Fiehn Lib

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The list below displays all identified metabolites that are currently screened by the Fiehn laboratory. [LINK] It is best used by querying the structure keys, as many names are non-trivial and the list below does not comprise synonyms. A further option is to query for PubChem CIDs. However, different stereoconfigurations are annotated by different PubChem CIDs, and we have not always used stereoinformation below. Again, the best way to compare compound lists is by structures, specifically InChI codes.

We are continually extending the compound list and welcome compound donations or compound structures and names with PubChem CIDs that are yet missing in our lists. For additional information please visit the FiehnLib 2009 website.

If you are interested in the corresponding mass spectra, you can purchase the Fiehn libraries for GC-quadrupole mass spectrometers from Agilent, and for GC-TOF mass spectrometers from Leco.

You can also directly compare mass spectra by compound names, by database identifiers or even against your own GC/MS spectra by querying BinBase.

1	154.12	C7H6O4	CID: 19	2,3-dihydroxybenzoic acid	GLDQAMYCGOIJDV-UHFFFAOYSA-N
2	176.16	C7H12O5	CID: 36	2-hydroxy-3-isopropylbutanedioic acid	RNQHMTFBUSSBJQ-UHFFFAOYSA-N
3	128.12	C6H8O3	CID: 39	4,4-dimethyltetrahydrofuran-2,3-dione	HRTOQFBQOFIFEE-UHFFFAOYSA-N
4	120.06	C3H4O5	CID: 45	2-hydroxypropanedioic acid	ROBFUDYVXSDBQM-UHFFFAOYSA-N
5	116.11	C5H8O3	CID: 49	3-methyl-2-oxobutanoic acid	QHKABHOOEWYVLI-UHFFFAOYSA-N
6	146.09	C5H6O5	CID: 51	2-oxopentanedioic acid	KPGXRSRHYNQIFN-UHFFFAOYSA-N
7	102.08	C4H6O3	CID: 58	2-oxobutanoic acid	TYEYBOSBBBHJIV-UHFFFAOYSA-N
8	130.14	C6H10O3	CID: 70	4-methyl-2-oxopentanoic acid	BKAJNAXTPSGJCU-UHFFFAOYSA-N
9	160.12	C6H8O5	CID: 71	2-oxohexanedioic acid	FGSBNBBHOZHUBO-UHFFFAOYSA-N
10	154.12	C7H6O4	CID: 72	3,4-dihydroxybenzoic acid	YQUVCSBJEUQKSH-UHFFFAOYSA-N
11	288.42	C19H28O2	CID: 76	3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one	FMGSKLZLMKYGDP-UHFFFAOYSA-N
12	172.13	C7H8O5	CID: 80	4,5-dihydroxy-3-oxo-1-cyclohexenecarboxylic acid	SLWWJZMPHJJOPH-UHFFFAOYSA-N
13	153.13	C7H7NO3	CID: 86	2-amino-3-hydroxybenzoic acid	WJXSWCUQABXPFS-UHFFFAOYSA-N
14	166.17	C9H10O3	CID: 91	3-(3-hydroxyphenyl)propanoic acid	QVWAEZJXDYOKEH-UHFFFAOYSA-N
15	122.12	C7H6O2	CID: 101	3-hydroxybenzaldehyde	IAVREABSGIHHMO-UHFFFAOYSA-N
16	124.13	C7H8O2	CID: 102	3-(hydroxymethyl)phenol	OKVJCVWFVRATSG-UHFFFAOYSA-N
17	150.17	C9H10O2	CID: 107	3-phenylpropanoic acid	XMIIGOLPHOKFCH-UHFFFAOYSA-N
18	132.11	C4H8N2O3	CID: 111	3-ureidopropanoic acid	JSJWCHRYRHKBBW-UHFFFAOYSA-N
19	103.11	C4H9NO2	CID: 119	4-aminobutanoic acid	BTCSSZJGUNDROE-UHFFFAOYSA-N
20	122.12	C7H6O2	CID: 126	4-hydroxybenzaldehyde	RGHHSNMVTDWUBI-UHFFFAOYSA-N
21	152.14	C8H8O3	CID: 127	2-(4-hydroxyphenyl)acetic acid	XQXPVVBIMDBYFF-UHFFFAOYSA-N
22	138.12	C7H6O3	CID: 135	4-hydroxybenzoic acid	FJKROLUGYXJWQN-UHFFFAOYSA-N
23	117.14	C5H11NO2	CID: 138	5-aminopentanoic acid	JJMDCOVWQOJGCB-UHFFFAOYSA-N
24	220.22	C11H12N2O3	CID: 144	2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid	LDCYZAJDBXYCGN-UHFFFAOYSA-N
25	352.46	C20H32O5	CID: 158	7-[3-hydroxy-2-(3-hydroxyoct-1-enyl)-5-oxocyclopentyl]-5-heptenoic acid	XEYBRNLFEZDVAW-UHFFFAOYSA-N
26	147.12	C5H9NO4	CID: 189	3-acetoxy-2-aminopropanoic acid	VZXPDPZARILFQX-UHFFFAOYSA-N
27	135.12	C5H5N5	CID: 190	7H-purin-6-amine	GFFGJBXGBJISGV-UHFFFAOYSA-N
28	267.24	C10H13N5O4	CID: 191	2-(6-amino-9-purinyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol	OIRDTQYFTABQOQ-UHFFFAOYSA-N
29	146.14	C6H10O4	CID: 196	adipic acid	WNLRTRBMVRJNCN-UHFFFAOYSA-N
30	176.13	C4H8N4O4	CID: 203	2,2-diureidoacetic acid	NUCLJNSWZCHRKL-UHFFFAOYSA-N
31	158.11	C4H6N4O3	CID: 204	(2,5-dioxo-4-imidazolidinyl)urea	POJWUDADGALRAB-UHFFFAOYSA-N
32	119.11	C4H9NO3	CID: 205	2-amino-3-hydroxybutanoic acid	AYFVYJQAPQTCCC-UHFFFAOYSA-N
33	180.15	C6H12O6	CID: 206	6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol	WQZGKKKJIJFFOK-UHFFFAOYSA-N
34	347.22	C10H14N5O7P	CID: 224	[5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate	UDMBCSSLTHHNCD-UHFFFAOYSA-N
35	290.44	C19H30O2	CID: 225	3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one	QGXBDMJGAMFCBF-UHFFFAOYSA-N
36	176.12	C6H8O6	CID: 235	2-(1,2-dihydroxyethyl)-4,5-dihydroxy-3-furanone	TYQCGQRIZGCHNB-UHFFFAOYSA-N
37	132.11	C4H8N2O3	CID: 236	2,4-diamino-4-oxobutanoic acid	DCXYFEDJOCDNAF-UHFFFAOYSA-N
38	89.093	C3H7NO2	CID: 239	3-aminopropanoic acid	UCMIRNVEIXFBKS-UHFFFAOYSA-N
39	106.12	C7H6O	CID: 240	benzaldehyde	HUMNYLRZRPPJDN-UHFFFAOYSA-N
40	122.12	C7H6O2	CID: 243	benzoic acid	WPYMKLBDIGXBTP-UHFFFAOYSA-N
41	108.13	C7H8O	CID: 244	phenylmethanol	WVDDGKGOMKODPV-UHFFFAOYSA-N
42	244.31	C10H16N2O3S	CID: 253	5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl)pentanoic acid	YBJHBAHKTGYVGT-UHFFFAOYSA-N
43	186.20	C12H10O2	CID: 254	3-phenylbenzene-1,2-diol	YKOQAAJBYBTSBS-UHFFFAOYSA-N
44	72.105	C4H8O	CID: 261	butanal	ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
45	329.20	C10H12N5O6P	CID: 274	8-(6-amino-9-purinyl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol	IVOMOUWHDPKRLL-UHFFFAOYSA-N
46	176.17	C5H12N4O3	CID: 275	2-amino-4-guanidinooxybutanoic acid	FSBIGDSBMBYOPN-UHFFFAOYSA-N
47	176.12	C5H8N2O5	CID: 279	2-ureidobutanedioic acid	HLKXYZVTANABHZ-UHFFFAOYSA-N
48	91.066	C2H5NO3	CID: 286	2-aminooxyacetic acid	NQRKYASMKDDGHT-UHFFFAOYSA-N
49	161.19	C7H15NO3	CID: 288	3-hydroxy-4-(trimethylammonio)butanoate	PHIQHXFUZVPYII-UHFFFAOYSA-N
50	110.11	C6H6O2	CID: 289	benzene-1,2-diol	YCIMNLLNPGFGHC-UHFFFAOYSA-N
51	345.20	C10H12N5O7P	CID: 295	2-amino-9-(3,9-dihydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl)-3H-purin-6-one	ZOOGRGPOEVQQDX-UHFFFAOYSA-N
52	408.57	C24H40O5	CID: 303	4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	BHQCQFFYRZLCQQ-UHFFFAOYSA-N
53	386.65	C27H46O	CID: 304	17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	HVYWMOMLDIMFJA-UHFFFAOYSA-N
54	192.12	C6H8O7	CID: 311	citric acid	KRKNYBCHXYNGOX-UHFFFAOYSA-N
55	323.19	C9H14N3O8P	CID: 314	[5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate	IERHLVCPSMICTF-UHFFFAOYSA-N
56	150.21	C10H14O	CID: 325	(4-isopropylphenyl)methanol	OIGWAXDAPKFNCQ-UHFFFAOYSA-N
57	168.14	C8H8O4	CID: 328	2-hydroxy-2-(4-hydroxyphenyl)acetic acid	YHXHKYRQLYQUIH-UHFFFAOYSA-N
58	108.13	C7H8O	CID: 335	2-methylphenol	QWVGKYWNOKOFNN-UHFFFAOYSA-N
59	138.12	C7H6O3	CID: 338	2-hydroxybenzoic acid	YGSDEFSMJLZEOE-UHFFFAOYSA-N
60	125.06	C2H8NO3P	CID: 339	2-aminoethylphosphonic acid	QQVDJLLNRSOCEL-UHFFFAOYSA-N
61	124.13	C7H8O2	CID: 340	3-methylbenzene-1,2-diol	PGSWEKYNAOWQDF-UHFFFAOYSA-N
62	108.13	C7H8O	CID: 342	3-methylphenol	RLSSMJSEOOYNOY-UHFFFAOYSA-N
63	272.25	C12H16O7	CID: 346	2-(hydroxymethyl)-6-(4-hydroxyphenoxy)tetrahydropyran-3,4,5-triol	BJRNKVDFDLYUGJ-UHFFFAOYSA-N
64	126.11	C6H6O3	CID: 359	benzene-1,3,5-triol	QCDYQQDYXPDABM-UHFFFAOYSA-N
65	170.11	C7H6O5	CID: 370	3,4,5-trihydroxybenzoic acid	LNTHITQWFMADLM-UHFFFAOYSA-N
66	219.08	C6H6NO6P	CID: 378	(4-nitrophenyl) dihydrogen phosphate	XZKIHKMTEMTJQX-UHFFFAOYSA-N
67	144.21	C8H16O2	CID: 379	octanoic acid	WWZKQHOCKIZLMA-UHFFFAOYSA-N
68	160.16	C7H12O4	CID: 385	heptanedioic acid	WLJVNTCWHIRURA-UHFFFAOYSA-N
69	174.19	C10H10N2O	CID: 397	2-(1H-indol-3-yl)acetamide	ZOAMBXDOGPRZLP-UHFFFAOYSA-N
70	102.09	C3H6N2O2	CID: 401	4-amino-3-isoxazolidinone	DYDCUQKUCUHJBH-UHFFFAOYSA-N
71	109.12	C6H7NO	CID: 403	4-aminophenol	PLIKAWJENQZMHA-UHFFFAOYSA-N
72	148.20	C9H12N2	CID: 412	3-(2-pyrrolidinyl)pyridine	MYKUKUCHPMASKF-UHFFFAOYSA-N
73	208.34	C8H16O2S2	CID: 421	6,8-dimercaptooctanoic acid	IZFHEQBZOYJLPK-UHFFFAOYSA-N
74	276.13	C6H13O10P	CID: 422	2,3,4,5-tetrahydroxy-6-phosphonooxyhexanoic acid	BIRSGZKFKXLSJQ-UHFFFAOYSA-N
75	133.10	C4H7NO4	CID: 424	2-aminobutanedioic acid	CKLJMWTZIZZHCS-UHFFFAOYSA-N
76	256.25	C15H12O4	CID: 425	1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one	DXDRHHKMWQZJHT-UHFFFAOYSA-N
77	74.124	C3H10N2	CID: 428	propane-1,3-diamine	XFNJVJPLKCPIBV-UHFFFAOYSA-N
78	384.63	C27H44O	CID: 440	17-(1,5-dimethylhexyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one	NYOXRYYXRWJDKP-UHFFFAOYSA-N
79	104.10	C4H8O3	CID: 441	3-hydroxybutanoic acid	WHBMMWSBFZVSSR-UHFFFAOYSA-N
80	128.21	C8H16O	CID: 454	octanal	NUJGJRNETVAIRJ-UHFFFAOYSA-N
81	137.15	C7H9N2O	CID: 457	1-methyl-3-pyridin-1-iumcarboxamide	LDHMAVIPBRSVRG-UHFFFAOYSA-O
82	124.13	C7H8O2	CID: 460	2-methoxyphenol	LHGVFZTZFXWLCP-UHFFFAOYSA-N
83	179.17	C9H9NO3	CID: 464	2-[[oxo(phenyl)methyl]amino]acetic acid	QIAFMBKCNZACKA-UHFFFAOYSA-N
84	161.15	C6H11NO4	CID: 469	2-aminohexanedioic acid	OYIFNHCXNCRBQI-UHFFFAOYSA-N
85	118.13	C4H10N2O2	CID: 470	2,4-diaminobutanoic acid	OGNSCSPNOLGXSM-UHFFFAOYSA-N
86	304.25	C15H12O7	CID: 471	2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-chromanone	CXQWRCVTCMQVQX-UHFFFAOYSA-N
87	118.08	C4H6O4	CID: 487	2-methylpropanedioic acid	ZIYVHBGGAOATLY-UHFFFAOYSA-N
88	145.15	C5H11N3O2	CID: 500	4-guanidinobutanoic acid	TUHVEAJXIMEOSA-UHFFFAOYSA-N
89	156.03	C2H5O6P	CID: 529	2-phosphonooxyacetic acid	ASCFNMCAHFUBCO-UHFFFAOYSA-N
90	101.10	C4H7NO2	CID: 535	1-aminocyclopropanecarboxylic acid	PAJPWUMXBYXFCZ-UHFFFAOYSA-N
91	168.14	C8H8O4	CID: 547	2-(3,4-dihydroxyphenyl)acetic acid	CFFZDZCDUFSOFZ-UHFFFAOYSA-N
92	168.19	C12H8O	CID: 568	dibenzofuran	TXCDCPKCNAJMEE-UHFFFAOYSA-N
93	131.13	C4H9N3O2	CID: 586	2-[carbamimidoyl(methyl)amino]acetic acid	CVSVTCORWBXHQV-UHFFFAOYSA-N
94	113.11	C4H7N3O	CID: 588	2-amino-3-methyl-4H-imidazol-5-one	DDRJAANPRJIHGJ-UHFFFAOYSA-N
95	121.15	C3H7NO2S	CID: 594	2-amino-3-mercaptopropanoic acid	XUJNEKJLAYXESH-UHFFFAOYSA-N
96	243.21	C9H13N3O5	CID: 596	4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone	UHDGCWIWMRVCDJ-UHFFFAOYSA-N
97	111.10	C4H5N3O	CID: 597	6-amino-1H-pyrimidin-2-one	OPTASPLRGRRNAP-UHFFFAOYSA-N
98	142.19	C2H6O3S2	CID: 598	2-mercaptoethanesulfonic acid	ZNEWHQLOPFWXOF-UHFFFAOYSA-N
99	160.17	C6H12N2O3	CID: 601	2-[(2-amino-1-oxopropyl)amino]propanoic acid	DEFJQIDDEAULHB-UHFFFAOYSA-N
100	89.093	C3H7NO2	CID: 602	2-aminopropanoic acid	QNAYBMKLOCPYGJ-UHFFFAOYSA-N
101	196.15	C6H12O7	CID: 604	2,3,4,5,6-pentahydroxyhexanoic acid	RGHNJXZEOKUKBD-UHFFFAOYSA-N
102	210.13	C6H10O8	CID: 607	2,3,4,5-tetrahydroxyhexanedioic acid	DSLZVSRJTYRBFB-UHFFFAOYSA-N
103	178.13	C6H10O6	CID: 608	5-(1,2-dihydroxyethyl)-3,4-dihydroxy-2-tetrahydrofuranone	SXZYCXMUPBBULW-UHFFFAOYSA-N
104	147.12	C5H9NO4	CID: 611	2-aminopentanedioic acid	WHUUTDBJXJRKMK-UHFFFAOYSA-N
105	90.077	C3H6O3	CID: 612	2-hydroxypropanoic acid	JVTAAEKCZFNVCJ-UHFFFAOYSA-N
106	115.13	C5H9NO2	CID: 614	2-pyrrolidinecarboxylic acid	ONIBWKKTOPOVIA-UHFFFAOYSA-N
107	105.09	C3H7NO3	CID: 617	2-amino-3-hydroxypropanoic acid	MTCFGRXMJLQNBG-UHFFFAOYSA-N
108	331.22	C10H14N5O6P	CID: 621	[5-(6-amino-9-purinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate	KHWCHTKSEGGWEX-UHFFFAOYSA-N
109	251.24	C10H13N5O3	CID: 636	5-(6-amino-9-purinyl)-2-(hydroxymethyl)-3-tetrahydrofuranol	OLXZPDWKRNYJJZ-UHFFFAOYSA-N
110	227.21	C9H13N3O4	CID: 637	4-amino-1-[4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone	CKTSBUTUHBMZGZ-UHFFFAOYSA-N
111	267.24	C10H13N5O4	CID: 638	2-amino-9-[4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3H-purin-6-one	YKBGVTZYEHREMT-UHFFFAOYSA-N
112	228.20	C9H12N2O5	CID: 640	1-[4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione	MXHRCPNRJAMMIM-UHFFFAOYSA-N
113	114.10	C4H6N2O2	CID: 649	hexahydropyrimidine-2,4-dione	OIVLITBTBDPEFK-UHFFFAOYSA-N
114	148.15	C9H8O2	CID: 660	2-chromanone	VMUXSMXIQBNMGZ-UHFFFAOYSA-N
115	170.05	C3H7O6P	CID: 668	(3-hydroxy-2-oxopropyl) dihydrogen phosphate	GNGACRATGGDKBX-UHFFFAOYSA-N
116	90.077	C3H6O3	CID: 670	1,3-dihydroxy-2-propanone	RXKJFZQQPQGTFL-UHFFFAOYSA-N
117	204.17	C11H8O4	CID: 671	1,4-dihydroxy-2-naphthalenecarboxylic acid	VOJUXHHACRXLTD-UHFFFAOYSA-N
118	103.11	C4H9NO2	CID: 673	2-(dimethylamino)acetic acid	FFDGPVCHZBVARC-UHFFFAOYSA-N
119	146.18	C9H10N2	CID: 675	5,6-dimethyl-1H-benzimidazole	LJUQGASMPRMWIW-UHFFFAOYSA-N
120	153.17	C8H11NO2	CID: 681	4-(2-aminoethyl)benzene-1,2-diol	VYFYYTLLBUKUHU-UHFFFAOYSA-N
121	200.08	C4H9O7P	CID: 697	(2,3-dihydroxy-4-oxobutyl) dihydrogen phosphate	NGHMDNPXVRFFGS-UHFFFAOYSA-N
122	61.083	C2H7NO	CID: 700	2-aminoethanol	HZAXFHJVJLSVMW-UHFFFAOYSA-N
123	186.05	C3H7O7P	CID: 724	2-hydroxy-3-phosphonooxypropanoic acid	OSJPPGNTCRNQQC-UHFFFAOYSA-N
124	170.05	C3H7O6P	CID: 729	(2-hydroxy-3-oxopropyl) dihydrogen phosphate	LXJXRIRHZLFYRP-UHFFFAOYSA-N
125	178.13	C6H10O6	CID: 736	3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranone	PHOQVHQSTUBQQK-UHFFFAOYSA-N
126	146.14	C5H10N2O3	CID: 738	2,5-diamino-5-oxopentanoic acid	ZDXPYRJPNDTMRX-UHFFFAOYSA-N
127	259.15	C6H14NO8P	CID: 740	[3-amino-4,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl] dihydrogen phosphate	YMJBYRVFGYXULK-UHFFFAOYSA-N
128	132.11	C5H8O4	CID: 743	glutaric acid	JFCQEDHGNNZCLN-UHFFFAOYSA-N
129	75.066	C2H5NO2	CID: 750	2-aminoacetic acid	DHMQDGOQFOQNFH-UHFFFAOYSA-N
130	90.077	C3H6O3	CID: 751	2,3-dihydroxypropanal	MNQZXJOMYWMBOU-UHFFFAOYSA-N
131	106.07	C3H6O4	CID: 752	2,3-dihydroxypropanoic acid	RBNPOMFGQQGHHO-UHFFFAOYSA-N
132	92.093	C3H8O3	CID: 753	glycerol	PEDCQBHIVMGVHV-UHFFFAOYSA-N
133	172.07	C3H9O6P	CID: 754	2,3-dihydroxypropyl dihydrogen phosphate	AWUCVROLDVIAJX-UHFFFAOYSA-N
134	76.051	C2H4O3	CID: 757	2-hydroxyacetic acid	AEMRFAOFKBGASW-UHFFFAOYSA-N
