	10800000.00	6566674.00
C9 H2 N3 S	178083.00	141407.00	69718.00	2488126.00	148965.00	169296.00	12744.00	51697.00	27613.00	251059.00	26131.00	886858.00	70834.00	31609.00	107630.00	85088.00	32642.00	37082.00	1024408.00	176223.00	142230.00	55758.00	55149.00	246457.00	784206.00	170077.00	148041.00	88928.00	126553.00	292279.00
C6 H6 O4 S	64936.00	1.00	65248.00	29275.00	1.00	25889.00	147074.00	48367.00	24400.00	242306.00	32423.00	41705.00	14271.00	12470.00	40488.00	44134.00	2311957.00	56878.00	34430.00	118825.00	107402.00	17707.00	193823.00	58357.00	120743.00	619003.00	780025.00	23903.00	68647.00	21883.00
Creatinine	34757.00	28736.00	53761.00	42904.00	1298350.00	1158004.00	776339.00	1538012.00	24454.00	30732.00	23032.00	22973.00	46544.00	28914.00	1754662.00	25985.00	1318977.00	35650.00	1541457.00	17541.00	867833.00	2329417.00	459589.00	16290.00	27010.00	1933826.00	39498.00	1389322.00	25736.00	41607.00
C8 H9 N O5 S	2011193.00	1.00	9631.00	1.00	75338.00	567063.00	1.00	1.00	1.00	184333.00	10376.00	1.00	1.00	1.00	1.00	1.00	1.00	1203960.00	1.00	1.00	1.00	95016.00	1.00	1.00	1.00	906602.00	14044.00	1.00	1.00	1.00
C7 H6 O3	44596.00	75569.00	40747.00	33820.00	48629.00	82334.00	41618.00	1.00	39336.00	72278.00	50626.00	48337.00	57829.00	2287067.00	83007.00	48116.00	60027.00	56549.00	2003806.00	34082.00	36080.00	113901.00	162562.00	1.00	61134.00	63145.00	37456.00	2369373.00	45506.00	1.00
C13 H18 N7 O4 S	1353059.00	1901547.00	2197737.00	1138307.00	2216342.00	2075875.00	1112029.00	2762301.00	612704.00	3273466.00	1783891.00	1649760.00	996314.00	3115740.00	2276934.00	1859223.00	2080521.00	1736462.00	863620.00	819551.00	2510242.00	962140.00	780953.00	876415.00	1669618.00	1786441.00	1891809.00	2535118.00	3454841.00	1582424.00
C23 H10 N2	360465.00	280933.00	538149.00	366871.00	262804.00	404977.00	380313.00	365839.00	346801.00	420389.00	334363.00	400623.00	309144.00	252412.00	185487.00	284449.00	320744.00	354020.00	321004.00	306709.00	298681.00	230837.00	378875.00	173178.00	321933.00	308801.00	325132.00	333116.00	307113.00	367348.00
C13 H18 N7 O4 S Esi-2.717	2669354.00	1905795.00	2200454.00	1272700.00	2219201.00	2080923.00	2526759.00	2768536.00	1162796.00	3281180.00	1742987.00	1651852.00	1136119.00	3121244.00	2282116.00	1863156.00	2084084.00	1738822.00	1156457.00	1231865.00	2514072.00	1210905.00	1055930.00	1237639.00	1673057.00	1790939.00	1894962.00	2541902.00	3462676.00	1576199.00
C6 H6 N4 O2	366132.00	277030.00	531612.00	347547.00	267148.00	392282.00	363120.00	368561.00	338240.00	417564.00	335125.00	387481.00	306781.00	246909.00	181803.00	269692.00	315485.00	345427.00	302501.00	298618.00	293572.00	210906.00	356444.00	163043.00	312298.00	300298.00	311803.00	308391.00	297563.00	351933.00
Hippuric acid	433675.00	168341.00	140471.00	1.00	16756.00	48840.00	14675.00	200959.00	1.00	171173.00	434231.00	559133.00	42245.00	18438.00	1373823.00	19772.00	22515.00	28961.00	59296.00	114191.00	34226.00	218093.00	51491.00	149059.00	21865.00	106259.00	75352.00	54812.00	420893.00	53473.00
C31 H19 N8 O27 S	1069062.00	630468.00	88465.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	869158.00	81598.00	1.00	384294.00	1.00	140290.00	161871.00	784020.00	1725030.00	1.00	1.00	1080359.00	855835.00	1332247.00	377702.00	1382375.00	1.00	975792.00	1109100.00
C5 H4 N4 O4	1271279.00	733816.00	1007344.00	675458.00	665338.00	664622.00	702145.00	778544.00	964065.00	973904.00	626294.00	725742.00	514588.00	499814.00	1057423.00	1106277.00	541376.00	1430911.00	675955.00	1245787.00	617982.00	509336.00	844447.00	918503.00	828845.00	591267.00	742276.00	1092329.00	711481.00	1422594.00
C31 H19 N8 O27 S Esi-5.508	1.00	1.00	159504.00	252386.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	234275.00	1.00	1.00	210181.00	1.00	1.00	184316.00	254487.00	178858.00	150842.00	612693.00	1963734.00	2148170.00	1.00	1.00	482082.00
C28 H63 N29	646788.00	715818.00	531643.00	655877.00	610929.00	555789.00	469775.00	478851.00	694324.00	642129.00	353621.00	539150.00	1246963.00	541529.00	529530.00	569131.00	825240.00	526820.00	617007.00	994191.00	409221.00	479956.00	636159.00	578698.00	582015.00	379700.00	458740.00	604500.00	396566.00	703506.00
C14 H24 O9 S	1311384.00	1901547.00	2197737.00	1270567.00	2216342.00	2075875.00	1409509.00	2762301.00	1162498.00	1.00	1739972.00	1649760.00	1135291.00	1.00	1.00	1859223.00	2080521.00	1736462.00	1154321.00	1227756.00	1.00	1208611.00	1054304.00	1235357.00	1669618.00	1786725.00	1891809.00	2535118.00	1.00	1575166.00
C30 H25 N5 O28 S2	3214616.00	1.00	863039.00	1249412.00	1122872.00	930855.00	696781.00	1073620.00	520538.00	1.00	954020.00	183626.00	705693.00	1262981.00	875402.00	1477229.00	1.00	645158.00	279546.00	861805.00	1.00	1.00	169286.00	478650.00	622784.00	1.00	863058.00	924401.00	1.00	1.00
C4 H6 O3	1515467.00	927364.00	935898.00	1380978.00	993803.00	1120821.00	1282290.00	1109094.00	911902.00	1324662.00	2072079.00	956494.00	1248074.00	1504561.00	1227915.00	1019879.00	1069729.00	922207.00	1274294.00	947627.00	1767931.00	1097790.00	973104.00	1403267.00	1012307.00	962928.00	1054534.00	1099971.00	1667874.00	1022119.00
C34 H66 N3 O5	175677.00	286629.00	661830.00	161146.00	208143.00	208595.00	724311.00	282826.00	798142.00	53244.00	223522.00	280484.00	193408.00	425740.00	455831.00	525824.00	53166.00	694758.00	247610.00	316227.00	446510.00	310899.00	468096.00	373831.00	727786.00	1092419.00	482804.00	199035.00	501716.00	441745.00
C23 H34 N6	721376.00	734134.00	732135.00	699731.00	784231.00	762594.00	693468.00	685864.00	797270.00	672872.00	577314.00	531669.00	532952.00	519656.00	646208.00	651221.00	714547.00	636376.00	949500.00	672322.00	730695.00	566950.00	610221.00	526199.00	804932.00	737514.00	906862.00	946729.00	901137.00	875223.00
C6 H14 N3 S3	182262.00	138681.00	294024.00	191409.00	128238.00	218608.00	187281.00	197179.00	162288.00	203247.00	173332.00	194937.00	153101.00	126535.00	113187.00	169739.00	177643.00	185580.00	165154.00	155772.00	170274.00	140924.00	224556.00	102515.00	179566.00	168297.00	168640.00	171321.00	177943.00	207826.00
C3 H4 O2	1058918.00	653029.00	652015.00	954556.00	678978.00	784190.00	876226.00	775295.00	624206.00	925410.00	1417111.00	665400.00	873660.00	1047526.00	873320.00	704640.00	743469.00	636857.00	892411.00	662374.00	1227263.00	756817.00	706133.00	978788.00	707476.00	693364.00	732207.00	767585.00	1164913.00	714747.00
C6 H14 O6	861802.00	513905.00	1090837.00	33487.00	249537.00	50125.00	37690.00	1.00	67160.00	699853.00	107458.00	145703.00	46688.00	95834.00	279825.00	562609.00	222229.00	36441.00	692759.00	46517.00	73787.00	701593.00	37380.00	31248.00	637309.00	506427.00	1.00	291812.00	529853.00	663793.00
C7 H8 N2 O5	95881.00	535385.00	602680.00	404562.00	563172.00	462592.00	825111.00	71610.00	499346.00	192931.00	133572.00	614817.00	425132.00	87888.00	664198.00	191721.00	474641.00	937873.00	499573.00	517102.00	44033.00	391055.00	519159.00	460648.00	778037.00	758872.00	666093.00	449258.00	34134.00	394235.00
C30 H61 N29	611270.00	484407.00	853023.00	799015.00	720790.00	618787.00	680873.00	487754.00	774314.00	587374.00	365424.00	698094.00	1003030.00	535789.00	657214.00	536079.00	490523.00	631441.00	755099.00	601087.00	698872.00	419856.00	604685.00	714227.00	463735.00	520895.00	474160.00	669471.00	577811.00	459812.00
C33 H58 N10	136829.00	441192.00	724623.00	212739.00	288131.00	141986.00	969480.00	404918.00	764323.00	112947.00	283010.00	282898.00	223662.00	312701.00	474291.00	522769.00	76033.00	782092.00	317663.00	451502.00	540607.00	512123.00	439244.00	469193.00	617655.00	755064.00	603775.00	269022.00	423037.00	488137.00
C6 H O8 S	1012943.00	1032108.00	999611.00	1053077.00	984584.00	1001524.00	1024155.00	922421.00	963194.00	970566.00	409034.00	1012293.00	1032432.00	446879.00	1011512.00	1016028.00	1008583.00	1019157.00	1067753.00	943919.00	445426.00	975919.00	988952.00	991197.00	967429.00	904041.00	990943.00	978307.00	975406.00	912652.00
C41 H87 N2 O12 S	488853.00	706102.00	568132.00	341786.00	355935.00	419815.00	678687.00	617339.00	641408.00	804290.00	415630.00	397670.00	757819.00	488218.00	380789.00	740414.00	573062.00	709469.00	593350.00	591821.00	467385.00	573443.00	486318.00	653028.00	524171.00	478491.00	414903.00	526410.00	493494.00	584878.00
C26 H12 N2 O6	119682.00	99398.00	192629.00	146879.00	93840.00	163699.00	137482.00	147130.00	92675.00	123234.00	127179.00	142270.00	96059.00	95999.00	84446.00	115328.00	146332.00	115648.00	104062.00	92009.00	125171.00	96962.00	175167.00	69424.00	120676.00	125136.00	114437.00	140493.00	123415.00	136065.00
C5 H6 O3	750024.00	805254.00	809726.00	1221843.00	858844.00	994257.00	1127579.00	978315.00	811108.00	1189464.00	1806698.00	844075.00	1120169.00	1372405.00	1108109.00	947630.00	978264.00	814367.00	1159242.00	853233.00	1583306.00	543615.00	883426.00	1278030.00	929470.00	874155.00	974536.00	1022281.00	1538375.00	930864.00
C4 H2 O4 Esi-1.0510002	269385.00	896603.00	971244.00	965289.00	557896.00	1077466.00	198438.00	1802455.00	338871.00	948742.00	197293.00	622705.00	151252.00	896181.00	308375.00	422810.00	1786893.00	21818.00	1289369.00	987830.00	101779.00	294714.00	877788.00	1074180.00	1195203.00	71792.00	26755.00	423031.00	450977.00	913215.00
C4 H8 O3 Esi-3.7315378	449247.00	756835.00	677062.00	792157.00	851796.00	859561.00	748840.00	312014.00	1.00	381941.00	424627.00	622182.00	1307285.00	551121.00	1.00	1.00	181096.00	1.00	203413.00	770377.00	998983.00	540000.00	633355.00	586823.00	422299.00	939917.00	388563.00	739349.00	928535.00	915261.00
C18 H34 O2	123987.00	527281.00	372620.00	355971.00	308673.00	438992.00	389461.00	254275.00	410337.00	209052.00	182022.00	387526.00	436430.00	377579.00	329849.00	263052.00	143393.00	332908.00	691658.00	496253.00	258060.00	323312.00	237737.00	359494.00	253494.00	372249.00	254717.00	536443.00	353148.00	430594.00
C4 H4 N2 O6 S	1109115.00	1101935.00	1034347.00	1082612.00	1081512.00	1090286.00	1081782.00	1081790.00	1069642.00	1086043.00	1060637.00	1041304.00	1027416.00	1041435.00	1019702.00	986022.00	965977.00	977322.00	995422.00	915151.00	960718.00	957022.00	966568.00	950868.00	985038.00	958758.00	932456.00	958286.00	962287.00	958209.00
C27 H47 N3 O8	300475.00	405365.00	496417.00	88434.00	329961.00	376630.00	483494.00	244727.00	629755.00	378514.00	176651.00	454098.00	260205.00	212564.00	256246.00	454687.00	440536.00	580255.00	342662.00	414969.00	370984.00	261879.00	439852.00	443081.00	442720.00	258671.00	251705.00	397112.00	300217.00	256089.00
C12 H16 O3	175638.00	375688.00	91033.00	104723.00	273746.00	363666.00	162231.00	325736.00	73602.00	565073.00	215370.00	238171.00	242401.00	189192.00	248986.00	224064.00	790602.00	70835.00	377818.00	313091.00	267041.00	548364.00	235093.00	128748.00	203999.00	251565.00	265898.00	236443.00	387010.00	162365.00
C3 H4 O2 Esi-2.8359993	1058451.00	651397.00	652579.00	954654.00	678172.00	783414.00	875623.00	775314.00	260397.00	925318.00	1415756.00	665463.00	361482.00	1047560.00	873523.00	703325.00	742843.00	641338.00	892066.00	655859.00	1226777.00	756245.00	707387.00	979329.00	708075.00	693003.00	732899.00	767414.00	1165649.00	714747.00
C9 H12 N2 O6	295855.00	331593.00	555414.00	205418.00	405931.00	377242.00	302068.00	383076.00	431138.00	230232.00	585091.00	531234.00	467300.00	443839.00	362184.00	401235.00	384990.00	492135.00	364050.00	545581.00	328344.00	315959.00	392205.00	752213.00	412397.00	482425.00	188468.00	490732.00	303282.00	379353.00
C4 H6 O3 Esi-2.8359993	1547680.00	942440.00	931295.00	1391793.00	1003102.00	1130262.00	1295837.00	1127166.00	918770.00	1343426.00	2088364.00	960802.00	1253807.00	1529545.00	1237574.00	1029561.00	1084546.00	930590.00	1281679.00	957680.00	1776874.00	1108770.00	981516.00	1410553.00	1038936.00	985001.00	1066108.00	1118117.00	1681375.00	1031379.00
C21 H4 N2 O	53893.00	60041.00	132114.00	92200.00	74594.00	136898.00	121182.00	116744.00	66800.00	84962.00	81868.00	83049.00	60304.00	65895.00	64946.00	87473.00	121675.00	59339.00	97595.00	61255.00	79001.00	80996.00	117442.00	57750.00	88288.00	98032.00	83863.00	114984.00	77573.00	78971.00
C8 H5 O7 S	1.00	397596.00	735833.00	291143.00	1854975.00	1.00	1.00	727121.00	1.00	1.00	1.00	1.00	2344475.00	1.00	1.00	1.00	1.00	1.00	554075.00	1586391.00	2376580.00	1.00	564854.00	1094504.00	2200494.00	1.00	474270.00	1.00	1.00	1.00
C12 H7 N3 S	29432.00	22687.00	50137.00	30486.00	19607.00	34634.00	31400.00	30107.00	25896.00	34118.00	29050.00	31126.00	24670.00	20927.00	17173.00	26771.00	30221.00	31728.00	28561.00	24539.00	25938.00	21777.00	34515.00	16676.00	28449.00	27345.00	26234.00	27335.00	26517.00	34181.00
C9 H2 N2 O5 S	669426.00	672545.00	634662.00	651132.00	703780.00	683292.00	672047.00	687247.00	667429.00	669158.00	631626.00	659676.00	611576.00	679752.00	683052.00	670889.00	719465.00	710405.00	716031.00	664550.00	677703.00	678217.00	678742.00	705825.00	714373.00	717739.00	689749.00	717194.00	646525.00	691067.00
Linoleic acid	107948.00	420751.00	357996.00	250179.00	272996.00	380824.00	452257.00	244783.00	354134.00	207396.00	274554.00	330344.00	356016.00	278255.00	350695.00	271305.00	191885.00	314810.00	574188.00	377958.00	320362.00	451929.00	163806.00	327185.00	254477.00	366724.00	265377.00	426603.00	370687.00	357676.00
C21 H4 N2 O Esi-1.0529996	82639.00	67688.00	128609.00	97430.00	59359.00	106049.00	93850.00	96159.00	64425.00	83956.00	79208.00	89852.00	64121.00	61615.00	53589.00	74609.00	83520.00	76869.00	72159.00	63934.00	83930.00	61579.00	113203.00	46661.00	82476.00	77480.00	74298.00	89804.00	80178.00	101536.00
C44 H91 N2 O7 S3	294252.00	354386.00	472856.00	375466.00	327520.00	307327.00	501188.00	291484.00	591765.00	425729.00	267603.00	325074.00	409209.00	295509.00	401810.00	282226.00	329755.00	447485.00	431755.00	320251.00	323485.00	222225.00	414962.00	437882.00	314164.00	369104.00	257681.00	344465.00	295080.00	351789.00
C4 H4 N4 O2	774037.00	501901.00	654491.00	456975.00	472268.00	425820.00	478628.00	548239.00	580034.00	588169.00	421674.00	479657.00	325121.00	377568.00	632545.00	600580.00	387309.00	720699.00	441097.00	743827.00	393733.00	323094.00	548540.00	542838.00	562651.00	420523.00	436020.00	631602.00	471931.00	845600.00
C25 H40 N13 O10	434770.00	393021.00	456743.00	479015.00	469840.00	449355.00	510035.00	417557.00	458900.00	445318.00	468758.00	473669.00	430726.00	472634.00	499196.00	564590.00	465815.00	443004.00	685853.00	477228.00	536545.00	432923.00	540736.00	551589.00	410935.00	534806.00	490067.00	544335.00	551265.00	619413.00
C17 H26 O4	489278.00	376399.00	504842.00	328433.00	466962.00	546814.00	380420.00	286767.00	466466.00	428107.00	478839.00	519277.00	377478.00	539645.00	354422.00	340871.00	414186.00	305578.00	432410.00	330241.00	349182.00	385744.00	344280.00	424712.00	394816.00	389074.00	355952.00	305017.00	379593.00	312417.00
C16 H6 N8 O4	149912.00	123240.00	238346.00	181104.00	117595.00	211023.00	173350.00	184918.00	120845.00	156188.00	158696.00	171127.00	127001.00	120343.00	103561.00	143023.00	192077.00	138394.00	132349.00	116816.00	150877.00	121664.00	214994.00	87176.00	143343.00	154363.00	135702.00	169036.00	145066.00	156230.00
C4 H2 O4 Esi-2.8339999	890657.00	667418.00	757306.00	782539.00	654624.00	734164.00	733534.00	765571.00	772078.00	697105.00	911762.00	621710.00	713426.00	796843.00	779333.00	625755.00	661003.00	646779.00	722002.00	649919.00	750883.00	650402.00	714452.00	678095.00	631303.00	649567.00	644859.00	640765.00	892580.00	664998.00
C5 H6 O3 Esi-2.8359993	1368566.00	812926.00	807738.00	1232715.00	868918.00	993044.00	1128465.00	985334.00	829345.00	1186775.00	1840071.00	844361.00	1123613.00	1371971.00	1114959.00	943031.00	978410.00	831386.00	1159446.00	857221.00	1585290.00	1011902.00	894984.00	539392.00	394689.00	897947.00	980917.00	1017430.00	1531482.00	923938.00
C9 H12 N2 O6 Esi-2.2200005	576338.00	261095.00	248635.00	260900.00	181703.00	214379.00	186985.00	145969.00	372991.00	220234.00	372713.00	203327.00	230183.00	225292.00	293558.00	276420.00	292757.00	278371.00	298205.00	458754.00	129649.00	166895.00	224436.00	256173.00	301631.00	205184.00	246293.00	177884.00	164444.00	270830.00
C10 H8 N3 O S Esi-2.8359993	4286491.00	2910805.00	2777981.00	3862874.00	3277142.00	3443494.00	3799207.00	3182557.00	2808053.00	3752728.00	5125792.00	3070735.00	3520046.00	4112562.00	3533863.00	3436623.00	3340352.00	2919643.00	4085433.00	3169626.00	4784186.00	3214556.00	3274912.00	4157565.00	3583099.00	3131416.00	3323846.00	3485714.00	4630102.00	3273096.00
C6 H10 N3 O2 S Esi-4.0999994	723248.00	1791956.00	1136780.00	1468067.00	1167885.00	345229.00	1.00	1285754.00	1.00	759592.00	1654781.00	2168708.00	1914850.00	1.00	1.00	1.00	752941.00	1.00	2503029.00	1383407.00	1.00	1.00	1.00	1.00	1.00	709786.00	3330357.00	1.00	507582.00	1.00
C12 H6 O7	275678.00	310928.00	314214.00	254322.00	313122.00	268080.00	348466.00	456733.00	204211.00	490751.00	238827.00	182513.00	166090.00	341320.00	283256.00	266068.00	305710.00	207724.00	212634.00	311237.00	236903.00	288582.00	222980.00	204403.00	196581.00	259686.00	251131.00	402042.00	401531.00	191834.00
C26 H44 N3 O3	56002.00	123867.00	310979.00	159509.00	177146.00	119862.00	321840.00	193022.00	334397.00	22279.00	365410.00	242588.00	228951.00	240839.00	255026.00	122399.00	35051.00	506261.00	218006.00	144945.00	286008.00	342090.00	152314.00	354873.00	252460.00	231222.00	415167.00	140758.00	259345.00	381740.00
C31 H19 N8 O27 S Esi-5.3840003	1.00	1.00	321400.00	189724.00	1.00	1.00	1361819.00	1655408.00	1.00	1.00	1950829.00	1.00	158659.00	1.00	1.00	1.00	297752.00	1031418.00	1.00	1.00	469252.00	262935.00	246936.00	390473.00	220039.00	646170.00	2133017.00	1.00	1.00	1.00
L-Lactic acid Esi-2.8399992 :1	18000000.00	10700000.00	6158859.00	16300000.00	11500000.00	13300000.00	14900000.00	13100000.00	10600000.00	15400000.00	24300000.00	11200000.00	14500000.00	17800000.00	14400000.00	11800000.00	12300000.00	10700000.00	14800000.00	10900000.00	20300000.00	12700000.00	11300000.00	16500000.00	11800000.00	11500000.00	12300000.00	12900000.00	19700000.00	11800000.00
C35 H38 N3 O3	29225.00	43039.00	144485.00	74363.00	61210.00	61259.00	88305.00	56126.00	98944.00	48302.00	20964.00	78623.00	542975.00	78599.00	111429.00	47837.00	15054.00	280499.00	20333.00	17878.00	35002.00	21765.00	65561.00	51928.00	34887.00	27490.00	180159.00	87850.00	41130.00	133030.00
C3 H6 N3 S	619431.00	597047.00	599468.00	397658.00	295117.00	403134.00	584397.00	559237.00	709234.00	752732.00	448727.00	685605.00	652115.00	438729.00	697636.00	959716.00	810305.00	625051.00	687340.00	579386.00	46255.00	909384.00	619229.00	672484.00	520266.00	528101.00	421815.00	610551.00	755272.00	589553.00
C4 H2 S3	1.00	636414.00	350398.00	546435.00	346087.00	556849.00	416325.00	1.00	631169.00	324656.00	1.00	1.00	660034.00	252915.00	205289.00	1.00	207280.00	1.00	625144.00	693146.00	1.00	329547.00	1.00	536908.00	316234.00	611155.00	590727.00	519480.00	1.00	1.00
C15 H12 N6 O5 S	477912.00	291435.00	378395.00	258196.00	267337.00	237116.00	281831.00	330594.00	352730.00	341725.00	233149.00	274042.00	152534.00	189914.00	370139.00	356936.00	209749.00	458171.00	253973.00	468551.00	215557.00	199447.00	322960.00	340361.00	321040.00	230548.00	243069.00	392698.00	269948.00	497069.00
C30 H63 N29	321897.00	519532.00	394191.00	241974.00	247292.00	233449.00	402188.00	406064.00	355513.00	377228.00	267699.00	337066.00	548596.00	320108.00	336371.00	434634.00	437849.00	403641.00	364044.00	428180.00	312856.00	263813.00	380083.00	421647.00	356402.00	403804.00	252538.00	367847.00	301850.00	506698.00
C14 H28 N3 O2	63565.00	102487.00	214246.00	67005.00	93935.00	99310.00	197353.00	98194.00	202566.00	14837.00	111676.00	118288.00	160178.00	217570.00	187826.00	148876.00	22329.00	389541.00	117999.00	75447.00	128381.00	116930.00	208900.00	157351.00	326125.00	293159.00	320618.00	123735.00	203519.00	271987.00
C15 H6 N O S2	490616.00	404744.00	399071.00	461685.00	402843.00	430057.00	441046.00	424952.00	398823.00	435653.00	501497.00	403881.00	436732.00	474156.00	423816.00	409905.00	408392.00	387392.00	429763.00	386961.00	474233.00	417753.00	400786.00	448582.00	393589.00	384573.00	415595.00	403328.00	469736.00	386453.00
C8 H7 N O4 S	332274.00	1.00	163298.00	49010.00	40515.00	79377.00	14328.00	485977.00	21942.00	189021.00	258423.00	47217.00	1.00	75300.00	133303.00	41809.00	259195.00	137943.00	56879.00	1.00	39493.00	21551.00	73861.00	74341.00	59514.00	82604.00	22954.00	46324.00	40334.00	19239.00
C9 H4 N O10 S	441637.00	427566.00	419396.00	418963.00	461508.00	434728.00	453212.00	468168.00	425446.00	431026.00	392889.00	437667.00	422022.00	446443.00	450328.00	421836.00	459421.00	464566.00	480242.00	425835.00	454424.00	424108.00	417074.00	434800.00	450582.00	485456.00	459799.00	456502.00	427751.00	438753.00
C4 H6 O6	68715.00	55391.00	109767.00	80022.00	50108.00	86814.00	79136.00	79421.00	57016.00	74935.00	66620.00	75712.00	53708.00	51191.00	45065.00	60938.00	69509.00	66945.00	61283.00	53843.00	67048.00	50896.00	93278.00	37512.00	68139.00	65014.00	62623.00	73035.00	66818.00	85793.00
C10 H4 O4	345725.00	367564.00	372331.00	313178.00	366636.00	321206.00	404351.00	515327.00	244317.00	531197.00	282145.00	219483.00	203810.00	396728.00	333390.00	330565.00	367785.00	256753.00	251703.00	367386.00	278333.00	344045.00	267301.00	243864.00	241954.00	315311.00	305391.00	470159.00	456946.00	236622.00
C8 H5 O7 S Esi-4.175	1537324.00	1935375.00	1674457.00	1742319.00	1459560.00	1.00	1195832.00	1.00	751986.00	1365260.00	1797924.00	1760875.00	2428646.00	1.00	1.00	1.00	1330047.00	1767678.00	655406.00	553980.00	1.00	1.00	51832.00	1.00	1.00	1295269.00	1956747.00	1.00	1269602.00	1.00
C34 H60 N3 O3	47090.00	248224.00	210630.00	127227.00	165893.00	65820.00	482957.00	105977.00	253122.00	147884.00	348000.00	157959.00	76104.00	131902.00	172854.00	122305.00	79577.00	387729.00	230595.00	235511.00	295068.00	405906.00	108001.00	206508.00	190813.00	213300.00	212179.00	140240.00	267985.00	191065.00
C18 H11 N10	300539.00	195683.00	546653.00	271592.00	544509.00	510509.00	266111.00	678486.00	416227.00	810505.00	427567.00	404418.00	231608.00	741909.00	557799.00	458342.00	508371.00	412205.00	207393.00	487100.00	615832.00	213115.00	440662.00	205551.00	401212.00	442291.00	451581.00	612098.00	817392.00	389051.00
C6 H13 N O9	367420.00	228683.00	244349.00	356153.00	228313.00	269902.00	318425.00	264413.00	254061.00	321325.00	471676.00	252359.00	312224.00	330323.00	295763.00	254317.00	254947.00	257286.00	299309.00	221828.00	411733.00	276377.00	266461.00	321267.00	241955.00	231667.00	277949.00	262993.00	409207.00	267564.00
C3 H4 N2 O5 S	559927.00	579583.00	516084.00	568278.00	577652.00	575415.00	577213.00	581313.00	590440.00	575612.00	582960.00	579699.00	567353.00	569536.00	569571.00	562249.00	560439.00	557393.00	561812.00	557550.00	549791.00	554862.00	568190.00	551224.00	519436.00	542472.00	508638.00	556836.00	568021.00	512874.00
C18 H34 N3 O14 S	392375.00	228551.00	140481.00	341790.00	121948.00	273323.00	354483.00	371353.00	105315.00	488770.00	555363.00	196437.00	295329.00	463231.00	303286.00	219864.00	253546.00	93896.00	256447.00	244285.00	367841.00	289431.00	227673.00	278125.00	193746.00	211826.00	236031.00	339472.00	543276.00	188265.00
C17 H25 N O5	32579.00	113358.00	219221.00	262913.00	173821.00	138967.00	15293.00	17321.00	212257.00	216142.00	110227.00	156917.00	337115.00	1.00	248379.00	324849.00	387759.00	246467.00	345840.00	158383.00	256311.00	210522.00	315124.00	374662.00	317184.00	367923.00	355169.00	264180.00	215886.00	266957.00
C5 H6 N5 O2	202190.00	243675.00	224497.00	267949.00	246419.00	187455.00	254112.00	229318.00	253047.00	350647.00	37621.00	167302.00	129356.00	90818.00	246741.00	203586.00	255801.00	215885.00	429412.00	174765.00	298244.00	269173.00	267177.00	264409.00	198609.00	249408.00	267606.00	260924.00	173770.00	304048.00
C9 H10 N4 S	399387.00	544697.00	207255.00	388359.00	239839.00	398128.00	488564.00	306923.00	183588.00	714449.00	403113.00	200999.00	414008.00	585987.00	613360.00	565417.00	641157.00	203946.00	384416.00	558665.00	384390.00	547375.00	211005.00	350107.00	514006.00	575147.00	423555.00	308209.00	500537.00	479307.00
C13 H12 N3 O4	224025.00	412125.00	138763.00	278791.00	547779.00	483268.00	261230.00	55288.00	92625.00	132868.00	1.00	79262.00	175080.00	678724.00	171977.00	132282.00	1.00	1.00	317523.00	159791.00	105098.00	516099.00	54296.00	85422.00	51924.00	321948.00	56141.00	360465.00	353724.00	119078.00
C14 H N S2	264407.00	360208.00	333479.00	421016.00	343158.00	344477.00	366878.00	351202.00	307635.00	350676.00	226485.00	327669.00	363351.00	343667.00	203700.00	385733.00	280699.00	307302.00	341982.00	268985.00	350673.00	367101.00	337184.00	365340.00	348866.00	316596.00	316517.00	318194.00	393710.00	287004.00
C30 H24 N4 O30 S2	147190.00	408575.00	93644.00	341240.00	111962.00	1.00	1.00	1.00	288690.00	93178.00	1.00	453409.00	449330.00	133863.00	207121.00	1.00	58147.00	87209.00	1.00	25501.00	286033.00	1.00	39149.00	144922.00	78283.00	179633.00	70200.00	146556.00	63110.00	211934.00
C4 H5 O2	343523.00	187136.00	212776.00	295165.00	204745.00	224251.00	257792.00	254679.00	188373.00	275646.00	444783.00	170150.00	238742.00	284447.00	261853.00	195099.00	174867.00	230268.00	236185.00	190547.00	330639.00	224220.00	195520.00	263963.00	196773.00	182541.00	217191.00	206183.00	353856.00	216458.00
C8 H14 N3 O2 S	138565.00	384370.00	112017.00	112414.00	289865.00	327734.00	158351.00	1.00	92038.00	60638.00	25961.00	23397.00	187847.00	399863.00	136567.00	94050.00	1.00	24209.00	348702.00	107853.00	50997.00	327546.00	21527.00	43016.00	17125.00	211511.00	23602.00	221409.00	199722.00	49509.00
C7 N O	290327.00	1.00	267591.00	659649.00	215568.00	676811.00	674235.00	1.00	1.00	1.00	20108.00	73015.00	1.00	39343.00	10107.00	65913.00	1.00	1.00	1.00	679351.00	1.00	1.00	1.00	317038.00	299323.00	1.00	1.00	1.00	60709.00	1.00
Glutamine	253611.00	295492.00	259873.00	303121.00	296048.00	228723.00	292693.00	269086.00	296403.00	384000.00	62087.00	210896.00	168432.00	126207.00	287707.00	238090.00	293096.00	241420.00	451964.00	205721.00	334662.00	302166.00	298825.00	300036.00	228272.00	283348.00	297317.00	297912.00	214428.00	329953.00
C3 H8 O S	85601.00	66260.00	129042.00	88798.00	61795.00	93431.00	91018.00	89774.00	84993.00	101647.00	80724.00	92808.00	76936.00	59547.00	47650.00	70083.00	79850.00	85875.00	76250.00	78315.00	72025.00	59859.00	94355.00	44410.00	80212.00	74772.00	77679.00	81581.00	76204.00	89919.00
C31 H19 N8 O27 S Esi-5.19047	1.00	1.00	1398145.00	49633.00	1.00	1.00	1976269.00	1741061.00	1.00	345500.00	1.00	1.00	1.00	1.00	1.00	1.00	617078.00	258568.00	1919966.00	1.00	249784.00	366081.00	582449.00	1595721.00	811076.00	439754.00	1547442.00	2084194.00	2236299.00	1.00
C3 H4 O2 Esi-2.8359993 :1	1058079.00	388329.00	652539.00	953550.00	678680.00	783463.00	875545.00	774512.00	627649.00	926299.00	1416722.00	663005.00	872983.00	1046967.00	870262.00	702607.00	743275.00	637178.00	892711.00	662941.00	1228219.00	755579.00	705082.00	981060.00	706545.00	398321.00	733306.00	767687.00	1166216.00	714155.00
C3 H6 N3 S Esi-4.103	67365.00	1.00	1208498.00	666003.00	486673.00	1.00	1.00	463940.00	595984.00	1.00	857216.00	25785.00	1057533.00	1.00	1.00	1.00	1.00	1.00	611058.00	653424.00	1.00	1.00	988320.00	503736.00	1049517.00	1.00	872255.00	1355286.00	188207.00	1.00
C4 H2 S3 Esi-1.3379998	64533.00	285231.00	483061.00	325629.00	193202.00	244148.00	555634.00	633836.00	1.00	1.00	338926.00	449642.00	516217.00	1.00	319745.00	457973.00	1.00	392056.00	368935.00	173104.00	245292.00	354535.00	1.00	451646.00	467347.00	492086.00	261835.00	462944.00	424673.00	1.00
C6 H14 N3 S3 Esi-1.1240002	41974.00	41162.00	86063.00	58987.00	45389.00	77650.00	66871.00	68005.00	49870.00	59198.00	50585.00	57588.00	39570.00	45333.00	45696.00	69763.00	71319.00	44476.00	58862.00	39906.00	55130.00	60522.00	82960.00	46658.00	60302.00	59694.00	47983.00	70328.00	52848.00	60586.00
C31 H19 N8 O27 S Esi-6.0230007	1226858.00	179445.00	97260.00	507902.00	2203207.00	1.00	2560230.00	1.00	2365199.00	1.00	3126190.00	1919189.00	1799919.00	2315584.00	653305.00	1.00	1.00	1.00	1.00	2359583.00	1.00	627886.00	1057428.00	593734.00	1676943.00	1.00	1.00	3338082.00	2212606.00	1.00
C12 H10 O S	1.00	253963.00	525136.00	43551.00	1039112.00	1.00	1.00	338312.00	157441.00	1.00	1044557.00	1.00	865018.00	1.00	1.00	1.00	1.00	1.00	213752.00	107544.00	942779.00	1.00	242026.00	959319.00	262582.00	8966.00	154634.00	671679.00	1.00	1.00
C5 H4 N4 O2	59334.00	90099.00	170893.00	116141.00	198296.00	119860.00	67403.00	131349.00	140578.00	52669.00	196910.00	161622.00	238247.00	101886.00	57777.00	92509.00	91293.00	97863.00	206093.00	96418.00	172450.00	116825.00	125514.00	205125.00	85896.00	202332.00	56854.00	415312.00	61887.00	140232.00
C7 H14 N2 O6	203399.00	137577.00	172638.00	149455.00	122619.00	224914.00	211815.00	133711.00	57001.00	112004.00	332367.00	232001.00	112268.00	142013.00	195590.00	112788.00	170382.00	97149.00	59075.00	118387.00	161088.00	143771.00	158366.00	122220.00	105327.00	178962.00	96834.00	118878.00	240567.00	266038.00
C16 H6 N8 O4 Esi-1.0919995	149912.00	123240.00	238346.00	181104.00	117595.00	211023.00	173350.00	184918.00	120845.00	156188.00	158696.00	171127.00	127001.00	120343.00	103561.00	143023.00	192077.00	138394.00	132349.00	116816.00	150877.00	121664.00	214994.00	86920.00	143343.00	154363.00	135702.00	169036.00	145066.00	156230.00
C8 H3 N O8 S2	399828.00	401561.00	389531.00	401306.00	405520.00	397601.00	415184.00	412127.00	392645.00	416658.00	228249.00	423461.00	408249.00	413086.00	422298.00	442844.00	418045.00	423461.00	423636.00	404398.00	420451.00	394876.00	428261.00	425272.00	437536.00	414026.00	427516.00	401920.00	404924.00	433079.00
C8 H24 Cl N6 O6 S	331824.00	278503.00	546653.00	301884.00	544509.00	510509.00	348004.00	678486.00	416227.00	810505.00	428469.00	404418.00	272247.00	741909.00	557799.00	458342.00	508371.00	412205.00	276713.00	487100.00	615832.00	298984.00	440662.00	291601.00	401212.00	442291.00	451581.00	612098.00	817392.00	389051.00
C3 H4 O	244848.00	378710.00	417311.00	563685.00	387045.00	473309.00	556376.00	439478.00	396889.00	530328.00	402134.00	425424.00	525690.00	586145.00	530723.00	401309.00	475494.00	1.00	481740.00	1.00	741504.00	463202.00	466712.00	555978.00	192528.00	442815.00	437410.00	469572.00	668412.00	445871.00
C15 H32 N12 O	234283.00	243149.00	236968.00	236464.00	253532.00	255766.00	225262.00	229444.00	259445.00	220182.00	188485.00	172742.00	174824.00	170035.00	220142.00	209698.00	236093.00	212705.00	313527.00	217877.00	237889.00	185675.00	197338.00	170614.00	259168.00	246661.00	297347.00	308614.00	291117.00	291027.00
Hypoxanthine	90503.00	79596.00	365452.00	161812.00	364984.00	122515.00	80805.00	218583.00	243203.00	69149.00	338266.00	220358.00	137563.00	151838.00	57534.00	107772.00	66667.00	232382.00	162583.00	107749.00	107222.00	125277.00	182477.00	233698.00	101375.00	105301.00	71856.00	165143.00	76326.00	58346.00
C10 H18 N13 O3	10241.00	35815.00	88749.00	319100.00	93749.00	148618.00	27052.00	40766.00	174717.00	82201.00	28484.00	12455.00	15166.00	18292.00	64317.00	30780.00	12621.00	142470.00	19594.00	50690.00	159415.00	26753.00	19450.00	189655.00	34172.00	86215.00	43795.00	70855.00	1.00	102377.00
C3 H6 O3	136778.00	102248.00	129588.00	101047.00	147128.00	901478.00	274735.00	269267.00	50657.00	316555.00	478968.00	204973.00	80701.00	254433.00	384301.00	222399.00	739020.00	93464.00	467376.00	110199.00	250098.00	1256516.00	18596.00	79298.00	260437.00	254417.00	174144.00	145199.00	799865.00	323302.00
C22 H6 N2	51032.00	63056.00	145724.00	51316.00	38229.00	111377.00	89465.00	52984.00	71351.00	61073.00	41456.00	59758.00	69353.00	75304.00	70376.00	90369.00	93273.00	49422.00	78055.00	75075.00	89789.00	78095.00	117261.00	55071.00	93166.00	83947.00	76690.00	87555.00	90702.00	63318.00
C26 H46 N3 O3	51622.00	168018.00	227010.00	113286.00	149027.00	102689.00	247155.00	144567.00	248973.00	32363.00	172478.00	169883.00	182211.00	211649.00	233195.00	124002.00	33133.00	298690.00	183655.00	130922.00	167640.00	273711.00	140107.00	223175.00	211816.00	229006.00	303757.00	133597.00	236142.00	341362.00
C3 H6 N2 O3 S2	325389.00	334797.00	327698.00	325918.00	356460.00	331923.00	364787.00	338505.00	330578.00	334322.00	302441.00	326113.00	304726.00	330526.00	339345.00	326551.00	352395.00	344194.00	354202.00	322077.00	325588.00	324249.00	323374.00	351606.00	344366.00	348325.00	341422.00	347028.00	321818.00	341395.00
C19 H17 N10 O11 S	276782.00	189231.00	238640.00	165636.00	175370.00	150873.00	183274.00	205859.00	218096.00	215655.00	152118.00	176178.00	83824.00	106304.00	235512.00	218826.00	132862.00	274429.00	160951.00	278910.00	134057.00	124279.00	203048.00	210772.00	200829.00	139509.00	150630.00	233629.00	183970.00	293274.00
C33 H6 N3 O4	33893.00	28033.00	65444.00	42718.00	23814.00	49228.00	43410.00	48387.00	27470.00	35435.00	36713.00	39617.00	28290.00	27650.00	22037.00	31394.00	42220.00	31010.00	32780.00	26097.00	34573.00	30831.00	56088.00	20281.00	36232.00	35099.00	30466.00	44305.00	35585.00	40848.00
C25 H12 N2 S	48948.00	49539.00	98410.00	71961.00	44919.00	82183.00	62678.00	66987.00	49999.00	34319.00	56843.00	72693.00	44074.00	45259.00	46326.00	70561.00	64416.00	67742.00	56297.00	57741.00	66110.00	60330.00	90036.00	50139.00	109728.00	62210.00	56998.00	75277.00	75344.00	61651.00
C4 H6 O4	73228.00	125645.00	129546.00	89359.00	113795.00	90133.00	64192.00	108288.00	140487.00	102853.00	101433.00	69332.00	258526.00	135802.00	73760.00	151440.00	75783.00	130221.00	353256.00	144587.00	78664.00	75267.00	371521.00	110790.00	93577.00	75706.00	214873.00	114230.00	95798.00	101064.00
C6 H6 O5 S	82538.00	1.00	92752.00	1.00	16941.00	19146.00	36614.00	41013.00	17141.00	46871.00	15035.00	11627.00	26197.00	1.00	342747.00	80664.00	152609.00	65875.00	96064.00	1.00	10271.00	18877.00	26921.00	27617.00	31053.00	1.00	1.00	24155.00	20906.00	1.00
C4 H4 Cl N6 O	244524.00	266061.00	271106.00	222659.00	264983.00	225603.00	283762.00	382376.00	175884.00	390231.00	197180.00	159986.00	141994.00	282336.00	240580.00	237863.00	261309.00	184306.00	180760.00	271479.00	195569.00	258041.00	200619.00	175754.00	172061.00	230245.00	218462.00	347182.00	335566.00	165790.00
C22 H32 O2	39641.00	35838.00	137807.00	91682.00	79376.00	152002.00	55810.00	72997.00	98686.00	60034.00	48009.00	141939.00	200269.00	113438.00	117887.00	59531.00	23656.00	65636.00	303985.00	84148.00	99020.00	55670.00	95538.00	72440.00	52360.00	69022.00	51158.00	114526.00	98031.00	140202.00
C31 H36 N5 O15	198439.00	250519.00	217826.00	197516.00	210983.00	217577.00	241028.00	191303.00	237171.00	340100.00	163486.00	232938.00	238020.00	203504.00	272009.00	282375.00	270798.00	193099.00	290062.00	256021.00	249634.00	181190.00	263413.00	264356.00	189197.00	229691.00	190052.00	245337.00	248576.00	258929.00
C34 H62 N3 O4	46234.00	159627.00	222071.00	94431.00	105028.00	59479.00	360773.00	113981.00	272616.00	47782.00	151094.00	108237.00	73772.00	112025.00	162262.00	134620.00	31979.00	331594.00	148792.00	170012.00	194477.00	252732.00	133265.00	181378.00	207272.00	216354.00	199821.00	110780.00	193715.00	179192.00
C5 H O6 S	405865.00	358403.00	326817.00	381333.00	326371.00	365849.00	390825.00	354259.00	335174.00	343460.00	221778.00	345907.00	372784.00	374177.00	328944.00	353701.00	233358.00	330177.00	415305.00	349534.00	367657.00	384901.00	366205.00	352688.00	327964.00	333961.00	368617.00	352361.00	370979.00	338760.00
C6 H O8 S Esi-2.847	1012943.00	1013409.00	1010579.00	1051933.00	995059.00	993520.00	1011873.00	920205.00	962691.00	1011955.00	413158.00	1012760.00	1027156.00	446783.00	1011017.00	1014929.00	1007039.00	920012.00	1071544.00	817139.00	454455.00	985536.00	988374.00	987827.00	916687.00	951602.00	998351.00	976505.00	769086.00	911956.00
C22 H6 N2 Esi-1.0839998	33180.00	64226.00	149732.00	42358.00	33458.00	112545.00	41058.00	98959.00	74552.00	29399.00	42678.00	45645.00	97039.00	77725.00	73460.00	90369.00	93273.00	48765.00	78055.00	75075.00	90720.00	78369.00	118702.00	55859.00	38747.00	84229.00	82298.00	89656.00	91705.00	107818.00
C5 H8 N5 O2 S	28993.00	174803.00	205075.00	154057.00	196884.00	155780.00	273863.00	1.00	178271.00	74791.00	68239.00	221042.00	146642.00	34301.00	245676.00	79991.00	166020.00	345297.00	169778.00	199300.00	1.00	140875.00	182808.00	172579.00	265900.00	243359.00	234129.00	180266.00	1.00	163843.00
Inosine	115882.00	37184.00	152954.00	125442.00	315246.00	116222.00	94169.00	116006.00	195932.00	74156.00	26352.00	217499.00	15166.00	160466.00	47777.00	106955.00	47464.00	161405.00	105233.00	35968.00	76770.00	71957.00	163026.00	170922.00	71106.00	32489.00	37795.00	74385.00	43732.00	167785.00
C4 H2 O4 Esi-5.9600015	407076.00	330502.00	322973.00	318110.00	377003.00	390408.00	403190.00	301798.00	328892.00	371699.00	224159.00	315553.00	279967.00	254143.00	271134.00	326631.00	388944.00	400105.00	242492.00	329179.00	270584.00	268425.00	387643.00	346595.00	333559.00	352194.00	292725.00	577202.00	228372.00	323869.00
C30 H58 N9 O3	50207.00	110628.00	174708.00	60574.00	101359.00	34914.00	273903.00	124656.00	161873.00	52452.00	83539.00	75602.00	59664.00	77145.00	129756.00	126565.00	27662.00	338461.00	99094.00	136209.00	219841.00	128930.00	122098.00	143173.00	141423.00	204769.00	167231.00	73546.00	106608.00	133806.00
C29 H50 N10	78411.00	113702.00	223949.00	72123.00	96112.00	55110.00	209600.00	100541.00	177010.00	25056.00	139794.00	94422.00	179426.00	201566.00	174059.00	144785.00	20178.00	284354.00	102808.00	64397.00	123173.00	180581.00	159764.00	116020.00	255240.00	159212.00	346143.00	113194.00	136063.00	324451.00
C24 H48 N6 O3	70415.00	130445.00	270303.00	93743.00	126135.00	102179.00	215037.00	134864.00	203454.00	13635.00	100729.00	126473.00	225160.00	221060.00	200885.00	116887.00	21314.00	318095.00	125233.00	76821.00	154501.00	208580.00	198469.00	174648.00	255499.00	231501.00	301600.00	122319.00	187431.00	266778.00
C3 H3 Cl N3 S	251758.00	280251.00	242284.00	175224.00	225042.00	202723.00	392019.00	249543.00	337067.00	281915.00	288383.00	219893.00	278982.00	306309.00	326428.00	320657.00	312387.00	232328.00	332713.00	362452.00	271594.00	330689.00	250012.00	251775.00	298137.00	240608.00	257850.00	275081.00	302810.00	334787.00
C28 H56 N6 O4	61186.00	92177.00	206505.00	60819.00	88619.00	93649.00	192490.00	90623.00	194104.00	1.00	108538.00	109248.00	151113.00	210563.00	182209.00	142262.00	14678.00	382053.00	107401.00	63574.00	121825.00	112360.00	202679.00	149343.00	318177.00	285335.00	315161.00	114400.00	198012.00	261812.00
C29 H47 N3 O8	84816.00	148247.00	188041.00	15479.00	84864.00	106906.00	236736.00	77410.00	120778.00	109943.00	40967.00	143715.00	108629.00	41917.00	81315.00	259726.00	199809.00	224905.00	134864.00	171374.00	153755.00	130550.00	86533.00	255104.00	108002.00	82353.00	96357.00	175858.00	136826.00	60675.00
C23 H28 N18 O10	189294.00	244799.00	214783.00	194963.00	209454.00	208547.00	230107.00	185641.00	219482.00	329831.00	154365.00	230032.00	228054.00	195588.00	264557.00	266868.00	255695.00	186204.00	270813.00	243320.00	244030.00	175174.00	251374.00	253302.00	183096.00	220138.00	184933.00	234489.00	232172.00	252398.00
C20 H32 O2	50386.00	67330.00	134181.00	131040.00	106807.00	133098.00	128083.00	87834.00	126821.00	79870.00	85127.00	155443.00	192923.00	103842.00	123894.00	79785.00	49756.00	85885.00	267811.00	101278.00	121398.00	62143.00	90790.00	120224.00	80046.00	129180.00	79547.00	147654.00	119851.00	141640.00
C34 H60 N3 O4	41370.00	130750.00	202505.00	79702.00	112176.00	46289.00	310895.00	102870.00	194526.00	52288.00	106481.00	88674.00	59781.00	89005.00	137338.00	100325.00	28262.00	317967.00	130709.00	159308.00	208480.00	188453.00	104786.00	189787.00	152517.00	183873.00	167918.00	89086.00	137896.00	156035.00
C6 H O8 S Esi-2.8419995	1.00	1015205.00	1006692.00	1.00	1036133.00	1003062.00	1.00	926608.00	988859.00	1.00	600237.00	1014147.00	1035867.00	622946.00	1013101.00	1016747.00	1007818.00	931027.00	1.00	933767.00	1.00	976268.00	1.00	1.00	985825.00	950745.00	991674.00	978404.00	1.00	944804.00
C18 H30 O2	24938.00	107450.00	64759.00	54756.00	62266.00	45082.00	150457.00	43570.00	76311.00	30185.00	66606.00	71036.00	50760.00	52717.00	74453.00	55528.00	39818.00	164111.00	87100.00	89359.00	110841.00	96054.00	44399.00	82810.00	63072.00	65959.00	54534.00	72882.00	91815.00	70407.00
C8 H10 N4 O3 S	26043.00	24986.00	50755.00	38610.00	28994.00	51700.00	40783.00	43092.00	28164.00	31931.00	31156.00	34208.00	22317.00	26201.00	28231.00	36459.00	43449.00	24397.00	32907.00	24660.00	36113.00	39911.00	48305.00	22996.00	36531.00	35679.00	27110.00	35643.00	33578.00	36298.00
C4 H6 O3 Esi-2.8359993 :1	1552733.00	943449.00	919829.00	1395897.00	1008715.00	1133616.00	1300142.00	1132946.00	922803.00	1350263.00	2093988.00	963561.00	1256491.00	1556950.00	1243339.00	1034745.00	1087399.00	932115.00	1285826.00	960205.00	1780635.00	1111736.00	985306.00	1423926.00	1042666.00	987271.00	1066716.00	1124885.00	1690632.00	1034885.00
C10 H7 N5 S2	196549.00	222013.00	223824.00	189060.00	224570.00	189388.00	250525.00	333514.00	153459.00	350009.00	163274.00	130653.00	123712.00	242324.00	206095.00	195825.00	228639.00	145603.00	150462.00	223162.00	171982.00	217272.00	163553.00	145500.00	145327.00	191143.00	181125.00	303616.00	296137.00	134149.00
Paraxanthine	11000000.00	3911624.00	4268332.00	10000000.00	6992504.00	4878876.00	9123967.00	8025560.00	6485851.00	5677260.00	9100787.00	4033358.00	5169868.00	10900000.00	5127087.00	7194212.00	7564242.00	6492536.00	5495094.00	6611919.00	12500000.00	7773872.00	6895489.00	10100000.00	4438056.00	7028124.00	4197747.00	7921785.00	7074619.00	4156043.00
C4 H2 S3 Esi-2.7559996	202575.00	917719.00	866447.00	262369.00	787199.00	984417.00	997869.00	874496.00	489209.00	1000484.00	1.00	695153.00	1092085.00	173271.00	870019.00	1364524.00	1063422.00	428407.00	901837.00	791497.00	201521.00	886611.00	761870.00	176014.00	297808.00	678099.00	1074076.00	655973.00	170266.00	223538.00
C4 H6 O2	489196.00	289138.00	305005.00	454969.00	333706.00	379807.00	425791.00	376384.00	302738.00	444416.00	685119.00	326766.00	424271.00	508209.00	414312.00	348620.00	368307.00	193642.00	429087.00	313216.00	572535.00	373610.00	335992.00	467123.00	347184.00	331812.00	371105.00	377744.00	560284.00	348675.00
C17 H12 N11 O S2	33168.00	30031.00	55391.00	43068.00	24672.00	47832.00	37733.00	40893.00	25060.00	37800.00	38787.00	39273.00	28333.00	29103.00	20185.00	28930.00	41657.00	32339.00	31965.00	26601.00	33094.00	29881.00	50413.00	17677.00	32765.00	35229.00	30593.00	39957.00	33984.00	38484.00
C7 H8 O5 S	43343.00	1.00	61469.00	1.00	13284.00	1.00	1.00	26970.00	1.00	115103.00	1.00	21938.00	1.00	1.00	35158.00	19150.00	44644.00	27289.00	21532.00	1.00	1.00	1.00	17338.00	20831.00	25558.00	1.00	16567.00	261416.00	1.00	1.00
C6 H O8 S Esi-2.0289996	238603.00	152509.00	128791.00	123668.00	134362.00	165592.00	122536.00	110998.00	165847.00	108716.00	176510.00	155824.00	120245.00	111388.00	134983.00	153896.00	165459.00	175983.00	132131.00	162874.00	129158.00	119669.00	164876.00	143062.00	158818.00	132820.00	115211.00	98128.00	120730.00	148347.00
C10 H11 N5 O4	308615.00	178074.00	197108.00	277241.00	184212.00	210442.00	243431.00	212111.00	186046.00	265978.00	425308.00	191321.00	256833.00	285299.00	220865.00	188876.00	190063.00	183770.00	229344.00	171801.00	341956.00	217044.00	192643.00	263780.00	184696.00	180007.00	206765.00	206693.00	346053.00	195819.00
C32 H61 N29	181361.00	87071.00	212081.00	140561.00	162054.00	198845.00	101919.00	104596.00	150101.00	145972.00	123112.00	157193.00	287725.00	228362.00	190127.00	123129.00	69433.00	120118.00	210231.00	96020.00	169344.00	144823.00	197639.00	129768.00	102878.00	119732.00	141999.00	127940.00	142061.00	186171.00
C4 H2 S3 Esi-0.95899975	298910.00	122722.00	420614.00	136609.00	47436.00	254412.00	122246.00	296800.00	113800.00	114169.00	50673.00	297213.00	149610.00	31587.00	461114.00	202954.00	123828.00	374747.00	213338.00	129504.00	377817.00	216485.00	119978.00	317046.00	45469.00	316223.00	226332.00	196473.00	297598.00	187631.00
C3 H6 N3 S Esi-4.546999	170628.00	131011.00	280974.00	703073.00	230152.00	174994.00	678673.00	250725.00	261216.00	359092.00	648989.00	226192.00	851177.00	823846.00	416130.00	1.00	1407344.00	378631.00	198690.00	962213.00	1945861.00	1.00	858154.00	227903.00	812727.00	199245.00	128558.00	182717.00	197731.00	1024198.00
C26 H48 N3 O4	44106.00	68452.00	172785.00	67685.00	83602.00	65570.00	147118.00	103552.00	134588.00	1.00	78363.00	97757.00	141267.00	130509.00	142308.00	82840.00	19597.00	210466.00	89534.00	63929.00	127218.00	108051.00	117887.00	119942.00	157739.00	163103.00	222921.00	75490.00	153762.00	210917.00
C19 H11	11562.00	1.00	24061.00	251173.00	36440.00	1.00	1.00	11366.00	33029.00	37771.00	25410.00	1.00	17788.00	56645.00	33379.00	11083.00	1.00	1.00	1.00	83857.00	21348.00	1.00	1.00	32272.00	12982.00	1.00	82880.00	11442.00	1.00	60171.00
C10 H2 N4 O11 S	215570.00	214841.00	219521.00	237740.00	232028.00	221366.00	222062.00	250041.00	210510.00	235726.00	197207.00	230844.00	194672.00	243767.00	229634.00	222895.00	234463.00	228670.00	254408.00	218926.00	255116.00	218914.00	243274.00	254169.00	228732.00	266199.00	255604.00	263519.00	221235.00	217332.00
C29 H51 N3 O8	61664.00	141006.00	184356.00	18997.00	70481.00	85331.00	183213.00	69151.00	208143.00	126465.00	57268.00	106306.00	56465.00	56853.00	59138.00	142403.00	138574.00	197161.00	97862.00	90007.00	84747.00	66518.00	118509.00	136816.00	128893.00	76305.00	49867.00	98648.00	78485.00	72638.00
C4 H10 N4 O3 S2	31327.00	23778.00	47416.00	34444.00	25791.00	37586.00	35332.00	32071.00	42580.00	34845.00	26040.00	22600.00	35306.00	31217.00	36820.00	50077.00	33136.00	39601.00	52062.00	20289.00	25632.00	22291.00	35807.00	33397.00	31021.00	34372.00	33696.00	37267.00	30178.00	44315.00
C3 H6 N3 S Esi-5.188002	623037.00	600741.00	613150.00	794703.00	238804.00	358106.00	587106.00	577804.00	714657.00	667592.00	437680.00	695566.00	638294.00	200568.00	504300.00	958827.00	787372.00	621604.00	691369.00	567059.00	449932.00	915883.00	658755.00	673924.00	492241.00	528848.00	499032.00	612390.00	744243.00	593791.00
C8 H10 N4 O4	2679619.00	2859020.00	2839894.00	4256105.00	3017402.00	3488526.00	3887653.00	3488508.00	2839082.00	4023631.00	6186091.00	2957897.00	3798636.00	4581742.00	3719599.00	3143066.00	3270903.00	2834323.00	3833027.00	2887042.00	5152035.00	3332674.00	2999641.00	4264942.00	3124313.00	3015806.00	3282757.00	3406180.00	5041861.00	3075090.00
C28 H43 N10 O3	57460.00	123419.00	106985.00	12767.00	76323.00	78407.00	120480.00	44745.00	106143.00	70929.00	36134.00	99420.00	77921.00	37195.00	62168.00	130649.00	214030.00	138622.00	86721.00	134603.00	73463.00	66960.00	87154.00	124242.00	100596.00	59605.00	59571.00	120713.00	71324.00	47547.00
C7 H6 N2 O6	134584.00	168520.00	128242.00	106764.00	110537.00	184037.00	101307.00	89885.00	184491.00	205520.00	124167.00	259557.00	155846.00	75891.00	181843.00	152554.00	182872.00	171984.00	218232.00	111378.00	164276.00	145345.00	183798.00	150988.00	190657.00	208014.00	195351.00	156774.00	149259.00	177986.00
C9 H16 O6	82856.00	172665.00	75056.00	110653.00	214542.00	185917.00	106416.00	24402.00	38335.00	60824.00	1.00	29878.00	71519.00	252282.00	65942.00	52937.00	1.00	12895.00	123885.00	78833.00	34768.00	213446.00	20640.00	31768.00	22946.00	131519.00	22796.00	147570.00	127560.00	46603.00
C11 H8 N4 O12	12994.00	22572.00	51902.00	34655.00	28438.00	57287.00	47515.00	35525.00	25628.00	36121.00	25764.00	34760.00	23804.00	21535.00	12280.00	27934.00	36236.00	29474.00	45708.00	29035.00	51619.00	22593.00	63220.00	23478.00	33715.00	55306.00	14217.00	51914.00	29333.00	32228.00
C7 H6 O4	57431.00	1.00	60057.00	1.00	1.00	28143.00	21922.00	242958.00	1.00	272903.00	46105.00	39074.00	29467.00	42828.00	30908.00	108488.00	73307.00	87174.00	17104.00	153141.00	15153.00	1.00	15143.00	25219.00	39728.00	1.00	1.00	64748.00	1.00	33380.00
C42 H76 N4 O7	186825.00	224002.00	199579.00	152745.00	196334.00	202567.00	189608.00	243814.00	243919.00	214970.00	133157.00	106489.00	162452.00	166410.00	140192.00	166097.00	159190.00	171576.00	215580.00	177765.00	132252.00	213908.00	143596.00	175360.00	136956.00	157442.00	157430.00	118234.00	142933.00	122786.00
C24 H39 N4 O6 S	31241.00	1.00	32482.00	54985.00	37938.00	1.00	19551.00	1.00	1.00	22442.00	31636.00	1.00	253021.00	52947.00	21036.00	25950.00	16496.00	1.00	27507.00	1.00	18818.00	22814.00	21241.00	45128.00	25810.00	1.00	61581.00	43646.00	1.00	189971.00
C18 H9	1.00	10654.00	36283.00	142144.00	52487.00	13864.00	1.00	27385.00	40003.00	44349.00	19349.00	1.00	25103.00	39914.00	25010.00	20316.00	1.00	43821.00	1.00	201841.00	25033.00	1.00	9943.00	93613.00	17175.00	21551.00	25012.00	29197.00	1.00	77043.00
C4 H2 S3 Esi-2.0019999	315989.00	1.00	280174.00	211366.00	143896.00	216150.00	347993.00	619820.00	1.00	189260.00	413244.00	657777.00	1.00	204242.00	1.00	255531.00	202118.00	713470.00	337811.00	195995.00	558956.00	184787.00	432690.00	1.00	203933.00	1.00	1.00	1.00	186708.00	742722.00
C6 H10 N3 O2 S Esi-4.4670005	245383.00	233690.00	369461.00	295659.00	780580.00	1345515.00	256372.00	1103036.00	905062.00	173419.00	315760.00	705023.00	1.00	624304.00	1.00	1.00	799957.00	1002284.00	900206.00	725004.00	268615.00	1.00	1.00	770007.00	771481.00	692437.00	239741.00	439148.00	1.00	587154.00
C9 H18 O7	277631.00	485141.00	171000.00	358608.00	705635.00	586467.00	340120.00	69047.00	155401.00	185249.00	52453.00	117041.00	224415.00	787366.00	222279.00	146976.00	60086.00	80684.00	368801.00	235785.00	169551.00	598330.00	96029.00	107644.00	74719.00	399666.00	73691.00	441883.00	417697.00	174162.00
C23 H6 N2 O S	20409.00	1.00	45975.00	32271.00	1.00	35575.00	18492.00	32899.00	1.00	24741.00	23986.00	29146.00	1.00	20336.00	1.00	25493.00	29170.00	24108.00	1.00	1.00	16766.00	20943.00	41430.00	1.00	26644.00	14870.00	13032.00	20618.00	27016.00	30393.00
C16 H27 N21	1.00	1.00	27244.00	92129.00	35511.00	1.00	1.00	17165.00	1.00	27697.00	58685.00	21514.00	1.00	201233.00	63493.00	24997.00	46560.00	1.00	47215.00	1.00	1.00	1.00	15449.00	32947.00	62469.00	1.00	117368.00	60194.00	40547.00	1.00
