********************************************************************* ;
* A citation to the MCM website and the relevant mechanism          * ;
* construction protocols should be given in any publication using   * ;
* information obtained from this source, using the following or     * ;
* comparable wording:                                               * ;
* The chemical mechanistic information was taken from the Master    * ;
* Chemical Mechanism, MCM v3.2 (ref), via website:                  * ;
* http://mcm.leeds.ac.uk/MCM.                                       * ;
* The reference should be: (Jenkin et al., Atmos. Environ., 31, 81, * ;
* 1997; Saunders et al., Atmos. Chem. Phys., 3, 161, 2003), for     * ;
* non aromatic schemes; and (Jenkin et al., Atmos. Chem. Phys., 3,  * ;
* 181, 2003; Bloss et al., Atmos. Chem. Phys., 5, 641, 2005), for   * ;
* aromatic schemes.                  * ;
********************************************************************* ;
Molecular weights for species present in the subset mechanism for the following species: 
 CH3OH, 	 MBO, 	 HCHO, 	 CH3CHO, 	 C2H5CHO, 	 C3H7CHO, 	 CH4, 	 NC4H10, 	 IC4H10, 	 NC5H12, 	 IC5H12, 	 BENZENE, 	 TOLUENE, 	 OXYL, 	 EBENZ, 	 TM124B, 	 TM135B, 	 C4H6, 	 C5H8, 	 CH3COCH3, 	 MEK, 	 APINENE, 	 BPINENE, 	 LIMONENE, 	 C2H5OH, 	 NPROPOL, 	 IPROPOL, 	 NBUTOL, 	 BUT2OL, 	 IBUTOL, 	 TBUTOL, 	 PECOH, 	 IPEAOH, 	 ME3BUOL, 	 IPECOH, 	 IPEBOH, 	 CYHEXOL, 	 MIBKAOH, 	 ETHGLY, 	 PROPGLY, 	 IPRCHO, 	 C4H9CHO, 	 ACR, 	 MACR, 	 C4ALDB, 	 C2H6, 	 C3H8, 	 NEOP, 	 NC6H14, 	 M2PE, 	 M3PE, 	 M22C4, 	 M23C4, 	 NC7H16, 	 M2HEX, 	 M3HEX, 	 NC8H18, 	 NC9H20, 	 NC10H22, 	 NC11H24, 	 NC12H26, 	 CHEX, 	 C2H4, 	 C3H6, 	 BUT1ENE, 	 CBUT2ENE, 	 TBUT2ENE, 	 MEPROPENE, 	 PENT1ENE, 	 CPENT2ENE, 	 TPENT2ENE, 	 ME2BUT1ENE, 	 ME3BUT1ENE, 	 ME2BUT2ENE, 	 HEX1ENE, 	 CHEX2ENE, 	 THEX2ENE, 	 DM23BU2ENE, 	 C2H2, 	 MXYL, 	 PXYL, 	 PBENZ, 	 IPBENZ, 	 TM123B, 	 OETHTOL, 	 METHTOL, 	 PETHTOL, 	 DIME35EB, 	 DIET35TOL, 	 STYRENE, 	 BENZAL, 	 CH3CL, 	 CH2CL2, 	 CHCL3, 	 CH3CCL3, 	 TCE, 	 TRICLETH, 	 CDICLETH, 	 TDICLETH, 	 CH2CLCH2CL, 	 CCL2CH2, 	 CL12PROP, 	 CHCL2CH3, 	 CH3CH2CL, 	 CHCL2CHCL2, 	 CH2CLCHCL2, 	 VINCL, 	 CH3OCHO, 	 METHACET, 	 ETHACET, 	 NPROACET, 	 IPROACET, 	 NBUTACET, 	 SBUTACET, 	 TBUACET, 	 CH3OCH3, 	 DIETETHER, 	 MTBE, 	 DIIPRETHER, 	 ETBE, 	 MO2EOL, 	 EOX2EOL, 	 PR2OHMOX, 	 BUOX2ETOH, 	 BOX2PROL, 	 CH3BR, 	 DIBRET, 	 MPRK, 	 DIEK, 	 MIPK, 	 HEX2ONE, 	 HEX3ONE, 	 MIBK, 	 MTBK, 	 CYHEXONE, 	 BCARY, 	 HCOOH, 	 CH3CO2H, 	 PROPACID, 	 DMM, 	 DMC, 	 DMS, 	ETHOX 
 *************************************************************************************** 
 C918NO3 	 O=CCC(=O)C1CC(ON(=O)=O)C1(C)C 	 InChI=1S/C9H13NO5/c1-9(2)6(7(12)3-4-11)5-8(9)15-10(13)14/h4,6,8H,3,5H2,1-2H3 	 215.2032 