135	117.10	C3H7N3O2	CID: 763	2-guanidinoacetic acid	BPMFZUMJYQTVII-UHFFFAOYSA-N
136	151.12	C5H5N5O	CID: 764	2-amino-3,7-dihydropurin-6-one	UYTPUPDQBNUYGX-UHFFFAOYSA-N
137	283.24	C10H13N5O5	CID: 765	2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3H-purin-6-one	NYHBQMYGNKIUIF-UHFFFAOYSA-N
138	168.14	C8H8O4	CID: 780	2-(2,5-dihydroxyphenyl)acetic acid	IGMNYECMUMZDDF-UHFFFAOYSA-N
139	110.11	C6H6O2	CID: 785	benzene-1,4-diol	QIGBRXMKCJKVMJ-UHFFFAOYSA-N
140	33.029	H3NO	CID: 787	hydroxylamine	AVXURJPOCDRRFD-UHFFFAOYSA-N
141	136.11	C5H4N4O	CID: 790	3,7-dihydropurin-6-one	FDGQSTZJBFJUBT-UHFFFAOYSA-N
142	131.17	C6H13NO2	CID: 791	2-amino-3-methylpentanoic acid	AGPKZVBTJJNPAG-UHFFFAOYSA-N
143	348.20	C10H13N4O8P	CID: 797	[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate	GRSZFWQUAKGDAV-UHFFFAOYSA-N
144	175.18	C10H9NO2	CID: 802	2-(1H-indol-3-yl)acetic acid	SEOVTRFCIGRIMH-UHFFFAOYSA-N
145	203.19	C11H9NO3	CID: 803	3-(1H-indol-3-yl)-2-oxopropanoic acid	RSTKLPZEZYGQPY-UHFFFAOYSA-N
146	268.22	C10H12N4O5	CID: 804	9-[3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3H-purin-6-one	UGQMRVRMYYASKQ-UHFFFAOYSA-N
147	130.09	C5H6O4	CID: 811	2-methylenebutanedioic acid	LVHBHZANLOWSRM-UHFFFAOYSA-N
148	117.14	C5H11NO2	CID: 824	2-aminopentanoic acid	SNDPXSYFESPGGJ-UHFFFAOYSA-N
149	152.14	C5H12O5	CID: 827	pentane-1,2,3,4,5-pentol	HEBKCHPVOIAQTA-UHFFFAOYSA-N
150	175.18	C6H13N3O3	CID: 833	2-amino-5-ureidopentanoic acid	RHGKLRLOHDJJDR-UHFFFAOYSA-N
151	174.10	C6H6O6	CID: 835	5-(1,2-dihydroxyethyl)tetrahydrofuran-2,3,4-trione	SBJKKFFYIZUCET-UHFFFAOYSA-N
152	197.18	C9H11NO4	CID: 836	2-amino-3-(3,4-dihydroxyphenyl)propanoic acid	WTDRDQBEARUVNC-UHFFFAOYSA-N
153	183.20	C9H13NO3	CID: 838	4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol	UCTWMZQNUQWSLP-UHFFFAOYSA-N
154	165.21	C5H11NO3S	CID: 847	2-amino-4-methylsulfinylbutanoic acid	QEFRNWWLZKMPFJ-UHFFFAOYSA-N
155	129.15	C6H11NO2	CID: 849	2-piperidinecarboxylic acid	HXEACLLIILLPRG-UHFFFAOYSA-N
156	131.17	C6H13NO2	CID: 857	2-amino-4-methylpentanoic acid	ROHFNLRQFUQHCH-UHFFFAOYSA-N
157	205.34	C8H15NOS2	CID: 863	5-(3-dithiolanyl)pentanamide	FCCDDURTIIUXBY-UHFFFAOYSA-N
158	190.19	C7H14N2O4	CID: 865	2,6-diaminoheptanedioic acid	GMKMEZVLHJARHF-UHFFFAOYSA-N
159	104.06	C3H4O4	CID: 867	malonic acid	OFOBLEOULBTSOW-UHFFFAOYSA-N
160	166.17	C9H10O3	CID: 873	3-(2-hydroxyphenyl)propanoic acid	CJBDUOMQLFKVQC-UHFFFAOYSA-N
161	130.09	C5H6O4	CID: 874	2-methyl-2-butenedioic acid	HNEGQIOMVPPMNR-UHFFFAOYSA-N
162	150.08	C4H6O6	CID: 875	2,3-dihydroxybutanedioic acid	FEWJPZIEWOKRBE-UHFFFAOYSA-N
163	149.21	C5H11NO2S	CID: 876	2-amino-4-(methylthio)butanoic acid	FFEARJCKVFRZRR-UHFFFAOYSA-N
164	180.15	C6H12O6	CID: 892	cyclohexane-1,2,3,4,5,6-hexol	CDAISMWEOUEBRE-UHFFFAOYSA-N
165	232.27	C13H16N2O2	CID: 896	N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide	DRLFMBDRBRZALE-UHFFFAOYSA-N
166	221.20	C8H15NO6	CID: 899	N-[2,4,5-trihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]acetamide	OVRNDRQMDRJTHS-UHFFFAOYSA-N
167	218.25	C12H14N2O2	CID: 903	N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide	MVAWJSIDNICKHF-UHFFFAOYSA-N
168	135.16	C8H9NO	CID: 904	N-phenylacetamide	FZERHIULMFGESH-UHFFFAOYSA-N
169	174.19	C7H14N2O3	CID: 907	2-acetamido-5-aminopentanoic acid	JRLGPAXAGHMNOL-UHFFFAOYSA-N
170	177.22	C6H11NO3S	CID: 911	2-formamido-4-(methylthio)butanoic acid	PYUSHNKNPOHWEZ-UHFFFAOYSA-N
171	151.20	C9H13NO	CID: 913	2-(methylamino)-1-phenylethanol	ZCTYHONEGJTYQV-UHFFFAOYSA-N
172	218.25	C12H14N2O2	CID: 914	3-(1H-indol-3-yl)-2-(methylamino)propanoic acid	CZCIKBSVHDNIDH-UHFFFAOYSA-N
173	128.17	C10H8	CID: 931	naphthalene	UFWIBTONFRDIAS-UHFFFAOYSA-N
174	122.12	C6H6N2O	CID: 936	3-pyridinecarboxamide	DFPAKSUCGFBDDF-UHFFFAOYSA-N
175	123.10	C6H5NO2	CID: 938	3-pyridinecarboxylic acid	PVNIIMVLHYAWGP-UHFFFAOYSA-N
176	169.17	C8H11NO3	CID: 951	4-(2-amino-1-hydroxyethyl)benzene-1,2-diol	SFLSHLFXELFNJZ-UHFFFAOYSA-N
177	219.19	C8H13NO6	CID: 954	2-amino-4-(4-hydroxy-1,4-dioxobutoxy)butanoic acid	GNISQJGXJIDKDJ-UHFFFAOYSA-N
178	130.22	C8H18O	CID: 957	1-octanol	KBPLFHHGFOOTCA-UHFFFAOYSA-N
179	104.06	C3H4O4	CID: 964	3-hydroxy-2-oxopropanoic acid	HHDDCCUIIUWNGJ-UHFFFAOYSA-N
180	282.46	C18H34O2	CID: 965	9-octadecenoic acid	ZQPPMHVWECSIRJ-UHFFFAOYSA-N
181	156.09	C5H4N2O4	CID: 967	2,4-dioxo-1H-pyrimidine-6-carboxylic acid	PXQPEWDEAKTCGB-UHFFFAOYSA-N
182	132.07	C4H4O5	CID: 970	2-oxobutanedioic acid	KHPXUQMNIQBQEV-UHFFFAOYSA-N
183	90.034	C2H2O4	CID: 971	oxalic acid	MUBZPKHOEPUJKR-UHFFFAOYSA-N
184	89.050	C2H3NO3	CID: 974	oxamic acid	SOWBFZRMHSNYGE-UHFFFAOYSA-N
185	137.13	C7H7NO2	CID: 978	4-aminobenzoic acid	ALYNCZNDIQEVRV-UHFFFAOYSA-N
186	180.15	C9H8O4	CID: 979	3-(4-hydroxyphenyl)-2-oxopropanoic acid	KKADPXVIOXHVKN-UHFFFAOYSA-N
187	139.10	C6H5NO3	CID: 980	4-nitrophenol	BTJIUGUIPKRLHP-UHFFFAOYSA-N
188	256.42	C16H32O2	CID: 985	palmitic acid	IPCSVZSSVZVIGE-UHFFFAOYSA-N
189	150.12	C5H10O5	CID: 993	5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol	HMFHBZSHGGEWLO-UHFFFAOYSA-N
190	165.18	C9H11NO2	CID: 994	2-amino-3-phenylpropanoic acid	COLNVLDHVKWLRT-UHFFFAOYSA-N
191	178.22	C14H10	CID: 995	phenanthrene	YNPNZTXNASCQKK-UHFFFAOYSA-N
192	164.15	C9H8O3	CID: 997	2-oxo-3-phenylpropanoic acid	BTNMPGBKDVTSJY-UHFFFAOYSA-N
193	120.14	C8H8O	CID: 998	2-phenylacetaldehyde	DTUQWGWMVIHBKE-UHFFFAOYSA-N
194	136.14	C8H8O2	CID: 999	2-phenylacetic acid	WLJVXDMOQOGPHL-UHFFFAOYSA-N
195	137.17	C8H11NO	CID: 1000	2-amino-1-phenylethanol	ULSIYEODSMZIPX-UHFFFAOYSA-N
196	121.17	C8H11N	CID: 1001	2-phenylethanamine	BHHGXPLMPWCGHP-UHFFFAOYSA-N
197	97.995	H3O4P	CID: 1004	phosphoric acid	NBIIXXVUZAFLBC-UHFFFAOYSA-N
198	168.04	C3H5O6P	CID: 1005	2-phosphonooxy-2-propenoic acid	DTBNBXWJWCWCIK-UHFFFAOYSA-N
199	141.06	C2H8NO4P	CID: 1015	2-aminoethyl dihydrogen phosphate	SUHOOTKUPISOBE-UHFFFAOYSA-N
200	199.09	C4H10NO6P	CID: 1016	2-amino-3-phosphonooxybutanoic acid	USRGIUJOYOXOQJ-UHFFFAOYSA-N
201	166.13	C8H6O4	CID: 1017	phthalic acid	XNGIFLGASWRNHJ-UHFFFAOYSA-N
202	123.10	C6H5NO2	CID: 1018	2-pyridinecarboxylic acid	SIOXPEMLGUPBBT-UHFFFAOYSA-N
203	226.22	C10H14N2O4	CID: 1021	3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid	QSHWIQZFGQKFMA-UHFFFAOYSA-N
204	177.97	H4O7P2	CID: 1023	phosphono dihydrogen phosphate	XPPKVPWEQAFLFU-UHFFFAOYSA-N
205	88.151	C4H12N2	CID: 1045	butane-1,4-diamine	KIDHWZJUCRJVML-UHFFFAOYSA-N
206	247.14	C8H10NO6P	CID: 1051	(4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl dihydrogen phosphate	NGVDGCNFYWLIFO-UHFFFAOYSA-N
207	169.17	C8H11NO3	CID: 1054	4,5-bis(hydroxymethyl)-2-methyl-3-pyridinol	LXNHXLLTXMVWPM-UHFFFAOYSA-N
208	126.11	C6H6O3	CID: 1057	benzene-1,2,3-triol	WQGWDDDVZFFDIG-UHFFFAOYSA-N
209	88.062	C3H4O3	CID: 1060	2-oxopropanoic acid	LCTONWCANYUPML-UHFFFAOYSA-N
210	192.16	C7H12O6	CID: 1064	1,3,4,5-tetrahydroxycyclohexanecarboxylic acid	AAWZDTNXLSGCEK-UHFFFAOYSA-N
211	167.11	C7H5NO4	CID: 1066	pyridine-2,3-dicarboxylic acid	GJAWHXHKYYXBSV-UHFFFAOYSA-N
212	179.19	C5H9NO4S	CID: 1080	2-amino-3-(carboxymethylthio)propanoic acid	GBFLZEXEOZUWRN-UHFFFAOYSA-N
213	276.28	C11H20N2O6	CID: 1087	2-[(5-amino-6-hydroxy-6-oxohexyl)amino]pentanedioic acid	ZDGJAHTZVHVLOT-UHFFFAOYSA-N
214	89.093	C3H7NO2	CID: 1088	2-(methylamino)acetic acid	FSYKKLYZXJSNPZ-UHFFFAOYSA-N
215	174.15	C7H10O5	CID: 1094	3,4,5-trihydroxy-1-cyclohexenecarboxylic acid	JXOHGGNKMLTUBP-UHFFFAOYSA-N
216	180.15	C6H12O6	CID: 1101	1,3,4,5,6-pentahydroxy-2-hexanone	BJHIKXHVCXFQLS-UHFFFAOYSA-N
217	145.24	C7H19N3	CID: 1102	N-(3-aminopropyl)butane-1,4-diamine	ATHGHQPFGPMSJY-UHFFFAOYSA-N
218	202.34	C10H26N4	CID: 1103	N,N'-bis(3-aminopropyl)butane-1,4-diamine	PFNFFQXMRSDOHW-UHFFFAOYSA-N
219	410.71	C30H50	CID: 1105	2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene	YYGNTYWPHWGJRM-UHFFFAOYSA-N
220	118.08	C4H6O4	CID: 1110	succinic acid	KDYFGRWQOYBRFD-UHFFFAOYSA-N
221	102.08	C4H6O3	CID: 1112	4-oxobutanoic acid	UIUJIQZEACWQSV-UHFFFAOYSA-N
222	98.078	H2O4S	CID: 1118	sulfuric acid	QAOWNCQODCNURD-UHFFFAOYSA-N
223	125.14	C2H7NO3S	CID: 1123	2-aminoethanesulfonic acid	XOAAWQZATWQOTB-UHFFFAOYSA-N
224	126.11	C5H6N2O2	CID: 1135	5-methyl-1H-pyrimidine-2,4-dione	RWQNBRDOKXIBIV-UHFFFAOYSA-N
225	143.20	C6H9NOS	CID: 1136	2-(4-methyl-5-thiazolyl)ethanol	BKAWJIRCKVUVED-UHFFFAOYSA-N
226	204.22	C11H12N2O2	CID: 1148	2-amino-3-(1H-indol-3-yl)propanoic acid	QIVBCDIJIAJPQS-UHFFFAOYSA-N
227	181.18	C9H11NO3	CID: 1153	2-amino-3-(4-hydroxyphenyl)propanoic acid	OUYCCCASQSFEME-UHFFFAOYSA-N
228	112.08	C4H4N2O2	CID: 1174	1H-pyrimidine-2,4-dione	ISAKRJDGNUQOIC-UHFFFAOYSA-N
229	168.11	C5H4N4O3	CID: 1175	7,9-dihydro-3H-purine-2,6,8-trione	LEHOTFFKMJEONL-UHFFFAOYSA-N
230	60.055	CH4N2O	CID: 1176	urea	XSQUKJJJFZCRTK-UHFFFAOYSA-N
231	138.12	C6H6N2O2	CID: 1178	3-(1H-imidazol-5-yl)-2-propenoic acid	LOIYMIARKYCTBW-UHFFFAOYSA-N
232	117.14	C5H11NO2	CID: 1182	2-amino-3-methylbutanoic acid	KZSNJWFQEVHDMF-UHFFFAOYSA-N
233	152.14	C8H8O3	CID: 1183	4-hydroxy-3-methoxybenzaldehyde	MWOOGOJBHIARFG-UHFFFAOYSA-N
234	152.11	C5H4N4O2	CID: 1188	3,7-dihydropurine-2,6-dione	LRFVTYWOQMYALW-UHFFFAOYSA-N
235	284.22	C10H12N4O6	CID: 1189	9-[3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3H-purine-2,6-dione	UBORTCNDUKBEOP-UHFFFAOYSA-N
236	192.12	C6H8O7	CID: 1198	1-hydroxypropane-1,2,3-tricarboxylic acid	ODBLHEXUDAPZAU-UHFFFAOYSA-N
237	198.17	C9H10O5	CID: 1245	2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid	CGQCWMIAEPEHNQ-UHFFFAOYSA-N
238	152.14	C8H8O3	CID: 1292	2-hydroxy-2-phenylacetic acid	IWYDHOAUDWTVEP-UHFFFAOYSA-N
239	400.59	C23H44O5	CID: 1321	decanoic acid [1-(hydroxymethyl)-2-(1-oxodecoxy)ethyl] ester	GNSDEDOVXZDMKM-UHFFFAOYSA-N
240	105.13	C4H11NO2	CID: 1531	2-amino-2-methylpropane-1,3-diol	UXFQFBNBSPQBJW-UHFFFAOYSA-N
241	70.093	C3H6N2	CID: 1647	3-aminopropanenitrile	AGSPXMVUFBBBMO-UHFFFAOYSA-N
242	162.14	C6H10O5	CID: 1662	3-hydroxy-3-methylpentanedioic acid	NPOAOTPXWNWTSH-UHFFFAOYSA-N
243	182.17	C9H10O4	CID: 1738	2-(4-hydroxy-3-methoxyphenyl)acetic acid	QRMZSPFSDQBLIX-UHFFFAOYSA-N
244	191.18	C10H9NO3	CID: 1826	2-(5-hydroxy-1H-indol-3-yl)acetic acid	DUUGKQCEGZLZNO-UHFFFAOYSA-N
245	190.24	C11H14N2O	CID: 1833	2-(5-methoxy-1H-indol-3-yl)ethanamine	JTEJPPKMYBDEMY-UHFFFAOYSA-N
246	256.25	C15H12O4	CID: 1889	7-hydroxy-2-(4-hydroxyphenyl)-4-chromanone	FURUXTVZLHCCNA-UHFFFAOYSA-N
247	75.066	C2H5NO2	CID: 1990	ethanehydroxamic acid	RRUDCFGSUDOHDG-UHFFFAOYSA-N
248	173.20	C8H15NO3	CID: 1995	2-acetamido-4-methylpentanoic acid	WXNXCEHXYPACJF-UHFFFAOYSA-N
249	246.26	C13H14N2O3	CID: 2002	2-acetamido-3-(1H-indol-3-yl)propanoic acid	DZTHIGRZJZPRDV-UHFFFAOYSA-N
250	265.33	C12H15N3O2S	CID: 2082	N-[6-(propylthio)-1H-benzimidazol-2-yl]carbamic acid methyl ester	HXHWSAZORRCQMX-UHFFFAOYSA-N
251	430.70	C29H50O2	CID: 2116	2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol	GVJHHUAWPYXKBD-UHFFFAOYSA-N
252	472.74	C31H52O3	CID: 2117	acetic acid [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanyl] ester	ZAKOWWREFLAJOT-UHFFFAOYSA-N
253	162.23	C10H14N2	CID: 2181	3-(2-piperidinyl)pyridine	MTXSIJUGVMTTMU-UHFFFAOYSA-N
254	286.40	C19H26O2	CID: 2193	10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione	AEMFNILZOJDQLW-UHFFFAOYSA-N
255	180.15	C9H8O4	CID: 2244	2-acetoxybenzoic acid	BSYNRYMUTXBXSQ-UHFFFAOYSA-N
256	188.22	C9H16O4	CID: 2266	nonanedioic acid	BDJRBEYXGGNYIS-UHFFFAOYSA-N
257	121.13	C7H7NO	CID: 2331	benzamide	KXDAEFPNCMNJSK-UHFFFAOYSA-N
258	216.18	C12H8O4	CID: 2355	4-methoxy-7-furo[3,2-g]chromenone	BGEBZHIAGXMEMV-UHFFFAOYSA-N
259	180.15	C9H8O4	CID: 2518	3-(3,4-dihydroxyphenyl)-2-propenoic acid	QAIPRVGONGVQAS-UHFFFAOYSA-N
260	194.19	C8H10N4O2	CID: 2519	1,3,7-trimethylpurine-2,6-dione	RYYVLZVUVIJVGH-UHFFFAOYSA-N
261	172.07	C3H9O6P	CID: 2526	[2-hydroxy-1-(hydroxymethyl)ethyl] dihydrogen phosphate	DHCLVCXQIBBOPH-UHFFFAOYSA-N
262	242.44	C16H34O	CID: 2682	1-hexadecanol	BXWNKGSJHAJOGX-UHFFFAOYSA-N
263	162.14	C6H10O5	CID: 2859	7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol	ZHMWOVGZCINIHW-UHFFFAOYSA-N
264	108.13	C7H8O	CID: 2879	4-methylphenol	IWDCLRJOBJJRNH-UHFFFAOYSA-N
265	129.15	C6H11NO2	CID: 2901	1-aminocyclopentanecarboxylic acid	NILQLFBWTXNUOE-UHFFFAOYSA-N
266	172.26	C10H20O2	CID: 2969	decanoic acid	GHVNFZFCNZKVNT-UHFFFAOYSA-N
267	301.50	C18H39NO2	CID: 3126	2-aminooctadecane-1,3-diol	OTKJDMGTUTTYMP-UHFFFAOYSA-N
268	288.38	C18H24O3	CID: 3269	13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol	PROQIPRRNZUXQM-UHFFFAOYSA-N
269	138.05	C3H7O4P	CID: 3417	(3-methyl-2-oxiranyl)phosphonic acid	YMDXZJFXQJVXBF-UHFFFAOYSA-N
270	154.12	C7H6O4	CID: 3469	2,5-dihydroxybenzoic acid	WXTMDXOMEHJXQO-UHFFFAOYSA-N
271	100.11	C5H8O2	CID: 3485	pentanedial	SXRSQZLOMIGNAQ-UHFFFAOYSA-N
272	302.27	C16H14O6	CID: 3593	5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone	AIONOLUJZLIMTK-UHFFFAOYSA-N
273	76.054	CH4N2O2	CID: 3657	hydroxyurea	VSNHCAURESNICA-UHFFFAOYSA-N
274	289.36	C17H23NO3	CID: 3661	3-hydroxy-2-phenylpropanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester	RKUNBYITZUJHSG-UHFFFAOYSA-N
275	147.17	C9H9NO	CID: 3712	1H-indol-3-ylmethanol	IVYPNXXAYMYVSP-UHFFFAOYSA-N
276	189.21	C11H11NO2	CID: 3744	3-(1H-indol-3-yl)propanoic acid	GOLXRNDWAUTYKT-UHFFFAOYSA-N
277	174.15	C10H6O3	CID: 3806	5-hydroxynaphthalene-1,4-dione	KQPYUDDGWXQXHS-UHFFFAOYSA-N
278	189.16	C10H7NO3	CID: 3845	4-oxo-1H-quinoline-2-carboxylic acid	HCZHHEIFKROPDY-UHFFFAOYSA-N
279	166.17	C9H10O3	CID: 3848	2-hydroxy-3-phenylpropanoic acid	VOXXWSYKYCBWHO-UHFFFAOYSA-N
280	169.07	C3H8NO5P	CID: 3857	2-amino-3-phosphonopropanoic acid	LBTABPSJONFLPO-UHFFFAOYSA-N