C4 H2 S3 Esi-5.3677635	196195.00	1.00	444729.00	247862.00	1.00	1.00	1.00	419178.00	438492.00	1.00	1.00	142064.00	418203.00	130457.00	172118.00	1.00	400727.00	1.00	1.00	1.00	391956.00	157922.00	231848.00	81933.00	1.00	1.00	250992.00	419262.00	1.00	390755.00
C26 H50 O4	19698.00	83574.00	74782.00	33493.00	43385.00	45183.00	92093.00	46497.00	110908.00	1.00	35155.00	50326.00	61018.00	64857.00	84083.00	49007.00	1.00	91026.00	67739.00	43854.00	57561.00	171229.00	53194.00	77749.00	91470.00	91091.00	91151.00	58436.00	73141.00	104142.00
C4 H6 O3 Esi-2.8359993 :2	1554239.00	943449.00	936775.00	1395897.00	1009773.00	1134836.00	1301266.00	1134102.00	922803.00	1350523.00	2093988.00	964565.00	1256752.00	1554450.00	1243826.00	1035312.00	1088043.00	932115.00	1286621.00	960205.00	1780281.00	1112019.00	985306.00	1428515.00	1037964.00	985968.00	1067458.00	1125484.00	1690632.00	1034885.00
C4 H2 O3 S2	149238.00	190052.00	182420.00	179101.00	202935.00	178655.00	141478.00	173461.00	202490.00	159130.00	215901.00	174143.00	158110.00	194692.00	182814.00	165089.00	192440.00	179278.00	168895.00	169727.00	171196.00	182354.00	168740.00	172358.00	201125.00	162393.00	184110.00	143775.00	171444.00	151996.00
C18 H34 N3 O14 S Esi-2.8420002	392668.00	228551.00	125998.00	341790.00	138240.00	273323.00	354483.00	371353.00	118033.00	488770.00	556246.00	196437.00	295329.00	463231.00	303286.00	219864.00	253546.00	109917.00	256447.00	244285.00	367841.00	289431.00	227673.00	278125.00	193746.00	211791.00	236031.00	339472.00	543276.00	188265.00
C6 H8 N3 O5	355046.00	432044.00	530214.00	59818.00	1056516.00	673579.00	310625.00	477514.00	1.00	763485.00	1058533.00	988417.00	143172.00	1.00	1.00	1.00	399152.00	1.00	1224042.00	435313.00	1.00	1.00	1331170.00	1.00	1.00	749853.00	458715.00	1.00	754435.00	1.00
C21 H46 N3 S2	156734.00	143093.00	135829.00	135156.00	138780.00	134652.00	136983.00	118068.00	148759.00	133169.00	129959.00	111339.00	100365.00	118904.00	125679.00	131191.00	135001.00	128898.00	147774.00	124318.00	139053.00	101339.00	129193.00	108931.00	168667.00	139717.00	184992.00	163227.00	166798.00	148079.00
C31 H19 N8 O27 S Esi-5.4344287	1.00	1.00	321400.00	252386.00	1.00	1.00	1.00	187562.00	1.00	1.00	1.00	1.00	158659.00	1.00	1.00	1.00	297752.00	311789.00	1.00	1.00	216722.00	311483.00	233124.00	400184.00	617369.00	645948.00	2092747.00	1.00	961089.00	1.00
C13 H2 N3 O	95209.00	20420.00	47305.00	33341.00	1.00	36794.00	33105.00	37518.00	13811.00	27578.00	27059.00	30947.00	1.00	23635.00	1.00	31156.00	36654.00	22853.00	10758.00	1.00	35043.00	29738.00	46441.00	1.00	32684.00	29137.00	21152.00	31999.00	29342.00	35282.00
C27 H4 N3 O4	1.00	1.00	49579.00	32084.00	30103.00	47917.00	36312.00	35525.00	1.00	27776.00	25764.00	31644.00	1.00	1.00	1.00	24678.00	32137.00	26486.00	12387.00	1.00	28863.00	22593.00	44760.00	1.00	28885.00	37735.00	1.00	40511.00	24938.00	29261.00
C6 H4 O6 S	114977.00	221730.00	99196.00	96726.00	179105.00	196491.00	122328.00	14513.00	82502.00	61070.00	35441.00	34290.00	145177.00	208771.00	111917.00	75821.00	1.00	24335.00	176804.00	82375.00	50397.00	175155.00	25567.00	44808.00	23752.00	146053.00	30146.00	137917.00	132614.00	44011.00
C9 H10 N6 O2 S	1.00	1.00	18132.00	1.00	154461.00	195031.00	153679.00	229393.00	1.00	11929.00	10839.00	10972.00	1.00	17827.00	131975.00	1.00	209253.00	1.00	171173.00	1.00	125596.00	209909.00	47270.00	1.00	26843.00	56886.00	15031.00	80447.00	10377.00	1.00
C3 H3 N4 O5	304442.00	600638.00	637349.00	605065.00	609692.00	528514.00	567198.00	622862.00	401258.00	599553.00	373497.00	326472.00	868611.00	429391.00	1.00	1.00	647217.00	1185040.00	395521.00	756687.00	679283.00	1.00	382241.00	676555.00	945508.00	632142.00	665509.00	683766.00	627983.00	526579.00
C15 H2 O17	205969.00	214059.00	195956.00	207969.00	215746.00	210292.00	190700.00	203961.00	201743.00	209842.00	160924.00	207746.00	203949.00	208929.00	192168.00	183443.00	228165.00	223081.00	223113.00	211691.00	217749.00	208867.00	172480.00	206599.00	229101.00	230665.00	216215.00	189715.00	203733.00	215406.00
C5 H8 N O9	22288.00	17544.00	38466.00	25260.00	16728.00	29453.00	21073.00	31106.00	43422.00	16787.00	24675.00	27092.00	13945.00	14393.00	50680.00	50829.00	31224.00	18194.00	15925.00	20369.00	21659.00	18756.00	25763.00	40934.00	19671.00	19899.00	16372.00	25584.00	17840.00	19925.00
C12 H10 N6 O6 S2	138750.00	1.00	184201.00	1.00	1.00	94514.00	1.00	149328.00	1.00	62051.00	96559.00	18965.00	1.00	127425.00	114139.00	40591.00	15991.00	68903.00	45587.00	1.00	35309.00	43430.00	36254.00	28935.00	92668.00	25067.00	38726.00	33612.00	9717.00	1.00
C9 H4 O3	182868.00	131861.00	276343.00	257503.00	346399.00	276306.00	338212.00	419128.00	163266.00	544255.00	186626.00	124385.00	127063.00	292796.00	276111.00	262221.00	321953.00	158471.00	226127.00	121508.00	62684.00	237446.00	230326.00	203455.00	189383.00	207353.00	210690.00	482673.00	356697.00	187616.00
C37 H14 O4	31499.00	27261.00	55065.00	38162.00	24635.00	39719.00	36364.00	38653.00	24823.00	32048.00	32283.00	37806.00	26592.00	24810.00	19148.00	26039.00	35174.00	30874.00	28301.00	30685.00	30439.00	22592.00	40833.00	13816.00	29014.00	30740.00	30203.00	35128.00	30370.00	33746.00
C26 H46 N3 O4	30968.00	56339.00	146922.00	54492.00	64735.00	48569.00	106490.00	81049.00	108153.00	22176.00	93247.00	67040.00	100400.00	101574.00	100769.00	62423.00	16433.00	160110.00	86296.00	61610.00	93701.00	98900.00	80709.00	104363.00	127035.00	107984.00	193839.00	60508.00	115096.00	164924.00
C4 H6 O2 Esi-2.8379998	493026.00	285232.00	293194.00	454700.00	323436.00	393780.00	424318.00	378689.00	299107.00	446116.00	694009.00	325131.00	399246.00	514295.00	197252.00	338411.00	376809.00	318370.00	439799.00	324491.00	582610.00	378884.00	299707.00	471210.00	337502.00	338657.00	371636.00	363263.00	577539.00	338676.00
C4 H6 N3 O4	318911.00	326564.00	222469.00	297662.00	272967.00	210981.00	298806.00	211618.00	340054.00	319032.00	239933.00	225749.00	366756.00	301828.00	244784.00	364626.00	223414.00	250691.00	195886.00	308290.00	297563.00	369172.00	295911.00	229042.00	196208.00	179501.00	284249.00	210592.00	274520.00	289716.00
C15 H6 N O S2 Esi-2.815	490616.00	404744.00	399071.00	461685.00	402843.00	430057.00	444109.00	424952.00	398823.00	435653.00	501497.00	403881.00	436732.00	473864.00	423816.00	409905.00	408392.00	387392.00	432848.00	386961.00	474233.00	417753.00	400786.00	1.00	393589.00	384573.00	415595.00	403328.00	469736.00	386453.00
C22 H28 N5 O5	66905.00	59109.00	118955.00	67884.00	175418.00	113169.00	12323.00	21743.00	71900.00	111728.00	81840.00	111028.00	24299.00	13897.00	129299.00	65978.00	102600.00	108118.00	64694.00	63971.00	76192.00	106069.00	136211.00	59739.00	104501.00	134201.00	121726.00	117510.00	86231.00	111339.00
C3 H2 N4 S	221587.00	108908.00	123321.00	94944.00	90858.00	133022.00	94486.00	85590.00	224585.00	61393.00	167442.00	96687.00	155978.00	110654.00	186890.00	129438.00	99410.00	129753.00	106996.00	179238.00	62314.00	90215.00	81025.00	97299.00	107072.00	114795.00	103588.00	97718.00	78872.00	110455.00
C25 H44 N3 O3 S	28807.00	59749.00	77853.00	78460.00	51907.00	40813.00	45122.00	60339.00	54800.00	139227.00	62728.00	44557.00	213499.00	65410.00	60129.00	85212.00	57575.00	59517.00	71817.00	112019.00	44165.00	42434.00	54663.00	78878.00	37260.00	58972.00	45044.00	59740.00	90034.00	71475.00
C7 H N O11 S	303477.00	310146.00	295479.00	306935.00	304304.00	301270.00	310309.00	306009.00	307911.00	320810.00	173335.00	327578.00	310791.00	321767.00	328232.00	334684.00	317366.00	323307.00	329980.00	312556.00	1.00	302965.00	323238.00	1.00	333875.00	320055.00	319280.00	315551.00	1.00	324863.00
C3 H4 N2 O S2	204872.00	259783.00	175171.00	288618.00	259881.00	267097.00	268255.00	232884.00	255848.00	232176.00	297735.00	295657.00	272400.00	241659.00	263601.00	278343.00	297489.00	257936.00	285171.00	216475.00	314884.00	268426.00	291596.00	237848.00	265128.00	245964.00	317144.00	235406.00	293206.00	250102.00
C8 H8 N7	60487.00	104724.00	37333.00	79477.00	128382.00	123541.00	70518.00	1.00	19269.00	44073.00	1.00	20297.00	53549.00	205764.00	42019.00	37254.00	1.00	1.00	74572.00	29911.00	23617.00	135100.00	12128.00	18658.00	15172.00	73921.00	15419.00	82305.00	103324.00	23521.00
C41 H10 O5	20016.00	16928.00	39024.00	29022.00	1.00	30121.00	25651.00	29158.00	16607.00	21670.00	22605.00	21736.00	16960.00	16498.00	1.00	18044.00	24066.00	18990.00	22348.00	16012.00	22597.00	18587.00	36885.00	1.00	21404.00	19944.00	17197.00	26827.00	22260.00	23795.00
C5 H2 N2 O5	159691.00	186308.00	152507.00	78537.00	47895.00	75020.00	76141.00	80201.00	160172.00	147125.00	116727.00	58153.00	73087.00	67819.00	71897.00	164018.00	143174.00	155780.00	74028.00	77006.00	64453.00	76743.00	78022.00	93236.00	181071.00	179644.00	224089.00	208055.00	192994.00	181289.00
C43 H84 N O15 S	99805.00	105165.00	115394.00	68427.00	121095.00	91098.00	125716.00	138436.00	192372.00	190036.00	89899.00	95010.00	67588.00	118031.00	107684.00	121153.00	103271.00	128741.00	131470.00	133066.00	68274.00	109080.00	112929.00	119503.00	101752.00	104751.00	106846.00	110065.00	89195.00	121503.00
C4 H2 O3 S2 Esi-3.1589992	138689.00	108764.00	117094.00	195159.00	261317.00	213924.00	215621.00	224264.00	200467.00	117560.00	114054.00	124367.00	189433.00	160794.00	135232.00	149347.00	189598.00	139454.00	257150.00	155837.00	188760.00	86160.00	251730.00	215714.00	198085.00	176301.00	190226.00	233882.00	129810.00	124978.00
C4 H9 Cl2 N O6 S	245031.00	233175.00	231074.00	242247.00	240841.00	237513.00	247581.00	247432.00	240587.00	251645.00	243648.00	247854.00	248216.00	253661.00	253170.00	265811.00	247913.00	250971.00	254257.00	239424.00	263310.00	234461.00	261989.00	262710.00	257563.00	246053.00	258405.00	240573.00	252827.00	256796.00
C26 H59 N29	70574.00	47793.00	45599.00	50956.00	50939.00	36898.00	42973.00	68950.00	83718.00	51077.00	22313.00	81847.00	195716.00	41574.00	60659.00	75899.00	139730.00	50416.00	57399.00	185555.00	25223.00	36095.00	85700.00	88834.00	97206.00	31468.00	39535.00	56205.00	30423.00	156902.00
C3 H4 O2 Esi-2.8359993 :2	1057926.00	652193.00	651170.00	953302.00	678599.00	784637.00	876311.00	775366.00	625955.00	924205.00	1419373.00	666057.00	873711.00	1047804.00	871936.00	704236.00	744739.00	634403.00	893938.00	661087.00	1223549.00	757107.00	707507.00	979537.00	706202.00	691869.00	732448.00	766792.00	1165065.00	713864.00
C7 H14 N2 O6 Esi-3.5159993	90313.00	58596.00	96451.00	65156.00	54146.00	98722.00	95402.00	58824.00	26809.00	47619.00	155121.00	110745.00	56587.00	67723.00	83513.00	50932.00	79466.00	47485.00	26799.00	53819.00	87160.00	66929.00	72962.00	63235.00	51272.00	86822.00	46159.00	68263.00	111952.00	120831.00
C14 H10 N O2	161163.00	216445.00	94530.00	156248.00	105214.00	214526.00	207855.00	269346.00	80559.00	212601.00	139504.00	180953.00	109339.00	183056.00	188486.00	119163.00	214889.00	201014.00	161286.00	220755.00	154765.00	179780.00	199752.00	151701.00	211758.00	225718.00	182240.00	274857.00	204532.00	197002.00
C26 H22 N6 O2	80718.00	79560.00	65139.00	85967.00	78829.00	88273.00	82339.00	93603.00	90424.00	118309.00	104060.00	91189.00	78742.00	55210.00	80228.00	115878.00	164353.00	80120.00	103978.00	70568.00	87771.00	68765.00	96065.00	83611.00	75394.00	98114.00	83762.00	78441.00	139032.00	96308.00
C27 H26 N23	114451.00	81806.00	123526.00	172311.00	138740.00	150248.00	105223.00	131553.00	120165.00	123289.00	109425.00	136810.00	132679.00	126422.00	98691.00	152436.00	133617.00	85168.00	205942.00	154509.00	129113.00	105650.00	149253.00	148192.00	91935.00	122116.00	103804.00	159232.00	157344.00	177903.00
C17 H18 N2 O4	1.00	1.00	13262.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	84090.00	1.00	172710.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C17 H28 O3 S	190287.00	124136.00	68249.00	71590.00	154793.00	154004.00	176041.00	79950.00	142514.00	183600.00	129941.00	85293.00	93259.00	213359.00	183347.00	149696.00	80535.00	162972.00	93813.00	77482.00	227218.00	67929.00	76044.00	99335.00	147969.00	139402.00	89073.00	87375.00	252627.00	151959.00
C32 H63 N29	160387.00	179864.00	173620.00	129604.00	144576.00	109067.00	181564.00	119335.00	205060.00	132084.00	87943.00	164653.00	176428.00	129733.00	181647.00	148159.00	181376.00	146974.00	162557.00	150719.00	129179.00	85783.00	166440.00	162838.00	140832.00	165042.00	100389.00	165288.00	112886.00	178095.00
C34 H65 N29	68282.00	49852.00	72701.00	57682.00	52988.00	65603.00	53998.00	58106.00	87993.00	77934.00	48158.00	64773.00	77328.00	77515.00	88949.00	45798.00	47737.00	56820.00	84644.00	45723.00	50130.00	48035.00	104651.00	71131.00	66277.00	56753.00	49493.00	50149.00	51002.00	155952.00
C32 H62 N6 O3	31512.00	96369.00	118992.00	50411.00	52551.00	46390.00	201147.00	60186.00	154738.00	16758.00	87751.00	73871.00	41604.00	84375.00	105605.00	76457.00	20416.00	183333.00	84095.00	85598.00	98708.00	118413.00	81130.00	102720.00	123280.00	174232.00	102807.00	61431.00	128321.00	107716.00
C8 H4 N4 O8	1.00	1.00	19849.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C8 H10 N2 O3	228171.00	140963.00	138113.00	207622.00	144720.00	166524.00	108278.00	165339.00	76671.00	197550.00	303867.00	137690.00	178022.00	230017.00	177964.00	152596.00	161969.00	138684.00	189875.00	134178.00	252834.00	156615.00	144309.00	195817.00	148056.00	144521.00	153759.00	160267.00	244007.00	148182.00
C32 H50 N10 O2	1.00	188898.00	14887.00	34561.00	1.00	1.00	1.00	19012.00	1.00	96472.00	17062.00	24257.00	122856.00	46177.00	113444.00	47458.00	1.00	21172.00	13928.00	221563.00	1.00	1.00	17472.00	12933.00	1.00	1.00	1.00	17063.00	1.00	23787.00
C9 H12 N4 O2 S Esi-1.0160003	567439.00	455653.00	802616.00	535020.00	404317.00	723101.00	561412.00	542288.00	582935.00	664509.00	544777.00	711873.00	390395.00	422083.00	295952.00	427723.00	495225.00	520791.00	444345.00	428654.00	441738.00	359674.00	544278.00	264643.00	510872.00	462375.00	484703.00	468678.00	1.00	544874.00
C6 H10 N6 O4	31913.00	177482.00	28649.00	38363.00	132902.00	153084.00	62203.00	1.00	23200.00	15205.00	1.00	1.00	66267.00	189061.00	36092.00	25445.00	1.00	1.00	147992.00	18946.00	16184.00	154281.00	1.00	9138.00	1.00	93759.00	1.00	65428.00	84079.00	1.00
C6 H6 N3 O9	148196.00	151625.00	149365.00	139839.00	155018.00	141607.00	164204.00	185787.00	124008.00	193160.00	133277.00	118547.00	122292.00	171926.00	154315.00	152078.00	163692.00	126964.00	129564.00	162666.00	135223.00	158476.00	139076.00	133418.00	128634.00	149051.00	145644.00	185927.00	177797.00	128311.00
C32 H36 N3 O9	12186.00	14818.00	49400.00	32161.00	23748.00	25004.00	25299.00	20630.00	36690.00	26377.00	1.00	30416.00	178789.00	27916.00	33174.00	15973.00	1.00	68083.00	9050.00	1.00	11797.00	1.00	22964.00	19978.00	1.00	1.00	48238.00	34916.00	13905.00	46601.00
C30 H52 N3 O4	32753.00	67871.00	107010.00	49535.00	59564.00	34999.00	114262.00	63599.00	96402.00	12558.00	78543.00	54875.00	78760.00	82285.00	88225.00	57491.00	13252.00	157851.00	68238.00	60308.00	77590.00	133300.00	64105.00	91929.00	102730.00	76563.00	145389.00	61599.00	82759.00	145867.00
C28 H52 N6 O3	33905.00	105356.00	126486.00	62922.00	67063.00	40619.00	140663.00	61342.00	134688.00	21364.00	117910.00	70221.00	87834.00	107100.00	121063.00	73591.00	17446.00	180505.00	81689.00	63915.00	80743.00	185369.00	82335.00	108235.00	135468.00	82684.00	189553.00	96104.00	102144.00	163250.00
Taurine	65482.00	54948.00	142702.00	92072.00	124045.00	107926.00	107034.00	77621.00	184432.00	51416.00	118397.00	140160.00	84538.00	97365.00	77348.00	89789.00	54071.00	132017.00	128159.00	108966.00	91499.00	128680.00	109710.00	161849.00	88129.00	109301.00	51308.00	98125.00	66774.00	78936.00
C29 H16 N15 O14	167404.00	113932.00	143737.00	98922.00	104870.00	88981.00	108282.00	130041.00	141340.00	131062.00	91656.00	107513.00	44427.00	63523.00	141244.00	140108.00	77881.00	173245.00	93589.00	174528.00	78036.00	68775.00	128787.00	130830.00	123705.00	87950.00	91733.00	153450.00	107519.00	179706.00
C30 H56 N3 O4	24875.00	86439.00	82406.00	41575.00	47056.00	40630.00	118363.00	40390.00	115530.00	12444.00	80540.00	58628.00	58762.00	72865.00	94563.00	59565.00	17007.00	127386.00	74023.00	47196.00	59806.00	149527.00	54816.00	82617.00	99472.00	66713.00	120441.00	68576.00	84040.00	106756.00
C14 H6 N2 O16 S2	188133.00	161144.00	115169.00	131238.00	136462.00	175983.00	163560.00	136471.00	174998.00	180513.00	184518.00	138608.00	123896.00	197030.00	152995.00	149873.00	144017.00	144493.00	173587.00	167530.00	163589.00	129896.00	197133.00	166855.00	175498.00	190660.00	158441.00	180181.00	160876.00	151837.00
C6 H14 N3 O3 S	1.00	100595.00	113929.00	66955.00	106717.00	81309.00	165004.00	10265.00	79389.00	33138.00	20603.00	96308.00	61103.00	14308.00	126195.00	30808.00	92517.00	166772.00	81377.00	99691.00	1.00	71368.00	86433.00	72555.00	133339.00	128285.00	117581.00	89887.00	1.00	59914.00
C8 H14 O4 S	145245.00	543526.00	310599.00	158817.00	308820.00	396933.00	486636.00	192417.00	260192.00	187817.00	385677.00	256082.00	410593.00	581856.00	146853.00	177149.00	161294.00	270941.00	382353.00	556262.00	378811.00	544051.00	493997.00	117224.00	139089.00	573520.00	131339.00	197243.00	496456.00	476804.00
Creatinine Esi-4.099999	181272.00	109261.00	114800.00	98759.00	78783.00	118976.00	87039.00	82014.00	163831.00	125861.00	97527.00	95766.00	111584.00	84791.00	150996.00	106651.00	86322.00	90456.00	69504.00	169121.00	50625.00	57114.00	95436.00	95097.00	71523.00	77181.00	117129.00	73340.00	74031.00	109182.00
C5 H8 O3	105845.00	97107.00	143456.00	149921.00	83788.00	120320.00	157731.00	100135.00	106065.00	117836.00	118958.00	127242.00	112543.00	117338.00	138847.00	78819.00	125879.00	171826.00	73356.00	183924.00	184141.00	113906.00	143822.00	108371.00	101054.00	138789.00	111596.00	113855.00	137745.00	150786.00
C3 H5 N5 O3	138564.00	47839.00	133125.00	320049.00	73233.00	274123.00	65430.00	89998.00	167834.00	76766.00	366610.00	355543.00	179809.00	218428.00	103799.00	1.00	100518.00	181639.00	342929.00	83543.00	433036.00	1.00	159680.00	269269.00	200567.00	249422.00	131671.00	282203.00	306079.00	191715.00
C3 H2 N2 O7	243074.00	239218.00	235672.00	242854.00	229058.00	230436.00	242779.00	238507.00	223731.00	242241.00	225631.00	233867.00	231236.00	228789.00	226218.00	222731.00	222804.00	225278.00	229836.00	234132.00	213573.00	216979.00	227912.00	219464.00	229013.00	210916.00	222700.00	212583.00	224035.00	218583.00
C4 H6 N3 O4 Esi-4.1040006	232726.00	350195.00	201871.00	336109.00	251715.00	22722.00	1.00	368781.00	1.00	1.00	296649.00	1.00	484915.00	1.00	1.00	1.00	1.00	591919.00	88033.00	371595.00	1.00	1.00	439706.00	271907.00	400698.00	35996.00	256531.00	1.00	183425.00	1.00
C28 H52 N3 O4	21429.00	67943.00	112532.00	40366.00	55170.00	43469.00	104275.00	58845.00	96896.00	1.00	57350.00	55493.00	85521.00	95391.00	100368.00	57447.00	13482.00	141312.00	66959.00	44196.00	65888.00	87033.00	80051.00	74680.00	114896.00	90169.00	135385.00	57580.00	90818.00	134001.00
C24 H22 N4 O	57803.00	123290.00	116013.00	118031.00	100933.00	123296.00	102037.00	80991.00	104880.00	67212.00	66886.00	117449.00	110081.00	117171.00	95432.00	81398.00	57906.00	91274.00	143678.00	122849.00	84298.00	91782.00	80619.00	93264.00	78425.00	104166.00	83428.00	130975.00	102478.00	104520.00
C4 H2 O3 S2 Esi-2.57	70087.00	86029.00	102149.00	60149.00	61557.00	58043.00	58966.00	67583.00	101225.00	76803.00	61785.00	73601.00	66367.00	62231.00	55185.00	45368.00	57642.00	79921.00	46416.00	74124.00	57982.00	52919.00	76867.00	49878.00	55396.00	69142.00	73666.00	78583.00	63138.00	49719.00
C17 H25 N O6	127314.00	155072.00	75964.00	80824.00	60217.00	65493.00	106274.00	93534.00	61844.00	88865.00	35514.00	87871.00	78796.00	80882.00	84529.00	77761.00	86539.00	100207.00	134043.00	94883.00	106747.00	95852.00	76734.00	70728.00	72337.00	79038.00	80952.00	89602.00	82085.00	118788.00
C5 H5 N5 O3 Esi-2.0460005	467495.00	207834.00	335697.00	199879.00	239270.00	231047.00	251060.00	246651.00	245688.00	256233.00	201677.00	231823.00	133014.00	143532.00	304605.00	176683.00	173906.00	310990.00	135725.00	337383.00	195620.00	185609.00	204052.00	262128.00	258006.00	116170.00	185758.00	335647.00	177361.00	227548.00
C17 H28 O3 S Esi-1.0669998	82506.00	44500.00	99948.00	95272.00	86119.00	41735.00	91580.00	80472.00	101351.00	80519.00	76399.00	103568.00	91846.00	93518.00	100565.00	81483.00	26141.00	119848.00	150061.00	120293.00	85836.00	77712.00	72106.00	95117.00	81508.00	101060.00	89483.00	132520.00	103870.00	122486.00
C26 H52 N6 O3	21387.00	84528.00	118078.00	43170.00	49739.00	62053.00	142768.00	61799.00	121581.00	1.00	55917.00	64658.00	82422.00	120682.00	108751.00	66458.00	14734.00	173117.00	77460.00	45859.00	72218.00	72384.00	95132.00	111121.00	140804.00	128022.00	143371.00	59305.00	108886.00	130506.00
C24 H46 N6 O2	38345.00	147518.00	134627.00	69336.00	79599.00	72741.00	149105.00	80127.00	164510.00	25641.00	88807.00	102329.00	90730.00	121579.00	142032.00	76664.00	31731.00	170561.00	123341.00	71691.00	89938.00	168229.00	79904.00	146305.00	141168.00	145787.00	174336.00	92133.00	138693.00	171707.00
C3 H6 N3 S Esi-4.546999 :1	169845.00	134753.00	281960.00	702231.00	237558.00	173896.00	761261.00	969353.00	320463.00	441730.00	670332.00	226192.00	166187.00	829631.00	415911.00	1.00	1184706.00	381738.00	953517.00	355521.00	1946403.00	1.00	910682.00	934969.00	864028.00	208042.00	128558.00	677491.00	197822.00	1059184.00
C28 H50 N3 O4	26241.00	62055.00	119861.00	47803.00	53622.00	36380.00	99226.00	64439.00	88259.00	14794.00	79308.00	53752.00	82256.00	88049.00	96300.00	50978.00	12917.00	138361.00	67223.00	58681.00	73889.00	87945.00	69477.00	80765.00	106280.00	86929.00	148018.00	59605.00	90742.00	134511.00
C3 H4 O3	83822.00	68973.00	65708.00	131115.00	36636.00	70057.00	75792.00	28545.00	78927.00	71234.00	37427.00	123486.00	51348.00	24707.00	21611.00	1.00	126324.00	115136.00	68701.00	109403.00	119752.00	34451.00	99338.00	165148.00	125334.00	81308.00	69545.00	55598.00	47456.00	97833.00
C5 H7 N4 O4	36685.00	67664.00	84937.00	39194.00	89529.00	44611.00	82337.00	52550.00	58757.00	89677.00	32958.00	57029.00	81199.00	1.00	51637.00	37010.00	100057.00	95798.00	62369.00	174306.00	72425.00	69285.00	109536.00	84924.00	76677.00	82243.00	65680.00	83651.00	38556.00	94400.00
C23 H6 N5 O5	94024.00	19524.00	47187.00	32872.00	1.00	36983.00	33200.00	37479.00	13014.00	26961.00	27352.00	30681.00	1.00	21208.00	1.00	30008.00	33463.00	22885.00	14340.00	1.00	31084.00	34295.00	45231.00	1.00	31714.00	28596.00	21152.00	31506.00	29342.00	34147.00
C11 H O9 S2	174112.00	183668.00	173174.00	174631.00	181815.00	177664.00	115652.00	182770.00	170948.00	181798.00	77110.00	189030.00	178780.00	178882.00	186708.00	195792.00	187590.00	190895.00	187878.00	181299.00	177295.00	176802.00	185189.00	182174.00	198053.00	184571.00	188811.00	178599.00	50430.00	193984.00
C4 H6 N3 O4 Esi-4.486	143951.00	347595.00	304997.00	328103.00	60730.00	136178.00	474412.00	403367.00	1024242.00	446281.00	387067.00	392974.00	364101.00	449706.00	165208.00	1.00	730487.00	469224.00	178694.00	294696.00	411339.00	1.00	182645.00	434685.00	123456.00	293430.00	193932.00	679725.00	696417.00	604583.00
C6 H12 O8 S	27941.00	19831.00	35022.00	20820.00	13200.00	24422.00	25720.00	22039.00	19069.00	20768.00	19800.00	18035.00	18983.00	17389.00	12727.00	20601.00	25243.00	25185.00	19667.00	14475.00	19638.00	12341.00	22483.00	12992.00	20677.00	17892.00	26056.00	23715.00	20645.00	25570.00
C18 H30 O3 S	157557.00	62995.00	64203.00	166698.00	57780.00	82296.00	128167.00	128820.00	108618.00	144637.00	208574.00	115222.00	144830.00	100964.00	145260.00	123027.00	123441.00	53535.00	141712.00	118356.00	94753.00	68470.00	54631.00	76570.00	114086.00	67118.00	118858.00	75325.00	169752.00	128987.00
C4 H2 S3 Esi-1.677	1.00	635373.00	349841.00	352053.00	345383.00	555658.00	377400.00	1.00	630177.00	323992.00	1.00	1.00	659285.00	252915.00	205289.00	1.00	582359.00	1.00	624203.00	692034.00	1.00	283864.00	1.00	536022.00	326954.00	610220.00	590501.00	518624.00	1.00	1.00
C3 H6 N3 S Esi-5.2279983	618606.00	591507.00	592038.00	398023.00	314817.00	259456.00	581082.00	513823.00	709234.00	751329.00	1.00	570125.00	652115.00	431902.00	320347.00	957549.00	797294.00	622928.00	642057.00	537827.00	473268.00	917422.00	529245.00	678983.00	566746.00	536265.00	556024.00	610653.00	530460.00	588660.00
C7 H8 N4 O3	103127.00	36137.00	80660.00	20571.00	36079.00	37247.00	18914.00	1.00	91813.00	50827.00	1.00	1.00	19073.00	43993.00	47132.00	51521.00	1.00	55406.00	39601.00	101965.00	1.00	41111.00	21153.00	16985.00	1.00	22494.00	1.00	49221.00	59788.00	24013.00
C4 H2 S3 Esi-0.9570002	198290.00	102905.00	387030.00	166224.00	266025.00	129476.00	88100.00	286412.00	161056.00	158083.00	121058.00	154306.00	317948.00	34920.00	419321.00	124317.00	204854.00	305636.00	170013.00	329590.00	358854.00	131661.00	119978.00	277759.00	63099.00	275370.00	177086.00	142328.00	174178.00	150943.00
C31 H19 N8 O27 S Esi-5.485	1.00	1.00	159504.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	297752.00	311789.00	1.00	1.00	172589.00	311396.00	236200.00	399868.00	617369.00	640005.00	636074.00	1.00	991940.00	489332.00
C28 H48 N3 O3	29442.00	74304.00	107893.00	54052.00	69930.00	40116.00	123327.00	68004.00	105608.00	25550.00	147638.00	76330.00	77515.00	92033.00	104575.00	59171.00	22297.00	162201.00	87720.00	59206.00	74311.00	114220.00	63029.00	105587.00	102926.00	75702.00	154898.00	68533.00	90635.00	145963.00
C3 H6 O3 Esi-5.282	65054.00	48849.00	110429.00	1.00	105093.00	1.00	400109.00	1.00	1.00	402180.00	1.00	141384.00	100849.00	190606.00	1.00	278620.00	1.00	201454.00	1.00	69740.00	1.00	1.00	133760.00	27130.00	107549.00	1.00	70347.00	1.00	1.00	483720.00
C20 H2 N2 O18 S	167628.00	170057.00	158550.00	112834.00	119905.00	110508.00	113522.00	105584.00	98604.00	132851.00	109905.00	170023.00	95874.00	176089.00	131355.00	178049.00	185016.00	153635.00	171568.00	172602.00	110893.00	101000.00	174816.00	179781.00	113367.00	185214.00	179322.00	167627.00	172622.00	138736.00
C31 H19 N8 O27 S Esi-5.805	1090001.00	504248.00	102764.00	952267.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	862946.00	1739632.00	1.00	1.00	1.00	850308.00	161871.00	1.00	2551420.00	1.00	1.00	1106131.00	847684.00	1547944.00	569438.00	1473130.00	1.00	962764.00	1113447.00
C11 H6 O6	279419.00	299666.00	299657.00	257788.00	299783.00	265461.00	331082.00	403875.00	203184.00	413051.00	234101.00	185589.00	175220.00	323719.00	275307.00	273912.00	301648.00	210361.00	211254.00	301596.00	230480.00	281456.00	219867.00	203488.00	201396.00	259083.00	251344.00	375801.00	364962.00	199133.00
C3 H6 N3 S Esi-4.102999	365730.00	636392.00	390733.00	666191.00	485054.00	1.00	1.00	909604.00	596113.00	523173.00	857216.00	769804.00	1054099.00	1.00	1.00	1.00	1.00	385141.00	582046.00	295938.00	1113137.00	1.00	982395.00	503736.00	1050804.00	353874.00	874708.00	412032.00	11486.00	1.00
C12 H6 O7 Esi-2.264	276158.00	311937.00	314214.00	254604.00	312720.00	268353.00	349873.00	454462.00	204739.00	486625.00	239636.00	183932.00	166413.00	340811.00	282808.00	266792.00	304700.00	208263.00	212607.00	310927.00	236903.00	288837.00	223419.00	205238.00	197387.00	260373.00	252207.00	400424.00	400972.00	192415.00
C6 H12 N6 O S	1.00	93513.00	47328.00	95594.00	123613.00	92849.00	58467.00	1.00	1.00	1.00	70414.00	107784.00	250539.00	1.00	1.00	1.00	1.00	1.00	1.00	113949.00	144452.00	1.00	63471.00	55254.00	1.00	112642.00	1.00	76682.00	77062.00	95349.00
C5 H8 N4 O6	125611.00	91173.00	52422.00	116333.00	102915.00	105497.00	115572.00	108620.00	91651.00	118883.00	155278.00	92715.00	106773.00	132052.00	119571.00	105059.00	108868.00	94229.00	124235.00	97346.00	147135.00	109564.00	97685.00	131287.00	103595.00	104048.00	102654.00	113590.00	141129.00	101568.00
Chenodeoxycholic Acid	41466.00	20920.00	125444.00	29618.00	30294.00	20842.00	49049.00	35374.00	58600.00	1.00	26517.00	16854.00	38231.00	14983.00	42591.00	17468.00	12983.00	22178.00	40946.00	35336.00	9220.00	49921.00	38282.00	64289.00	59676.00	77159.00	95800.00	17951.00	83667.00	75044.00
C5 H8 N5 O2 S Esi-2.0579996	177891.00	190501.00	209121.00	197028.00	150475.00	99558.00	117989.00	231798.00	436608.00	224857.00	146845.00	101992.00	161746.00	117555.00	127356.00	167794.00	125124.00	230144.00	211766.00	626619.00	119586.00	138093.00	278287.00	250979.00	87233.00	191781.00	106073.00	290893.00	205077.00	429698.00
C12 H14 N8 O2 S3	1.00	1.00	34573.00	23100.00	46647.00	74367.00	12584.00	75725.00	1.00	1.00	20163.00	22493.00	1.00	1.00	50696.00	1.00	56472.00	1.00	62483.00	1.00	12958.00	134794.00	32463.00	1.00	1.00	67245.00	1.00	51900.00	1.00	1.00
C21 H6 N5 O3	38194.00	34324.00	63864.00	47072.00	31826.00	55574.00	46576.00	49302.00	30208.00	40675.00	42183.00	45633.00	35208.00	32184.00	27334.00	37201.00	50717.00	35401.00	34609.00	31809.00	41215.00	31403.00	57087.00	22882.00	37581.00	39822.00	35018.00	43521.00	37014.00	45003.00
C6 H12 N3 O3 S	145245.00	1.00	310599.00	126981.00	309709.00	139227.00	174187.00	182173.00	115218.00	187817.00	147219.00	256082.00	1.00	1.00	146857.00	134559.00	161294.00	270941.00	139742.00	1.00	154263.00	1.00	1.00	142046.00	1.00	1.00	131339.00	177131.00	183322.00	1.00
C3 H3 N4 O5 Esi-4.037	46027.00	142947.00	283727.00	123824.00	138122.00	20095.00	1.00	210899.00	395746.00	1.00	137220.00	120271.00	230694.00	1.00	1.00	1.00	1.00	240885.00	191718.00	1.00	272239.00	1.00	255969.00	284976.00	188206.00	1.00	179154.00	284004.00	1.00	1.00
C17 H28 O3 S Esi-2.8339999	207922.00	124136.00	69575.00	81756.00	156567.00	156398.00	191548.00	80997.00	138627.00	209330.00	250068.00	69231.00	92120.00	214444.00	182293.00	153948.00	66853.00	150172.00	87327.00	146046.00	237529.00	69293.00	72551.00	197014.00	137593.00	73262.00	70012.00	79048.00	240792.00	147328.00
C7 H6 N S	226884.00	111428.00	125413.00	156992.00	123787.00	132595.00	132616.00	130559.00	93184.00	155426.00	175866.00	102272.00	153057.00	160770.00	178253.00	119839.00	162059.00	107993.00	125777.00	125719.00	145226.00	136857.00	118178.00	148627.00	179114.00	99499.00	168487.00	136797.00	212915.00	121042.00
C10 H14 Cl N3 S	367420.00	228683.00	243578.00	355842.00	228313.00	269902.00	318425.00	264413.00	254061.00	321396.00	471676.00	252359.00	312224.00	329030.00	295763.00	254317.00	254947.00	257286.00	299309.00	220923.00	411733.00	275191.00	264003.00	321267.00	240732.00	231667.00	277949.00	262993.00	409207.00	267564.00
C6 H8 Cl	137298.00	151619.00	147778.00	141381.00	131083.00	129954.00	139658.00	131884.00	167515.00	164805.00	107424.00	132900.00	164136.00	150006.00	170632.00	225932.00	194059.00	159505.00	227871.00	134045.00	146343.00	227966.00	148975.00	152037.00	143948.00	127539.00	116555.00	140457.00	121176.00	168978.00
C8 H3 N O8 S2 Esi-2.7680004	1.00	401561.00	389531.00	1.00	405520.00	397601.00	415184.00	412395.00	392645.00	1.00	162808.00	1.00	1.00	1.00	1.00	1.00	1.00	423461.00	1.00	404398.00	1.00	394876.00	428261.00	1.00	437536.00	414026.00	1.00	401920.00	1.00	433079.00
C3 H4 N6 O3	61447.00	138213.00	58029.00	67550.00	120582.00	124963.00	81482.00	10581.00	49035.00	41241.00	31715.00	30833.00	87850.00	147139.00	63187.00	51121.00	10325.00	13974.00	134288.00	45184.00	44424.00	128640.00	20908.00	29658.00	19426.00	101334.00	25858.00	84573.00	94538.00	25928.00
C8 H3 N O8 S2 Esi-2.6930006	399828.00	401561.00	389531.00	401306.00	405520.00	397601.00	415184.00	412127.00	392645.00	416658.00	228249.00	423461.00	408249.00	413086.00	422298.00	442844.00	418045.00	423461.00	423636.00	404398.00	420451.00	394876.00	428261.00	425272.00	437536.00	414026.00	427516.00	401920.00	404924.00	433079.00
C3 H6 O	132370.00	130106.00	147092.00	191106.00	448181.00	203176.00	213659.00	116679.00	284938.00	159780.00	231443.00	207085.00	211738.00	108096.00	190086.00	76430.00	184549.00	245803.00	130294.00	379305.00	228588.00	167256.00	202245.00	165232.00	183366.00	168162.00	140305.00	193284.00	125579.00	266650.00
C8 H8 N6 S	139189.00	74584.00	167911.00	1.00	55544.00	1.00	1.00	1.00	1.00	116850.00	1.00	1.00	1.00	1.00	42069.00	81390.00	34442.00	1.00	110466.00	1.00	1.00	114503.00	1.00	1.00	106256.00	91032.00	1.00	50796.00	78469.00	121577.00
C7 H8 N4 O2	18658.00	16537.00	71859.00	1.00	1.00	1.00	1.00	18659.00	117829.00	49247.00	1.00	15637.00	1.00	1.00	14743.00	39909.00	15995.00	119545.00	30788.00	137877.00	1.00	1.00	30393.00	19087.00	1.00	1.00	1.00	72972.00	18072.00	51281.00
C4 H4 N3 O4	1.00	22240.00	35598.00	39950.00	56417.00	33197.00	1.00	26088.00	22949.00	37688.00	17415.00	33928.00	52376.00	48039.00	48381.00	44884.00	27292.00	66352.00	21848.00	36296.00	47589.00	44432.00	1.00	1.00	23814.00	12778.00	36127.00	37424.00	34559.00	40777.00
C14 H N S2 Esi-2.8410006	107160.00	335537.00	343271.00	422944.00	323252.00	344477.00	367079.00	347927.00	315582.00	349682.00	147485.00	327447.00	377577.00	344220.00	343034.00	385733.00	288493.00	307696.00	284172.00	279520.00	363797.00	363197.00	329255.00	354953.00	306259.00	316348.00	322633.00	335038.00	376426.00	288326.00
C46 H77 N3 O2 S2	51848.00	30913.00	72974.00	75251.00	68018.00	42127.00	29491.00	58101.00	104969.00	110169.00	57122.00	71042.00	73785.00	71155.00	74906.00	42323.00	73027.00	96834.00	103523.00	122142.00	21630.00	31622.00	71678.00	64364.00	47021.00	40529.00	46272.00	58947.00	53675.00	58599.00
C4 H2 O4 Esi-1.0510002 :1	269938.00	898248.00	349830.00	967416.00	1412525.00	1077230.00	181647.00	480433.00	340481.00	949566.00	198881.00	671306.00	151115.00	895213.00	62961.00	879700.00	1599385.00	21818.00	1288919.00	365133.00	101735.00	645077.00	878254.00	1074836.00	674074.00	48061.00	28061.00	419733.00	862148.00	913320.00
C26 H46 N6 O3	22533.00	39336.00	94914.00	42322.00	44363.00	27353.00	73516.00	57523.00	63273.00	13034.00	57868.00	43034.00	71475.00	61616.00	64072.00	36529.00	1.00	103907.00	54778.00	46898.00	68141.00	75236.00	55870.00	66021.00	79698.00	55084.00	110740.00	44426.00	70876.00	106989.00
C28 H50 N6 O2	24152.00	98038.00	89129.00	50667.00	62184.00	40381.00	117349.00	52111.00	109367.00	23472.00	121561.00	65247.00	49201.00	82193.00	100089.00	59404.00	26851.00	142714.00	73799.00	65643.00	61123.00	121313.00	50782.00	98123.00	82416.00	72216.00	132898.00	72901.00	84407.00	100914.00
C7 H6 N4 O	1090374.00	675584.00	676790.00	993026.00	715839.00	802163.00	923680.00	796844.00	654065.00	961062.00	1494854.00	682213.00	882843.00	1073730.00	875737.00	730523.00	761427.00	657402.00	916155.00	674361.00	1256456.00	785002.00	689312.00	994261.00	723284.00	689780.00	756043.00	787691.00	1187002.00	744471.00
C9 H4 N6 O2 S	173147.00	181918.00	181112.00	145981.00	180380.00	160118.00	196826.00	234552.00	125085.00	250348.00	153764.00	121696.00	109359.00	182468.00	170532.00	58089.00	177223.00	132664.00	129855.00	177203.00	147071.00	166854.00	140826.00	126356.00	122201.00	155004.00	144656.00	219449.00	205895.00	116163.00
C14 H N S2 Esi-2.0260007	112472.00	50147.00	61985.00	38111.00	34147.00	52136.00	46609.00	39417.00	55699.00	30862.00	55127.00	61081.00	56491.00	51410.00	58327.00	56357.00	59168.00	49815.00	37677.00	42524.00	45124.00	32749.00	56816.00	43905.00	44390.00	45719.00	38262.00	53119.00	39291.00	37525.00
C4 H8 O3 Esi-1.4160002	60223.00	51099.00	112874.00	62656.00	59098.00	105033.00	52628.00	81006.00	60061.00	114099.00	69924.00	114248.00	136883.00	86155.00	108042.00	36479.00	61582.00	103041.00	42049.00	136145.00	82975.00	39372.00	64023.00	61943.00	52653.00	91717.00	58002.00	63905.00	73185.00	110036.00
C18 H30 O3 S Esi-0.9729997	58000.00	51997.00	72092.00	50433.00	55744.00	70468.00	38165.00	60323.00	69972.00	108307.00	58740.00	37493.00	106326.00	56833.00	75361.00	100124.00	89099.00	75517.00	61471.00	110515.00	75139.00	110142.00	36848.00	45065.00	56763.00	65689.00	71149.00	94276.00	56366.00	56098.00
C32 H60 N3 O4	26112.00	80102.00	92456.00	30833.00	48245.00	32441.00	135080.00	45781.00	133801.00	14083.00	55500.00	56624.00	42762.00	56530.00	82619.00	88530.00	10157.00	126237.00	65136.00	61878.00	76267.00	138670.00	64624.00	81727.00	116369.00	104442.00	106249.00	61256.00	79651.00	100940.00
C18 H36 O3	1.00	22456.00	12277.00	1.00	12421.00	13215.00	15365.00	118760.00	1.00	1.00	1.00	13513.00	18737.00	1.00	14509.00	18912.00	15675.00	14166.00	16400.00	24625.00	12840.00	15670.00	1.00	13937.00	12828.00	14767.00	20424.00	20056.00	1.00	26873.00
C32 H20 N6 O29 S	1.00	1.00	80892.00	21908.00	40270.00	1.00	46269.00	1.00	1.00	1.00	1.00	1.00	1.00	91967.00	9397.00	1.00	1.00	148744.00	1.00	18261.00	100211.00	37803.00	1.00	48313.00	39619.00	22847.00	194194.00	24128.00	1.00	1.00
C20 H32 N3 O	15129.00	24180.00	35829.00	44568.00	27942.00	50112.00	32732.00	27261.00	35699.00	17874.00	11685.00	58049.00	43192.00	30726.00	32715.00	25111.00	11127.00	25138.00	115002.00	38142.00	34791.00	16631.00	27170.00	33612.00	20829.00	33178.00	15680.00	51636.00	36687.00	60476.00
C26 H48 N6 O2	36260.00	104652.00	111362.00	55220.00	64743.00	40585.00	124238.00	67303.00	108907.00	26900.00	102576.00	73331.00	77250.00	98618.00	111016.00	66692.00	23839.00	159171.00	79874.00	61750.00	84762.00	137078.00	67722.00	95460.00	102214.00	76292.00	154265.00	78688.00	84526.00	154452.00
C12 H12 N O5 S	45756.00	58855.00	92124.00	35986.00	65937.00	65525.00	47041.00	57730.00	71520.00	38347.00	92021.00	91228.00	83634.00	76078.00	57762.00	65312.00	89943.00	80017.00	61598.00	89921.00	51800.00	49613.00	64709.00	121258.00	69014.00	79067.00	31517.00	80612.00	52873.00	59848.00
C13 H2 Cl N O2 S	144178.00	137452.00	132493.00	144875.00	138419.00	140726.00	148822.00	102787.00	144663.00	150361.00	92573.00	147021.00	149816.00	155780.00	152597.00	157473.00	147486.00	152198.00	153376.00	144029.00	149704.00	146906.00	153790.00	106799.00	150569.00	148828.00	153484.00	151254.00	150279.00	152932.00
C34 H8 N3 O3	1.00	1.00	29967.00	18412.00	1.00	19115.00	17211.00	18915.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16811.00	1.00	1.00	1.00	14987.00	1.00	25588.00	1.00	16044.00	1.00	1.00	16348.00	15987.00	20183.00
C15 H N O4	1.00	101386.00	126439.00	113417.00	133883.00	100854.00	80208.00	57326.00	1.00	1.00	109122.00	129320.00	189613.00	1.00	1.00	1.00	1.00	1.00	1.00	220011.00	170650.00	1.00	116930.00	109195.00	85967.00	106699.00	51129.00	1.00	111372.00	1.00
C28 H52 N6 O2	12654.00	75064.00	46321.00	28190.00	30094.00	26239.00	82229.00	25971.00	70882.00	1.00	58853.00	42224.00	29317.00	51084.00	63231.00	31270.00	17072.00	84118.00	49747.00	37078.00	35909.00	108436.00	29139.00	56101.00	47866.00	34700.00	73669.00	43518.00	40940.00	63806.00
C7 H10 N4 O3	39275.00	24086.00	92912.00	1.00	1.00	22188.00	1.00	32097.00	54974.00	56300.00	46023.00	25409.00	1.00	1.00	1.00	89681.00	53797.00	61926.00	18790.00	35515.00	1.00	37144.00	46480.00	120926.00	23514.00	1.00	1.00	59039.00	21785.00	23204.00
C14 H N S2 Esi-2.8349993	399702.00	214655.00	333622.00	390082.00	348481.00	341707.00	1.00	350164.00	314163.00	1.00	209309.00	327026.00	1.00	1.00	147314.00	349816.00	361069.00	307032.00	1.00	289587.00	1.00	310794.00	331807.00	348587.00	321769.00	318553.00	316958.00	1.00	393674.00	373190.00
C6 H6 N4 O4	77164.00	37484.00	121587.00	31036.00	33030.00	27472.00	33783.00	32811.00	34961.00	89291.00	68350.00	37684.00	21679.00	28082.00	90782.00	53317.00	31587.00	76464.00	30000.00	46957.00	47098.00	50178.00	40728.00	46814.00	41334.00	27390.00	25490.00	54912.00	39794.00	46323.00
C18 H N3	92818.00	102774.00	102020.00	85823.00	98196.00	88668.00	112006.00	151767.00	70153.00	161477.00	74782.00	58749.00	54144.00	111374.00	93494.00	83611.00	101666.00	68424.00	69029.00	104243.00	72660.00	97984.00	71153.00	66408.00	56606.00	92975.00	78579.00	137685.00	128890.00	57678.00
C12 H24 N3 O2	17204.00	35012.00	57788.00	21294.00	27970.00	27734.00	42623.00	27552.00	46839.00	1.00	21996.00	28441.00	39904.00	40931.00	46515.00	28921.00	1.00	70345.00	37110.00	24387.00	33473.00	27365.00	48488.00	34588.00	54184.00	60211.00	64500.00	29339.00	45351.00	61948.00
C12 H16 O6	1.00	1.00	41797.00	1.00	1.00	43223.00	1.00	1.00	1.00	1.00	1.00	1.00	120912.00	67178.00	78677.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C6 H O8 S Esi-1.0599996	72195.00	147925.00	77483.00	61708.00	150184.00	81725.00	104834.00	110639.00	120357.00	108125.00	100004.00	84791.00	72772.00	103226.00	188935.00	107206.00	58689.00	131823.00	147745.00	109235.00	111838.00	122218.00	110283.00	169451.00	135981.00	208599.00	161266.00	136123.00	177323.00	114289.00
C8 H3 N O8 S2 Esi-2.6930006 :1	399828.00	401561.00	389531.00	401306.00	405520.00	397601.00	415184.00	412127.00	392645.00	416658.00	228249.00	423461.00	408249.00	413086.00	422298.00	442844.00	418045.00	423461.00	423636.00	404398.00	420451.00	394876.00	428261.00	425272.00	437536.00	414026.00	427516.00	401920.00	404924.00	433079.00
C3 H8 O4	113200.00	65899.00	67298.00	100441.00	72011.00	85029.00	58165.00	85944.00	66902.00	96210.00	155150.00	72289.00	94039.00	111823.00	93545.00	77361.00	79228.00	70293.00	96351.00	72465.00	127978.00	81502.00	72548.00	103136.00	78584.00	70705.00	76511.00	79880.00	123320.00	73656.00
C16 H6 N4 O S	1.00	1.00	21513.00	16271.00	13006.00	37087.00	34026.00	31152.00	20760.00	27534.00	13961.00	15981.00	10439.00	18598.00	15297.00	14839.00	35281.00	1.00	16232.00	16802.00	25071.00	22393.00	36817.00	10407.00	16141.00	28314.00	14725.00	34159.00	22701.00	13182.00
C9 H14 N2 O6	117055.00	51066.00	56225.00	53319.00	41502.00	41871.00	41608.00	29185.00	72100.00	37401.00	69967.00	38365.00	44239.00	49641.00	68718.00	57972.00	76099.00	65468.00	68797.00	100239.00	24380.00	43552.00	42560.00	59692.00	70749.00	44224.00	43856.00	40728.00	32170.00	52536.00
C5 H4 S3	116804.00	92400.00	105370.00	133342.00	95026.00	104600.00	116937.00	103780.00	83223.00	115344.00	143819.00	58875.00	118965.00	82348.00	116185.00	89098.00	51986.00	81265.00	114669.00	85061.00	128255.00	98676.00	77305.00	78945.00	104988.00	88956.00	98289.00	103890.00	121346.00	91836.00
C33 H6 N2 O5	1.00	1.00	23004.00	15562.00	1.00	16847.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	21695.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C24 H46 N3 O4	20562.00	43186.00	81723.00	32984.00	50076.00	37226.00	77294.00	49339.00	65362.00	1.00	49900.00	59309.00	59927.00	72321.00	67951.00	46580.00	12863.00	105907.00	47144.00	40653.00	46807.00	54928.00	57511.00	66371.00	77849.00	75982.00	107667.00	61942.00	70139.00	90552.00
C6 H10 O3	51887.00	65736.00	102877.00	56200.00	51865.00	74504.00	71187.00	76359.00	58092.00	56486.00	41650.00	61587.00	35863.00	53088.00	74903.00	45679.00	68475.00	78241.00	18894.00	124542.00	65079.00	60056.00	82220.00	55450.00	52036.00	85742.00	58937.00	69761.00	56463.00	88304.00
C32 H20 N6 O29 S Esi-5.786	1.00	1.00	44370.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	20200.00	1.00	81284.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	143123.00	1.00	1.00	1.00	1.00
C6 H7 N5 O5	625586.00	387144.00	558742.00	369624.00	373133.00	323108.00	387532.00	466673.00	459406.00	501144.00	338197.00	380016.00	246951.00	255647.00	529690.00	503329.00	287244.00	636465.00	344881.00	632498.00	301024.00	263851.00	451456.00	465887.00	445875.00	299728.00	356233.00	536781.00	370158.00	735811.00
C6 H6 N4 O	200330.00	117520.00	111715.00	182632.00	119852.00	138782.00	165982.00	141942.00	108901.00	169905.00	328220.00	117593.00	163731.00	202597.00	156534.00	123923.00	128261.00	110665.00	163072.00	116401.00	238264.00	135951.00	116117.00	179830.00	123281.00	121788.00	130872.00	134394.00	225500.00	124233.00
C9 H13 N3 O9	49001.00	60432.00	88786.00	44181.00	66046.00	60701.00	48528.00	56580.00	65930.00	40607.00	97412.00	95011.00	94253.00	77214.00	57572.00	72834.00	66091.00	79810.00	60048.00	86139.00	56511.00	51095.00	66002.00	118838.00	73143.00	75049.00	39708.00	80498.00	57507.00	64195.00
C4 H6 N3 O4 Esi-4.1027374	232726.00	350195.00	201155.00	336109.00	292679.00	22722.00	1.00	141285.00	1.00	1.00	425287.00	83517.00	484977.00	1.00	1.00	1.00	1.00	591919.00	1.00	371235.00	444151.00	1.00	439706.00	271907.00	381637.00	35996.00	256531.00	1.00	183425.00	1.00
C27 H30 N4 O3	67585.00	66225.00	70358.00	64853.00	73343.00	65674.00	68878.00	59973.00	62091.00	52108.00	67359.00	54909.00	49846.00	56356.00	61520.00	56463.00	55881.00	59381.00	56834.00	53937.00	59041.00	52926.00	51315.00	41690.00	63023.00	54959.00	67796.00	55801.00	60448.00	54072.00
C5 H4 O2	105685.00	63329.00	61973.00	95260.00	40531.00	39753.00	89164.00	78867.00	61003.00	91615.00	145590.00	64491.00	89892.00	106580.00	84141.00	71719.00	77219.00	37114.00	89582.00	64791.00	65231.00	73121.00	65787.00	99392.00	72876.00	65716.00	71049.00	79096.00	121172.00	73341.00
C3 H N O S3	71605.00	46788.00	52159.00	30387.00	33099.00	50670.00	109724.00	71273.00	91984.00	101751.00	83379.00	38823.00	48025.00	81395.00	89470.00	81653.00	76571.00	55646.00	72799.00	98512.00	43880.00	85341.00	47639.00	51725.00	58533.00	59742.00	41458.00	62216.00	49424.00	75824.00
C31 H19 N8 O27 S Esi-5.7716866	1209606.00	1536811.00	631450.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	845765.00	1742023.00	1.00	1.00	1.00	368205.00	210181.00	529418.00	140095.00	158640.00	1.00	173733.00	942346.00	1.00	562712.00	1429336.00	1.00	951145.00	1126177.00
C3 H3 N3 O2	68473.00	50847.00	60289.00	19910.00	1.00	1.00	74216.00	1.00	108087.00	71230.00	1.00	58811.00	1.00	1.00	43969.00	59310.00	1.00	1.00	1.00	342220.00	1.00	1.00	49161.00	1.00	70612.00	1.00	127549.00	39723.00	1.00	92812.00
C47 H6 N	1.00	11336.00	21740.00	13289.00	1.00	17331.00	14126.00	15173.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	19906.00	1.00	1.00	1.00	1.00	16443.00	1.00	1.00
C5 H12 O4 S	62131.00	50862.00	103307.00	69652.00	46657.00	80244.00	67709.00	70940.00	53231.00	69901.00	63659.00	70959.00	49972.00	48262.00	46773.00	67064.00	68415.00	64922.00	55549.00	55098.00	67465.00	54642.00	89194.00	41155.00	66605.00	62210.00	60371.00	69307.00	70614.00	79817.00
C8 H2 N O S	74639.00	71252.00	74420.00	81834.00	60158.00	65789.00	92344.00	65815.00	72341.00	102297.00	94915.00	89953.00	77156.00	86736.00	77578.00	96938.00	66548.00	76176.00	72312.00	92474.00	64922.00	100469.00	144750.00	133779.00	73829.00	86098.00	26844.00	100487.00	47597.00	1.00
C5 H O5 S	162755.00	135588.00	272688.00	239147.00	202789.00	140177.00	148958.00	226762.00	84798.00	195516.00	180977.00	66301.00	57704.00	111199.00	85533.00	1.00	239384.00	107278.00	300460.00	290881.00	210529.00	1.00	57101.00	243499.00	82380.00	152199.00	261820.00	266547.00	160774.00	159791.00
Glucoheptonic acid	1.00	1.00	109606.00	1.00	1.00	1.00	1.00	41995.00	20120.00	59240.00	1.00	22909.00	1.00	1.00	1.00	13980.00	37801.00	30071.00	12681.00	37881.00	1.00	42424.00	53797.00	26628.00	18690.00	1.00	1.00	26380.00	12104.00	1.00
a-L-Rhamnose	1.00	55693.00	59479.00	35413.00	61443.00	46252.00	94887.00	1.00	52182.00	19819.00	11055.00	62005.00	42422.00	1.00	69696.00	18204.00	51365.00	110107.00	52343.00	48427.00	1.00	39302.00	48720.00	41050.00	100262.00	77221.00	65788.00	47274.00	1.00	32422.00
C7 H N O11 S Esi-2.7750003	1.00	310146.00	295479.00	1.00	304304.00	301270.00	1.00	306009.00	307911.00	1.00	119480.00	1.00	1.00	1.00	1.00	1.00	317366.00	323307.00	1.00	312556.00	316703.00	1.00	323238.00	325154.00	333875.00	1.00	319280.00	1.00	308065.00	324863.00
C6 H3 N S3	104503.00	116986.00	112788.00	100359.00	113433.00	104035.00	112663.00	110990.00	115657.00	103092.00	109496.00	89860.00	103862.00	99541.00	111958.00	93452.00	103764.00	93193.00	102250.00	106579.00	118749.00	111696.00	92174.00	106905.00	94378.00	105183.00	102892.00	87601.00	70723.00	108529.00
C3 H2 Cl O	1.00	118971.00	34385.00	121341.00	123190.00	40597.00	1.00	121617.00	120761.00	22594.00	115946.00	132033.00	117130.00	116247.00	118374.00	83061.00	126909.00	125741.00	125067.00	52975.00	132209.00	1.00	129048.00	124828.00	1.00	131621.00	56374.00	35400.00	119467.00	128976.00
C22 H28 N3 O5	57380.00	71967.00	62394.00	75128.00	71337.00	74557.00	65131.00	65787.00	71195.00	83553.00	85309.00	75282.00	59306.00	68422.00	64270.00	85205.00	98005.00	57955.00	72603.00	61671.00	74858.00	46225.00	75160.00	72838.00	70689.00	79124.00	80607.00	67636.00	101306.00	75462.00
C5 H O6 S Esi-2.8479998	396110.00	351759.00	326599.00	378009.00	355758.00	360532.00	345033.00	308561.00	379444.00	341098.00	149491.00	347229.00	372784.00	386514.00	371702.00	347411.00	372031.00	377006.00	400095.00	329249.00	367552.00	365094.00	360136.00	350735.00	330764.00	331172.00	361331.00	351714.00	361304.00	341744.00
C21 H10 N6 O5	79635.00	62108.00	68793.00	75498.00	70565.00	70822.00	81049.00	83253.00	58177.00	96726.00	56850.00	29885.00	62624.00	90557.00	77541.00	65039.00	70394.00	60053.00	69683.00	64776.00	55005.00	72194.00	60961.00	68852.00	59510.00	62539.00	66543.00	84184.00	95358.00	55191.00
C10 H11 N5 O4 Esi-2.8349993	308536.00	178074.00	197472.00	276677.00	184230.00	210442.00	243431.00	212111.00	186046.00	265978.00	410053.00	191321.00	256833.00	285650.00	221921.00	188876.00	190063.00	183770.00	230477.00	171801.00	341956.00	217044.00	192685.00	260332.00	184696.00	180007.00	206782.00	206693.00	345370.00	195819.00
C10 H14 O16	89726.00	40773.00	66646.00	33826.00	34427.00	30901.00	40198.00	47050.00	52563.00	52351.00	29827.00	37286.00	15228.00	19683.00	59073.00	55666.00	23968.00	81197.00	31838.00	100990.00	24683.00	24478.00	47425.00	51809.00	46943.00	29038.00	31415.00	63417.00	37477.00	92842.00
C10 H6 N6 O6 S2	16274.00	1.00	12457.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10263.00	1.00	93073.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	29606.00	23815.00	1.00	1.00	1.00
C6 H2 N2 O7	80598.00	94355.00	82354.00	38959.00	23774.00	36521.00	37203.00	43257.00	75975.00	74785.00	57152.00	39057.00	34604.00	30272.00	36995.00	76448.00	72855.00	84962.00	32048.00	35483.00	30108.00	34873.00	34314.00	45893.00	93038.00	95596.00	112145.00	98523.00	95188.00	97876.00
C3 H6 O3 Esi-5.7989984	1.00	80742.00	144508.00	37123.00	1.00	31427.00	29302.00	1.00	42640.00	19899.00	42259.00	1.00	22815.00	1.00	83395.00	206518.00	102462.00	19986.00	1.00	78270.00	53316.00	1.00	1.00	24724.00	40573.00	1.00	1.00	1.00	1.00	103091.00