281	208.21	C11H12O4	CID: 3858	2-(phenylmethyl)butanedioic acid	GTOFKXZQQDSVFH-UHFFFAOYSA-N
282	344.31	C12H24O11	CID: 3871	4-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]hexane-1,2,3,5,6-pentol	VQHSOMBJVWLPSR-UHFFFAOYSA-N
283	200.31	C12H24O2	CID: 3893	dodecanoic acid	POULHZVOKOAJMA-UHFFFAOYSA-N
284	280.44	C18H32O2	CID: 3931	octadeca-9,12-dienoic acid	OYHQOLUKZRVURQ-UHFFFAOYSA-N
285	216.18	C12H8O4	CID: 4114	9-methoxy-7-furo[3,2-g]chromenone	QXKHYNVANLEOEG-UHFFFAOYSA-N
286	103.11	C4H9NO2	CID: 4377	2-(methylamino)propanoic acid	GDFAOVXKHJXLEI-UHFFFAOYSA-N
287	108.09	C6H4O2	CID: 4650	1,4-benzoquinone	AZQWKYJCGOJGHM-UHFFFAOYSA-N
288	254.40	C16H30O2	CID: 4668	9-hexadecenoic acid	SECPZKHBENQXJG-UHFFFAOYSA-N
289	205.25	C9H19NO4	CID: 4678	2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide	SNPLKNRPJHDVJA-UHFFFAOYSA-N
290	274.26	C15H14O5	CID: 4788	3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone	VGEREEWJJVICBM-UHFFFAOYSA-N
291	244.24	C14H12O4	CID: 4813	5-[2-(3,4-dihydroxyphenyl)vinyl]benzene-1,3-diol	CDRPUGZCRXZLFL-UHFFFAOYSA-N
292	285.33	C17H19NO3	CID: 4840	5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)-1-penta-2,4-dienone	MXXWOMGUGJBKIW-UHFFFAOYSA-N
293	334.44	C20H30O4	CID: 4953	7-[2-(3-hydroxyoct-1-enyl)-5-oxo-1-cyclopent-3-enyl]-5-heptenoic acid	MYHXHCUNDDAEOZ-UHFFFAOYSA-N
294	110.11	C6H6O2	CID: 5054	benzene-1,3-diol	GHMLBKRAJCXXBS-UHFFFAOYSA-N
295	228.24	C14H12O3	CID: 5056	5-[2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol	LUKBXSAWLPMMSZ-UHFFFAOYSA-N
296	183.18	C7H5NO3S	CID: 5143	1,1-dioxo-1,2-benzothiazol-3-one	CVHZOJJKTDOEJC-UHFFFAOYSA-N
297	286.27	C13H18O7	CID: 5145	2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]tetrahydropyran-3,4,5-triol	NGFMICBWJRZIBI-UHFFFAOYSA-N
298	124.13	C7H8O2	CID: 5146	2-(hydroxymethyl)phenol	CQRYARSYNCAZFO-UHFFFAOYSA-N
299	246.30	C15H18O3	CID: 5156	3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione	XJHDMGJURBVLLE-UHFFFAOYSA-N
300	176.21	C10H12N2O	CID: 5202	3-(2-aminoethyl)-1H-indol-5-ol	QZAYGJVTTNCVMB-UHFFFAOYSA-N
301	284.47	C18H36O2	CID: 5281	stearic acid	QIQXTHQIDYTFRH-UHFFFAOYSA-N
302	288.42	C19H28O2	CID: 5408	17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one	MUMGGOZAMZWBJJ-UHFFFAOYSA-N
303	149.10	C4H7NO5	CID: 5425	2-amino-3-hydroxybutanedioic acid	YYLQUHNPNCGKJQ-UHFFFAOYSA-N
304	137.17	C8H11NO	CID: 5610	4-(2-aminoethyl)phenol	DZGWFCGJZKJUFP-UHFFFAOYSA-N
305	89.093	C3H7NO2	CID: 5641	carbamic acid ethyl ester	JOYRKODLDBILNP-UHFFFAOYSA-N
306	205.16	C10H7NO4	CID: 5699	8-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid	FBZONXHGGPHHIY-UHFFFAOYSA-N
307	346.46	C21H30O4	CID: 5753	(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one	OMFXVFTZEKFJBZ-HJTSIMOOSA-N
308	362.45	C21H30O5	CID: 5754	(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one	JYGXADMDTFJGBT-VWUMJDOOSA-N
309	288.38	C18H24O3	CID: 5756	(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol	PROQIPRRNZUXQM-ZXXIGWHRSA-N
310	272.38	C18H24O2	CID: 5757	(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol	VOXZDWNPVJITMN-ZBRFXRBCSA-N
311	166.20	C6H6N4S	CID: 5778	6-(methylthio)-7H-purine	UIJIQXGRFSPYQW-UHFFFAOYSA-N
312	182.17	C6H14O6	CID: 5780	(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol	FBPFZTCFMRRESA-JGWLITMVSA-N
313	176.12	C6H8O6	CID: 5785	(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-3-furanone	TYQCGQRIZGCHNB-JLAZNSOCSA-N
314	242.22	C10H14N2O5	CID: 5789	1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-methylpyrimidine-2,4-dione	IQFYYKKMVGJFEH-XLPZGREQSA-N
315	109.12	C6H7NO	CID: 5801	2-aminophenol	CDAWCLOXVUBKRW-UHFFFAOYSA-N
316	131.12	C5H9NO3	CID: 5810	(2S,4R)-4-hydroxy-2-pyrrolidinecarboxylic acid	PMMYEEVYMWASQN-DMTCNVIQSA-N
317	169.17	C8H11NO3	CID: 5814	4-[(1S)-2-amino-1-hydroxyethyl]benzene-1,2-diol	SFLSHLFXELFNJZ-MRVPVSSYSA-N
318	183.20	C9H13NO3	CID: 5816	4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol	UCTWMZQNUQWSLP-VIFPVBQESA-N
319	360.44	C21H28O5	CID: 5839	(8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carboxaldehyde	PQSUYGKTWSAVDQ-ZVIOFETBSA-N
320	121.15	C3H7NO2S	CID: 5862	(2R)-2-amino-3-mercaptopropanoic acid	XUJNEKJLAYXESH-REOHCLBHSA-N
321	270.36	C18H22O2	CID: 5870	(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one	DNXHEGUUPJUMQT-CBZIJGRNSA-N
322	290.44	C19H30O2	CID: 5879	(3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one	QGXBDMJGAMFCBF-HLUDHZFRSA-N
323	288.42	C19H28O2	CID: 5881	(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one	FMGSKLZLMKYGDP-USOAJAOKSA-N
324	223.26	C15H13NO	CID: 5897	N-(9H-fluoren-2-yl)acetamide	CZIHNRWJTSTCEX-UHFFFAOYSA-N
325	89.093	C3H7NO2	CID: 5950	(2S)-2-aminopropanoic acid	QNAYBMKLOCPYGJ-REOHCLBHSA-N
326	105.09	C3H7NO3	CID: 5951	(2S)-2-amino-3-hydroxypropanoic acid	MTCFGRXMJLQNBG-REOHCLBHSA-N
327	190.15	C9H6N2O3	CID: 5955	4-nitro-1-oxidoquinolin-1-ium	YHQDZJICGQWFHK-UHFFFAOYSA-N
328	133.10	C4H7NO4	CID: 5960	(2S)-2-aminobutanedioic acid	CKLJMWTZIZZHCS-REOHCLBHSA-N
329	146.14	C5H10N2O3	CID: 5961	(2S)-2,5-diamino-5-oxopentanoic acid	ZDXPYRJPNDTMRX-VKHMYHEASA-N
330	146.18	C6H14N2O2	CID: 5962	(2S)-2,6-diaminohexanoic acid	KDXKERNSBIXSRK-YFKPBYRVSA-N
331	180.15	C6H12O6	CID: 5984	(3S,4R,5R)-1,3,4,5,6-pentahydroxy-2-hexanone	BJHIKXHVCXFQLS-UYFOZJQFSA-N
332	342.29	C12H22O11	CID: 5988	(2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol	CZMRCDWAGMRECN-UGDNZRGBSA-N
333	314.46	C21H30O2	CID: 5994	(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one	RJKFOVLPORLFTN-LEKSSAKUSA-N
334	386.65	C27H46O	CID: 5997	(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	HVYWMOMLDIMFJA-DPAQBDIFSA-N
335	288.42	C19H28O2	CID: 6013	(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one	MUMGGOZAMZWBJJ-DYKIIFRCSA-N
336	268.22	C10H12N4O5	CID: 6021	9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3H-purin-6-one	UGQMRVRMYYASKQ-KQYNXXCUSA-N
337	244.20	C9H12N2O6	CID: 6029	1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione	DRTQHJPVMGBUCF-XVFCMESISA-N
338	324.18	C9H13N2O9P	CID: 6030	[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate	DJJCXFVJDGTHFX-XVFCMESISA-N
339	180.15	C6H12O6	CID: 6036	(3R,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol	WQZGKKKJIJFFOK-SVZMEOIVSA-N
340	145.15	C9H7NO	CID: 6038	1H-quinolin-2-one	LISFMEBWQUVKPJ-UHFFFAOYSA-N
341	197.18	C9H11NO4	CID: 6047	(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid	WTDRDQBEARUVNC-LURJTMIESA-N
342	225.28	C14H15N3	CID: 6053	N,N-dimethyl-4-phenylazoaniline	JCYPECIVGRXBMO-UHFFFAOYSA-N
343	122.16	C8H10O	CID: 6054	2-phenylethanol	WRMNZCZEMHIOCP-UHFFFAOYSA-N
344	181.18	C9H11NO3	CID: 6057	(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid	OUYCCCASQSFEME-QMMMGPOBSA-N
345	77.149	C2H7NS	CID: 6058	2-aminoethanethiol	UFULAYFCSOUIOV-UHFFFAOYSA-N
346	211.25	C11H17NO3	CID: 6082	2-amino-1-(2,5-dimethoxyphenyl)-1-propanol	WJAJPNHVVFWKKL-UHFFFAOYSA-N
347	172.20	C7H8O3S	CID: 6101	4-methylbenzenesulfonic acid	JOXIMZWYDAKGHI-UHFFFAOYSA-N
348	131.17	C6H13NO2	CID: 6106	(2S)-2-amino-4-methylpentanoic acid	ROHFNLRQFUQHCH-YFKPBYRVSA-N
349	206.32	C8H14O2S2	CID: 6112	5-[(3R)-3-dithiolanyl]pentanoic acid	AGBQKNBQESQNJD-SSDOTTSWSA-N
350	93.126	C6H7N	CID: 6115	aniline	PAYRUJLWNCNPSJ-UHFFFAOYSA-N
351	286.40	C19H26O2	CID: 6128	(8R,9S,10R,13S,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione	AEMFNILZOJDQLW-QAGGRKNESA-N
352	323.19	C9H14N3O8P	CID: 6131	[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate	IERHLVCPSMICTF-XVFCMESISA-N
353	149.21	C5H11NO2S	CID: 6137	(2S)-2-amino-4-(methylthio)butanoic acid	FFEARJCKVFRZRR-BYPYZUCNSA-N
354	182.17	C6H14O6	CID: 6251	(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol	FBPFZTCFMRRESA-KVTDHHQDSA-N
355	342.29	C12H22O11	CID: 6255	(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]tetrahydropyran-3,4,5-triol	GUBGYTABKSRVRQ-QUYVBRFLSA-N
356	132.16	C5H12N2O2	CID: 6262	(2S)-2,5-diaminopentanoic acid	AHLPHDHHMVZTML-BYPYZUCNSA-N
357	155.15	C6H9N3O2	CID: 6274	(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid	HNDVDQJCIGZPNO-YFKPBYRVSA-N
358	117.14	C5H11NO2	CID: 6287	(2S)-2-amino-3-methylbutanoic acid	KZSNJWFQEVHDMF-BYPYZUCNSA-N
359	119.11	C4H9NO3	CID: 6288	(2S,3R)-2-amino-3-hydroxybutanoic acid	AYFVYJQAPQTCCC-GBXIJSLDSA-N
360	240.21	C14H8O4	CID: 6293	1,2-dihydroxyanthracene-9,10-dione	RGCKGOZRHPZPFP-UHFFFAOYSA-N
361	204.22	C11H12N2O2	CID: 6305	(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid	QIVBCDIJIAJPQS-VIFPVBQESA-N
362	131.17	C6H13NO2	CID: 6306	(2S,3S)-2-amino-3-methylpentanoic acid	AGPKZVBTJJNPAG-WHFBIAKZSA-N
363	174.20	C6H14N4O2	CID: 6322	(2S)-2-amino-5-guanidinopentanoic acid	ODKSFYDXXFIFQN-BYPYZUCNSA-N
364	192.16	C7H12O6	CID: 6508	(3R,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid	AAWZDTNXLSGCEK-LNVDRNJUSA-N
365	219.23	C9H17NO5	CID: 6613	3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]propanoic acid	GHOKWGTUZJEAQD-ZETCQYMHSA-N
366	388.66	C27H48O	CID: 6665	(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol	QYIXCDOBOSTCEI-QCYZZNICSA-N
367	183.16	C8H9NO4	CID: 6723	3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acid	HXACOUQIXZGNBF-UHFFFAOYSA-N
368	182.17	C12H6O2	CID: 6724	acenaphthylene-1,2-dione	AFPRJLBZLPBTPZ-UHFFFAOYSA-N
369	132.15	C9H8O	CID: 6735	1-indanone	QNXSIUBBGPHDDE-UHFFFAOYSA-N
370	222.23	C12H14O4	CID: 6781	benzene-1,2-dicarboxylic acid diethyl ester	FLKPEMZONWLCSK-UHFFFAOYSA-N
371	283.24	C10H13N5O5	CID: 6802	2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3H-purin-6-one	NYHBQMYGNKIUIF-UUOKFMHZSA-N
372	363.22	C10H14N5O8P	CID: 6804	[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate	RQFCJASXJCIDSX-UUOKFMHZSA-N
373	188.17	C11H8O3	CID: 6844	1-hydroxy-2-naphthalenecarboxylic acid	SJJCQDRGABAVBB-UHFFFAOYSA-N
374	166.21	C13H10	CID: 6853	9H-fluorene	NIHNNTQXNPWCJQ-UHFFFAOYSA-N
375	167.20	C12H9N	CID: 6854	9H-carbazole	UJOBWOGCFQCDNV-UHFFFAOYSA-N
376	180.15	C6H12O6	CID: 6904	(3S,4R,5S)-1,3,4,5,6-pentahydroxy-2-hexanone	BJHIKXHVCXFQLS-OTWZMJIISA-N
377	152.14	C5H12O5	CID: 6912	(2S,4R)-pentane-1,2,3,4,5-pentol	HEBKCHPVOIAQTA-NGQZWQHPSA-N
378	112.08	C5H4O3	CID: 6919	2-furancarboxylic acid	SMNDYUVBFMFKNZ-UHFFFAOYSA-N
379	173.19	C6H7NO3S	CID: 6926	2-aminobenzenesulfonic acid	ZMCHBSMFKQYNKA-UHFFFAOYSA-N
380	150.21	C10H14O	CID: 6989	2-isopropyl-5-methylphenol	MGSRCZKZVOBKFT-UHFFFAOYSA-N
381	122.12	C7H6O2	CID: 6998	2-hydroxybenzaldehyde	SMQUZDBALVYZAC-UHFFFAOYSA-N
382	170.20	C12H10O	CID: 7017	2-phenylphenol	LLEMOWNGBBNAJR-UHFFFAOYSA-N
383	154.20	C12H10	CID: 7095	phenylbenzene	ZUOUZKKEUPVFJK-UHFFFAOYSA-N
384	173.16	C10H7NO2	CID: 7124	2-quinolinecarboxylic acid	LOAUVZALPPNFOQ-UHFFFAOYSA-N
385	177.15	C6H11NO5	CID: 7152	2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid	JYXGIOKAKDAARW-UHFFFAOYSA-N
386	167.20	C9H13NO2	CID: 7172	4-[1-hydroxy-2-(methylamino)ethyl]phenol	YRCWQPVGYLYSOX-UHFFFAOYSA-N
387	135.18	C7H5NS	CID: 7222	1,3-benzothiazole	IOJUPLGTWVMSFF-UHFFFAOYSA-N
388	358.29	C12H22O12	CID: 7314	(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]hexanoic acid	JYTUSYBCFIZPBE-AMTLMPIISA-N
389	129.11	C5H7NO3	CID: 7405	(2S)-5-oxo-2-pyrrolidinecarboxylic acid	ODHCTXKNWHHXJC-VKHMYHEASA-N
390	120.14	C8H8O	CID: 7410	1-phenylethanone	KWOLFJPFCHCOCG-UHFFFAOYSA-N
391	128.16	C7H12O2	CID: 7413	cyclohexanecarboxylic acid	NZNMSOFKMUBTKW-UHFFFAOYSA-N
392	138.12	C7H6O3	CID: 7420	3-hydroxybenzoic acid	IJFXRHURBJZNAO-UHFFFAOYSA-N
393	342.29	C12H22O11	CID: 7427	(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]tetrahydropyran-3,4,5-triol	HDTRYLNUVZCQOY-LIZSDCNHSA-N
394	184.14	C8H8O5	CID: 7428	3,4,5-trihydroxybenzoic acid methyl ester	FBSFWRHWHYMIOG-UHFFFAOYSA-N
395	150.21	C10H14O	CID: 7439	5-isopropenyl-2-methyl-1-cyclohex-2-enone	ULDHMXUKGWMISQ-UHFFFAOYSA-N
396	134.21	C10H14	CID: 7463	1-isopropyl-4-methylbenzene	HFPZCAJZSCWRBC-UHFFFAOYSA-N
397	136.19	C8H12N2	CID: 7472	N1,N1-dimethylbenzene-1,4-diamine	BZORFPDSXLZWJF-UHFFFAOYSA-N
398	152.14	C8H8O3	CID: 7478	4-methoxybenzoic acid	ZEYHEAKUIGZSGI-UHFFFAOYSA-N
399	166.13	C8H6O4	CID: 7489	terephthalic acid	KKEYFWRCBNTPAC-UHFFFAOYSA-N
400	107.15	C7H9N	CID: 7504	phenylmethanamine	WGQKYBSKWIADBV-UHFFFAOYSA-N
401	107.15	C7H9N	CID: 7515	N-methylaniline	AFBPFSWMIHJQDM-UHFFFAOYSA-N
402	179.23	C6H13NO3S	CID: 7533	cyclohexylsulfamic acid	HCAJEUSONLESMK-UHFFFAOYSA-N
403	162.18	C10H10O2	CID: 7644	3-phenyl-2-propenoic acid methyl ester	CCRCUPLGCSFEDV-UHFFFAOYSA-N
404	176.21	C11H12O2	CID: 7649	3-phenyl-2-propenoic acid ethyl ester	KBEBGUQPQBELIU-UHFFFAOYSA-N
405	135.16	C8H9NO	CID: 7680	2-phenylacetamide	LSBDFXRDZJMBSC-UHFFFAOYSA-N
406	130.22	C8H18O	CID: 7720	2-ethyl-1-hexanol	YIWUKEYIRIRTPP-UHFFFAOYSA-N
407	113.15	C6H11NO	CID: 7768	2-azepanone	JBKVHLHDHHXQEQ-UHFFFAOYSA-N
408	172.26	C10H20O2	CID: 7799	octanoic acid ethyl ester	YYZUSRORWSJGET-UHFFFAOYSA-N
409	228.37	C14H28O2	CID: 7800	dodecanoic acid ethyl ester	MMXKVMNBHPAILY-UHFFFAOYSA-N
410	102.09	C3H6N2O2	CID: 7911	propanediamide	WRIRWRKPLXCTFD-UHFFFAOYSA-N
411	103.08	C2H5N3O2	CID: 7913	carbamoylurea	OHJMTUPIZMNBFR-UHFFFAOYSA-N
412	99.174	C6H13N	CID: 7965	cyclohexanamine	PAFZNILMFXTMIY-UHFFFAOYSA-N
413	95.099	C5H5NO	CID: 7971	3-pyridinol	GRFNBEZIAWKNCO-UHFFFAOYSA-N
414	186.29	C11H22O2	CID: 8050	decanoic acid methyl ester	YRHYCMZPEVDGFQ-UHFFFAOYSA-N
415	86.089	C4H6O2	CID: 8066	2-butyne-1,4-diol	DLDJFQGPPSQZKI-UHFFFAOYSA-N
416	133.18	C6H15NO2	CID: 8086	1-(2-hydroxypropylamino)-2-propanol	LVTYICIALWPMFW-UHFFFAOYSA-N