C31 H19 N8 O27 S Esi-5.2635555	1.00	1.00	1044039.00	414359.00	1.00	1.00	330365.00	187156.00	1.00	1.00	1951892.00	1911413.00	193931.00	1.00	1.00	1.00	617078.00	258568.00	2348590.00	1.00	473256.00	262935.00	542165.00	1595721.00	775115.00	1783114.00	2090268.00	1.00	2169462.00	1.00
C16 H30 N3 O3	29970.00	73019.00	35119.00	39545.00	85923.00	40460.00	50045.00	28483.00	18178.00	24575.00	36105.00	31116.00	97962.00	44190.00	41105.00	41866.00	37191.00	36964.00	74454.00	32546.00	29021.00	44300.00	29026.00	40830.00	33942.00	48198.00	65067.00	46215.00	52109.00	96484.00
C13 H7 N3	66542.00	51110.00	54003.00	58259.00	59263.00	60063.00	67891.00	73763.00	46375.00	121959.00	85423.00	49531.00	66422.00	133953.00	104270.00	101248.00	153460.00	49445.00	54048.00	138095.00	64032.00	60357.00	53300.00	56340.00	51876.00	65289.00	94620.00	69140.00	113273.00	48521.00
C5 H8 N4 O3 S	127274.00	132024.00	123772.00	108370.00	128866.00	105048.00	156881.00	225079.00	1.00	223777.00	94013.00	67320.00	66720.00	150617.00	114467.00	106238.00	107210.00	81231.00	76329.00	138265.00	88685.00	121870.00	88053.00	1.00	75855.00	106233.00	100500.00	201786.00	156565.00	81250.00
C8 H6 N4 O9	1.00	1.00	27979.00	1.00	1.00	14099.00	1.00	20125.00	1.00	1.00	1.00	17286.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11185.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C6 H6 N4 O2 Esi-1.0130004	367795.00	279017.00	531842.00	348080.00	267469.00	392669.00	363801.00	369433.00	339365.00	423567.00	335974.00	388538.00	308832.00	247618.00	182618.00	270251.00	315485.00	346302.00	303078.00	299477.00	293857.00	210906.00	357651.00	163446.00	312298.00	301942.00	312045.00	309243.00	297865.00	352067.00
C5 H O6 S Esi-2.8390002	393003.00	249108.00	170208.00	1.00	311197.00	371300.00	386979.00	351815.00	377739.00	1.00	222065.00	345454.00	372170.00	436152.00	333289.00	353125.00	387419.00	324816.00	404405.00	357228.00	1.00	379870.00	208286.00	1.00	337676.00	334345.00	363230.00	349431.00	1.00	338668.00
C9 H2 O7	111537.00	113928.00	111582.00	114257.00	117249.00	113485.00	99606.00	1.00	124566.00	91973.00	106685.00	123059.00	109630.00	113604.00	114147.00	134015.00	118341.00	121656.00	127618.00	144426.00	138202.00	130682.00	129708.00	127800.00	126408.00	126995.00	122821.00	110659.00	106303.00	131107.00
C19 H32 N3 O4 S	1.00	1.00	19869.00	87581.00	10885.00	21589.00	16944.00	1.00	32299.00	14863.00	1.00	1.00	1.00	1.00	17863.00	1.00	1.00	14588.00	1.00	15486.00	47622.00	1.00	1.00	19384.00	1.00	17215.00	26155.00	10964.00	1.00	21481.00
C3 H6 N3 S Esi-4.545999	168689.00	145951.00	281542.00	703015.00	237883.00	173659.00	678528.00	969741.00	261223.00	425597.00	669355.00	242581.00	846516.00	879624.00	416540.00	1.00	945621.00	1609710.00	142062.00	355378.00	789237.00	1.00	913349.00	240045.00	403908.00	208904.00	135375.00	328567.00	747653.00	1060244.00
C3 H6 O4 S	110569.00	95538.00	84112.00	76276.00	98048.00	99828.00	93836.00	83888.00	97797.00	83621.00	85586.00	86698.00	85970.00	80707.00	96837.00	97093.00	105167.00	115171.00	99674.00	82863.00	104985.00	93380.00	72754.00	70809.00	91696.00	98860.00	101752.00	114488.00	105340.00	119682.00
C21 H8 N9 O2	141771.00	149277.00	132913.00	161725.00	141401.00	139370.00	143547.00	138964.00	142593.00	153790.00	1.00	118382.00	160874.00	161817.00	171730.00	144305.00	160350.00	152149.00	150380.00	149729.00	153812.00	149370.00	131808.00	158398.00	167848.00	78860.00	144945.00	143809.00	130376.00	145446.00
C4 H2 O3 S2 Esi-7.6979985	104181.00	133271.00	98088.00	86574.00	76324.00	91120.00	84533.00	58906.00	65673.00	125235.00	99687.00	84703.00	79453.00	110191.00	92352.00	90122.00	119841.00	76008.00	77847.00	85650.00	102128.00	78466.00	87838.00	95866.00	94668.00	89149.00	85773.00	70608.00	82296.00	76186.00
C7 H N O11 S Esi-2.7099993	303184.00	310146.00	295479.00	306935.00	304304.00	301270.00	310309.00	306009.00	307911.00	320810.00	173335.00	327578.00	310791.00	321767.00	328232.00	334684.00	317366.00	323307.00	329980.00	312556.00	316703.00	302965.00	323238.00	325154.00	333875.00	320055.00	319280.00	315551.00	308065.00	324863.00
C30 H41 N10 O3	28294.00	32624.00	82515.00	14714.00	50565.00	45494.00	90477.00	23752.00	66927.00	31580.00	18059.00	76136.00	38319.00	18826.00	48727.00	47076.00	52291.00	73353.00	56100.00	39318.00	63786.00	27068.00	47747.00	78625.00	42317.00	34479.00	33285.00	59089.00	42433.00	17846.00
C8 H5 O7 S Esi-5.327001	1.00	64740.00	118280.00	90709.00	66234.00	82250.00	88149.00	96172.00	136446.00	84860.00	97793.00	59291.00	1.00	1.00	72549.00	57115.00	75298.00	79867.00	55248.00	86280.00	67294.00	57292.00	63607.00	70065.00	66312.00	86762.00	55464.00	1.00	80682.00	78084.00
C18 H30 O3 S Esi-2.8339999	160247.00	46912.00	58197.00	166068.00	60270.00	135320.00	128102.00	139055.00	108469.00	145693.00	208574.00	113700.00	146152.00	68315.00	142389.00	121827.00	122751.00	53300.00	74151.00	113590.00	176431.00	58663.00	53166.00	71051.00	121753.00	107510.00	119336.00	62322.00	169310.00	127681.00
C15 H26 N6 O3 S	1.00	15400.00	41591.00	112927.00	158184.00	37011.00	1.00	15315.00	39973.00	47122.00	35981.00	1.00	43489.00	1.00	43027.00	35047.00	11674.00	129840.00	34779.00	27776.00	85157.00	27211.00	19207.00	159456.00	15816.00	58952.00	32368.00	62142.00	1.00	79133.00
C18 H30 O3 S Esi-0.9729997 :1	59283.00	51353.00	72096.00	52159.00	55311.00	70523.00	39928.00	59901.00	61319.00	102319.00	58863.00	37756.00	106103.00	55266.00	77993.00	100038.00	88690.00	75790.00	61758.00	138084.00	73941.00	109049.00	37337.00	49675.00	56608.00	61129.00	71121.00	94271.00	57025.00	56154.00
C6 H9 N4 O3	56325.00	74717.00	93747.00	44241.00	77717.00	79273.00	71932.00	79917.00	79256.00	80496.00	53130.00	92021.00	66954.00	53342.00	97171.00	58943.00	69604.00	89824.00	58965.00	97336.00	81191.00	80012.00	80325.00	69943.00	54370.00	90457.00	56757.00	85765.00	67166.00	104790.00
C48 H8 N4 O	1.00	1.00	27297.00	19343.00	1.00	18030.00	19550.00	19120.00	1.00	15520.00	1.00	16386.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	21144.00	1.00	14334.00	14990.00	1.00	16273.00	1.00	15891.00
C9 H8 N3 O2	1.00	53137.00	58973.00	32511.00	53743.00	42975.00	88782.00	1.00	41337.00	17846.00	1.00	48478.00	31252.00	1.00	64903.00	16769.00	46202.00	76789.00	38371.00	51277.00	1.00	36915.00	44727.00	38063.00	74005.00	75534.00	56873.00	52553.00	1.00	27596.00
C15 H32 N2 O3 S3	1.00	1.00	21222.00	29473.00	11636.00	19695.00	26343.00	28198.00	83055.00	22251.00	1.00	12314.00	1.00	29547.00	18156.00	1.00	1.00	1.00	1.00	20358.00	14280.00	1.00	1.00	17301.00	24241.00	13070.00	30564.00	1.00	1.00	24521.00
C7 H10 O4	32143.00	51643.00	55013.00	53562.00	72104.00	101424.00	55953.00	32063.00	66617.00	14230.00	58290.00	99298.00	66903.00	38039.00	82400.00	59571.00	55465.00	56982.00	98151.00	59882.00	40653.00	61757.00	76258.00	38767.00	58034.00	57362.00	51998.00	52795.00	74896.00	68423.00
C7 H6 N O5	175719.00	166037.00	223719.00	105806.00	173230.00	139960.00	226753.00	90098.00	139695.00	75522.00	115910.00	187752.00	118557.00	56666.00	182062.00	89794.00	143759.00	312844.00	161279.00	182882.00	99930.00	127617.00	140760.00	123428.00	153950.00	176809.00	188180.00	205260.00	85780.00	214918.00
C5 H4 N4 O3	106030.00	50307.00	60931.00	29658.00	39505.00	34516.00	36221.00	53964.00	55481.00	61062.00	25243.00	29442.00	21102.00	24940.00	62126.00	42433.00	24313.00	75604.00	34021.00	87379.00	22073.00	27556.00	38401.00	51394.00	46108.00	39432.00	26273.00	61799.00	28223.00	89958.00
Lenthionine	1.00	1.00	87976.00	1.00	31162.00	1.00	55285.00	1.00	50070.00	1.00	1.00	1.00	60003.00	1.00	66450.00	1.00	8768.00	99834.00	93707.00	1.00	1.00	1.00	20167.00	1.00	43142.00	1.00	1.00	46697.00	1.00	14339.00
C37 H79 N2 O10 S	20435.00	17811.00	29994.00	19955.00	21414.00	12787.00	11504.00	46257.00	33923.00	81712.00	26841.00	23992.00	38500.00	28807.00	21473.00	32314.00	53766.00	42571.00	38400.00	94103.00	1.00	18494.00	23217.00	27672.00	26772.00	15312.00	20064.00	21222.00	21041.00	33372.00
C27 H48 N10	14417.00	23951.00	48823.00	12594.00	33247.00	25033.00	52802.00	26804.00	33004.00	1.00	21807.00	26853.00	38649.00	53100.00	51140.00	29360.00	1.00	108139.00	21988.00	13250.00	28632.00	29471.00	67762.00	30222.00	78912.00	102359.00	80070.00	24777.00	52271.00	64440.00
C33 H72 N16 O2	52725.00	58994.00	51201.00	52815.00	61587.00	65978.00	43135.00	50902.00	62909.00	53942.00	35176.00	37462.00	38085.00	34144.00	44104.00	44653.00	55699.00	34929.00	97460.00	53350.00	51171.00	37140.00	44234.00	39103.00	58613.00	54551.00	62993.00	85889.00	71241.00	67702.00
C6 H10 N3 O2 S Esi-4.4629993	240361.00	236329.00	375741.00	1.00	1002121.00	411649.00	932623.00	875883.00	906953.00	173419.00	318276.00	692253.00	1.00	629502.00	1.00	1.00	806629.00	1006395.00	901446.00	1.00	268615.00	1.00	407817.00	767847.00	768883.00	887159.00	242641.00	1.00	1.00	904064.00
C39 H79 N2 O9 S	26235.00	41500.00	105347.00	23506.00	50380.00	82925.00	70513.00	50158.00	72832.00	62899.00	17991.00	56664.00	14218.00	29475.00	35205.00	62956.00	33944.00	73185.00	35270.00	44278.00	84085.00	33789.00	38784.00	72879.00	33095.00	35948.00	16927.00	40399.00	55365.00	18549.00
C17 H28 O3 S Esi-0.9839998	74149.00	29660.00	65693.00	66189.00	52782.00	83644.00	76205.00	62317.00	85341.00	97914.00	80420.00	55948.00	73878.00	69613.00	95721.00	95602.00	58368.00	99597.00	74028.00	70544.00	87331.00	97735.00	66531.00	62648.00	75123.00	74048.00	73347.00	88799.00	80049.00	72896.00
C6 H6 N4 O2 Esi-1.6480002	13385.00	13555.00	20060.00	1.00	1.00	1.00	16446.00	1.00	40808.00	19118.00	1.00	1.00	1.00	1.00	1.00	27736.00	64631.00	97194.00	24612.00	34103.00	1.00	1.00	15584.00	59552.00	1.00	1.00	1.00	33957.00	19904.00	16058.00
C10 H17 N3 O8	36105.00	23248.00	35977.00	27330.00	21592.00	43367.00	39450.00	23059.00	11375.00	17099.00	75679.00	45790.00	20816.00	24937.00	34890.00	17995.00	29113.00	17249.00	1.00	22228.00	31081.00	25309.00	30089.00	21810.00	20201.00	30359.00	16821.00	22226.00	48905.00	54336.00
C4 H2 S3 Esi-0.9599996	79131.00	123184.00	393365.00	136197.00	61625.00	254540.00	122338.00	295328.00	113800.00	115305.00	121058.00	293325.00	1.00	31120.00	459188.00	202902.00	50685.00	287461.00	133878.00	129516.00	289163.00	180663.00	235674.00	314889.00	100678.00	315895.00	225183.00	133540.00	760258.00	185826.00
C32 H23 N2 O3	52007.00	48384.00	47428.00	44932.00	43735.00	38481.00	50287.00	46987.00	60792.00	43121.00	63734.00	57554.00	52082.00	84250.00	53438.00	68567.00	37836.00	63321.00	50877.00	66017.00	63602.00	56961.00	66860.00	85736.00	80696.00	74727.00	71387.00	57570.00	53930.00	71906.00
C5 H O6 S Esi-2.0289996	83057.00	43551.00	55510.00	43689.00	38589.00	57041.00	45588.00	37446.00	61348.00	40159.00	58604.00	58833.00	54206.00	50617.00	48070.00	64290.00	55067.00	52529.00	54342.00	49332.00	51078.00	46904.00	53692.00	46262.00	52457.00	56676.00	45167.00	48074.00	36481.00	51719.00
C9 H N3 O6 S3	161412.00	174253.00	164676.00	163660.00	167491.00	162624.00	1.00	165048.00	164517.00	173008.00	69871.00	182255.00	162221.00	1.00	64262.00	179890.00	172984.00	173754.00	178331.00	170793.00	168458.00	158953.00	172893.00	171917.00	186196.00	174436.00	168284.00	167541.00	159458.00	175423.00
C6 H O8 S Esi-1.5320002	66966.00	94672.00	49579.00	41026.00	65474.00	49434.00	43498.00	60630.00	59264.00	61144.00	47294.00	49166.00	43684.00	36875.00	101060.00	69954.00	44032.00	95055.00	50370.00	94445.00	34319.00	41127.00	53141.00	57199.00	114083.00	39092.00	66920.00	73876.00	56278.00	82862.00
C3 H2 N2 S2	100511.00	97873.00	99347.00	105074.00	78467.00	91615.00	81307.00	92493.00	80555.00	70151.00	100060.00	88586.00	105157.00	95291.00	101055.00	101140.00	101705.00	62005.00	88141.00	102505.00	94886.00	87869.00	99733.00	90647.00	101310.00	102058.00	83545.00	102644.00	81595.00	101476.00
C3 H3 Cl N4 O	81801.00	85529.00	95260.00	105203.00	62434.00	108111.00	76704.00	83107.00	106685.00	110752.00	104197.00	81348.00	119253.00	132611.00	98286.00	83901.00	83649.00	80038.00	103939.00	120587.00	121796.00	72092.00	83657.00	105069.00	88280.00	95782.00	130112.00	122710.00	110023.00	70189.00
C12 H5 N O5 S	113942.00	97647.00	93219.00	118490.00	116270.00	110735.00	125036.00	122809.00	95567.00	114738.00	124664.00	97551.00	108292.00	117432.00	110990.00	101549.00	112621.00	92397.00	116419.00	94459.00	129268.00	105960.00	96472.00	108046.00	93415.00	97465.00	93100.00	106477.00	114103.00	93915.00
C5 H4 N4	1.00	1.00	106505.00	1.00	97071.00	105782.00	95765.00	1.00	88886.00	95977.00	110133.00	206480.00	105087.00	101767.00	92950.00	116874.00	115102.00	113101.00	112376.00	1144068.00	120912.00	1.00	137250.00	1.00	1.00	1.00	1.00	114390.00	97120.00	1.00
C4 H2 S3 Esi-1.3379998 :1	79786.00	367892.00	573564.00	540936.00	192756.00	450152.00	370169.00	651183.00	1.00	1.00	481010.00	544869.00	539506.00	443684.00	256429.00	468968.00	438104.00	448955.00	334718.00	1.00	476427.00	389427.00	1.00	1.00	326687.00	516046.00	274667.00	794772.00	399061.00	454135.00
C5 H2 N4 O3	89197.00	51508.00	74390.00	55411.00	51419.00	45842.00	53496.00	69304.00	61608.00	65638.00	52441.00	56872.00	32082.00	31978.00	75836.00	70655.00	41176.00	93326.00	44176.00	88275.00	43391.00	54341.00	67732.00	58712.00	64660.00	38897.00	53463.00	73931.00	56077.00	111067.00
C4 H5 N3 O4	171994.00	93109.00	76280.00	64814.00	55424.00	63160.00	51430.00	63568.00	63237.00	70684.00	67723.00	77185.00	32407.00	46859.00	92052.00	69255.00	55443.00	109778.00	60475.00	95597.00	42198.00	57892.00	76215.00	73809.00	87855.00	59304.00	64896.00	1.00	48861.00	108277.00
C7 H4 N2 O4	57816.00	64152.00	62086.00	53153.00	36431.00	37027.00	51800.00	42998.00	61957.00	59988.00	67436.00	51132.00	56263.00	68712.00	40137.00	69211.00	48186.00	70848.00	41564.00	65108.00	51647.00	34560.00	52878.00	60293.00	57258.00	39121.00	60769.00	43730.00	56970.00	59083.00
C10 H8 S	318832.00	320344.00	222469.00	298060.00	270374.00	211548.00	295934.00	248376.00	343434.00	320704.00	238609.00	303492.00	372186.00	302335.00	244475.00	363637.00	225123.00	277793.00	162615.00	234049.00	290633.00	371878.00	259475.00	222772.00	288151.00	201835.00	246893.00	215874.00	276114.00	173487.00
C4 H2 N2 O2 S	114703.00	121736.00	115205.00	118318.00	126375.00	123349.00	39981.00	117286.00	116882.00	1.00	115160.00	1.00	117892.00	116677.00	124572.00	130217.00	123675.00	117569.00	125083.00	118800.00	129578.00	122671.00	57138.00	124725.00	119235.00	128458.00	72465.00	71063.00	115506.00	130431.00
C11 H6 N4 S	29426.00	14493.00	26733.00	19950.00	1.00	21956.00	17392.00	19454.00	18165.00	19753.00	15706.00	17038.00	19776.00	1.00	1.00	17521.00	15254.00	18084.00	15991.00	15200.00	14778.00	14258.00	21306.00	1.00	19414.00	15742.00	20705.00	17459.00	17084.00	19934.00
C12 H26 Cl2 N4	36015.00	82066.00	62360.00	93328.00	75967.00	93184.00	74981.00	76590.00	86893.00	42900.00	35444.00	107964.00	89060.00	77187.00	64085.00	69114.00	40498.00	76305.00	120229.00	105088.00	63852.00	77355.00	49173.00	85200.00	52890.00	77993.00	45299.00	96018.00	55643.00	80626.00
C12 H6 N2 O S	25500.00	18844.00	40552.00	29093.00	19572.00	32342.00	23543.00	36129.00	15957.00	20717.00	27312.00	29726.00	15268.00	16609.00	42724.00	59697.00	35748.00	21391.00	19025.00	22231.00	24695.00	21521.00	31130.00	16232.00	22612.00	28445.00	18755.00	26547.00	19914.00	22653.00
C26 H22 N O2	44016.00	63205.00	69974.00	57224.00	62813.00	80888.00	64845.00	54375.00	53373.00	49756.00	44096.00	68584.00	69563.00	65194.00	62694.00	68277.00	49459.00	57035.00	83101.00	68158.00	60295.00	61584.00	37901.00	57428.00	48930.00	67342.00	56376.00	75861.00	69101.00	58225.00
C4 H9 Cl2 N O6 S Esi-2.6930006	245031.00	233175.00	231074.00	242247.00	240841.00	237513.00	247581.00	247432.00	240587.00	251645.00	243648.00	247854.00	248216.00	253661.00	253170.00	265811.00	247913.00	250971.00	254257.00	239424.00	263310.00	234461.00	261989.00	262710.00	257563.00	246053.00	258405.00	240573.00	252827.00	256796.00
C13 H24 N3 O2	1.00	29357.00	44932.00	1.00	19077.00	1.00	35169.00	23163.00	26207.00	24896.00	24835.00	19912.00	42769.00	33297.00	35906.00	21497.00	1.00	55830.00	25284.00	31806.00	27014.00	30286.00	30135.00	28992.00	40249.00	33000.00	52195.00	19808.00	27421.00	55910.00
C4 H13 Cl N4 O S2	93131.00	102248.00	95937.00	80679.00	97107.00	82357.00	100869.00	134530.00	62094.00	138918.00	74102.00	58164.00	48398.00	101417.00	90251.00	85485.00	93990.00	65107.00	63641.00	96556.00	74382.00	91351.00	74704.00	63266.00	59894.00	83774.00	75737.00	121649.00	121992.00	61538.00
C4 H8 N3 S	1.00	108386.00	66128.00	64566.00	133741.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	139167.00	1.00	1.00	1.00	1.00	1.00	1.00	156727.00	105087.00	1.00	87305.00	69603.00	58265.00	159080.00	1.00	1.00	1.00	1.00
C19 H2 N4 O	1.00	10216.00	21243.00	15056.00	13119.00	23006.00	36851.00	19746.00	12138.00	13923.00	12380.00	15257.00	10221.00	21373.00	8848.00	14746.00	35674.00	1.00	15707.00	1.00	14532.00	24657.00	20271.00	1.00	16451.00	17959.00	14875.00	37294.00	24633.00	13287.00
C9 H7 N O	17862.00	28922.00	35426.00	14029.00	14227.00	33122.00	13029.00	39134.00	24270.00	41875.00	25245.00	27543.00	22292.00	28317.00	20553.00	22712.00	22299.00	31008.00	9212.00	90011.00	11804.00	16195.00	28963.00	25600.00	16013.00	20888.00	27582.00	26592.00	14061.00	23041.00
C4 H6 N3 O4 Esi-4.485	130719.00	348794.00	220361.00	326136.00	162984.00	130863.00	481054.00	402281.00	456632.00	443146.00	387421.00	385510.00	360703.00	445176.00	221209.00	1.00	193619.00	469486.00	873941.00	295649.00	903048.00	1.00	167887.00	429137.00	707131.00	130335.00	193932.00	300671.00	695015.00	594895.00
C28 H10 N12 O9	1.00	12792.00	21647.00	14150.00	1.00	16251.00	12754.00	13924.00	1.00	12689.00	1.00	11126.00	11259.00	1.00	1.00	11776.00	14241.00	1.00	1.00	1.00	13068.00	1.00	17026.00	1.00	11330.00	1.00	1.00	13393.00	1.00	12849.00
C7 H N O11 S Esi-2.7	303477.00	310146.00	295479.00	306935.00	304304.00	301270.00	310309.00	306009.00	307911.00	320810.00	173335.00	327578.00	310791.00	321767.00	328232.00	334684.00	317366.00	323307.00	329980.00	312556.00	1.00	302965.00	323238.00	1.00	333875.00	320055.00	319280.00	315551.00	1.00	324863.00
13C6-phe	82215.00	86937.00	83436.00	82919.00	79640.00	88294.00	87381.00	88357.00	87881.00	86889.00	80387.00	84143.00	90869.00	92049.00	92597.00	92940.00	91206.00	94359.00	89309.00	92085.00	87460.00	85539.00	89949.00	93912.00	87027.00	91856.00	88029.00	92211.00	76518.00	87416.00
Thimerosal	1.00	1.00	19419.00	11079.00	1.00	16290.00	15127.00	13363.00	1.00	1.00	1.00	11932.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14909.00	1.00	1.00	1.00	1.00	13722.00	1.00	1.00
C10 H20 N5 O10	50367.00	38514.00	29331.00	38609.00	45540.00	29422.00	80336.00	56892.00	59736.00	66198.00	17561.00	33641.00	38601.00	79109.00	41489.00	35415.00	35932.00	57869.00	36553.00	41606.00	58308.00	37938.00	35787.00	41168.00	32251.00	34000.00	52128.00	52203.00	102258.00	39688.00
C37 H66 N2 O3 S	23800.00	35142.00	56075.00	18810.00	26808.00	23523.00	59385.00	29127.00	71107.00	1.00	20279.00	24982.00	14339.00	35859.00	38448.00	52079.00	11360.00	47379.00	31644.00	35720.00	40827.00	26231.00	44602.00	38902.00	61486.00	88343.00	37839.00	21183.00	46963.00	37904.00
C20 H18 N14 O10	10372.00	9896.00	19480.00	16845.00	1.00	16544.00	12878.00	13599.00	11543.00	8781.00	12559.00	13701.00	10078.00	8823.00	1.00	10854.00	11039.00	12371.00	13677.00	9341.00	12354.00	1.00	13642.00	1.00	11556.00	14267.00	10840.00	15477.00	12123.00	15195.00
C28 H9 N9 O21	124313.00	44024.00	39407.00	1.00	21609.00	45217.00	15032.00	1.00	25862.00	34487.00	1.00	15435.00	80949.00	62136.00	21024.00	33765.00	17386.00	33237.00	102631.00	19952.00	50573.00	1.00	1.00	55709.00	44609.00	1.00	32988.00	39827.00	44304.00	28947.00
C6 H10 N3 O2 S Esi-5.3069997	17252.00	105371.00	34064.00	93257.00	51985.00	34341.00	83564.00	115418.00	141103.00	83207.00	97743.00	116148.00	1.00	1.00	1.00	1.00	88959.00	28026.00	140478.00	28742.00	17688.00	1.00	106072.00	120302.00	35234.00	84736.00	103993.00	119242.00	87960.00	83141.00
C16 H26 O3 S	31345.00	45938.00	44983.00	35365.00	34637.00	48784.00	40839.00	37626.00	46446.00	33867.00	39699.00	47421.00	50768.00	40184.00	41573.00	36540.00	28465.00	42714.00	82852.00	49329.00	39585.00	35033.00	33427.00	35933.00	38075.00	40096.00	33983.00	63110.00	40760.00	52880.00
C25 H17 N12	48169.00	43263.00	46302.00	38018.00	38919.00	33613.00	46807.00	43705.00	55130.00	39699.00	57329.00	51078.00	51868.00	75099.00	48290.00	59694.00	33518.00	54361.00	46431.00	57709.00	57924.00	52116.00	59108.00	76027.00	70708.00	65273.00	66596.00	48695.00	53875.00	64196.00
C10 H18 O8	28664.00	52939.00	18556.00	34977.00	70179.00	62510.00	34957.00	1.00	1.00	16685.00	1.00	1.00	20421.00	86318.00	21821.00	15953.00	1.00	1.00	38560.00	20220.00	11412.00	68977.00	1.00	1.00	1.00	42461.00	1.00	46930.00	40196.00	14344.00
C22 H42 N6 O2	38937.00	70939.00	115674.00	49668.00	61246.00	48284.00	99728.00	68163.00	89786.00	1.00	69483.00	64825.00	85199.00	84650.00	96536.00	59411.00	20064.00	143930.00	63198.00	64554.00	74640.00	88333.00	71348.00	79381.00	107508.00	96622.00	136076.00	63093.00	95335.00	130577.00
C10 H7 N5 S2 Esi-2.2599993	196549.00	222013.00	224147.00	189060.00	225089.00	189388.00	250525.00	334087.00	153459.00	350624.00	163582.00	131226.00	123712.00	242582.00	205844.00	195825.00	228927.00	145603.00	150462.00	223523.00	171982.00	217272.00	163898.00	145492.00	145631.00	191703.00	181125.00	303687.00	296137.00	134149.00
C6 H5 Cl S	102728.00	107442.00	108092.00	103591.00	112998.00	109421.00	57533.00	106209.00	101401.00	1.00	102724.00	102080.00	1.00	103701.00	108653.00	112202.00	109819.00	73904.00	110402.00	107102.00	111925.00	105625.00	105292.00	108733.00	109187.00	111918.00	101898.00	108240.00	105229.00	111101.00
C4 H6 N3 O4 Esi-4.485 :1	129203.00	345144.00	689543.00	322881.00	104086.00	121148.00	472997.00	395002.00	1050952.00	446211.00	388307.00	393125.00	364241.00	449447.00	222317.00	1.00	731712.00	466802.00	872146.00	161991.00	911871.00	1.00	476557.00	956785.00	743618.00	125579.00	128259.00	805750.00	380812.00	528979.00
C12 H16 O5	27103.00	1.00	176720.00	1.00	1.00	61754.00	21307.00	1.00	1.00	1.00	1.00	19433.00	377256.00	143481.00	105039.00	1.00	1.00	27472.00	1.00	43797.00	24010.00	20467.00	1.00	1.00	1.00	1.00	16700.00	1.00	1.00	1.00
Pantothenic Acid	28401.00	51288.00	23247.00	24692.00	1.00	1.00	1.00	33586.00	29900.00	21735.00	39341.00	25546.00	58659.00	88670.00	55255.00	59866.00	1.00	23629.00	1.00	140477.00	24971.00	1.00	20058.00	1.00	1.00	1.00	20842.00	21281.00	36092.00	27800.00
C12 H22 N3 O2	1.00	22086.00	47886.00	25494.00	19334.00	1.00	31418.00	22361.00	28986.00	1.00	22121.00	28754.00	39062.00	30237.00	32699.00	18663.00	1.00	47433.00	27423.00	22561.00	30925.00	26072.00	25824.00	30411.00	30006.00	30079.00	43707.00	13628.00	31913.00	55996.00
C17 H8 O3	53186.00	1.00	119156.00	49496.00	126970.00	46168.00	67352.00	69283.00	108792.00	58764.00	49154.00	1.00	32284.00	42867.00	53219.00	1.00	65165.00	1.00	51169.00	1.00	57743.00	45883.00	48558.00	57200.00	48106.00	1.00	56445.00	66808.00	64212.00	1.00
C3 H3 N3 O	122121.00	69929.00	93105.00	63565.00	71221.00	63766.00	65060.00	77234.00	84596.00	80224.00	75760.00	74565.00	47881.00	58086.00	91956.00	86648.00	53829.00	108644.00	65567.00	116068.00	53065.00	49750.00	75953.00	84559.00	78804.00	59756.00	61204.00	95553.00	68194.00	117591.00
C17 H26 O4 Esi-1.0580002	482440.00	72005.00	72841.00	73390.00	63071.00	547576.00	67401.00	71051.00	56698.00	50013.00	468176.00	78057.00	73167.00	78925.00	68073.00	327969.00	398254.00	73462.00	77201.00	81378.00	75671.00	355208.00	54493.00	420120.00	60390.00	71842.00	65928.00	75833.00	381741.00	51769.00
C28 H63 N28 O5	73291.00	69682.00	68788.00	64058.00	59183.00	61697.00	65260.00	65591.00	61395.00	83743.00	48375.00	55673.00	91150.00	66180.00	55475.00	74229.00	51093.00	68036.00	75237.00	64811.00	68815.00	77952.00	53808.00	74218.00	53680.00	55592.00	66848.00	67347.00	69501.00	61556.00
C6 H11 N5 O S	31417.00	87238.00	25443.00	56771.00	69978.00	37164.00	15381.00	48376.00	15181.00	28349.00	66074.00	63752.00	1.00	11149.00	12386.00	13826.00	14875.00	12517.00	23290.00	146042.00	40898.00	12405.00	32028.00	30430.00	26209.00	22463.00	29637.00	28584.00	18767.00	12862.00
C29 H48 N10	23723.00	38519.00	65306.00	28734.00	33547.00	17394.00	60074.00	38645.00	44698.00	13565.00	40752.00	34357.00	49331.00	53364.00	53617.00	40789.00	1.00	93446.00	35914.00	26320.00	49139.00	38340.00	41488.00	39831.00	59625.00	47449.00	91204.00	35012.00	44176.00	96671.00
C30 H24 N4 O30 S2 Esi-6.2549996	1.00	147340.00	43510.00	1.00	74790.00	259118.00	56073.00	34451.00	136961.00	1.00	1.00	1.00	185582.00	24430.00	1.00	32864.00	1.00	1.00	1.00	1.00	80595.00	35507.00	1.00	21072.00	391664.00	1.00	1.00	1.00	1.00	29937.00
C4 H2 O4 Esi-1.0510002 :2	269128.00	896140.00	964109.00	965289.00	552722.00	1076726.00	197672.00	478408.00	338871.00	946844.00	197293.00	622447.00	150837.00	893770.00	51982.00	403283.00	1732049.00	21818.00	1287029.00	987016.00	101779.00	643050.00	865753.00	939414.00	1193998.00	72341.00	26755.00	419053.00	450660.00	914794.00
C24 H44 N3 O4	12250.00	18775.00	59897.00	18980.00	25597.00	18021.00	37872.00	30630.00	34399.00	1.00	28292.00	25580.00	35516.00	36204.00	36375.00	22347.00	1.00	57185.00	30229.00	20711.00	29396.00	36072.00	31576.00	40948.00	48124.00	41699.00	69176.00	26015.00	44450.00	60784.00
C22 H10 N11 O6	1.00	1.00	16368.00	12983.00	1.00	14726.00	12644.00	12408.00	1.00	1.00	11106.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13443.00	1.00	1.00	15800.00	1.00	1.00	1.00	1.00	12710.00	11084.00	1.00
C30 H24 N4 O30 S2 Esi-2.6399999	674309.00	407458.00	93644.00	142716.00	291632.00	99445.00	1.00	1.00	294251.00	1.00	1.00	231168.00	393554.00	191942.00	1.00	89323.00	79299.00	101381.00	1.00	25493.00	324863.00	1.00	39149.00	144922.00	1.00	188111.00	70393.00	143667.00	113426.00	1.00
C6 H10 N3 O2 S Esi-5.105001	12187.00	114327.00	21135.00	103645.00	134080.00	13626.00	1.00	1.00	31114.00	1.00	1.00	92275.00	106620.00	1.00	345874.00	228831.00	99074.00	14975.00	103735.00	99609.00	24732.00	274430.00	111479.00	31256.00	119589.00	1.00	111124.00	1.00	1.00	1.00
C33 H6 N3 O4 Esi-1.0569997	34119.00	27717.00	64908.00	43607.00	24147.00	49546.00	42710.00	48116.00	28297.00	34739.00	36316.00	39275.00	28290.00	27921.00	22037.00	31843.00	41638.00	30679.00	32797.00	26385.00	34694.00	30817.00	55295.00	19990.00	36232.00	35099.00	31304.00	43514.00	34969.00	41074.00
C7 H6 O3 Esi-1.233	25791.00	28891.00	16918.00	12734.00	26535.00	39872.00	23305.00	1.00	15354.00	30988.00	20096.00	30120.00	19652.00	813322.00	39444.00	26489.00	32094.00	20668.00	723059.00	1.00	21503.00	50690.00	90988.00	1.00	26233.00	27721.00	47855.00	872914.00	41575.00	18153.00
C8 H8 N4 O5 S2	1.00	1.00	15344.00	1.00	1.00	1.00	13773.00	1.00	1.00	1.00	1.00	14289.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C9 H4 O3 Esi-2.2174833	286781.00	333792.00	271823.00	213015.00	283578.00	276176.00	319136.00	475194.00	191147.00	548283.00	183736.00	124491.00	124277.00	377965.00	296182.00	121532.00	317251.00	157580.00	213202.00	256091.00	229774.00	301611.00	237736.00	198339.00	150564.00	265128.00	185639.00	408433.00	1.00	193701.00
C4 H6 O3 Esi-1.8740002	26221.00	43978.00	25268.00	34224.00	42475.00	51683.00	17031.00	1.00	10716.00	11807.00	1.00	1.00	23901.00	83495.00	17941.00	20803.00	1.00	1.00	24777.00	35823.00	1.00	45186.00	1.00	1.00	1.00	22775.00	1.00	17395.00	16733.00	1.00
C10 H4 N O5 S2	19348.00	1.00	28855.00	1.00	34580.00	34495.00	22491.00	31774.00	24186.00	13465.00	39238.00	30372.00	16618.00	18310.00	36257.00	54397.00	35506.00	29683.00	14228.00	22379.00	20217.00	88472.00	17881.00	68055.00	16803.00	58854.00	1.00	34007.00	16295.00	17019.00
C4 H2 O3 S2 Esi-2.0320005	133615.00	190670.00	170792.00	180897.00	156743.00	176990.00	177650.00	161936.00	176863.00	161152.00	213008.00	177158.00	160864.00	194736.00	185977.00	154192.00	186954.00	178446.00	163441.00	174304.00	164342.00	183517.00	171855.00	170426.00	202628.00	154105.00	167723.00	110920.00	172757.00	169765.00
C4 H4 O2	490755.00	304002.00	303471.00	439245.00	313667.00	358027.00	409683.00	360571.00	289340.00	432433.00	657843.00	305552.00	397366.00	481728.00	401467.00	323102.00	336010.00	288113.00	407672.00	301310.00	567259.00	338986.00	316243.00	450284.00	328197.00	319518.00	337785.00	346285.00	533656.00	330724.00
C30 H60 N6 O4	22119.00	33650.00	57624.00	14249.00	29133.00	20110.00	60620.00	32669.00	69296.00	1.00	36209.00	31110.00	28397.00	43837.00	52311.00	62575.00	1.00	75682.00	25929.00	26095.00	38621.00	39398.00	52874.00	33538.00	73083.00	87417.00	71712.00	29396.00	55392.00	54656.00
C28 H59 N29	34573.00	39350.00	42687.00	20536.00	21034.00	17616.00	53578.00	39992.00	43614.00	26761.00	19430.00	46540.00	87666.00	24579.00	33202.00	59690.00	59340.00	40154.00	34507.00	52030.00	33220.00	23052.00	38440.00	54399.00	44766.00	37966.00	22033.00	51887.00	32447.00	61146.00
C21 H6 N5 O3 Esi-1.0930003	39341.00	34324.00	63864.00	46737.00	38176.00	62482.00	46576.00	54967.00	30722.00	40675.00	42728.00	46340.00	37194.00	32184.00	39670.00	37201.00	53506.00	35401.00	38154.00	32400.00	41215.00	73555.00	57092.00	23159.00	37199.00	46321.00	35018.00	46006.00	37014.00	45003.00
C7 H9 N O9	100290.00	59620.00	93797.00	68703.00	64368.00	61985.00	73866.00	88400.00	92300.00	90261.00	71658.00	72793.00	47995.00	51302.00	76400.00	85248.00	70054.00	118531.00	59273.00	94199.00	56073.00	52743.00	73925.00	86150.00	79370.00	58718.00	70246.00	79778.00	72222.00	105783.00
C23 H40 N6 O	17410.00	20411.00	56101.00	19309.00	26934.00	20160.00	38097.00	37565.00	43186.00	1.00	30329.00	25289.00	33228.00	45456.00	36032.00	29848.00	1.00	58713.00	26378.00	21765.00	36228.00	43824.00	36194.00	34503.00	45147.00	42148.00	69341.00	27127.00	32655.00	58180.00
C6 H13 N O9 Esi-2.8249998	367420.00	228683.00	244349.00	356153.00	228313.00	269902.00	318425.00	264413.00	254061.00	321325.00	471676.00	252359.00	312224.00	330323.00	295763.00	254317.00	254947.00	257286.00	299309.00	221828.00	411733.00	276377.00	266461.00	321267.00	241955.00	231667.00	277949.00	262993.00	409207.00	267564.00
C7 H10 N3 O7	65240.00	50629.00	54373.00	74016.00	52227.00	55861.00	56519.00	57788.00	56465.00	64173.00	85630.00	54565.00	66517.00	65442.00	59454.00	55527.00	58605.00	52808.00	59228.00	49434.00	67744.00	59129.00	57479.00	66148.00	48566.00	54749.00	58505.00	61312.00	66238.00	55880.00
C9 H20 N3 O9	16492.00	24265.00	22079.00	32067.00	24405.00	1.00	27161.00	20768.00	26276.00	48404.00	1.00	1.00	1.00	1.00	24268.00	1.00	23949.00	17080.00	76668.00	1.00	34235.00	27346.00	26280.00	22909.00	1.00	23513.00	26460.00	25856.00	1.00	34488.00
C3 H6 N3 S Esi-5.192001	619036.00	596336.00	589976.00	406190.00	255934.00	480813.00	665401.00	668550.00	709273.00	622017.00	715176.00	284992.00	653461.00	337015.00	699645.00	739714.00	784213.00	402149.00	691693.00	589381.00	458010.00	925500.00	623457.00	724997.00	493358.00	526144.00	561576.00	607911.00	531188.00	589521.00
C6 H12 N6 O S Esi-3.7029994	1.00	93513.00	58590.00	95594.00	123613.00	92849.00	58467.00	1.00	1.00	1.00	70414.00	108103.00	250539.00	1.00	1.00	1.00	1.00	1.00	1.00	116177.00	144452.00	1.00	63471.00	55254.00	1.00	112642.00	1.00	1.00	77062.00	95349.00
C5 H6 N4 O5	1.00	82834.00	185592.00	55674.00	65664.00	1.00	65985.00	156579.00	59406.00	101441.00	77009.00	134572.00	97010.00	47260.00	96094.00	1.00	50908.00	111847.00	1.00	222774.00	64092.00	61875.00	97269.00	1.00	68816.00	63501.00	125255.00	39855.00	142483.00	128752.00
C17 H6 N2 O18 S2	21425.00	42947.00	29620.00	34846.00	49558.00	1.00	30946.00	27198.00	30746.00	63578.00	72798.00	134635.00	15941.00	34662.00	45584.00	75721.00	72612.00	66587.00	1.00	1.00	37696.00	21460.00	95671.00	31967.00	36537.00	23295.00	111968.00	42109.00	98802.00	1.00
C19 H4 N5 O	1.00	1.00	14631.00	9840.00	1.00	14895.00	11770.00	13202.00	1.00	1.00	1.00	11792.00	1.00	1.00	1.00	1.00	11883.00	1.00	11040.00	1.00	1.00	10575.00	13280.00	1.00	1.00	11028.00	11033.00	12178.00	1.00	1.00
C32 H64 N6 O3	10931.00	65959.00	52737.00	24249.00	20730.00	20822.00	82848.00	22075.00	67884.00	1.00	41873.00	31896.00	20869.00	36016.00	41406.00	27262.00	12014.00	79133.00	38997.00	35159.00	41067.00	52448.00	30532.00	47377.00	50248.00	60864.00	47443.00	24785.00	49538.00	44206.00
C30 H56 N9 O3	18909.00	34766.00	55783.00	18154.00	34659.00	18494.00	68306.00	40447.00	48254.00	14148.00	27992.00	28317.00	29506.00	32543.00	47937.00	46267.00	10469.00	83890.00	44351.00	45718.00	58479.00	43217.00	41316.00	45839.00	48311.00	61435.00	47130.00	27085.00	38122.00	48967.00
C32 H58 N3 O4	15137.00	38225.00	60377.00	22090.00	32357.00	20750.00	73422.00	30328.00	66448.00	1.00	47256.00	32256.00	29253.00	40869.00	46263.00	40177.00	1.00	75254.00	35243.00	33765.00	41425.00	78105.00	36938.00	42239.00	55173.00	51708.00	72774.00	41342.00	49415.00	60706.00
C17 H28 O3 S Esi-2.0470006	68760.00	55438.00	58061.00	51197.00	48686.00	53099.00	55290.00	48847.00	69902.00	46756.00	57284.00	66641.00	58308.00	45933.00	67748.00	55272.00	54730.00	62357.00	62800.00	55984.00	67205.00	57669.00	69714.00	50730.00	49082.00	54708.00	50994.00	52278.00	62250.00	66941.00
C3 H9 N3 O6	30990.00	123601.00	24134.00	16423.00	17069.00	115875.00	24355.00	55900.00	168993.00	26066.00	1.00	54310.00	58352.00	1.00	203061.00	16970.00	101727.00	167312.00	12741.00	99797.00	1.00	1.00	19216.00	170289.00	1.00	111526.00	1.00	20218.00	47012.00	23583.00
Methyl(S)-3-hydroxybutyrate	42403.00	29226.00	39624.00	29021.00	30004.00	37123.00	36333.00	26282.00	34130.00	33477.00	67002.00	49906.00	52184.00	38124.00	49734.00	35116.00	42789.00	33534.00	16937.00	43341.00	36408.00	59480.00	47479.00	32501.00	23999.00	80963.00	22525.00	49408.00	42762.00	57069.00
C31 H19 N8 O27 S Esi-6.001	1090257.00	179445.00	105016.00	970484.00	2143296.00	1.00	2579846.00	1.00	2389348.00	1.00	2065332.00	1858899.00	1747959.00	1.00	648729.00	1.00	1.00	1.00	1.00	2359583.00	1.00	230366.00	1042830.00	556269.00	1643998.00	1.00	1.00	3474512.00	1290814.00	1142339.00
C8 H2 O3	81301.00	91726.00	71670.00	72968.00	85408.00	65336.00	81278.00	90421.00	66503.00	65126.00	68681.00	79564.00	94107.00	68210.00	90187.00	68740.00	88811.00	109713.00	110279.00	72690.00	104635.00	69002.00	70097.00	57676.00	65335.00	98211.00	135118.00	96076.00	92025.00	103025.00
C30 H54 N6 O3	15953.00	33095.00	59177.00	20901.00	32435.00	17193.00	61831.00	29644.00	49401.00	10132.00	45176.00	29322.00	33558.00	40398.00	45194.00	31968.00	1.00	82895.00	39528.00	27286.00	44232.00	58551.00	30665.00	38125.00	46236.00	40517.00	75627.00	35482.00	38420.00	65227.00
Zingerone	38677.00	1.00	187398.00	1.00	20209.00	69815.00	27614.00	1.00	21103.00	15664.00	25125.00	67512.00	387087.00	154012.00	108207.00	1.00	1.00	44170.00	1.00	55002.00	31427.00	27268.00	23113.00	1.00	1.00	1.00	28691.00	1.00	1.00	1.00
C4 H2 O3 S2 Esi-2.0320005 :1	132232.00	270469.00	229116.00	196249.00	209417.00	175343.00	194523.00	194273.00	199001.00	202074.00	250587.00	201936.00	188257.00	227854.00	207353.00	255865.00	241526.00	194177.00	237137.00	168596.00	193509.00	220949.00	191868.00	209366.00	197707.00	189986.00	233471.00	148909.00	196445.00	177379.00
C5 H6 O3 Esi-2.8359993 :1	1358230.00	812926.00	808077.00	1234283.00	867330.00	988646.00	1128465.00	985540.00	829345.00	1187500.00	1840599.00	846582.00	1123381.00	1371599.00	1108840.00	942654.00	978815.00	831386.00	1167588.00	856538.00	1585033.00	543386.00	895167.00	1282121.00	920275.00	886612.00	981456.00	1017430.00	1538479.00	920737.00
C30 H56 N12 O2	19725.00	52199.00	66546.00	24748.00	35109.00	18980.00	82970.00	47142.00	76640.00	19266.00	31707.00	30036.00	21269.00	30388.00	46978.00	55976.00	11045.00	59238.00	40933.00	52094.00	56642.00	48291.00	48768.00	47556.00	65050.00	71155.00	55213.00	33213.00	49012.00	44535.00
AFMK	70686.00	1.00	30138.00	1.00	1.00	28303.00	1.00	24090.00	1.00	23063.00	24337.00	1.00	1.00	38124.00	17350.00	11006.00	40066.00	1.00	12213.00	1.00	1.00	1.00	10920.00	1.00	17451.00	28034.00	1.00	1.00	1.00	1.00
C23 H20 N6 O8 S	1.00	1.00	14469.00	12748.00	1.00	14753.00	9649.00	10450.00	1.00	1.00	10285.00	12565.00	1.00	9355.00	1.00	9348.00	11611.00	9435.00	14059.00	8728.00	10163.00	8840.00	10986.00	1.00	1.00	12405.00	9901.00	13664.00	9732.00	13231.00
C20 H20 N O7	62793.00	38006.00	41810.00	51229.00	38747.00	41928.00	58197.00	56540.00	1.00	76657.00	72850.00	1.00	42254.00	66916.00	51131.00	1.00	41744.00	1.00	39866.00	36272.00	58203.00	46749.00	1.00	41192.00	1.00	1.00	39107.00	51816.00	82712.00	1.00
C23 H2 N2 O20 S	82878.00	86322.00	53201.00	59793.00	61081.00	54888.00	60726.00	59517.00	81216.00	59673.00	81625.00	67711.00	79538.00	50145.00	55408.00	64928.00	90879.00	58733.00	66532.00	60592.00	87202.00	84615.00	60396.00	57495.00	62432.00	56965.00	92793.00	62417.00	50022.00	64400.00
C4 H5 N4 O3	42671.00	55800.00	46167.00	40147.00	34324.00	44171.00	48992.00	64843.00	75207.00	62704.00	29372.00	58707.00	46595.00	19909.00	43378.00	22319.00	53214.00	78875.00	66758.00	68923.00	74774.00	26958.00	78694.00	80195.00	61675.00	47360.00	50578.00	58194.00	43430.00	63167.00
C25 H24 N O3	24515.00	28415.00	18662.00	31775.00	16152.00	19668.00	11296.00	25602.00	68058.00	11991.00	30193.00	12415.00	25504.00	17994.00	18711.00	37602.00	30890.00	26369.00	33487.00	42898.00	33312.00	21586.00	30305.00	18802.00	23487.00	31624.00	17391.00	14215.00	34088.00	27496.00
C26 H42 N3 O3	12047.00	22338.00	50239.00	27179.00	29294.00	17986.00	51042.00	35030.00	45363.00	1.00	56239.00	36838.00	34450.00	42553.00	42830.00	25325.00	1.00	78743.00	26585.00	29610.00	44181.00	44092.00	29963.00	43828.00	42714.00	30691.00	68409.00	27100.00	40921.00	67397.00
C51 H22 N11 O	19621.00	15233.00	30234.00	18277.00	14854.00	21019.00	19342.00	21155.00	20458.00	26698.00	17990.00	24684.00	18996.00	15070.00	9618.00	15415.00	16626.00	20720.00	16813.00	17600.00	16426.00	12050.00	19254.00	1.00	17185.00	17033.00	18173.00	17249.00	16690.00	19500.00
C17 H26 O4 Esi-2.0359995	76565.00	45341.00	67373.00	56260.00	40892.00	61813.00	40761.00	46835.00	46105.00	49195.00	76187.00	59309.00	64741.00	58262.00	47238.00	74636.00	58587.00	53343.00	46876.00	72874.00	61396.00	64878.00	54648.00	72223.00	40466.00	62445.00	42562.00	36727.00	50727.00	73205.00
C36 H40 N3 O10	43255.00	33778.00	44879.00	60497.00	50815.00	56327.00	41028.00	49648.00	45144.00	48408.00	39631.00	52528.00	51478.00	47272.00	39477.00	58807.00	48966.00	33084.00	74857.00	56289.00	47356.00	40179.00	53265.00	55699.00	33075.00	44727.00	40034.00	61682.00	57391.00	62628.00
C14 H22 O4	44341.00	45379.00	26304.00	17993.00	16924.00	17746.00	54143.00	41582.00	26597.00	68351.00	20289.00	23362.00	26629.00	53188.00	29245.00	28671.00	18180.00	33822.00	33482.00	32532.00	28430.00	18630.00	24672.00	26965.00	21057.00	24621.00	23075.00	23422.00	20537.00	40235.00
C28 H54 N9 O	1.00	45385.00	24725.00	15444.00	17201.00	13489.00	50821.00	10524.00	39536.00	1.00	43057.00	21457.00	16084.00	20710.00	30962.00	17598.00	12778.00	40587.00	27777.00	21050.00	20533.00	80019.00	16891.00	30461.00	26703.00	18854.00	38879.00	26547.00	23084.00	26345.00
C18 H34 N6 O2	1.00	9499.00	43492.00	16416.00	24769.00	1.00	32862.00	23312.00	35662.00	1.00	64562.00	22795.00	21560.00	24420.00	21883.00	18667.00	1.00	65495.00	26164.00	18731.00	28083.00	44956.00	15630.00	32311.00	38649.00	24047.00	60077.00	12260.00	43734.00	51182.00
C29 H15 N2 O26	1.00	1.00	214440.00	25641.00	1.00	25998.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	28359.00	34159.00	106917.00	40168.00	1.00	1.00	36345.00	1.00	1.00	1.00	1.00	33664.00	1.00
C5 H6 N4 O5 Esi-2.5589988	59709.00	133050.00	172140.00	40998.00	30942.00	39400.00	32722.00	61378.00	164948.00	35633.00	44926.00	105354.00	78250.00	20215.00	143238.00	61174.00	30847.00	55708.00	119080.00	34069.00	31796.00	43446.00	63041.00	23729.00	36694.00	56240.00	98655.00	55230.00	125745.00	219686.00
C8 H13 N4 O9	48428.00	73636.00	41708.00	36649.00	63572.00	61535.00	45274.00	1.00	34404.00	38172.00	16830.00	16450.00	38131.00	59883.00	43643.00	33633.00	1.00	11274.00	64630.00	45124.00	21326.00	56524.00	14253.00	20541.00	13449.00	51307.00	14844.00	58224.00	51734.00	20673.00
C4 H2 N4 S	111176.00	120912.00	103983.00	121173.00	120945.00	132732.00	117704.00	133175.00	88445.00	120829.00	156430.00	121766.00	103538.00	113606.00	134918.00	107505.00	118686.00	110638.00	139800.00	106530.00	146528.00	118835.00	118223.00	129188.00	121368.00	113805.00	117266.00	134273.00	136318.00	110215.00
C8 H2 O3 Esi-2.0029993	98399.00	32987.00	25032.00	15562.00	34186.00	25868.00	20323.00	54225.00	1.00	65098.00	12911.00	12598.00	13337.00	18057.00	29389.00	14343.00	18228.00	14019.00	86530.00	28476.00	16044.00	106466.00	1.00	1.00	12815.00	27693.00	22154.00	35856.00	43351.00	13208.00
C6 H3 O6 S	76267.00	66315.00	72213.00	79970.00	71316.00	71545.00	86049.00	67588.00	54469.00	75552.00	92769.00	77454.00	76384.00	82211.00	82470.00	67066.00	76611.00	65847.00	81230.00	77523.00	76297.00	78742.00	74998.00	73290.00	66001.00	64765.00	70894.00	84848.00	80320.00	75570.00
C24 H42 N3 O3	13660.00	27964.00	45807.00	32792.00	33561.00	18416.00	40726.00	29907.00	43091.00	11780.00	47601.00	27545.00	36563.00	39911.00	40915.00	24628.00	15977.00	55524.00	28849.00	33855.00	28624.00	43463.00	26202.00	40937.00	39833.00	27452.00	58490.00	25393.00	42267.00	61445.00
C47 H10 N6 O7	1.00	10519.00	12032.00	1.00	1.00	12372.00	9056.00	8938.00	1.00	11235.00	1.00	1.00	1.00	1.00	1.00	1.00	9876.00	1.00	1.00	1.00	9269.00	1.00	10287.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C15 H3 N S2	117241.00	98732.00	90104.00	103516.00	95112.00	96781.00	102990.00	98384.00	92459.00	107764.00	109239.00	96215.00	105554.00	103918.00	109605.00	92795.00	93178.00	92541.00	102093.00	89032.00	102353.00	89713.00	89630.00	99437.00	87180.00	88493.00	94393.00	93409.00	108319.00	91155.00
C42 H22 N10 O4	17526.00	14889.00	27444.00	18624.00	14739.00	19777.00	21004.00	19717.00	19099.00	24010.00	19667.00	23232.00	18079.00	14444.00	9132.00	12485.00	16789.00	18013.00	15733.00	16129.00	14870.00	10826.00	20049.00	1.00	16529.00	17228.00	18514.00	17957.00	15550.00	18840.00
L-Norvaline	39176.00	52099.00	70585.00	31513.00	56916.00	56351.00	50810.00	60170.00	60198.00	55459.00	35028.00	65241.00	49000.00	36381.00	69939.00	39229.00	44902.00	65578.00	39764.00	72815.00	52855.00	54108.00	58192.00	46897.00	36350.00	59063.00	38113.00	62966.00	43754.00	76697.00
C11 H20 N3 O	29426.00	49067.00	56643.00	26583.00	33647.00	27978.00	49324.00	36242.00	34726.00	33048.00	34152.00	36057.00	51975.00	53221.00	46229.00	33957.00	23325.00	60555.00	38880.00	28960.00	39469.00	29804.00	35830.00	33940.00	39154.00	43217.00	49011.00	34211.00	36651.00	78862.00
C37 H26 N9 O	1.00	1.00	11893.00	1.00	1.00	12769.00	8939.00	1.00	1.00	1.00	10206.00	10422.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9247.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C41 H68 N11 O2	52121.00	62363.00	70712.00	54300.00	56410.00	42512.00	68639.00	49914.00	74959.00	54642.00	28690.00	33994.00	54898.00	44283.00	45592.00	54039.00	51176.00	71226.00	77749.00	54703.00	47934.00	43836.00	40524.00	54367.00	34564.00	34736.00	51352.00	52903.00	47564.00	33318.00
C7 H6 N S Esi-2.6819994	53449.00	16002.00	119223.00	19750.00	120105.00	135934.00	17656.00	15928.00	91839.00	47342.00	27857.00	11481.00	23647.00	29616.00	178769.00	25457.00	159368.00	106346.00	17927.00	19608.00	86412.00	10564.00	8612.00	16513.00	179429.00	9842.00	175431.00	26954.00	209496.00	18083.00
C13 H25 N O3	68502.00	19044.00	15630.00	10753.00	16120.00	9939.00	12747.00	13811.00	20370.00	55518.00	17987.00	14542.00	35826.00	26576.00	28426.00	29868.00	21713.00	66167.00	15893.00	21734.00	23248.00	19543.00	13323.00	12589.00	27973.00	24266.00	14566.00	15696.00	32920.00	59463.00
C15 H22 O3	65528.00	70478.00	72676.00	63454.00	95866.00	53632.00	75074.00	70991.00	46734.00	67372.00	51830.00	48858.00	84230.00	77412.00	65902.00	49531.00	61341.00	59496.00	52682.00	72230.00	56215.00	57819.00	63005.00	46900.00	65271.00	56649.00	50301.00	43669.00	55174.00	55304.00
C30 H60 N9 O	9759.00	65114.00	30985.00	20985.00	18895.00	20494.00	60602.00	18725.00	51249.00	10151.00	44534.00	29960.00	16565.00	23751.00	31853.00	23081.00	19138.00	50956.00	43507.00	30121.00	41133.00	77124.00	18673.00	28653.00	32654.00	36551.00	29378.00	26892.00	30949.00	34767.00
C10 H8 S Esi-5.2290025	318697.00	323302.00	213239.00	298060.00	273812.00	211584.00	299337.00	248158.00	343434.00	320664.00	237088.00	226685.00	365718.00	301801.00	244475.00	363637.00	294517.00	269553.00	294487.00	313442.00	293981.00	371878.00	259370.00	257606.00	291261.00	202147.00	245526.00	197569.00	276114.00	172924.00
C4 H5 N3 O4 Esi-2.5520012	81238.00	63410.00	53376.00	50820.00	53103.00	29697.00	52334.00	29926.00	40321.00	43248.00	53032.00	32387.00	36418.00	58551.00	47358.00	45357.00	36465.00	41089.00	50323.00	141619.00	1.00	46464.00	10902.00	53452.00	50141.00	31428.00	95250.00	87598.00	60946.00	21693.00
C16 H28 N3 O3	10181.00	18610.00	64302.00	1.00	19264.00	11366.00	18341.00	1.00	1.00	16565.00	13813.00	1.00	29195.00	12810.00	12462.00	15166.00	1.00	17036.00	23102.00	1.00	1.00	12076.00	1.00	14516.00	12356.00	12594.00	14951.00	13480.00	13621.00	32497.00
C16 H28 N3 O2 S	78020.00	104190.00	106426.00	88819.00	98139.00	110082.00	40644.00	68569.00	102470.00	95561.00	29318.00	92209.00	122276.00	80426.00	79362.00	80891.00	59645.00	98623.00	146420.00	117330.00	77841.00	66701.00	68793.00	75957.00	85354.00	103877.00	84207.00	127568.00	99387.00	104082.00
C12 H20 O2	80260.00	72772.00	40826.00	31980.00	31709.00	37355.00	70578.00	75589.00	33884.00	36766.00	24645.00	36942.00	39931.00	89142.00	35070.00	29449.00	26182.00	44735.00	36505.00	32725.00	26457.00	34813.00	31393.00	30139.00	30828.00	29125.00	30933.00	27742.00	24475.00	32424.00
C37 H65 N20	39899.00	35315.00	58152.00	26201.00	23617.00	15300.00	47186.00	43088.00	46591.00	23601.00	15059.00	74841.00	54086.00	27096.00	65277.00	46841.00	65521.00	36345.00	32712.00	62945.00	33770.00	17033.00	39334.00	43232.00	37799.00	29248.00	18901.00	55002.00	17593.00	34602.00
C7 H3 N O9 S2	75324.00	73233.00	75115.00	73862.00	78464.00	74451.00	76934.00	77113.00	80445.00	50230.00	31067.00	80445.00	76574.00	76887.00	78814.00	84449.00	79464.00	79650.00	81579.00	79095.00	77101.00	78960.00	83369.00	79615.00	83420.00	79532.00	75930.00	76763.00	76874.00	81888.00
C23 H50 N6 O2	12757.00	19365.00	33690.00	15757.00	19709.00	21581.00	40799.00	21205.00	38984.00	10517.00	1.00	28407.00	20621.00	30432.00	31329.00	29138.00	9301.00	26980.00	30902.00	23996.00	25573.00	14485.00	23081.00	16795.00	34696.00	57707.00	30886.00	20350.00	31580.00	33629.00
C6 H O8 S Esi-1.6699994	107133.00	45574.00	20085.00	31020.00	87210.00	34875.00	23923.00	25917.00	49435.00	37930.00	44625.00	44797.00	41460.00	86070.00	28766.00	46387.00	37399.00	71138.00	66639.00	58992.00	33936.00	28652.00	28883.00	69033.00	193454.00	32138.00	22391.00	38765.00	30617.00	32912.00
C3 H4 N2 O3	74152.00	42902.00	44463.00	43016.00	45508.00	38686.00	41864.00	34594.00	49624.00	41785.00	46123.00	47719.00	33275.00	22000.00	43941.00	47911.00	42234.00	70844.00	35026.00	67285.00	41208.00	36237.00	39356.00	59240.00	59563.00	30351.00	31356.00	60012.00	40481.00	71448.00
C16 H32 N3 O2	1.00	55280.00	31829.00	28432.00	23678.00	33345.00	26647.00	43792.00	30874.00	19045.00	1.00	32494.00	55200.00	24902.00	34413.00	28612.00	39088.00	24637.00	62139.00	60041.00	22994.00	23471.00	25923.00	36129.00	38892.00	37800.00	24439.00	50251.00	25505.00	48021.00
C5 H7 N6 O5	28600.00	35941.00	32932.00	40496.00	40467.00	28570.00	41631.00	33285.00	40719.00	58141.00	1.00	25569.00	1.00	1.00	40962.00	31725.00	40037.00	34218.00	70653.00	29276.00	49028.00	44981.00	42086.00	43168.00	30569.00	39632.00	45332.00	44931.00	27429.00	48317.00
C5 H4 N4 O2 Esi-1.9270009	59334.00	90099.00	170893.00	116141.00	198296.00	119860.00	63430.00	131349.00	140578.00	52669.00	196910.00	161622.00	238247.00	101886.00	57777.00	92509.00	91293.00	97863.00	206093.00	96418.00	172450.00	116825.00	125514.00	205125.00	85896.00	202332.00	56854.00	415312.00	61887.00	140232.00
C4 H5 Cl N O	28518.00	1.00	51581.00	35528.00	17508.00	1.00	33411.00	57346.00	37526.00	53291.00	54283.00	49441.00	60419.00	34772.00	49043.00	37164.00	33669.00	34846.00	37447.00	53612.00	1.00	74994.00	55230.00	56668.00	48445.00	59077.00	38495.00	51467.00	40496.00	48671.00
C23 H46 N9 O2	19083.00	55262.00	64355.00	32386.00	37406.00	28073.00	62117.00	40544.00	61413.00	33388.00	41303.00	39405.00	52071.00	52477.00	56110.00	40042.00	12207.00	78732.00	51378.00	59672.00	44995.00	46218.00	43316.00	46363.00	62058.00	57324.00	79117.00	37323.00	53810.00	86150.00
C49 H94 O11	45400.00	42791.00	48705.00	39844.00	46911.00	57791.00	46897.00	48779.00	62108.00	49493.00	39850.00	20305.00	47609.00	46538.00	36113.00	41944.00	21511.00	42067.00	54653.00	39575.00	38470.00	68288.00	42491.00	48346.00	39259.00	51713.00	40990.00	31117.00	37810.00	32389.00
C6 H6 N4 O Esi-2.8349993	168502.00	109490.00	103706.00	158490.00	111731.00	128103.00	147069.00	129832.00	100998.00	151481.00	241059.00	110506.00	141271.00	174664.00	141899.00	114557.00	119273.00	104656.00	145504.00	110727.00	196672.00	124797.00	108625.00	158087.00	114984.00	54725.00	119915.00	122659.00	186565.00	115813.00
C12 H22 O4	1.00	31774.00	14969.00	1.00	1.00	15024.00	10962.00	1.00	1.00	15181.00	1.00	1.00	31309.00	12124.00	12883.00	11503.00	1.00	13820.00	21969.00	1.00	67079.00	1.00	1.00	1.00	16265.00	10564.00	1.00	11212.00	1.00	25091.00
C4 H4 N3 O4 Esi-5.8077493	1.00	39774.00	34169.00	37077.00	26949.00	29683.00	34353.00	230936.00	42197.00	1.00	25977.00	1.00	131536.00	106994.00	159415.00	58794.00	43523.00	72732.00	1.00	116684.00	62246.00	117771.00	1.00	44801.00	30003.00	1.00	23907.00	65308.00	38286.00	60471.00
C5 H4 O2 Esi-2.8349993	104753.00	64387.00	62235.00	96237.00	30268.00	37372.00	90556.00	80505.00	61255.00	91589.00	141249.00	64758.00	90237.00	105955.00	84451.00	72026.00	77570.00	30587.00	88541.00	64791.00	59875.00	73434.00	66388.00	99871.00	73227.00	66953.00	71301.00	79676.00	122097.00	72831.00
C29 H61 N22 O2	27365.00	37538.00	71916.00	17212.00	30762.00	42781.00	53376.00	44004.00	49889.00	44398.00	12146.00	37669.00	16323.00	25578.00	28784.00	54322.00	39495.00	62117.00	27680.00	44657.00	60572.00	23021.00	31654.00	49318.00	29239.00	35407.00	15192.00	31752.00	42752.00	24258.00
C23 H6 N2 O S Esi-1.059	20409.00	1.00	45640.00	32271.00	1.00	35575.00	18492.00	32899.00	1.00	24741.00	23986.00	29146.00	1.00	20336.00	1.00	25493.00	29170.00	24481.00	1.00	1.00	23659.00	20943.00	41430.00	1.00	26644.00	14870.00	13032.00	20618.00	27016.00	30393.00
C25 H46 N3 O4	16960.00	20011.00	53290.00	16672.00	29443.00	27972.00	30084.00	28711.00	34621.00	9803.00	16871.00	36157.00	39839.00	36034.00	42222.00	35198.00	11007.00	43063.00	40971.00	23879.00	22371.00	19316.00	30314.00	34012.00	48020.00	64262.00	51901.00	59795.00	41375.00	54633.00
C4 H6 N6 O4	75942.00	77622.00	95566.00	1.00	81858.00	1.00	1.00	45940.00	108456.00	69947.00	1.00	82418.00	50355.00	69265.00	1.00	50704.00	1.00	1.00	87824.00	78747.00	1.00	1.00	88485.00	99237.00	91791.00	1.00	1.00	98797.00	1.00	1.00
C14 H24 N3 O2 S	93456.00	62655.00	35749.00	90974.00	70664.00	71246.00	82331.00	38351.00	70885.00	91645.00	120119.00	72570.00	87022.00	97102.00	78618.00	30738.00	72091.00	28758.00	80636.00	63028.00	109715.00	73824.00	62600.00	88465.00	72503.00	66609.00	64215.00	71136.00	103907.00	69605.00
C29 H18 N15 O7	1.00	1.00	14709.00	12473.00	13035.00	19516.00	13857.00	17395.00	1.00	10107.00	1.00	10099.00	1.00	1.00	12347.00	9378.00	18431.00	9053.00	22605.00	1.00	11693.00	28429.00	13936.00	1.00	1.00	15512.00	8760.00	19030.00	1.00	9759.00
C8 H10 N2 O3 Esi-2.8389997	228171.00	140963.00	138113.00	207899.00	144720.00	166524.00	70649.00	165339.00	135464.00	197271.00	303867.00	137690.00	178022.00	230017.00	178263.00	152596.00	161969.00	138684.00	189875.00	134178.00	252834.00	156615.00	144309.00	60885.00	148056.00	144521.00	153759.00	160267.00	244007.00	148182.00
C10 H14 N O5 S	32821.00	21852.00	29301.00	26118.00	20133.00	37944.00	36796.00	22395.00	1.00	18002.00	54615.00	40610.00	19585.00	24006.00	32297.00	19521.00	29788.00	20573.00	1.00	21471.00	30901.00	24021.00	30818.00	24006.00	18775.00	29662.00	17043.00	24072.00	40271.00	45595.00
C6 H2 O6 S	22376.00	41590.00	22203.00	26617.00	38399.00	40732.00	15430.00	1.00	12874.00	13540.00	1.00	1.00	23378.00	59355.00	17772.00	20951.00	1.00	1.00	23211.00	41027.00	1.00	39428.00	1.00	1.00	1.00	23851.00	1.00	17962.00	16344.00	1.00
C4 H2 O3 S2 Esi-0.9260001	35111.00	32227.00	83102.00	1.00	38543.00	38277.00	93240.00	52391.00	58253.00	37608.00	36452.00	39525.00	45336.00	49130.00	112966.00	53196.00	40776.00	1.00	50317.00	78721.00	62691.00	42796.00	77948.00	33769.00	34300.00	31238.00	44658.00	43282.00	41794.00	56764.00
C18 H18 N3 O10	53185.00	31858.00	32912.00	46656.00	31914.00	36468.00	50844.00	47956.00	1.00	67691.00	62639.00	1.00	36540.00	56133.00	43503.00	1.00	34895.00	1.00	33807.00	30457.00	48769.00	39440.00	1.00	36188.00	1.00	27754.00	30767.00	44434.00	70758.00	1.00
C7 H4 N2 O4 Esi-1.2260001	56167.00	64345.00	55161.00	53153.00	36431.00	36716.00	50172.00	42998.00	61644.00	59612.00	67445.00	50836.00	56263.00	68712.00	39887.00	68849.00	47008.00	70061.00	41177.00	64822.00	50677.00	34560.00	51637.00	60022.00	56829.00	39121.00	60769.00	43406.00	56651.00	59083.00
C17 H18 N12 O	28907.00	27051.00	24121.00	29765.00	28283.00	28997.00	29469.00	32697.00	31962.00	41091.00	35980.00	32347.00	33470.00	22944.00	29479.00	39980.00	60032.00	27181.00	39030.00	26280.00	30853.00	24382.00	36816.00	29441.00	25689.00	35026.00	28946.00	30282.00	49028.00	33413.00
C7 H8 O S	60732.00	52952.00	94836.00	59732.00	66802.00	60230.00	52244.00	59254.00	82067.00	73996.00	57293.00	73515.00	45096.00	39159.00	78973.00	82954.00	48905.00	110915.00	58215.00	91436.00	54346.00	22834.00	81070.00	21653.00	17518.00	53990.00	55968.00	92133.00	40279.00	118187.00
C3 H5 N2 O4	1.00	43487.00	39764.00	26281.00	30307.00	28258.00	28437.00	1.00	27429.00	36664.00	1.00	20649.00	1.00	1.00	41707.00	1.00	28283.00	26684.00	1.00	35557.00	1.00	39802.00	30631.00	1.00	21669.00	36337.00	20998.00	45777.00	1.00	1.00
C6 H13 N O9 Esi-2.8249998 :1	368785.00	228683.00	244695.00	356153.00	228313.00	269902.00	320222.00	264413.00	254061.00	321325.00	471676.00	254844.00	312224.00	331658.00	297794.00	254317.00	254947.00	257981.00	299309.00	221828.00	411733.00	276377.00	266461.00	321267.00	241955.00	233646.00	277949.00	262993.00	409207.00	267564.00
C17 H28 N6 O15	1.00	1.00	39758.00	1.00	41495.00	1.00	39505.00	56196.00	1.00	65262.00	1.00	1.00	1.00	47168.00	1.00	1.00	1.00	1.00	1.00	37445.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	49439.00	45429.00	1.00
C4 H2 N3 S3	34523.00	24864.00	27312.00	42239.00	1.00	32330.00	30853.00	1.00	15157.00	32292.00	1.00	36577.00	20346.00	1.00	1.00	1.00	50752.00	22809.00	1.00	41509.00	37270.00	1.00	33460.00	90580.00	58290.00	39879.00	36962.00	1.00	1.00	45536.00
C6 H8 Cl Esi-5.222	144546.00	163373.00	147849.00	141381.00	219656.00	129410.00	153322.00	172744.00	171907.00	164971.00	108288.00	134451.00	219912.00	151204.00	170540.00	225932.00	124451.00	149579.00	228380.00	134072.00	143496.00	227944.00	148937.00	166541.00	136592.00	124337.00	179243.00	140421.00	147965.00	169231.00
C7 H6 O6 S	72344.00	1.00	14743.00	1.00	1.00	11188.00	1.00	16783.00	1.00	1.00	31532.00	1.00	1.00	53586.00	14875.00	1.00	1.00	1.00	16019.00	1.00	1.00	1.00	1.00	1.00	14289.00	1.00	1.00	1.00	1.00	1.00
C22 H44 N6 O2	27010.00	47352.00	89311.00	33825.00	49248.00	40363.00	82389.00	49776.00	81767.00	1.00	46352.00	52721.00	61280.00	73059.00	81923.00	47041.00	1.00	122032.00	54713.00	36746.00	55148.00	66210.00	64357.00	64923.00	89012.00	98150.00	108158.00	53164.00	80078.00	109734.00
C4 H4 N3 O7	55384.00	36583.00	44858.00	34252.00	33908.00	31056.00	34287.00	38178.00	39161.00	36412.00	31068.00	32576.00	21374.00	23668.00	40918.00	43280.00	27884.00	50284.00	29656.00	35713.00	28116.00	29145.00	40004.00	42708.00	38437.00	33607.00	30581.00	42996.00	33933.00	51867.00
C8 H10 N2 O8	60292.00	41897.00	35167.00	56619.00	39400.00	42173.00	73872.00	48013.00	29426.00	75085.00	53538.00	32016.00	29477.00	63711.00	66648.00	82590.00	50211.00	32794.00	53913.00	36998.00	54114.00	75349.00	32928.00	38254.00	60444.00	41864.00	63739.00	47107.00	68852.00	38736.00
C42 H63 N10 O2	23414.00	10294.00	26838.00	27272.00	29084.00	14278.00	1.00	28988.00	36340.00	38057.00	18940.00	26468.00	34482.00	30559.00	28984.00	18993.00	44748.00	37449.00	42085.00	66058.00	1.00	10547.00	22950.00	23707.00	24513.00	13036.00	21795.00	22206.00	17280.00	27068.00
C32 H65 N7 O7	19539.00	15463.00	37617.00	15825.00	16963.00	13897.00	41316.00	23301.00	45894.00	1.00	21464.00	21307.00	15784.00	32747.00	31172.00	46120.00	8896.00	43424.00	9412.00	24340.00	32456.00	23050.00	42306.00	26187.00	50598.00	65188.00	30650.00	9506.00	30228.00	23290.00
C8 O5	108858.00	46062.00	57355.00	77703.00	64038.00	64797.00	52200.00	65406.00	76753.00	27243.00	61280.00	78036.00	73125.00	49954.00	70723.00	78196.00	82580.00	88117.00	59069.00	69916.00	87484.00	80980.00	72671.00	71857.00	55718.00	63147.00	67766.00	58532.00	71700.00	64479.00
C16 H32 O2	21314.00	39072.00	36486.00	37292.00	33956.00	39984.00	35878.00	36809.00	40485.00	26537.00	19469.00	47623.00	43880.00	34035.00	37471.00	27289.00	22402.00	32582.00	57739.00	50272.00	32151.00	29243.00	26104.00	38058.00	31289.00	33320.00	22753.00	43416.00	29579.00	48153.00
C4 H5 N4 O4	29211.00	25828.00	54885.00	27560.00	64292.00	38715.00	46751.00	33495.00	38496.00	55925.00	1.00	1.00	37430.00	33118.00	22334.00	27733.00	37119.00	43766.00	50845.00	29289.00	42725.00	31546.00	33693.00	29448.00	25102.00	35959.00	42636.00	45149.00	34233.00	39055.00
C4 H5 Cl N O Esi-5.3179994	54044.00	47327.00	43949.00	94956.00	131295.00	28836.00	218808.00	56070.00	53700.00	47907.00	68569.00	128449.00	74101.00	233871.00	75670.00	118342.00	51512.00	56216.00	145482.00	35772.00	153138.00	1.00	243627.00	157538.00	63336.00	61646.00	49455.00	48875.00	34699.00	35319.00
C3 H5 N5 O3 Esi-4.1050005	111507.00	186049.00	54616.00	51108.00	118099.00	1.00	1.00	183966.00	267987.00	17314.00	191869.00	182395.00	222802.00	1.00	1.00	1.00	1.00	172752.00	1.00	1.00	219206.00	1.00	169683.00	177341.00	1.00	1.00	387361.00	45862.00	110284.00	1.00
C9 H4 O3 Esi-2.551	1.00	1.00	181577.00	41029.00	1.00	21603.00	22540.00	242840.00	1.00	200394.00	1.00	32004.00	1.00	1.00	11718.00	28179.00	1.00	31133.00	32337.00	1.00	1.00	56401.00	1.00	21084.00	1.00	33170.00	1.00	76503.00	72093.00	20026.00
C28 H50 N12	16813.00	35875.00	44848.00	18260.00	24866.00	13917.00	58197.00	31086.00	40873.00	12734.00	28559.00	21615.00	24779.00	27100.00	36695.00	36097.00	10363.00	68892.00	31302.00	32013.00	50991.00	42440.00	32678.00	34821.00	42542.00	47636.00	48768.00	25049.00	35809.00	38726.00
C11 H20 O9	27295.00	1.00	23605.00	38446.00	1.00	26828.00	36036.00	1.00	1.00	28097.00	46490.00	21688.00	30853.00	38599.00	33529.00	1.00	25973.00	28673.00	21489.00	29636.00	63400.00	22488.00	28596.00	30828.00	25846.00	26815.00	21296.00	26347.00	43868.00	28291.00
C7 H8 N4 O3 Esi-1.9230002	44699.00	1.00	56774.00	1.00	1.00	1.00	1.00	1.00	70545.00	26923.00	1.00	1.00	1.00	1.00	1.00	26601.00	1.00	55315.00	23373.00	72809.00	1.00	1.00	18555.00	1.00	1.00	1.00	1.00	30304.00	1.00	20803.00
C26 H50 N6 O4	1.00	17755.00	38751.00	1.00	18948.00	1.00	29111.00	21985.00	22158.00	1.00	20373.00	16824.00	27954.00	29974.00	32405.00	18767.00	1.00	52552.00	18388.00	1.00	24059.00	22544.00	29319.00	19590.00	40271.00	30806.00	50695.00	19221.00	27098.00	46446.00
C24 H46 N6 O4	1.00	1.00	43363.00	1.00	15298.00	1.00	29159.00	20490.00	24055.00	1.00	14578.00	16047.00	27313.00	29096.00	27565.00	19748.00	1.00	52386.00	17487.00	1.00	26626.00	17034.00	29294.00	22449.00	37991.00	41933.00	50898.00	18704.00	32408.00	49660.00
C5 H2 O7 S	61236.00	77703.00	76517.00	80302.00	75943.00	72714.00	90062.00	90297.00	66641.00	95417.00	72730.00	55723.00	44460.00	75900.00	65257.00	77305.00	71138.00	53667.00	52174.00	75578.00	74933.00	77470.00	61584.00	61828.00	56152.00	67375.00	70636.00	80149.00	91647.00	58564.00
C4 H6 N4 O3	66592.00	29364.00	48903.00	28889.00	41559.00	37200.00	20653.00	32733.00	32961.00	37495.00	57810.00	38354.00	48345.00	87722.00	33434.00	30010.00	37998.00	42316.00	48627.00	59407.00	21534.00	34744.00	27118.00	41631.00	43787.00	35408.00	25760.00	25910.00	33669.00	44943.00
C5 H3 Cl N O4	1.00	1.00	85965.00	90097.00	1.00	1.00	100780.00	1.00	99940.00	1.00	1.00	85770.00	91475.00	96350.00	85947.00	82176.00	1.00	1.00	1.00	101726.00	1.00	106053.00	1.00	1.00	1.00	1.00	88329.00	101543.00	1.00	1.00
C4 H2 O3 S2 Esi-1.2670001	38658.00	13196.00	19712.00	38696.00	41460.00	33934.00	47501.00	60705.00	14156.00	70802.00	52566.00	54977.00	1.00	36420.00	51132.00	41880.00	49813.00	16969.00	50238.00	1.00	64959.00	52558.00	63727.00	73522.00	53425.00	1.00	1.00	33851.00	45327.00	55904.00
C37 H75 N2 O9 S	17352.00	19406.00	59004.00	15433.00	35287.00	41211.00	36273.00	46602.00	37998.00	50678.00	1.00	32145.00	14340.00	15502.00	18655.00	40331.00	18024.00	44491.00	21454.00	31742.00	46313.00	20930.00	26716.00	37122.00	20427.00	27963.00	1.00	19733.00	28290.00	22242.00
C8 H8 N2 O7	62820.00	92614.00	85181.00	61175.00	41513.00	65137.00	107665.00	51946.00	34448.00	80855.00	41230.00	37319.00	30060.00	53177.00	78957.00	47870.00	113678.00	37460.00	64204.00	97603.00	59649.00	45547.00	36222.00	42045.00	43687.00	45646.00	98201.00	113481.00	77865.00	37639.00
C7 H6 N O4	1.00	1.00	11437.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	20001.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13504.00	14745.00	1.00	1.00	1.00	10591.00
C5 H2 N4 O3 Esi-1.4259999	56342.00	30335.00	47548.00	30082.00	25995.00	22927.00	28747.00	26985.00	36032.00	33248.00	28774.00	33120.00	19549.00	21787.00	34451.00	40152.00	24041.00	47345.00	22383.00	40763.00	24420.00	55724.00	31953.00	42784.00	35876.00	21516.00	28468.00	35249.00	24480.00	55876.00
C24 H39 N14 O11	43378.00	21540.00	36713.00	59376.00	46106.00	40408.00	35881.00	45287.00	36681.00	48662.00	47637.00	46074.00	37906.00	46018.00	34203.00	54296.00	59108.00	33898.00	56211.00	44067.00	46915.00	40312.00	53329.00	46722.00	34204.00	40824.00	38372.00	49440.00	54495.00	53128.00
C16 H4 O19	1.00	1.00	54348.00	1.00	23448.00	23139.00	10903.00	1.00	16750.00	1.00	1.00	12946.00	26452.00	1.00	45364.00	1.00	15024.00	19100.00	1.00	1.00	1.00	12813.00	20224.00	12706.00	21537.00	1.00	34955.00	13680.00	17793.00	15382.00
C17 H28 O3 S Esi-1.0669998 :1	78533.00	45015.00	98390.00	92954.00	80566.00	38842.00	87566.00	77580.00	95401.00	76247.00	60221.00	99619.00	85502.00	87008.00	95195.00	78799.00	22709.00	116530.00	145240.00	114740.00	81983.00	83040.00	67449.00	87957.00	76806.00	97185.00	85865.00	128105.00	96393.00	112551.00
C32 H56 N3 O3	10390.00	52567.00	46630.00	23320.00	35306.00	16020.00	80076.00	25129.00	55618.00	19868.00	58854.00	32004.00	19385.00	31234.00	46301.00	31876.00	15220.00	82787.00	41649.00	48366.00	39659.00	73706.00	28468.00	47351.00	37788.00	41442.00	58313.00	35155.00	44031.00	42470.00
C20 H22 N O24	1.00	11616.00	10568.00	1.00	1.00	13071.00	1.00	1.00	1.00	9693.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C5 H2 Cl O2 S	45422.00	62168.00	42131.00	40920.00	38613.00	30743.00	39884.00	43774.00	41577.00	57875.00	49838.00	54778.00	36701.00	44078.00	61685.00	63702.00	60043.00	46497.00	39999.00	54874.00	51700.00	60043.00	39655.00	42809.00	54066.00	44948.00	43688.00	40137.00	45789.00	39800.00
C9 H10 O4 S	1.00	1.00	11434.00	1.00	1.00	1.00	1.00	1.00	1.00	12270.00	1.00	1.00	1.00	1.00	1.00	27202.00	1.00	1.00	1.00	59188.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	24718.00
C17 H8 O3 Esi-2.657	155137.00	211395.00	104725.00	151506.00	115025.00	169451.00	198889.00	261244.00	96907.00	203516.00	133761.00	177596.00	107219.00	177284.00	181658.00	73315.00	207599.00	195473.00	157026.00	216440.00	148706.00	175334.00	195941.00	146871.00	205693.00	221930.00	177110.00	266264.00	197147.00	193806.00
C13 H9 N7 O6 S2	35540.00	1.00	24480.00	1.00	1.00	1.00	1.00	46684.00	1.00	13005.00	22983.00	1.00	1.00	9712.00	14447.00	1.00	11663.00	10620.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C3 H2 N4 S Esi-2.0940008	224236.00	111530.00	126464.00	98342.00	93609.00	136289.00	98301.00	91522.00	226227.00	66009.00	170215.00	97063.00	157225.00	115037.00	190507.00	131882.00	102839.00	131314.00	108791.00	182741.00	68056.00	93173.00	83208.00	100329.00	109389.00	118703.00	107235.00	101414.00	84468.00	113101.00
C5 H8 N4 O6 Esi-2.7089999	125986.00	92174.00	52422.00	116547.00	102915.00	105497.00	115315.00	108620.00	91651.00	118977.00	154735.00	92715.00	106488.00	132404.00	119571.00	105059.00	108868.00	94229.00	124235.00	97346.00	147135.00	109149.00	97685.00	131032.00	103581.00	104048.00	102654.00	113060.00	141621.00	101095.00
C31 H46 N7	13315.00	28741.00	42874.00	22161.00	25818.00	15695.00	43851.00	29587.00	38689.00	1.00	30407.00	23586.00	30461.00	39446.00	37940.00	25549.00	1.00	62309.00	28106.00	25162.00	36593.00	36558.00	32268.00	31016.00	42199.00	31121.00	61352.00	25087.00	36191.00	61065.00
C42 H20 N6 O3	24909.00	13746.00	32938.00	24492.00	12127.00	18735.00	15857.00	16402.00	15861.00	22228.00	13471.00	26058.00	23901.00	13121.00	1.00	20809.00	13511.00	18380.00	14495.00	17093.00	18771.00	1.00	18862.00	1.00	18458.00	15486.00	16004.00	14709.00	22561.00	20000.00
C19 H10 N5 O4	50345.00	49156.00	98335.00	70176.00	44667.00	74570.00	63247.00	67476.00	50659.00	33902.00	56843.00	73276.00	44223.00	45681.00	46795.00	71533.00	60379.00	68855.00	60240.00	55180.00	69238.00	62126.00	90662.00	43013.00	109815.00	62318.00	57373.00	75641.00	75562.00	74959.00
C6 H6 N3 O4	178062.00	47647.00	60280.00	81946.00	103682.00	62155.00	66807.00	105724.00	153038.00	179180.00	95331.00	75719.00	94952.00	92097.00	172581.00	215889.00	47344.00	228681.00	67754.00	136238.00	79390.00	36012.00	91705.00	142686.00	137549.00	120273.00	119309.00	87699.00	123317.00	238163.00
C16 H34 N3 O	26057.00	42313.00	43042.00	46073.00	39628.00	47827.00	44157.00	36523.00	39630.00	35991.00	24993.00	34984.00	35611.00	35267.00	36856.00	31191.00	26249.00	44016.00	52854.00	39537.00	35814.00	32993.00	24407.00	31429.00	23371.00	30214.00	23829.00	40520.00	30499.00	41829.00
C16 H30 O4	1.00	13079.00	10492.00	1.00	14828.00	9473.00	11662.00	1.00	1.00	1.00	1.00	1.00	34344.00	9296.00	1.00	1.00	1.00	1.00	24913.00	1.00	1.00	1.00	1.00	9416.00	11546.00	9140.00	1.00	13450.00	1.00	51309.00
C16 H28 N3 O2 S Esi-2.048	43852.00	38062.00	53312.00	43125.00	47352.00	44630.00	33502.00	38001.00	47170.00	41671.00	46827.00	48488.00	42292.00	33312.00	49669.00	47914.00	53754.00	50817.00	43150.00	49606.00	48772.00	49369.00	56706.00	40311.00	42604.00	38226.00	42848.00	37238.00	34582.00	48077.00
C41 H86 N10 O5 S	22516.00	44089.00	35474.00	23471.00	22454.00	21555.00	48200.00	30565.00	51882.00	22917.00	18433.00	13762.00	16161.00	22158.00	23502.00	18671.00	22921.00	43346.00	25280.00	21616.00	22356.00	26791.00	20641.00	29377.00	19219.00	21212.00	23023.00	22266.00	20324.00	16330.00
C14 H N S2 Esi-1.059	52503.00	70357.00	51762.00	56776.00	72731.00	116711.00	60343.00	46893.00	61243.00	6945.00	46435.00	65244.00	63051.00	52766.00	55721.00	60698.00	17000.00	39933.00	54479.00	61489.00	55883.00	44280.00	37038.00	42019.00	52204.00	35539.00	43756.00	79628.00	46515.00	49772.00
C28 H9 N9 O21 Esi-5.276375	1.00	1.00	106621.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	22624.00	1.00	17565.00	1.00	20077.00	1.00	22411.00	19018.00	42784.00	24054.00	1.00	1.00	1.00
C6 H O8 S Esi-1.0599996 :1	72195.00	147925.00	77483.00	61708.00	150184.00	81725.00	104482.00	111961.00	120357.00	108125.00	100004.00	84791.00	72772.00	103226.00	188935.00	107206.00	58689.00	131823.00	147745.00	109235.00	65805.00	122124.00	110283.00	169451.00	135981.00	159686.00	161266.00	136123.00	177323.00	114289.00
C23 H4 N O25 S	40259.00	50509.00	48439.00	56545.00	58534.00	59237.00	52787.00	40642.00	44436.00	44079.00	39250.00	43407.00	40760.00	45801.00	43746.00	41650.00	51719.00	63481.00	46642.00	44115.00	61124.00	45219.00	44815.00	44312.00	38942.00	65309.00	46963.00	52772.00	40193.00	41667.00
C47 H80 N14 O	40871.00	32415.00	47895.00	38524.00	46821.00	45433.00	39683.00	50650.00	59589.00	43341.00	28563.00	16310.00	36306.00	38785.00	32991.00	38984.00	20099.00	47642.00	58112.00	31964.00	34891.00	50685.00	35771.00	38711.00	28832.00	38250.00	41240.00	31112.00	30208.00	27872.00
C31 H69 N25 O3	38177.00	44964.00	59974.00	28426.00	32939.00	39943.00	47085.00	31898.00	53392.00	35201.00	23603.00	31177.00	38494.00	34661.00	30040.00	41240.00	25904.00	42625.00	35308.00	30063.00	48873.00	28785.00	27632.00	42844.00	32185.00	31761.00	38051.00	36782.00	41687.00	20683.00
C30 H24 N4 O30 S2 Esi-2.6510007	685704.00	512457.00	93644.00	209119.00	101604.00	1.00	1.00	1.00	412921.00	93235.00	1.00	447013.00	483051.00	216185.00	206657.00	112193.00	56834.00	1.00	1.00	25570.00	284593.00	1.00	39149.00	167337.00	78283.00	199539.00	285110.00	57878.00	61481.00	212188.00
C20 H34 N3 O	1.00	1.00	18810.00	28994.00	23702.00	22995.00	21867.00	20811.00	24240.00	1.00	1.00	25902.00	23036.00	19747.00	20116.00	17362.00	1.00	10088.00	53472.00	22682.00	22457.00	1.00	16177.00	20529.00	1.00	20932.00	1.00	27758.00	20433.00	28350.00
C4 H6 N3 O4 Esi-5.2300005	318914.00	226817.00	215019.00	294855.00	150515.00	211295.00	299960.00	204600.00	345188.00	316649.00	1.00	305248.00	356911.00	302224.00	244501.00	364290.00	295962.00	219501.00	191738.00	307672.00	303495.00	369151.00	211586.00	323198.00	287519.00	273606.00	1.00	196886.00	273838.00	166398.00
C8 H6 N6 S	1.00	53679.00	59113.00	30383.00	82798.00	1.00	78365.00	149154.00	66657.00	188885.00	80598.00	14285.00	1.00	65564.00	1.00	54822.00	167185.00	19831.00	1.00	1.00	12879.00	69143.00	27099.00	1.00	1.00	21808.00	16914.00	79629.00	106400.00	1.00
C36 H64 N3 S	12214.00	25925.00	21740.00	1.00	12857.00	1.00	33239.00	18908.00	44591.00	1.00	1.00	20756.00	20246.00	15625.00	25797.00	63037.00	1.00	29406.00	15928.00	19398.00	17581.00	20636.00	21596.00	19301.00	43237.00	42613.00	27546.00	16423.00	25547.00	28471.00
C10 H14 N4 O3	277631.00	485141.00	171000.00	358608.00	705635.00	586213.00	340120.00	69047.00	155401.00	185249.00	52453.00	117041.00	225701.00	786622.00	222279.00	146976.00	60086.00	80684.00	368801.00	235785.00	169551.00	598330.00	96029.00	107644.00	75331.00	399666.00	73691.00	441883.00	417697.00	174162.00
C7 H3 N3 O7	77446.00	58828.00	66849.00	52905.00	52284.00	59512.00	53231.00	61285.00	60495.00	61285.00	52704.00	60764.00	41767.00	53345.00	64883.00	67359.00	52694.00	73600.00	45066.00	72766.00	49878.00	52654.00	56607.00	68947.00	60633.00	58042.00	48807.00	58756.00	46696.00	75470.00
C8 H7 N O5	21731.00	23241.00	31455.00	27567.00	19144.00	36106.00	9406.00	10495.00	35773.00	44900.00	27801.00	46350.00	43516.00	15491.00	29304.00	31831.00	53431.00	26579.00	42280.00	23781.00	34026.00	31580.00	38354.00	44871.00	37989.00	51647.00	38583.00	26158.00	33451.00	31071.00
C9 H2 N4	1.00	21725.00	18806.00	12472.00	22341.00	1.00	14102.00	18401.00	17452.00	1.00	20950.00	30391.00	15021.00	28699.00	30846.00	17676.00	1.00	31730.00	39572.00	36870.00	30943.00	35374.00	18693.00	26636.00	39474.00	24158.00	23140.00	33967.00	37721.00	54837.00
C28 H9 N9 O21 Esi-5.7690005	1.00	71937.00	25643.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	34262.00	1.00	18621.00	1.00	1.00	11976.00	1.00	1.00	1.00	1.00	1.00	50609.00	1.00	1.00	1.00	1.00
C45 H11 N9	1.00	1.00	10397.00	9473.00	1.00	9655.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	8732.00	1.00	9878.00
C6 H8 N2 O10	80963.00	70605.00	79232.00	64309.00	44900.00	66918.00	73946.00	47291.00	70897.00	79843.00	68282.00	48220.00	52314.00	54966.00	82993.00	81369.00	71584.00	80366.00	66423.00	81774.00	72710.00	53329.00	80031.00	77071.00	77150.00	63035.00	76615.00	77333.00	66822.00	89976.00
C30 H6 N2 O7	1.00	1.00	12521.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C22 H40 N12	15767.00	34397.00	49844.00	23461.00	24295.00	20353.00	50055.00	33569.00	45500.00	14423.00	42655.00	31602.00	34380.00	44636.00	50488.00	30503.00	1.00	57506.00	30267.00	29893.00	36062.00	36506.00	34540.00	39557.00	44577.00	31258.00	58747.00	31385.00	43339.00	63392.00
C18 H24 N4 O20	1.00	1.00	13826.00	10789.00	13390.00	18800.00	14113.00	15428.00	1.00	1.00	1.00	1.00	1.00	1.00	15665.00	1.00	14618.00	1.00	20616.00	1.00	11489.00	15003.00	13142.00	1.00	1.00	12587.00	1.00	21802.00	1.00	9605.00
C42 H12 N12 O10	1.00	11689.00	12874.00	1.00	1.00	12619.00	10508.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9923.00	1.00	1.00	1.00	1.00	1.00	9412.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C6 H8 Cl Esi-4.543999	114039.00	130067.00	78952.00	36380.00	59688.00	198768.00	186851.00	85388.00	385499.00	88823.00	40970.00	60294.00	279933.00	121927.00	105860.00	1.00	247849.00	255503.00	275959.00	88495.00	209649.00	1.00	60605.00	110733.00	71989.00	53458.00	30663.00	72307.00	201418.00	275611.00
C39 H26 N23 S2	9711.00	1.00	15187.00	9770.00	1.00	10068.00	8856.00	11095.00	10857.00	13110.00	9611.00	12305.00	10224.00	1.00	1.00	1.00	1.00	10785.00	1.00	9756.00	9013.00	1.00	10536.00	1.00	9307.00	1.00	1.00	9269.00	1.00	10638.00
C29 H59 N22 O3	33361.00	1.00	28832.00	39114.00	33193.00	18517.00	1.00	16677.00	35199.00	40005.00	31336.00	30747.00	49064.00	55613.00	48829.00	18148.00	19844.00	37308.00	52835.00	37311.00	1.00	13121.00	35499.00	18908.00	20825.00	14105.00	25217.00	22851.00	28752.00	39157.00
C27 H13 N5 O25	1.00	15535.00	17656.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	59964.00	21074.00	1.00	1.00	1.00	1.00	1.00	61946.00	1.00	1.00	20674.00	1.00	1.00	1.00	1.00	1.00	1.00
C30 H54 N9 O2	11147.00	32739.00	37320.00	17512.00	26659.00	10958.00	54009.00	24911.00	42196.00	11640.00	25221.00	23097.00	19744.00	22592.00	35024.00	35248.00	1.00	61984.00	26111.00	39762.00	44553.00	38059.00	27698.00	28058.00	36310.00	38144.00	32466.00	22395.00	31735.00	35020.00
C6 H14 N3 S3 Esi-1.1240002 :1	35411.00	34862.00	70262.00	47552.00	38101.00	64204.00	56239.00	57409.00	41655.00	46881.00	41459.00	46650.00	33044.00	38431.00	37168.00	54064.00	58866.00	36608.00	47260.00	32779.00	46148.00	48272.00	66939.00	38792.00	50545.00	50440.00	40353.00	52945.00	43655.00	48031.00
C45 H30 N10 O2 S2	10060.00	1.00	17007.00	11301.00	1.00	11893.00	10118.00	11254.00	11202.00	14027.00	10074.00	13443.00	9747.00	1.00	1.00	1.00	1.00	10772.00	9404.00	10438.00	1.00	1.00	10798.00	1.00	10240.00	9493.00	10113.00	10058.00	1.00	11543.00
C5 H12 O5	75550.00	48493.00	31680.00	26886.00	35316.00	40325.00	41888.00	63973.00	40453.00	42173.00	51328.00	36736.00	40754.00	36703.00	46703.00	51415.00	58550.00	43601.00	32138.00	77915.00	44604.00	37112.00	32353.00	45538.00	31669.00	57617.00	31555.00	24349.00	31146.00	36217.00
C32 H20 N6 O29 S Esi-6.69	121860.00	1.00	30616.00	1.00	1.00	243154.00	36201.00	28266.00	110534.00	135657.00	1.00	1.00	1.00	29150.00	33056.00	1.00	1.00	1.00	1.00	10245.00	43462.00	1.00	1.00	21905.00	1.00	42150.00	1.00	1.00	1.00	1.00
C5 H13 N5 O6	47482.00	48469.00	45734.00	46811.00	46470.00	45721.00	48037.00	44967.00	45531.00	46432.00	47338.00	45073.00	47689.00	48905.00	51180.00	51712.00	49756.00	50598.00	50880.00	50316.00	47428.00	43680.00	48741.00	46864.00	50015.00	50071.00	47521.00	49335.00	44748.00	52336.00
C28 H9 N9 O21 Esi-3.6510007	1.00	526467.00	54021.00	1.00	1.00	56265.00	1.00	1.00	159311.00	164046.00	43464.00	1.00	46438.00	1.00	58790.00	1.00	1.00	1.00	149977.00	1.00	1.00	136649.00	1.00	1.00	1.00	125936.00	1.00	1.00	1.00	1.00
C5 H O4 S	518572.00	38548.00	882686.00	241791.00	544375.00	430981.00	364544.00	765872.00	91466.00	290381.00	50570.00	59038.00	53834.00	93857.00	226371.00	1.00	289359.00	98873.00	707132.00	58610.00	51751.00	1.00	735147.00	64553.00	364695.00	277285.00	49270.00	154988.00	262344.00	451301.00
C18 H30 O3 S Esi-2.5579994	26963.00	28305.00	31902.00	19789.00	25768.00	25973.00	27094.00	26603.00	33976.00	25046.00	28768.00	31349.00	34120.00	22751.00	28638.00	29003.00	31433.00	32139.00	23580.00	27959.00	25610.00	29616.00	35797.00	23880.00	25666.00	27839.00	19644.00	21410.00	30839.00	31141.00
C28 H9 N9 O21 Esi-10.334	1.00	37506.00	47912.00	1.00	1.00	27859.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	19224.00	43487.00	1.00	25555.00	1.00	1.00	1.00	10909.00	1.00	12918.00	1.00	44413.00	1.00	21883.00	17819.00	1.00
C21 H30 N4 O22	1.00	1.00	9734.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C6 H12 N3 O3 S Esi-2.653	367765.00	520661.00	202438.00	349721.00	234927.00	378887.00	465217.00	300197.00	178908.00	324971.00	352024.00	196476.00	286828.00	413968.00	438184.00	246968.00	615851.00	198061.00	362130.00	533605.00	346471.00	395081.00	206391.00	324953.00	489385.00	551904.00	399269.00	485146.00	456732.00	453114.00
C39 H73 N9 O	19873.00	30049.00	17202.00	21191.00	14467.00	19092.00	23090.00	29235.00	24583.00	54009.00	11837.00	24320.00	33657.00	17606.00	12597.00	14841.00	24284.00	23344.00	20405.00	26176.00	13572.00	18551.00	17616.00	15666.00	14489.00	15476.00	9804.00	31804.00	22519.00	14871.00
C8 H6 S	89927.00	111276.00	113583.00	92332.00	114925.00	96053.00	127491.00	141525.00	80024.00	152157.00	81000.00	75816.00	71474.00	107021.00	102795.00	91514.00	108324.00	96638.00	79671.00	108794.00	1.00	102256.00	87497.00	74894.00	85594.00	100864.00	95794.00	136704.00	120365.00	77131.00
C20 H30 O2	1.00	19002.00	19862.00	16918.00	15865.00	19294.00	23263.00	19123.00	18144.00	14024.00	14121.00	32056.00	36846.00	17680.00	26718.00	20941.00	18140.00	15875.00	41413.00	22787.00	20482.00	15406.00	11692.00	20814.00	13950.00	19326.00	12897.00	24454.00	19420.00	19504.00
C7 H4 N6 O3	1.00	16551.00	18816.00	24502.00	37551.00	30047.00	23055.00	79020.00	18918.00	79862.00	1.00	1.00	1.00	38377.00	30031.00	1.00	36339.00	1.00	1.00	35076.00	1.00	35342.00	1.00	1.00	1.00	24750.00	11153.00	64983.00	54441.00	1.00
C30 H58 N6 O4	1.00	27638.00	43068.00	1.00	22067.00	1.00	47829.00	20569.00	42292.00	1.00	29338.00	20168.00	24436.00	26053.00	32568.00	34584.00	1.00	51974.00	19266.00	18333.00	26174.00	48150.00	31709.00	25794.00	45944.00	44201.00	54561.00	22839.00	29804.00	38987.00
C12 H15 N3 O8	16179.00	23223.00	34780.00	15004.00	28739.00	28430.00	21145.00	24475.00	26387.00	15513.00	38921.00	37918.00	35509.00	29645.00	23056.00	27650.00	28139.00	29904.00	28781.00	36309.00	23285.00	20349.00	26137.00	47719.00	28557.00	33127.00	15021.00	33102.00	23526.00	21488.00
C29 H65 N25 O3	28492.00	16998.00	50447.00	25955.00	26165.00	32157.00	36240.00	24296.00	40232.00	26467.00	11248.00	29426.00	22476.00	23291.00	21176.00	35085.00	12813.00	25589.00	23638.00	20302.00	41889.00	23898.00	17120.00	39551.00	23457.00	26115.00	18913.00	30528.00	35122.00	14739.00
C7 H7 N O6	30142.00	15720.00	16090.00	1.00	1.00	9514.00	49386.00	21192.00	13298.00	37495.00	1.00	12884.00	1.00	25506.00	12861.00	1.00	11668.00	17571.00	26808.00	1.00	1.00	11428.00	14581.00	1.00	10253.00	1.00	10079.00	9215.00	1.00	18630.00
C43 H72 N11 O2	28440.00	21219.00	39985.00	38158.00	43616.00	33796.00	27367.00	29157.00	45431.00	29293.00	15321.00	16416.00	26171.00	25804.00	26586.00	22265.00	25041.00	32023.00	53279.00	25050.00	32837.00	41188.00	24655.00	29631.00	15792.00	23864.00	23558.00	21543.00	26370.00	16046.00
C4 H6 N3 O4 Esi-4.483001	612249.00	346057.00	330613.00	326298.00	499580.00	329626.00	557210.00	604759.00	459528.00	724607.00	387857.00	132813.00	920676.00	208699.00	215726.00	1.00	468666.00	455631.00	552064.00	352182.00	887157.00	1.00	906392.00	959799.00	684775.00	434476.00	799395.00	433770.00	378899.00	382371.00
C10 H11 N5 O4 Esi-2.8349993 :1	308628.00	178074.00	197472.00	277241.00	184230.00	210442.00	243431.00	212111.00	186046.00	265978.00	411622.00	191321.00	256833.00	285650.00	221931.00	188876.00	190063.00	183770.00	230477.00	171801.00	341956.00	217044.00	192661.00	263780.00	184696.00	180007.00	206771.00	206693.00	339729.00	195819.00
C30 H12 N O2	37375.00	15442.00	19956.00	14193.00	18463.00	17129.00	19494.00	1.00	24597.00	1.00	22243.00	22356.00	19986.00	25722.00	20215.00	17810.00	30329.00	24897.00	20429.00	21603.00	20606.00	21298.00	14195.00	21178.00	29586.00	33762.00	19419.00	1.00	1.00	16964.00
C19 H22 N3 O2	27995.00	27878.00	33085.00	41550.00	34484.00	34672.00	37119.00	35033.00	25574.00	27511.00	26053.00	31724.00	27121.00	33465.00	25497.00	25384.00	24852.00	34457.00	31526.00	28394.00	28770.00	27373.00	22228.00	31243.00	19332.00	23149.00	19538.00	28999.00	24047.00	29065.00
C29 H61 N22 O3	20859.00	12051.00	23391.00	24875.00	23871.00	1.00	1.00	19221.00	34565.00	28599.00	19334.00	25752.00	28864.00	26559.00	28978.00	20057.00	43410.00	38145.00	31996.00	52024.00	1.00	1.00	25471.00	20115.00	20546.00	16726.00	14699.00	27108.00	16363.00	26802.00
C29 H15 N2 O26 Esi-9.371001	1.00	1.00	25960.00	1.00	1.00	1.00	1.00	1.00	13723.00	22563.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	28703.00	1.00	1.00	1.00	15721.00	1.00	10978.00	1.00	1.00	1.00	1.00	16044.00
C16 H28 N3 O2 S Esi-1.0669998	57424.00	82901.00	99008.00	68991.00	62942.00	95048.00	34173.00	61962.00	74533.00	66495.00	48979.00	69119.00	112613.00	66803.00	70630.00	73734.00	52230.00	83731.00	125748.00	109927.00	75340.00	70941.00	61126.00	63628.00	62343.00	82738.00	76483.00	106615.00	82549.00	105995.00
C4 H6 O2 Esi-2.8369987	503829.00	294305.00	299846.00	455405.00	331163.00	381566.00	425905.00	381148.00	313350.00	445617.00	686889.00	322988.00	422211.00	506027.00	414210.00	338255.00	366669.00	129920.00	431850.00	334730.00	577899.00	374972.00	324661.00	466107.00	339953.00	335534.00	371791.00	374687.00	564007.00	349620.00
C4 H2 N4 S Esi-2.778	101113.00	97946.00	96605.00	109344.00	114511.00	126140.00	122104.00	122687.00	83865.00	111881.00	121602.00	117072.00	102098.00	103177.00	107866.00	113638.00	122785.00	83637.00	133165.00	98177.00	119029.00	111330.00	131336.00	121359.00	117732.00	110554.00	110184.00	128668.00	125630.00	106608.00
C9 H4 O3 Esi-7.6790004	28902.00	29117.00	32820.00	28047.00	29673.00	36523.00	27898.00	26319.00	29746.00	27323.00	37781.00	28093.00	1.00	30116.00	29916.00	24354.00	26091.00	42725.00	1.00	32876.00	30475.00	1.00	36012.00	37781.00	1.00	26589.00	27069.00	18638.00	28722.00	40541.00
C23 H44 N6 O2	1.00	14520.00	27616.00	11126.00	18579.00	15733.00	28367.00	15175.00	28338.00	1.00	11059.00	18865.00	20457.00	20621.00	23987.00	19735.00	1.00	28437.00	28111.00	14400.00	18374.00	22166.00	16950.00	23563.00	29216.00	40551.00	25194.00	20281.00	26035.00	33510.00
C12 H4 N2 O3 S	42991.00	1.00	48221.00	1.00	1.00	23733.00	1.00	40554.00	16122.00	22367.00	26060.00	10609.00	10954.00	35822.00	32484.00	21800.00	14209.00	19476.00	18830.00	21116.00	16994.00	1.00	16392.00	1.00	25972.00	12436.00	21796.00	11690.00	1.00	31145.00
C28 H58 N9 O2	1.00	33777.00	22207.00	1.00	12835.00	13428.00	47246.00	12835.00	52016.00	1.00	15704.00	24502.00	12354.00	16479.00	30902.00	33603.00	1.00	40545.00	17285.00	18734.00	16240.00	38888.00	20373.00	30430.00	46538.00	44585.00	37421.00	15303.00	33420.00	32215.00
C31 H48 N11 O4	1.00	51383.00	16263.00	1.00	16435.00	1.00	41102.00	10795.00	22674.00	39029.00	24890.00	12538.00	1.00	1.00	25704.00	16376.00	18722.00	34370.00	1.00	15182.00	28063.00	25243.00	12087.00	20000.00	18560.00	13787.00	18419.00	1.00	15649.00	12412.00
C17 H28 O3 S Esi-1.0669998 :2	81067.00	43320.00	108356.00	93274.00	84749.00	40288.00	88805.00	78686.00	98682.00	77143.00	72855.00	102773.00	89699.00	91237.00	98358.00	89207.00	23740.00	118262.00	145996.00	117972.00	82243.00	84969.00	68526.00	92013.00	79450.00	99073.00	87213.00	129477.00	100794.00	118080.00
C5 H4 S3 Esi-2.7409997	143101.00	92476.00	98255.00	126406.00	94394.00	104437.00	120153.00	111786.00	87537.00	122237.00	144485.00	91909.00	115470.00	130328.00	106886.00	89357.00	98213.00	82095.00	111980.00	85169.00	126956.00	98556.00	90845.00	120320.00	98155.00	90174.00	97321.00	101651.00	135067.00	93634.00
C6 H6 N2 O	152890.00	89830.00	89691.00	135422.00	94253.00	111710.00	47090.00	109059.00	36645.00	64116.00	206577.00	90981.00	118453.00	153876.00	119193.00	97899.00	106895.00	89901.00	125562.00	33873.00	168671.00	103108.00	94577.00	39680.00	98227.00	93810.00	102188.00	104383.00	161074.00	98695.00
C25 H44 N3 O3	1.00	18509.00	30576.00	13593.00	23282.00	18646.00	32165.00	20072.00	29790.00	17858.00	16102.00	22134.00	26652.00	27955.00	24786.00	25368.00	1.00	34538.00	28694.00	23234.00	22088.00	22841.00	20061.00	27713.00	31860.00	39434.00	36005.00	27095.00	31436.00	40578.00
C43 H79 N5 O13	32882.00	34031.00	26503.00	35138.00	32494.00	29603.00	24068.00	24763.00	33824.00	30299.00	22638.00	31261.00	44058.00	29610.00	29714.00	27738.00	42639.00	27676.00	32036.00	47379.00	23810.00	24786.00	35362.00	28205.00	31486.00	21822.00	27677.00	31713.00	23139.00	34442.00
C30 H52 N6 O4	15275.00	18386.00	36976.00	13047.00	15004.00	1.00	29427.00	17654.00	30070.00	1.00	20134.00	17745.00	27193.00	25512.00	29220.00	25791.00	1.00	33528.00	17464.00	10653.00	19223.00	27059.00	23424.00	17661.00	36924.00	21666.00	50780.00	23150.00	22351.00	40499.00
C21 H50 N5 O5	1.00	35247.00	24258.00	15273.00	12422.00	15319.00	30708.00	13021.00	36240.00	1.00	14575.00	19781.00	17002.00	23220.00	29836.00	12979.00	1.00	38544.00	24866.00	12482.00	15175.00	35364.00	15954.00	28044.00	26575.00	34786.00	30439.00	17111.00	29354.00	30036.00
C4 H6 O4 Esi-2.0219996	37721.00	47668.00	44145.00	24077.00	36412.00	36867.00	22539.00	19572.00	30477.00	40542.00	34221.00	29497.00	65370.00	35312.00	25214.00	40007.00	23542.00	37738.00	60988.00	56284.00	17870.00	29800.00	94062.00	22873.00	20744.00	25955.00	36081.00	26739.00	24590.00	25410.00
C50 H8 N8 O3	1.00	10334.00	10449.00	1.00	1.00	11504.00	1.00	1.00	1.00	9312.00	1.00	1.00	1.00	1.00	1.00	1.00	8896.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C24 H52 N12 O	1.00	35859.00	25688.00	11493.00	12426.00	12231.00	44905.00	12161.00	38039.00	1.00	26533.00	21836.00	17742.00	25141.00	31940.00	21222.00	1.00	53053.00	18032.00	14167.00	15641.00	33568.00	20520.00	30127.00	33731.00	28726.00	42868.00	21765.00	28909.00	31256.00
C5 H O5 S Esi-4.5400004	162730.00	135949.00	269586.00	240746.00	203043.00	141287.00	148081.00	250088.00	283907.00	205998.00	258595.00	194346.00	237681.00	111466.00	85708.00	1.00	239384.00	107192.00	143930.00	293132.00	213617.00	1.00	229938.00	235894.00	231078.00	152165.00	263332.00	269355.00	154147.00	150956.00
C41 H84 N O15 S	23703.00	25614.00	19292.00	1.00	19786.00	21317.00	33935.00	31146.00	36429.00	37575.00	19377.00	14711.00	21060.00	17201.00	1.00	35852.00	23894.00	19398.00	17573.00	30652.00	15307.00	17773.00	17904.00	23706.00	22025.00	22789.00	20488.00	13077.00	13126.00	41614.00
C8 H6 S2	59184.00	28839.00	22635.00	14788.00	25002.00	22209.00	26373.00	60546.00	1.00	72233.00	54986.00	15343.00	1.00	58914.00	14983.00	53565.00	24463.00	13908.00	14994.00	41403.00	48696.00	38509.00	1.00	13186.00	1.00	1.00	16127.00	46102.00	59305.00	1.00
C7 H15 N3 O9	20749.00	13387.00	19715.00	14514.00	12411.00	23402.00	20952.00	1.00	1.00	1.00	36868.00	24906.00	1.00	13467.00	20815.00	1.00	15541.00	1.00	1.00	13261.00	18021.00	1.00	16913.00	12990.00	11860.00	17476.00	1.00	1.00	28135.00	29337.00
C5 H6 N4 O4	221502.00	36807.00	189581.00	113792.00	45348.00	1.00	149909.00	148282.00	149568.00	149909.00	114168.00	46495.00	34782.00	90505.00	105825.00	172715.00	110509.00	196916.00	116844.00	235974.00	95686.00	116182.00	170926.00	150087.00	100393.00	31240.00	112278.00	39421.00	161947.00	237603.00
C45 H85 N2 O6 S2	27749.00	24536.00	37336.00	21615.00	22272.00	27360.00	34632.00	22597.00	36471.00	30901.00	14999.00	27127.00	25660.00	25073.00	21979.00	34209.00	18194.00	35607.00	23945.00	23986.00	39786.00	22723.00	19404.00	30811.00	28369.00	23017.00	27776.00	30167.00	31281.00	19226.00
C16 H26 O3 S Esi-0.9960002	19217.00	11566.00	28534.00	25503.00	26167.00	32742.00	29802.00	33327.00	16090.00	36173.00	30762.00	34414.00	28958.00	26416.00	39395.00	35662.00	33032.00	34407.00	13624.00	28863.00	31620.00	30274.00	36241.00	23764.00	29202.00	28349.00	32095.00	41404.00	33329.00	26371.00
C5 H2 O8 S	10622.00	1.00	21492.00	1.00	13611.00	9438.00	32117.00	10481.00	19796.00	1.00	1.00	13059.00	13333.00	15790.00	46542.00	10151.00	10474.00	28242.00	1.00	1.00	14212.00	1.00	1.00	10551.00	14541.00	8816.00	36777.00	11873.00	21755.00	12804.00
C27 H61 N19 O4	15482.00	1.00	10404.00	14698.00	14077.00	1.00	1.00	21312.00	18780.00	39704.00	11231.00	12027.00	25030.00	19347.00	14859.00	16552.00	27298.00	21698.00	20426.00	47527.00	1.00	1.00	11258.00	13717.00	14891.00	1.00	18186.00	10777.00	11026.00	18733.00
C3 H2 N3 O3	43416.00	46230.00	44599.00	42660.00	44608.00	40693.00	42357.00	44381.00	40558.00	44913.00	43274.00	38013.00	41399.00	40744.00	47056.00	42180.00	44873.00	43258.00	44756.00	39397.00	42259.00	39600.00	41444.00	44793.00	46191.00	46312.00	44311.00	45785.00	42247.00	40863.00
C34 H48 S	14780.00	25930.00	44085.00	18658.00	23464.00	17141.00	38993.00	31500.00	39740.00	1.00	26980.00	28258.00	32754.00	33289.00	37610.00	28894.00	1.00	47497.00	23393.00	21311.00	35601.00	44930.00	32654.00	34481.00	44809.00	36238.00	49019.00	20962.00	36993.00	48495.00
C21 H10 N6 O5 Esi-2.7300005	79635.00	62108.00	68793.00	75498.00	70565.00	70822.00	81049.00	83253.00	58177.00	96726.00	19748.00	26269.00	62624.00	90557.00	77541.00	65039.00	70394.00	60053.00	69683.00	64776.00	20459.00	72194.00	60961.00	68852.00	59510.00	62539.00	66543.00	84184.00	95358.00	55191.00
Phenylalanine	22728.00	33254.00	41081.00	30819.00	29574.00	36916.00	31948.00	36621.00	43858.00	32246.00	26479.00	39304.00	33961.00	27162.00	46344.00	26695.00	34456.00	35607.00	28805.00	42905.00	24987.00	28600.00	42481.00	45861.00	29601.00	37280.00	45619.00	37967.00	22526.00	45780.00
C8 H12 N3 O9	61537.00	42948.00	47339.00	59129.00	47831.00	51755.00	55143.00	53553.00	45295.00	57148.00	69177.00	47752.00	56606.00	60335.00	51339.00	51541.00	51157.00	48120.00	52964.00	44915.00	62130.00	53578.00	48394.00	57260.00	45223.00	45771.00	52181.00	49481.00	64042.00	46886.00
C10 H8 S Esi-5.2290025 :1	318832.00	333385.00	239177.00	297662.00	270232.00	212344.00	299841.00	248376.00	287642.00	320704.00	238609.00	303492.00	372186.00	302335.00	244196.00	363637.00	225153.00	278002.00	162615.00	233574.00	211095.00	371412.00	259206.00	226146.00	226392.00	201835.00	283582.00	215874.00	276114.00	169585.00
C40 H83 N8 O12 S	26334.00	33489.00	28768.00	19343.00	19455.00	23925.00	33353.00	31877.00	31211.00	39194.00	24484.00	22328.00	32452.00	28309.00	21699.00	35604.00	29399.00	34583.00	32014.00	29283.00	26165.00	32719.00	26274.00	32232.00	29676.00	26774.00	23075.00	26772.00	27294.00	30444.00
C28 H52 N3 O3	67633.00	141533.00	197692.00	71672.00	93281.00	60272.00	199757.00	97372.00	178504.00	30201.00	141449.00	100533.00	151418.00	175715.00	166586.00	129361.00	26915.00	257972.00	110551.00	75197.00	112189.00	183141.00	133213.00	123142.00	224342.00	146297.00	300923.00	110445.00	128450.00	272046.00
C6 H O8 S Esi-1.059	83370.00	151241.00	73643.00	63965.00	98999.00	81077.00	193984.00	108089.00	126865.00	80064.00	48228.00	100079.00	136971.00	138397.00	205078.00	128698.00	57450.00	172845.00	207218.00	148994.00	113408.00	118541.00	60895.00	101391.00	223553.00	159892.00	196795.00	31336.00	100204.00	114289.00
C18 H34 N12	14641.00	1.00	27558.00	21225.00	17394.00	1.00	26374.00	16277.00	25445.00	1.00	28779.00	18477.00	21037.00	23920.00	25186.00	18386.00	1.00	30681.00	17017.00	17997.00	21631.00	24314.00	13951.00	21423.00	29047.00	20930.00	39187.00	16135.00	25325.00	35500.00
Zopiclone	1.00	1.00	16419.00	1.00	1.00	13061.00	11447.00	11254.00	11256.00	12825.00	10626.00	13533.00	1.00	1.00	1.00	1.00	1.00	10874.00	1.00	1.00	1.00	1.00	10789.00	1.00	10516.00	1.00	10371.00	1.00	1.00	10271.00
C17 H26 O4 Esi-5.149001	1.00	31407.00	33656.00	30125.00	1.00	29776.00	30837.00	1.00	1.00	33001.00	28663.00	1.00	31225.00	33661.00	33164.00	30056.00	31305.00	31242.00	32086.00	1.00	1.00	30684.00	1.00	32071.00	1.00	1.00	28620.00	30936.00	29869.00	33538.00
C4 H3 N3 S3	1.00	51348.00	33110.00	21019.00	46412.00	37027.00	47226.00	33684.00	53757.00	16483.00	34959.00	31241.00	26714.00	42517.00	70182.00	27352.00	1.00	37900.00	83540.00	44848.00	43172.00	37828.00	24093.00	26400.00	24592.00	27055.00	25343.00	68674.00	29767.00	34442.00
C4 H8 N3 O2 S	117051.00	247719.00	232006.00	121983.00	180899.00	206194.00	94355.00	292882.00	259376.00	169856.00	161083.00	42035.00	38569.00	71832.00	71078.00	1.00	160550.00	269475.00	167093.00	189702.00	180370.00	1.00	94273.00	204891.00	170552.00	110480.00	1.00	208498.00	111199.00	116364.00
C9 H14 N O11	35159.00	13629.00	24949.00	1.00	18650.00	14388.00	13128.00	16257.00	19051.00	1.00	26046.00	23611.00	17955.00	145776.00	15131.00	16838.00	17211.00	19663.00	12213.00	22117.00	14661.00	14566.00	18101.00	73344.00	59027.00	39127.00	1.00	21233.00	13071.00	19471.00
C10 H22 N13 O	28529.00	25898.00	28547.00	29169.00	20160.00	28708.00	34400.00	19697.00	35656.00	40598.00	20023.00	18956.00	24717.00	30934.00	21477.00	48809.00	38832.00	32058.00	27253.00	17846.00	36236.00	31144.00	15006.00	13529.00	35853.00	20991.00	32547.00	40965.00	26192.00	30036.00
C4 H10 Cl2 N2 O2 S2	1.00	1.00	42183.00	16015.00	44238.00	17837.00	1.00	26673.00	36485.00	1.00	15351.00	35156.00	16029.00	13149.00	1.00	19246.00	1.00	34820.00	23139.00	16150.00	1.00	18906.00	28610.00	30059.00	18325.00	18573.00	1.00	23647.00	1.00	1.00
C6 H14 N3 S3 Esi-1.125	41073.00	40663.00	83092.00	56768.00	44577.00	79486.00	65527.00	66510.00	48931.00	54789.00	47716.00	54777.00	38267.00	44027.00	44576.00	64273.00	68742.00	43103.00	55904.00	39075.00	54684.00	62785.00	78184.00	45170.00	59675.00	59532.00	47476.00	62461.00	57279.00	56860.00
C31 H20 N8 O26 S2	1.00	29853.00	42032.00	1.00	1.00	1.00	1.00	19659.00	1.00	1.00	26790.00	1.00	1.00	28615.00	19382.00	1.00	1.00	1.00	19364.00	1.00	1.00	29530.00	1.00	17333.00	1.00	1.00	1.00	1.00	1.00	19237.00
C30 H63 N28 O5	31863.00	26070.00	38703.00	41102.00	38768.00	33990.00	35092.00	27783.00	36380.00	31851.00	23210.00	36870.00	44882.00	31020.00	35042.00	32511.00	26878.00	33972.00	39378.00	31679.00	39110.00	24927.00	34708.00	35787.00	28020.00	29309.00	27041.00	35427.00	34069.00	24831.00
N-Acetyl-D-glucosamine	45862.00	28887.00	59130.00	1.00	1.00	1.00	1.00	1.00	1.00	32210.00	1.00	1.00	1.00	1.00	1.00	34178.00	1.00	1.00	45223.00	1.00	1.00	39790.00	1.00	1.00	37915.00	31761.00	1.00	1.00	28584.00	43771.00
C4 H8 N3 O2 S Esi-5.212999	105783.00	169555.00	126842.00	100045.00	75481.00	94549.00	111186.00	101735.00	130528.00	114973.00	131469.00	103342.00	127878.00	95964.00	133505.00	171678.00	128774.00	129449.00	117484.00	105170.00	92989.00	165991.00	114346.00	110807.00	95913.00	90352.00	83105.00	107440.00	105741.00	108772.00
C4 O5 S	1.00	1.00	105159.00	111314.00	1.00	116227.00	120857.00	1.00	1.00	1.00	43145.00	106515.00	1.00	1.00	1.00	1.00	1.00	88534.00	70454.00	1.00	1.00	1.00	1.00	1.00	51026.00	91665.00	95072.00	1.00	1.00	1.00
C12 H14 O18	44916.00	36324.00	40416.00	36242.00	38051.00	31826.00	33707.00	39162.00	35350.00	39796.00	34011.00	39032.00	26044.00	29693.00	41527.00	42438.00	34616.00	42104.00	38241.00	43049.00	35793.00	34943.00	41553.00	40148.00	36391.00	35552.00	36290.00	38580.00	38037.00	44999.00
C38 H20 N11 O18	1.00	1.00	10556.00	1.00	1.00	10045.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C5 H2 O7 S Esi-2.5540006	20036.00	27081.00	28749.00	21150.00	22341.00	25383.00	22216.00	32680.00	25899.00	20296.00	20077.00	1.00	17834.00	27852.00	20490.00	20767.00	21478.00	22704.00	1.00	21955.00	18583.00	21571.00	25382.00	1.00	1.00	20595.00	21792.00	26411.00	23376.00	1.00
C6 H3 O6 S Esi-4.4899983	127238.00	138342.00	209942.00	98224.00	147002.00	135881.00	106723.00	195630.00	166074.00	158677.00	87787.00	142212.00	141071.00	104549.00	70685.00	1.00	213081.00	96745.00	198624.00	176162.00	163812.00	1.00	218737.00	167777.00	173231.00	103592.00	71377.00	121889.00	102304.00	115553.00
C21 H10 N6 O5 Esi-2.7279997	79635.00	62108.00	68793.00	75498.00	70565.00	70822.00	81049.00	83253.00	58177.00	96726.00	56850.00	29885.00	62624.00	90816.00	77541.00	65039.00	70394.00	60053.00	69683.00	64776.00	55005.00	72194.00	60961.00	68852.00	59510.00	62539.00	66543.00	84184.00	95358.00	55191.00
C7 H6 O3 Esi-1.3940006	44660.00	75569.00	40747.00	33820.00	48629.00	82334.00	41618.00	1.00	39336.00	72278.00	50626.00	48337.00	57829.00	2287187.00	83007.00	48116.00	60027.00	56549.00	2003806.00	34082.00	36080.00	113901.00	162234.00	1.00	61134.00	63145.00	37456.00	2369373.00	45506.00	37436.00
C4 H8 O3 S	28170.00	40075.00	40180.00	39336.00	18519.00	32580.00	41374.00	41373.00	41357.00	26365.00	30357.00	33730.00	29619.00	27042.00	40574.00	27464.00	37101.00	42485.00	39750.00	33981.00	37116.00	33875.00	24416.00	37262.00	37880.00	45298.00	16561.00	43274.00	37622.00	33972.00
C25 H48 O4	1.00	1.00	16631.00	1.00	11380.00	11390.00	14537.00	11974.00	17331.00	1.00	1.00	14304.00	12097.00	11480.00	17633.00	9990.00	1.00	19294.00	15479.00	1.00	1.00	12107.00	1.00	14009.00	22949.00	36215.00	20364.00	12261.00	21626.00	25208.00
C23 H46 N6 O2	1.00	12540.00	22706.00	1.00	1.00	11267.00	20334.00	10915.00	17688.00	1.00	1.00	14333.00	13416.00	12899.00	20858.00	14452.00	1.00	24619.00	18383.00	1.00	11635.00	16076.00	10006.00	17918.00	22414.00	35398.00	17168.00	11691.00	19497.00	26621.00
C10 H8 O3 S	13513.00	21033.00	19633.00	19417.00	16981.00	28100.00	21066.00	14447.00	24153.00	13144.00	10775.00	22836.00	22178.00	23092.00	15811.00	20121.00	14556.00	20147.00	37084.00	29785.00	19932.00	22086.00	12711.00	14756.00	14357.00	19709.00	14677.00	35538.00	22238.00	23382.00
C26 H47 N2 O11	23221.00	30229.00	36880.00	1.00	23639.00	26388.00	38048.00	19137.00	43562.00	27440.00	12521.00	38060.00	18242.00	16316.00	18212.00	36445.00	39001.00	40635.00	23002.00	31257.00	29179.00	19914.00	31168.00	35035.00	32048.00	18230.00	17667.00	31007.00	22211.00	19427.00
C22 H28 N2 O7	23928.00	27309.00	27921.00	24366.00	25320.00	24695.00	32033.00	24536.00	32282.00	28944.00	29042.00	26587.00	24987.00	26188.00	28852.00	34715.00	30433.00	24732.00	32252.00	25831.00	31456.00	20379.00	29205.00	30342.00	28341.00	31183.00	35109.00	29623.00	32175.00	29101.00
C50 H10 N12 O4	1.00	1.00	11045.00	1.00	1.00	11587.00	1.00	1.00	1.00	9780.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
Chenodeoxycholic Acid Esi-1.0919997	8801.00	1.00	59269.00	33477.00	36308.00	28057.00	52254.00	41598.00	60009.00	1.00	58979.00	37448.00	40909.00	38806.00	44920.00	27326.00	12983.00	93122.00	42339.00	36913.00	47556.00	52563.00	40575.00	65974.00	60219.00	78537.00	100922.00	19002.00	86354.00	79334.00
C12 H20 O4	17384.00	27641.00	16743.00	1.00	1.00	17685.00	20368.00	1.00	19125.00	1.00	1.00	1.00	15784.00	1.00	1.00	17911.00	1.00	1.00	17353.00	1.00	43261.00	1.00	1.00	1.00	1.00	18735.00	1.00	15201.00	1.00	28139.00
C31 H57 N14 O2	14387.00	20898.00	34117.00	16924.00	21043.00	9204.00	44547.00	28988.00	34916.00	13938.00	21775.00	20145.00	13452.00	22308.00	25405.00	37606.00	9503.00	38229.00	12610.00	28038.00	33422.00	27097.00	35443.00	28606.00	31727.00	37352.00	30225.00	12679.00	23972.00	23078.00
C41 H72 N14 O	22786.00	11250.00	25515.00	27245.00	33382.00	30714.00	15612.00	27048.00	28144.00	22371.00	13542.00	13538.00	22076.00	22319.00	20598.00	15323.00	18021.00	24990.00	33596.00	17845.00	22232.00	41294.00	21832.00	25870.00	17581.00	23490.00	16052.00	14494.00	23247.00	13002.00
C6 H13 N O3	18944.00	21585.00	29567.00	15668.00	18451.00	21525.00	19673.00	18686.00	21040.00	1.00	16287.00	24024.00	20665.00	14676.00	18389.00	22291.00	14602.00	41835.00	1.00	21795.00	18113.00	13474.00	24353.00	21406.00	1.00	12820.00	25115.00	17812.00	16938.00	27057.00
C40 H72 N4 O7	18512.00	19895.00	28195.00	22860.00	17595.00	12585.00	17092.00	30852.00	32085.00	26415.00	12642.00	20599.00	21777.00	16026.00	18439.00	15977.00	40688.00	31259.00	20132.00	20343.00	14612.00	15212.00	17161.00	20708.00	16366.00	12872.00	15050.00	18240.00	17306.00	15717.00
C23 H24 N7 O2	31997.00	38713.00	29197.00	35873.00	29218.00	30895.00	38418.00	33822.00	38238.00	32463.00	40945.00	28664.00	33043.00	29055.00	31859.00	38170.00	44904.00	32936.00	34810.00	31209.00	33536.00	29925.00	31956.00	36750.00	34091.00	35608.00	35712.00	32449.00	44079.00	43774.00
C20 H48 N16 O	1.00	32769.00	22655.00	11882.00	17712.00	10133.00	42776.00	15450.00	31620.00	1.00	21153.00	18212.00	14166.00	18872.00	25094.00	20030.00	1.00	46769.00	22161.00	18861.00	21053.00	32223.00	18000.00	24906.00	22736.00	22434.00	29587.00	22235.00	25820.00	25692.00
C19 H14 N7 O14 S	32756.00	12250.00	22050.00	1.00	10471.00	1.00	10766.00	14051.00	19493.00	16109.00	1.00	10998.00	1.00	1.00	20291.00	18379.00	1.00	29700.00	1.00	27504.00	1.00	1.00	14404.00	15093.00	14436.00	1.00	1.00	22800.00	10426.00	35187.00