417	158.23	C9H18O2	CID: 8091	octanoic acid methyl ester	JGHZJRVDZXSNKQ-UHFFFAOYSA-N
418	130.18	C7H14O2	CID: 8094	heptanoic acid	MNWFXJYAOYHMED-UHFFFAOYSA-N
419	214.34	C13H26O2	CID: 8139	dodecanoic acid methyl ester	UQDUPQYQJKYHQI-UHFFFAOYSA-N
420	158.23	C9H18O2	CID: 8158	nonanoic acid	FBUKVWPVBMHYJY-UHFFFAOYSA-N
421	158.28	C10H22O	CID: 8174	1-decanol	MWKFXSUHUHTGQN-UHFFFAOYSA-N
422	270.45	C17H34O2	CID: 8181	hexadecanoic acid methyl ester	FLIACVVOZYBSBS-UHFFFAOYSA-N
423	186.33	C12H26O	CID: 8193	1-dodecanol	LQZZUXJYWNFBMV-UHFFFAOYSA-N
424	298.50	C19H38O2	CID: 8201	octadecanoic acid methyl ester	HPEUJPJOZXNMSJ-UHFFFAOYSA-N
425	340.58	C22H44O2	CID: 8215	docosanoic acid	UKMSUNONTOPOIO-UHFFFAOYSA-N
426	270.49	C18H38O	CID: 8221	1-octadecanol	GLDOVTGHNKAZLK-UHFFFAOYSA-N
427	282.54	C20H42	CID: 8222	icosane	CBFCDTFDPHXCNY-UHFFFAOYSA-N
428	74.078	C3H6O2	CID: 8299	1-hydroxy-2-propanone	XLSMFKSTNGKWQX-UHFFFAOYSA-N
429	390.55	C24H38O4	CID: 8343	benzene-1,2-dicarboxylic acid bis(2-ethylhexyl) ester	BJQHLKABXJIVAM-UHFFFAOYSA-N
430	284.78	C6Cl6	CID: 8370	1,2,3,4,5,6-hexachlorobenzene	CKAPSXZOOQJIBF-UHFFFAOYSA-N
431	136.14	C8H8O2	CID: 8375	1-(2-hydroxyphenyl)ethanone	JECYUBVRTQDVAT-UHFFFAOYSA-N
432	212.24	C14H12O2	CID: 8400	2-hydroxy-1,2-di(phenyl)ethanone	ISAOCJYIOMOJEB-UHFFFAOYSA-N
433	150.13	C8H6O3	CID: 8406	2-formylbenzoic acid	DYNFCHNNOHNJFG-UHFFFAOYSA-N
434	166.17	C9H10O3	CID: 8419	3,4-dimethoxybenzaldehyde	WJUFSDZVCOTFON-UHFFFAOYSA-N
435	149.21	C8H7NS	CID: 8446	2-methyl-1,3-benzothiazole	DXYYSGDWQCSKKO-UHFFFAOYSA-N
436	168.14	C8H8O4	CID: 8468	4-hydroxy-3-methoxybenzoic acid	WKOLLVMJNQIZCI-UHFFFAOYSA-N
437	224.21	C14H8O3	CID: 8512	1-hydroxyanthracene-9,10-dione	BTLXPCBPYBNQNR-UHFFFAOYSA-N
438	348.20	C10H13N4O8P	CID: 8582	[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate	GRSZFWQUAKGDAV-KQYNXXCUSA-N
439	144.21	C8H16O2	CID: 8697	2-ethylhexanoic acid	OBETXYAYXDNJHR-UHFFFAOYSA-N
440	174.15	C7H10O5	CID: 8742	(3R,4S,5R)-3,4,5-trihydroxy-1-cyclohexenecarboxylic acid	JXOHGGNKMLTUBP-HSUXUTPPSA-N
441	148.15	C9H8O2	CID: 8784	3-phenyl-2-propenoic acid	WBYWAXJHAXSJNI-UHFFFAOYSA-N
442	152.23	C10H16O	CID: 8843	3,7-dimethylocta-2,6-dienal	WTEVQBCEXWBHNA-UHFFFAOYSA-N
443	95.099	C5H5NO	CID: 8871	1H-pyridin-2-one	UBQKCCHYAOITMY-UHFFFAOYSA-N
444	116.15	C6H12O2	CID: 8892	hexanoic acid	FUZZWVXGSFPDMH-UHFFFAOYSA-N
445	133.10	C4H7NO4	CID: 8897	2-(carboxymethylamino)acetic acid	NBZBKCUXIYYUSX-UHFFFAOYSA-N
446	144.25	C9H20O	CID: 8914	1-nonanol	ZWRUINPWMLAQRD-UHFFFAOYSA-N
447	346.46	C21H30O4	CID: 9050	(17R)-17-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one	WHBHBVVOGNECLV-VLAJLFEZSA-N
448	290.26	C15H14O6	CID: 9064	(2R,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol	PFTAWBLQPZVEMU-DZGCQCFKSA-N
449	292.45	C19H32O2	CID: 9316	octadeca-9,12,15-trienoic acid methyl ester	DVWSXZIHSUZZKJ-UHFFFAOYSA-N
450	182.17	C9H10O4	CID: 9378	2-hydroxy-3-(4-hydroxyphenyl)propanoic acid	JVGVDSSUAVXRDY-UHFFFAOYSA-N
451	275.19	C10H14NO6P	CID: 9395	phosphoric acid diethyl (4-nitrophenyl) ester	WYMSBXTXOHUIGT-UHFFFAOYSA-N
452	131.17	C6H13NO2	CID: 9475	2-aminohexanoic acid	LRQKBLKVPFOOQJ-UHFFFAOYSA-N
453	354.30	C16H18O9	CID: 9476	(1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)-1-oxoallyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid	CWVRJTMFETXNAD-NCZKRNLISA-N
454	126.11	C4H6N4O	CID: 9679	4-amino-1H-imidazole-5-carboxamide	DVNYTAVYBRSTGK-UHFFFAOYSA-N
455	444.73	C30H52O2	CID: 9698	2,5,7,8-tetramethyl-2-(5,9,13-trimethyltetradecyl)-6-chromanol	MGVUEHOYGMMEJV-UHFFFAOYSA-N
456	322.20	C10H15N2O8P	CID: 9700	[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate	GYOZYWVXFNDGLU-XLPZGREQSA-N
457	175.18	C6H13N3O3	CID: 9750	(2S)-2-amino-5-ureidopentanoic acid	RHGKLRLOHDJJDR-BYPYZUCNSA-N
458	300.39	C19H24O3	CID: 9791	10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione	RZRPTBIGEANTGU-UHFFFAOYSA-N
459	124.13	C7H8O2	CID: 9958	4-methylbenzene-1,2-diol	ZBCATMYQYDCTIZ-UHFFFAOYSA-N
460	178.18	C10H10O3	CID: 9984	3-(4-hydroxy-3-methoxyphenyl)-2-propenal	DKZBBWMURDFHNE-UHFFFAOYSA-N
461	88.065	C2H4N2O2	CID: 10113	oxamide	YIKSCQDJHCMVMK-UHFFFAOYSA-N
462	194.22	C14H10O	CID: 10229	9-phenanthrenol	DZKIUEHLEXLYKM-UHFFFAOYSA-N
463	180.20	C13H8O	CID: 10241	9-fluorenone	YLQWCDOCJODRMT-UHFFFAOYSA-N
464	173.16	C10H7NO2	CID: 10243	4-quinolinecarboxylic acid	VQMSRUREDGBWKT-UHFFFAOYSA-N
465	164.12	C6H4N4O2	CID: 10250	1H-pteridine-2,4-dione	UYEUUXMDVNYCAM-UHFFFAOYSA-N
466	224.25	C15H12O2	CID: 10251	2-phenyl-4-chromanone	ZONYXWQDUYMKFB-UHFFFAOYSA-N
467	195.17	C9H9NO4	CID: 10253	2-[[(2-hydroxyphenyl)-oxomethyl]amino]acetic acid	ONJSZLXSECQROL-UHFFFAOYSA-N
468	167.11	C7H5NO4	CID: 10367	pyridine-2,6-dicarboxylic acid	WJJMNDUMQPNECX-UHFFFAOYSA-N
469	138.16	C8H10O2	CID: 10393	4-(2-hydroxyethyl)phenol	YCCILVSKPBXVIP-UHFFFAOYSA-N
470	166.17	C9H10O3	CID: 10394	3-(4-hydroxyphenyl)propanoic acid	NMHMNPHRMNGLLB-UHFFFAOYSA-N
471	130.14	C6H10O3	CID: 10428	4-hydroxy-4-methyl-2-tetrahydropyranone	JYVXNLLUYHCIIH-UHFFFAOYSA-N
472	112.12	C6H8O2	CID: 10434	cyclohexane-1,3-dione	HJSLFCCWAKVHIW-UHFFFAOYSA-N
473	124.13	C7H8O2	CID: 10436	5-methylbenzene-1,3-diol	OIPPWFOQEKKFEE-UHFFFAOYSA-N
474	270.45	C17H34O2	CID: 10465	heptadecanoic acid	KEMQGTRYUADPNZ-UHFFFAOYSA-N
475	312.53	C20H40O2	CID: 10467	icosanoic acid	VKOBVWXKNCXXDE-UHFFFAOYSA-N
476	396.68	C26H52O2	CID: 10469	hexacosanoic acid	XMHIUKTWLZUKEX-UHFFFAOYSA-N
477	302.45	C20H30O2	CID: 10569	(1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid	RSWGJHLUYNHPMX-ONCXSQPRSA-N
478	364.47	C21H32O5	CID: 10592	(17R)-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one	ACSFOIGNUQUIGE-JYJHGPBPSA-N
479	290.44	C19H30O2	CID: 10635	(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one	NVKAWKQGWWIWPM-ABEVXSGRSA-N
480	222.23	C15H10O2	CID: 10680	2-phenyl-1-benzopyran-4-one	VHBFFQKBGNRLFZ-UHFFFAOYSA-N
481	161.20	C10H11NO	CID: 10685	2-(1H-indol-3-yl)ethanol	MBBOMCVGYCRMEA-UHFFFAOYSA-N
482	196.15	C6H12O7	CID: 10690	(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid	RGHNJXZEOKUKBD-SQOUGZDYSA-N
483	342.29	C12H22O11	CID: 10712	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]tetrahydropyran-3,4,5-triol	GUBGYTABKSRVRQ-QRZGKKJRSA-N
484	166.17	C9H10O3	CID: 10726	3-hydroxy-2-phenylpropanoic acid	JACRWUWPXAESPB-UHFFFAOYSA-N
485	179.13	C6H5N5O2	CID: 10729	2-amino-1,8-dihydropteridine-4,7-dione	GLKCOBIIZKYKFN-UHFFFAOYSA-N
486	198.17	C9H10O5	CID: 10742	4-hydroxy-3,5-dimethoxybenzoic acid	JMSVCTWVEWCHDZ-UHFFFAOYSA-N
487	133.14	C8H7NO	CID: 10758	2-hydroxy-2-phenylacetonitrile	NNICRUQPODTGRU-UHFFFAOYSA-N
488	126.11	C6H6O3	CID: 10787	benzene-1,2,4-triol	GGNQRNBDZQJCCN-UHFFFAOYSA-N
489	164.20	C10H12O2	CID: 10820	4-isopropylbenzoic acid	CKMXAIVXVKGGFM-UHFFFAOYSA-N
490	162.20	C7H16NO3	CID: 10918	[(2R)-2,4-dihydroxy-4-oxobutyl]-trimethylammonium	PHIQHXFUZVPYII-ZCFIWIBFSA-O
491	97.072	C4H3NO2	CID: 10935	pyrrole-2,5-dione	PEEHTFAAVSWFBL-UHFFFAOYSA-N
492	228.37	C14H28O2	CID: 11005	tetradecanoic acid	TUNFSRHWOTWDNC-UHFFFAOYSA-N
493	226.44	C16H34	CID: 11006	hexadecane	DCAYPVUWAIABOU-UHFFFAOYSA-N
494	216.25	C8H12N2O3S	CID: 11082	(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid	NGHVIOIJCVXTGV-ALEPSDHESA-N
495	115.08	C4H5NO3	CID: 11187	4-amino-4-oxo-2-butenoic acid	FSQQTNAZHBEJLS-UHFFFAOYSA-N
496	368.63	C24H48O2	CID: 11197	tetracosanoic acid	QZZGJDVWLFXDLK-UHFFFAOYSA-N
497	104.10	C4H8O3	CID: 11266	2-hydroxybutanoic acid	AFENDNXGAFYKQO-UHFFFAOYSA-N
498	189.16	C10H7NO3	CID: 11321	1-acetylindoline-2,3-dione	LPGDEHBASRKTDG-UHFFFAOYSA-N
499	342.29	C12H22O11	CID: 11333	(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)-3-tetrahydrofuranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol	JCQLYHFGKNRPGE-FCVZTGTOSA-N
500	238.23	C15H10O3	CID: 11349	3-hydroxy-2-phenyl-1-benzopyran-4-one	HVQAJTFOCKOKIN-UHFFFAOYSA-N
501	122.16	C8H10O	CID: 11476	(3-methylphenyl)methanol	JJCKHVUTVOPLBV-UHFFFAOYSA-N
502	122.16	C8H10O	CID: 11505	(4-methylphenyl)methanol	KMTDMTZBNYGUNX-UHFFFAOYSA-N
503	130.22	C8H18O	CID: 11527	3-octanol	NMRPBPVERJPACX-UHFFFAOYSA-N
504	380.73	C27H56	CID: 11636	heptacosane	BJQWYEJQWHSSCJ-UHFFFAOYSA-N
505	146.14	C6H10O4	CID: 11701	2,2-dimethylbutanedioic acid	GOHPTLYPQCTZSE-UHFFFAOYSA-N
506	251.90	C6H4Br2O	CID: 11847	2,6-dibromophenol	SSIZLKDLDKIHEV-UHFFFAOYSA-N
507	146.14	C6H10O4	CID: 11848	2,3-dimethylbutanedioic acid	KLZYRCVPDWTZLH-UHFFFAOYSA-N
508	150.13	C8H6O3	CID: 11915	2-oxo-2-phenylacetic acid	FAQJJMHZNSSFSM-UHFFFAOYSA-N
509	152.14	C8H8O3	CID: 11970	2-(2-hydroxyphenyl)acetic acid	CCVYRRGZDBSHFU-UHFFFAOYSA-N
510	132.15	C9H8O	CID: 11983	2-indanone	UMJJFEIKYGFCAT-UHFFFAOYSA-N
511	251.90	C6H4Br2O	CID: 12005	2,4-dibromophenol	FAXWFCTVSHEODL-UHFFFAOYSA-N
512	163.19	C5H9NO3S	CID: 12035	(2R)-2-acetamido-3-mercaptopropanoic acid	PWKSKIMOESPYIA-BYPYZUCNSA-N
513	146.14	C6H10O4	CID: 12046	2-methylpentanedioic acid	AQYCMVICBNBXNA-UHFFFAOYSA-N
514	152.14	C8H8O3	CID: 12122	2-(3-hydroxyphenyl)acetic acid	FVMDYYGIDFPZAX-UHFFFAOYSA-N
515	146.14	C6H10O4	CID: 12284	3-methylpentanedioic acid	XJMMNTGIMDZPMU-UHFFFAOYSA-N
516	95.099	C5H5NO	CID: 12290	1H-pyridin-4-one	GCNTZFIIOFTKIY-UHFFFAOYSA-N
517	144.17	C6H12N2O2	CID: 12364	hexanediamide	GVNWZKBFMFUVNX-UHFFFAOYSA-N
518	224.42	C16H32	CID: 12395	1-hexadecene	GQEZCXVZFLOKMC-UHFFFAOYSA-N
519	466.82	C31H62O2	CID: 12400	triacontanoic acid methyl ester	BIRUBGLRQLAEFF-UHFFFAOYSA-N
520	408.78	C29H60	CID: 12409	nonacosane	IGGUPRCHHJZPBS-UHFFFAOYSA-N
521	111.09	C5H5NO2	CID: 12473	1H-pyrrole-2-carboxylic acid	WRHZVMBBRYBTKZ-UHFFFAOYSA-N
522	112.12	C6H8O2	CID: 12511	cyclohexane-1,4-dione	DCZFGQYXRKMVFG-UHFFFAOYSA-N
523	338.65	C24H50	CID: 12592	tetracosane	POOSGDOYLQNASK-UHFFFAOYSA-N
524	119.11	C4H9NO3	CID: 12647	(2S)-2-amino-4-hydroxybutanoic acid	UKAUYVFTDYCKQA-VKHMYHEASA-N
525	126.11	C6H6O3	CID: 12663	2-hydroxy-6-methyl-4-pyranone	OOKCZXGEYPSNIM-UHFFFAOYSA-N
526	99.131	C5H9NO	CID: 12665	2-piperidinone	XUWHAWMETYGRKB-UHFFFAOYSA-N
527	174.09	C6H7O4P	CID: 12793	phenyl dihydrogen phosphate	CMPQUABWPXYYSH-UHFFFAOYSA-N
528	112.12	C6H8O2	CID: 13006	cyclohexane-1,2-dione	OILAIQUEIWYQPH-UHFFFAOYSA-N
529	127.18	C7H13NO	CID: 13017	N-cyclohexylformamide	SWGXDLRCJNEEGZ-UHFFFAOYSA-N
530	112.02	CH5O4P	CID: 13130	methyl dihydrogen phosphate	CAAULPUQFIIOTL-UHFFFAOYSA-N
531	114.10	C4H6N2O2	CID: 13538	2-amino-3-cyanopropanoic acid	BXRLWGXPSRYJDZ-UHFFFAOYSA-N
532	354.61	C23H46O2	CID: 13584	docosanoic acid methyl ester	QSQLTHHMFHEFIY-UHFFFAOYSA-N
533	116.15	C6H12O2	CID: 13601	cyclohexane-1,2-diol	PFURGBBHAOXLIO-UHFFFAOYSA-N
534	228.20	C9H12N2O5	CID: 13712	1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione	MXHRCPNRJAMMIM-SHYZEUOFSA-N
535	251.24	C10H13N5O3	CID: 13730	(2R,3S,5R)-5-(6-amino-9-purinyl)-2-(hydroxymethyl)-3-tetrahydrofuranol	OLXZPDWKRNYJJZ-RRKCRQDMSA-N
536	242.39	C15H30O2	CID: 13849	pentadecanoic acid	WQEPLUUGTLDZJY-UHFFFAOYSA-N
537	307.19	C9H14N3O7P	CID: 13945	[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate	NCMVOABPESMRCP-SHYZEUOFSA-N
538	326.55	C21H42O2	CID: 14259	icosanoic acid methyl ester	QGBRLVONZXHAKJ-UHFFFAOYSA-N
539	209.19	C10H11NO4	CID: 14349	2-[[oxo(phenylmethoxy)methyl]amino]acetic acid	CJUMAFVKTCBCJK-UHFFFAOYSA-N
540	132.15	C6H12O3	CID: 14490	6-hydroxyhexanoic acid	IWHLYPDWHHPVAA-UHFFFAOYSA-N
541	330.50	C19H38O4	CID: 14900	hexadecanoic acid 2,3-dihydroxypropyl ester	QHZLMUACJMDIAE-UHFFFAOYSA-N
542	172.26	C10H20O2	CID: 15606	nonanoic acid methyl ester	IJXHLVMUNBOGRR-UHFFFAOYSA-N
543	284.47	C18H36O2	CID: 15609	heptadecanoic acid methyl ester	HUEBIMLTDXKIPR-UHFFFAOYSA-N
544	244.37	C14H28O3	CID: 16064	3-hydroxytetradecanoic acid	ATRNZOYKSNPPBF-UHFFFAOYSA-N
545	197.23	C8H15N5O	CID: 16553	2-(ethylamino)-6-(isopropylamino)-1H-1,3,5-triazin-4-one	NFMIMWNQWAWNDW-UHFFFAOYSA-N
546	164.15	C6H12O5	CID: 17106	(3S,4R,5S,6S)-6-methyltetrahydropyran-2,3,4,5-tetrol	SHZGCJCMOBCMKK-DHVFOXMCSA-N
547	149.21	C8H7NS	CID: 18170	thiocyanic acid phenylmethyl ester	ABNDFSOIUFLJAH-UHFFFAOYSA-N
548	145.15	C6H11NO3	CID: 18189	4-acetamidobutanoic acid	UZTFMUBKZQVKLK-UHFFFAOYSA-N
549	106.12	C4H10O3	CID: 18302	butane-1,2,4-triol	ARXKVVRQIIOZGF-UHFFFAOYSA-N
550	130.14	C6H10O3	CID: 18407	5-oxohexanoic acid	MGTZCLMLSSAXLD-UHFFFAOYSA-N
551	180.15	C6H12O6	CID: 18950	(3S,4S,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol	WQZGKKKJIJFFOK-QTVWNMPRSA-N
552	205.20	C11H11NO3	CID: 18986	2-(5-methoxy-1H-indol-3-yl)acetic acid	COCNDHOPIHDTHK-UHFFFAOYSA-N
553	154.25	C4H10O2S2	CID: 19001	1,4-dimercaptobutane-2,3-diol	VHJLVAABSRFDPM-UHFFFAOYSA-N
554	464.63	C27H44O6	CID: 19212	(2S,3R,5R,9R,10R,13R,14S,17R)-17-[(1S,2R)-2,5-dihydroxy-1,5-dimethylhexyl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one	UPEZCKBFRMILAV-JMZLNJERSA-N
555	290.44	C19H30O2	CID: 19274	(3S,8S,9S,10R,13R,14S,16R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol	CVCDJRPXEWJAAY-UVSUZTNJSA-N
556	182.17	C9H10O4	CID: 19844	4-hydroxy-3-methoxybenzoic acid methyl ester	BVWTXUYLKBHMOX-UHFFFAOYSA-N
557	278.34	C16H22O4	CID: 20393	2-[2-ethylhexoxy(oxo)methyl]benzoic acid	DJDSLBVSSOQSLW-UHFFFAOYSA-N
558	131.17	C6H13NO2	CID: 21236	(2S)-2-aminohexanoic acid	LRQKBLKVPFOOQJ-YFKPBYRVSA-N
559	410.71	C27H54O2	CID: 22048	hexacosanoic acid methyl ester	VHUJBYYFFWDLNM-UHFFFAOYSA-N
560	134.17	C9H10O	CID: 22819	1-indanol	YIAPLDFPUUJILH-UHFFFAOYSA-N
561	179.17	C6H13NO5	CID: 24154	(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)tetrahydropyran-2,4,5-triol	MSWZFWKMSRAUBD-GASJEMHNSA-N