C13 H7 N3 Esi-2.894	33722.00	31656.00	34201.00	30900.00	36062.00	27968.00	41072.00	39156.00	32299.00	45404.00	37444.00	24333.00	23122.00	1.00	36531.00	29724.00	1.00	34138.00	31876.00	1.00	33003.00	27475.00	26950.00	32359.00	28273.00	33887.00	34045.00	41786.00	42923.00	29586.00
C4 H6 N4 O3 Esi-2.048	36801.00	55360.00	51906.00	37844.00	45572.00	45732.00	35315.00	36210.00	51026.00	39638.00	36933.00	43405.00	31027.00	31578.00	58174.00	48528.00	37742.00	73029.00	50937.00	81021.00	26356.00	32902.00	45420.00	38956.00	37040.00	26550.00	35526.00	54575.00	46174.00	65431.00
C5 H O6 S Esi-1.5320002	27401.00	23093.00	25395.00	16750.00	22527.00	25165.00	31034.00	25194.00	29882.00	19668.00	20275.00	20503.00	19817.00	14867.00	25604.00	46068.00	15794.00	27336.00	19291.00	29312.00	24834.00	18720.00	24862.00	26473.00	17701.00	25131.00	19805.00	24064.00	20637.00	34958.00
C10 H14 N O5 S Esi-3.5159998	17204.00	1.00	18187.00	1.00	1.00	18128.00	18221.00	1.00	1.00	1.00	30661.00	22778.00	1.00	13825.00	15588.00	1.00	16826.00	1.00	1.00	1.00	16768.00	13654.00	15185.00	1.00	1.00	15646.00	1.00	13132.00	23581.00	24413.00
C21 H52 N14 O4	14780.00	22610.00	37724.00	16352.00	26108.00	1.00	47364.00	18824.00	33158.00	1.00	31412.00	22300.00	23023.00	29742.00	31463.00	26087.00	1.00	51304.00	25283.00	18960.00	36334.00	36586.00	27500.00	26389.00	33271.00	29109.00	43529.00	15673.00	28336.00	42109.00
C40 H22 N13 O S	1.00	1.00	13929.00	1.00	1.00	10962.00	1.00	9797.00	9743.00	11695.00	1.00	10401.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9781.00	1.00	1.00	1.00	1.00	1.00	1.00	10579.00
PE(18:1(11Z)/18:2(9Z,12Z))	1.00	1.00	13239.00	1.00	1.00	1.00	1.00	20174.00	13462.00	27347.00	12583.00	1.00	17924.00	12077.00	1.00	16631.00	36289.00	22167.00	18153.00	42286.00	1.00	1.00	1.00	13520.00	13134.00	1.00	1.00	13608.00	1.00	15135.00
C22 H23 N4 O7	1.00	1.00	11284.00	21439.00	31362.00	9768.00	1.00	1.00	10873.00	13199.00	10026.00	1.00	10240.00	1.00	12371.00	9797.00	1.00	27806.00	9378.00	1.00	20804.00	1.00	1.00	33106.00	1.00	14696.00	1.00	15883.00	1.00	20769.00
C14 H24 N20	12460.00	1.00	27961.00	12022.00	1.00	1.00	1.00	16389.00	1.00	1.00	27735.00	1.00	1.00	36745.00	1.00	1.00	14079.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9339.00	1.00	1.00
C10 H22 N13 O Esi-1.0669998	36168.00	49462.00	40598.00	28384.00	28930.00	36147.00	32333.00	31055.00	36116.00	32471.00	17592.00	34402.00	42571.00	36707.00	24958.00	51889.00	37066.00	48083.00	56541.00	48765.00	46830.00	34926.00	29200.00	22088.00	34363.00	27437.00	36590.00	44865.00	42665.00	52866.00
C15 H3 N S2 Esi-2.8270006	130188.00	109304.00	102510.00	116674.00	105890.00	102545.00	115149.00	110086.00	99771.00	117706.00	119576.00	105750.00	46650.00	120011.00	115053.00	109489.00	104459.00	105700.00	111665.00	98132.00	111238.00	98985.00	104831.00	111941.00	97070.00	96092.00	101439.00	101619.00	118736.00	101106.00
C5 H11 O7	16272.00	19416.00	16081.00	15171.00	15712.00	13855.00	17975.00	15825.00	24576.00	27519.00	1.00	18224.00	17711.00	1.00	16103.00	1.00	42488.00	30581.00	22857.00	28957.00	22403.00	19473.00	24579.00	21185.00	26793.00	12835.00	14035.00	13249.00	15567.00	23576.00
C32 H54 N9 O	1.00	32098.00	25213.00	17854.00	21442.00	11722.00	39413.00	14717.00	32799.00	19969.00	37984.00	23679.00	1.00	12184.00	18089.00	19727.00	11136.00	22672.00	32456.00	29102.00	34118.00	41871.00	14763.00	21037.00	20019.00	17241.00	19660.00	19476.00	33587.00	23693.00
C29 H61 N25 O2	19499.00	1.00	17709.00	32556.00	13045.00	10420.00	1.00	11343.00	22939.00	29493.00	18886.00	17916.00	22506.00	28258.00	27615.00	1.00	1.00	20022.00	32466.00	21936.00	1.00	1.00	27142.00	11937.00	11081.00	10014.00	10396.00	11755.00	17233.00	29086.00
C3 H3 N4 O5 Esi-4.037 :1	46020.00	142947.00	283727.00	123792.00	138096.00	1.00	1.00	210891.00	395746.00	31043.00	137144.00	120258.00	230671.00	1.00	1.00	1.00	1.00	214378.00	191702.00	161058.00	272185.00	1.00	255953.00	284086.00	1.00	1.00	194268.00	278879.00	1.00	1.00
C23 H46 N6 O3	1.00	15371.00	26798.00	11377.00	15724.00	14618.00	22964.00	17208.00	22269.00	1.00	14375.00	25743.00	15991.00	22997.00	20667.00	16322.00	1.00	31096.00	17397.00	11042.00	17216.00	18590.00	18388.00	22135.00	25497.00	35612.00	31101.00	24851.00	24590.00	31361.00
C4 H5 Cl N O Esi-5.3179994 :1	53966.00	273646.00	35567.00	48591.00	53939.00	38079.00	265495.00	39959.00	83148.00	47907.00	63964.00	56139.00	79929.00	111196.00	67929.00	149382.00	48755.00	56825.00	144758.00	44804.00	151576.00	1.00	132984.00	158393.00	63076.00	92983.00	48551.00	43267.00	34699.00	35319.00
C6 H8 Cl Esi-4.543999 :1	38786.00	44590.00	83586.00	36992.00	64803.00	173022.00	168660.00	170273.00	87431.00	178938.00	124127.00	64022.00	148256.00	105772.00	106200.00	1.00	229593.00	421575.00	192961.00	89319.00	274813.00	1.00	59000.00	62018.00	54171.00	206074.00	111158.00	38836.00	201418.00	157151.00
C43 H59 N26	38013.00	37267.00	35365.00	37103.00	34885.00	37053.00	35200.00	35020.00	35090.00	39627.00	31478.00	34860.00	39294.00	36890.00	34656.00	37027.00	32344.00	35743.00	40010.00	39265.00	38465.00	41219.00	33488.00	39261.00	31395.00	32850.00	37624.00	37796.00	38306.00	34410.00
C8 H3 N2 O2	362113.00	251957.00	128584.00	140823.00	113290.00	165653.00	140304.00	193761.00	194531.00	313634.00	174796.00	120549.00	130063.00	236886.00	163281.00	233683.00	218372.00	163337.00	102206.00	368120.00	155687.00	189081.00	66940.00	259360.00	174082.00	116118.00	1.00	334969.00	230623.00	108875.00
C9 H2 N3 S Esi-0.9990002	122357.00	121570.00	38611.00	2468150.00	30964.00	39718.00	116108.00	136802.00	24830.00	217245.00	48820.00	883485.00	85170.00	67357.00	115589.00	54819.00	35183.00	1224302.00	1027296.00	167094.00	164069.00	37344.00	39845.00	246324.00	785898.00	158804.00	32010.00	31357.00	163819.00	271978.00
C7 H12 N3 O7	66011.00	27244.00	26104.00	24548.00	30154.00	26594.00	38595.00	42256.00	1.00	41566.00	38001.00	19243.00	1.00	1.00	29479.00	26754.00	32626.00	21561.00	21926.00	25097.00	24669.00	25835.00	1.00	43736.00	43856.00	47959.00	24954.00	38511.00	38374.00	21072.00
C5 H O5 S Esi-5.311998	23591.00	26141.00	23795.00	54849.00	31451.00	21426.00	22416.00	19353.00	24670.00	22594.00	49118.00	32507.00	19328.00	31525.00	47602.00	30425.00	47061.00	31945.00	45619.00	25267.00	16246.00	38536.00	55585.00	22684.00	26138.00	22118.00	20573.00	19608.00	22704.00	49404.00
C36 H38 N22 O3 S4	1.00	1.00	9957.00	1.00	1.00	1.00	1.00	1.00	1.00	10707.00	1.00	9284.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C28 H54 N6 O2	1.00	41012.00	12907.00	1.00	1.00	1.00	22730.00	1.00	24970.00	1.00	11374.00	15735.00	1.00	11885.00	22988.00	1.00	1.00	27628.00	18663.00	11487.00	9851.00	35009.00	1.00	16937.00	13510.00	11026.00	18078.00	13628.00	11505.00	16251.00
C9 H2 O7 Esi-2.3359995	111843.00	116362.00	114498.00	119087.00	115118.00	1.00	1.00	102202.00	125718.00	91386.00	107558.00	126979.00	109908.00	112864.00	1.00	1.00	120428.00	127928.00	127156.00	118466.00	138843.00	127058.00	1.00	130415.00	1.00	125583.00	125871.00	107961.00	109539.00	1.00
C24 H23 N O8	1.00	1.00	14025.00	33833.00	12630.00	18929.00	1.00	1.00	26660.00	14517.00	1.00	1.00	1.00	1.00	11651.00	1.00	1.00	15916.00	1.00	1.00	20377.00	1.00	1.00	26342.00	1.00	13487.00	1.00	11250.00	1.00	16901.00
C24 H42 N3 O4	1.00	1.00	28916.00	1.00	12526.00	1.00	15660.00	16092.00	14956.00	1.00	20558.00	1.00	15824.00	19543.00	17209.00	1.00	1.00	27519.00	11983.00	1.00	17109.00	18117.00	14528.00	19659.00	24556.00	19209.00	33719.00	1.00	23216.00	33091.00
C5 H7 N O3	18489.00	15432.00	37638.00	14961.00	29646.00	20156.00	15712.00	22661.00	32461.00	22645.00	21843.00	14320.00	22146.00	15500.00	17062.00	16355.00	18669.00	31423.00	26299.00	19818.00	18015.00	21194.00	23110.00	20105.00	20116.00	17091.00	28620.00	28475.00	18159.00	19135.00
C22 H32 O7	1.00	19022.00	19223.00	19822.00	1.00	13102.00	22798.00	13129.00	8895.00	1.00	21520.00	15276.00	29057.00	1.00	9167.00	1.00	1.00	1.00	14064.00	11193.00	31424.00	1.00	1.00	22608.00	23058.00	14830.00	9954.00	19445.00	1.00	16506.00
C12 H6 N2 O S Esi-1.0650004	21250.00	17860.00	33857.00	22270.00	16016.00	26708.00	18579.00	29476.00	14014.00	17461.00	22427.00	22512.00	12290.00	14178.00	19172.00	20348.00	28547.00	19103.00	14538.00	20865.00	20229.00	17899.00	25073.00	14545.00	18844.00	25485.00	17060.00	25582.00	18979.00	20034.00
C31 H53 N14	1.00	15451.00	22066.00	15009.00	19517.00	1.00	38324.00	15660.00	25375.00	23956.00	40690.00	15769.00	1.00	16714.00	20384.00	20417.00	15521.00	35954.00	11909.00	18667.00	29084.00	34928.00	19768.00	22778.00	25561.00	22792.00	22590.00	1.00	23482.00	15273.00
C27 H4 N3 O4 Esi-1.074	1.00	1.00	49579.00	31508.00	30103.00	47917.00	36778.00	35525.00	1.00	27066.00	25764.00	31658.00	1.00	1.00	1.00	24375.00	32137.00	26486.00	25255.00	1.00	28558.00	22593.00	45185.00	1.00	28885.00	37735.00	1.00	40511.00	24938.00	29156.00
L-Tryptophan	18766.00	18920.00	27208.00	1.00	16555.00	19256.00	15413.00	29224.00	26872.00	28771.00	19726.00	23055.00	18296.00	18951.00	21616.00	22023.00	22789.00	36109.00	1.00	20930.00	16676.00	18820.00	34456.00	21854.00	15519.00	15680.00	22450.00	22631.00	1.00	36168.00
C6 H8 Cl Esi-5.223001	137298.00	151292.00	150014.00	209399.00	131301.00	129322.00	161546.00	136768.00	169413.00	169709.00	1.00	133751.00	163978.00	150085.00	170602.00	225932.00	122854.00	159505.00	228380.00	128786.00	146343.00	227966.00	147899.00	151575.00	136322.00	130672.00	112718.00	153473.00	150119.00	147824.00
C29 H40 N10 O3	1.00	41249.00	10046.00	1.00	1.00	1.00	16511.00	1.00	10331.00	1.00	1.00	1.00	1.00	9552.00	16964.00	1.00	1.00	15989.00	1.00	1.00	1.00	1.00	1.00	11234.00	9629.00	1.00	1.00	1.00	1.00	1.00
C9 H7 N S2	15224.00	12415.00	31334.00	20890.00	27665.00	23724.00	24825.00	17319.00	35681.00	12530.00	26788.00	29270.00	18047.00	22183.00	18554.00	21564.00	13522.00	30018.00	29329.00	24288.00	20440.00	28473.00	24706.00	34515.00	20371.00	25477.00	11316.00	20898.00	14445.00	17823.00
C27 H13 N5 O25 Esi-1.857	1.00	1.00	31423.00	7984.00	1.00	1.00	1.00	1.00	1.00	1.00	110689.00	1.00	1.00	34863.00	1.00	1.00	1.00	26374.00	1.00	1.00	83710.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	357761.00	1.00
PE(18:2(9Z,12Z)/0:0)	1.00	16062.00	12246.00	1.00	1.00	1.00	20082.00	1.00	1.00	13259.00	1.00	15819.00	1.00	1.00	1.00	27222.00	28989.00	16309.00	13762.00	23929.00	11147.00	11842.00	1.00	22812.00	17423.00	1.00	11798.00	16075.00	10806.00	1.00
C14 H3 N	371309.00	301436.00	183630.00	222399.00	143519.00	153624.00	298405.00	290515.00	265086.00	269120.00	293297.00	143366.00	162565.00	226903.00	335205.00	253207.00	278356.00	368333.00	300207.00	314194.00	280173.00	129961.00	188506.00	159955.00	268499.00	142847.00	236626.00	266246.00	239388.00	322003.00
C8 S2	106325.00	92701.00	127594.00	125444.00	175587.00	102279.00	167280.00	200380.00	112019.00	167614.00	116679.00	49029.00	49421.00	127845.00	69936.00	126118.00	79001.00	88162.00	13950.00	102757.00	136572.00	121215.00	85172.00	78331.00	54420.00	139158.00	114380.00	182361.00	177503.00	1.00
C28 H46 N15 O3	1.00	40175.00	18588.00	10353.00	16118.00	1.00	37619.00	11798.00	19483.00	40013.00	25587.00	13758.00	1.00	9798.00	24672.00	15454.00	17815.00	29836.00	1.00	15568.00	26619.00	28876.00	11652.00	18662.00	19621.00	16353.00	19885.00	9820.00	15786.00	9470.00
C3 H5 N5 O3 Esi-4.482001	291322.00	122313.00	133282.00	319094.00	76033.00	271743.00	212663.00	230438.00	347660.00	75614.00	361103.00	169825.00	471479.00	113933.00	102483.00	1.00	358441.00	305305.00	323975.00	85703.00	430769.00	1.00	159299.00	458993.00	434944.00	314832.00	116963.00	165463.00	303588.00	204246.00
C60 H66 N4 O	14459.00	11326.00	17633.00	1.00	11809.00	1.00	22320.00	19737.00	23825.00	20273.00	1.00	14598.00	1.00	11847.00	13233.00	17530.00	30074.00	17954.00	16460.00	20344.00	1.00	1.00	15837.00	18487.00	24781.00	10891.00	1.00	1.00	1.00	39950.00
C4 H2 O3 S2 Esi-0.93499994	36251.00	30368.00	88845.00	43670.00	43646.00	37750.00	100095.00	33786.00	62905.00	37875.00	44916.00	42925.00	63820.00	52135.00	116062.00	67918.00	36137.00	14355.00	53169.00	86151.00	53316.00	47209.00	64546.00	62877.00	46363.00	1.00	72806.00	76987.00	44772.00	53107.00
C18 H32 N3 O	1.00	12800.00	17244.00	16695.00	15689.00	15599.00	17731.00	17465.00	14977.00	10846.00	1.00	23507.00	18808.00	15196.00	17136.00	16816.00	1.00	19673.00	38217.00	25701.00	19351.00	1.00	16056.00	17619.00	16913.00	21974.00	1.00	21874.00	17628.00	30571.00
C17 H28 O3 S Esi-2.556	25593.00	29573.00	28648.00	27375.00	28197.00	23975.00	29131.00	24735.00	40053.00	25635.00	24590.00	32202.00	26830.00	25706.00	28060.00	25198.00	24085.00	31745.00	24972.00	32900.00	31513.00	24459.00	35317.00	17384.00	23965.00	26431.00	37050.00	25280.00	31087.00	32686.00
3R-hydroxy-octanoic acid	11847.00	19471.00	26270.00	22899.00	1.00	1.00	13185.00	1.00	25507.00	1.00	1.00	1.00	1.00	51323.00	50737.00	1.00	45361.00	13014.00	15195.00	15579.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15286.00	24119.00
C9 H11 N O3	12888.00	11561.00	15035.00	11497.00	1.00	14339.00	13459.00	22603.00	16826.00	23803.00	1.00	19218.00	20461.00	11487.00	17638.00	12015.00	17170.00	17708.00	15566.00	20776.00	1.00	10812.00	23747.00	15087.00	12986.00	12772.00	21847.00	18158.00	1.00	36757.00
C19 H10 N O4	1.00	1.00	17248.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C3 H8 Cl2 N2 O5 S	1.00	1.00	34626.00	1.00	38695.00	14736.00	1.00	20834.00	30127.00	1.00	1.00	28613.00	13426.00	1.00	1.00	14748.00	1.00	28844.00	18392.00	13985.00	1.00	13806.00	21719.00	24941.00	15707.00	14263.00	1.00	17545.00	1.00	1.00
C13 H17 O4	31261.00	25915.00	33614.00	23145.00	29654.00	34639.00	25631.00	18637.00	26119.00	28476.00	29956.00	34928.00	26507.00	33062.00	24030.00	21871.00	23153.00	20022.00	30891.00	24664.00	22758.00	26683.00	25464.00	27972.00	27811.00	27162.00	25097.00	24250.00	27462.00	24601.00
C6 H6 N2 O3	43584.00	53788.00	50590.00	52384.00	28654.00	24670.00	33808.00	55941.00	48326.00	28870.00	48767.00	36846.00	42269.00	34767.00	35097.00	52647.00	30518.00	47590.00	50174.00	40705.00	1.00	24741.00	47952.00	47491.00	48257.00	48833.00	51433.00	30472.00	29718.00	39253.00
Methyl(S)-3-hydroxybutyrate Esi-1.354	36517.00	20964.00	37061.00	20590.00	24695.00	30779.00	13350.00	16883.00	30243.00	28371.00	13716.00	30870.00	24280.00	58249.00	18722.00	9841.00	43154.00	33448.00	10234.00	35378.00	23867.00	12756.00	21343.00	17563.00	26234.00	19450.00	18560.00	17864.00	17618.00	30587.00
C6 H6 N2 O2	19183.00	25400.00	13330.00	19118.00	15379.00	18977.00	18053.00	18978.00	32144.00	19946.00	20197.00	33060.00	12328.00	1.00	37241.00	25399.00	24891.00	16342.00	1.00	1.00	39730.00	36900.00	18862.00	1.00	21456.00	26649.00	31651.00	1.00	33860.00	34125.00
L-Leucine	15654.00	29699.00	29201.00	12175.00	29614.00	28464.00	38079.00	30954.00	37254.00	22986.00	16463.00	30406.00	24801.00	19986.00	37287.00	28397.00	19582.00	24548.00	14955.00	35513.00	19144.00	23744.00	22657.00	23417.00	16710.00	30569.00	28938.00	29629.00	18047.00	39023.00
L-Proline	16016.00	15859.00	12699.00	12512.00	13977.00	1.00	13112.00	12582.00	20646.00	21508.00	1.00	14451.00	14041.00	1.00	1.00	1.00	36886.00	24279.00	18818.00	23224.00	18244.00	17099.00	19087.00	19768.00	24767.00	15448.00	13526.00	1.00	11950.00	18169.00
Itaconic acid	32297.00	24718.00	27689.00	21269.00	23630.00	32179.00	27092.00	19536.00	29647.00	13098.00	26071.00	26370.00	25396.00	19503.00	20641.00	25715.00	22680.00	27639.00	39236.00	28981.00	20386.00	26510.00	24242.00	23628.00	15853.00	20302.00	23501.00	20993.00	30447.00	21001.00
C48 H8 N4 O Esi-1.0529999	1.00	1.00	29089.00	19689.00	1.00	19061.00	20849.00	20534.00	1.00	15974.00	1.00	16771.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	22183.00	1.00	15029.00	15342.00	1.00	17126.00	1.00	17179.00
C4 H2 N4 O3 S3	30172.00	19929.00	25877.00	25239.00	23454.00	30986.00	34962.00	26469.00	34459.00	33796.00	28428.00	16779.00	23417.00	29549.00	30632.00	28512.00	25779.00	40031.00	29826.00	32503.00	28911.00	29110.00	21377.00	31364.00	22092.00	30558.00	22231.00	27209.00	23842.00	25942.00
C19 H32 N12	18103.00	24681.00	15468.00	19363.00	37038.00	31553.00	1.00	21628.00	12913.00	19636.00	14915.00	16434.00	1.00	28414.00	17168.00	12370.00	14623.00	1.00	14231.00	18389.00	23201.00	1.00	21695.00	17992.00	16400.00	20936.00	20338.00	27163.00	15381.00	15234.00
C3 H6 N3 S Esi-6.6039996	1.00	1.00	50279.00	1.00	1.00	1.00	1.00	1.00	36610.00	1.00	1.00	36461.00	36428.00	1.00	1.00	1.00	40247.00	56694.00	1.00	1.00	44235.00	1.00	38471.00	39252.00	48908.00	1.00	1.00	21064.00	1.00	1.00
C7 H N S	1.00	1.00	31227.00	1.00	1.00	1.00	1.00	1.00	31397.00	1.00	1.00	32484.00	36313.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C4 H8 O3 S Esi-1.2339998	33213.00	15852.00	20187.00	9761.00	20117.00	23281.00	15875.00	27259.00	17722.00	12927.00	18929.00	12995.00	20602.00	1.00	25366.00	18454.00	22500.00	24231.00	22665.00	17885.00	12334.00	24092.00	19056.00	16136.00	1.00	34310.00	8444.00	24268.00	12109.00	17092.00
C11 H16 N10 O S	1.00	13718.00	14240.00	1.00	14162.00	1.00	25572.00	1.00	1.00	1.00	1.00	14017.00	1.00	1.00	20304.00	1.00	1.00	33751.00	1.00	14842.00	1.00	1.00	1.00	1.00	22704.00	16614.00	12965.00	1.00	1.00	1.00
C22 H42 N6 O4	1.00	1.00	24523.00	1.00	1.00	1.00	14014.00	14108.00	1.00	1.00	1.00	1.00	17942.00	14840.00	1.00	1.00	1.00	24515.00	12340.00	1.00	13448.00	1.00	1.00	1.00	14062.00	12590.00	30054.00	1.00	14620.00	23132.00
C5 H13 N5 O2 S	1.00	21720.00	26053.00	14517.00	23919.00	18294.00	36749.00	1.00	20757.00	1.00	1.00	21022.00	12364.00	1.00	27818.00	1.00	22582.00	36515.00	16089.00	22238.00	1.00	16940.00	18026.00	16667.00	30642.00	28574.00	25840.00	19827.00	1.00	13552.00
C3 H10 Cl2 N8 S	169102.00	182683.00	179697.00	148746.00	181945.00	160471.00	197233.00	236616.00	125595.00	247813.00	153763.00	120105.00	1.00	185532.00	171160.00	89978.00	180649.00	134142.00	133036.00	173826.00	148498.00	166008.00	140777.00	126137.00	123347.00	155859.00	146298.00	216923.00	206686.00	1.00
C6 H O8 S Esi-2.0289996 :1	244098.00	181627.00	149405.00	138937.00	145212.00	201035.00	172051.00	137774.00	198712.00	134462.00	207073.00	190266.00	184284.00	133132.00	153338.00	177672.00	194025.00	174663.00	148811.00	158166.00	144430.00	165957.00	186656.00	136796.00	161480.00	150191.00	120691.00	165244.00	149626.00	165824.00
C29 H63 N29	17771.00	27150.00	28279.00	16848.00	18288.00	18297.00	21969.00	21393.00	26323.00	33745.00	16498.00	22268.00	37519.00	25209.00	16780.00	22861.00	22996.00	27425.00	19213.00	1.00	24411.00	20453.00	18743.00	23174.00	17539.00	21301.00	18474.00	26375.00	24269.00	13450.00
C33 H48 N10 O2	12841.00	36503.00	23819.00	1.00	12962.00	9207.00	32328.00	15714.00	30506.00	16425.00	11225.00	15500.00	11504.00	14049.00	34779.00	29749.00	9512.00	26598.00	1.00	14443.00	25607.00	18181.00	22051.00	17314.00	27440.00	29342.00	19693.00	1.00	15867.00	12591.00
C5 H10 N2 O9	183437.00	274928.00	109666.00	123413.00	130251.00	208283.00	247920.00	165096.00	94814.00	174472.00	131900.00	108137.00	133182.00	210157.00	232276.00	223924.00	259662.00	110207.00	132688.00	283136.00	175428.00	140550.00	112875.00	178127.00	207739.00	229899.00	216559.00	169809.00	229539.00	121700.00
C4 H6 N3 O4 Esi-5.2290025	319737.00	329608.00	236804.00	294618.00	272967.00	211273.00	298801.00	204211.00	245269.00	320664.00	239905.00	225749.00	365908.00	301828.00	244784.00	364290.00	223414.00	250691.00	196378.00	303631.00	297563.00	369152.00	295911.00	229042.00	286670.00	274159.00	246111.00	210785.00	274518.00	289451.00
C14 H20 N2 O5	1.00	1.00	11696.00	13101.00	11763.00	15098.00	1.00	1.00	24908.00	10403.00	15822.00	11799.00	16764.00	1.00	17396.00	19535.00	26380.00	14135.00	13859.00	1.00	11535.00	1.00	24802.00	29491.00	31069.00	33298.00	31365.00	10874.00	1.00	9219.00
C4 H2 N2 O4	29671.00	24660.00	29661.00	19690.00	20118.00	22369.00	37386.00	32502.00	13361.00	30221.00	19808.00	1.00	15087.00	22657.00	24453.00	22646.00	23676.00	21248.00	14167.00	25556.00	15812.00	20211.00	19404.00	17921.00	16914.00	19347.00	14715.00	23556.00	27158.00	30057.00
C17 H26 O4 Esi-1.0580002 :1	482272.00	72005.00	70620.00	73390.00	455817.00	547730.00	67401.00	71051.00	47334.00	49109.00	467006.00	78057.00	58659.00	59774.00	68287.00	332712.00	408191.00	73462.00	77201.00	81378.00	76196.00	378336.00	65094.00	72852.00	389100.00	52792.00	66120.00	75833.00	381741.00	52025.00
C8 H14 O4 S Esi-2.7799995	145245.00	543526.00	310599.00	158817.00	309709.00	139227.00	174187.00	192417.00	144436.00	187817.00	147187.00	256082.00	410864.00	581856.00	146853.00	177149.00	161294.00	270941.00	139742.00	556539.00	154263.00	544051.00	493997.00	117224.00	139089.00	573520.00	131339.00	197243.00	183322.00	476804.00
C4 H N3 O4 S	29377.00	28026.00	28416.00	28086.00	29754.00	28401.00	27948.00	18597.00	29035.00	28855.00	21672.00	20125.00	26331.00	28939.00	28265.00	33282.00	11177.00	24589.00	31241.00	32777.00	23082.00	26883.00	25902.00	25666.00	18971.00	26202.00	21203.00	31689.00	30563.00	25421.00
C8 H5 N4 O3 S2	10303.00	1.00	16853.00	1.00	10500.00	24386.00	1.00	13056.00	1.00	1.00	22616.00	12618.00	1.00	1.00	17368.00	24205.00	1.00	14567.00	1.00	1.00	1.00	32192.00	1.00	29596.00	1.00	16611.00	1.00	14190.00	1.00	1.00
C21 H4 N2	47508.00	66441.00	28989.00	16391.00	38748.00	49487.00	36411.00	36556.00	1.00	51013.00	61705.00	38106.00	44685.00	39940.00	53056.00	69896.00	57829.00	66024.00	42028.00	63856.00	58303.00	67635.00	65827.00	46192.00	72292.00	76008.00	40179.00	40629.00	55606.00	50510.00
C6 H12 O3	28502.00	32780.00	20542.00	18887.00	21599.00	23288.00	26366.00	1.00	21033.00	18728.00	14449.00	1.00	20521.00	25794.00	23963.00	13227.00	1.00	17975.00	33281.00	19058.00	1.00	16361.00	16849.00	14114.00	1.00	12222.00	12764.00	15264.00	21719.00	18618.00
C5 H9 N7 O2	14221.00	24406.00	27192.00	10812.00	25852.00	22648.00	20196.00	26977.00	22606.00	18454.00	16550.00	26346.00	21741.00	15627.00	35631.00	26106.00	19725.00	22595.00	13423.00	29084.00	15410.00	19543.00	20623.00	21387.00	15579.00	28192.00	16147.00	24489.00	16943.00	33235.00
C6 H14 N2 O9	13186.00	26084.00	12752.00	17932.00	33327.00	26486.00	15377.00	1.00	1.00	1.00	1.00	1.00	12443.00	34697.00	1.00	1.00	1.00	1.00	18720.00	1.00	1.00	32361.00	1.00	1.00	1.00	20816.00	1.00	22702.00	20056.00	1.00
C32 H16 N15 O3	1.00	1.00	13309.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C6 H11 N O3	34075.00	1.00	18451.00	24644.00	1.00	1.00	1.00	1.00	11409.00	10821.00	21493.00	1.00	1.00	1.00	13019.00	17029.00	15345.00	10752.00	1.00	25908.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10380.00
C50 H87 N2 O9 S2	19009.00	22054.00	24724.00	22650.00	20917.00	19219.00	30470.00	19124.00	32003.00	26957.00	18203.00	21651.00	22749.00	19621.00	24662.00	18739.00	22351.00	27822.00	24913.00	21167.00	21327.00	15186.00	24668.00	27175.00	19926.00	24156.00	17177.00	21762.00	19648.00	21898.00
C7 H6 O3 Esi-1.3940006 :1	45087.00	74740.00	40747.00	33820.00	48629.00	82334.00	41618.00	1.00	39560.00	72278.00	51448.00	48337.00	57326.00	2289209.00	83007.00	48116.00	60481.00	56549.00	2004477.00	34082.00	36080.00	113901.00	162229.00	1.00	61751.00	63145.00	37456.00	2370328.00	46420.00	37436.00
C14 H13 N6 O11 S	27292.00	24646.00	27633.00	26173.00	24915.00	23044.00	24975.00	30443.00	24976.00	27601.00	27750.00	28331.00	16749.00	19221.00	30084.00	30867.00	25175.00	31967.00	25662.00	29496.00	27426.00	21625.00	29456.00	29202.00	29804.00	23416.00	27758.00	27347.00	27701.00	31630.00
C5 H7 N4 O4 Esi-6.638	23804.00	67664.00	27835.00	24135.00	89529.00	23347.00	30023.00	52550.00	58757.00	89677.00	32958.00	57029.00	30969.00	1.00	51637.00	24681.00	100057.00	95798.00	34452.00	174306.00	22519.00	69285.00	109536.00	84924.00	19212.00	82243.00	27872.00	84036.00	27496.00	94400.00
C27 H13 N5 O25 Esi-9.781	1.00	1.00	10178.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	23111.00	1.00	16195.00	1.00	1.00	1.00	17709.00	1.00	1.00	1.00	1.00	1.00
C5 H17 N4 O3 S2	32218.00	1.00	43533.00	1.00	1.00	1.00	1.00	1.00	1.00	24623.00	1.00	1.00	1.00	1.00	1.00	24509.00	1.00	1.00	31890.00	1.00	1.00	27862.00	1.00	1.00	29633.00	1.00	1.00	1.00	1.00	30539.00
C4 H4 N3 S3	129047.00	175075.00	321216.00	149730.00	134687.00	1.00	1.00	210335.00	1.00	1.00	160352.00	143158.00	231966.00	1.00	1.00	1.00	1.00	1.00	191321.00	168176.00	241907.00	1.00	222366.00	189365.00	218132.00	1.00	91133.00	319842.00	1.00	1.00
C32 H20 N6 O29 S Esi-9.37	1.00	1.00	20932.00	1.00	1.00	1.00	1.00	1.00	19163.00	34140.00	10761.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C14 H N S2 Esi-1.532	43062.00	19055.00	22029.00	1.00	18490.00	25051.00	18869.00	18222.00	19608.00	24156.00	1.00	15905.00	15022.00	1.00	16410.00	30813.00	18920.00	37799.00	23093.00	16940.00	1.00	1.00	19058.00	59936.00	13929.00	21271.00	1.00	25150.00	13007.00	16541.00
C6 H8 Cl Esi-4.103	22488.00	1.00	97299.00	41370.00	56842.00	1.00	1.00	240585.00	1.00	17561.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	93209.00	58718.00	69284.00	1.00	1.00	1.00	119416.00	81471.00	1.00	145864.00	1.00	1.00	1.00
C28 H56 N9 O	1.00	25768.00	14044.00	1.00	1.00	1.00	21245.00	1.00	18690.00	1.00	15713.00	1.00	1.00	1.00	13439.00	1.00	1.00	24263.00	14226.00	1.00	13879.00	27582.00	1.00	11077.00	9435.00	1.00	13862.00	12079.00	13358.00	15413.00
C25 H44 N3 O3 Esi-1.0739998	17638.00	25275.00	57751.00	26294.00	34953.00	26582.00	51350.00	36268.00	44670.00	1.00	32146.00	35289.00	46947.00	46688.00	41863.00	39306.00	1.00	68657.00	40136.00	27163.00	41704.00	39547.00	36889.00	43407.00	52048.00	59373.00	68813.00	36900.00	48693.00	74709.00
C25 H42 N3 O3	1.00	1.00	20736.00	15457.00	1.00	1.00	17437.00	12370.00	14543.00	1.00	17311.00	12584.00	11777.00	13452.00	13793.00	1.00	1.00	24090.00	1.00	12957.00	19753.00	11545.00	9456.00	10785.00	14695.00	1.00	20953.00	10585.00	15238.00	26606.00
C6 H3 O6 S Esi-2.8349993	74552.00	54103.00	59329.00	67058.00	68085.00	61339.00	89323.00	79503.00	45134.00	87593.00	33993.00	61194.00	83593.00	82993.00	94096.00	112339.00	80370.00	44553.00	76297.00	65841.00	87959.00	70711.00	70054.00	33028.00	64658.00	69116.00	41165.00	70214.00	74202.00	61987.00
C4 H8 N3 S Esi-3.623	1.00	1.00	66128.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	167563.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	104996.00	1.00	1.00	69603.00	58265.00	1.00	1.00	80143.00	1.00	1.00
Linoleic acid Esi-1.0599996	85045.00	284855.00	302960.00	190345.00	217483.00	335997.00	238285.00	196780.00	216103.00	171829.00	122118.00	252790.00	315134.00	215554.00	266880.00	210563.00	152692.00	188014.00	446053.00	288433.00	198875.00	203431.00	117435.00	243976.00	162087.00	283711.00	188097.00	350721.00	264489.00	267007.00
C16 H30 O2	1.00	17694.00	13973.00	1.00	1.00	11408.00	13251.00	10245.00	19209.00	1.00	1.00	22632.00	22801.00	16090.00	15279.00	17041.00	1.00	19835.00	21845.00	30182.00	1.00	18272.00	13962.00	22306.00	18940.00	17686.00	12607.00	24269.00	15900.00	19280.00
C28 H52 N9 O3	1.00	1.00	20810.00	1.00	13052.00	1.00	20835.00	13000.00	24017.00	1.00	13950.00	11881.00	16182.00	20671.00	20778.00	19890.00	1.00	29813.00	13099.00	1.00	16158.00	15013.00	20122.00	16019.00	31407.00	28457.00	33631.00	15284.00	23730.00	31043.00
C23 H30 N16	16460.00	35018.00	27958.00	23327.00	27588.00	22732.00	26700.00	26346.00	28038.00	19046.00	20449.00	24828.00	29186.00	25196.00	33443.00	22532.00	18647.00	26351.00	19965.00	22847.00	26253.00	26551.00	22236.00	27193.00	22946.00	22479.00	26155.00	21242.00	24094.00	25133.00
C9 H16 O4	1.00	1.00	16830.00	1.00	15745.00	15992.00	1.00	1.00	1.00	34519.00	17445.00	19591.00	1.00	18105.00	18857.00	15901.00	1.00	20407.00	17682.00	18862.00	26073.00	22973.00	15948.00	1.00	1.00	1.00	14582.00	1.00	17732.00	16738.00
C46 H18 N11 O12	1.00	1.00	10315.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C15 H22 O3 Esi-1.1229997	67096.00	72662.00	73112.00	65163.00	97311.00	53925.00	76149.00	70952.00	45877.00	78841.00	53853.00	48440.00	81157.00	72126.00	65570.00	48576.00	62814.00	59947.00	53918.00	83460.00	58469.00	26655.00	64186.00	47519.00	64968.00	57337.00	51498.00	42942.00	56331.00	52380.00
C5 H4 N4 O4 Esi-2.5540004	31934.00	10648.00	26840.00	73461.00	1.00	1.00	17458.00	1.00	87062.00	18724.00	18355.00	18208.00	1.00	13363.00	90259.00	1.00	1.00	13718.00	1.00	14417.00	13819.00	15452.00	30788.00	1.00	37211.00	1.00	20699.00	100403.00	19107.00	104339.00
C3 H3 N4 O5 Esi-4.0380015	46026.00	142947.00	283727.00	123841.00	138141.00	20111.00	567249.00	210912.00	395764.00	31043.00	137272.00	120247.00	230694.00	1.00	1.00	1.00	649394.00	252742.00	191729.00	1.00	272283.00	1.00	255980.00	284084.00	142130.00	1.00	180083.00	109806.00	1.00	1.00
C5 H9 N7 O2 Esi-5.966002	16514.00	15500.00	20088.00	10812.00	17388.00	18593.00	12636.00	25498.00	12175.00	28379.00	16550.00	19187.00	14011.00	12242.00	19071.00	26106.00	13508.00	15878.00	13322.00	23350.00	13486.00	17160.00	20239.00	15124.00	11772.00	18569.00	11739.00	18165.00	14907.00	31930.00
C42 H61 N13	19959.00	1.00	33076.00	10960.00	14017.00	18517.00	16217.00	17969.00	19362.00	21730.00	1.00	13397.00	14255.00	16329.00	17827.00	18584.00	1.00	21095.00	17549.00	22927.00	25079.00	15903.00	13798.00	16521.00	9883.00	13846.00	13180.00	12938.00	19591.00	17019.00
C14 H24 N3 O2 S Esi-2.048	29289.00	26114.00	31716.00	29146.00	29408.00	34121.00	25433.00	16465.00	33298.00	26950.00	27489.00	31838.00	33496.00	1.00	30523.00	29276.00	30249.00	33707.00	27412.00	28956.00	26412.00	30221.00	29535.00	24896.00	25111.00	35882.00	29394.00	27855.00	27117.00	27786.00
C9 H9 N O4 S	1.00	1.00	25128.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11834.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	29844.00	1.00	1.00	1.00
C14 H30 N6 O2	13247.00	21079.00	18876.00	11128.00	26813.00	18912.00	15269.00	1.00	1.00	15044.00	1.00	18743.00	22130.00	19742.00	22415.00	17802.00	29050.00	19672.00	26161.00	24796.00	1.00	20877.00	14673.00	1.00	14438.00	17675.00	22430.00	15494.00	17329.00	19529.00
C7 H6 O3 Esi-1.233 :1	25791.00	28891.00	16918.00	12734.00	26535.00	39520.00	23305.00	1.00	15354.00	30988.00	20096.00	30120.00	19652.00	813409.00	39444.00	26939.00	32094.00	20668.00	723262.00	1.00	21503.00	50690.00	90988.00	1.00	26233.00	27721.00	47855.00	872914.00	41575.00	18153.00
C9 H20 N13 O	69087.00	85031.00	106303.00	74226.00	73416.00	96177.00	73758.00	74491.00	87857.00	84796.00	54219.00	79291.00	89354.00	73839.00	80138.00	75838.00	66660.00	81628.00	119378.00	114125.00	70910.00	65392.00	34785.00	68118.00	64815.00	78929.00	78853.00	57516.00	84153.00	89684.00
C4 H2 O3 S2 Esi-0.9260001 :1	34747.00	41386.00	86361.00	33449.00	38618.00	43731.00	49715.00	52369.00	82689.00	37593.00	42406.00	47632.00	62119.00	49112.00	120689.00	63703.00	42498.00	1.00	50301.00	82273.00	63325.00	1.00	77948.00	61702.00	43794.00	31210.00	44523.00	45494.00	49481.00	40886.00
C7 H3 N O9 S2 Esi-2.7319994	1.00	73233.00	75369.00	1.00	78076.00	74451.00	76358.00	77113.00	80707.00	50418.00	42230.00	80716.00	1.00	76887.00	78814.00	84449.00	79140.00	79650.00	81866.00	78832.00	1.00	77975.00	83369.00	1.00	1.00	79532.00	75484.00	76763.00	1.00	1.00
C29 H61 N25 O	15216.00	11526.00	32783.00	1.00	11864.00	21814.00	16081.00	13633.00	18993.00	15395.00	1.00	11067.00	1.00	13038.00	16248.00	14208.00	1.00	19433.00	13302.00	13737.00	23421.00	12740.00	12920.00	15109.00	1.00	10835.00	1.00	1.00	19829.00	1.00
C4 H2 O3 S2 Esi-2.57 :1	65305.00	86692.00	85185.00	57736.00	66178.00	78071.00	60189.00	76398.00	85752.00	77055.00	64001.00	66231.00	68979.00	71786.00	51401.00	44852.00	57760.00	54539.00	49298.00	73344.00	54377.00	52919.00	73928.00	49212.00	41902.00	62969.00	66003.00	79644.00	64471.00	59231.00
C15 H3 N S2 Esi-2.833	121918.00	104322.00	90095.00	111436.00	98889.00	104158.00	108788.00	104178.00	93279.00	114291.00	116832.00	99035.00	106331.00	111197.00	112321.00	98780.00	101123.00	99781.00	106148.00	93501.00	107852.00	95176.00	98283.00	103229.00	92819.00	93223.00	100274.00	99610.00	1.00	95845.00
C23 H36 N O4	1.00	1.00	14440.00	1.00	1.00	1.00	13501.00	1.00	12523.00	1.00	18260.00	1.00	1.00	1.00	13842.00	1.00	1.00	26335.00	1.00	1.00	1.00	1.00	1.00	11278.00	16080.00	15340.00	27461.00	1.00	24124.00	30430.00
C26 H57 N29	1.00	1.00	11812.00	1.00	1.00	1.00	15033.00	18375.00	13872.00	1.00	1.00	12991.00	32281.00	1.00	1.00	16059.00	15682.00	15900.00	1.00	11731.00	10436.00	1.00	10795.00	19108.00	13559.00	1.00	1.00	1.00	1.00	19550.00
PS(19:0/0:0)	1.00	1.00	13444.00	1.00	1.00	1.00	12283.00	1.00	18713.00	1.00	1.00	13817.00	1.00	1.00	1.00	15453.00	25239.00	17940.00	1.00	24228.00	1.00	1.00	12873.00	16603.00	15094.00	1.00	1.00	13682.00	1.00	11654.00
C16 H3 N O4	49357.00	43299.00	36519.00	35566.00	41114.00	39838.00	36260.00	1.00	35188.00	35588.00	26432.00	28011.00	30693.00	38464.00	44006.00	37280.00	1.00	1.00	43994.00	42566.00	28069.00	39543.00	1.00	37355.00	1.00	36892.00	1.00	42846.00	38556.00	41411.00
C24 H12 N6 O10 S2	20595.00	1.00	27787.00	1.00	1.00	19500.00	1.00	23589.00	1.00	10733.00	16860.00	1.00	1.00	25717.00	20464.00	1.00	1.00	11714.00	1.00	1.00	1.00	1.00	1.00	1.00	20224.00	1.00	1.00	1.00	1.00	1.00
C6 H6 N3 O9 Esi-2.288001	148196.00	151625.00	149365.00	139839.00	155018.00	141607.00	164204.00	185787.00	124008.00	193160.00	133277.00	118547.00	122292.00	171926.00	154315.00	152078.00	163692.00	126964.00	129564.00	162666.00	135223.00	158476.00	139076.00	133418.00	128634.00	149051.00	145644.00	185927.00	177797.00	128311.00
C22 H26 N2 O5	10676.00	16011.00	20426.00	18307.00	1.00	1.00	11084.00	1.00	9079.00	1.00	24358.00	16693.00	27266.00	1.00	1.00	1.00	1.00	11563.00	1.00	10687.00	14311.00	1.00	1.00	23419.00	22983.00	1.00	9294.00	1.00	1.00	17924.00
C7 H15 N3 O9 Esi-3.514	1.00	1.00	13288.00	1.00	1.00	14086.00	1.00	1.00	1.00	1.00	21467.00	15893.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13423.00	16689.00
2,3-Dimethylsuccinic acid	31394.00	1.00	14662.00	1.00	1.00	17417.00	12532.00	1.00	14803.00	1.00	14449.00	12316.00	13027.00	1.00	16604.00	1.00	13229.00	1.00	1.00	17068.00	1.00	1.00	12935.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C33 H34 N4	23216.00	27023.00	31052.00	23286.00	21534.00	24115.00	19572.00	26451.00	41025.00	27235.00	17140.00	18861.00	33240.00	17264.00	23057.00	20444.00	21815.00	14472.00	19720.00	23064.00	19402.00	12041.00	19332.00	20171.00	19686.00	17800.00	16457.00	17076.00	18161.00	22450.00
C12 H22 O2	25784.00	24349.00	17209.00	1.00	1.00	1.00	28092.00	27052.00	1.00	1.00	1.00	1.00	13620.00	37318.00	1.00	1.00	1.00	15803.00	1.00	1.00	1.00	1.00	1.00	1.00	12291.00	15112.00	17841.00	1.00	1.00	15138.00
C17 H25 N O4	12760.00	16198.00	9158.00	11551.00	1.00	1.00	16234.00	21467.00	1.00	11432.00	1.00	1.00	12316.00	25578.00	1.00	1.00	8985.00	8680.00	1.00	11423.00	8977.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C4 H8 O3 S Esi-2.8399992	219869.00	16002.00	117980.00	17448.00	116346.00	17877.00	22244.00	15928.00	93438.00	47342.00	165070.00	110468.00	136347.00	29616.00	199458.00	22342.00	144742.00	108476.00	17927.00	121944.00	88742.00	158768.00	8080.00	146452.00	179422.00	14557.00	175431.00	25472.00	231818.00	123177.00
C7 H5 N O7	20372.00	1.00	11375.00	1.00	1.00	1.00	1.00	26533.00	1.00	10016.00	13575.00	1.00	1.00	1.00	1.00	1.00	13139.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C4 H2 N2 O2 S Esi-2.437	60688.00	123264.00	117985.00	120948.00	128765.00	126278.00	1.00	1.00	122321.00	1.00	118373.00	1.00	118574.00	119850.00	125521.00	54551.00	128177.00	122956.00	125922.00	122758.00	131732.00	54942.00	126430.00	125335.00	120474.00	129477.00	72160.00	130803.00	119084.00	129095.00
C20 H20 N O7 Esi-2.7449992	62793.00	38006.00	41810.00	51234.00	38747.00	41928.00	58197.00	56540.00	1.00	76657.00	72850.00	1.00	42254.00	66916.00	51131.00	1.00	41744.00	1.00	39866.00	36272.00	58203.00	46749.00	1.00	41192.00	1.00	1.00	39107.00	51816.00	82712.00	1.00
C24 H50 N3 O2	1.00	1.00	11473.00	1.00	1.00	1.00	10248.00	1.00	11131.00	1.00	1.00	1.00	1.00	1.00	9182.00	1.00	1.00	1.00	9843.00	1.00	1.00	1.00	1.00	1.00	14047.00	25325.00	1.00	1.00	10274.00	1.00
C5 H O6 S Esi-1.6689998	57234.00	16959.00	20724.00	11435.00	13418.00	15889.00	25744.00	19582.00	21527.00	25629.00	19607.00	18007.00	20174.00	26125.00	28216.00	24745.00	13945.00	65160.00	21583.00	29850.00	22568.00	18451.00	24862.00	1.00	25607.00	24062.00	36407.00	22006.00	17019.00	37294.00
C18 H30 O3 S Esi-2.556	20195.00	18621.00	25291.00	21256.00	20711.00	20733.00	20276.00	20557.00	29113.00	23524.00	23047.00	22495.00	25457.00	19678.00	18640.00	24273.00	24370.00	23752.00	19777.00	25482.00	20468.00	23842.00	26864.00	21728.00	18712.00	21618.00	25665.00	18986.00	13175.00	26099.00
C8 H5 O7 S Esi-4.158999	1610245.00	2124775.00	176909.00	1830347.00	2040531.00	1.00	1.00	2531842.00	736723.00	1516404.00	1886998.00	899044.00	858238.00	1.00	1.00	1.00	1396558.00	674703.00	2225366.00	458997.00	98952.00	1.00	70866.00	1.00	2714133.00	1355001.00	2145343.00	747126.00	1.00	1.00
C4 H6 O2 Esi-2.8389997	501798.00	289179.00	298933.00	454911.00	331894.00	390313.00	424770.00	376691.00	313355.00	445325.00	685920.00	326270.00	424271.00	504203.00	413680.00	348668.00	368027.00	183881.00	436543.00	332930.00	576207.00	373602.00	335774.00	467543.00	346433.00	338129.00	370696.00	377160.00	561843.00	348315.00
C14 H36 N19	12517.00	19548.00	34795.00	17202.00	24171.00	16780.00	26475.00	22172.00	35435.00	1.00	22093.00	26024.00	30780.00	32636.00	33572.00	24429.00	1.00	34312.00	25326.00	17727.00	23765.00	31315.00	27989.00	24611.00	30736.00	31284.00	44734.00	22867.00	31565.00	44775.00
C4 H6 O2 S	29268.00	35592.00	52586.00	41034.00	43693.00	37141.00	64748.00	46627.00	35461.00	52244.00	54317.00	53263.00	64033.00	44220.00	45343.00	41840.00	33417.00	33110.00	39803.00	71657.00	51796.00	73613.00	66397.00	63751.00	33921.00	59682.00	41939.00	47611.00	39448.00	54577.00
C3 H6 N3 S Esi-6.2040005	23353.00	31622.00	48927.00	32519.00	1.00	1.00	26716.00	42614.00	1.00	1.00	1.00	31419.00	38792.00	1.00	32054.00	1.00	57715.00	19652.00	37509.00	1.00	59100.00	1.00	1.00	31010.00	61500.00	1.00	1.00	69152.00	49632.00	29386.00
C19 H31 Cl2 N9 S	14789.00	14272.00	12730.00	11176.00	11606.00	10125.00	14335.00	13154.00	16833.00	11924.00	17112.00	16041.00	15689.00	22984.00	15389.00	17733.00	1.00	17168.00	14608.00	18212.00	17543.00	17762.00	18932.00	23946.00	22741.00	21154.00	19488.00	13240.00	16046.00	18826.00
C21 H8 N9 O2 Esi-2.7568	96147.00	98698.00	94266.00	98963.00	98141.00	100856.00	108381.00	83050.00	110812.00	102699.00	116469.00	83843.00	117796.00	109068.00	114284.00	107904.00	118459.00	112973.00	106681.00	106025.00	113429.00	105481.00	95840.00	113192.00	127266.00	33703.00	104487.00	117047.00	98628.00	93993.00
C14 H N S2 Esi-1.059 :1	40814.00	64756.00	51762.00	42485.00	55919.00	90757.00	60343.00	46930.00	61243.00	6945.00	46435.00	54956.00	63051.00	45530.00	74037.00	51250.00	17431.00	39453.00	54479.00	61324.00	46356.00	44717.00	35509.00	46205.00	50077.00	55062.00	43756.00	79500.00	46515.00	50669.00
C16 H30 N3 O2	1.00	27011.00	18791.00	1.00	15257.00	23151.00	1.00	18062.00	1.00	1.00	16264.00	17553.00	25825.00	1.00	17096.00	1.00	18657.00	1.00	30393.00	26343.00	1.00	14051.00	1.00	15125.00	14250.00	15381.00	1.00	21150.00	15703.00	20609.00
C4 H2 O3 S2 Esi-7.6979985 :1	63011.00	137217.00	74170.00	90443.00	72984.00	91291.00	74404.00	88936.00	91510.00	108867.00	103070.00	79468.00	104441.00	113342.00	85340.00	82217.00	88868.00	78918.00	102003.00	85650.00	124267.00	79291.00	90587.00	96830.00	93663.00	84447.00	117135.00	69819.00	80883.00	94227.00
C3 H3 N3 O Esi-1.4239999	26696.00	19495.00	25621.00	17171.00	81522.00	40721.00	19667.00	94530.00	24646.00	21837.00	14283.00	17072.00	23646.00	27862.00	58932.00	21812.00	14679.00	29460.00	49286.00	36034.00	40359.00	54388.00	20178.00	21240.00	18489.00	55178.00	15343.00	54180.00	19158.00	31613.00
C10 H7 N O6	1.00	1.00	20440.00	1.00	17357.00	12263.00	13574.00	1.00	28423.00	1.00	16389.00	18412.00	1.00	1.00	1.00	1.00	1.00	21774.00	16181.00	13619.00	12683.00	11850.00	13079.00	23565.00	12897.00	14544.00	1.00	12757.00	1.00	1.00
C37 H46 O	1.00	1.00	30261.00	1.00	1.00	1.00	22677.00	19898.00	17131.00	1.00	1.00	1.00	23025.00	20688.00	23913.00	1.00	1.00	34339.00	1.00	1.00	18114.00	17932.00	19244.00	19636.00	23760.00	25311.00	35119.00	1.00	21621.00	33091.00
C12 H3 N O7	15903.00	1.00	30071.00	1.00	1.00	16898.00	1.00	23201.00	14751.00	19958.00	21778.00	15117.00	1.00	27875.00	24869.00	18478.00	1.00	18875.00	21877.00	1.00	19520.00	19688.00	21074.00	18202.00	26990.00	1.00	21565.00	20599.00	15735.00	1.00
C16 H26 O3 S Esi-1.0650004	30717.00	47119.00	39669.00	33203.00	31901.00	46593.00	40007.00	37850.00	45047.00	40631.00	23498.00	42983.00	44747.00	37399.00	39756.00	36267.00	27745.00	41078.00	63432.00	51135.00	36025.00	35400.00	27757.00	35403.00	43524.00	39647.00	32500.00	60379.00	39758.00	52064.00
C24 H48 N3 O4	1.00	1.00	28242.00	1.00	1.00	1.00	42767.00	15382.00	21721.00	1.00	1.00	1.00	22074.00	21151.00	21417.00	1.00	1.00	36789.00	1.00	1.00	16065.00	1.00	16272.00	22809.00	27596.00	23026.00	32683.00	1.00	20824.00	32027.00
C9 H2 N2 O5 S Esi-5.6089993	651943.00	673717.00	634662.00	665202.00	704630.00	684349.00	672047.00	672363.00	656833.00	669408.00	631631.00	659741.00	636225.00	693668.00	692696.00	668803.00	726953.00	706710.00	716058.00	675951.00	695797.00	669268.00	676323.00	704624.00	714373.00	730720.00	697269.00	708372.00	646525.00	14384.00
C14 H12 N6 O3	1.00	10665.00	9155.00	9436.00	9876.00	10525.00	1.00	1.00	12634.00	14735.00	1.00	19104.00	20042.00	1.00	9576.00	13564.00	22123.00	15937.00	26211.00	1.00	17444.00	13016.00	16075.00	17510.00	14451.00	18772.00	16854.00	12914.00	13790.00	15929.00
C12 H32 N12 O4	17535.00	15669.00	14880.00	12409.00	16896.00	15233.00	15222.00	13936.00	16104.00	10944.00	12954.00	9822.00	12479.00	10978.00	14785.00	14397.00	17586.00	16532.00	17359.00	13352.00	16607.00	16652.00	13553.00	9729.00	23671.00	21367.00	22536.00	22941.00	23828.00	23912.00
C8 H15 Cl N7 S	73922.00	140530.00	46697.00	93664.00	189427.00	164464.00	86213.00	1.00	1.00	61329.00	1.00	1.00	62445.00	230303.00	54486.00	39987.00	1.00	1.00	104950.00	60514.00	31533.00	171707.00	1.00	1.00	1.00	108529.00	1.00	121046.00	122029.00	39404.00
C10 H26 N6 O2 S	26422.00	1.00	21650.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	21839.00	1.00	26256.00	23456.00	1.00	1.00	24740.00	1.00	33196.00	31356.00	1.00	1.00	1.00	23558.00	1.00	26626.00	21794.00	49505.00	1.00
C24 H50 N6 O4	1.00	1.00	12912.00	1.00	1.00	1.00	14542.00	1.00	11180.00	1.00	1.00	1.00	1.00	15884.00	16166.00	11804.00	1.00	21490.00	1.00	1.00	1.00	1.00	13303.00	14901.00	18248.00	14115.00	22597.00	1.00	10842.00	16344.00
C15 H2 O17 Esi-4.932999	174193.00	157286.00	128830.00	81284.00	110088.00	83716.00	181444.00	1.00	87779.00	115423.00	106847.00	148776.00	141515.00	78846.00	1.00	1.00	1.00	110059.00	100566.00	82823.00	131208.00	1.00	130910.00	103823.00	1.00	96426.00	86294.00	1.00	1.00	94586.00
C11 H8 N S	243129.00	158899.00	180615.00	136985.00	110882.00	139624.00	170480.00	178799.00	178593.00	187173.00	150675.00	127038.00	80688.00	137145.00	190148.00	202721.00	128232.00	224323.00	139514.00	241372.00	125334.00	137650.00	175413.00	192077.00	178321.00	134030.00	140161.00	154293.00	145284.00	271191.00
C20 H20 N O7 Esi-2.7449992 :1	62793.00	38006.00	41810.00	51229.00	38747.00	41928.00	58197.00	56540.00	1.00	76657.00	72850.00	1.00	42254.00	66916.00	51131.00	1.00	41744.00	1.00	39866.00	36272.00	58203.00	46749.00	1.00	41192.00	1.00	1.00	39107.00	51816.00	82712.00	1.00
C28 H46 N6 O3	1.00	17082.00	21263.00	1.00	12429.00	1.00	19767.00	13037.00	19196.00	1.00	16852.00	12243.00	12905.00	18353.00	23575.00	13194.00	1.00	29431.00	12088.00	1.00	15893.00	23610.00	15313.00	18242.00	22840.00	15914.00	28617.00	11806.00	20164.00	22943.00
C22 H6	1.00	15547.00	16995.00	1.00	18771.00	1.00	23687.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	17456.00	1.00	15011.00	1.00	1.00	15187.00	1.00	12316.00	1.00	1.00	1.00	15798.00	14481.00	17398.00	1.00	1.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate	1.00	1.00	15573.00	91388.00	13914.00	1.00	10992.00	1.00	34062.00	1.00	1.00	1.00	1.00	1.00	23838.00	1.00	1.00	1.00	1.00	18765.00	32272.00	1.00	1.00	20454.00	1.00	13325.00	19109.00	1.00	1.00	25857.00
C14 H22 O2	29636.00	27531.00	25663.00	19121.00	24128.00	25401.00	29288.00	27775.00	24601.00	33078.00	23160.00	28871.00	19305.00	26678.00	24158.00	23070.00	25516.00	27602.00	25222.00	24945.00	20464.00	26327.00	21511.00	23765.00	20261.00	20864.00	17495.00	16542.00	19290.00	25939.00
C29 H15 N2 O26 Esi-5.184	1.00	1.00	106072.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	22457.00	1.00	1.00	18476.00	20077.00	1.00	1.00	20057.00	1.00	1.00	1.00	1.00	1.00
C5 H O6 S Esi-2.0289996 :1	106090.00	53137.00	70733.00	51083.00	49149.00	61268.00	56706.00	46383.00	69680.00	41504.00	73205.00	74813.00	56411.00	65273.00	60507.00	66622.00	60171.00	80699.00	52527.00	58859.00	51438.00	55558.00	70105.00	53260.00	61165.00	75775.00	47625.00	44352.00	40179.00	68373.00
C5 H7 N6 O3	1.00	1.00	27137.00	32003.00	1.00	1.00	12973.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10246.00	1.00	1.00	1.00	12966.00	1.00	1.00	1.00	1.00	1.00	11586.00	1.00	1.00	1.00	1.00
C9 H13 O7	1.00	19332.00	22146.00	17204.00	16893.00	21101.00	18197.00	18986.00	23860.00	18397.00	15451.00	21872.00	19573.00	15754.00	25961.00	16614.00	17608.00	19010.00	14983.00	25938.00	1.00	16268.00	25305.00	25954.00	16685.00	20663.00	25148.00	20418.00	1.00	26501.00
C3 H6 O3 Esi-5.794999	10449.00	1.00	140731.00	37113.00	1.00	31427.00	1.00	30004.00	42640.00	19899.00	42259.00	1.00	22970.00	1.00	152607.00	105452.00	102616.00	19986.00	1.00	78286.00	57396.00	129082.00	1.00	24724.00	121389.00	1.00	1.00	22420.00	1.00	96438.00
C3 H3 N O2	47111.00	1.00	17303.00	39173.00	21865.00	33143.00	1.00	1.00	67553.00	1.00	35422.00	25887.00	115676.00	137117.00	22214.00	46287.00	146798.00	1.00	30457.00	27465.00	1.00	19633.00	1.00	85237.00	25612.00	177933.00	21931.00	21556.00	22186.00	1.00
C27 H9 N8	1.00	13496.00	13411.00	13456.00	11201.00	13698.00	12488.00	9621.00	13707.00	1.00	10775.00	15541.00	14721.00	17919.00	11473.00	12322.00	1.00	14382.00	17942.00	18122.00	11495.00	14770.00	11182.00	16138.00	11919.00	17023.00	12650.00	18382.00	15752.00	16413.00
C17 H7 N O	40166.00	26502.00	30401.00	34115.00	19613.00	17274.00	23822.00	20544.00	26468.00	17805.00	35077.00	28529.00	33802.00	82077.00	16914.00	79072.00	68267.00	29589.00	33213.00	39952.00	36387.00	18923.00	18852.00	36902.00	70282.00	78255.00	56569.00	23815.00	61406.00	64130.00
C4 H4 N3 O4 Esi-5.7168803	1.00	17919.00	34633.00	33878.00	55928.00	33197.00	1.00	85111.00	56655.00	25926.00	1.00	30492.00	82270.00	1.00	61183.00	70265.00	26934.00	188229.00	1.00	116684.00	62246.00	119906.00	39834.00	33256.00	21682.00	113002.00	36336.00	37231.00	46939.00	44532.00
C7 H2 N4 O8 S	42708.00	1.00	33104.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	27714.00	1.00	1.00	1.00	1.00	1.00	20541.00	1.00	1.00	1.00	1.00	1.00	35084.00
Pyrophosphate	1.00	1.00	13530.00	1.00	1.00	1.00	18397.00	1.00	12958.00	1.00	1.00	1.00	1.00	1.00	26952.00	1.00	1.00	16844.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	22703.00	1.00	14372.00	1.00
C25 H23 N3 O28	19750.00	1.00	28111.00	1.00	1.00	14835.00	1.00	21489.00	1.00	1.00	12166.00	1.00	1.00	18423.00	16027.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11095.00	1.00	1.00	1.00	1.00	1.00
Citiolone	111439.00	162528.00	54892.00	57568.00	117503.00	1.00	1.00	215737.00	267747.00	17314.00	190618.00	182190.00	222805.00	1.00	1.00	1.00	1.00	172799.00	1.00	1.00	54708.00	1.00	169665.00	1.00	1.00	1.00	387361.00	134152.00	107288.00	1.00
C20 H2 N2 O18 S Esi-5.932001	21425.00	36731.00	29620.00	35103.00	65524.00	1.00	47211.00	24721.00	50587.00	31212.00	72081.00	24981.00	15941.00	35358.00	45045.00	24256.00	71190.00	28275.00	1.00	63441.00	26907.00	26749.00	95671.00	140685.00	34269.00	24353.00	63249.00	56028.00	58514.00	1.00
C35 H68 N O5 S3	9346.00	20673.00	17477.00	1.00	1.00	1.00	23635.00	10665.00	21062.00	1.00	1.00	10331.00	1.00	11339.00	25671.00	23237.00	1.00	21303.00	1.00	1.00	19033.00	10112.00	19055.00	12321.00	22668.00	24370.00	13137.00	1.00	12085.00	1.00
C3 H6 O4	25562.00	31781.00	27074.00	1.00	75279.00	38612.00	53928.00	44860.00	44126.00	31474.00	1.00	25217.00	103477.00	1.00	24026.00	28686.00	43878.00	46437.00	29424.00	41238.00	38461.00	42902.00	77222.00	38359.00	23821.00	29010.00	24225.00	33509.00	35074.00	30204.00
C18 H30 O3 S Esi-2.8349993	157223.00	46904.00	57592.00	145185.00	60647.00	52991.00	129967.00	128453.00	106452.00	149476.00	209471.00	112304.00	146202.00	176989.00	142389.00	122679.00	123488.00	51671.00	141258.00	114124.00	88800.00	58663.00	55998.00	71287.00	112213.00	115575.00	119181.00	63919.00	169220.00	128245.00
C14 H30 N3 O2	1.00	18119.00	12539.00	1.00	1.00	12227.00	1.00	14939.00	1.00	1.00	1.00	13256.00	18592.00	1.00	11927.00	12530.00	1.00	1.00	19064.00	22931.00	1.00	1.00	1.00	15452.00	15409.00	13138.00	1.00	18325.00	1.00	24509.00
C28 H9 N9 O21 Esi-4.2745714	1.00	1.00	122202.00	1.00	1.00	30839.00	1.00	1.00	1.00	97939.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	141345.00	123501.00	18076.00	1.00	99905.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C21 H10 N6 O5 Esi-2.7439997	1.00	62108.00	68793.00	75498.00	1.00	70822.00	1.00	1.00	1.00	96726.00	19748.00	26269.00	62624.00	90557.00	77541.00	65039.00	70394.00	60053.00	1.00	64776.00	20459.00	1.00	1.00	1.00	59510.00	62539.00	66543.00	84184.00	1.00	55191.00
C29 H44 N19	1.00	27015.00	17436.00	1.00	13876.00	1.00	28861.00	13613.00	18998.00	17297.00	15241.00	1.00	1.00	1.00	19407.00	15648.00	13343.00	24514.00	11997.00	13731.00	20721.00	17291.00	13859.00	16517.00	19615.00	25443.00	15941.00	1.00	16274.00	12895.00
C15 H14 N5 O10 S	24860.00	18497.00	22966.00	18852.00	18679.00	18134.00	18431.00	20530.00	21492.00	20601.00	17408.00	20148.00	13625.00	15868.00	22705.00	22472.00	18035.00	26188.00	18785.00	26956.00	15878.00	16840.00	21944.00	22543.00	21411.00	17243.00	19259.00	22028.00	19618.00	27101.00
C10 H4 O7	20110.00	47216.00	55613.00	58778.00	72160.00	44336.00	57906.00	52027.00	51624.00	43137.00	37689.00	52993.00	59744.00	53554.00	34096.00	68157.00	61853.00	53353.00	44086.00	55291.00	60495.00	52901.00	44386.00	44875.00	53595.00	46178.00	87549.00	70256.00	66294.00	30845.00
C20 H2 N2 O18 S Esi-5.6089993	167628.00	167796.00	157730.00	167539.00	119313.00	110508.00	103805.00	102368.00	107582.00	116577.00	103320.00	173111.00	99364.00	176089.00	133882.00	180172.00	138626.00	153738.00	173320.00	123092.00	183315.00	101016.00	166661.00	178678.00	176685.00	185375.00	182369.00	126704.00	171048.00	119353.00
C14 H20 N3 O3	31679.00	34712.00	30288.00	24137.00	34116.00	25954.00	20734.00	24723.00	15122.00	30633.00	95246.00	26686.00	190527.00	23172.00	26873.00	24169.00	26422.00	25992.00	27571.00	19791.00	18811.00	21351.00	23246.00	19105.00	28947.00	24037.00	36671.00	32162.00	31511.00	31826.00
C12 H18 N14 O4	20272.00	17143.00	15952.00	14122.00	13983.00	14590.00	18230.00	13004.00	21453.00	18249.00	18601.00	16465.00	13266.00	12402.00	15788.00	19658.00	15137.00	21896.00	17404.00	15468.00	19659.00	1.00	17450.00	16321.00	14360.00	16596.00	18513.00	17583.00	22101.00	23030.00
C28 H9 N9 O21 Esi-1.2705	1.00	1.00	158184.00	1.00	1.00	1.00	1.00	1.00	172748.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	113226.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	163373.00
Sarcosine	1.00	1.00	21998.00	25336.00	1.00	1.00	12184.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C4 H6 O2 S Esi-5.7989974	29378.00	34845.00	54710.00	41331.00	66184.00	1.00	40681.00	55811.00	38199.00	53458.00	59445.00	56083.00	60866.00	50070.00	50568.00	36567.00	41861.00	56225.00	39823.00	52019.00	1.00	73392.00	66547.00	64146.00	33906.00	56272.00	46962.00	61306.00	39981.00	71347.00
C25 H50 N3 O3	1.00	10049.00	9386.00	1.00	1.00	1.00	13841.00	1.00	8762.00	1.00	1.00	10289.00	1.00	1.00	1.00	1.00	1.00	9260.00	9306.00	1.00	1.00	1.00	1.00	1.00	1.00	20674.00	1.00	1.00	12074.00	11868.00
C17 H8 O3 Esi-2.8930001	45388.00	211395.00	104390.00	41975.00	115025.00	39178.00	58471.00	261244.00	96709.00	50748.00	41888.00	177596.00	28309.00	37815.00	45567.00	73315.00	55077.00	195473.00	44380.00	216440.00	50073.00	40175.00	195941.00	49330.00	205693.00	221930.00	48298.00	267598.00	54109.00	193806.00
C27 H48 N17 O4	1.00	26675.00	17633.00	1.00	9909.00	1.00	22645.00	13680.00	17579.00	15338.00	8974.00	9482.00	1.00	1.00	21607.00	19647.00	1.00	19414.00	1.00	13557.00	18456.00	12600.00	13698.00	14218.00	14056.00	14409.00	13423.00	1.00	10500.00	1.00
C28 H12 N6 O2	1.00	1.00	9466.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C21 H46 N6 O	1.00	1.00	9193.00	1.00	1.00	1.00	1.00	1.00	10412.00	1.00	1.00	1.00	1.00	1.00	1.00	9794.00	1.00	1.00	8589.00	1.00	1.00	1.00	1.00	1.00	13050.00	26470.00	1.00	1.00	1.00	9968.00
C14 H19 N11 O	14452.00	12798.00	15084.00	14813.00	14014.00	13323.00	11567.00	13491.00	13079.00	13789.00	10711.00	15520.00	12199.00	12640.00	15377.00	14530.00	16394.00	16026.00	22234.00	17813.00	16973.00	20195.00	18264.00	15970.00	14728.00	15067.00	16019.00	17002.00	17538.00	18946.00
C10 H20 O3	1.00	26052.00	27200.00	14974.00	12220.00	16510.00	15334.00	1.00	25225.00	15515.00	1.00	12491.00	24430.00	15419.00	18208.00	16310.00	11813.00	19834.00	21931.00	20689.00	15157.00	15479.00	16960.00	14240.00	1.00	15144.00	17940.00	15702.00	21148.00	21141.00
C31 H55 N14 O	1.00	10814.00	17660.00	12321.00	11833.00	1.00	25428.00	11905.00	21069.00	1.00	21187.00	10236.00	1.00	12154.00	15037.00	14969.00	1.00	27772.00	1.00	13960.00	19114.00	21360.00	15749.00	17556.00	18938.00	15616.00	18298.00	1.00	15769.00	10748.00
C6 H7 N O11	23662.00	20571.00	24817.00	20446.00	19322.00	18641.00	19222.00	20841.00	21719.00	21507.00	21542.00	21792.00	1.00	1.00	22317.00	25602.00	18074.00	25638.00	19068.00	20019.00	19453.00	17176.00	24011.00	25112.00	22883.00	17661.00	21361.00	24518.00	21903.00	28148.00
C6 H O8 S Esi-1.5320002 :1	59128.00	74298.00	49729.00	41026.00	50022.00	49737.00	43498.00	66254.00	59264.00	66520.00	47294.00	35082.00	43684.00	36875.00	101060.00	69954.00	43624.00	95055.00	50370.00	106723.00	34319.00	41127.00	53141.00	57199.00	114083.00	42247.00	66920.00	73876.00	56278.00	82862.00
C5 H O5 S Esi-5.0989995	17680.00	42828.00	11974.00	35795.00	1.00	19712.00	18714.00	45007.00	15569.00	16946.00	40037.00	12521.00	15483.00	25433.00	24790.00	15282.00	12754.00	15797.00	20815.00	46743.00	12165.00	41345.00	9312.00	17926.00	13579.00	16200.00	47949.00	17505.00	16142.00	33924.00
C18 H N3 Esi-2.2610006	90750.00	101625.00	98197.00	85529.00	101880.00	87157.00	109977.00	144121.00	69567.00	152930.00	74782.00	20486.00	53307.00	107900.00	93270.00	82751.00	100689.00	67621.00	68473.00	100506.00	72126.00	95615.00	70888.00	66408.00	63127.00	91804.00	77679.00	132046.00	124553.00	57148.00
C27 H47 N3 O8 Esi-6.546998	9549.00	12115.00	13423.00	88434.00	9712.00	10547.00	12884.00	244727.00	19083.00	11742.00	176651.00	13844.00	260205.00	212564.00	256246.00	14355.00	13939.00	17607.00	9982.00	11419.00	10387.00	261879.00	12845.00	13860.00	14090.00	258671.00	251705.00	13239.00	10457.00	256089.00
C24 H32 N O	21867.00	12077.00	25909.00	11897.00	12912.00	24017.00	13107.00	11173.00	13274.00	1.00	13637.00	20637.00	12478.00	22522.00	23364.00	22881.00	19420.00	19685.00	14337.00	23888.00	22398.00	18235.00	12503.00	10949.00	25475.00	16342.00	27762.00	27613.00	29217.00	23205.00
C7 H6 O2	31369.00	30182.00	23590.00	30556.00	1.00	21879.00	28030.00	23166.00	21865.00	28599.00	22000.00	38796.00	32966.00	39114.00	20610.00	30088.00	18614.00	24101.00	19792.00	34312.00	23226.00	20962.00	38847.00	63051.00	34591.00	43078.00	29273.00	40234.00	21942.00	36046.00
C6 H5 O4	53652.00	34470.00	54752.00	1.00	36929.00	30787.00	36465.00	39203.00	40498.00	24306.00	1.00	14693.00	1.00	1.00	41834.00	42835.00	27223.00	61276.00	13475.00	60361.00	1.00	1.00	18998.00	18895.00	43337.00	1.00	32946.00	24053.00	37582.00	66007.00
C19 H36 N10 O	12072.00	11936.00	11835.00	10336.00	20075.00	11407.00	25725.00	11497.00	23704.00	13870.00	22203.00	10124.00	1.00	11476.00	13811.00	12203.00	16316.00	18930.00	14481.00	10630.00	12170.00	12613.00	10922.00	1.00	27315.00	15448.00	15979.00	16444.00	18534.00	26418.00
C34 H30 N O2	23252.00	22000.00	24476.00	19358.00	22276.00	19837.00	19490.00	21938.00	17656.00	12529.00	19165.00	19437.00	20236.00	21167.00	23311.00	18566.00	15040.00	21959.00	16421.00	17390.00	21556.00	20295.00	20549.00	16543.00	20475.00	20060.00	19974.00	18451.00	20184.00	21319.00
C6 Cl N3 O2 S2	15440.00	10081.00	12121.00	9402.00	1.00	10410.00	14698.00	20659.00	18966.00	22419.00	16637.00	9009.00	11380.00	15214.00	15159.00	16056.00	11207.00	16089.00	15476.00	24891.00	11003.00	14052.00	16732.00	14286.00	12584.00	16195.00	10518.00	14573.00	12301.00	17475.00
C43 H75 N3 O3	10603.00	9790.00	11600.00	13341.00	9244.00	11942.00	9284.00	17716.00	16646.00	25500.00	1.00	14397.00	19671.00	11302.00	1.00	11520.00	10680.00	14062.00	16804.00	11654.00	1.00	10749.00	10631.00	9277.00	1.00	1.00	1.00	17022.00	12072.00	9564.00
C3 H6 O4 S Esi-2.0460005	53958.00	48602.00	49223.00	50926.00	47526.00	40688.00	50422.00	19690.00	30427.00	1.00	51330.00	58850.00	54119.00	50414.00	49512.00	44697.00	50868.00	49062.00	50782.00	24450.00	48134.00	51064.00	53429.00	47003.00	54028.00	39625.00	46675.00	51463.00	47393.00	53615.00
C3 H3 Cl2 N O3 S3	26422.00	9173.00	19600.00	1.00	1.00	13560.00	11035.00	23548.00	16577.00	18360.00	18265.00	14306.00	15864.00	15642.00	15689.00	18462.00	22856.00	22662.00	13814.00	16301.00	15422.00	16233.00	18219.00	20853.00	23974.00	17700.00	1.00	18019.00	15883.00	18200.00
C4 H2 N3 O5 S	116512.00	221770.00	14061.00	96881.00	177992.00	16110.00	122177.00	11528.00	82146.00	16649.00	35299.00	13335.00	22189.00	12810.00	18272.00	75625.00	1.00	13614.00	181128.00	18252.00	10094.00	172735.00	24595.00	45192.00	23752.00	15097.00	28979.00	9808.00	132964.00	13051.00
C31 H14 N8 O19	19588.00	1.00	11836.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10033.00	1.00	1.00	15863.00	1.00	11146.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10401.00	1.00	20002.00
C6 H3 O6 S Esi-2.827	101498.00	1.00	66207.00	107830.00	99786.00	89120.00	1.00	1.00	99468.00	113808.00	134041.00	90838.00	57571.00	1.00	122312.00	1.00	98508.00	1.00	1.00	1.00	95711.00	108490.00	1.00	1.00	81837.00	99523.00	108165.00	1.00	103420.00	89369.00
C30 H65 N28 O5	18533.00	24762.00	19435.00	13817.00	14906.00	13195.00	19808.00	21913.00	19646.00	20178.00	19049.00	19130.00	24339.00	20679.00	19169.00	22328.00	24259.00	21662.00	19431.00	24113.00	19694.00	16010.00	21206.00	21164.00	19619.00	22694.00	16660.00	20407.00	18171.00	25236.00
C26 H46 N12 O	1.00	18642.00	16919.00	1.00	1.00	1.00	18167.00	1.00	22806.00	1.00	16275.00	1.00	1.00	13683.00	19500.00	11816.00	1.00	20012.00	12790.00	1.00	12162.00	25204.00	12910.00	15576.00	20299.00	1.00	24067.00	15516.00	16201.00	22320.00
10-hydroxy-2E,8E-Decadiene-4,6-diynoic acid	27944.00	1.00	177510.00	1.00	1.00	62047.00	24508.00	1.00	22311.00	26297.00	17707.00	35775.00	377256.00	143481.00	106151.00	1.00	1.00	29068.00	1.00	44501.00	24133.00	20738.00	1.00	1.00	1.00	1.00	15684.00	1.00	1.00	1.00
C13 H38 N12 O5	11990.00	1.00	15040.00	1.00	19863.00	13168.00	19297.00	12493.00	1.00	1.00	1.00	15378.00	1.00	19414.00	17455.00	1.00	1.00	12196.00	10908.00	10173.00	1.00	11715.00	13749.00	1.00	12518.00	13979.00	16436.00	15082.00	13336.00	17399.00
C4 H Cl N2	14258.00	14478.00	15251.00	13907.00	14469.00	13431.00	13898.00	13401.00	13442.00	15022.00	13168.00	14300.00	15000.00	18871.00	14453.00	14570.00	13789.00	14191.00	15264.00	13606.00	14191.00	13810.00	14024.00	17169.00	15438.00	17747.00	14694.00	13839.00	14031.00	13616.00
C3 H5 N5 O3 Esi-4.509107	69726.00	138306.00	135078.00	151988.00	75302.00	271922.00	197262.00	88219.00	366706.00	77713.00	366020.00	174572.00	468996.00	218199.00	103799.00	1.00	352196.00	155453.00	324659.00	85949.00	207789.00	1.00	146443.00	178429.00	150062.00	189875.00	131465.00	170863.00	305530.00	285008.00
C14 H N S2 Esi-1.6730002	14157.00	21956.00	21278.00	1.00	13365.00	41151.00	18869.00	18222.00	22358.00	20036.00	1.00	15384.00	15022.00	50423.00	16719.00	11325.00	20396.00	11318.00	23093.00	18548.00	1.00	1.00	13919.00	21269.00	33164.00	21387.00	1.00	27959.00	13007.00	16259.00
C5 H O6 S Esi-2.8479998 :1	399816.00	329575.00	328713.00	368422.00	365281.00	364259.00	374384.00	348057.00	379449.00	350204.00	148287.00	345628.00	371409.00	385551.00	385324.00	347195.00	392298.00	324818.00	360915.00	329243.00	389760.00	386355.00	356947.00	350920.00	328357.00	327625.00	362608.00	351946.00	358815.00	341797.00
C8 H2 O3 Esi-1.2350003	114800.00	120284.00	72478.00	105009.00	114743.00	109175.00	81157.00	133196.00	66503.00	125179.00	69147.00	101379.00	71391.00	91317.00	90187.00	89801.00	114898.00	127288.00	115612.00	114801.00	120692.00	101450.00	109804.00	109219.00	91110.00	129166.00	107259.00	90066.00	92025.00	103025.00
C25 H46 N6 O2	1.00	38777.00	50877.00	17317.00	23695.00	16998.00	45076.00	28987.00	34439.00	27108.00	22413.00	22188.00	47330.00	39201.00	42583.00	24825.00	1.00	61973.00	36807.00	39979.00	32219.00	30064.00	30883.00	33500.00	47261.00	47553.00	58910.00	1.00	38581.00	67864.00
C10 H2 N S2	1.00	16741.00	17539.00	18537.00	17183.00	20765.00	1.00	1.00	15129.00	1.00	25303.00	24324.00	16043.00	1.00	12095.00	24864.00	11954.00	12931.00	18909.00	14581.00	29656.00	16339.00	25057.00	19258.00	10452.00	13230.00	13600.00	1.00	23195.00	21162.00
C25 H17 N6	1.00	12029.00	13722.00	14308.00	10981.00	14899.00	11035.00	10063.00	12712.00	1.00	9304.00	14988.00	13683.00	13721.00	10201.00	11972.00	1.00	12372.00	18210.00	17243.00	11154.00	10634.00	10565.00	12617.00	10268.00	14106.00	11003.00	18469.00	14328.00	15894.00
C50 H84 N3 O6 S3	1.00	11863.00	9289.00	9121.00	8937.00	11399.00	10301.00	1.00	10376.00	1.00	1.00	10118.00	10835.00	11135.00	10603.00	9616.00	1.00	1.00	19410.00	12053.00	9270.00	1.00	8711.00	11200.00	1.00	11040.00	9068.00	15177.00	11135.00	13441.00
C12 H16 O3 Esi-1.1749996	175638.00	375688.00	91033.00	104723.00	273746.00	363666.00	162231.00	325401.00	73913.00	565073.00	215370.00	238171.00	242401.00	189690.00	248986.00	224064.00	790602.00	70835.00	377818.00	313440.00	267350.00	548287.00	235093.00	129007.00	203999.00	251565.00	266433.00	236443.00	387010.00	162365.00
C16 H2 Cl O S2	73951.00	73233.00	73918.00	72331.00	76105.00	73646.00	75742.00	76241.00	78870.00	50315.00	26730.00	79112.00	75630.00	76042.00	77005.00	84281.00	78287.00	79051.00	81417.00	78449.00	76252.00	77726.00	82537.00	79009.00	83420.00	79276.00	75059.00	75895.00	76186.00	81046.00
C29 H15 O5	1.00	12450.00	13919.00	14408.00	11935.00	13505.00	12767.00	11906.00	13693.00	1.00	10322.00	15275.00	15465.00	18997.00	11618.00	13235.00	1.00	14366.00	18499.00	18227.00	12108.00	14304.00	12194.00	14723.00	13432.00	17603.00	14153.00	19579.00	16179.00	16187.00
C10 H22 N13 O Esi-2.8389997	63051.00	43922.00	37763.00	53650.00	22583.00	46178.00	50155.00	46672.00	36755.00	57815.00	70347.00	45950.00	24243.00	60176.00	56391.00	43697.00	49658.00	39353.00	54697.00	40520.00	61473.00	21700.00	43685.00	59540.00	38492.00	36539.00	41722.00	48543.00	66191.00	44180.00
C9 H6 N O11	1.00	1.00	14726.00	1.00	1.00	1.00	13133.00	1.00	1.00	1.00	1.00	13955.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C8 H7 Cl2 N O6	23475.00	16416.00	19616.00	14096.00	14077.00	11967.00	15188.00	18460.00	16613.00	16610.00	12982.00	14431.00	1.00	1.00	17130.00	17637.00	1.00	21236.00	1.00	20562.00	1.00	1.00	15896.00	16184.00	15950.00	1.00	12551.00	18020.00	12616.00	22032.00
C5 H O6 S Esi-1.0599996	11917.00	46679.00	36655.00	40390.00	46777.00	36046.00	50634.00	22499.00	53757.00	14951.00	34945.00	36334.00	26714.00	32357.00	35794.00	71813.00	1.00	50408.00	75227.00	45236.00	37749.00	46388.00	23840.00	18433.00	36963.00	27055.00	25566.00	44988.00	29767.00	29895.00
C32 H32 N8	1.00	21959.00	16244.00	11307.00	15022.00	12007.00	18078.00	15184.00	17395.00	1.00	12885.00	16487.00	17770.00	13985.00	23663.00	11532.00	1.00	24143.00	11419.00	11070.00	17366.00	16788.00	13633.00	17162.00	11641.00	14324.00	19578.00	1.00	13835.00	16441.00
C23 H30 N3 O3	22815.00	26921.00	27411.00	25722.00	26194.00	10495.00	31887.00	25020.00	33038.00	29126.00	28697.00	26445.00	25358.00	25792.00	29469.00	33020.00	30592.00	24684.00	17656.00	23892.00	32203.00	20180.00	28541.00	30048.00	28383.00	30169.00	35558.00	29475.00	33018.00	29685.00
PE(P-20:0/20:5(5Z,8Z,11Z,14Z,17Z))	16765.00	1.00	25348.00	11989.00	1.00	14032.00	16991.00	1.00	24047.00	1.00	1.00	1.00	1.00	15118.00	1.00	16180.00	1.00	15697.00	1.00	1.00	17599.00	1.00	1.00	19254.00	1.00	14324.00	1.00	13399.00	17228.00	1.00
C5 H O4 S Esi-4.486	539716.00	99339.00	68001.00	240976.00	544375.00	430606.00	366253.00	765262.00	91466.00	277026.00	50570.00	55760.00	37413.00	264604.00	112874.00	1.00	289359.00	68417.00	177945.00	58714.00	51577.00	1.00	126531.00	70847.00	42404.00	523163.00	49270.00	123824.00	262461.00	347685.00
C30 H44 N18	1.00	25571.00	15330.00	11389.00	12547.00	1.00	27633.00	12869.00	19974.00	22286.00	15443.00	1.00	11775.00	1.00	22062.00	18336.00	12098.00	23989.00	1.00	16682.00	21907.00	17846.00	15898.00	17958.00	16368.00	18432.00	17458.00	1.00	19365.00	12298.00
C24 H46 N15	1.00	17430.00	24442.00	11043.00	1.00	11581.00	25171.00	12466.00	28990.00	1.00	19981.00	14219.00	15907.00	22758.00	23653.00	17220.00	1.00	34022.00	17495.00	12566.00	17551.00	25854.00	20124.00	18954.00	26870.00	20635.00	31458.00	17794.00	19327.00	28217.00
C15 H36 N13 O2	1.00	12728.00	19312.00	1.00	1.00	10570.00	16039.00	1.00	21249.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	17803.00	13988.00	25709.00	1.00	1.00	14646.00	17403.00	1.00	15744.00	20998.00	1.00	1.00	19947.00
C21 H6 N5 O3 Esi-1.0930003 :1	38501.00	33640.00	63864.00	47072.00	38440.00	58754.00	47090.00	55379.00	30208.00	40538.00	42183.00	45633.00	36174.00	32184.00	39022.00	36530.00	53854.00	35401.00	37931.00	31809.00	41562.00	73241.00	57092.00	22882.00	37298.00	46321.00	35340.00	45643.00	37014.00	45003.00
C23 H46 N9 O2 Esi-1.066	1.00	28550.00	30914.00	16242.00	23052.00	14686.00	40527.00	18919.00	32689.00	13710.00	22964.00	21679.00	18201.00	17849.00	28650.00	19304.00	1.00	50451.00	32815.00	33372.00	26314.00	23001.00	19222.00	21495.00	29608.00	36067.00	29354.00	18184.00	29080.00	34580.00
C28 H57 S3	1.00	1.00	15941.00	1.00	1.00	1.00	13115.00	1.00	13779.00	1.00	1.00	1.00	1.00	10833.00	14803.00	1.00	1.00	14978.00	1.00	1.00	10523.00	21018.00	1.00	12502.00	16226.00	12526.00	18217.00	1.00	12224.00	15551.00
C27 H55 Cl2 N O3	1.00	11911.00	16946.00	10868.00	14320.00	1.00	18265.00	13245.00	19529.00	1.00	22098.00	13562.00	12614.00	20055.00	18580.00	11239.00	1.00	23631.00	1.00	13085.00	15694.00	22293.00	13034.00	18181.00	15846.00	16133.00	25631.00	10868.00	17502.00	23544.00
C10 H14 N4 O3 Esi-2.9140007	277369.00	485514.00	171000.00	358608.00	705635.00	586467.00	340120.00	69047.00	155401.00	184939.00	52453.00	117041.00	224953.00	787366.00	222279.00	146976.00	60086.00	80684.00	368801.00	235785.00	169551.00	598577.00	96029.00	107644.00	74719.00	399937.00	73691.00	441883.00	417697.00	174162.00
C9 H16 O3	16873.00	20096.00	24682.00	20705.00	24036.00	28220.00	20170.00	13620.00	23582.00	17803.00	35677.00	19875.00	26541.00	24398.00	23395.00	21135.00	20937.00	18922.00	32256.00	20699.00	22456.00	19199.00	25219.00	20631.00	22313.00	19801.00	21439.00	23251.00	21178.00	21922.00
C29 H57 N12	15002.00	86568.00	113651.00	35937.00	62148.00	23117.00	206506.00	67070.00	131890.00	20835.00	62663.00	28848.00	28503.00	18264.00	48217.00	29664.00	12952.00	207947.00	76804.00	76496.00	138435.00	130814.00	26539.00	124174.00	82955.00	115027.00	93691.00	48343.00	67985.00	82833.00
C37 H79 N2 O9 S	1.00	18034.00	10743.00	1.00	1.00	1.00	1.00	16032.00	1.00	13465.00	1.00	1.00	1.00	1.00	1.00	21158.00	16744.00	12733.00	1.00	1.00	11319.00	9844.00	1.00	10407.00	1.00	1.00	1.00	1.00	1.00	1.00
C21 H10 N6 O5 Esi-2.7300005 :1	79635.00	62108.00	68793.00	75498.00	70565.00	70822.00	81049.00	83253.00	58177.00	96726.00	19748.00	26269.00	62624.00	90557.00	77541.00	65039.00	70394.00	60053.00	69683.00	64776.00	55005.00	72194.00	60961.00	68852.00	59510.00	62539.00	66543.00	84184.00	95358.00	55191.00
C14 H42 N11 O7 S	1.00	31403.00	24355.00	1.00	1.00	1.00	22915.00	13025.00	17900.00	1.00	15772.00	16154.00	22395.00	19815.00	29403.00	12352.00	1.00	20471.00	1.00	1.00	17580.00	26810.00	1.00	17724.00	18771.00	14729.00	23293.00	1.00	1.00	16995.00
C10 H3 N S3	30227.00	99849.00	95398.00	63873.00	1.00	1.00	8904.00	13718.00	23306.00	80644.00	1.00	118311.00	72824.00	156119.00	1.00	75330.00	57567.00	161504.00	15367.00	1.00	119255.00	22532.00	1.00	168810.00	71549.00	159586.00	1.00	1.00	1.00	267512.00
C25 H30 N24 O	434770.00	393021.00	456743.00	479015.00	469840.00	449355.00	510035.00	417557.00	458900.00	445318.00	468758.00	473669.00	430726.00	472634.00	499196.00	564590.00	465815.00	443004.00	685853.00	477228.00	536545.00	432923.00	540736.00	551589.00	410935.00	534806.00	490067.00	544335.00	551265.00	619413.00
Uracil	1.00	1.00	16853.00	1.00	1.00	12481.00	1.00	1.00	1.00	1.00	15346.00	14324.00	11631.00	1.00	1.00	11481.00	1.00	13208.00	1.00	1.00	1.00	1.00	11283.00	17531.00	12890.00	15437.00	1.00	15108.00	1.00	12050.00
C15 H2 O17 Esi-5.608001	207050.00	212973.00	195207.00	207969.00	215600.00	210292.00	189443.00	174428.00	200000.00	212228.00	168869.00	205878.00	203949.00	208929.00	192168.00	186879.00	214664.00	223081.00	221065.00	212924.00	219553.00	168883.00	172958.00	43248.00	229132.00	230665.00	216215.00	227981.00	203733.00	215406.00
C14 H37 N12 O8	1.00	11970.00	12875.00	1.00	13763.00	11866.00	20164.00	1.00	12172.00	12496.00	1.00	22293.00	9897.00	1.00	1.00	16124.00	17417.00	15923.00	17391.00	15995.00	13584.00	9982.00	14241.00	19332.00	17142.00	1.00	13250.00	19063.00	12974.00	1.00
C5 H4 S3 Esi-2.7409997 :1	143253.00	96251.00	104070.00	138103.00	90802.00	104573.00	116520.00	98480.00	87201.00	115209.00	144296.00	63046.00	118397.00	125010.00	116977.00	89049.00	104630.00	83787.00	110767.00	97377.00	128255.00	98770.00	90827.00	96253.00	98216.00	84944.00	97835.00	101651.00	123200.00	92598.00
C43 H77 N12 O3 S	19746.00	20810.00	28079.00	20227.00	22201.00	21432.00	21558.00	14986.00	30318.00	23788.00	16744.00	23658.00	23312.00	24476.00	19967.00	21285.00	21278.00	22797.00	21304.00	12009.00	27168.00	12990.00	19106.00	20065.00	15167.00	19225.00	17521.00	25080.00	21361.00	13405.00
C16 H30 N3 O3 Esi-1.1270003	27796.00	64625.00	33528.00	32789.00	79949.00	37312.00	47526.00	24146.00	17743.00	24063.00	33475.00	28062.00	95329.00	39939.00	36231.00	36307.00	32861.00	30662.00	74485.00	26856.00	26037.00	40615.00	26736.00	36333.00	31784.00	46470.00	62779.00	38950.00	45832.00	93166.00
C6 H3 N S3 Esi-1.472	77949.00	53431.00	87053.00	93500.00	53385.00	46533.00	51486.00	50782.00	51868.00	86647.00	89069.00	50469.00	85549.00	92525.00	46894.00	84210.00	49963.00	57413.00	53994.00	1.00	52234.00	46142.00	78937.00	86665.00	81411.00	47030.00	57976.00	47826.00	83401.00	83537.00
C27 H45 N9 O6	1.00	15422.00	16750.00	1.00	1.00	1.00	23240.00	1.00	20995.00	11926.00	1.00	14250.00	1.00	1.00	1.00	18163.00	21066.00	22665.00	10402.00	12774.00	1.00	1.00	14995.00	19184.00	14296.00	1.00	1.00	12631.00	1.00	1.00
Isoleucine	16959.00	14698.00	19748.00	12786.00	18170.00	15927.00	38079.00	20922.00	37254.00	26883.00	11606.00	15489.00	11988.00	11132.00	19974.00	28397.00	13645.00	14867.00	12589.00	20392.00	11578.00	18382.00	17065.00	16222.00	11680.00	17555.00	28938.00	16323.00	15677.00	26896.00
C24 H48 N3 O4 Esi-1.1099999	1.00	1.00	28242.00	1.00	1.00	1.00	42999.00	14676.00	21795.00	1.00	1.00	1.00	21254.00	20699.00	21121.00	12207.00	1.00	36069.00	1.00	1.00	15797.00	1.00	15643.00	22565.00	28926.00	23406.00	31146.00	1.00	20275.00	30770.00
C8 H4 N4 O9 S	19037.00	20140.00	16824.00	17373.00	20723.00	20117.00	19925.00	19440.00	18502.00	18540.00	18095.00	18243.00	17294.00	19135.00	20151.00	17813.00	21509.00	19306.00	19634.00	19987.00	19660.00	20292.00	19407.00	20724.00	19871.00	21083.00	19434.00	21681.00	19065.00	18939.00
C18 H34 N12 Esi-1.1159997	13362.00	11840.00	17131.00	17286.00	11139.00	10813.00	17017.00	1.00	20423.00	1.00	24553.00	16690.00	11023.00	16406.00	1.00	11439.00	10927.00	17627.00	14496.00	13488.00	10460.00	11564.00	1.00	17749.00	22231.00	17606.00	27144.00	12288.00	15385.00	26766.00
C6 H3 N S3 Esi-1.0550002	1.00	16762.00	17584.00	68303.00	14771.00	16020.00	16284.00	28939.00	122489.00	13568.00	14840.00	34068.00	15767.00	62663.00	14267.00	13518.00	1.00	60272.00	85145.00	18774.00	38167.00	69754.00	1.00	53721.00	31360.00	16012.00	14315.00	35213.00	15644.00	35326.00
35-aminobacteriohopane-30,31,32,33,34-pentol	1.00	12050.00	12279.00	1.00	1.00	1.00	21271.00	1.00	14389.00	1.00	21470.00	1.00	1.00	1.00	10981.00	10914.00	8964.00	16568.00	1.00	1.00	14959.00	23807.00	1.00	10772.00	13516.00	12792.00	1.00	1.00	1.00	1.00
C27 H46 Cl N4 O3	1.00	1.00	17528.00	12111.00	10710.00	1.00	13256.00	13139.00	17092.00	1.00	24301.00	13635.00	14024.00	17339.00	14021.00	1.00	1.00	24476.00	11115.00	12070.00	17432.00	18831.00	10727.00	22225.00	12725.00	12456.00	19952.00	1.00	13998.00	18613.00
C8 H14 O3	11883.00	14602.00	16109.00	15654.00	14047.00	14833.00	14702.00	1.00	14385.00	12629.00	16857.00	15349.00	15386.00	20568.00	20614.00	12026.00	22095.00	13873.00	18263.00	1.00	15756.00	12435.00	12774.00	12170.00	11980.00	12265.00	13315.00	12396.00	15740.00	11922.00
C20 H2 N2 O18 S Esi-5.9320016	21425.00	36731.00	21721.00	35103.00	65524.00	49839.00	47211.00	24721.00	50587.00	31212.00	72081.00	67299.00	15941.00	35293.00	45045.00	24256.00	47802.00	28275.00	98965.00	63441.00	42466.00	26749.00	95671.00	31885.00	34269.00	24353.00	63249.00	56028.00	58514.00	1.00
C5 H12 Cl N5 O S	1.00	12546.00	16993.00	1.00	17512.00	15505.00	22897.00	1.00	11255.00	1.00	1.00	12893.00	1.00	1.00	22601.00	1.00	14214.00	20523.00	16929.00	13293.00	1.00	21158.00	1.00	1.00	15320.00	23741.00	13926.00	17610.00	1.00	1.00
C33 H60 N8 O2	1.00	16311.00	14207.00	1.00	1.00	1.00	23895.00	9232.00	21905.00	1.00	14074.00	1.00	1.00	1.00	13206.00	10380.00	1.00	19458.00	11978.00	13890.00	15362.00	21785.00	11901.00	14267.00	16528.00	18553.00	12614.00	9681.00	14905.00	13063.00
C6 H Cl S5	1.00	1.00	21000.00	1.00	22344.00	20890.00	20849.00	17335.00	27586.00	1.00	20612.00	23869.00	19043.00	1.00	20205.00	23575.00	18127.00	21105.00	1.00	21110.00	13292.00	24131.00	1.00	25483.00	15999.00	24909.00	1.00	25507.00	14496.00	20455.00
C6 H O8 S Esi-1.0569998	30227.00	99849.00	95398.00	63873.00	1.00	119764.00	8904.00	142966.00	23039.00	80644.00	64217.00	118324.00	72824.00	1.00	209802.00	107850.00	57546.00	1.00	15367.00	206090.00	110189.00	22364.00	1.00	168810.00	1.00	80585.00	161332.00	1.00	1.00	267582.00
C7 H8 O5 S Esi-0.72900003	43343.00	1.00	61469.00	1.00	13284.00	1.00	1.00	26970.00	1.00	115103.00	1.00	21938.00	1.00	1.00	35158.00	19150.00	44644.00	27289.00	21532.00	1.00	1.00	1.00	17338.00	20831.00	25558.00	1.00	16567.00	261416.00	1.00	1.00
C18 H32 N18 O2	1.00	17459.00	10956.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13482.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C43 H77 N12 O3 S Esi-5.1490016	21291.00	26708.00	32291.00	22159.00	22157.00	25428.00	27406.00	17283.00	33495.00	25854.00	18428.00	24720.00	24392.00	26759.00	22346.00	23594.00	21802.00	25921.00	23124.00	13960.00	30346.00	14451.00	20000.00	22964.00	17514.00	19430.00	20761.00	25856.00	24560.00	14500.00
C21 H10 N6 O5 Esi-2.7269998	79635.00	1.00	68793.00	75498.00	70565.00	70822.00	81049.00	83253.00	58177.00	96726.00	56850.00	29885.00	62624.00	90557.00	77541.00	65039.00	70394.00	1.00	69683.00	64776.00	55005.00	72194.00	60961.00	68852.00	59510.00	62539.00	66543.00	84184.00	95358.00	55191.00
C21 H36 N O4	20118.00	22147.00	15843.00	11649.00	16020.00	16890.00	12908.00	17118.00	21785.00	14289.00	1.00	16101.00	17957.00	14047.00	17969.00	17039.00	21149.00	13855.00	19877.00	15220.00	15851.00	13840.00	13548.00	12314.00	14025.00	18851.00	18251.00	23151.00	27957.00	22412.00
C19 H32 O3 S	29521.00	43540.00	42086.00	30414.00	26773.00	35585.00	41903.00	26996.00	23669.00	29474.00	18153.00	33845.00	37809.00	39107.00	20377.00	36311.00	32325.00	33414.00	49105.00	40690.00	40295.00	25997.00	24103.00	19089.00	27852.00	25349.00	21206.00	39232.00	36334.00	52438.00
PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	1.00	1.00	11179.00	1.00	11914.00	1.00	12938.00	12257.00	16619.00	19186.00	1.00	1.00	1.00	11736.00	1.00	13123.00	1.00	12739.00	12128.00	12402.00	1.00	1.00	10870.00	12189.00	1.00	1.00	1.00	1.00	1.00	11261.00
12-O-Palmitoyl-16-hydroxyphorbol 13-acetate	1.00	14815.00	11766.00	1.00	1.00	1.00	17578.00	1.00	10963.00	1.00	1.00	1.00	1.00	1.00	14505.00	1.00	1.00	15119.00	1.00	1.00	11857.00	11424.00	11672.00	1.00	15403.00	21840.00	1.00	1.00	1.00	1.00
C25 H20 N3	16795.00	10391.00	15153.00	12207.00	14036.00	17677.00	9916.00	1.00	13849.00	15958.00	15568.00	19485.00	10863.00	18704.00	10403.00	14395.00	12659.00	1.00	15496.00	12625.00	10303.00	10103.00	15976.00	11453.00	15184.00	10832.00	10822.00	11180.00	12531.00	1.00
C37 H12 N3 O20	13284.00	1.00	17677.00	1.00	1.00	13598.00	1.00	14294.00	1.00	1.00	12535.00	1.00	1.00	17032.00	16500.00	1.00	1.00	9184.00	1.00	1.00	1.00	1.00	1.00	1.00	14697.00	1.00	1.00	1.00	1.00	1.00
C24 H50 N6 O2	1.00	29960.00	16532.00	1.00	1.00	1.00	49553.00	1.00	20068.00	1.00	1.00	1.00	1.00	19264.00	23547.00	1.00	1.00	32536.00	1.00	1.00	1.00	16979.00	1.00	24325.00	26163.00	25137.00	27575.00	1.00	17366.00	24893.00
C8 H14 N3 O2 S Esi-1.5410002	138565.00	384370.00	10843.00	112414.00	289865.00	327734.00	158351.00	1.00	92038.00	13416.00	25961.00	11291.00	19712.00	399863.00	13353.00	94050.00	1.00	24209.00	348702.00	22061.00	50997.00	327546.00	21527.00	43016.00	17125.00	211511.00	23602.00	221409.00	199722.00	49509.00
C29 H44 N16 O	1.00	20300.00	13587.00	1.00	10369.00	1.00	22574.00	11246.00	18739.00	11404.00	1.00	13126.00	11837.00	9939.00	19496.00	21237.00	10152.00	19261.00	11376.00	11920.00	12633.00	15719.00	15182.00	16460.00	19420.00	21327.00	17502.00	12962.00	15655.00	13546.00
C20 H42 N6 O3	1.00	1.00	17874.00	8851.00	9999.00	1.00	48700.00	10521.00	18691.00	1.00	12120.00	12473.00	15364.00	16619.00	15557.00	10773.00	1.00	28407.00	9659.00	1.00	11312.00	10755.00	1.00	19142.00	16479.00	13473.00	20783.00	1.00	14070.00	21848.00
C7 H3 N O9 S2 Esi-2.8030005	75324.00	1.00	75115.00	74123.00	78464.00	1.00	1.00	1.00	80445.00	74108.00	31067.00	80716.00	76574.00	76887.00	1.00	84449.00	1.00	1.00	1.00	79095.00	77101.00	78960.00	83369.00	79615.00	83420.00	79532.00	1.00	76763.00	76789.00	81888.00
C13 H20 O4	13979.00	16676.00	15679.00	16595.00	22526.00	27489.00	21044.00	15328.00	20932.00	14725.00	23505.00	27210.00	16623.00	21359.00	24014.00	22848.00	20955.00	15344.00	22057.00	15616.00	23607.00	23255.00	24810.00	20977.00	14580.00	20578.00	18746.00	20434.00	21884.00	15347.00
C14 H22 N12	15112.00	21331.00	18040.00	17677.00	16754.00	15256.00	16951.00	16371.00	12171.00	21665.00	16918.00	19018.00	22051.00	14995.00	16261.00	1.00	1.00	1.00	22802.00	24755.00	18088.00	19277.00	1.00	13954.00	1.00	1.00	1.00	13716.00	14330.00	17140.00
C4 H8 O3 Esi-1.5429996	1230242.00	3720047.00	1056499.00	1199749.00	2829956.00	3046982.00	1533224.00	131220.00	860576.00	618849.00	33483.00	26961.00	1439991.00	3389220.00	1152298.00	846515.00	67623.00	182615.00	2879310.00	824790.00	568440.00	2696073.00	258463.00	412379.00	232028.00	1964440.00	316789.00	1703877.00	1819823.00	381977.00
C27 H48 N6 O2	1.00	17423.00	28911.00	1.00	19382.00	1.00	29233.00	18402.00	22066.00	1.00	18926.00	15266.00	22738.00	22779.00	27174.00	18059.00	1.00	45588.00	17510.00	1.00	21598.00	19733.00	20943.00	21036.00	29422.00	24458.00	38206.00	15931.00	20580.00	40693.00
C13 H25 N O3 Esi-1.2380003	68502.00	19054.00	15603.00	10753.00	16120.00	9939.00	12811.00	13811.00	20370.00	55518.00	17987.00	14542.00	35826.00	26576.00	28426.00	29868.00	21713.00	66167.00	15893.00	21759.00	23248.00	19543.00	13323.00	12589.00	27973.00	24266.00	14566.00	15716.00	32920.00	59463.00
C9 H2 O7 Esi-2.3040006	108236.00	108516.00	107275.00	116763.00	109418.00	111443.00	97435.00	1.00	120039.00	1.00	104868.00	120676.00	108647.00	107182.00	108842.00	125024.00	1.00	122482.00	121810.00	115338.00	132949.00	121408.00	126205.00	127844.00	125497.00	119922.00	120617.00	53935.00	1.00	130413.00
C27 H61 N22 O2	1.00	15332.00	19257.00	1.00	1.00	1.00	13113.00	16346.00	1.00	16198.00	1.00	1.00	1.00	1.00	1.00	20714.00	17709.00	17768.00	1.00	1.00	13938.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C10 H4 N2 O5 S	18556.00	17891.00	16896.00	19370.00	18851.00	17115.00	17862.00	18376.00	16985.00	18917.00	19283.00	18384.00	17412.00	20026.00	19646.00	19840.00	19721.00	20165.00	19588.00	17025.00	16748.00	18910.00	18261.00	18175.00	19332.00	18445.00	19569.00	19860.00	17826.00	18061.00
C28 H45 N6 O3	1.00	23224.00	25845.00	14820.00	17021.00	10572.00	23811.00	18185.00	25565.00	1.00	24401.00	18583.00	16881.00	24905.00	29907.00	16386.00	1.00	33010.00	15449.00	14021.00	19898.00	31422.00	18743.00	25956.00	29137.00	22146.00	35562.00	15249.00	23874.00	29438.00
C20 H49 N13 O2 S	1.00	1.00	23642.00	1.00	1.00	1.00	18782.00	14348.00	18070.00	1.00	18086.00	1.00	17183.00	18589.00	19789.00	14417.00	1.00	29742.00	1.00	1.00	17153.00	21824.00	15685.00	15969.00	20620.00	15884.00	30210.00	1.00	16285.00	27480.00
C15 H17 N8 O3 S2	14215.00	1.00	18987.00	1.00	1.00	10039.00	1.00	14270.00	1.00	1.00	8814.00	1.00	1.00	11597.00	11130.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	8668.00	1.00	1.00	1.00	1.00	1.00
C28 H48 O2 S	11185.00	11249.00	11503.00	8452.00	11338.00	9883.00	137394.00	11871.00	1.00	12683.00	1.00	1.00	7913.00	1.00	1.00	12606.00	12981.00	1.00	13028.00	9732.00	11166.00	1.00	9805.00	154114.00	1.00	1.00	122264.00	13908.00	16452.00	1.00
C29 H15 N2 O26 Esi-9.3244295	1.00	1.00	27943.00	1.00	1.00	1.00	1.00	1.00	13623.00	32115.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10442.00	1.00	1.00	1.00	18127.00	1.00	11163.00	1.00	1.00	1.00	1.00	17375.00
C34 H63 N29	13141.00	12569.00	15562.00	1.00	1.00	1.00	10379.00	1.00	11693.00	1.00	10532.00	9943.00	19805.00	16285.00	11435.00	12792.00	9681.00	12049.00	13928.00	1.00	9659.00	1.00	15316.00	9914.00	9976.00	13889.00	1.00	12867.00	1.00	11450.00
C25 H48 N3 O2	1.00	1.00	12351.00	1.00	1.00	1.00	13423.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10064.00	10039.00	1.00	11912.00	1.00	1.00	9202.00	1.00	1.00	11593.00	10084.00	17112.00	13053.00	1.00	1.00	12740.00
C25 H42 N14 O	13197.00	22346.00	29281.00	21179.00	20519.00	18969.00	25757.00	27324.00	30815.00	14029.00	25402.00	20720.00	23430.00	28999.00	27792.00	19858.00	11125.00	25708.00	23864.00	21757.00	24130.00	23269.00	22154.00	26000.00	23635.00	22236.00	31792.00	23848.00	25865.00	32708.00
C16 H36 N6 O4	11953.00	11594.00	14097.00	11613.00	12146.00	11253.00	13518.00	10172.00	15967.00	9866.00	10419.00	10354.00	1.00	11121.00	13626.00	13068.00	11301.00	12969.00	12706.00	10099.00	10872.00	1.00	10884.00	9486.00	16487.00	13144.00	19057.00	13902.00	17644.00	14048.00
C27 H37 N16 O3	1.00	10603.00	13609.00	1.00	1.00	1.00	17917.00	1.00	1.00	1.00	1.00	11378.00	1.00	1.00	1.00	19628.00	13983.00	16635.00	1.00	12032.00	10852.00	1.00	1.00	17767.00	1.00	1.00	1.00	12792.00	1.00	1.00
C26 H28 N6 O	9729.00	19729.00	12019.00	11086.00	10411.00	12011.00	10876.00	12009.00	10091.00	20186.00	7295.00	8649.00	12982.00	6916.00	16148.00	11758.00	13909.00	9571.00	10952.00	8814.00	11891.00	9083.00	10085.00	7815.00	7191.00	8286.00	7612.00	11900.00	6615.00	6631.00
C33 H57 N11 O3	1.00	1.00	12283.00	1.00	1.00	1.00	13269.00	11861.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11449.00	1.00	19717.00	1.00	10582.00	16170.00	1.00	1.00	10037.00	1.00	12812.00	1.00	1.00	1.00	1.00
C6 H10 O2	17743.00	28089.00	16013.00	1.00	1.00	19716.00	20390.00	1.00	19956.00	1.00	1.00	18077.00	15199.00	1.00	15719.00	18117.00	1.00	1.00	17892.00	1.00	42639.00	1.00	15192.00	1.00	1.00	17530.00	1.00	14303.00	12930.00	12484.00
C3 H9 Cl N5	16812.00	1.00	32630.00	19439.00	44606.00	17960.00	1.00	14670.00	33237.00	1.00	39589.00	37248.00	24365.00	24344.00	1.00	21375.00	1.00	17880.00	20819.00	17586.00	19053.00	33893.00	19542.00	31079.00	1.00	32795.00	1.00	22210.00	1.00	1.00
C3 H3 N4 O3	20052.00	18516.00	29216.00	15003.00	29251.00	15976.00	30877.00	17063.00	28443.00	18267.00	1.00	1.00	1.00	1.00	1.00	17658.00	25055.00	17486.00	26819.00	1.00	22579.00	1.00	1.00	16386.00	1.00	19545.00	20187.00	15929.00	1.00	1.00
C21 H6 N5 O3 Esi-1.0919995	37897.00	33640.00	64002.00	46567.00	31469.00	56017.00	47090.00	49714.00	30208.00	40538.00	41756.00	44415.00	34935.00	32184.00	26434.00	36530.00	50631.00	35401.00	34386.00	31030.00	41113.00	31403.00	56685.00	22882.00	37298.00	39822.00	34963.00	43521.00	37014.00	45003.00
C24 H40 N6 O3	1.00	1.00	16749.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16863.00	1.00	1.00	1.00	1.00	1.00	1.00	13951.00	1.00	19116.00	1.00	1.00	18252.00
C12 H2 N O15	1.00	1.00	17072.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	18279.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12228.00
C10 H4 O7 Esi-1.0529996	18189.00	47234.00	55986.00	58778.00	49717.00	44412.00	53667.00	50190.00	49575.00	58255.00	39088.00	51604.00	55632.00	53554.00	41663.00	64193.00	61692.00	53380.00	44100.00	35549.00	56335.00	45781.00	43896.00	43675.00	51346.00	49604.00	53720.00	117614.00	71436.00	30660.00
C9 H4 O3 Esi-2.1566668	217382.00	428454.00	447168.00	204897.00	277893.00	270714.00	314855.00	470028.00	25202.00	542131.00	243668.00	117882.00	147727.00	368249.00	40524.00	186663.00	311180.00	46635.00	190746.00	238223.00	155491.00	34204.00	200857.00	197767.00	153487.00	261478.00	250342.00	391573.00	396611.00	174186.00
C6 H6 N3 O9 Esi-2.2809992	159180.00	161719.00	160708.00	147302.00	166777.00	151448.00	175008.00	198108.00	131364.00	206521.00	140573.00	125679.00	127225.00	182744.00	163565.00	161361.00	173849.00	133601.00	137648.00	174398.00	144893.00	166413.00	146402.00	141451.00	134726.00	159651.00	154171.00	197259.00	188891.00	136449.00
C10 H9 Cl O6	172858.00	180290.00	179203.00	1.00	1.00	160852.00	196938.00	1.00	125129.00	1.00	153687.00	121196.00	108946.00	185408.00	1.00	54248.00	1.00	131097.00	133036.00	1.00	141475.00	163651.00	140918.00	126950.00	123772.00	155856.00	145304.00	218029.00	207453.00	115699.00
C41 H72 N10 O7	13321.00	16051.00	13956.00	11060.00	12728.00	13725.00	14467.00	17142.00	16236.00	14665.00	1.00	1.00	12423.00	11705.00	1.00	11942.00	10774.00	10800.00	14092.00	12632.00	1.00	15951.00	10906.00	12393.00	10407.00	11488.00	1.00	1.00	1.00	1.00
C14 H N S2 Esi-1.059 :2	28495.00	72380.00	73755.00	119231.00	88321.00	68847.00	69993.00	30080.00	65970.00	13515.00	82522.00	75672.00	56242.00	25921.00	70586.00	62707.00	25740.00	70050.00	46508.00	66109.00	59499.00	55017.00	41297.00	74346.00	42775.00	60332.00	26311.00	63121.00	60064.00	57639.00
C6 H6 Cl3 N6 O2	1.00	1.00	12513.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	18528.00	1.00	1.00	1.00	1.00	1.00	1.00	13395.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C5 H3 N O4	1.00	1.00	13924.00	1.00	1.00	1.00	16075.00	22402.00	1.00	22882.00	1.00	1.00	1.00	15761.00	15350.00	1.00	15382.00	1.00	1.00	16783.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16108.00	1.00	1.00
C23 H44 N3 O3	1.00	1.00	19644.00	1.00	12096.00	1.00	1.00	1.00	12117.00	1.00	1.00	12544.00	1.00	15577.00	9492.00	1.00	1.00	13183.00	12315.00	1.00	1.00	1.00	1.00	1.00	15706.00	25454.00	21221.00	12077.00	18643.00	17460.00
C33 H53 N4 O5	1.00	13458.00	14807.00	1.00	10890.00	1.00	20502.00	1.00	20086.00	1.00	17420.00	12160.00	9760.00	15319.00	18422.00	15770.00	1.00	23276.00	10250.00	1.00	11714.00	29272.00	13695.00	15644.00	18588.00	11777.00	24147.00	12393.00	15776.00	18490.00
C6 H9 Cl2 N3 O3	63646.00	58828.00	66849.00	52905.00	52284.00	59251.00	59501.00	61285.00	60499.00	61285.00	52704.00	60764.00	41767.00	53345.00	64616.00	67359.00	51867.00	73600.00	44806.00	50236.00	49878.00	52557.00	56696.00	69344.00	59859.00	58042.00	48807.00	58756.00	46845.00	74827.00
C24 H51 N15 O	7408.00	11153.00	19503.00	7385.00	9913.00	6246.00	19171.00	10144.00	16913.00	1.00	15353.00	11352.00	19264.00	16667.00	16952.00	14528.00	1.00	24909.00	9010.00	4897.00	14856.00	17760.00	15128.00	13183.00	20169.00	14430.00	24800.00	9073.00	13994.00	27469.00
C5 H O4 S Esi-4.486 :1	149331.00	662331.00	147154.00	48011.00	73546.00	382555.00	367801.00	198427.00	293269.00	310673.00	159119.00	202497.00	554196.00	98171.00	120043.00	1.00	1.00	235358.00	47666.00	1.00	60233.00	1.00	79234.00	82293.00	270952.00	505826.00	55582.00	100714.00	66650.00	235348.00
C7 H N O11 S Esi-2.6999998	202885.00	318328.00	314800.00	206040.00	321280.00	308189.00	209435.00	212169.00	333702.00	226566.00	181845.00	332086.00	322101.00	213873.00	225285.00	341751.00	326004.00	346843.00	230587.00	331243.00	1.00	306323.00	342917.00	345588.00	345736.00	326022.00	345244.00	335333.00	197386.00	344853.00
C20 H38 N6 O3	1.00	1.00	11333.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14492.00	1.00	1.00	1.00	1.00	1.00	1.00	11037.00	9750.00	15486.00	1.00	10371.00	13202.00
C31 H40 N3 O5	1.00	4942.00	5612.00	5265.00	3704.00	2292.00	4046.00	3421.00	3572.00	9929.00	3906.00	2515.00	13822.00	4542.00	5388.00	5463.00	3296.00	2841.00	4748.00	8007.00	3369.00	2781.00	4176.00	5201.00	1.00	3631.00	3300.00	4143.00	6360.00	5424.00
C21 H8 N9 O2 Esi-2.7255995	108342.00	110364.00	106984.00	105301.00	102947.00	99426.00	108381.00	96152.00	116444.00	105116.00	116514.00	83843.00	124431.00	118839.00	114739.00	104868.00	117107.00	121240.00	119501.00	111671.00	110869.00	104607.00	92785.00	112527.00	127266.00	57295.00	103908.00	114664.00	103887.00	94379.00
C13 H22 O4	76094.00	67345.00	29568.00	28716.00	25048.00	31247.00	64005.00	67350.00	26392.00	33267.00	20447.00	32119.00	31867.00	81667.00	27540.00	22351.00	20674.00	32159.00	28880.00	25862.00	18059.00	26469.00	23419.00	21790.00	22293.00	21112.00	20546.00	22358.00	1.00	23284.00
C16 H4 O17	14755.00	15150.00	12745.00	13675.00	15726.00	13595.00	15036.00	14671.00	13173.00	15084.00	12194.00	13687.00	12383.00	13959.00	16551.00	14615.00	16700.00	13958.00	16509.00	16230.00	13989.00	13414.00	14876.00	14462.00	15737.00	14740.00	17987.00	16629.00	13399.00	14680.00
C9 H22 N O7	1.00	1.00	13700.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12235.00	1.00	1.00	1.00	1.00	13635.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16962.00
C44 H63 N22 O4	12830.00	11286.00	14046.00	17506.00	17734.00	14018.00	12804.00	11158.00	13125.00	12884.00	11544.00	15532.00	15468.00	13738.00	14323.00	12009.00	10277.00	12618.00	16027.00	13081.00	16790.00	11581.00	13509.00	14803.00	12822.00	12160.00	12578.00	15885.00	16444.00	1.00
C28 H53 Cl2 N5	1.00	1.00	34755.00	15814.00	20943.00	14574.00	26259.00	23836.00	29857.00	1.00	16949.00	20120.00	31811.00	32281.00	32679.00	20355.00	1.00	37507.00	15885.00	17592.00	25386.00	24226.00	28557.00	21039.00	33683.00	28344.00	43696.00	14344.00	27930.00	40637.00
C8 H12 N O3 S	1.00	16707.00	20668.00	1.00	18438.00	19078.00	16169.00	18861.00	18202.00	16502.00	1.00	24893.00	16402.00	1.00	25157.00	1.00	17045.00	22293.00	1.00	23209.00	18773.00	16317.00	19600.00	18246.00	1.00	22859.00	1.00	23551.00	15964.00	27939.00
C22 H33 N4 S2	18621.00	18995.00	18071.00	19022.00	18987.00	15866.00	16909.00	17498.00	1.00	15175.00	1.00	1.00	19585.00	16164.00	14896.00	1.00	1.00	1.00	17205.00	18264.00	13788.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C6 H7 N O7	1.00	34104.00	43331.00	22459.00	1.00	1.00	1.00	50038.00	30698.00	70184.00	1.00	1.00	1.00	41458.00	34255.00	1.00	1.00	1.00	23801.00	42187.00	1.00	28211.00	18079.00	1.00	1.00	20167.00	1.00	1.00	38324.00	19809.00
C28 H47 N5 O14	1.00	1.00	11087.00	1.00	1.00	1.00	1.00	1.00	13831.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11126.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C4 H2 O3 S2 Esi-0.95199984	34775.00	1.00	45152.00	1.00	1.00	8976.00	93123.00	41652.00	1.00	34226.00	36162.00	13058.00	1.00	11125.00	109539.00	17635.00	40705.00	1.00	12973.00	83382.00	10363.00	11625.00	1.00	10745.00	35063.00	1.00	44584.00	14869.00	1.00	13851.00
C18 H38 N19 O4	2059.00	15049.00	6185.00	5832.00	5392.00	6160.00	7838.00	5969.00	9483.00	6399.00	5308.00	8027.00	3144.00	8390.00	12601.00	5517.00	6626.00	7738.00	5118.00	7020.00	4085.00	9753.00	5103.00	7049.00	5065.00	5952.00	7284.00	6243.00	7517.00	5457.00
C26 H47 N7 O4	1.00	1.00	17429.00	1.00	1.00	1.00	1.00	1.00	14049.00	1.00	15903.00	1.00	13273.00	12012.00	12664.00	11386.00	1.00	20162.00	1.00	1.00	12968.00	19646.00	1.00	1.00	15205.00	1.00	20969.00	1.00	10867.00	14125.00
C10 H4 O7 Esi-0.91099983	34836.00	62233.00	17380.00	25120.00	18631.00	38902.00	18954.00	17326.00	23236.00	21182.00	18387.00	52319.00	27379.00	59353.00	12726.00	18478.00	21366.00	49635.00	17579.00	13794.00	77467.00	22304.00	16661.00	23367.00	14445.00	26434.00	88871.00	17615.00	15513.00	86678.00
C25 H41 N3 O6	3960.00	6110.00	5642.00	1.00	3965.00	6171.00	7725.00	2929.00	3991.00	5519.00	2315.00	7164.00	4562.00	1.00	3717.00	9339.00	15234.00	7493.00	6305.00	13026.00	3043.00	4725.00	6207.00	9247.00	7932.00	2367.00	4518.00	6210.00	3861.00	2631.00
C4 H2 N3 O S3	9269.00	9221.00	8723.00	9008.00	8695.00	9354.00	8479.00	9187.00	8728.00	11419.00	9577.00	9862.00	9357.00	7311.00	9332.00	8935.00	9274.00	8411.00	8875.00	8466.00	8880.00	9880.00	8168.00	8860.00	7755.00	8789.00	7985.00	9318.00	8619.00	9152.00
C22 H50 N4 O13	2264.00	14971.00	2977.00	1.00	1.00	2510.00	4588.00	3255.00	3484.00	10222.00	2513.00	2400.00	7613.00	3287.00	10344.00	3721.00	2679.00	6477.00	1.00	13878.00	6349.00	1.00	5953.00	3496.00	7116.00	5143.00	6707.00	1.00	2632.00	2473.00
C4 H2 O3 S2 Esi-0.9260001 :2	34747.00	41386.00	49513.00	33449.00	38618.00	43731.00	49715.00	52369.00	82689.00	37593.00	42406.00	47632.00	62119.00	49112.00	120689.00	63703.00	42703.00	1.00	50301.00	83268.00	48968.00	1.00	77948.00	61702.00	43794.00	31210.00	44523.00	45494.00	49481.00	40886.00
C5 H O5 S Esi-4.4889994	1.00	263255.00	259499.00	1.00	202199.00	134290.00	147701.00	232917.00	285394.00	201099.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	194161.00	1.00	229277.00	227261.00	228577.00	152228.00	1.00	1.00	140156.00	1.00
C30 H54 N9 O3	1.00	12249.00	12129.00	1.00	10775.00	1.00	19595.00	1.00	16271.00	1.00	1.00	1.00	1.00	11655.00	14614.00	13979.00	1.00	21143.00	13174.00	10689.00	13170.00	16044.00	11227.00	11967.00	15400.00	15784.00	16956.00	1.00	12936.00	16548.00
C12 H24 O3	1.00	13355.00	17461.00	11713.00	1.00	1.00	12056.00	1.00	15118.00	1.00	1.00	1.00	11843.00	1.00	1.00	1.00	1.00	11895.00	12491.00	12520.00	11848.00	1.00	1.00	1.00	1.00	1.00	14074.00	10840.00	1.00	1.00
C17 H2 N3 O18	12149.00	12067.00	13918.00	1.00	14330.00	16242.00	14018.00	12106.00	12143.00	12191.00	1.00	11450.00	1.00	13405.00	12934.00	12611.00	15912.00	13966.00	14215.00	11442.00	11456.00	12766.00	12916.00	13142.00	13599.00	15218.00	14098.00	14138.00	12275.00	11591.00
C9 H18 O3	1.00	1.00	13867.00	1.00	1.00	1.00	1.00	1.00	15865.00	16029.00	12724.00	12622.00	15775.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16063.00	1.00
C11 H11 O6	15098.00	4433.00	9693.00	13315.00	5290.00	8373.00	5379.00	4681.00	12297.00	3837.00	11522.00	8464.00	8329.00	7779.00	12470.00	9166.00	7651.00	8236.00	7269.00	8429.00	6557.00	9331.00	7684.00	8620.00	7812.00	7046.00	8228.00	4214.00	4365.00	8762.00
C9 H2 O7 Esi-2.305	114323.00	118276.00	117231.00	121044.00	117543.00	118681.00	102551.00	104182.00	127364.00	1.00	109746.00	128812.00	110859.00	115028.00	115748.00	136302.00	122978.00	131363.00	129344.00	123414.00	140340.00	131376.00	127463.00	140341.00	130014.00	126568.00	127241.00	113794.00	111735.00	136451.00
C10 H13 N O3	1.00	1.00	8824.00	1.00	1.00	8517.00	1.00	1.00	1.00	1.00	1.00	14334.00	1.00	1.00	14712.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12171.00	1.00	1.00	1.00	1.00	12903.00
C6 H O8 S Esi-1.0569998 :1	30227.00	99849.00	95398.00	63873.00	1.00	119764.00	8904.00	142966.00	23039.00	80644.00	64217.00	118324.00	72824.00	1.00	189804.00	107850.00	57546.00	1.00	15367.00	206090.00	110189.00	22364.00	1.00	168810.00	1.00	80585.00	161332.00	1.00	1.00	267582.00
C13 H8 N2 O16	15018.00	1.00	13196.00	1.00	1.00	1.00	1.00	1.00	13247.00	1.00	1.00	1.00	1.00	1.00	12512.00	12319.00	1.00	15176.00	1.00	1.00	1.00	1.00	1.00	11849.00	1.00	1.00	1.00	1.00	1.00	14170.00
C38 H47 N2	13052.00	16605.00	38728.00	15912.00	20833.00	16439.00	32232.00	25289.00	28921.00	1.00	20620.00	22254.00	34461.00	37271.00	33320.00	24341.00	1.00	48514.00	17503.00	14748.00	27169.00	24759.00	33937.00	31352.00	40654.00	32495.00	44871.00	17431.00	29855.00	41125.00
C9 H4 N4 O	177014.00	47647.00	72736.00	101309.00	103682.00	116742.00	148580.00	158634.00	153038.00	197861.00	95043.00	75719.00	94952.00	107888.00	186484.00	240292.00	125415.00	228681.00	109363.00	136238.00	110521.00	103188.00	181216.00	178984.00	153877.00	128413.00	155252.00	89659.00	123029.00	263708.00
C13 H12 O10	11639.00	12308.00	11031.00	12138.00	11382.00	9277.00	12451.00	12346.00	10392.00	13126.00	14887.00	11432.00	9370.00	12298.00	11956.00	13803.00	12831.00	12495.00	11559.00	11999.00	13706.00	11178.00	11380.00	12114.00	11971.00	12686.00	12057.00	13910.00	15759.00	10737.00
C36 H57 N O3 S	1.00	21556.00	13103.00	1.00	1.00	1.00	17984.00	1.00	17897.00	1.00	15925.00	10485.00	1.00	11354.00	14917.00	13536.00	1.00	20782.00	1.00	1.00	15287.00	24944.00	11372.00	14260.00	13785.00	1.00	17284.00	1.00	12458.00	12998.00
C21 H36 O5	1.00	11493.00	11986.00	1.00	1.00	1.00	1.00	18164.00	11182.00	1.00	1.00	1.00	1.00	1.00	12996.00	1.00	1.00	12457.00	15065.00	10279.00	11358.00	1.00	1.00	1.00	11303.00	13949.00	17525.00	13269.00	17147.00	15394.00
C5 H8 N4 O6 Esi-2.7089999 :1	125719.00	92174.00	32495.00	116333.00	102915.00	105497.00	115315.00	108620.00	91651.00	118977.00	155278.00	92715.00	106488.00	132404.00	119571.00	105059.00	108868.00	94229.00	124235.00	97030.00	147135.00	109149.00	97685.00	131287.00	103595.00	104048.00	102654.00	113590.00	141621.00	101095.00
C15 H22 O3 Esi-1.0529996	11725.00	14843.00	80991.00	10467.00	16497.00	9047.00	10864.00	9866.00	12483.00	71196.00	13354.00	15066.00	16602.00	78648.00	15555.00	12569.00	69824.00	64208.00	62680.00	75836.00	10776.00	33621.00	14838.00	14968.00	16258.00	21635.00	10434.00	12400.00	9980.00	17763.00
C12 H24 N3 O2 Esi-1.167	1.00	15825.00	15310.00	1.00	1.00	1.00	1.00	1.00	16406.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	17697.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C3 H4 N6 O3 Esi-1.4199996	61447.00	138213.00	13735.00	67550.00	120582.00	14170.00	81482.00	13341.00	49035.00	15484.00	10768.00	15376.00	18277.00	12503.00	14707.00	51121.00	10325.00	13550.00	134288.00	14108.00	13000.00	128640.00	20908.00	29658.00	19426.00	14259.00	25858.00	84573.00	12127.00	13033.00
C13 H7 N3 Esi-2.8930004	33722.00	31656.00	34603.00	30900.00	36062.00	27968.00	41072.00	38914.00	32299.00	45404.00	37444.00	24148.00	23416.00	1.00	35639.00	29724.00	1.00	35203.00	31077.00	1.00	33003.00	27988.00	27283.00	32953.00	27792.00	33636.00	34045.00	41786.00	42527.00	29089.00
C4 H5 Cl N O Esi-5.3179994 :2	53620.00	191245.00	31407.00	49669.00	104267.00	41579.00	88366.00	238925.00	53278.00	66566.00	68330.00	56622.00	78413.00	261053.00	67921.00	54101.00	242801.00	57273.00	228220.00	44804.00	151576.00	1.00	45442.00	158396.00	64190.00	50103.00	53454.00	84005.00	63912.00	34960.00
C28 H41 N10 O3	108885.00	192021.00	241925.00	19530.00	108345.00	137285.00	303601.00	98893.00	155065.00	141559.00	52588.00	181461.00	139106.00	54290.00	102148.00	331471.00	252786.00	286045.00	172724.00	221696.00	197011.00	168592.00	109135.00	323331.00	138050.00	104365.00	123138.00	223198.00	172997.00	77691.00
C30 H58 N12 O	3387.00	11609.00	12642.00	6117.00	7230.00	4567.00	21020.00	7700.00	18521.00	3468.00	11650.00	7286.00	4432.00	6405.00	11677.00	7929.00	3415.00	18723.00	9780.00	11845.00	12887.00	21827.00	12322.00	14841.00	12879.00	12702.00	11775.00	5158.00	11739.00	11808.00
C40 H68 N11 O2	1.00	1.00	12531.00	1.00	11019.00	1.00	1.00	13292.00	14450.00	15431.00	1.00	1.00	1.00	1.00	1.00	1.00	12280.00	11910.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C15 H22 O3 Esi-1.0529996 :1	11725.00	14014.00	80991.00	10467.00	16497.00	54680.00	10864.00	9866.00	12575.00	70976.00	13354.00	15066.00	16602.00	78648.00	15555.00	12223.00	69824.00	64535.00	62680.00	75836.00	10776.00	33621.00	14838.00	14968.00	16258.00	21635.00	10434.00	11800.00	9663.00	17763.00