562	358.55	C21H42O4	CID: 24699	octadecanoic acid 2,3-dihydroxypropyl ester	VBICKXHEKHSIBG-UHFFFAOYSA-N
563	180.15	C6H12O6	CID: 24749	2,3,4,5,6-pentahydroxyhexanal	GZCGUPFRVQAUEE-UHFFFAOYSA-N
564	580.53	C27H32O14	CID: 25075	7-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-chromanone	DFPMSGMNTNDNHN-JJLSSNRUSA-N
565	226.18	C7H14O8	CID: 25588	(2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid	KWMLJOLKUYYJFJ-VFUOTHLCSA-N
566	154.24	C10H18O	CID: 26447	(2S,5R)-2-isopropyl-5-methylcyclohexanone	NFLGAXVYCFJBMK-BDAKNGLRSA-N
567	478.91	C34H70	CID: 26519	tetratriacontane	GWVDBZWVFGFBCN-UHFFFAOYSA-N
568	133.14	C8H7NO	CID: 26548	2-(4-hydroxyphenyl)acetonitrile	AYKYOOPFBCOXSL-UHFFFAOYSA-N
569	312.53	C20H40O2	CID: 26840	3,7,11,15-tetramethylhexadecanoic acid	RLCKHJSFHOZMDR-UHFFFAOYSA-N
570	281.26	C11H15N5O4	CID: 27476	(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-1-methyl-9-purinyl)tetrahydrofuran-3,4-diol	GFYLSDSUCHVORB-IOSLPCCCSA-N
571	111.09	C5H5NO2	CID: 28115	3-hydroxy-1H-pyridin-2-one	GGOZGYRTNQBSSA-UHFFFAOYSA-N
572	136.23	C10H16	CID: 31253	7-methyl-3-methyleneocta-1,6-diene	UAHWPYUMFXYFJY-UHFFFAOYSA-N
573	242.39	C15H30O2	CID: 31284	tetradecanoic acid methyl ester	ZAZKJZBWRNNLDS-UHFFFAOYSA-N
574	220.35	C15H24O	CID: 31404	2,6-ditert-butyl-4-methylphenol	NLZUEZXRPGMBCV-UHFFFAOYSA-N
575	138.05	C3H7O4P	CID: 31669	[(3S)-3-methyl-2-oxiranyl]phosphonic acid	YMDXZJFXQJVXBF-SCQFTWEKSA-N
576	292.45	C19H32O2	CID: 32801	(8R,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol	CBMYJHIOYJEBSB-CAHXEBCQSA-N
577	147.12	C5H9NO4	CID: 33032	(2S)-2-aminopentanedioic acid	WHUUTDBJXJRKMK-VKHMYHEASA-N
578	210.13	C6H10O8	CID: 33037	(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid	DSLZVSRJTYRBFB-LLEIAEIESA-N
579	221.20	C8H15NO6	CID: 35717	N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]acetamide	OVRNDRQMDRJTHS-KEWYIRBNSA-N
580	167.16	C8H9NO3	CID: 36143	(2S)-2-amino-2-(4-hydroxyphenyl)acetic acid	LJCWONGJFPCTTL-ZETCQYMHSA-N
581	154.24	C10H18O	CID: 37894	2-isopropenyl-2-methylcyclohexanol	WRXDJPNAQJMNGJ-UHFFFAOYSA-N
582	347.22	C10H14N5O7P	CID: 41211	[(2R,3S,4R,5R)-5-(6-amino-9-purinyl)-4-hydroxy-2-(hydroxymethyl)-3-tetrahydrofuranyl] dihydrogen phosphate	LNQVTSROQXJCDD-KQYNXXCUSA-N
583	438.76	C29H58O2	CID: 41518	octacosanoic acid methyl ester	ZKHOYAKAFALNQD-UHFFFAOYSA-N
584	166.17	C6H14O5	CID: 42953	3-(2,3-dihydroxypropoxy)propane-1,2-diol	GPLRAVKSCUXZTP-UHFFFAOYSA-N
585	267.24	C10H13N5O4	CID: 60961	(2R,3R,4S,5R)-2-(6-amino-9-purinyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol	OIRDTQYFTABQOQ-KQYNXXCUSA-N
586	144.21	C7H16N2O	CID: 61055	3-morpholino-1-propanamine	UIKUBYKUYUSRSM-UHFFFAOYSA-N
587	154.16	C8H10O3	CID: 62348	4-(hydroxymethyl)-2-methoxyphenol	ZENOXNGFMSCLLL-UHFFFAOYSA-N
588	224.29	C13H20O3	CID: 62388	2-(3-oxo-2-pent-2-enylcyclopentyl)acetic acid methyl ester	GEWDNTWNSAZUDX-UHFFFAOYSA-N
589	120.14	C8H8O	CID: 62453	4-vinylphenol	FUGYGGDSWSUORM-UHFFFAOYSA-N
590	146.14	C8H6N2O	CID: 63112	1H-quinazolin-4-one	QMNUDYFKZYBWQX-UHFFFAOYSA-N
591	103.11	C4H9NO2	CID: 64956	3-amino-2-methylpropanoic acid	QCHPKSFMDHPSNR-UHFFFAOYSA-N
592	164.15	C6H12O5	CID: 64960	(2R,3S,4R,5S)-2-(hydroxymethyl)tetrahydropyran-3,4,5-triol	MPCAJMNYNOGXPB-SLPGGIOYSA-N
593	169.18	C7H11N3O2	CID: 64969	(2S)-2-amino-3-(3-methyl-4-imidazolyl)propanoic acid	JDHILDINMRGULE-LURJTMIESA-N
594	458.37	C22H18O11	CID: 65064	3,4,5-trihydroxybenzoic acid [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-chromanyl] ester	WMBWREPUVVBILR-WIYYLYMNSA-N
595	175.13	C6H9NO5	CID: 65065	(2S)-2-acetamidobutanedioic acid	OTCCIMWXFLJLIA-BYPYZUCNSA-N
596	256.25	C12H16O6	CID: 65080	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(phenoxy)tetrahydropyran-3,4,5-triol	NEZJDVYDSZTRFS-RMPHRYRLSA-N
597	467.15	C9H16N3O13P3	CID: 65091	[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate	RGWHQCVHVJXOKC-SHYZEUOFSA-N
598	133.14	C5H11NO3	CID: 65097	2-amino-3-hydroxypentanoic acid	LGVJIYCMHMKTPB-UHFFFAOYSA-N
599	117.14	C5H11NO2	CID: 65098	(2S)-2-aminopentanoic acid	SNDPXSYFESPGGJ-BYPYZUCNSA-N
600	178.21	C5H10N2O3S	CID: 65270	2-[(2-amino-3-mercapto-1-oxopropyl)amino]acetic acid	ZUKPVRWZDMRIEO-UHFFFAOYSA-N
601	260.13	C6H13O9P	CID: 65533	[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl] dihydrogen phosphate	HXXFSFRBOHSIMQ-VFUOTHLCSA-N
602	302.40	C19H26O3	CID: 65542	(7R,8R,9S,10R,13S,14S)-7-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione	LFWLQMQUJQUZBD-TYHLISGHSA-N
603	150.12	C5H10O5	CID: 65550	(2S,3S,4R)-2,3,4,5-tetrahydroxypentanal	PYMYPHUHKUWMLA-UOWFLXDJSA-N
604	350.49	C21H34O4	CID: 65553	1-[(3R,5R,8S,9S,10S,11S,13S,14S,17S)-3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone	RHQQHZQUAMFINJ-DTDWNVJFSA-N
605	362.45	C21H30O5	CID: 65554	(5R,8S,9S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,11-dione	YCLWEYIBFOLMEM-FNLRALKVSA-N
606	159.22	C8H17NO2	CID: 66085	8-aminooctanoic acid	UQXNEWQGGVUVQA-UHFFFAOYSA-N
607	150.12	C5H10O5	CID: 66308	(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal	PYMYPHUHKUWMLA-WDCZJNDASA-N
608	310.35	C20H14N4	CID: 66868	21,22-dihydroporphyrin	JZRYQZJSTWVBBD-UHFFFAOYSA-N
609	151.16	C8H9NO2	CID: 67069	2-(methylamino)benzoic acid	WVMBPWMAQDVZCM-UHFFFAOYSA-N
610	240.30	C6H12N2O4S2	CID: 67678	(2R)-2-amino-3-[(2R)-2-amino-3-hydroxy-3-oxopropyl]disulfanylpropanoic acid	LEVWYRKDKASIDU-IMJSIDKUSA-N
611	131.13	C4H9N3O2	CID: 67701	3-guanidinopropanoic acid	KMXXSJLYVJEBHI-UHFFFAOYSA-N
612	193.19	C10H11NO3	CID: 68144	2-[(1-oxo-2-phenylethyl)amino]acetic acid	UTYVDVLMYQPLQB-UHFFFAOYSA-N
613	220.35	C15H24O	CID: 68150	3,7,11-trimethyldodeca-2,6,10-trienal	YHRUHBBTQZKMEX-UHFFFAOYSA-N
614	90.077	C3H6O3	CID: 68152	3-hydroxypropanoic acid	ALRHLSYJTWAHJZ-UHFFFAOYSA-N
615	252.22	C10H12N4O4	CID: 68368	(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(9-purinyl)tetrahydrofuran-3,4-diol	MRWXACSTFXYYMV-FDDDBJFASA-N
616	136.14	C8H8O2	CID: 68490	2-hydroxy-1-phenylethanone	ZWVHTXAYIKBMEE-UHFFFAOYSA-N
617	180.16	C8H8N2O3	CID: 68499	2-[[oxo(3-pyridyl)methyl]amino]acetic acid	ZBSGKPYXQINNGF-UHFFFAOYSA-N
618	272.38	C18H24O2	CID: 68570	(8R,9S,13S,14S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol	VOXZDWNPVJITMN-SFFUCWETSA-N
619	185.07	C3H8NO6P	CID: 68841	(2S)-2-amino-3-phosphonooxypropanoic acid	BZQFBWGGLXLEPQ-REOHCLBHSA-N
620	139.10	C6H5NO3	CID: 69114	2-oxo-1H-pyridine-3-carboxylic acid	UEYQJQVBUVAELZ-UHFFFAOYSA-N
621	145.15	C9H7NO	CID: 69141	1H-quinolin-4-one	PMZDQRJGMBOQBF-UHFFFAOYSA-N
622	114.10	C4H6N2O2	CID: 69217	1-methylimidazolidine-2,4-dione	RHYBFKMFHLPQPH-UHFFFAOYSA-N
623	89.093	C3H7NO2	CID: 69221	2-aminoacetic acid methyl ester	KQSSATDQUYCRGS-UHFFFAOYSA-N
624	268.35	C8H16N2O4S2	CID: 69382	(2S)-2-amino-4-(3-amino-4-hydroxy-4-oxobutyl)disulfanylbutanoic acid	ZTVZLYBCZNMWCF-ZBHICJROSA-N
625	260.13	C6H13O9P	CID: 69507	[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] dihydrogen phosphate	GSXOAOHZAIYLCY-HSUXUTPPSA-N
626	153.18	C7H11N3O	CID: 69602	N-[2-(1H-imidazol-5-yl)ethyl]acetamide	XJWPISBUKWZALE-UHFFFAOYSA-N
627	161.15	C9H7NO2	CID: 69867	1H-indole-3-carboxylic acid	KMAKOBLIOCQGJP-UHFFFAOYSA-N
628	195.21	C10H13NO3	CID: 70652	(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid methyl ester	MWZPENIJLUWBSY-VIFPVBQESA-N
629	173.20	C8H15NO3	CID: 70912	(2S)-2-acetamido-4-methylpentanoic acid	WXNXCEHXYPACJF-ZETCQYMHSA-N
630	189.16	C7H11NO5	CID: 70914	(2S)-2-acetamidopentanedioic acid	RFMMMVDNIPUKGG-YFKPBYRVSA-N
631	138.12	C7H6O3	CID: 70949	2,5-dihydroxybenzaldehyde	CLFRCXCBWIQVRN-UHFFFAOYSA-N
632	290.26	C15H14O6	CID: 72276	(2R,3R)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol	PFTAWBLQPZVEMU-UKRRQHHQSA-N
633	306.26	C15H14O7	CID: 72277	(2R,3R)-2-(3,4,5-trihydroxyphenyl)chromane-3,5,7-triol	XMOCLSLCDHWDHP-IUODEOHRSA-N
634	169.15	C3H7NO5S	CID: 72886	(2R)-2-amino-3-sulfopropanoic acid	XVOYSCVBGLVSOL-REOHCLBHSA-N
635	139.10	C6H5NO3	CID: 72924	6-oxo-1H-pyridine-3-carboxylic acid	BLHCMGRVFXRYRN-UHFFFAOYSA-N
636	147.12	C5H9NO4	CID: 73064	3-aminopentanedioic acid	BBJIPMIXTXKYLZ-UHFFFAOYSA-N
637	290.26	C15H14O6	CID: 73160	(2S,3R)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol	PFTAWBLQPZVEMU-HIFRSBDPSA-N
638	195.17	C6H13NO6	CID: 73563	(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoic acid	UFYKDFXCZBTLOO-TXICZTDVSA-N
639	188.26	C10H20O3	CID: 74300	10-hydroxydecanoic acid	YJCJVMMDTBEITC-UHFFFAOYSA-N
640	182.21	C13H10O	CID: 74318	9H-fluoren-9-ol	AFMVESZOYKHDBJ-UHFFFAOYSA-N
641	116.11	C5H8O3	CID: 74563	2-oxopentanoic acid	KDVFRMMRZOCFLS-UHFFFAOYSA-N
642	207.22	C11H13NO3	CID: 74839	(2S)-2-acetamido-3-phenylpropanoic acid	CBQJSKKFNMDLON-JTQLQIEISA-N
643	265.30	C14H19NO4	CID: 74840	(2S)-4-methyl-2-[[oxo(phenylmethoxy)methyl]amino]pentanoic acid	USPFMEKVPDBMCG-LBPRGKRZSA-N
644	382.66	C25H50O2	CID: 75546	tetracosanoic acid methyl ester	XUDJZDNUVZHSKZ-UHFFFAOYSA-N
645	144.12	C6H8O4	CID: 75748	2-allylpropanedioic acid	ZDZVKPXKLLLOOA-UHFFFAOYSA-N
646	131.12	C5H9NO3	CID: 76406	3-acetamidopropanoic acid	LJLLAWRMBZNPMO-UHFFFAOYSA-N
647	195.21	C10H13NO3	CID: 76957	2-amino-3-(4-hydroxyphenyl)propanoic acid methyl ester	MWZPENIJLUWBSY-UHFFFAOYSA-N
648	230.21	C13H10O4	CID: 77093	phenyl-(2,4,6-trihydroxyphenyl)methanone	CPEXFJVZFNYXGU-UHFFFAOYSA-N
649	174.15	C9H6N2O2	CID: 77341	4-nitroquinoline	ZPVSFHWMXABGPU-UHFFFAOYSA-N
650	105.20	C4H11NS	CID: 77743	3-(methylthio)-1-propanamine	KKYSBGWCYXYOHA-UHFFFAOYSA-N
651	230.10	C5H11O8P	CID: 77982	[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate	PPQRONHOSHZGFQ-LMVFSUKVSA-N
652	148.15	C9H8O2	CID: 78092	3-isochromanone	ILHLUZUMRJQEAH-UHFFFAOYSA-N
653	103.16	C5H13NO	CID: 79019	2-amino-3-methyl-1-butanol	NWYYWIJOWOLJNR-UHFFFAOYSA-N
654	162.14	C6H10O5	CID: 79029	6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol	TWNIBLMWSKIRAT-UHFFFAOYSA-N
655	172.18	C7H12N2O3	CID: 79101	1-(2-amino-1-oxoethyl)-2-pyrrolidinecarboxylic acid	KZNQNBZMBZJQJO-UHFFFAOYSA-N
656	342.29	C12H22O11	CID: 84571	(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]tetrahydropyran-3,4,5-triol	GUBGYTABKSRVRQ-XLOQQCSPSA-N
657	340.11	C6H14O12P2	CID: 84951	[(2R,3R,4S)-2,3,4-trihydroxy-5-oxo-6-phosphonooxyhexyl] dihydrogen phosphate	XPYBSIWDXQFNMH-UYFOZJQFSA-N
658	184.14	C8H8O5	CID: 85782	2-(3,4-dihydroxyphenyl)-2-hydroxyacetic acid	RGHMISIYKIHAJW-UHFFFAOYSA-N
659	386.65	C27H46O	CID: 85881	17-(1,5-dimethylhexyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one	PESKGJQREUXSRR-UHFFFAOYSA-N
660	390.38	C17H26O10	CID: 87691	(1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester	AMBQHHVBBHTQBF-UOUCRYGSSA-N
661	177.15	C9H7NO3	CID: 88958	5-hydroxy-1H-indole-2-carboxylic acid	BIMHWDJKNOMNLD-UHFFFAOYSA-N
662	156.09	C5H4N2O4	CID: 90301	2,4-dioxo-1H-pyrimidine-5-carboxylic acid	ZXYAAVBXHKCJJB-UHFFFAOYSA-N
663	302.45	C20H30O2	CID: 90895	7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid	RSWGJHLUYNHPMX-UHFFFAOYSA-N
664	344.31	C12H24O11	CID: 91476	(2S,3R,4R,5R)-4-[[(2S,3R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]hexane-1,2,3,5,6-pentol	VQHSOMBJVWLPSR-JGMLYOSISA-N
665	384.63	C27H44O	CID: 91477	(8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one	NYOXRYYXRWJDKP-GYKMGIIDSA-N
666	276.13	C6H13O10P	CID: 91493	(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-phosphonooxyhexanoic acid	BIRSGZKFKXLSJQ-SQOUGZDYSA-N
667	170.16	C8H10O4	CID: 91528	4-(1,2-dihydroxyethyl)benzene-1,2-diol	MTVWFVDWRVYDOR-UHFFFAOYSA-N
668	180.15	C6H12O6	CID: 92092	(3S,4S,5R)-1,3,4,5,6-pentahydroxy-2-hexanone	BJHIKXHVCXFQLS-PQLUHFTBSA-N
669	386.65	C27H46O	CID: 92128	(5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one	PESKGJQREUXSRR-UXIWKSIVSA-N
670	384.63	C27H44O	CID: 92746	(3S,5S,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhex-4-enyl]-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	CGSJXLIKVBJVRY-XTGBIJOFSA-N
671	434.39	C21H22O10	CID: 92794	(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromanone	DLIKSSGEMUFQOK-SFTVRKLSSA-N
672	342.29	C12H22O11	CID: 92797	(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]hexanal	PZDOWFGHCNHPQD-VNNZMYODSA-N
673	342.29	C12H22O11	CID: 92807	(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]hexanal	AYRXSINWFIIFAE-SCLLYDPQSA-N
674	316.47	C21H32O2	CID: 92810	(5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one	XMRPGKVKISIQBV-BJMCWZGWSA-N
675	504.43	C18H32O16	CID: 92817	(2R,3R,4S,5S,6R)-2-[[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydrofuranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol	QWIZNVHXZXRPDR-WSCXOGSTSA-N
676	134.08	C4H6O5	CID: 92824	(2R)-2-hydroxybutanedioic acid	BJEPYKJPYRNKOW-UWTATZPHSA-N
677	238.23	C11H14N2O4	CID: 92829	(2S)-2-[(2-amino-1-oxoethyl)amino]-3-(4-hydroxyphenyl)propanoic acid	XBGGUPMXALFZOT-VIFPVBQESA-N
678	188.22	C8H16N2O3	CID: 92832	(2S)-6-acetamido-2-aminohexanoic acid	DTERQYGMUDWYAZ-ZETCQYMHSA-N
679	272.42	C16H32O3	CID: 92836	2-hydroxyhexadecanoic acid	JGHSBPIZNUXPLA-UHFFFAOYSA-N
680	116.15	C6H12O2	CID: 92886	(1R,2R)-cyclohexane-1,2-diol	PFURGBBHAOXLIO-PHDIDXHHSA-N
681	116.15	C6H12O2	CID: 92903	(1R,2S)-cyclohexane-1,2-diol	PFURGBBHAOXLIO-OLQVQODUSA-N
682	205.20	C11H11NO3	CID: 92904	2-hydroxy-3-(1H-indol-3-yl)propanoic acid	XGILAAMKEQUXLS-UHFFFAOYSA-N
683	188.22	C8H16N2O3	CID: 92907	(2S)-2-acetamido-6-aminohexanoic acid	VEYYWZRYIYDQJM-ZETCQYMHSA-N
684	164.15	C6H12O5	CID: 93579	(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanal	PNNNRSAQSRJVSB-JGWLITMVSA-N
685	302.40	C19H26O3	CID: 94141	(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione	WSCUHXPGYUMQEX-KCZNZURUSA-N
686	152.14	C5H12O5	CID: 94154	(2R,4R)-pentane-1,2,3,4,5-pentol	HEBKCHPVOIAQTA-QWWZWVQMSA-N
687	120.10	C4H8O4	CID: 94176	(2R,3R)-2,3,4-trihydroxybutanal	YTBSYETUWUMLBZ-IUYQGCFVSA-N
688	194.18	C7H14O6	CID: 94214	(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxytetrahydropyran-3,4,5-triol	HOVAGTYPODGVJG-VOQCIKJUSA-N
689	89.093	C3H7NO2	CID: 94220	2-hydroxypropanamide	SXQFCVDSOLSHOQ-UHFFFAOYSA-N
690	300.43	C20H28O2	CID: 94391	(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid	NFWKVWVWBFBAOV-MISYRCLQSA-N
691	194.13	C6H10O7	CID: 94715	(2S,3S,4S,5R)-3,4,5,6-tetrahydroxy-2-tetrahydropyrancarboxylic acid	AEMOLEFTQBMNLQ-AQKNRBDQSA-N
692	180.15	C6H12O6	CID: 94780	(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal	GZCGUPFRVQAUEE-ARQDHWQXSA-N
693	172.18	C7H12N2O3	CID: 95514	5-(4-hydroxybutyl)imidazolidine-2,4-dione	SQKDMDCPJJTKKB-UHFFFAOYSA-N
694	161.15	C9H7NO2	CID: 97250	8-hydroxy-1H-quinolin-2-one	ZXZKYYHTWHJHFT-UHFFFAOYSA-N
695	202.20	C9H14O5	CID: 97750	2-methyl-3-oxobutanedioic acid diethyl ester	OQOCQBJWOCRPQY-UHFFFAOYSA-N
696	175.14	C5H9N3O4	CID: 97856	2-guanidinobutanedioic acid	VVHOUVWJCQOYGG-UHFFFAOYSA-N
697	118.13	C5H10O3	CID: 98009	2-hydroxypentanoic acid	JRHWHSJDIILJAT-UHFFFAOYSA-N
698	119.11	C4H9NO3	CID: 99289	(2S,3S)-2-amino-3-hydroxybutanoic acid	AYFVYJQAPQTCCC-HRFVKAFMSA-N
699	180.15	C6H12O6	CID: 99459	(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal	GZCGUPFRVQAUEE-KAZBKCHUSA-N
700	119.07	C3H5NO4	CID: 100714	2-aminopropanedioic acid	JINBYESILADKFW-UHFFFAOYSA-N
701	400.63	C27H44O2	CID: 101465	(2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-3-heptanone	ZJIBAMHOAQWYSE-CNXJXGGASA-N
702	120.10	C4H8O4	CID: 101562	(2S)-tetrahydrofuran-2,3,4-triol	FMAORJIQYMIRHF-LKHOQCSESA-N
703	226.18	C7H14O8	CID: 101713	2,3,4,5,6,7-hexahydroxyheptanoic acid	KWMLJOLKUYYJFJ-UHFFFAOYSA-N
704	180.15	C6H12O6	CID: 102288	(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal	GZCGUPFRVQAUEE-BGPJRJDNSA-N
705	194.13	C6H10O7	CID: 102424	(3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid	VBUYCZFBVCCYFD-NUNKFHFFSA-N
706	340.11	C6H14O12P2	CID: 105021	[(2S,3S,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(phosphonooxymethyl)-2-tetrahydrofuranyl] dihydrogen phosphate	YXWOAJXNVLXPMU-ZXXMMSQZSA-N
707	111.09	C5H5NO2	CID: 105085	3-hydroxy-1H-pyridin-4-one	ZCUUVWCJGRQCMZ-UHFFFAOYSA-N
708	144.12	C6H8O4	CID: 107550	3-hexenedioic acid	YHGNXQAFNHCBTK-UHFFFAOYSA-N
709	90.077	C3H6O3	CID: 107689	(2S)-2-hydroxypropanoic acid	JVTAAEKCZFNVCJ-REOHCLBHSA-N
710	402.65	C27H46O2	CID: 107722	(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol	OYXZMSRRJOYLLO-RVOWOUOISA-N
711	109.14	C2H7NO2S	CID: 107812	2-aminoethanesulfinic acid	VVIUBCNYACGLLV-UHFFFAOYSA-N
712	307.42	C18H29NO3	CID: 107982	N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide	XJQPQKLURWNAAH-UHFFFAOYSA-N
713	183.16	C8H9NO4	CID: 108001	2-amino-2-(3,5-dihydroxyphenyl)acetic acid	HOOWCUZPEFNHDT-UHFFFAOYSA-N
714	246.26	C9H18N4O4	CID: 108172	(2S)-5-guanidino-2-[[(1R)-2-hydroxy-1-methyl-2-oxoethyl]amino]pentanoic acid	IMXSCCDUAFEIOE-RITPCOANSA-N
715	164.15	C6H12O5	CID: 108223	(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal	VRYALKFFQXWPIH-PBXRRBTRSA-N
716	215.63	C9H10ClNO3	CID: 110992	(2S)-2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid	ACWBBAGYTKWBCD-ZETCQYMHSA-N
717	148.11	C5H8O5	CID: 111064	(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranone	CUOKHACJLGPRHD-BXXZVTAOSA-N
718	155.19	C8H13NO2	CID: 115288	2-amino-2-norbornanecarboxylic acid	MPUVBVXDFRDIPT-UHFFFAOYSA-N
719	506.45	C18H34O16	CID: 118008	(2S,3R,5R)-4-[[(2R,3R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]hexane-1,2,3,5,6-pentol	XJCCHWKNFMUJFE-CLYXNOERSA-N
720	162.14	C6H10O5	CID: 119054	(1R,2R,3S,4S,5R,6S)-7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol	ZHMWOVGZCINIHW-FTYOSCRSSA-N
721	190.15	C6H10N2O5	CID: 121396	(2S)-2-ureidopentanedioic acid	LCQLHJZYVOQKHU-VKHMYHEASA-N
722	402.65	C27H46O2	CID: 121935	(3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxy-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	MCKLJFJEQRYRQT-APGJSSKUSA-N
723	317.50	C18H39NO3	CID: 122121	(2S,3S,4R)-2-aminooctadecane-1,3,4-triol	AERBNCYCJBRYDG-KSZLIROESA-N
724	464.50	C24H32O9	CID: 122281	(2S,3S,4S,5R,6R)-6-[[(8R,9S,13S,14S,16R,17R)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid	FQYGGFDZJFIDPU-JRSYHJKYSA-N
725	422.27	C12H23O14P	CID: 122336	[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]methyl dihydrogen phosphate	LABSPYBHMPDTEL-LIZSDCNHSA-N
726	200.08	C4H9O7P	CID: 122357	[(2R,3R)-2,3-dihydroxy-4-oxobutyl] dihydrogen phosphate	NGHMDNPXVRFFGS-IUYQGCFVSA-N
727	330.50	C19H38O4	CID: 123409	hexadecanoic acid [2-hydroxy-1-(hydroxymethyl)ethyl] ester	BBNYCLAREVXOSG-UHFFFAOYSA-N
728	337.37	C15H23N5O4	CID: 123804	(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-guanidinopentanoic acid	JXNRXNCCROJZFB-RYUDHWBXSA-N
729	202.25	C8H18N4O2	CID: 123831	(2S)-2-amino-5-[[amino(dimethylamino)methylene]amino]pentanoic acid	YDGMGEXADBMOMJ-LURJTMIESA-N
730	307.32	C10H17N3O6S	CID: 124886	(2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-1-(mercaptomethyl)-2-oxoethyl]amino]-5-oxopentanoic acid	RWSXRVCMGQZWBV-WDSKDSINSA-N
731	196.15	C6H12O7	CID: 128869	(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid	RGHNJXZEOKUKBD-MGCNEYSASA-N
732	205.25	C9H19NO4	CID: 131204	(2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide	SNPLKNRPJHDVJA-ZETCQYMHSA-N
733	212.19	C10H12O5	CID: 134310	2-[4-(hydroxymethyl)-3-methoxyphenoxy]acetic acid	ZKDXHLFLKKWCBY-UHFFFAOYSA-N
734	115.13	C5H9NO2	CID: 145742	(2S)-2-pyrrolidinecarboxylic acid	ONIBWKKTOPOVIA-BYPYZUCNSA-N
735	147.17	C9H9NO	CID: 150923	3-methyl-2-indolinone	BBZCPUCZKLTAJQ-UHFFFAOYSA-N
736	120.10	C4H8O4	CID: 150929	3,4-dihydroxybutanoic acid	DZAIOXUZHHTJKN-UHFFFAOYSA-N
737	144.16	C7H12O3	CID: 151138	4-hydroxycyclohexanecarboxylic acid	HCFRWBBJISAZNK-UHFFFAOYSA-N
738	136.10	C4H8O5	CID: 151152	(2S,3R)-2,3,4-trihydroxybutanoic acid	JPIJQSOTBSSVTP-GBXIJSLDSA-N
739	155.15	C6H9N3O2	CID: 151491	(2S)-2-amino-3-(1-pyrazolyl)propanoic acid	PIGOPELHGLPKLL-YFKPBYRVSA-N
740	194.13	C6H10O7	CID: 152867	2,3,4,5-tetrahydroxy-6-oxohexanoic acid	IAJILQKETJEXLJ-UHFFFAOYSA-N
741	289.36	C17H23NO3	CID: 154417	(2S)-3-hydroxy-2-phenylpropanoic acid [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester	RKUNBYITZUJHSG-VFSICIBPSA-N
742	270.23	C11H14N2O6	CID: 156807	(2R,3R,4R)-5-(4-nitrophenyl)iminopentane-1,2,3,4-tetrol	KGZKBJWBUXFFPS-GMTAPVOTSA-N
743	165.21	C5H11NO3S	CID: 158980	(2S)-2-amino-4-methylsulfinylbutanoic acid	QEFRNWWLZKMPFJ-YGVKFDHGSA-N
744	189.27	C9H21N2O2	CID: 159660	(5-amino-6-hydroxy-6-oxohexyl)-trimethylammonium	MXNRLFUSFKVQSK-UHFFFAOYSA-O
745	130.14	C6H10O3	CID: 159664	2-oxohexanoic acid	XNIHZNNZJHYHLC-UHFFFAOYSA-N
746	194.13	C6H10O7	CID: 159793	(3R,4S,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid	VBUYCZFBVCCYFD-FLRLBIABSA-N
747	196.20	C9H12N2O3	CID: 160450	(2S)-2-amino-3-(3-amino-4-hydroxyphenyl)propanoic acid	POGSZHUEECCEAP-ZETCQYMHSA-N
748	344.31	C12H24O11	CID: 160514	(2S,3R,4R,5R)-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]hexane-1,2,3,5,6-pentol	VQHSOMBJVWLPSR-WELRSGGNSA-N
749	420.66	C27H48O3	CID: 160520	(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol	RIVQQZVHIVNQFH-XJZYBRFWSA-N
750	208.21	C10H12N2O3	CID: 161166	(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid	YGPSJZOEDVAXAB-QMMMGPOBSA-N
751	342.29	C12H22O11	CID: 165577	(3S,4S,5R)-1,3,4,6-tetrahydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-hexanone	DXALOGXSFLZLLN-WTZPKTTFSA-N
752	149.14	C8H7NO2	CID: 166768	2-hydroxy-2-(4-hydroxyphenyl)acetonitrile	HOOOPXDSCKBLFG-UHFFFAOYSA-N
753	122.11	C4H10O4	CID: 169019	(2R,3R)-butane-1,2,3,4-tetrol	UNXHWFMMPAWVPI-QWWZWVQMSA-N
754	264.27	C13H16N2O4	CID: 171161	N-[3-(2-formamido-5-methoxyphenyl)-3-oxopropyl]acetamide	JYWNYMJKURVPFH-UHFFFAOYSA-N
755	244.31	C10H16N2O3S	CID: 171548	5-[(3aR,6S,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]pentanoic acid	YBJHBAHKTGYVGT-ZKWXMUAHSA-N
756	169.07	C3H8NO5P	CID: 177120	(2R)-2-amino-3-phosphonopropanoic acid	LBTABPSJONFLPO-REOHCLBHSA-N
757	267.24	C10H13N5O4	CID: 187790	2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3H-purin-6-one	YKBGVTZYEHREMT-KVQBGUIXSA-N
758	504.43	C18H32O16	CID: 192826	(2R,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]-3-tetrahydropyranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol	FYGDTMLNYKFZSV-PXXRMHSHSA-N
759	179.19	C5H9NO4S	CID: 193653	(2R)-2-amino-3-(carboxymethylthio)propanoic acid	GBFLZEXEOZUWRN-VKHMYHEASA-N
760	309.31	C14H19N3O5	CID: 194988	(2S)-2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]propanoic acid	UIQGJYUEQDOODF-KWQFWETISA-N
761	458.37	C22H18O11	CID: 199472	3,4,5-trihydroxybenzoic acid [(2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-chromanyl] ester	WMBWREPUVVBILR-NQIIRXRSSA-N
762	210.18	C7H14O7	CID: 219662	2,3,4,5,6,7-hexahydroxyheptanal	YPZMPEPLWKRVLD-UHFFFAOYSA-N
763	164.15	C6H12O5	CID: 220001	2,3,4,5-tetrahydroxyhexanal	PNNNRSAQSRJVSB-UHFFFAOYSA-N
764	246.30	C15H18O3	CID: 221071	(3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione	XJHDMGJURBVLLE-BOCCBSBMSA-N
765	408.57	C24H40O5	CID: 221493	(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid	BHQCQFFYRZLCQQ-OELDTZBJSA-N
766	134.08	C4H6O5	CID: 222656	(2S)-2-hydroxybutanedioic acid	BJEPYKJPYRNKOW-REOHCLBHSA-N
767	360.44	C21H28O5	CID: 222786	(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione	MFYSYFVPBJMHGN-ZPOLXVRWSA-N
768	133.14	C5H11NO3	CID: 222906	2-amino-3-methoxybutanoic acid	FYCWLJLGIAUCCL-UHFFFAOYSA-N
769	300.39	C19H24O3	CID: 223997	(8S,9S,10R,13S,14S)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione	RZRPTBIGEANTGU-IRIMSJTPSA-N
770	164.15	C6H12O5	CID: 225612	3,4,5,6-tetrahydroxyhexanal	VRYALKFFQXWPIH-UHFFFAOYSA-N
771	318.49	C21H34O2	CID: 228491	1-[(3S,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone	AURFZBICLPNKBZ-GRWISUQFSA-N
772	610.56	C28H34O15	CID: 232990	7-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl)oxy]-2-tetrahydropyranyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone	ARGKVCXINMKCAZ-UHFFFAOYSA-N
773	126.11	C6H6O3	CID: 237332	5-(hydroxymethyl)-2-furancarboxaldehyde	NOEGNKMFWQHSLB-UHFFFAOYSA-N
774	292.45	C19H32O2	CID: 242332	(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol	CBMYJHIOYJEBSB-YSZCXEEOSA-N
775	426.71	C30H50O	CID: 246983	(3S,5R,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhex-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol	CAHGCLMLTWQZNJ-BQNIITSRSA-N
776	302.40	C19H26O3	CID: 252379	(8R,9S,10S,13S,14S)-10-(hydroxymethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione	XGUHPTGEXRHMQQ-BGJMDTOESA-N
777	167.16	C8H9NO3	CID: 255720	2-amino-3-methoxybenzoic acid	SXOPCLUOUFQBJV-UHFFFAOYSA-N
778	148.15	C6H12O4	CID: 258531	3,4,5-trihydroxyhexanal	JWFRNGYBHLBCMB-UHFFFAOYSA-N
779	161.15	C6H11NO4	CID: 268779	2-(methylamino)pentanedioic acid	XLBVNMSMFQMKEY-UHFFFAOYSA-N
780	197.19	C8H11N3O3	CID: 273260	2-acetamido-3-(1H-imidazol-5-yl)propanoic acid	KBOJOGQFRVVWBH-UHFFFAOYSA-N
781	103.11	C4H9NO2	CID: 316542	2-(ethylamino)acetic acid	YPIGGYHFMKJNKV-UHFFFAOYSA-N
782	156.18	C10H8N2	CID: 351795	2-(1H-indol-3-yl)acetonitrile	DMCPFOBLJMLSNX-UHFFFAOYSA-N
783	152.23	C10H16O	CID: 369312	[(4S)-4-isopropenyl-1-cyclohexenyl]methanol	NDTYTMIUWGWIMO-SNVBAGLBSA-N
784	172.07	C3H9O6P	CID: 439162	[(2R)-2,3-dihydroxypropyl] dihydrogen phosphate	AWUCVROLDVIAJX-GSVOUGTGSA-N
785	230.10	C5H11O8P	CID: 439167	[(2R,3S,4R)-3,4,5-trihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate	KTVPXOYAKDPRHY-SOOFDHNKSA-N
786	297.33	C11H15N5O3S	CID: 439176	(2R,3R,4S,5S)-2-(6-amino-9-purinyl)-5-[(methylthio)methyl]tetrahydrofuran-3,4-diol	WUUGFSXJNOTRMR-IOSLPCCCSA-N
787	186.05	C3H7O7P	CID: 439183	(2R)-2-hydroxy-3-phosphonooxypropanoic acid	OSJPPGNTCRNQQC-UWTATZPHSA-N
788	230.10	C5H11O8P	CID: 439184	[(2R,3R)-2,3,5-trihydroxy-4-oxopentyl] dihydrogen phosphate	FNZLKVNUWIIPSJ-UHNVWZDZSA-N
789	342.29	C12H22O11	CID: 439193	(3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol	DLRVVLDZNNYCBX-RTPHMHGBSA-N
790	106.07	C3H6O4	CID: 439194	(2R)-2,3-dihydroxypropanoic acid	RBNPOMFGQQGHHO-UWTATZPHSA-N
791	154.25	C4H10O2S2	CID: 439196	(2R,3R)-1,4-dimercaptobutane-2,3-diol	VHJLVAABSRFDPM-IMJSIDKUSA-N
792	194.13	C6H10O7	CID: 439215	(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-tetrahydropyrancarboxylic acid	AEMOLEFTQBMNLQ-YMDCURPLSA-N
793	158.11	C5H6N2O4	CID: 439216	(4S)-2,6-dioxo-4-hexahydropyrimidinecarboxylic acid	UFIVEPVSAGBUSI-REOHCLBHSA-N
794	129.15	C6H11NO2	CID: 439227	(2S)-2-piperidinecarboxylic acid	HXEACLLIILLPRG-YFKPBYRVSA-N
795	174.19	C7H14N2O3	CID: 439232	(2S)-2-acetamido-5-aminopentanoic acid	JRLGPAXAGHMNOL-LURJTMIESA-N
796	150.12	C5H10O5	CID: 439240	(3S,4S,5R)-tetrahydropyran-2,3,4,5-tetrol	SRBFZHDQGSBBOR-AGQMPKSLSA-N
797	504.43	C18H32O16	CID: 439242	(2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]tetrahydropyran-3,4,5-triol	MUPFEKGTMRGPLJ-ZQSKZDJDSA-N
798	272.25	C15H12O5	CID: 439246	(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromanone	FTVWIRXFELQLPI-ZDUSSCGKSA-N
799	220.22	C11H12N2O3	CID: 439280	(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid	LDCYZAJDBXYCGN-VIFPVBQESA-N