C24 H24 N	48410.00	72970.00	71273.00	67462.00	60996.00	1.00	1.00	64050.00	1.00	58395.00	39798.00	59710.00	103817.00	58526.00	69590.00	63887.00	51143.00	70920.00	1.00	1.00	60073.00	56909.00	37340.00	58403.00	52927.00	77721.00	67984.00	1.00	1.00	86507.00
C32 H63 N28 O5	10414.00	1.00	10160.00	1.00	9854.00	11806.00	1.00	1.00	1.00	10046.00	1.00	9739.00	15095.00	13294.00	10299.00	1.00	1.00	1.00	11793.00	1.00	9510.00	9139.00	11491.00	1.00	1.00	1.00	1.00	1.00	1.00	10974.00
C5 H3 N3 O5	12326.00	10999.00	15155.00	1.00	15431.00	1.00	1.00	13229.00	1.00	1.00	10358.00	1.00	10490.00	1.00	14593.00	1.00	1.00	12041.00	1.00	14026.00	1.00	20126.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14326.00
C18 H30 O3 S Esi-2.5619996	22823.00	28244.00	76588.00	26917.00	72278.00	25990.00	27153.00	72722.00	33976.00	24685.00	28741.00	62633.00	34007.00	80651.00	28638.00	28397.00	29180.00	30231.00	23531.00	29611.00	25586.00	29624.00	56226.00	88203.00	26049.00	57451.00	34589.00	75004.00	30942.00	28931.00
C50 H89 N O14 S2	1.00	1.00	10326.00	9646.00	1.00	1.00	13477.00	1.00	13054.00	11831.00	1.00	10112.00	9600.00	1.00	10315.00	1.00	1.00	11522.00	11424.00	1.00	10324.00	1.00	11412.00	11686.00	1.00	11114.00	1.00	10211.00	1.00	1.00
C4 H2 O3 S2 Esi-0.94899994	34775.00	1.00	45152.00	1.00	1.00	8976.00	93123.00	54229.00	1.00	34226.00	36162.00	13058.00	1.00	11125.00	112966.00	17635.00	41355.00	1.00	12973.00	83382.00	10363.00	24792.00	1.00	10745.00	35063.00	31139.00	44584.00	14869.00	1.00	13851.00
C20 H25 N8 O3	1.00	1.00	8556.00	10792.00	1.00	1.00	1.00	1.00	1.00	1.00	10191.00	1.00	11618.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	8945.00	10589.00	1.00	1.00	1.00	1.00	1.00
C21 H40 N12	1.00	13793.00	41969.00	16230.00	21430.00	14801.00	36715.00	24772.00	28428.00	1.00	24151.00	20815.00	27962.00	31183.00	32124.00	21871.00	1.00	47025.00	17402.00	17776.00	27553.00	25227.00	22538.00	26495.00	32942.00	33753.00	46489.00	16326.00	30973.00	46811.00
C30 H63 N26	13262.00	9397.00	10685.00	1.00	1.00	1.00	11059.00	1.00	14571.00	1.00	1.00	1.00	1.00	9922.00	1.00	14112.00	1.00	10377.00	9504.00	1.00	12339.00	13217.00	1.00	12501.00	1.00	1.00	1.00	13531.00	9711.00	1.00
C8 H4 O	22689.00	33116.00	30386.00	23051.00	1.00	1.00	26731.00	18106.00	1.00	18733.00	1.00	1.00	25744.00	1.00	31924.00	1.00	1.00	20835.00	22599.00	1.00	1.00	1.00	30214.00	27398.00	1.00	1.00	1.00	1.00	1.00	29214.00
C14 H26 Cl2 N2 O3	26873.00	39545.00	28542.00	27751.00	24887.00	31951.00	37355.00	23504.00	24831.00	29187.00	20695.00	22414.00	33305.00	29271.00	11273.00	29929.00	22505.00	28856.00	41672.00	34342.00	26568.00	26599.00	22004.00	12633.00	30495.00	27206.00	27714.00	36391.00	29380.00	33703.00
C16 H22 O4	27001.00	31911.00	17068.00	19242.00	28334.00	25357.00	16239.00	22504.00	1.00	27048.00	17756.00	20923.00	28775.00	15687.00	20643.00	24530.00	26859.00	14143.00	24985.00	19470.00	19218.00	19822.00	18958.00	16630.00	25496.00	24742.00	24734.00	26851.00	30019.00	21936.00
C31 H57 N14 O	1.00	1.00	10127.00	1.00	1.00	1.00	14000.00	1.00	11290.00	1.00	12760.00	1.00	1.00	8901.00	10138.00	9016.00	1.00	15466.00	1.00	1.00	9382.00	12164.00	11032.00	1.00	10927.00	12223.00	9443.00	1.00	10279.00	1.00
C7 H6 N O4 Esi-1.068	1.00	1.00	10424.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	19583.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13428.00	14764.00	1.00	1.00	1.00	9973.00
C13 H3 Cl N	76979.00	50882.00	51011.00	63940.00	54640.00	62336.00	55620.00	49147.00	64241.00	81393.00	66798.00	60342.00	57069.00	30389.00	73325.00	69853.00	55651.00	83627.00	60006.00	55613.00	54277.00	52286.00	77617.00	60716.00	52315.00	49984.00	71806.00	67309.00	63535.00	84389.00
C14 H N S2 Esi-1.5299999	23175.00	1.00	33504.00	1.00	1.00	1.00	23023.00	38198.00	11819.00	17430.00	1.00	1.00	1.00	1.00	21731.00	1.00	24369.00	54150.00	1.00	1.00	1.00	1.00	17589.00	1.00	1.00	1.00	1.00	1.00	1.00	20073.00
C21 H6 N5 O3 Esi-1.0919995 :1	31181.00	27790.00	51736.00	37990.00	26428.00	45767.00	39143.00	40621.00	25332.00	33419.00	34926.00	37245.00	28214.00	26818.00	22316.00	30678.00	41131.00	29792.00	28713.00	26018.00	33375.00	25526.00	45848.00	18426.00	29986.00	33453.00	28901.00	35729.00	30351.00	36153.00
C20 H30 N20	1.00	12165.00	10367.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12489.00	1.00	1.00	12044.00	1.00	1.00	1.00	1.00	1.00	1.00	10364.00	1.00	11112.00	1.00	1.00	31478.00
C14 H24 N3 O2 S Esi-2.8349993	33778.00	62655.00	36132.00	92838.00	11871.00	82282.00	72160.00	80113.00	64165.00	89071.00	120258.00	72632.00	46843.00	96547.00	82024.00	30738.00	71713.00	29021.00	75742.00	64141.00	109636.00	69585.00	62452.00	84959.00	14087.00	64698.00	67613.00	76131.00	104227.00	66746.00
C6 H3 N3 O6 S	61972.00	64740.00	118280.00	90709.00	66374.00	82250.00	88159.00	96172.00	136446.00	84860.00	97793.00	59291.00	1.00	1.00	72549.00	57115.00	69077.00	72398.00	1.00	1.00	67967.00	57296.00	67748.00	70065.00	66312.00	86762.00	55464.00	1.00	54439.00	78084.00
C25 H43 N14 O	1.00	1.00	12181.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11739.00	11067.00	1.00	1.00	1.00	15635.00	1.00	1.00	1.00	1.00	1.00	1.00	12524.00	1.00	14647.00	1.00	1.00	14309.00
C25 H23 N4	1.00	1.00	10701.00	1.00	9986.00	12984.00	10026.00	1.00	10610.00	9857.00	12673.00	12878.00	1.00	13861.00	1.00	1.00	9643.00	1.00	11179.00	1.00	1.00	9251.00	1.00	9635.00	1.00	1.00	1.00	1.00	1.00	1.00
C9 H20 N3 O2	160140.00	151283.00	146145.00	139888.00	144795.00	139401.00	143137.00	121897.00	156342.00	141921.00	135388.00	118163.00	104520.00	124343.00	133651.00	137053.00	140048.00	137563.00	152894.00	127951.00	144948.00	105682.00	135913.00	114267.00	174017.00	145824.00	192378.00	170113.00	174050.00	154298.00
C10 H4 O7 Esi-0.9069997	1.00	15078.00	17165.00	24899.00	18215.00	27797.00	33200.00	16896.00	22858.00	21211.00	17219.00	1.00	27257.00	1.00	23623.00	20279.00	22489.00	48962.00	17579.00	13644.00	28781.00	16962.00	14207.00	16083.00	23188.00	13101.00	14662.00	17548.00	26008.00	20039.00
C22 H44 N3 O3	1.00	11572.00	10227.00	1.00	1.00	1.00	11152.00	1.00	11007.00	1.00	1.00	9580.00	1.00	1.00	13147.00	10411.00	1.00	11055.00	9481.00	1.00	1.00	12600.00	1.00	1.00	10397.00	1.00	9663.00	9317.00	1.00	13322.00
C33 H67 N4 O4	4367.00	8465.00	6635.00	6263.00	4946.00	5374.00	9005.00	7390.00	12046.00	11868.00	6016.00	7175.00	14300.00	5046.00	5526.00	4201.00	4591.00	8826.00	6546.00	6194.00	4993.00	7847.00	6046.00	7118.00	8969.00	8127.00	6593.00	7088.00	7497.00	8633.00
C40 H36 N O	3406.00	5641.00	12595.00	5732.00	9187.00	6207.00	10252.00	9059.00	8568.00	1.00	11825.00	11445.00	6182.00	7149.00	12476.00	7136.00	2496.00	8573.00	7209.00	3157.00	10943.00	8779.00	6469.00	10486.00	11145.00	9940.00	13139.00	5255.00	8410.00	11148.00
C10 H3 Cl3 S2	1.00	1.00	9503.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11897.00	1.00	1.00	1.00	1.00	1.00	11373.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11399.00	1.00	1.00	1.00	1.00
C9 H2 O7 Esi-2.4020002	1.00	1.00	117231.00	1.00	1.00	1.00	1.00	104182.00	1.00	94295.00	1.00	1.00	1.00	1.00	1.00	1.00	123301.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	127322.00	113794.00	1.00	1.00
C3 H6 O4 S Esi-1.111	108871.00	93642.00	85705.00	77464.00	94243.00	96320.00	91947.00	89609.00	99129.00	87475.00	85742.00	84657.00	87757.00	81669.00	96490.00	98243.00	104863.00	115474.00	98591.00	90719.00	106029.00	93631.00	72806.00	70511.00	90403.00	99279.00	102017.00	115636.00	105796.00	114284.00
C7 H6 O2 Esi-1.1100003	16936.00	17138.00	18185.00	27731.00	12888.00	20823.00	17552.00	12769.00	18587.00	28508.00	20458.00	25692.00	24181.00	18340.00	19610.00	17076.00	16578.00	19862.00	18955.00	32333.00	21063.00	19576.00	25907.00	24255.00	21417.00	19087.00	20637.00	24642.00	21114.00	27279.00
C28 H50 N12 Esi-1.0779996	17141.00	32950.00	44296.00	17744.00	25441.00	13917.00	54179.00	31086.00	42129.00	13002.00	28559.00	21494.00	24503.00	27526.00	35615.00	36355.00	10363.00	72694.00	30713.00	30919.00	50991.00	42440.00	32035.00	31629.00	41743.00	48139.00	50384.00	24702.00	34781.00	39026.00
all-trans-heptaprenyl diphosphate	1.00	13263.00	12882.00	1.00	1.00	1.00	17996.00	1.00	13160.00	13420.00	1.00	1.00	1.00	1.00	15408.00	10104.00	1.00	15744.00	1.00	11727.00	11330.00	1.00	1.00	11229.00	1.00	1.00	1.00	1.00	1.00	1.00
C5 H6 N4 O5 Esi-1.4970001	1.00	55748.00	127268.00	90652.00	65664.00	72897.00	98926.00	155985.00	75704.00	112059.00	77379.00	51908.00	1.00	71900.00	180680.00	62068.00	62623.00	121513.00	1.00	1.00	41911.00	63772.00	142515.00	1.00	78758.00	49052.00	44894.00	107968.00	142483.00	140217.00
C17 H26 O4 Esi-1.0580002 :2	494925.00	81961.00	70620.00	66053.00	469162.00	562417.00	71747.00	72334.00	61279.00	51380.00	483289.00	80068.00	382962.00	61593.00	80411.00	347795.00	419102.00	79726.00	79303.00	84221.00	77895.00	411072.00	69069.00	74595.00	422542.00	56747.00	70264.00	77034.00	73702.00	54553.00
C14 H N S2 Esi-1.059 :3	1.00	91548.00	63337.00	103852.00	85782.00	71630.00	69614.00	71355.00	76164.00	11311.00	82508.00	78793.00	95327.00	55183.00	81134.00	75256.00	40125.00	75799.00	62389.00	68703.00	58840.00	47938.00	38173.00	78576.00	36687.00	69518.00	26311.00	61955.00	50342.00	73392.00
C4 H5 Cl N O Esi-5.3180003	53027.00	40134.00	57297.00	183259.00	45196.00	32024.00	51369.00	229399.00	58010.00	47793.00	1.00	56810.00	73435.00	230545.00	78572.00	55322.00	37609.00	59269.00	244401.00	44334.00	151576.00	1.00	46615.00	148476.00	59983.00	1.00	1.00	62328.00	55907.00	57523.00
C19 H38 N9 O2	6098.00	5537.00	8039.00	5548.00	7666.00	7175.00	5674.00	5870.00	6026.00	7167.00	5403.00	4562.00	7463.00	4694.00	3858.00	9011.00	6499.00	8909.00	9663.00	6304.00	5997.00	2159.00	6945.00	4467.00	9448.00	7714.00	9525.00	8228.00	6266.00	9885.00
C4 H2 O3 S2 Esi-0.94899994 :1	34775.00	1.00	45152.00	1.00	1.00	8976.00	93123.00	54229.00	1.00	34226.00	36162.00	13058.00	1.00	11125.00	112966.00	17635.00	41355.00	1.00	12973.00	83382.00	10363.00	24792.00	1.00	10745.00	35063.00	31139.00	44584.00	14869.00	1.00	13851.00
C9 H4 N O10 S Esi-5.6089993	440568.00	425383.00	419396.00	415511.00	457856.00	434887.00	454251.00	441526.00	428533.00	413381.00	392636.00	13995.00	406783.00	446342.00	452670.00	421541.00	458044.00	445995.00	480242.00	425422.00	454424.00	423170.00	415544.00	433399.00	451641.00	458425.00	459779.00	455537.00	427751.00	438962.00
C34 H43 N7 O4	1.00	1.00	12017.00	1.00	1.00	10316.00	1.00	1.00	1.00	1.00	1.00	11664.00	1.00	1.00	1.00	1.00	1.00	1.00	10011.00	1.00	1.00	1.00	1.00	9723.00	1.00	1.00	1.00	1.00	1.00	1.00
C31 H50 N15 O	2522.00	6138.00	4782.00	4431.00	5678.00	3384.00	11953.00	3149.00	7472.00	6015.00	7565.00	5317.00	2451.00	4081.00	5344.00	4481.00	4005.00	6626.00	9346.00	8366.00	7767.00	8922.00	4165.00	5994.00	6132.00	4962.00	4920.00	5963.00	6176.00	6911.00
C6 H4 N O8 S3	8911.00	9886.00	6677.00	1.00	1.00	2927.00	4547.00	3668.00	8851.00	7529.00	6501.00	1.00	2647.00	3687.00	3753.00	8551.00	6863.00	5497.00	2866.00	3676.00	1.00	3866.00	2830.00	2852.00	7731.00	7071.00	8360.00	10024.00	8060.00	7820.00
C8 S2 Esi-2.0369995	174596.00	61609.00	104030.00	154673.00	155496.00	60462.00	165850.00	66395.00	135396.00	182296.00	158976.00	106695.00	51763.00	172463.00	60842.00	172465.00	141615.00	140752.00	42671.00	100183.00	189723.00	138987.00	153519.00	141449.00	135958.00	52833.00	48735.00	48291.00	176169.00	55422.00
C6 H3 O6 S Esi-5.192001	57862.00	55966.00	45185.00	86794.00	37088.00	25600.00	41455.00	1.00	52315.00	65954.00	14602.00	1.00	47928.00	18277.00	78077.00	116693.00	74140.00	45188.00	48717.00	48503.00	39572.00	124786.00	43268.00	41175.00	1.00	1.00	50225.00	50941.00	34989.00	1.00
C19 H34 N14	1.00	1.00	12214.00	1.00	10170.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	20076.00	1.00	12081.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C7 H6 O2 Esi-1.1100003 :1	28236.00	18199.00	26868.00	28552.00	1.00	30239.00	17324.00	14418.00	21294.00	27554.00	28098.00	26021.00	24874.00	25788.00	25917.00	17466.00	23677.00	22410.00	25209.00	32743.00	21618.00	19530.00	26582.00	35746.00	21656.00	24639.00	20903.00	28683.00	20852.00	32827.00
C33 H50 Cl N4	1.00	9736.00	11587.00	1.00	9899.00	1.00	10561.00	10460.00	14262.00	10014.00	26618.00	10374.00	11229.00	11279.00	14957.00	9529.00	1.00	15711.00	1.00	11868.00	1.00	15455.00	1.00	12776.00	1.00	1.00	13802.00	1.00	9789.00	10223.00
C7 H3 N3 O7 Esi-2.044	1.00	1.00	15662.00	1.00	1.00	1.00	1.00	1.00	14559.00	1.00	1.00	1.00	1.00	1.00	19616.00	1.00	1.00	21954.00	1.00	17746.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	23133.00
C25 H12 N2 S Esi-1.059	42694.00	48007.00	90641.00	52946.00	42286.00	75840.00	60849.00	67397.00	44513.00	51297.00	57540.00	66366.00	45340.00	39221.00	45999.00	53196.00	62871.00	58471.00	51083.00	37989.00	62108.00	55518.00	97163.00	46637.00	68202.00	63534.00	51079.00	68154.00	57102.00	77838.00
C26 H22 N O2 Esi-1.0599996	43214.00	64520.00	68651.00	56196.00	62539.00	79748.00	63845.00	54375.00	52596.00	57652.00	42074.00	66749.00	67281.00	64832.00	62314.00	67246.00	48777.00	56656.00	81564.00	67229.00	59470.00	67394.00	37820.00	56727.00	41600.00	66832.00	56376.00	75106.00	68231.00	57603.00
C17 H23 N4 O6	49124.00	67920.00	73514.00	59900.00	66133.00	85309.00	69222.00	58577.00	57343.00	55430.00	48149.00	73290.00	72102.00	67668.00	67636.00	72495.00	58060.00	59571.00	87923.00	71503.00	64972.00	63796.00	40924.00	59623.00	46857.00	70224.00	1.00	82627.00	73532.00	62300.00
C32 H20 N6 O29 S Esi-9.502	1.00	1.00	29287.00	15507.00	1.00	1.00	1.00	1.00	13616.00	1.00	11859.00	1.00	1.00	1.00	26225.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C28 H43 N10 O3 Esi-6.5879984	57460.00	123419.00	106985.00	12767.00	76323.00	78407.00	120480.00	44745.00	106143.00	70929.00	36134.00	99420.00	77921.00	37195.00	62168.00	130649.00	214030.00	138622.00	86721.00	134603.00	73463.00	66960.00	87154.00	124242.00	100596.00	59605.00	59571.00	120713.00	71324.00	47547.00
C8 H3 N O8 S2 Esi-2.6930006 :2	399828.00	401561.00	389531.00	401306.00	405520.00	397601.00	415184.00	412127.00	392645.00	416658.00	228249.00	423461.00	408249.00	413086.00	422298.00	442844.00	418045.00	423461.00	423636.00	404398.00	420451.00	394876.00	428261.00	425272.00	437536.00	414026.00	427516.00	401920.00	404924.00	433079.00
C34 H43 N7 O4 Esi-1.0529996	5295.00	12006.00	8826.00	6003.00	8585.00	7175.00	10962.00	9306.00	7483.00	7069.00	7656.00	8558.00	6263.00	6979.00	7290.00	6005.00	6774.00	8831.00	9066.00	8301.00	8393.00	11873.00	6808.00	6517.00	4558.00	6899.00	5672.00	10573.00	7425.00	8302.00
C15 H20 N12 O2	45473.00	54468.00	54125.00	49571.00	45550.00	47905.00	60609.00	54661.00	58371.00	72439.00	73638.00	62888.00	9061.00	46056.00	51299.00	75985.00	85119.00	54078.00	60749.00	47381.00	55448.00	42453.00	62339.00	56706.00	8603.00	65333.00	65285.00	44958.00	90100.00	60207.00
C9 H O S2	1.00	21771.00	15425.00	1.00	14196.00	14542.00	1.00	1.00	22483.00	1.00	1.00	16680.00	18412.00	1.00	1.00	25914.00	1.00	25017.00	25547.00	29546.00	1.00	1.00	1.00	1.00	27189.00	1.00	1.00	15062.00	1.00	1.00
C6 H3 N S3 Esi-1.0541002	55860.00	16762.00	17584.00	68303.00	14771.00	16020.00	14830.00	28894.00	122489.00	13568.00	15972.00	33722.00	95939.00	62663.00	26808.00	13514.00	12016.00	95242.00	35051.00	18774.00	15322.00	69754.00	57391.00	52892.00	31360.00	16012.00	14568.00	57052.00	13991.00	15847.00
C38 H38 N3	4451.00	4709.00	6229.00	6123.00	8525.00	6722.00	4154.00	5576.00	7019.00	1.00	8933.00	8047.00	5038.00	7610.00	5924.00	5869.00	3306.00	6329.00	10712.00	4466.00	7577.00	7714.00	6229.00	10227.00	6670.00	6283.00	7334.00	5627.00	6681.00	7869.00
C14 H24 O3	1.00	15690.00	30025.00	1.00	1.00	1.00	1.00	1.00	18570.00	1.00	1.00	11264.00	23837.00	1.00	1.00	1.00	1.00	23344.00	18893.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	21644.00	1.00	1.00	31110.00
C29 H51 N3 O8 Esi-6.559001	81276.00	182623.00	144637.00	23912.00	91730.00	108881.00	236163.00	90229.00	266844.00	164150.00	74023.00	137002.00	72394.00	72918.00	77228.00	183783.00	178342.00	252025.00	125652.00	115876.00	108367.00	86375.00	152322.00	175516.00	169279.00	99624.00	64268.00	127335.00	102076.00	93849.00
C15 H33 Cl N2 O4	24710.00	31322.00	24879.00	24363.00	20708.00	28687.00	26728.00	19135.00	20846.00	24414.00	19104.00	26237.00	30171.00	23462.00	13747.00	27589.00	18442.00	25472.00	38690.00	32627.00	30314.00	22539.00	18550.00	14692.00	27110.00	23216.00	24307.00	33118.00	27621.00	36019.00
C5 H O6 S Esi-1.0599996 :1	1.00	36988.00	33110.00	40390.00	46412.00	36046.00	60155.00	33684.00	53757.00	14951.00	34959.00	47739.00	26714.00	32357.00	70182.00	27100.00	19141.00	37900.00	82927.00	45005.00	29177.00	46194.00	23840.00	27139.00	24592.00	27055.00	25566.00	44988.00	29767.00	34442.00
C7 H6 O3 Esi-1.232	29329.00	29583.00	57645.00	12734.00	28883.00	41607.00	25189.00	17912.00	15624.00	32091.00	20352.00	30120.00	19919.00	813211.00	40924.00	27212.00	33607.00	20665.00	725350.00	20128.00	22411.00	54332.00	91141.00	1.00	88599.00	30239.00	47855.00	875751.00	41575.00	62440.00
C35 H20 N4 O4	4985.00	3826.00	5555.00	7906.00	5707.00	6864.00	4177.00	6335.00	3894.00	5225.00	3233.00	6327.00	8434.00	6045.00	4066.00	7120.00	5513.00	2961.00	8927.00	7844.00	6611.00	4049.00	5061.00	6564.00	3270.00	4552.00	2693.00	8810.00	6372.00	6901.00
C11 H6 O6 Esi-2.2869997	279419.00	299666.00	299657.00	257788.00	299783.00	1.00	331082.00	403875.00	203184.00	411498.00	234101.00	185589.00	1.00	323719.00	275307.00	273912.00	301648.00	210361.00	211254.00	301596.00	1.00	1.00	1.00	1.00	201396.00	1.00	251344.00	1.00	364962.00	1.00
C42 H49 N2	1.00	1.00	15669.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16915.00	1.00	11433.00	11666.00	13179.00	1.00	1.00	19658.00	1.00	1.00	12298.00	20114.00	1.00	1.00	12666.00	1.00	19858.00	1.00	1.00	14443.00
C16 H22 O4 Esi-1.118	26433.00	30374.00	17024.00	17191.00	26840.00	23531.00	14969.00	20926.00	1.00	25328.00	20624.00	19485.00	34607.00	1.00	19560.00	23012.00	23607.00	14324.00	22120.00	18152.00	17968.00	16864.00	17763.00	1.00	24556.00	22968.00	23761.00	26081.00	28566.00	22255.00
C32 H58 N3 O4 Esi-1.073	1.00	28160.00	42098.00	16668.00	23063.00	14777.00	53706.00	18252.00	52120.00	1.00	35950.00	21702.00	20920.00	29341.00	32412.00	25221.00	1.00	56889.00	25748.00	24824.00	26358.00	63398.00	25358.00	30391.00	38419.00	32305.00	52779.00	32898.00	36797.00	44265.00
C6 H8 Cl Esi-4.103 :1	106278.00	201492.00	97928.00	157161.00	1.00	1.00	1.00	239920.00	84784.00	1.00	1.00	50759.00	248588.00	1.00	1.00	1.00	1.00	1.00	52711.00	77340.00	264201.00	1.00	1.00	1.00	83506.00	1.00	399893.00	1.00	1.00	1.00
C6 Cl O4 S3	26130.00	9173.00	19550.00	1.00	1.00	13560.00	11035.00	23548.00	16300.00	17793.00	18265.00	14306.00	15595.00	15643.00	15689.00	18462.00	22912.00	22280.00	13915.00	16301.00	15422.00	16233.00	18219.00	20907.00	23974.00	17700.00	1.00	18019.00	15883.00	18200.00
C6 H3 N S3 Esi-1.0260712	33989.00	13283.00	15580.00	67109.00	14518.00	13888.00	14349.00	29165.00	29844.00	12783.00	56731.00	31297.00	19153.00	14313.00	19909.00	12985.00	1.00	57472.00	34959.00	16232.00	12427.00	30678.00	1.00	52598.00	31041.00	69097.00	13702.00	32681.00	13703.00	30550.00
C25 H24 N O3 Esi-1.0839998	24515.00	28415.00	18662.00	31775.00	16152.00	19668.00	11296.00	25602.00	68058.00	12003.00	29829.00	12415.00	25510.00	17190.00	18285.00	37602.00	30890.00	26632.00	33487.00	42898.00	32359.00	21251.00	30305.00	18802.00	23487.00	31624.00	17391.00	14215.00	34088.00	27496.00
C6 H3 O6 S Esi-5.116999	32843.00	97364.00	58294.00	103511.00	89312.00	37214.00	70579.00	48658.00	52590.00	70935.00	58169.00	94571.00	72561.00	46902.00	84436.00	129472.00	105111.00	58481.00	57695.00	49433.00	46144.00	139105.00	44326.00	98148.00	13314.00	57975.00	95183.00	57237.00	44938.00	46160.00
C14 H40 N15 O2	7672.00	2616.00	8347.00	3856.00	6623.00	3884.00	4273.00	6059.00	4057.00	27363.00	3983.00	4175.00	5473.00	2052.00	2286.00	5717.00	3502.00	5698.00	4651.00	5258.00	4017.00	2337.00	4669.00	3067.00	8896.00	6587.00	6289.00	5402.00	9508.00	6425.00
C6 H O8 S Esi-1.0867336	36141.00	131183.00	17722.00	63820.00	118037.00	93947.00	141018.00	168416.00	24558.00	109603.00	58218.00	10254.00	83792.00	51313.00	98022.00	66765.00	46554.00	46850.00	260039.00	85963.00	102448.00	182554.00	51550.00	97059.00	148421.00	110437.00	27172.00	260017.00	34313.00	23111.00
?-D-Glucose Esi-2.7830005	1.00	20311.00	18604.00	1.00	25816.00	16071.00	20272.00	20643.00	1.00	1.00	1.00	16894.00	1.00	1.00	1.00	1.00	19312.00	19386.00	1.00	24245.00	1.00	1.00	23343.00	1.00	1.00	38192.00	1.00	18949.00	19141.00	18307.00
C5 H8 N3 O S	53653.00	46047.00	47630.00	41308.00	26471.00	36771.00	48296.00	41355.00	51470.00	34504.00	34972.00	38557.00	30900.00	32772.00	53956.00	40620.00	35692.00	64833.00	48579.00	61557.00	41380.00	26406.00	35845.00	45282.00	29264.00	26585.00	37054.00	62012.00	46198.00	59216.00
C4 H8 O3 S Esi-1.2339998 :1	30203.00	13925.00	14938.00	11115.00	22099.00	25357.00	18310.00	26934.00	12693.00	10857.00	12641.00	11951.00	18918.00	15404.00	25455.00	14102.00	16423.00	18990.00	21183.00	15681.00	24629.00	28080.00	12567.00	14103.00	8554.00	35588.00	13910.00	16131.00	14483.00	12676.00
C22 H40 Cl2 N2	5995.00	17158.00	5500.00	5271.00	5035.00	8509.00	7015.00	6693.00	6329.00	12804.00	2412.00	7852.00	5063.00	1.00	8374.00	6732.00	6803.00	3087.00	5981.00	6559.00	5102.00	2675.00	4906.00	3163.00	5488.00	1790.00	3888.00	6597.00	1413.00	1.00
C8 H4 N O6 S3	25044.00	11227.00	8336.00	6115.00	2772.00	6108.00	4466.00	12210.00	1.00	14440.00	31423.00	22690.00	6041.00	9275.00	46430.00	4007.00	3803.00	2152.00	6299.00	6836.00	10780.00	13375.00	4136.00	13536.00	3330.00	7228.00	5997.00	6503.00	29813.00	2579.00
C9 H2 N3 O2 S2	3183667.00	4963948.00	1.00	14400000.00	1.00	2772950.00	1.00	1586383.00	1.00	963678.00	4195996.00	4233486.00	1.00	3435184.00	1.00	1833189.00	215434.00	1.00	166851.00	4792908.00	8987740.00	3398379.00	456509.00	4374893.00	133966.00	6020479.00	2359472.00	1.00	2902962.00	27402.00
C18 H26 O7	1756525.00	1726386.00	1.00	385270.00	1520000.00	3420339.00	1860871.00	966556.00	1.00	2436078.00	1368541.00	2669720.00	11300000.00	1443294.00	4574648.00	594118.00	1425269.00	1.00	4532322.00	2287864.00	2007686.00	2449017.00	1430545.00	1466134.00	2343843.00	1421631.00	820207.00	1559533.00	1719880.00	2112233.00
C5 H7 N5 O2	6273.00	1.00	1.00	1.00	3075733.00	2770812.00	1818038.00	3534219.00	2676.00	14151.00	1.00	1.00	1.00	3478.00	4050803.00	4739.00	3068316.00	8851.00	3468541.00	3862.00	2066227.00	5430036.00	1091161.00	1.00	3831.00	4573124.00	3105.00	3255901.00	3268.00	7966.00
C4 H5 N3	1.00	1.00	1.00	1.00	1574872.00	1409819.00	919398.00	1855952.00	1.00	1.00	1.00	1.00	1.00	1.00	2159917.00	1.00	1558082.00	1.00	1850819.00	1.00	1028109.00	2834642.00	522294.00	1.00	1.00	2378085.00	1.00	1671286.00	1.00	1.00
C3 H4 N2 S2	1.00	1.00	1.00	1.00	902917.00	821672.00	428632.00	794657.00	1.00	1.00	1.00	1.00	1.00	1.00	918528.00	1.00	788446.00	1.00	871682.00	1.00	425613.00	1475233.00	214245.00	1.00	1.00	1082673.00	1.00	755003.00	1.00	1.00
C18 H26 O7 Esi-2.5410001	270796.00	241481.00	1.00	67190.00	199056.00	400687.00	259238.00	126327.00	1.00	343511.00	243618.00	393599.00	1612340.00	231027.00	623507.00	93926.00	175054.00	1.00	527285.00	303812.00	294782.00	399941.00	233419.00	181307.00	285152.00	176612.00	121959.00	183598.00	291183.00	282400.00
C31 H19 N8 O27 S Esi-5.792	1.00	626271.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	870445.00	1.00	1.00	1.00	1.00	1.00	161871.00	1.00	1.00	1.00	1.00	997523.00	1891077.00	1.00	565095.00	1363225.00	1.00	959418.00	1112518.00
C3 H6 O3 Esi-4.1059995	759155.00	2723811.00	1.00	2104773.00	1894840.00	1.00	1.00	2304346.00	1.00	962782.00	2051536.00	1201330.00	1.00	1.00	1.00	1.00	1944496.00	1.00	2153020.00	1690508.00	1.00	1.00	1.00	1.00	1.00	973828.00	3948283.00	1.00	899996.00	1.00
C5 H7 N3 O2	1.00	1.00	1.00	1.00	1543239.00	1381093.00	899333.00	1818487.00	1.00	1.00	1.00	1.00	1.00	1.00	2087526.00	1.00	1521870.00	1.00	1803911.00	1.00	1004898.00	2774032.00	509891.00	1.00	1.00	2326972.00	1.00	1621666.00	1.00	1.00
C18 H26 O7 Esi-2.3650007	1756525.00	1726386.00	1.00	385270.00	1520000.00	3417225.00	1860871.00	966556.00	1.00	2435471.00	1368541.00	2669068.00	11300000.00	1443294.00	4567946.00	594118.00	1425269.00	1.00	4527009.00	2287864.00	2007158.00	2448676.00	1430545.00	1466134.00	2343843.00	1421631.00	820207.00	1559533.00	1719880.00	2112233.00
C4 H5 N5 O2	1.00	15311.00	1.00	1.00	369660.00	200934.00	182240.00	384595.00	1.00	39038.00	1.00	1.00	16614.00	1.00	557787.00	1.00	244886.00	1.00	314977.00	33632.00	130549.00	1084733.00	54688.00	1.00	1.00	308991.00	1.00	170779.00	1.00	1.00
C11 H7 N7 O3	646026.00	40092.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	64696.00	1.00	1.00	48685.00	1076449.00	1.00	63443.00	1.00	1.00	1.00	70784.00	1.00	1.00	1.00	855165.00	595786.00	441143.00	1.00	1.00	1.00	337443.00
C5 H5 N3 O	1.00	1.00	1.00	1.00	527765.00	475710.00	312828.00	627129.00	1.00	1.00	1.00	1.00	1.00	1.00	721401.00	1.00	523446.00	1.00	619095.00	1.00	349523.00	959549.00	178150.00	1.00	1.00	804464.00	1.00	554242.00	1.00	1.00
C8 H8 O6 S	28324.00	76942.00	1.00	16995.00	1.00	1.00	32891.00	121732.00	1.00	138109.00	55571.00	590918.00	1.00	13849.00	17163.00	23195.00	1.00	11393.00	808163.00	131522.00	31768.00	1.00	159809.00	16597.00	145434.00	28071.00	238472.00	25560.00	305452.00	491312.00
C18 H26 O8	129332.00	266404.00	1.00	38276.00	287958.00	637734.00	86391.00	186982.00	1.00	298836.00	212897.00	232724.00	412474.00	216958.00	253305.00	131879.00	444088.00	1.00	292301.00	230656.00	176015.00	568148.00	246784.00	158551.00	323558.00	334627.00	105394.00	250145.00	163787.00	142247.00
C15 H3 N3 O18	1.00	31023.00	1.00	644629.00	1.00	1.00	1.00	1.00	1.00	1.00	12929.00	17296.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	20677.00	219716.00	1.00	1.00	17544.00	1.00	55422.00	1.00	1.00	1.00	1.00
C14 H2 O S2	140238.00	211119.00	1.00	652340.00	1.00	123755.00	1.00	68635.00	1.00	40616.00	180060.00	188285.00	1.00	148028.00	1.00	80711.00	10829.00	1.00	1.00	208499.00	394976.00	150046.00	21629.00	185702.00	1.00	259142.00	102882.00	1.00	123953.00	1.00
C13 H22 N5 O9	82400.00	83873.00	1.00	23106.00	73590.00	157885.00	87970.00	47290.00	1.00	125747.00	63009.00	125350.00	489539.00	68005.00	209062.00	33961.00	67239.00	1.00	209008.00	105099.00	96298.00	115966.00	67132.00	70230.00	105688.00	67315.00	40144.00	71931.00	77444.00	98464.00
C13 H8 N6 O4 S	138909.00	316735.00	1.00	279692.00	1.00	136354.00	1.00	24795.00	1.00	1.00	51051.00	74751.00	1.00	87842.00	1.00	32576.00	1.00	1.00	1.00	375689.00	436752.00	42024.00	1.00	232791.00	1.00	516346.00	60947.00	1.00	39085.00	1.00
Creatinine Esi-1.2530001	1.00	1.00	1.00	1.00	1270869.00	1145281.00	745050.00	1516429.00	1.00	1.00	1.00	1.00	1.00	1.00	1745937.00	1.00	1289638.00	1.00	1520732.00	1.00	847090.00	2320211.00	428861.00	1.00	1.00	1907648.00	1.00	1361709.00	1.00	1.00
C16 H19 N3 O4 S	158936.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	404402.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	280322.00	158065.00	174131.00	1.00	1.00	1.00	55644.00
C15 H4 N O16 S2	35512.00	133813.00	1.00	409187.00	1.00	26152.00	1.00	1.00	1.00	1.00	73000.00	84733.00	1.00	40503.00	1.00	1.00	1.00	1.00	1.00	106037.00	346743.00	46490.00	1.00	92744.00	1.00	189933.00	13404.00	1.00	25155.00	1.00
Evocarpine	1.00	37254.00	1.00	1.00	38930.00	61514.00	1.00	1.00	1.00	1.00	1.00	1.00	33539.00	1.00	10629.00	10418.00	1.00	1.00	27115.00	359296.00	1.00	1.00	1.00	1.00	1.00	20180.00	1.00	10555.00	1.00	88203.00
C5 H9 N5 O3	1.00	1.00	1.00	1.00	358654.00	201012.00	139700.00	239843.00	1.00	1.00	1.00	1.00	1.00	1.00	291256.00	1.00	218701.00	1.00	254969.00	593231.00	156934.00	398163.00	82929.00	1.00	1.00	330874.00	188546.00	239213.00	1.00	1.00
C9 H11 N3 O3 S	200573.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	320214.00	1.00	20236.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	253454.00	175887.00	135838.00	1.00	1.00	1.00	109194.00
C11 H14 N2 O5	100998.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	26755.00	1.00	1.00	1.00	36735.00	44824.00	19150.00	1.00	19131.00	1.00	1.00	1.00	9932.00	1.00	37157.00	124760.00	20043.00	50031.00	11470.00	1.00	35583.00
C3 H5 N3 O	1.00	1.00	1.00	1.00	98637.00	57495.00	52817.00	95689.00	1.00	1.00	1.00	1.00	1.00	1.00	151117.00	1.00	70091.00	1.00	85464.00	1.00	35833.00	275970.00	14806.00	1.00	1.00	79781.00	1.00	45352.00	1.00	1.00
C9 H13 N7 O2 S	1.00	1.00	1.00	1.00	85213.00	94586.00	63604.00	151891.00	1.00	1.00	1.00	1.00	1.00	1.00	134486.00	1.00	164700.00	1.00	152878.00	1.00	100122.00	234704.00	34787.00	1.00	1.00	85229.00	1.00	105909.00	1.00	1.00
C14 H12 N8 O8 S2	175472.00	1.00	1.00	1.00	1.00	42651.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	113359.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	84544.00	1.00	1.00	1.00	1.00
C6 H9 N3 O3	1.00	106014.00	1.00	31297.00	142498.00	120573.00	84217.00	138991.00	169367.00	16111.00	1.00	1.00	1.00	1.00	162399.00	1.00	126259.00	1.00	137690.00	179175.00	93893.00	208108.00	53694.00	1.00	1.00	192179.00	101951.00	134420.00	1.00	1.00
C16 H9 N6 O12 S2	24436.00	70130.00	1.00	186957.00	1.00	15149.00	1.00	1.00	1.00	1.00	39163.00	58019.00	1.00	23897.00	1.00	1.00	1.00	1.00	1.00	55765.00	166396.00	27056.00	1.00	46296.00	1.00	89588.00	1.00	1.00	16246.00	1.00
C3 H3 Cl N3 S Esi-1.741	1.00	255928.00	1.00	287349.00	256821.00	264961.00	267446.00	230809.00	251983.00	231408.00	294613.00	203799.00	265182.00	168305.00	262797.00	1.00	294984.00	1.00	272024.00	213097.00	313323.00	265990.00	280299.00	233789.00	261609.00	244652.00	311908.00	231002.00	290769.00	1.00
didesmethyl tocotrienol	18430.00	22497.00	1.00	1.00	16299.00	1.00	1.00	157214.00	1.00	10504.00	16251.00	1.00	1.00	27163.00	50844.00	12156.00	1.00	1.00	60346.00	98144.00	1.00	11532.00	27358.00	35121.00	51764.00	13108.00	19721.00	42728.00	54761.00	10464.00
C8 H7 N4 O S	1.00	1.00	1.00	1.00	139489.00	120853.00	84217.00	139027.00	1.00	1.00	1.00	1.00	1.00	1.00	162367.00	1.00	126259.00	1.00	137690.00	1.00	93893.00	207847.00	53694.00	1.00	1.00	189751.00	1.00	133424.00	1.00	1.00
C11 H20 N2 O7 S	186825.00	1.00	1.00	1.00	28691.00	22497.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	30950.00	1.00	1.00	43547.00	1.00	1.00	1.00	18717.00	1.00	21247.00	1.00	1.00
C12 H18 O5 S	50496.00	34352.00	1.00	9689.00	64984.00	60367.00	1.00	60732.00	1.00	89372.00	124268.00	61944.00	106480.00	78632.00	51622.00	92704.00	98806.00	1.00	134667.00	162042.00	20635.00	147237.00	54783.00	29718.00	30950.00	22453.00	47366.00	36203.00	145577.00	20717.00
C9 H2 N3 O5 S3	1.00	9756.00	1.00	175498.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	63128.00	1.00	1.00	1.00	1.00	17244.00	1.00	1.00	1.00	1.00
8,11,14-octadecatriynoic acid	1.00	15637.00	1.00	1.00	18081.00	23326.00	1.00	1.00	1.00	1.00	1.00	1.00	69534.00	1.00	1.00	13729.00	1.00	1.00	14001.00	156508.00	1.00	1.00	1.00	1.00	1.00	14712.00	1.00	14624.00	1.00	48861.00
C5 H5 N3 O Esi-1.255	1.00	1.00	1.00	1.00	527765.00	475710.00	312828.00	627129.00	1.00	1.00	1.00	1.00	1.00	1.00	721401.00	1.00	523965.00	1.00	619005.00	1.00	349523.00	959549.00	178150.00	1.00	1.00	803877.00	1.00	549630.00	1.00	1.00
C9 H13 N7 O2 S Esi-5.4479995	1.00	1.00	1.00	1.00	54245.00	58692.00	40265.00	98814.00	1.00	1.00	1.00	1.00	1.00	1.00	82274.00	1.00	105074.00	1.00	104600.00	1.00	66823.00	155290.00	22227.00	1.00	1.00	54652.00	1.00	66132.00	1.00	1.00
C4 H10 N O5 S	201731.00	1.00	1.00	83805.00	69992.00	99627.00	100677.00	120759.00	85281.00	127559.00	34934.00	105582.00	1.00	71020.00	88757.00	1.00	76374.00	1.00	90457.00	187475.00	1.00	1.00	50184.00	111395.00	86117.00	31874.00	1.00	1.00	115706.00	204583.00
C3 H4 N2 S2 Esi-4.437	1.00	1.00	1.00	1.00	70957.00	65432.00	31392.00	64279.00	1.00	1.00	1.00	1.00	1.00	1.00	118487.00	1.00	76665.00	1.00	81462.00	1.00	31232.00	183087.00	45097.00	1.00	1.00	76311.00	1.00	44683.00	1.00	1.00
C5 N2 O3 S3	1.00	1.00	1.00	1.00	93171.00	89251.00	40179.00	84434.00	1.00	1.00	1.00	1.00	1.00	1.00	85244.00	1.00	64829.00	1.00	74742.00	1.00	30938.00	146200.00	17534.00	1.00	1.00	88336.00	1.00	60487.00	1.00	1.00
C9 H2 N2 O5 S Esi-5.928001	27388.00	239811.00	1.00	41091.00	31020.00	1.00	1.00	70746.00	55555.00	19567.00	49563.00	49416.00	1.00	37117.00	91365.00	57773.00	119865.00	1.00	1.00	1.00	22874.00	37306.00	43667.00	48177.00	35548.00	68783.00	1.00	30422.00	30802.00	1.00
C18 H26 O7 Esi-2.5410001 :1	270796.00	241481.00	1.00	67190.00	199056.00	400687.00	259238.00	126327.00	1.00	343511.00	243618.00	393599.00	1612340.00	231025.00	623507.00	93926.00	175054.00	1.00	527285.00	303812.00	294782.00	399941.00	233419.00	181307.00	285152.00	176612.00	121959.00	183598.00	291183.00	282400.00
C4 H8 O3 Esi-3.7799997	1.00	779234.00	1.00	791557.00	928910.00	865895.00	1.00	312014.00	1.00	1.00	424495.00	325535.00	1.00	1.00	1.00	1.00	1.00	1.00	181042.00	893530.00	990499.00	1.00	633343.00	1.00	1.00	883882.00	386460.00	1.00	1.00	1.00
Undecanedioic acid	27583.00	14066.00	1.00	1.00	17749.00	22781.00	1.00	1.00	1.00	1.00	1.00	1.00	51551.00	1.00	1.00	14499.00	1.00	1.00	13949.00	126104.00	1.00	1.00	1.00	1.00	1.00	15080.00	1.00	14513.00	1.00	41643.00
C7 S5	1.00	1.00	1.00	1.00	79939.00	60523.00	75312.00	100828.00	1.00	1.00	1.00	1.00	1.00	1.00	63972.00	1.00	89923.00	1.00	90608.00	1.00	49825.00	121642.00	61148.00	1.00	1.00	77445.00	1.00	133555.00	1.00	1.00
Creatinine Esi-1.2530001 :1	1.00	1.00	1.00	1.00	1275323.00	1149179.00	749564.00	1518237.00	1.00	1.00	1.00	1.00	1.00	1.00	1741184.00	1.00	1293363.00	1.00	1522669.00	1.00	850637.00	2345357.00	432729.00	1.00	1.00	1911290.00	1.00	1355523.00	1.00	1.00
C10 H12 N6 O3 S	1.00	1.00	1.00	1.00	36254.00	23937.00	12912.00	37011.00	1.00	1.00	1.00	1.00	1.00	1.00	43693.00	1.00	37593.00	1.00	44432.00	1.00	23964.00	108347.00	1.00	1.00	1.00	31867.00	1.00	37738.00	1.00	1.00
C9 H14 N8 O2 S	1.00	1.00	1.00	1.00	97053.00	93211.00	66460.00	177178.00	1.00	1.00	1.00	1.00	1.00	1.00	117382.00	1.00	195586.00	1.00	182701.00	1.00	117139.00	225057.00	1.00	1.00	1.00	72067.00	1.00	114283.00	1.00	1.00
C11 H10 N6 O4 S	1.00	1.00	1.00	1.00	33663.00	20627.00	1.00	24523.00	1.00	1.00	1.00	1.00	1.00	1.00	19912.00	1.00	29898.00	1.00	61491.00	1.00	1.00	98310.00	11375.00	1.00	1.00	33836.00	1.00	16081.00	1.00	1.00
C7 H9 O8 S	100015.00	33862.00	1.00	65436.00	57963.00	54805.00	1.00	1.00	1.00	33878.00	1.00	54013.00	1.00	1.00	1.00	1.00	1.00	100851.00	1.00	59109.00	86157.00	37936.00	1.00	73289.00	1.00	89671.00	1.00	67822.00	1.00	1.00
C6 H10 N2 S	1.00	1.00	1.00	1.00	100880.00	88121.00	57124.00	109499.00	1.00	1.00	1.00	1.00	83651.00	1.00	140490.00	1.00	90553.00	41134.00	107219.00	1.00	64426.00	163962.00	39429.00	1.00	1.00	133565.00	26232.00	103526.00	1.00	24019.00
C5 H4 N4 Esi-2.719	1.00	337787.00	1.00	511533.00	1.00	1.00	438943.00	1.00	1.00	1.00	746450.00	422738.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	678886.00	463098.00	413248.00	493451.00	1.00	373460.00	1.00	1.00	1.00	1.00
C19 H10 N O14	1.00	1.00	1.00	1.00	23211.00	15160.00	1.00	17632.00	1.00	1.00	1.00	1.00	1.00	1.00	14401.00	1.00	22495.00	1.00	44503.00	1.00	1.00	77663.00	1.00	1.00	1.00	25539.00	1.00	12617.00	1.00	1.00
C10 H10 N6 O4 S	1.00	1.00	1.00	1.00	73261.00	70067.00	28629.00	71772.00	1.00	1.00	1.00	1.00	1.00	1.00	63458.00	1.00	42669.00	1.00	45777.00	1.00	1.00	91674.00	1.00	1.00	1.00	24304.00	1.00	1.00	1.00	1.00
C14 H6 N2 O16 S2 Esi-5.928001	35869.00	1.00	1.00	238419.00	1.00	17912.00	1.00	1.00	1.00	25970.00	28912.00	64304.00	1.00	102021.00	41447.00	50247.00	41117.00	1.00	1.00	1.00	57676.00	33387.00	1.00	33595.00	1.00	136038.00	17422.00	48608.00	1.00	1.00
C8 H9 N O6 S	56000.00	1.00	1.00	1.00	1.00	70941.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	89058.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	74236.00	1.00	1.00	1.00	1.00
C5 H4 O7	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	97019.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	26161.00	33671.00	1.00	1.00	1.00
C4 H5 N3 O2	1.00	304281.00	1.00	82340.00	73647.00	29981.00	15555.00	63611.00	797535.00	1.00	1.00	1.00	1.00	1.00	36233.00	1.00	31729.00	1.00	59129.00	993358.00	11810.00	125840.00	1.00	1.00	1.00	65253.00	254302.00	46858.00	1.00	1.00
C3 H3 N3	1.00	46574.00	1.00	39956.00	42914.00	19608.00	17025.00	35800.00	101579.00	1.00	1.00	1.00	1.00	1.00	47652.00	1.00	22880.00	1.00	28120.00	82771.00	11622.00	97238.00	1.00	1.00	1.00	28930.00	47703.00	16357.00	1.00	1.00
C12 H10 O3	58046.00	223247.00	1.00	42731.00	129990.00	74909.00	50929.00	82121.00	1.00	41591.00	127629.00	185979.00	31346.00	1.00	1.00	1.00	1.00	1.00	36720.00	101077.00	23693.00	1.00	243014.00	215519.00	171566.00	49089.00	89632.00	1.00	93579.00	59601.00
C11 H8 N6 O6 S2	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	28525.00	1.00	1.00	1.00	1.00	1.00	1.00	78438.00	10096.00	1.00	1.00	14702.00	1.00	23683.00	8877.00	17839.00	53872.00	59689.00	1.00	1.00	1.00
C10 H11 N4 O8	1.00	1.00	1.00	1.00	59735.00	62482.00	47294.00	72346.00	1.00	1.00	1.00	1.00	1.00	1.00	79155.00	1.00	67585.00	1.00	68837.00	1.00	58095.00	87085.00	32093.00	1.00	1.00	83038.00	1.00	67844.00	1.00	1.00
C5 H8 N6 O2	1.00	1.00	1.00	1.00	66495.00	63594.00	44857.00	66170.00	1.00	1.00	1.00	1.00	1.00	1.00	45795.00	1.00	51965.00	1.00	90969.00	1.00	44631.00	75018.00	22463.00	1.00	1.00	52018.00	1.00	49632.00	1.00	1.00
C10 H8 N2 O4 S	1.00	1.00	1.00	1.00	25794.00	16421.00	1.00	21174.00	1.00	1.00	1.00	1.00	1.00	1.00	14216.00	1.00	25335.00	1.00	50084.00	1.00	1.00	80376.00	1.00	1.00	1.00	27502.00	1.00	15795.00	1.00	1.00
C7 H7 N O8	82584.00	1.00	1.00	1.00	1.00	24138.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	52286.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	39475.00	1.00	1.00	1.00	1.00
C8 H9 N O2	83091.00	1.00	1.00	1.00	1.00	12376.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	31199.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	27569.00	1.00	1.00	1.00	1.00
Granisetron metabolite 3 glucuronide	21008.00	27403.00	1.00	1.00	32757.00	85374.00	1.00	24707.00	1.00	42296.00	44672.00	24488.00	65292.00	36792.00	31663.00	1.00	49377.00	1.00	36564.00	25271.00	27432.00	71118.00	26933.00	22963.00	33462.00	35509.00	1.00	29602.00	27633.00	1.00
C9 H4 O3 Esi-2.187	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	184319.00	1.00	1.00	121859.00	152496.00	1.00	1.00	104564.00	1.00	1.00	1.00	1.00	229030.00	1.00	205851.00	1.00	1.00	266030.00	257196.00	1.00	1.00	181048.00
C6 H10 N4 S	1.00	1.00	1.00	1.00	190409.00	170395.00	111318.00	218439.00	1.00	1.00	1.00	1.00	1.00	1.00	245898.00	1.00	181425.00	1.00	207216.00	1.00	122698.00	317421.00	65480.00	1.00	1.00	277341.00	1.00	193899.00	1.00	1.00
C12 H6 N6 O	1.00	1.00	1.00	1.00	59636.00	59971.00	45196.00	64502.00	1.00	1.00	1.00	1.00	1.00	1.00	74651.00	1.00	60739.00	42149.00	72044.00	1.00	53832.00	100601.00	40050.00	1.00	1.00	75877.00	1.00	69347.00	1.00	1.00
C9 H9 N7 O2	89809.00	1.00	1.00	9705.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	81142.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	95875.00	37651.00	21591.00	1.00	1.00	1.00	42909.00
C16 H3 N O4 Esi-3.702	1.00	65435.00	1.00	70031.00	84126.00	83964.00	1.00	1.00	1.00	1.00	1.00	93164.00	151569.00	1.00	1.00	1.00	1.00	1.00	1.00	78991.00	92173.00	1.00	42773.00	36741.00	1.00	87233.00	1.00	1.00	85539.00	82543.00
C9 H13 N7 O2 S Esi-1.8029996	1.00	14831.00	1.00	1.00	57162.00	44282.00	23945.00	46154.00	1.00	1.00	1.00	1.00	1.00	21547.00	36858.00	1.00	24562.00	1.00	48875.00	1.00	20761.00	74950.00	1.00	1.00	1.00	31065.00	1.00	25856.00	1.00	1.00
C9 H4 N O10 S Esi-5.926	1.00	1.00	1.00	1.00	73836.00	1.00	1.00	1.00	1.00	1.00	39611.00	45810.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	86288.00	39148.00	32622.00	1.00	1.00	1.00	1.00
C28 H9 N9 O21 Esi-5.496	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	17011.00	1.00	1.00	1.00	20077.00	1.00	1.00	1.00	27746.00	1.00	1.00	1.00	1.00
C14 H17 N O8	64464.00	1.00	1.00	1.00	1.00	25580.00	1.00	1.00	1.00	11219.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	32762.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	53565.00	1.00	1.00	1.00	1.00
C5 H O4 S Esi-4.165777	142109.00	198981.00	1.00	238801.00	1.00	1.00	1.00	358138.00	112816.00	1.00	49149.00	208703.00	94866.00	1.00	1.00	1.00	1.00	129565.00	274253.00	83427.00	306163.00	1.00	309147.00	122208.00	1.00	119268.00	50587.00	82827.00	40908.00	1.00
C11 H14 O	109640.00	341132.00	1.00	92837.00	256434.00	347219.00	104689.00	288706.00	1.00	526271.00	195569.00	190545.00	234492.00	172757.00	201556.00	186470.00	762524.00	1.00	358030.00	222849.00	234651.00	527577.00	214427.00	94933.00	183966.00	228835.00	248173.00	203171.00	360927.00	132489.00
C4 H N3 O5 S	1.00	1.00	1.00	1.00	1.00	1.00	19723.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	23207.00	1.00	1.00	1.00	1.00	20187.00	1.00	1.00	1.00	18317.00	1.00	47270.00	1.00	1.00
C15 H2 O2 S	351853.00	421973.00	1.00	316118.00	432893.00	280418.00	269586.00	1.00	1.00	323626.00	413549.00	383653.00	550948.00	1.00	1.00	1.00	285269.00	1.00	457310.00	1.00	1.00	1.00	1.00	1.00	1.00	299499.00	461952.00	1.00	301462.00	1.00
C30 H24 N4 O30 S2 Esi-3.6937997	1.00	745769.00	1.00	220652.00	1.00	60958.00	1.00	1.00	1.00	1.00	78087.00	1.00	1.00	48037.00	56872.00	1.00	49229.00	1.00	83422.00	1.00	1.00	64870.00	54799.00	119816.00	14296.00	28711.00	51013.00	1.00	299503.00	1.00
C8 H11 N O3 S	24273.00	31825.00	1.00	1.00	21777.00	32800.00	19883.00	22612.00	1.00	1.00	46228.00	1.00	15505.00	22376.00	21466.00	58870.00	1.00	1.00	1.00	37460.00	63324.00	45043.00	1.00	1.00	1.00	41979.00	20227.00	68156.00	11878.00	11390.00
C6 H10 O9	107862.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	39084.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	34465.00	21783.00	1.00	1.00	1.00	23703.00
C11 H16 O	10250.00	30390.00	1.00	1.00	23270.00	29205.00	9807.00	25249.00	1.00	47624.00	16151.00	19073.00	21452.00	15017.00	18275.00	14850.00	66668.00	1.00	30875.00	20050.00	21902.00	47410.00	18921.00	1.00	17340.00	19901.00	21214.00	18205.00	31976.00	12942.00
C7 H10 N2 O4 S	1.00	1.00	1.00	30790.00	80745.00	1.00	53608.00	168707.00	1.00	188885.00	79988.00	1.00	1.00	1.00	1.00	54420.00	163055.00	1.00	1.00	1.00	1.00	1.00	24734.00	1.00	1.00	22657.00	15947.00	114392.00	111401.00	1.00
C6 H4 O4	57518.00	1.00	1.00	1.00	1.00	24773.00	1.00	1.00	1.00	15476.00	1.00	1.00	1.00	39279.00	1.00	1.00	1.00	35677.00	1.00	1.00	1.00	1.00	1.00	74548.00	74307.00	54373.00	1.00	1.00	1.00	24999.00
C7 H8 N2 O S	1.00	1.00	1.00	1.00	16053.00	1.00	1.00	14868.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	17468.00	1.00	29554.00	1.00	1.00	61574.00	1.00	1.00	1.00	18187.00	1.00	1.00	1.00	1.00
C7 H13 N O2 S	1.00	1.00	1.00	1.00	15690.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15279.00	1.00	1.00	1.00	13277.00	1.00	1.00	53052.00	1.00	1.00	1.00	11109.00	1.00	1.00	1.00	1.00
C5 H14 N5 O5 S	58747.00	48957.00	1.00	49444.00	55758.00	54483.00	30156.00	1.00	1.00	1.00	1.00	1.00	1.00	66201.00	1.00	1.00	1.00	1.00	35637.00	1.00	1.00	57820.00	1.00	1.00	1.00	39376.00	1.00	32674.00	1.00	1.00
C11 H8 N4 O12 S	1.00	1.00	1.00	1.00	19307.00	20891.00	13479.00	27255.00	1.00	1.00	1.00	1.00	1.00	1.00	46253.00	1.00	33848.00	1.00	28864.00	1.00	1.00	27852.00	1.00	1.00	1.00	11430.00	1.00	26799.00	1.00	1.00
C23 H7	1.00	1.00	1.00	1.00	54667.00	54575.00	42689.00	67816.00	1.00	1.00	1.00	1.00	1.00	1.00	67369.00	1.00	50195.00	1.00	57754.00	1.00	42762.00	76196.00	26829.00	1.00	1.00	65728.00	1.00	52246.00	1.00	1.00
C31 H20 N8 O26 S2 Esi-5.757	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	20237.00	1.00	9230.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	83324.00	1.00	1.00	1.00	1.00
C5 H5 N3 O Esi-1.255 :1	1.00	1.00	1.00	1.00	527765.00	475710.00	312828.00	627129.00	1.00	1.00	1.00	1.00	1.00	1.00	721109.00	1.00	514921.00	1.00	618925.00	1.00	349523.00	959549.00	178150.00	1.00	1.00	804464.00	1.00	549585.00	1.00	1.00
C14 H26 O4	1.00	13954.00	1.00	1.00	15437.00	15670.00	9059.00	1.00	1.00	11882.00	1.00	1.00	39253.00	1.00	1.00	1.00	1.00	12303.00	16329.00	1.00	1.00	1.00	1.00	1.00	1.00	10172.00	1.00	19910.00	1.00	42608.00
C9 H8 N6 S	1.00	1.00	1.00	1.00	16456.00	1.00	1.00	16094.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14635.00	1.00	28443.00	1.00	1.00	40060.00	1.00	1.00	1.00	15301.00	1.00	11531.00	1.00	1.00
C7 H14 N3 O5	62406.00	28455.00	1.00	19333.00	33063.00	34490.00	16907.00	1.00	1.00	1.00	1.00	1.00	14729.00	45269.00	12686.00	1.00	1.00	1.00	19659.00	1.00	1.00	38056.00	1.00	1.00	1.00	21748.00	1.00	20486.00	1.00	1.00
C3 H2 O2	1.00	1.00	1.00	116706.00	80859.00	1.00	55948.00	19516.00	1.00	22792.00	1.00	60452.00	60550.00	57906.00	17788.00	68314.00	1.00	11479.00	74197.00	24577.00	20221.00	57227.00	30285.00	90973.00	79638.00	24957.00	1.00	25718.00	22044.00	69662.00
C23 H22 N10	1.00	16044.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	8406.00	1.00	1.00	9873.00	1.00	33218.00	1.00	21755.00	1.00	9156.00	1.00	1.00	1.00	12010.00
2-Napthyloxyacetic acid	59041.00	231787.00	1.00	42731.00	81695.00	74909.00	53310.00	1.00	1.00	42535.00	177422.00	189608.00	31346.00	1.00	1.00	1.00	1.00	1.00	1.00	101077.00	23693.00	1.00	1.00	1.00	1.00	101807.00	89632.00	1.00	96444.00	61734.00
C12 H14 O3	1.00	28897.00	1.00	39125.00	34601.00	28624.00	11172.00	21232.00	1.00	24488.00	23049.00	24323.00	25320.00	29951.00	21990.00	28616.00	41293.00	1.00	29151.00	28060.00	34422.00	32787.00	28078.00	25014.00	25210.00	26160.00	31267.00	26351.00	30970.00	26535.00
C5 H4 N4 O4 Esi-1.5989996	204797.00	81822.00	1.00	83881.00	101913.00	96916.00	114206.00	120612.00	1.00	142490.00	1.00	105582.00	1.00	71498.00	82509.00	1.00	79018.00	1.00	1.00	189863.00	88964.00	1.00	54418.00	81740.00	86117.00	54515.00	1.00	1.00	117249.00	1.00
C25 H38 N6	25561.00	15674.00	1.00	45073.00	32865.00	38917.00	11739.00	27525.00	45832.00	25110.00	52595.00	31588.00	13274.00	10180.00	1.00	1.00	22649.00	16425.00	53658.00	32798.00	41088.00	30743.00	1.00	49581.00	14622.00	12848.00	19895.00	19482.00	39647.00	47706.00
C18 H2 N O14 S2	1.00	12498.00	1.00	36841.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	8914.00	30907.00	1.00	1.00	9428.00	1.00	16982.00	1.00	1.00	1.00	1.00
C7 H11 N4 O6	1.00	1.00	1.00	1.00	27977.00	27272.00	19163.00	24479.00	1.00	1.00	1.00	1.00	1.00	1.00	18258.00	1.00	23907.00	1.00	37321.00	1.00	22025.00	34657.00	1.00	1.00	1.00	18544.00	1.00	17616.00	1.00	1.00
C9 H9 N6 O4	1.00	1.00	1.00	1.00	1.00	15975.00	1.00	13043.00	1.00	1.00	1.00	1.00	1.00	1.00	14537.00	1.00	20263.00	1.00	1.00	1.00	1.00	36689.00	16581.00	1.00	1.00	16408.00	1.00	28414.00	1.00	1.00
C10 H2 N4 O11 S Esi-5.606001	235763.00	222423.00	1.00	236621.00	232028.00	222051.00	1.00	1.00	210510.00	222080.00	1.00	1.00	223600.00	243767.00	1.00	223080.00	234902.00	1.00	256230.00	1.00	1.00	1.00	243274.00	235669.00	232588.00	266199.00	255604.00	263546.00	221235.00	1.00
C7 H12 N3 O7 Esi-1.3549998	1.00	1.00	1.00	1.00	59911.00	58712.00	43107.00	62537.00	1.00	1.00	1.00	1.00	1.00	1.00	73492.00	1.00	60987.00	42149.00	70822.00	1.00	52039.00	93873.00	39644.00	1.00	1.00	78490.00	1.00	67581.00	1.00	1.00
C5 H8 N6 O5	1.00	1.00	1.00	1.00	157279.00	151464.00	114787.00	170559.00	1.00	1.00	1.00	1.00	1.00	1.00	178974.00	1.00	153840.00	1.00	166224.00	1.00	125995.00	211302.00	82341.00	1.00	1.00	203131.00	1.00	160228.00	1.00	1.00
C33 H73 N25 O4	1.00	13465.00	1.00	1.00	1.00	1.00	13686.00	11488.00	15412.00	10944.00	1.00	1.00	1.00	1.00	13309.00	1.00	17404.00	1.00	1.00	11937.00	1.00	1.00	12087.00	16824.00	15264.00	10836.00	1.00	1.00	1.00	31604.00
C23 H7 Esi-1.2439998	1.00	1.00	1.00	1.00	54667.00	54575.00	42689.00	67816.00	1.00	1.00	1.00	1.00	1.00	1.00	67369.00	1.00	50195.00	1.00	57754.00	1.00	42762.00	76196.00	26829.00	1.00	1.00	65728.00	1.00	52246.00	1.00	1.00
Gly Asn His	1.00	15436.00	1.00	16552.00	15799.00	21190.00	16349.00	1.00	1.00	1.00	31458.00	28248.00	19637.00	1.00	1.00	1.00	1.00	1.00	1.00	13663.00	21394.00	1.00	15890.00	1.00	1.00	17554.00	1.00	1.00	24763.00	25421.00
C21 H8 N9 O2 Esi-0.90999997	18369.00	1.00	1.00	1.00	1.00	1.00	35119.00	13722.00	12510.00	37062.00	36476.00	32312.00	12993.00	1.00	34053.00	16021.00	30570.00	1.00	39852.00	29133.00	36592.00	38499.00	1.00	1.00	38296.00	34116.00	1.00	32641.00	1.00	33906.00
C26 H54 N6 O4	1.00	1.00	1.00	1.00	1.00	1.00	32868.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11203.00	1.00	1.00	16736.00	1.00	1.00	1.00	1.00	1.00	1.00	15170.00	12469.00	15405.00	1.00	1.00	13865.00
C9 H14 O8	219065.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	647028.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	258135.00	262014.00	171870.00	1.00	1.00	1.00	81206.00
C3 H4 N4 O2	1.00	1.00	1.00	1.00	19652.00	16934.00	31176.00	21483.00	1.00	1.00	1.00	1.00	1.00	1.00	23584.00	1.00	21250.00	1.00	26500.00	1.00	34886.00	27236.00	1.00	1.00	1.00	41309.00	1.00	24695.00	1.00	1.00
C15 H5 N2 O3	73720.00	1.00	1.00	1.00	1.00	42644.00	1.00	1.00	1.00	1.00	1.00	16379.00	1.00	1.00	1.00	1.00	1.00	128574.00	31613.00	1.00	1.00	1.00	1.00	1.00	1.00	26422.00	1.00	1.00	1.00	1.00
C7 H4 N6 O	31145.00	22314.00	1.00	1.00	1.00	1.00	21105.00	25402.00	18630.00	1.00	18538.00	1.00	1.00	1.00	19749.00	24587.00	29336.00	16934.00	1.00	35058.00	1.00	1.00	1.00	19519.00	18117.00	22568.00	1.00	25479.00	1.00	21676.00
C28 H9 N9 O21 Esi-3.9509997	119305.00	1.00	1.00	1.00	1.00	1.00	421871.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	63596.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11339.00	1.00	1.00	1.00	41064.00
C21 H8 N9 O2 Esi-2.736	1.00	106480.00	1.00	99469.00	98832.00	1.00	1.00	94942.00	1.00	1.00	1.00	83843.00	1.00	115614.00	1.00	1.00	1.00	110021.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	35629.00	99344.00	1.00	1.00	1.00
C5 H8 N4 O2	1.00	1.00	1.00	1.00	19694.00	21408.00	13384.00	21682.00	1.00	1.00	1.00	1.00	1.00	1.00	16055.00	1.00	16839.00	1.00	29428.00	1.00	14294.00	25975.00	1.00	1.00	1.00	16878.00	1.00	15336.00	1.00	1.00
C9 H4 N2 O7 S2	1.00	1.00	1.00	28966.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	17977.00	1.00	1.00	1.00	1.00	10130.00	1.00	1.00	1.00	1.00
C7 H6 N S Esi-2.6780005	1.00	16855.00	1.00	23046.00	7740.00	1.00	18222.00	16003.00	1.00	47342.00	27857.00	8598.00	23975.00	30197.00	1.00	25457.00	1.00	1.00	17927.00	19701.00	87825.00	10563.00	8657.00	20613.00	1.00	11813.00	1.00	28101.00	1.00	1.00
C17 H34 N5 O5	1.00	28819.00	1.00	31021.00	1.00	1.00	1.00	1.00	1.00	1.00	10293.00	1.00	1.00	1.00	1.00	1.00	1.00	20352.00	1.00	1.00	1.00	1.00	1.00	17601.00	1.00	23272.00	10712.00	1.00	1.00	1.00