800	180.15	C6H12O6	CID: 439312	(3S,4S,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol	LKDRXBCSQODPBY-OEXCPVAWSA-N
801	154.25	C4H10O2S2	CID: 439352	(2R,3S)-1,4-dimercaptobutane-2,3-diol	VHJLVAABSRFDPM-ZXZARUISSA-N
802	178.13	C6H10O6	CID: 439373	(3S,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2-tetrahydrofuranone	SXZYCXMUPBBULW-SKNVOMKLSA-N
803	161.15	C6H11NO4	CID: 439377	(2S)-2-(methylamino)pentanedioic acid	XLBVNMSMFQMKEY-BYPYZUCNSA-N
804	219.19	C8H13NO6	CID: 439406	(2S)-2-amino-4-(4-hydroxy-1,4-dioxobutoxy)butanoic acid	GNISQJGXJIDKDJ-YFKPBYRVSA-N
805	342.29	C12H22O11	CID: 439451	(1R,2S,4R,5R)-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]cyclohexane-1,2,3,4,5-pentol	VCWMRQDBPZKXKG-SPBUTQSFSA-N
806	304.25	C15H12O7	CID: 439533	(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-chromanone	CXQWRCVTCMQVQX-LSDHHAIUSA-N
807	342.29	C12H22O11	CID: 439559	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]methoxy]tetrahydropyran-3,4,5-triol	PVXPPJIGRGXGCY-TZLCEDOOSA-N
808	268.35	C8H16N2O4S2	CID: 439579	(2S)-2-amino-4-[(3S)-3-amino-4-hydroxy-4-oxobutyl]disulfanylbutanoic acid	ZTVZLYBCZNMWCF-WDSKDSINSA-N
809	504.43	C18H32O16	CID: 439586	(2R,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]-3-tetrahydropyranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol	FYGDTMLNYKFZSV-DZOUCCHMSA-N
810	152.14	C8H8O3	CID: 439616	(2S)-2-hydroxy-2-phenylacetic acid	IWYDHOAUDWTVEP-ZETCQYMHSA-N
811	666.57	C24H42O21	CID: 439626	(2S,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6S)-6-[[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]-3-tetrahydropyranyl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol	LUEWUZLMQUOBSB-YQGOCCRESA-N
812	120.10	C4H8O4	CID: 439665	(2S,3R)-2,3,4-trihydroxybutanal	YTBSYETUWUMLBZ-QWWZWVQMSA-N
813	370.26	C12H18O13	CID: 439694	(2S,3R,4S,5R,6S)-6-[[(2S,3R,4R,5R)-2-carboxy-4,5,6-trihydroxy-3-tetrahydropyranyl]oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid	IGSYEZFZPOZFNC-LKIWRGPLSA-N
814	114.10	C4H6N2O2	CID: 439742	(2S)-2-amino-3-cyanopropanoic acid	BXRLWGXPSRYJDZ-VKHMYHEASA-N
815	164.15	C6H12O5	CID: 439746	(3R,4S,5S,6R)-6-methyltetrahydropyran-2,3,4,5-tetrol	SHZGCJCMOBCMKK-GASJEMHNSA-N
816	422.27	C12H23O14P	CID: 439762	[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydrofuranyl]methyl dihydrogen phosphate	PJTTXANTBQDXME-UGDNZRGBSA-N
817	148.11	C5H8O5	CID: 439766	(2R)-2-hydroxy-2-methylbutanedioic acid	XFTRTWQBIOMVPK-RXMQYKEDSA-N
818	246.26	C13H14N2O3	CID: 439917	(2R)-2-acetamido-3-(1H-indol-3-yl)propanoic acid	DZTHIGRZJZPRDV-GFCCVEGCSA-N
819	260.13	C6H13O9P	CID: 439958	[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate	VFRROHXSMXFLSN-SLPGGIOYSA-N
820	199.16	C7H9N3O4	CID: 440053	(2S)-2-amino-3-(2,4-dioxo-1-pyrimidinyl)propanoic acid	FACUYWPMDKTVFU-BYPYZUCNSA-N
821	504.43	C18H32O16	CID: 440080	(2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-tetrahydrofuranyl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol	VAWYEUIPHLMNNF-OESPXIITSA-N
822	288.42	C19H28O2	CID: 440114	(5R,8R,9S,10S,13S,14S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione	RAJWOBJTTGJROA-QJISAEMRSA-N
823	189.27	C9H21N2O2	CID: 440121	[(5S)-5-amino-6-hydroxy-6-oxohexyl]-trimethylammonium	MXNRLFUSFKVQSK-QMMMGPOBSA-O
824	288.38	C18H24O3	CID: 440168	(6R,8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,6,17-triol	QZZRQURPSRWTLG-UXCAXZQLSA-N
825	183.20	C8H13N3O2	CID: 440274	(2S)-2-(dimethylamino)-3-(1H-imidazol-5-yl)propanoic acid	IMOBSLOLPCWZKQ-ZETCQYMHSA-N
826	162.18	C10H10O2	CID: 440294	(1R,2S)-1,2-dihydronaphthalene-1,2-diol	QPUHWUSUBHNZCG-VHSXEESVSA-N
827	198.17	C8H10N2O4	CID: 440473	(2S)-2-amino-3-(3-hydroxy-4-oxo-1-pyridyl)propanoic acid	WZNJWVWKTVETCG-YFKPBYRVSA-N
828	428.73	C30H52O	CID: 440560	(3S,5R,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol	MBZYKEVPFYHDOH-BQNIITSRSA-N
829	131.12	C5H9NO3	CID: 440575	(2S,3S)-3-hydroxy-2-pyrrolidinecarboxylic acid	BJBUEDPLEOHJGE-IMJSIDKUSA-N
830	286.36	C18H22O3	CID: 440623	(8R,9S,13S,14S)-2,3-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one	SWINWPBPEKHUOD-JPVZDGGYSA-N
831	300.39	C19H24O3	CID: 440624	(8R,9S,13S,14S)-3-hydroxy-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one	WHEUWNKSCXYKBU-QPWUGHHJSA-N
832	342.29	C12H22O11	CID: 440658	(3R,4S,5S,6R)-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol	DLRVVLDZNNYCBX-ABXHMFFYSA-N
833	174.10	C6H6O6	CID: 440667	(5R)-5-[(1S)-1,2-dihydroxyethyl]tetrahydrofuran-2,3,4-trione	SBJKKFFYIZUCET-JLAZNSOCSA-N
834	332.47	C21H32O3	CID: 440705	2-hydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone	MOIQRAOBRXUWGN-UHFFFAOYSA-N
835	104.10	C4H8O3	CID: 440864	(2S)-2-hydroxybutanoic acid	AFENDNXGAFYKQO-VKHMYHEASA-N
836	136.23	C10H16	CID: 440917	(4R)-4-isopropenyl-1-methylcyclohexene	XMGQYMWWDOXHJM-JTQLQIEISA-N
837	272.25	C12H16O7	CID: 440936	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)tetrahydropyran-3,4,5-triol	BJRNKVDFDLYUGJ-RMPHRYRLSA-N
838	180.15	C6H12O6	CID: 441032	(3S,4R,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol	WQZGKKKJIJFFOK-RSVSWTKNSA-N
839	180.15	C6H12O6	CID: 441035	(3S,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol	WQZGKKKJIJFFOK-WHZQZERISA-N
840	162.14	C6H10O5	CID: 441040	(2S)-2-[(2S,3S,4R)-3,4-dihydroxy-2-tetrahydrofuranyl]-2-hydroxyacetaldehyde	WZYRMLAWNVOIEX-ARQDHWQXSA-N
841	342.29	C12H22O11	CID: 441422	(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol	DLRVVLDZNNYCBX-LIZSDCNHSA-N
842	449.38	C21H21O11	CID: 441667	(2S,3R,4S,5S,6R)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-chromenyliumyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol	RKWHWFONKJEUEF-GQUPQBGVSA-O
843	580.53	C27H32O14	CID: 442428	(2S)-7-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-chromanone	DFPMSGMNTNDNHN-ZPHOTFPESA-N
844	610.56	C28H34O15	CID: 442439	(2S)-7-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone	ARGKVCXINMKCAZ-UZRWAPQLSA-N
845	154.24	C10H18O	CID: 443163	(1R,2R,5R)-5-isopropenyl-2-methylcyclohexanol	KRCZYMFUWVJCLI-OPRDCNLKSA-N
846	149.10	C4H7NO5	CID: 443239	(2S,3S)-2-amino-3-hydroxybutanedioic acid	YYLQUHNPNCGKJQ-LWMBPPNESA-N
847	183.16	C8H9NO4	CID: 443586	(2S)-2-amino-2-(3,5-dihydroxyphenyl)acetic acid	HOOWCUZPEFNHDT-ZETCQYMHSA-N
848	465.38	C21H21O12	CID: 443650	(2S,3R,4S,5S,6R)-2-[[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-chromenyliumyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol	XENHPQQLDPAYIJ-PEVLUNPASA-O
849	479.41	C22H23O12	CID: 443651	(2S,3R,4S,5S,6R)-2-[[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-chromenyliumyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol	CCQDWIRWKWIUKK-QKYBYQKWSA-O
850	493.43	C23H25O12	CID: 443652	(2S,3R,4S,5S,6R)-2-[[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-chromenyliumyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol	PXUQTDZNOHRWLI-OXUVVOBNSA-O
851	463.41	C22H23O11	CID: 443654	(2S,3R,4S,5S,6R)-2-[[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-chromenyliumyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol	ZZWPMFROUHHAKY-OUUKCGNVSA-O
852	786.55	C27H34N9O15P2	CID: 444188	[(2R,3S,4R,5R)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl] hydrogen phosphate	IMGVNJNCCGXBHD-UYBVJOGSSA-O
853	174.10	C6H6O6	CID: 444212	(E)-1-propene-1,2,3-tricarboxylic acid	GTZCVFVGUGFEME-HNQUOIGGSA-N
854	116.07	C4H4O4	CID: 444266	maleic acid	VZCYOOQTPOCHFL-UPHRSURJSA-N
855	150.08	C4H6O6	CID: 444305	(2R,3R)-2,3-dihydroxybutanedioic acid	FEWJPZIEWOKRBE-JCYAYHJZSA-N
856	148.15	C9H8O2	CID: 444539	(E)-3-phenyl-2-propenoic acid	WBYWAXJHAXSJNI-VOTSOKGWSA-N
857	396.64	C28H44O	CID: 444679	(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol	DNVPQKQSNYMLRS-APGDWVJJSA-N
858	166.17	C9H10O3	CID: 444718	(2S)-2-hydroxy-3-phenylpropanoic acid	VOXXWSYKYCBWHO-QMMMGPOBSA-N
859	300.43	C20H28O2	CID: 444795	(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid	SHGAZHPCJJPHSC-YCNIQYBTSA-N
860	304.46	C20H32O2	CID: 444899	(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid	YZXBAPSDXZZRGB-DOFZRALJSA-N
861	116.07	C4H4O4	CID: 444972	fumaric acid	VZCYOOQTPOCHFL-OWOJBTEDSA-N
862	222.36	C15H26O	CID: 445070	(2E,6E)-3,7,11-trimethyl-1-dodeca-2,6,10-trienol	CRDAMVZIKSXKFV-YFVJMOTDSA-N
863	228.24	C14H12O3	CID: 445154	5-[(E)-2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol	LUKBXSAWLPMMSZ-OWOJBTEDSA-N
864	254.40	C16H30O2	CID: 445638	(Z)-9-hexadecenoic acid	SECPZKHBENQXJG-FPLPWBNLSA-N
865	282.46	C18H34O2	CID: 445639	(Z)-9-octadecenoic acid	ZQPPMHVWECSIRJ-KTKRTIGZSA-N
866	194.18	C10H10O4	CID: 445858	(E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid	KSEBMYQBYZTDHS-HWKANZROSA-N
867	194.13	C6H10O7	CID: 445929	(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxy-2-tetrahydropyrancarboxylic acid	AEMOLEFTQBMNLQ-BKBMJHBISA-N
868	290.44	C19H30O2	CID: 446188	(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol	BTTWKVFKBPAFDK-SSCHMFMQSA-N
869	180.15	C6H12O6	CID: 448388	(2R,3R,4R,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol	WQZGKKKJIJFFOK-QZABAPFNSA-N
870	219.24	C10H13N5O	CID: 449093	(E)-2-methyl-4-(7H-purin-6-ylamino)-2-buten-1-ol	UZKQTCBAMSWPJD-FARCUNLSSA-N
871	312.53	C20H40O2	CID: 468706	(7R,11R)-3,7,11,15-tetramethylhexadecanoic acid	RLCKHJSFHOZMDR-PWCSWUJKSA-N
872	342.29	C12H22O11	CID: 493593	(2R,3R,5R)-2,3,5,6-tetrahydroxy-4-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]hexanal	DKXNBNKWCZZMJT-HWCAIPQBSA-N
873	276.47	C11H24O4Si2	CID: 523334	4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)-2-tetrahydrofuranone	IKMKBKLESWIEFA-UHFFFAOYSA-N
874	420.66	C27H48O3	CID: 537036	17-(1,5-dimethylhexyl)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol	YMMFNKXZULYSOQ-UHFFFAOYSA-N
875	238.30	C9H18O5S	CID: 552632	2-(hydroxymethyl)-6-(isopropylthio)tetrahydropyran-3,4,5-triol	BPHPUYQFMNQIOC-UHFFFAOYSA-N
876	131.12	C5H9NO3	CID: 559314	3-hydroxy-2-pyrrolidinecarboxylic acid	BJBUEDPLEOHJGE-UHFFFAOYSA-N
877	282.46	C18H34O2	CID: 637517	(E)-9-octadecenoic acid	ZQPPMHVWECSIRJ-MDZDMXLPSA-N
878	162.18	C10H10O2	CID: 637520	(E)-3-phenyl-2-propenoic acid methyl ester	CCRCUPLGCSFEDV-BQYQJAHWSA-N
879	164.15	C9H8O3	CID: 637540	(E)-3-(2-hydroxyphenyl)-2-propenoic acid	PMOWTIHVNWZYFI-AATRIKPKSA-N
880	164.15	C9H8O3	CID: 637541	(E)-3-(3-hydroxyphenyl)-2-propenoic acid	KKSDGJDHHZEWEP-SNAWJCMRSA-N
881	164.15	C9H8O3	CID: 637542	(E)-3-(4-hydroxyphenyl)-2-propenoic acid	NGSWKAQJJWESNS-ZZXKWVIFSA-N
882	154.24	C10H18O	CID: 637566	(2E)-3,7-dimethyl-1-octa-2,6-dienol	GLZPCOQZEFWAFX-JXMROGBWSA-N
883	224.21	C11H12O5	CID: 637775	(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid	PCMORTLOPMLEFB-ONEGZZNKSA-N
884	152.23	C10H16O	CID: 638011	(2E)-3,7-dimethylocta-2,6-dienal	WTEVQBCEXWBHNA-JXMROGBWSA-N
885	192.29	C13H20O	CID: 638014	(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)-3-buten-2-one	PSQYTAPXSHCGMF-BQYQJAHWSA-N
886	285.33	C17H19NO3	CID: 638024	(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)-1-penta-2,4-dienone	MXXWOMGUGJBKIW-YPCIICBESA-N
887	326.25	C14H14O9	CID: 641605	(2S,3S)-2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoallyloxy]butanedioic acid	XIWXUSFCUBAMFH-SCBUBVSKSA-N
888	312.22	C13H12O9	CID: 642609	(2S,3S)-2-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoallyloxy]-3-hydroxybutanedioic acid	SWGKAHCIOQPKFW-LOMYTOQZSA-N
889	137.17	C8H11NO	CID: 643217	(1S)-2-amino-1-phenylethanol	ULSIYEODSMZIPX-MRVPVSSYSA-N
890	130.09	C5H6O4	CID: 643798	(Z)-2-methyl-2-butenedioic acid	HNEGQIOMVPPMNR-IHWYPQMZSA-N
891	268.43	C17H32O2	CID: 643801	(Z)-9-hexadecenoic acid methyl ester	IZFGRAGOVZCUFB-HJWRWDBZSA-N
892	154.24	C10H18O	CID: 643820	(2Z)-3,7-dimethyl-1-octa-2,6-dienol	GLZPCOQZEFWAFX-YFHOEESVSA-N
893	785.54	C27H33N9O15P2	CID: 643975	[(2R,3S,4R,5R)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl] hydrogen phosphate	VWWQXMAJTJZDQX-UYBVJOGSSA-N
894	150.12	C5H10O5	CID: 644160	(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal	PYMYPHUHKUWMLA-VPENINKCSA-N
895	238.30	C9H18O5S	CID: 656894	(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(isopropylthio)tetrahydropyran-3,4,5-triol	BPHPUYQFMNQIOC-NXRLNHOXSA-N
896	244.24	C14H12O4	CID: 667639	5-[(E)-2-(3,4-dihydroxyphenyl)vinyl]benzene-1,3-diol	CDRPUGZCRXZLFL-OWOJBTEDSA-N
897	218.25	C12H14N2O2	CID: 676159	(2S)-2-amino-3-(1-methyl-3-indolyl)propanoic acid	ZADWXFSZEAPBJS-JTQLQIEISA-N
898	180.15	C9H8O4	CID: 689043	(E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid	QAIPRVGONGVQAS-DUXPYHPUSA-N
899	271.31	C16H17NO3	CID: 725701	(2S)-2-amino-3-[4-(phenylmethoxy)phenyl]propanoic acid	KAFHLONDOVSENM-HNNXBMFYSA-N
900	138.12	C6H6N2O2	CID: 736715	(E)-3-(1H-imidazol-5-yl)-2-propenoic acid	LOIYMIARKYCTBW-OWOJBTEDSA-N
901	196.28	C12H20O2	CID: 1549026	acetic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester	HIGQPQRQIQDZMP-DHZHZOJOSA-N
902	224.21	C11H12O5	CID: 1549091	(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid	PCMORTLOPMLEFB-ARJAWSKDSA-N
903	180.20	C10H12O3	CID: 1549095	4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenol	JMFRWRFFLBVWSI-NSCUHMNNSA-N
904	222.36	C15H26O	CID: 1549107	(2Z,6Z)-3,7,11-trimethyl-1-dodeca-2,6,10-trienol	CRDAMVZIKSXKFV-FBXUGWQNSA-N
905	180.15	C9H8O4	CID: 1549111	(Z)-3-(3,4-dihydroxyphenyl)-2-propenoic acid	QAIPRVGONGVQAS-RQOWECAXSA-N
906	80.097	C2H5NO2	CID: 2723970	2,2-dideuterio-2-(dideuterioamino)acetic acid deuterio ester	DHMQDGOQFOQNFH-LGLHGEJLSA-N
907	180.15	C6H12O6	CID: 2724552	(2S,3S,4S,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol	LKDRXBCSQODPBY-VANKVMQKSA-N
908	128.21	C8H16O	CID: 2724898	(3S)-1-octen-3-ol	VSMOENVRRABVKN-MRVPVSSYSA-N
909	105.13	C4H11NO2	CID: 2734122	3-(methylamino)propane-1,2-diol	WOMTYMDHLQTCHY-UHFFFAOYSA-N
910	344.31	C12H24O11	CID: 3034828	(3R,4R,5R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]hexane-1,2,3,4,5-pentol	SERLAGPUMNYUCK-BLEZHGCXSA-N
911	103.09	C4H7O3	CID: 3037032	4-hydroxybutanoate	SJZRECIVHVDYJC-UHFFFAOYSA-M
912	210.13	C6H10O8	CID: 3037582	(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid	DSLZVSRJTYRBFB-DUHBMQHGSA-N
913	239.22	C8H17NO7	CID: 3084028	N-[2,4,5-trihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]acetamide hydrate	VVQPUTSNIMAJPT-UHFFFAOYSA-N
914	199.09	C4H10NO6P	CID: 3246323	(2S,3R)-2-amino-3-phosphonooxybutanoic acid	USRGIUJOYOXOQJ-GBXIJSLDSA-N
915	155.10	C6H5NO4	CID: 3505109	4-nitrobenzene-1,2-diol	XJNPNXSISMKQEX-UHFFFAOYSA-N
916	506.45	C18H34O16	CID: 3625615	4-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]hexane-1,2,3,5,6-pentol	XJCCHWKNFMUJFE-UHFFFAOYSA-N
917	190.15	C6H10N2O5	CID: 3679006	2-ureidopentanedioic acid	LCQLHJZYVOQKHU-UHFFFAOYSA-N
918	262.21	C9H14N2O7	CID: 4130574	2-[(2-amino-4-hydroxy-1,4-dioxobutyl)amino]pentanedioic acid	CKAJHWFHHFSCDT-UHFFFAOYSA-N
919	180.15	C6H12O6	CID: 4180364	2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol	KEQUNHIAUQQPAC-UHFFFAOYSA-N
920	342.29	C12H22O11	CID: 4623424	2-(hydroxymethyl)-6-[[2,4,5-trihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]oxy]tetrahydropyran-3,4,5-triol	HIWPGCMGAMJNRG-UHFFFAOYSA-N
921	172.13	C7H8O5	CID: 4635868	3,4-dihydroxy-5-oxo-1-cyclohexenecarboxylic acid	XNEFHYFPRJBTJF-UHFFFAOYSA-N
922	168.23	C10H16O2	CID: 5275520	(2E)-3,7-dimethylocta-2,6-dienoic acid	ZHYZQXUYZJNEHD-VQHVLOKHSA-N
923	299.49	C18H37NO2	CID: 5280335	(E,2S,3R)-2-amino-4-octadecene-1,3-diol	WWUZIQQURGPMPG-KRWOKUGFSA-N
924	410.71	C30H50	CID: 5280370	(14E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene	YYGNTYWPHWGJRM-YMUIKIMESA-N
925	284.26	C16H12O5	CID: 5280373	5,7-dihydroxy-3-(4-methoxyphenyl)-1-benzopyran-4-one	WUADCCWRTIWANL-UHFFFAOYSA-N
926	268.26	C16H12O4	CID: 5280378	7-hydroxy-3-(4-methoxyphenyl)-1-benzopyran-4-one	HKQYGTCOTHHOMP-UHFFFAOYSA-N
927	432.37	C21H20O10	CID: 5280441	5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-1-benzopyran-4-one	SGEWCQFRYRRZDC-VPRICQMDSA-N
928	286.23	C15H10O6	CID: 5280445	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-4-one	IQPNAANSBPBGFQ-UHFFFAOYSA-N
929	280.44	C18H32O2	CID: 5280450	(9Z,12Z)-octadeca-9,12-dienoic acid	OYHQOLUKZRVURQ-HZJYTTRNSA-N
930	115.08	C4H5NO3	CID: 5280451	(Z)-4-amino-4-oxo-2-butenoic acid	FSQQTNAZHBEJLS-UPHRSURJSA-N
931	192.16	C10H8O4	CID: 5280460	7-hydroxy-6-methoxy-1-benzopyran-2-one	RODXRVNMMDRFIK-UHFFFAOYSA-N
932	130.09	C5H6O4	CID: 5280498	(E)-2-pentenedioic acid	XVOUMQNXTGKGMA-OWOJBTEDSA-N
933	210.22	C11H14O4	CID: 5280507	4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenol	LZFOPEXOUVTGJS-ONEGZZNKSA-N
934	178.18	C10H10O3	CID: 5280536	(E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenal	DKZBBWMURDFHNE-NSCUHMNNSA-N
935	176.16	C10H8O3	CID: 5280567	7-hydroxy-4-methyl-1-benzopyran-2-one	HSHNITRMYYLLCV-UHFFFAOYSA-N
936	220.35	C15H24O	CID: 5280598	(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienal	YHRUHBBTQZKMEX-YFVJMOTDSA-N
937	384.63	C27H44O	CID: 5280795	(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexanol	QYSXJUFSXHHAJI-YRZJJWOYSA-N
938	208.21	C11H12O4	CID: 5280802	(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenal	CDICDSOGTRCHMG-ONEGZZNKSA-N
939	464.37	C21H20O12	CID: 5280804	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1-benzopyran-4-one	OVSQVDMCBVZWGM-QSOFNFLRSA-N
940	164.15	C9H8O3	CID: 5280841	(Z)-3-(2-hydroxyphenyl)-2-propenoic acid	PMOWTIHVNWZYFI-WAYWQWQTSA-N
941	286.23	C15H10O6	CID: 5280863	3,5,7-trihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one	IYRMWMYZSQPJKC-UHFFFAOYSA-N
942	354.48	C20H34O5	CID: 5280886	(Z)-7-[(1R,2R,3S,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-5-heptenoic acid	PXGPLTODNUVGFL-ZWAKLXPCSA-N
943	352.46	C20H32O5	CID: 5280887	(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-oxooct-1-enyl]cyclopentyl]-5-heptenoic acid	LOLJEILMPWPILA-AMFHKTBMSA-N
944	278.42	C18H30O2	CID: 5280934	(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid	DTOSIQBPPRVQHS-PDBXOOCHSA-N
945	270.23	C15H10O5	CID: 5280961	5,7-dihydroxy-3-(4-hydroxyphenyl)-1-benzopyran-4-one	TZBJGXHYKVUXJN-UHFFFAOYSA-N
946	460.43	C22H24N2O9	CID: 5280972	(2Z,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione	FYDOORKXBWEKQM-GUQPPTOYSA-N
947	254.23	C15H10O4	CID: 5281607	5,7-dihydroxy-2-phenyl-1-benzopyran-4-one	RTIXKCRFFJGDFG-UHFFFAOYSA-N
948	316.26	C16H12O7	CID: 5281654	3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyran-4-one	IZQSVPBOUDKVDZ-UHFFFAOYSA-N
949	318.23	C15H10O8	CID: 5281672	3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-4-one	IKMDFBPHZNJCSN-UHFFFAOYSA-N
950	302.23	C15H10O7	CID: 5281701	5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-4-one	ARSRJFRKVXALTF-UHFFFAOYSA-N
951	254.23	C15H10O4	CID: 5281708	7-hydroxy-3-(4-hydroxyphenyl)-1-benzopyran-4-one	ZQSIJRDFPHDXIC-UHFFFAOYSA-N
952	284.26	C16H12O5	CID: 5281804	5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-1-benzopyran-4-one	KQMVAGISDHMXJJ-UHFFFAOYSA-N
953	302.19	C14H6O8	CID: 5281855		AFSDNFLWKVMVRB-UHFFFAOYSA-N
954	346.28	C17H14O8	CID: 5281953	3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyran-4-one	UZMAPBJVXOGOFT-UHFFFAOYSA-N
955	347.53	C22H37NO2	CID: 5281969	(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide	LGEQQWMQCRIYKG-DOFZRALJSA-N
956	417.62	C26H43NO3	CID: 5282106	(Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]-9-octadecenamide	QQBPLXNESPTPNU-KTKRTIGZSA-N
957	332.26	C16H12O8	CID: 5282154	2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1-benzopyran-4-one	CFYMYCCYMJIYAB-UHFFFAOYSA-N
958	114.14	C6H10O2	CID: 5282707	(E)-2-hexenoic acid	NIONDZDPPYHYKY-SNAWJCMRSA-N
959	310.51	C20H38O2	CID: 5282768	(Z)-11-icosenoic acid	BITHHVVYSMSWAG-KTKRTIGZSA-N
960	356.53	C21H40O4	CID: 5283468	(Z)-9-octadecenoic acid 2,3-dihydroxypropyl ester	RZRNAYUHWVFMIP-KTKRTIGZSA-N
961	398.66	C28H46O	CID: 5283772	(1S)-3-[(E)-2-[(1R,3aR,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]-1-methylvinyl]-4-methyl-1-cyclohex-3-enol	LSMNSOVKLBDZMU-DUVJLZCRSA-N
962	294.47	C19H34O2	CID: 5284421	(9Z,12Z)-octadeca-9,12-dienoic acid methyl ester	WTTJVINHCBCLGX-NQLNTKRDSA-N
963	97.092	C5H5O2	CID: 5288268	5-methyl-2-furanolate	FNEJQOIAGPBETK-UHFFFAOYSA-M
964	103.11	C4H9NO2	CID: 5288725	(2S)-2-(methylamino)propanoic acid	GDFAOVXKHJXLEI-VKHMYHEASA-N
965	324.18	C9H13N2O9P	CID: 5315131	[(2S,3R,4S,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate	DJJCXFVJDGTHFX-PSQAKQOGSA-N
966	100.15	C6H12O	CID: 5318042	(E)-2-hexen-1-ol	ZCHHRLHTBGRGOT-SNAWJCMRSA-N
967	192.12	C6H8O7	CID: 5318532	(1R,2S)-1-hydroxypropane-1,2,3-tricarboxylic acid	ODBLHEXUDAPZAU-ZAFYKAAXSA-N
968	478.40	C22H22O12	CID: 5318644	5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1-benzopyran-4-one	CQLRUIIRRZYHHS-UVHBULKNSA-N
969	356.53	C21H40O4	CID: 5319879	(Z)-9-octadecenoic acid [2-hydroxy-1-(hydroxymethyl)ethyl] ester	UPWGQKDVAURUGE-KTKRTIGZSA-N
970	296.53	C20H40O	CID: 5320547	(Z)-3,7,11,15-tetramethyl-2-hexadecen-1-ol	BOTWFXYSPFMFNR-HKWRFOASSA-N
971	414.70	C29H50O	CID: 5321342	(3S,10R,13R,17R)-17-(4-ethyl-1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	KZJWDPNRJALLNS-LRWZISJQSA-N
972	412.69	C29H48O	CID: 5321515	(10R,13R)-17-[(E)-4-ethyl-1,5-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	HCXVJBMSMIARIN-JQSSNMPVSA-N
973	242.23	C12H10N4O2	CID: 5326566	7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione	ZJTJUVIJVLLGSP-UHFFFAOYSA-N
974	144.12	C6H8O4	CID: 5351896	(E)-3-hexenedioic acid	YHGNXQAFNHCBTK-OWOJBTEDSA-N
975	384.63	C27H44O	CID: 5353527	(3E)-3-[(2E)-2-[1-(1,5-dimethylhexyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexanol	QYSXJUFSXHHAJI-FWSOMWAYSA-N
976	412.69	C29H48O	CID: 5356634	(5R,8R,9S,10S,13R,14S,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethylhex-2-enyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one	RTLUSWHIKFIQFU-DALQDKCESA-N
977	142.10	C6H6O4	CID: 5356793	(2E,4E)-hexa-2,4-dienedioic acid	TXXHDPDFNKHHGW-ZPUQHVIOSA-N
978	296.48	C19H36O2	CID: 5364509	(Z)-9-octadecenoic acid methyl ester	QYDYPVFESGNLHU-KHPPLWFESA-N
979	272.46	C20H32	CID: 5365927	(6E,8E,10E)-2,6,11,15-tetramethylhexadeca-2,6,8,10,14-pentaene	ZUXCVSSOFQSXFF-LAJGPCJBSA-N
980	296.53	C20H40O	CID: 5366244	(E)-3,7,11,15-tetramethyl-2-hexadecen-1-ol	BOTWFXYSPFMFNR-HMMYKYKNSA-N
981	224.25	C15H12O2	CID: 5367146	(E)-3-(2-hydroxyphenyl)-1-phenyl-2-propen-1-one	UDOOPSJCRMKSGL-ZHACJKMWSA-N
982	143.14	C6H9NO3	CID: 5369191	(E)-4-(ethylamino)-4-oxo-2-butenoic acid	HBQGCOWNLUOCBU-ONEGZZNKSA-N
983	249.31	C16H15N3	CID: 5377207	1-[(Z)-3-indolylidenemethyl]-2-(4-methylphenyl)hydrazine	QMNOEPUUCJHLKA-ACCUITESSA-N
984	198.06	C4H7O7P	CID: 5459862	[(2R,3R)-2,3-dihydroxy-4-oxobutyl] phosphate	NGHMDNPXVRFFGS-IUYQGCFVSA-L
985	210.18	C7H14O7	CID: 5459879	(3S,4R,5R,6R)-1,3,4,5,6,7-hexahydroxy-2-heptanone	HSNZZMHEPUFJNZ-SHUUEZRQSA-N
986	342.29	C12H22O11	CID: 5460022	(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]hexanal	AYRXSINWFIIFAE-YJOKQAJESA-N
987	268.21	C9H16O9	CID: 5460194	(2R)-3-hydroxy-2-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]propanoic acid	DDXCFDOPXBPUJC-SAYMMRJXSA-N
988	210.13	C6H10O8	CID: 5460673	(2S,3R,4R,5R)-2,3,4,5-tetrahydroxyhexanedioic acid	DSLZVSRJTYRBFB-AJSXGEPRSA-N
989	342.29	C12H22O11	CID: 5460935	(3S,4R,5R)-1,4,5,6-tetrahydroxy-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-hexanone	RULSWEULPANCDV-PIXUTMIVSA-N
990	176.16	C7H12O5	CID: 5462261	(2R,3S)-2-hydroxy-3-isopropylbutanedioic acid	RNQHMTFBUSSBJQ-CRCLSJGQSA-N
991	442.37	C22H18O10	CID: 6419835	3,4,5-trihydroxybenzoic acid [(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-chromanyl] ester	LSHVYAFMTMFKBA-CTNGQTDRSA-N
992	365.23	C10H16N5O8P	CID: 6419976	[(2R,3S,4R,5R)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate hydrate	ZOEFQKVADUBYKV-MCDZGGTQSA-N
993	364.65	C14H32O5Si3	CID: 6427169	(3S,4R,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)-2-tetrahydrofuranone	RJMKTJPGOIYTQZ-XQQFMLRXSA-N
994	296.53	C20H40O	CID: 6430833	(Z,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-ol	BOTWFXYSPFMFNR-QYLFUYDXSA-N
995	414.70	C29H50O	CID: 6432744	(3S)-17-(4-ethyl-1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	KZJWDPNRJALLNS-GDQWMHGZSA-N
996	354.30	C16H18O9	CID: 6537496	(1S,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoallyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid	CWVRJTMFETXNAD-VQWGVLBKSA-N
997	303.31	C12H21N3O6	CID: 9882882	(2S)-1-[(3S)-3-[[(3S)-3-amino-4-hydroxy-4-oxobutyl]amino]-4-hydroxy-4-oxobutyl]-2-azetidinecarboxylic acid	KRGPXXHMOXVMMM-CIUDSAMLSA-N
998	306.26	C15H14O7	CID: 9882981	(2S,3R)-2-(3,4,5-trihydroxyphenyl)chromane-3,5,7-triol	XMOCLSLCDHWDHP-DOMZBBRYSA-N
999	93.117	C3H7NO2	CID: 12205373	(2S)-2-amino-2,3,3,3-tetradeuteriopropanoic acid	QNAYBMKLOCPYGJ-IALWIIEESA-N
1000	173.23	C9H11NO2	CID: 13000987	(2S)-2-amino-2,3,3-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid	COLNVLDHVKWLRT-WYMAAGAPSA-N
1001	442.37	C22H18O10	CID: 15689618	3,4,5-trihydroxybenzoic acid [(2R,3S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-chromanyl] ester	LVJJFMLUMNSUFN-LAUBAEHRSA-N
1002	390.38	C17H26O10	CID: 16212335	(1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester	AMBQHHVBBHTQBF-SQSCWSLKSA-N
1003	392.69	C27H46O	CID: 16213400	(3S,8S,9S,10R,13R,14S,17R)-2,2,3,4,4,6-hexadeuterio-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol	HVYWMOMLDIMFJA-HHPLMCQASA-N
1004	183.20	C9H11NO3	CID: 16213445	(2S)-2-amino-3,3-dideuterio-3-(4-hydroxyphenyl)propanoic acid	OUYCCCASQSFEME-KETSZMSZSA-N
1005	192.16	C7H12O6	CID: 16213610	1-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-2-tetrahydropyranyl]ethanone	ZXTKSWFCRRTTMN-PAMBMQIZSA-N
1006	187.19	C6H12O6	CID: 16217112	(2S,3R,4S,5S,6R)-2,3,4,5,6-pentadeuterio-6-[dideuterio(hydroxy)methyl]tetrahydropyran-2,3,4,5-tetrol	WQZGKKKJIJFFOK-KKGCZVNTSA-N
1007	344.31	C12H24O11	CID: 16217663	(2S,3R,4R)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]hexane-1,2,3,5,6-pentol	VQHSOMBJVWLPSR-IOWGVSMYSA-N
1008	142.15	C4H8N2O3	CID: 16217724	(2S)-2,3,3-trideuterio-2,4-bis(dideuterioamino)-4-oxobutanoic acid deuterio ester	DCXYFEDJOCDNAF-VYGMAKJPSA-N
1009	235.19	C8H13NO7	CID: 16218892	(2S,3S,4R,5R)-5-acetamido-3,4,6-trihydroxy-2-tetrahydropyrancarboxylic acid	KSOXQRPSZKLEOR-OEGLBHDSSA-N
1010	358.29	C12H22O12	CID: 16219560	(2R,3R,4R)-2,3,5,6-tetrahydroxy-4-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]hexanoic acid	JYTUSYBCFIZPBE-QLRGDERGSA-N
1011	281.26	C11H15N5O4	CID: 16219662	(5R)-2-(hydroxymethyl)-5-(6-imino-1-methyl-9-purinyl)tetrahydrofuran-3,4-diol	GFYLSDSUCHVORB-DFKYELRASA-N
1012	210.18	C7H14O7	CID: 16219957	(1R,2S,3R,4S,5R)-1-(hydroxymethyl)-7,8-dioxabicyclo[3.2.1]octane-2,3,4-triol hydrate	TXADMKCMMLBFTL-CQJQEINESA-N
1013	194.18	C7H14O6	CID: 17751029	(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-2-methyltetrahydropyran-2,3,4,5-tetrol	YBLJYSTXRAWBBH-VOQCIKJUSA-N

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Last modified 2009-04-10 11:36 AM

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