C3 H6 N3 S Esi-5.7929997	32243.00	1.00	1.00	22613.00	1.00	1.00	24076.00	1.00	41919.00	1.00	1.00	1.00	11250.00	1.00	1.00	1.00	1.00	1.00	33896.00	1.00	15996.00	25564.00	1.00	38536.00	1.00	33626.00	10098.00	29513.00	1.00	23822.00
C12 H26 O4 S	25865.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9519.00	1.00	1.00	11409.00	13784.00	11426.00	1.00	1.00	11213.00	17426.00	14295.00	22803.00	1.00	1.00	1.00	1.00	10693.00	1.00	11129.00	16070.00	11737.00
C36 H77 N17 O7	1.00	16805.00	1.00	1.00	1.00	1.00	13966.00	15898.00	13092.00	12186.00	1.00	1.00	1.00	1.00	1.00	1.00	15168.00	12729.00	1.00	13317.00	1.00	1.00	15034.00	14174.00	12241.00	12519.00	1.00	1.00	1.00	23491.00
C41 H81 N4 O4	10334.00	17209.00	1.00	9655.00	1.00	9302.00	11430.00	13568.00	11997.00	24799.00	1.00	12469.00	15268.00	1.00	1.00	1.00	9458.00	14656.00	9739.00	12878.00	1.00	1.00	1.00	1.00	9536.00	9323.00	1.00	16509.00	12177.00	1.00
C9 H10 O3	25836.00	1.00	1.00	1.00	1.00	15053.00	1.00	17029.00	1.00	1.00	1.00	1.00	1.00	13264.00	1.00	1.00	1.00	1.00	27032.00	1.00	1.00	1.00	1.00	1.00	1.00	15153.00	1.00	19351.00	1.00	1.00
C6 H3 N S3 Esi-0.86699986	1.00	52451.00	1.00	64322.00	58376.00	42513.00	1.00	55075.00	1.00	54531.00	1.00	36162.00	1.00	60998.00	1.00	81125.00	1.00	1.00	1.00	60816.00	58182.00	54110.00	1.00	1.00	58039.00	51315.00	93462.00	1.00	1.00	30629.00
C5 H5 Cl N O2	1.00	21157.00	1.00	1.00	1.00	17436.00	1.00	1.00	1.00	1.00	1.00	36581.00	1.00	1.00	1.00	1.00	33175.00	1.00	50693.00	38921.00	1.00	31831.00	1.00	25983.00	1.00	22321.00	1.00	23452.00	1.00	1.00
C12 H16 O4	1.00	17763.00	1.00	9493.00	10763.00	18822.00	1.00	1.00	1.00	1.00	10243.00	1.00	1.00	1.00	1.00	10899.00	20399.00	1.00	10447.00	1.00	1.00	24062.00	1.00	1.00	11263.00	14347.00	1.00	1.00	1.00	1.00
C3 H8 N2 O3 S2	1.00	1.00	1.00	54035.00	1.00	67924.00	1.00	1.00	57892.00	62856.00	63081.00	1.00	66984.00	1.00	64770.00	85774.00	70511.00	1.00	1.00	1.00	1.00	63424.00	1.00	27605.00	52196.00	60758.00	1.00	52965.00	1.00	1.00
C6 H6 N2	1.00	22282.00	1.00	1.00	18314.00	18984.00	10471.00	1.00	1.00	1.00	1.00	1.00	18216.00	24979.00	10423.00	1.00	1.00	1.00	17954.00	1.00	1.00	17054.00	1.00	1.00	1.00	12260.00	1.00	11081.00	12125.00	1.00
C4 H6 N3 O4 Esi-4.4639997	518297.00	353731.00	1.00	1.00	167135.00	128627.00	588969.00	397778.00	1062749.00	1.00	1.00	785778.00	1.00	1.00	1.00	1.00	744972.00	1.00	895805.00	1.00	408862.00	1.00	75535.00	206387.00	308264.00	130151.00	202795.00	691087.00	705011.00	1.00
C14 H4 O16 S	1.00	1.00	1.00	1.00	15245.00	16059.00	1.00	18073.00	1.00	1.00	1.00	1.00	1.00	1.00	14146.00	1.00	13991.00	1.00	18371.00	1.00	1.00	23206.00	1.00	1.00	1.00	18768.00	1.00	16243.00	1.00	1.00
C8 H9 N4 O2 S	1.00	1.00	1.00	1.00	64222.00	50482.00	35409.00	60675.00	1.00	1.00	1.00	1.00	1.00	1.00	73321.00	1.00	56697.00	1.00	65737.00	1.00	37654.00	99541.00	1.00	1.00	1.00	81913.00	1.00	61848.00	1.00	1.00
C4 H3 Cl N O2	22078.00	1.00	1.00	1.00	1.00	19353.00	1.00	21119.00	1.00	34212.00	1.00	1.00	1.00	1.00	1.00	24149.00	1.00	1.00	28211.00	26595.00	1.00	1.00	1.00	29205.00	1.00	22289.00	1.00	34277.00	20519.00	1.00
C6 H4 N2 O2 S2	1.00	1.00	1.00	1.00	1.00	227576.00	213554.00	1.00	1.00	1.00	1.00	1.00	1.00	165496.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	261724.00	1.00	1.00	1.00	179540.00
C8 H12 Cl2 N2	1.00	1.00	1.00	1.00	173996.00	212351.00	162126.00	246949.00	1.00	1.00	1.00	1.00	1.00	1.00	158706.00	1.00	227790.00	1.00	192381.00	1.00	139476.00	241554.00	56449.00	1.00	1.00	94511.00	1.00	105251.00	1.00	1.00
C9 H6 N O8 S5	15104.00	18467.00	1.00	22064.00	1.00	12236.00	1.00	1.00	1.00	1.00	16156.00	17198.00	1.00	14539.00	1.00	1.00	1.00	1.00	1.00	17325.00	21033.00	14826.00	1.00	15858.00	1.00	18040.00	9416.00	1.00	11352.00	1.00
C40 H49 N2	1.00	1.00	1.00	1.00	11764.00	1.00	1.00	12955.00	16053.00	1.00	14942.00	1.00	16399.00	21563.00	15226.00	1.00	1.00	17099.00	1.00	1.00	14186.00	20338.00	16868.00	15279.00	19686.00	13422.00	23650.00	1.00	16424.00	22562.00
C23 H7 Esi-1.243	1.00	1.00	1.00	1.00	55016.00	54575.00	42689.00	67816.00	1.00	1.00	1.00	1.00	1.00	1.00	67369.00	1.00	50195.00	1.00	57754.00	1.00	43790.00	76196.00	27309.00	1.00	1.00	65728.00	1.00	53172.00	1.00	1.00
C3 H6 N O5 S2	1.00	1.00	1.00	1.00	17741.00	16150.00	1.00	16840.00	1.00	1.00	1.00	1.00	1.00	1.00	15883.00	1.00	19306.00	1.00	15849.00	1.00	9143.00	22551.00	1.00	1.00	1.00	18835.00	1.00	16503.00	1.00	1.00
C3 H6 O Esi-1.875	14361.00	32839.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	49366.00	1.00	1.00	1.00	1.00	1.00	17681.00	1.00	1.00	1.00	1.00	1.00	16859.00	1.00	15001.00	1.00	1.00
C10 H10 N6 O	1.00	10566.00	1.00	1.00	1.00	10397.00	1.00	56053.00	1.00	16147.00	1.00	1.00	1.00	1.00	1.00	1.00	20209.00	1.00	10099.00	1.00	1.00	13312.00	1.00	1.00	1.00	22176.00	1.00	1.00	9012.00	1.00
C53 H76 N10 O4	11794.00	11609.00	1.00	10169.00	11821.00	1.00	14749.00	13579.00	11898.00	13816.00	12512.00	12228.00	9529.00	11072.00	16928.00	19817.00	16629.00	13709.00	20514.00	12230.00	16507.00	11732.00	18275.00	16857.00	11424.00	16654.00	16160.00	13748.00	17544.00	17244.00
C8 H24 N9 O2 S	13079.00	1.00	1.00	13841.00	21955.00	12986.00	1.00	1.00	16553.00	14945.00	21473.00	13482.00	19922.00	17059.00	17180.00	17587.00	16244.00	15596.00	14225.00	1.00	1.00	1.00	18662.00	13768.00	14095.00	13339.00	1.00	1.00	15270.00	13288.00
C11 O2	1.00	1.00	1.00	1.00	1.00	1.00	19659.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	51740.00	1.00	36939.00	1.00	9908.00	1.00	1.00	29377.00	23023.00	1.00	1.00	44156.00	1.00	29175.00	1.00	1.00
C8 H8 N7 O3	206592.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	239803.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	197460.00	141065.00	98222.00	1.00	1.00	1.00	77608.00
C39 H68 N S	1.00	11155.00	1.00	1.00	1.00	1.00	14047.00	1.00	12366.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13797.00	1.00	1.00	1.00	9746.00	1.00	1.00	1.00	9899.00	1.00	1.00	1.00	1.00
C38 H70 N11 O	10264.00	9206.00	1.00	1.00	9873.00	9382.00	1.00	9409.00	9506.00	1.00	1.00	1.00	1.00	1.00	1.00	9113.00	11179.00	1.00	12841.00	1.00	1.00	1.00	1.00	1.00	10568.00	9511.00	11762.00	13695.00	12959.00	9794.00
C9 H22 N2 O12	1.00	1.00	1.00	1.00	1.00	1.00	14551.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10159.00	1.00	1.00	1.00	1.00	1.00	15046.00	1.00	1.00	1.00	1.00	15683.00	1.00	1.00	1.00	1.00
C5 H8 N6 O5 Esi-1.3032942	1.00	547023.00	1.00	129617.00	157266.00	151460.00	114785.00	169944.00	961181.00	1.00	1.00	1.00	1.00	1.00	178976.00	1.00	153840.00	1.00	166470.00	1111504.00	125995.00	204739.00	82342.00	1.00	1.00	204986.00	424805.00	161506.00	1.00	1.00
C20 H35 Cl2 O3 S2	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	8955.00	1.00	1.00	13566.00	10666.00	9996.00	1.00	1.00	1.00	1.00	1.00	8972.00	1.00	12614.00	12580.00	11307.00	11266.00	1.00	1.00	1.00
C9 H O14	12323.00	14580.00	1.00	18816.00	1.00	13273.00	1.00	1.00	1.00	1.00	15244.00	15414.00	1.00	15245.00	1.00	1.00	1.00	1.00	1.00	16873.00	18757.00	16386.00	1.00	16465.00	1.00	18612.00	9720.00	1.00	12936.00	1.00
C20 H44 N2 O6	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11464.00	10895.00	1.00	1.00	13187.00
C42 H55 N2 O	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11872.00	14564.00	1.00	1.00	1.00	20247.00	1.00	1.00	1.00	1.00	14947.00	1.00	17489.00	15252.00	16333.00	1.00	1.00	13714.00
C30 H24 N4 O30 S2 Esi-6.8709087	1.00	1.00	1.00	13925.00	44710.00	303938.00	1.00	1.00	26405.00	53057.00	1.00	1.00	1.00	1.00	25415.00	1.00	1.00	63261.00	1.00	55853.00	43145.00	1.00	1.00	21943.00	1.00	25417.00	1.00	1.00	1.00	1.00
C23 H30 Cl3 N2 O	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9864.00	1.00	10215.00	1.00	9411.00	13853.00	8718.00	10624.00	1.00	1.00	1.00	11167.00	9687.00	10155.00	9833.00	11730.00	13648.00	12021.00	11510.00	1.00	9652.00	10672.00
C11 H8 N6 O2	62472.00	27545.00	1.00	19380.00	31656.00	33570.00	17076.00	1.00	1.00	1.00	1.00	1.00	14630.00	43822.00	12810.00	1.00	1.00	1.00	19375.00	1.00	1.00	36930.00	1.00	1.00	1.00	21748.00	1.00	22650.00	46745.00	1.00
C13 H10 O2	1.00	1.00	1.00	1.00	12419.00	1.00	1.00	1.00	1.00	1.00	18159.00	12297.00	13283.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10469.00	15902.00	10308.00	11637.00	1.00	1.00	1.00	1.00
C10 H19 O7 S	1.00	14831.00	1.00	1.00	56755.00	44282.00	23945.00	46154.00	1.00	1.00	1.00	1.00	1.00	21547.00	36858.00	1.00	22253.00	1.00	48875.00	1.00	20761.00	74950.00	1.00	1.00	1.00	31065.00	1.00	25856.00	1.00	1.00
C14 H6 N2 O16 S2 Esi-5.928001 :1	1.00	1.00	1.00	1.00	1.00	1.00	46508.00	1.00	1.00	28271.00	28267.00	1.00	1.00	101114.00	73818.00	53926.00	33335.00	1.00	1.00	56325.00	95869.00	33624.00	1.00	42397.00	54050.00	39130.00	42290.00	1.00	1.00	1.00
6-Hydroxynicotinic acid	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12680.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16858.00	1.00	12306.00	17911.00	1.00	17718.00	14620.00	1.00
C5 H5 Cl N O2 Esi-1.67	1.00	11028.00	1.00	1.00	1.00	13413.00	1.00	1.00	1.00	1.00	1.00	32768.00	1.00	1.00	1.00	1.00	36761.00	59642.00	62696.00	31990.00	1.00	1.00	1.00	31728.00	1.00	14385.00	1.00	1.00	1.00	1.00
C20 H6 N2 O11	622.00	1.00	1.00	1.00	6689.00	8435.00	6105.00	6392.00	1.00	3219.00	1.00	1.00	1.00	1.00	10523.00	1.00	9397.00	1.00	10989.00	1.00	1.00	15600.00	1.00	1.00	1.00	5136.00	1.00	8979.00	1.00	2003.00
C6 H3 N S3 Esi-1.0526522	1.00	13287.00	1.00	67109.00	14527.00	14131.00	16257.00	29062.00	15766.00	13396.00	13804.00	58578.00	14364.00	17598.00	1.00	13195.00	1.00	1.00	85145.00	17531.00	13062.00	32569.00	1.00	53721.00	31065.00	13758.00	13703.00	35148.00	15644.00	1.00
C29 H19 O2	1.00	1.00	1.00	1.00	1.00	9641.00	1.00	1.00	1.00	1.00	1.00	10281.00	9720.00	1.00	1.00	1.00	1.00	1.00	11198.00	9231.00	1.00	1.00	1.00	9153.00	1.00	9419.00	1.00	12698.00	1.00	9049.00
C18 H2 O12	1.00	1.00	1.00	1.00	6050.00	6639.00	3982.00	6380.00	1.00	1.00	1.00	1.00	1.00	1.00	9871.00	1.00	5698.00	1.00	10734.00	1.00	1.00	8362.00	1.00	1.00	1.00	3776.00	1.00	8336.00	1.00	1.00
C6 H3 N S3 Esi-0.8619998	1.00	52413.00	1.00	22884.00	58379.00	42513.00	1.00	100865.00	29565.00	27243.00	56731.00	36493.00	95028.00	60950.00	53680.00	51369.00	1.00	1.00	1.00	60816.00	18833.00	70563.00	1.00	1.00	58039.00	51320.00	93462.00	1.00	1.00	1.00
N-formylmaleamic acid	1.00	67264.00	1.00	75829.00	79926.00	104672.00	1.00	1.00	1.00	1.00	1.00	93043.00	83147.00	1.00	1.00	1.00	1.00	1.00	1.00	68618.00	1.00	1.00	1.00	1.00	1.00	97142.00	1.00	1.00	93408.00	104254.00
C10 H8 S Esi-4.443	1.00	1.00	1.00	1.00	104090.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	727309.00	1.00	884741.00	1.00	1.00	1.00	1.00	1.00	1.00	123154.00	1.00	1335020.00	1.00	1.00
C6 H9 N3 O4	1.00	1639513.00	1.00	381933.00	187462.00	1.00	1.00	1.00	2955117.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	4882975.00	1.00	1.00	1.00	1.00	1.00	1.00	1326741.00	1.00	1.00	1.00
C19 H6 N6	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	2276376.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C12 H22 O7 S	1.00	529024.00	1.00	31499.00	1.00	1.00	416700.00	253386.00	77435.00	1.00	1.00	1.00	304754.00	180504.00	1810015.00	1.00	2642970.00	1.00	1.00	36876.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	37063.00	1.00	1.00
C9 H6 N5 O S	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1656522.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C6 H9 N3 O4 Esi-1.366	1.00	615816.00	1.00	133092.00	116539.00	1.00	1.00	1.00	1227620.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	4882642.00	1.00	1.00	1.00	1.00	1.00	1.00	502219.00	1.00	1.00	1.00
C19 H6 O9	1.00	538688.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	344970.00	1.00	1.00	129747.00	1.00	1.00	1.00	1.00	1.00	1.00	414280.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C3 H4 N4 O	1.00	162522.00	1.00	158146.00	342456.00	44635.00	1.00	188708.00	1.00	1.00	182641.00	136002.00	361121.00	1.00	1.00	1.00	30341.00	1.00	159964.00	254906.00	189162.00	1.00	215355.00	1.00	121670.00	1.00	147023.00	623030.00	1.00	1.00
C12 H10 O3 Esi-3.8880002	1.00	1.00	1.00	118783.00	1.00	1.00	1.00	1.00	1.00	1.00	46049.00	189608.00	471539.00	1.00	1.00	1.00	1.00	1.00	1.00	257533.00	368752.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C30 H24 N4 O30 S2 Esi-0.941	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	64443.00	1.00	1.00	1.00	732516.00	209587.00	168030.00	92233.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C4 H2 S3 Esi-5.8629994	1.00	1.00	1.00	336688.00	1.00	1.00	1.00	1.00	1.00	1.00	378343.00	217994.00	391993.00	219594.00	1.00	1.00	333107.00	1.00	1.00	371096.00	1.00	336746.00	1.00	1.00	1.00	1.00	1.00	207679.00	1.00	1.00
C9 H9 N2 O3 S	1.00	103164.00	1.00	24551.00	1.00	1.00	1.00	1.00	652200.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	740246.00	1.00	1.00	1.00	1.00	1.00	1.00	80580.00	1.00	1.00	1.00
C4 H2 S3 Esi-5.081	1.00	1.00	1.00	129892.00	50609.00	1.00	1.00	1.00	27358.00	1.00	1.00	1.00	1.00	53033.00	1.00	1.00	128987.00	1.00	1.00	75599.00	1.00	1.00	56839.00	1.00	1.00	1.00	1.00	1.00	1.00	169984.00
C5 H O4 S Esi-4.0260005	1.00	200660.00	1.00	1.00	1.00	1.00	1.00	291183.00	23347.00	1.00	71543.00	82307.00	185688.00	1.00	1.00	1.00	1.00	370967.00	261527.00	97312.00	298993.00	1.00	1.00	238171.00	1.00	1.00	118425.00	96655.00	1.00	1.00
C9 H11 N O4	1.00	121322.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	114605.00	1.00	1.00	46988.00	1.00	1.00	1.00	1.00	1.00	1.00	145781.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C4 H4 N3 O4 Esi-5.6060004	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	35055.00	1.00	1.00	1.00	13295.00	1.00	1.00	1.00	1.00	1.00	1.00	26107.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C15 H10 N O6	1.00	111524.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	163013.00	1.00	1.00	118081.00	1.00	1.00	1.00	1.00	1.00	1.00	130392.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C12 H10 O S Esi-4.7540007	1.00	1.00	1.00	1.00	1.00	1.00	1.00	436896.00	437176.00	312691.00	1.00	1.00	1.00	448890.00	288786.00	151459.00	1.00	1.00	1.00	329381.00	1.00	249117.00	82828.00	383337.00	1.00	1.00	1.00	534060.00	1.00	1.00
C8 H4 N6 O2	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	49868.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C5 H4 S3 Esi-2.733	143725.00	1.00	1.00	126763.00	94022.00	1.00	120310.00	1.00	1.00	1.00	154970.00	1.00	119099.00	127663.00	1.00	1.00	106510.00	1.00	1.00	97700.00	1.00	1.00	1.00	73286.00	98362.00	1.00	1.00	115738.00	1.00	1.00
(23S,25S)-25-hydroxyvitamin D3 26,23-lactone / (23S,25S)-25-hydroxycholecalciferol 26,23-lactone	1.00	13357.00	1.00	1.00	17691.00	14400.00	1.00	1.00	1.00	1.00	1.00	1.00	50805.00	1.00	1.00	1.00	1.00	1.00	14406.00	104019.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	23007.00
C8 H11 N O2	1.00	65493.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	63427.00	1.00	1.00	30790.00	1.00	1.00	1.00	1.00	1.00	1.00	80783.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
Acesulfame-K	9839.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	24615.00	96799.00	11019.00	82100.00	21596.00	1.00	1.00	1.00	23694.00	1.00	1.00	1.00	43480.00	1.00
C12 H14 N2 O3 S	1.00	78334.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	69123.00	1.00	1.00	78158.00	1.00	1.00	1.00	1.00	1.00	1.00	61755.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C8 H5 O7 S Esi-5.069	1.00	1.00	1.00	1.00	1.00	1.00	1.00	147995.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	250912.00	1.00	1.00	1.00	105245.00	1.00	1.00	1.00	1.00	116563.00	1.00	1.00	1.00	1.00	1.00
C6 H11 N6 O S	1.00	86809.00	1.00	39214.00	1.00	1.00	1.00	1.00	92137.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	88151.00	1.00	1.00	1.00	1.00	1.00	1.00	87647.00	1.00	1.00	1.00
C9 H13 N3 O6 S	1.00	77712.00	1.00	1.00	1.00	1.00	1.00	1.00	37806.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	51745.00	1.00	1.00	1.00	1.00	1.00	1.00	17930.00	1.00	1.00	1.00
C24 H50 O10	1.00	1.00	1.00	1.00	11309.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	36751.00	1.00	1.00	1.00	1.00	1.00	1.00	68229.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13263.00
C9 H8 N7 S	45025.00	1.00	1.00	1.00	1.00	1.00	48579.00	18030.00	15582.00	1.00	10164.00	1.00	1.00	1.00	30683.00	33676.00	1.00	36734.00	1.00	71875.00	35857.00	13851.00	10723.00	1.00	14706.00	1.00	1.00	1.00	1.00	32989.00
C30 H24 N4 O30 S2 Esi-0.941 :1	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	64443.00	1.00	1.00	1.00	972012.00	298714.00	167620.00	92233.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C6 H6 N3 O3 S	45289.00	1.00	1.00	1.00	1.00	1.00	14858.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11926.00	80211.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13795.00
C15 H2 O17 Esi-5.928734	1.00	38508.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	101633.00	88670.00	1.00	36941.00	192876.00	37993.00	1.00	116749.00	105076.00	1.00	75055.00	152234.00	1.00	1.00	81038.00	118054.00	1.00	61129.00	74965.00	47868.00	1.00
C12 H11 N8 O4	1.00	38951.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	90839.00	1.00	1.00	48690.00	1.00	1.00	1.00	1.00	1.00	1.00	71259.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C15 H N O4 Esi-3.968	1.00	118042.00	1.00	1.00	133883.00	1.00	1.00	1.00	1.00	1.00	109122.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	220011.00	1.00	1.00	1.00	1.00	1.00	1.00	51129.00	1.00	1.00	1.00
C6 H7 N O2	1.00	27594.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	54543.00	1.00	1.00	36678.00	1.00	1.00	1.00	1.00	1.00	1.00	49021.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C16 H36 N16 O	1.00	1.00	1.00	29387.00	20265.00	17369.00	1.00	13542.00	39508.00	10258.00	46929.00	23786.00	1.00	1.00	1.00	1.00	1.00	1.00	34676.00	23438.00	30823.00	28932.00	1.00	48818.00	1.00	1.00	1.00	1.00	26307.00	34474.00
Caloxanthin	49136.00	1.00	1.00	1.00	19777.00	20201.00	1.00	16254.00	1.00	24141.00	12201.00	1.00	30039.00	18089.00	13289.00	37443.00	35679.00	1.00	1.00	15512.00	19825.00	1.00	1.00	1.00	1.00	1.00	27681.00	1.00	1.00	1.00
C9 H2 N2 O5 S Esi-1.061	28290.00	1.00	1.00	32627.00	59916.00	21848.00	24378.00	15219.00	1.00	28721.00	1.00	26974.00	22021.00	16838.00	1.00	15436.00	15191.00	1.00	29586.00	25243.00	1.00	35946.00	19125.00	1.00	1.00	1.00	1.00	22905.00	1.00	1.00
C5 H O5 S Esi-3.9910004	1.00	103738.00	1.00	31556.00	1.00	1.00	1.00	1.00	1.00	1.00	122143.00	56223.00	1.00	1.00	1.00	1.00	1.00	1.00	116296.00	72926.00	1.00	1.00	118703.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C8 H11 N O5	1.00	13938.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	39038.00	1.00	1.00	16614.00	1.00	1.00	1.00	1.00	1.00	1.00	32943.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C7 H6 O9	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	30356.00	1.00	1.00	1.00	16047.00	1.00	1.00	38543.00	18872.00	1.00	1.00	1.00	1.00	1.00	1.00	10442.00	1.00	15630.00	28247.00
C13 H14 N2 O4 S	1.00	16510.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	28339.00	1.00	1.00	15467.00	1.00	1.00	1.00	1.00	1.00	1.00	35960.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C13 H26 Cl N2 O7 S3	1.00	12169.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	8853.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	8786.00	1.00	1.00
C10 H14 O4	24381.00	15523.00	1.00	1.00	1.00	1.00	12384.00	1.00	14054.00	12683.00	19460.00	1.00	1.00	1.00	1.00	1.00	1.00	16577.00	1.00	37514.00	1.00	1.00	1.00	1.00	10552.00	1.00	1.00	1.00	1.00	22408.00
C10 H14 Cl O2	1.00	38828.00	1.00	1.00	57612.00	1.00	1.00	1.00	1.00	1.00	1.00	52550.00	148622.00	1.00	1.00	1.00	1.00	1.00	1.00	133602.00	119136.00	1.00	74758.00	58971.00	55380.00	1.00	1.00	1.00	1.00	1.00
C39 H69 N6 O6	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14472.00	1.00	1.00	11462.00	1.00	1.00	1.00	15674.00	1.00	10315.00	32792.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C8 H4 N3 O7	1.00	1.00	1.00	1.00	1.00	1.00	1.00	32026.00	1.00	1.00	1.00	1.00	39574.00	37811.00	1.00	33594.00	1.00	28071.00	1.00	29175.00	1.00	1.00	29381.00	1.00	1.00	1.00	1.00	1.00	27215.00	1.00
C6 H16 N O8	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13853.00	12684.00	30058.00	1.00	1.00	17070.00	14145.00	1.00	1.00	1.00	1.00	1.00	12964.00
C48 H62 N14	15912.00	1.00	1.00	1.00	1.00	1.00	16893.00	19232.00	28545.00	23288.00	1.00	1.00	1.00	1.00	1.00	15851.00	17321.00	1.00	1.00	25819.00	1.00	1.00	1.00	16224.00	16626.00	1.00	1.00	1.00	1.00	34480.00
C7 H8 N6 O	1.00	19893.00	1.00	1.00	1.00	16033.00	1.00	1.00	127447.00	1.00	1.00	1.00	27494.00	1.00	1.00	1.00	1.00	1.00	35921.00	17134.00	1.00	1.00	1.00	10539.00	12520.00	1.00	1.00	16545.00	1.00	1.00
C8 H5 O7 S Esi-5.066	1.00	1.00	1.00	109416.00	1.00	81612.00	1.00	130957.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	89973.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C6 H4 O7 S	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	85724.00	21971.00	1.00	1.00	1.00	1.00	39122.00	1.00	1.00	1.00	1.00	1.00	1.00	36786.00	1.00	1.00	1.00
C30 H24 N4 O30 S2 Esi-1.161	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	306638.00	1.00	1.00	1038390.00	1.00	1.00	161640.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C5 H2 O6 S	1.00	176995.00	1.00	152063.00	134666.00	1.00	1.00	47800.00	1.00	1.00	160062.00	141451.00	229427.00	1.00	1.00	1.00	1.00	1.00	184027.00	167179.00	240397.00	1.00	131159.00	1.00	233385.00	1.00	173939.00	1.00	1.00	1.00
C28 H9 N9 O21 Esi-6.416	1.00	19603.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	32119.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	19803.00	16883.00	1.00	1.00	30501.00	1.00	1.00	1.00	1.00	1.00	78489.00	19656.00
C11 H17 N2 O13	19435.00	1.00	1.00	1.00	1.00	1.00	1.00	13561.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	19525.00	1.00	19631.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	23321.00
C5 H4 O6 S	1.00	1.00	1.00	1.00	1.00	11683.00	1.00	1.00	1.00	1.00	1.00	10595.00	12807.00	1.00	1.00	1.00	1.00	1.00	21798.00	12236.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10991.00	1.00	1.00
C4 H8 O3 S Esi-1.505	18268.00	1.00	1.00	1.00	1.00	22090.00	1.00	1.00	22973.00	1.00	1.00	1.00	1.00	1.00	1.00	28287.00	27902.00	32668.00	1.00	17976.00	17558.00	35788.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C41 H81 O7	1.00	10534.00	1.00	1.00	1.00	1.00	1.00	11338.00	1.00	20167.00	1.00	1.00	12366.00	1.00	1.00	1.00	1.00	1.00	1.00	9892.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14004.00	1.00	1.00
C3 H10 N2 O5 S	15547.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15141.00	1.00	15627.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16568.00
C8 H22 N6 O6	12465.00	10876.00	1.00	13886.00	1.00	11962.00	13225.00	11692.00	16088.00	1.00	12514.00	14710.00	13174.00	1.00	1.00	13681.00	12923.00	13978.00	1.00	13308.00	13661.00	1.00	13829.00	1.00	14826.00	1.00	15853.00	12352.00	1.00	12021.00
C10 H14 O4 Esi-1.3150002	24381.00	15523.00	1.00	1.00	1.00	1.00	12384.00	1.00	14054.00	12683.00	19460.00	1.00	1.00	1.00	1.00	1.00	1.00	12765.00	1.00	37514.00	1.00	1.00	1.00	1.00	10552.00	1.00	1.00	1.00	1.00	15832.00
C11 H18 N10 O4	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10379.00	1.00	1.00	1.00	1.00	1.00	1.00	11281.00	16158.00	1.00	1.00	1.00	9673.00	1.00	1.00	1.00	12510.00	1.00	1.00
C11 H12 N7 O S	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11159.00	1.00	17236.00	1.00	1.00	1.00	1.00	1.00	1.00	11226.00	1.00
C25 H41 O7	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12241.00	1.00	1.00	9685.00	1.00	1.00	1.00	9243.00	11994.00	11632.00	1.00	9394.00	1.00	1.00	1.00	1.00	9291.00	1.00	1.00	1.00	1.00	1.00
C4 H6 N6 O4 Esi-5.309	1.00	1.00	1.00	1.00	1.00	1.00	1.00	85164.00	108452.00	70106.00	1.00	1.00	1.00	69265.00	1.00	50704.00	1.00	1.00	1.00	78916.00	1.00	1.00	1.00	1.00	91777.00	1.00	1.00	97654.00	1.00	1.00
C5 H11 N O5 S	24669.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15835.00	1.00	15687.00	1.00	1.00	1.00	1.00	1.00	12526.00	1.00	11979.00	13874.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C6 H12 N6 O S Esi-3.7050004	1.00	93513.00	1.00	95594.00	123613.00	92849.00	1.00	1.00	1.00	1.00	70414.00	108103.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	116177.00	1.00	1.00	63471.00	1.00	1.00	1.00	1.00	1.00	30258.00	95349.00
C15 H N O4 Esi-3.8880002	1.00	118042.00	1.00	113417.00	133883.00	1.00	1.00	57326.00	1.00	1.00	109122.00	129320.00	189613.00	1.00	1.00	1.00	1.00	1.00	1.00	220011.00	170650.00	1.00	116930.00	109195.00	85967.00	1.00	51129.00	1.00	1.00	1.00
C30 H24 N4 O30 S2 Esi-1.759	1.00	244674.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	166076.00	3365211.00	2088431.00	1.00	1.00	182072.00	1.00	343585.00	74659.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1037913.00	40752.00
C6 H6 O3 S	298923.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	112779.00	25256.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	25475.00	56624.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C31 H20 N8 O26 S2 Esi-4.234	1.00	1.00	1.00	1.00	1.00	1.00	1.00	333652.00	1.00	1.00	278010.00	1.00	1.00	1.00	1.00	20791.00	1.00	1.00	1.00	1.00	84842.00	1.00	1.00	51350.00	1.00	1.00	1.00	1.00	1.00	1.00
C10 H7 N4 O4	25838.00	1.00	1.00	1.00	1.00	1.00	1.00	14600.00	1.00	1.00	31377.00	35895.00	1.00	1.00	76495.00	1.00	1.00	1.00	1.00	1.00	1.00	14932.00	1.00	1.00	1.00	1.00	1.00	1.00	29467.00	1.00
C9 H10 O7 S	14398.00	1.00	1.00	1.00	1.00	1.00	1.00	10661.00	1.00	10268.00	10607.00	1.00	1.00	1.00	1.00	72820.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C23 H31 N14 S	1.00	1.00	1.00	27782.00	1.00	1.00	1.00	1.00	1.00	1.00	19565.00	1.00	1.00	70224.00	21917.00	1.00	1.00	1.00	16297.00	1.00	1.00	1.00	1.00	1.00	20111.00	1.00	34348.00	20083.00	1.00	1.00
C3 H3 Cl N3 S Esi-1.7409999	1.00	1.00	1.00	287437.00	256752.00	265497.00	267403.00	231409.00	251983.00	231810.00	291898.00	290570.00	265181.00	168661.00	262393.00	1.00	294090.00	1.00	273631.00	1.00	313323.00	265990.00	276247.00	233789.00	262080.00	1.00	311908.00	165264.00	290245.00	1.00
C4 H2 O3 S2 Esi-3.011	30424.00	94841.00	1.00	1.00	1.00	207058.00	1.00	1.00	1.00	42768.00	48476.00	51649.00	1.00	1.00	47403.00	167453.00	1.00	181763.00	1.00	1.00	1.00	1.00	1.00	1.00	297543.00	1.00	1.00	1.00	41740.00	44333.00
C12 H3 N3 O3	26221.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	27715.00	29827.00	1.00	1.00	64151.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	24438.00	1.00
C18 H22 N4	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	30128.00	1.00	20178.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	24074.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C4 H8 N3 S Esi-3.915	1.00	1.00	1.00	44121.00	1.00	1.00	1.00	1.00	1.00	1.00	115943.00	168257.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	180360.00	1.00
C10 H22 N13 O Esi-2.8379998	47278.00	1.00	1.00	43288.00	1.00	1.00	40529.00	1.00	1.00	44865.00	61374.00	1.00	25386.00	47524.00	38703.00	1.00	1.00	1.00	41047.00	1.00	45951.00	1.00	1.00	55420.00	42731.00	1.00	1.00	1.00	60590.00	1.00
C8 H18 O2 S2	1.00	1.00	1.00	51865.00	1.00	1.00	1.00	1.00	40257.00	32622.00	64539.00	1.00	34418.00	1.00	31437.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	30527.00	29241.00	1.00	1.00	1.00	40061.00	1.00	31751.00
C14 H8 N8 O6 S2	19791.00	1.00	1.00	1.00	1.00	1.00	1.00	34980.00	1.00	9045.00	16458.00	1.00	1.00	1.00	1.00	1.00	13682.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C5 H12 N2 O7 S	39347.00	1.00	1.00	42701.00	143146.00	38771.00	1.00	1.00	31345.00	37438.00	27477.00	26386.00	1.00	25445.00	31940.00	1.00	1.00	15839.00	44697.00	1.00	40511.00	1.00	32881.00	53998.00	1.00	1.00	32501.00	1.00	35771.00	25309.00
C6 H3 N S3 Esi-1.7889999	108471.00	1.00	1.00	1.00	1.00	1.00	1.00	110990.00	1.00	1.00	110367.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	111696.00	1.00	106997.00	82047.00	1.00	1.00	1.00	1.00	1.00
C5 H9 N4 O S2	165153.00	1.00	1.00	1.00	1.00	1.00	47564.00	257072.00	28969.00	16193.00	146906.00	1.00	1.00	36113.00	1.00	32822.00	29791.00	1.00	1.00	1.00	64928.00	1.00	26909.00	1.00	1.00	1.00	1.00	1.00	210060.00	1.00
C10 H17 N3 O8 Esi-3.5160003	1.00	1.00	1.00	1.00	1.00	14202.00	13125.00	1.00	1.00	1.00	24843.00	17791.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13771.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15712.00	19157.00
C6 H3 O6 S Esi-5.1160007	1.00	1.00	1.00	67590.00	1.00	1.00	1.00	1.00	1.00	1.00	69825.00	1.00	1.00	1.00	1.00	99107.00	64714.00	1.00	1.00	1.00	1.00	107301.00	1.00	1.00	89336.00	1.00	52964.00	72503.00	61163.00	1.00
C9 H6 N O6 S	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	34702.00	1.00	1.00	1.00	13539.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11066.00	1.00	1.00
C16 H16 N6 O12	1.00	1.00	1.00	1.00	1.00	9247.00	1.00	1.00	1.00	10686.00	20631.00	1.00	1.00	12031.00	1.00	13152.00	1.00	1.00	15104.00	1.00	1.00	23232.00	1.00	1.00	1.00	1.00	1.00	1.00	9769.00	1.00
C6 H N2 O6	69372.00	1.00	1.00	1.00	1.00	1.00	1.00	75460.00	43297.00	70399.00	66507.00	1.00	1.00	73323.00	1.00	77280.00	1.00	1.00	1.00	1.00	1.00	77089.00	1.00	1.00	1.00	1.00	1.00	78087.00	73931.00	1.00
C43 H52 N3 O2	1.00	26373.00	1.00	1.00	1.00	1.00	20666.00	1.00	14145.00	12312.00	12614.00	1.00	1.00	1.00	15846.00	11410.00	10733.00	13466.00	1.00	1.00	13502.00	20590.00	1.00	1.00	12202.00	1.00	11035.00	1.00	9145.00	1.00
C14 H14 O9	1.00	1.00	1.00	37567.00	1.00	1.00	1.00	1.00	1.00	1.00	54599.00	1.00	38031.00	43591.00	28367.00	1.00	1.00	1.00	1.00	1.00	49031.00	1.00	1.00	39626.00	1.00	1.00	1.00	1.00	47900.00	1.00
C30 H24 N4 O30 S2 Esi-8.88	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	23598.00	1.00	24759.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15999.00
C32 H20 N6 O29 S Esi-10.84	1.00	1.00	1.00	1.00	1.00	1.00	1.00	30370.00	1.00	1.00	17690.00	1.00	1.00	9385.00	13737.00	1.00	1.00	1.00	1.00	1.00	1.00	35841.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9522.00
C14 H3 N O6	14101.00	1.00	1.00	1.00	1.00	1.00	1.00	19680.00	1.00	9850.00	12127.00	1.00	1.00	1.00	1.00	1.00	14219.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C8 H11 N O4 S	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11079.00	1.00	1.00	1.00	1.00	21339.00	1.00	1.00	1.00	1.00	16123.00	1.00	1.00	1.00	1.00	1.00	1.00	13927.00	1.00	1.00
Spectinomycin	1.00	1.00	1.00	1.00	10046.00	11538.00	1.00	1.00	13600.00	1.00	10354.00	11540.00	17873.00	11046.00	19928.00	1.00	1.00	1.00	11363.00	1.00	1.00	1.00	1.00	9872.00	1.00	1.00	1.00	1.00	1.00	1.00
C7 H16 N O11	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15616.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11578.00
C6 H4 O9 S	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13438.00	1.00	13844.00	1.00	1.00	1.00	1.00	1.00	13589.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	18320.00	1.00	1.00
C15 H2 O17 Esi-5.928	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	134285.00	1.00	1.00	1.00	32516.00	1.00	1.00	64664.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C20 H34 N3 O3	1.00	1.00	1.00	1.00	1.00	1.00	15793.00	1.00	1.00	1.00	15185.00	1.00	1.00	1.00	1.00	1.00	1.00	24152.00	1.00	1.00	14131.00	1.00	1.00	1.00	15365.00	1.00	20444.00	1.00	17603.00	19314.00
C18 H28 N3 O3	1.00	1.00	1.00	1.00	13682.00	1.00	1.00	1.00	1.00	1.00	12279.00	1.00	17263.00	1.00	1.00	1.00	1.00	1.00	13500.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16064.00
C3 H3 N O2 Esi-3.676	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14577.00	33434.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C20 H22 N13 O2	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14782.00	1.00	17246.00	1.00	1.00	1.00	1.00	16809.00	19509.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	18773.00	1.00
C6 H3 O6 S Esi-5.1150002	1.00	1.00	1.00	67379.00	1.00	1.00	1.00	1.00	77188.00	1.00	69425.00	1.00	1.00	1.00	1.00	99107.00	1.00	1.00	1.00	1.00	1.00	107301.00	1.00	1.00	1.00	1.00	75894.00	1.00	61293.00	1.00
C30 H55 N5 O3 S	1.00	1.00	1.00	1.00	1.00	1.00	10574.00	1.00	1.00	1.00	17052.00	1.00	1.00	10718.00	10748.00	1.00	1.00	14991.00	1.00	1.00	1.00	11521.00	1.00	12220.00	9661.00	1.00	14487.00	1.00	1.00	1.00
C21 H18 N14 O2	11481.00	14437.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9850.00	13245.00	13746.00	1.00	1.00	1.00	9565.00	13324.00	1.00	1.00	14238.00	1.00	14233.00	12508.00	1.00	1.00	9658.00	12869.00	13115.00	1.00
C18 H18 N8 O2	11759.00	1.00	1.00	1.00	1.00	10421.00	1.00	1.00	9824.00	10286.00	10082.00	9377.00	10012.00	1.00	11327.00	10375.00	12621.00	9491.00	12511.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10010.00	10149.00	11774.00
C22 H49 N8 O S3	1.00	1.00	1.00	1.00	1.00	1.00	9470.00	1.00	1.00	1.00	16389.00	1.00	1.00	1.00	1.00	1.00	1.00	8896.00	1.00	1.00	1.00	9366.00	1.00	1.00	1.00	1.00	9360.00	1.00	1.00	1.00
C36 H55 O5	1.00	1.00	1.00	1.00	1.00	1.00	12336.00	1.00	1.00	1.00	12992.00	1.00	1.00	1.00	9992.00	1.00	1.00	9804.00	1.00	1.00	1.00	20403.00	1.00	11489.00	1.00	1.00	12957.00	1.00	1.00	1.00
C13 H14 N2 O3	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1929467.00
glycodeoxycholic acid	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10933.00	1.00	1.00	1.00	1.00	86995.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12873.00	1.00	1.00	1.00	1.00	1.00	302406.00	1.00	20415.00
C8 H5 O7 S Esi-4.474	1.00	1.00	1.00	1.00	1.00	1499903.00	1409090.00	1.00	1.00	1.00	1.00	1.00	1.00	1043354.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1185629.00
Glycocholic Acid	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	90577.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	153036.00	1.00	46034.00
C30 H24 N4 O30 S2 Esi-1.435	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	402055.00	1.00	293916.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	145627.00
C3 H2 N3 O2	1.00	1.00	1.00	1.00	1.00	167696.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	76503.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	413889.00	239922.00
C30 H24 N4 O30 S2 Esi-2.8500001	1.00	1.00	1.00	1.00	1.00	87891.00	1.00	1.00	428620.00	77094.00	1.00	1.00	1.00	1.00	227830.00	1.00	1.00	1.00	187041.00	1.00	1.00	1.00	1.00	1.00	77064.00	1.00	1.00	437143.00	60004.00	48827.00
C30 H24 N4 O30 S2 Esi-5.503	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	35771.00	25966.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9173.00
Taurochenodeoxycholic acid	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	186919.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	251598.00	1.00	17863.00
Adipic acid	38406.00	24115.00	1.00	1.00	26456.00	20870.00	22997.00	1.00	1.00	19935.00	1.00	1.00	1.00	36371.00	58267.00	1.00	1.00	1.00	20973.00	1.00	26752.00	24870.00	1.00	1.00	1.00	1.00	26608.00	1.00	16885.00	25584.00
C28 H9 N9 O21 Esi-2.799	1.00	1.00	1.00	1.00	107365.00	104631.00	26459.00	1.00	1.00	73484.00	1.00	1.00	1.00	1.00	44719.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	70110.00	26102.00	1.00	1.00	1.00	1.00	41155.00
C9 H12 N3 O9	15671.00	1.00	1.00	1.00	17531.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14458.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	41462.00
C16 H16 N2 O3	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	82823.00	1.00	1.00	1.00	1.00	41134.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	26232.00	1.00	1.00	24019.00
C28 H9 N9 O21 Esi-11.454	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	29844.00	1.00	1.00	27473.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11071.00	1.00	1.00	1.00	1.00	1.00	1.00	15598.00
C30 H24 N4 O30 S2 Esi-1.4240001	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	402055.00	1.00	293916.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	145627.00
C6 H O8 S Esi-1.1691427	47802.00	1.00	1.00	1.00	1.00	1.00	1.00	30952.00	23039.00	68656.00	1.00	1.00	53942.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	22389.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	52945.00
C28 H9 N9 O21 Esi-9.208	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11853.00
C16 H28 O4	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	21044.00	1.00	1.00	1.00	1.00	1.00	12458.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	23038.00
C6 H2 N2 O9	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	206430.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	221434.00
C22 H20 N8 O9	1.00	1.00	1.00	10246.00	16783.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14905.00	1.00	1.00	11448.00	1.00	1.00	17987.00	1.00	1.00	1.00	10522.00	1.00	11014.00
C13 H3 N O9	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14684.00	1.00	1.00	1.00	1.00	1.00	1.00	17312.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10524.00	20091.00
C28 H9 N9 O21 Esi-8.337	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	20822.00	1.00	1.00	1.00	1.00	1.00	1.00	55313.00	16884.00	1.00	1.00	1.00	23797.00	1.00	1.00	11473.00
C11 H14 N O7	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15196.00	1.00	14301.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	19893.00	1.00	1.00	1.00	1.00	18701.00	1.00	1.00	1.00	1.00	12945.00	1.00	19508.00
C8 H14 O4	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	25772.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	17359.00
C6 H9 N4 O3 S	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16083.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15786.00	1.00	1.00	19116.00
C10 H18 O4	1.00	17143.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16887.00
C36 H18 N6 O6	11334.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16322.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12684.00	1.00	1.00	1.00	1.00	1.00	12188.00
C28 H42 N2 O2	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9841.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9709.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10108.00
C29 H42 N15	1.00	1.00	1.00	1.00	1.00	11075.00	1.00	12537.00	11409.00	1.00	1.00	10635.00	1.00	1.00	1.00	10926.00	11154.00	1.00	11979.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12242.00	12635.00	12006.00
C23 H34 N20 O5	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11942.00	1.00	13404.00	1.00	11613.00	1.00	13395.00	1.00	13531.00	1.00	1.00	1.00	10119.00	1.00	1.00	15500.00
C28 H9 N9 O21 Esi-0.829	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	175142.00	71694.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C31 H19 N8 O27 S Esi-5.297	1.00	1.00	1.00	475977.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	251430.00	1.00	1.00	465280.00	241307.00	1.00	1.00	1390747.00	1.00	1.00	1.00	1.00	1.00
C32 H20 N6 O29 S Esi-8.453	1.00	1.00	1.00	23292.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	17133.00	1.00	1.00	1.00	1.00	1.00	1.00	119018.00	1.00	1.00	23592.00	1.00	1.00	1.00	1.00	1.00
C33 H14 N9 O28	1.00	1.00	1.00	1.00	1.00	1.00	1.00	30750.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16249.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C28 H9 N9 O21 Esi-4.6070004	1.00	1.00	1.00	1.00	1.00	1.00	1.00	22080.00	32564.00	40131.00	1.00	1.00	1.00	55752.00	1.00	1.00	1.00	74714.00	21084.00	1.00	32500.00	51863.00	1.00	1.00	15969.00	1.00	19331.00	1.00	24621.00	1.00
C4 H4 N3 O2	57823.00	11795.00	1.00	1.00	13469.00	13845.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	78624.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12694.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C18 H10 N2 O11	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14178.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C8 H16 N2 O7 S	1.00	1.00	1.00	1.00	24611.00	29143.00	18328.00	36156.00	1.00	1.00	1.00	1.00	1.00	1.00	25161.00	1.00	28107.00	1.00	26898.00	1.00	16370.00	38137.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C31 H20 N8 O26 S2 Esi-8.513	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	80603.00	1.00	1.00	13254.00	1.00	1.00	1.00	1.00	1.00
C6 H6 S2	33807.00	1.00	1.00	1.00	129052.00	1.00	36134.00	122134.00	122945.00	118608.00	1.00	125338.00	1.00	1.00	1.00	132550.00	1.00	1.00	1.00	1.00	1.00	70491.00	41047.00	125335.00	1.00	1.00	48477.00	1.00	1.00	1.00
C12 H19 N O8	1.00	1.00	1.00	1.00	12955.00	12510.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	22160.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14388.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C5 H O4 S Esi-5.107	74761.00	1.00	1.00	1.00	1.00	1.00	113908.00	1.00	1.00	1.00	1.00	113157.00	1.00	116936.00	1.00	158556.00	1.00	1.00	1.00	1.00	1.00	176210.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C13 H6 N2 O2	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15936.00	1.00	1.00	13187.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C6 H3 O6 S Esi-5.236	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	107301.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C24 H50 N9 O	1.00	12717.00	1.00	1.00	1.00	1.00	1.00	1.00	9797.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10502.00	1.00	1.00	1.00	10561.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C16 H9 N2 O9 S2	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9823.00	1.00	1.00	1.00	1.00	1.00	1.00	12097.00	1.00	10327.00	1.00	9878.00	1.00	1.00	10529.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C34 H65 Cl2 N4	1.00	1.00	1.00	1.00	1.00	1.00	11970.00	1.00	10111.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10842.00	1.00	1.00	1.00	10974.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C4 H2 S3 Esi-5.501	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	438492.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C3 H3 N3 O2 Esi-1.293	1.00	81118.00	1.00	1.00	1.00	1.00	1.00	1.00	270396.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C8 H4 N6 O2 Esi-2.0556667	68316.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	117017.00	1.00	1.00	1.00	1.00	1.00	1.00	85693.00	316500.00	73131.00	1.00	1.00	1.00	1.00	22647.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C31 H19 N8 O27 S Esi-6.7169995	1.00	1.00	1.00	1.00	1.00	5080849.00	3213171.00	1.00	2017950.00	1.00	1.00	688662.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	85040.00	1.00	1.00	1.00	37655.00	1.00	33393.00	1.00	1.00	1.00
C30 H24 N4 O30 S2 Esi-6.94	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15347.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	67562.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C28 H9 N9 O21 Esi-1.347	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	220646.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	74982.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C17 H28 N2 O9 S	1.00	1.00	1.00	18882.00	1.00	9391.00	1.00	1.00	11169.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11849.00	1.00	1.00	12321.00	1.00	1.00	1.00	1.00	1.00	1.00
C39 H71 N6 O2	1.00	11640.00	1.00	1.00	1.00	1.00	10569.00	10777.00	10427.00	13515.00	1.00	10115.00	9860.00	1.00	1.00	1.00	9942.00	9226.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9614.00	1.00	1.00
C24 H56 N15	1.00	1.00	1.00	1.00	1.00	1.00	11706.00	1.00	13195.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11406.00	1.00	1.00	1.00	1.00	1.00	1.00	11606.00	1.00	1.00	1.00	1.00	1.00
C41 H34	1.00	9664.00	1.00	1.00	1.00	1.00	10519.00	1.00	9113.00	1.00	1.00	10094.00	1.00	1.00	11435.00	1.00	1.00	12041.00	1.00	1.00	10816.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C32 H64 N4 O5	1.00	10900.00	1.00	1.00	1.00	1.00	9877.00	1.00	9960.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C12 H34 N6 O12	1.00	23901.00	1.00	1.00	1.00	1.00	27318.00	14243.00	1.00	1.00	1.00	1.00	308708.00	1.00	10897.00	1.00	76454.00	1.00	15302.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C30 H24 N4 O30 S2 Esi-3.6190002	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	91052.00	76589.00	1.00	30290.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C12 H16 N12 O4	1.00	1.00	1.00	1.00	1.00	16250.00	1.00	1.00	1.00	1.00	1.00	15913.00	62755.00	1.00	21298.00	1.00	1.00	1.00	21990.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C32 H20 N6 O29 S Esi-7.853	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	21858.00	1.00	1.00	1.00	14776.00	1.00	1.00	1.00	1.00	10455.00	9567.00	1.00	1.00	1.00	1.00	1.00
C7 H12 O4	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	26011.00	39256.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C31 H20 N8 O26 S2 Esi-4.567	1.00	1.00	1.00	1.00	1.00	1.00	1.00	24467.00	1.00	1.00	1.00	1.00	1.00	1.00	42852.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C39 H38	1.00	17669.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	44899.00	1.00	10044.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C20 H38 N13 O6	1.00	16580.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13903.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C34 H40 N11	1.00	15334.00	1.00	1.00	1.00	1.00	11181.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12491.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C19 H18 O4	1908077.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C19 H16 O4	538327.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C15 H11 N9 O2 S	456176.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C4 H10 O4	188710.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C24 H14 N O8	115355.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C10 H6 N3 O3	71149.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C18 H10 O2	15860.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14986.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C7 H4 N3 O5 S	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	20712.00	529653.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C15 H14 O3	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	379734.00	1.00	1.00	1.00	1.00	54589.00	1.00	14728.00	1.00	1.00	1.00	1.00	1.00
C29 H15 N2 O26 Esi-1.785	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	42596.00	1.00	1.00	34175.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C9 H3 N5 O6	1.00	1.00	1.00	1.00	1.00	77651.00	1.00	1.00	1.00	10130.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	32642.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C28 H9 N9 O21 Esi-5.416	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14145.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C20 H44 N9 O3	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11872.00	1.00	1.00	1.00	1.00	1.00	11099.00	9977.00	1.00	11149.00	1.00	1.00	1.00
C13 H24 O4	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10437.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C9 H9 N O4	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	444690.00	1.00	1.00	1.00	1.00	316107.00	1.00	1.00	1.00	48098.00	1.00	1.00	1.00	1.00	236962.00	1.00	1.00
C28 H9 N9 O21 Esi-8.421	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15281.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C5 H6 N4 O5 Esi-1.713	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	29153.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C15 H2 O17 Esi-6.344	1.00	50201.00	1.00	1.00	1.00	1.00	62781.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	57788.00	1.00	1.00	1.00	1.00	1.00	1.00	55759.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C16 H37 N12 O8	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11291.00	1.00	1.00	1.00	1.00	1.00	1.00	11050.00	1.00	1.00	1.00	9940.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C11 H13 N9 O6 S	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	160418.00	45300.00	1.00	1.00	20323.00	1.00	1.00	1.00	78673.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C10 H2 N4 O11 S Esi-5.931	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	34755.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C29 H15 N2 O26 Esi-4.511	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11371.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	18983.00	1.00	1.00	1.00	18683.00	1.00	1.00	1.00	1.00	1.00
C12 H22 N13 O3	1.00	1.00	1.00	12102.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	18326.00	1.00	1.00	12115.00	1.00	1.00	1.00	1.00	1.00	1.00
C11 H13 N9 O5 S	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	121597.00	185090.00	1.00	1.00	1.00	1.00	1.00	1.00	21021.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C6 H13 N6 S2	1.00	1.00	1.00	1.00	141046.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C46 H14 N7 O4	1.00	1.00	1.00	1.00	10550.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C49 H10 N4	1.00	1.00	1.00	1.00	11431.00	1.00	10412.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C10 H14 N3 O10	1.00	1.00	1.00	1.00	23713.00	1.00	1.00	1.00	1.00	1.00	1.00	18033.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C54 H19 Cl N5 O2	1.00	1.00	1.00	1.00	8878.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C42 H14 N15 O7	1.00	11652.00	1.00	1.00	1.00	10366.00	1.00	1.00	1.00	9597.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C58 H12 N3 O	1.00	9904.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C34 H18 N20 O13	1.00	8961.00	1.00	1.00	1.00	9086.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C8 H2 O3 Esi-1.677	1.00	22385.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	25752.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C4 H2 N3 O S3 Esi-5.58	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	24456.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C41 H79 N4 O4	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11135.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9616.00	1.00	1.00
C4 H4 N3 S3 Esi-3.995	1.00	1.00	1.00	1.00	1.00	1.00	1.00	212673.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	119423.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C7 H2 O3	1.00	1.00	1.00	85061.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	31303.00	1.00	1.00	1.00	1.00	1.00	1.00	35965.00	1.00	1.00	1.00	1.00	1.00	26410.00	1.00	1.00	1.00	1.00	1.00
C24 H29 N5 O3	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1446076.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C28 H10 N2 O	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	20811.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C17 H35 Cl3 N7 S3	1.00	1.00	1.00	11462.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	8746.00	1.00	1.00	1.00	1.00	1.00	1.00
C5 H3 O4 S	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	40900.00	1.00
C3 H5 N5 O3 Esi-4.482	1.00	1.00	1.00	1.00	1.00	1.00	167659.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00