 C134CO 	 OCCC(=O)C(=O)C(=O)C(C)(C)C(=O)CCC(=O)C 	 InChI=1S/C13H18O6/c1-8(15)4-5-10(17)13(2,3)12(19)11(18)9(16)6-7-14/h14H,4-7H2,1-3H3 	 270.2784 
 NBUTACET 	 CCCCOC(=O)C 	 InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 	 116.1583 
 C124O2 	 CCCCCCC(=O)C(O[O])CC(=O)CC 	 InChI=1S/C12H21O4/c1-3-5-6-7-8-11(14)12(16-15)9-10(13)4-2/h12H,3-9H2,1-2H3 	 229.2927 
 PROL1MPAN 	 CCC(C)(O)C(=O)OON(=O)=O 	 InChI=1S/C5H9NO6/c1-3-5(2,8)4(7)11-12-6(9)10/h8H,3H2,1-2H3 	 179.1281 
 BCCOOH 	 OCC1(OO)CC\C=C(\C)/CCC2C1CC2(C)C 	 InChI=1S/C15H26O3/c1-11-5-4-8-15(10-16,18-17)13-9-14(2,3)12(13)7-6-11/h5,12-13,16-17H,4,6-10H2,1-3H3/b11-5- 	 254.3651 
 IPRHOCO2H 	 OC(=O)C(C)(C)O 	 InChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6) 	 104.1045 
 TM124NO2O 	 CC1=CC([O])(O)C2(OOC1(C)C2O)N(=O)=O 	 InChI=1S/C8H10NO7/c1-4-3-7(11,12)8(9(13)14)5(10)6(4,2)15-16-8/h3,5,10-11H,1-2H3 	 232.1675 
 C3EODBCO2H 	 CCC(=CC(=O)O)C=O 	 InChI=1S/C6H8O3/c1-2-5(4-7)3-6(8)9/h3-4H,2H2,1H3,(H,8,9) 	 128.1259 
 DMEBPOXMUC 	 CC(=CC(=O)CC)C1OC1(C)C=O 	 InChI=1S/C10H14O3/c1-4-8(12)5-7(2)9-10(3,6-11)13-9/h5-6,9H,4H2,1-3H3 	 182.2164 
 DNMXYOLOOH 	 OOC1(O)C(=C(N(=O)=O)C2(OOC1(C)C2O)N(=O)=O)C 	 InChI=1S/C8H10N2O10/c1-3-4(9(13)14)7(10(15)16)5(11)6(2,19-20-7)8(3,12)18-17/h5,11-12,17H,1-2H3 	 294.1724 
 C4ME2OHNO3 	 O=N(=O)OC(C)(C)C(C)(C)O 	 InChI=1S/C6H13NO4/c1-5(2,8)6(3,4)11-7(9)10/h8H,1-4H3 	 163.1717 
 C920CO3 	 [O]OC(=O)CC1CC(C(=O)CO)C1(C)C 	 InChI=1S/C10H15O5/c1-10(2)6(4-9(13)15-14)3-7(10)8(12)5-11/h6-7,11H,3-5H2,1-2H3 	 215.2231 
 MIPKAO 	 CC(=O)C(C)(C)[O] 	 InChI=1S/C5H9O2/c1-4(6)5(2,3)7/h1-3H3 	 101.1238 
 BUT2OLAO 	 CC([O])C(C)O 	 InChI=1S/C4H9O2/c1-3(5)4(2)6/h3-5H,1-2H3 	 89.1131 
 C623O 	 OCC(C=O)C(C)([O])CO 	 InChI=1S/C6H11O4/c1-6(10,4-9)5(2-7)3-8/h2,5,8-9H,3-4H2,1H3 	 147.1491 
 M3BU2OLOOH 	 OOCC(O)C(C)C 	 InChI=1S/C5H12O3/c1-4(2)5(6)3-8-7/h4-7H,3H2,1-2H3 	 120.1470 
 METLBIPRO2 	 [O]OC1C=CC2(C)OOC1(CC)C2O 	 InChI=1S/C9H13O5/c1-3-9-6(12-11)4-5-8(2,7(9)10)13-14-9/h4-7,10H,3H2,1-2H3 	 201.1965 
 PXYCATECH 	 Cc1ccc(C)c(O)c1O 	 InChI=1S/C8H10O2/c1-5-3-4-6(2)8(10)7(5)9/h3-4,9-10H,1-2H3 	 138.1638 
 M3HEXBNO3 	 CCCC(C)(CC)ON(=O)=O 	 InChI=1S/C7H15NO3/c1-4-6-7(3,5-2)11-8(9)10/h4-6H2,1-3H3 	 161.1989 
 C124OH 	 CCCCCCC(=O)C(O)CC(=O)CC 	 InChI=1S/C12H22O3/c1-3-5-6-7-8-11(14)12(15)9-10(13)4-2/h12,15H,3-9H2,1-2H3 	 214.3013 
 PRCOOMCHO 	 CCCC(=O)OCC=O 	 InChI=1S/C6H10O3/c1-2-3-6(8)9-5-4-7/h4H,2-3,5H2,1H3 	 130.1418 
 PTLQONE 	 O=C1C=CC(=O)C(=C1)C 	 InChI=1S/C7H6O2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3 	 122.1213 
 TM123MUCO 	 OC(C(=O)C)C([O])C1OC1(C)C(=O)C 	 InChI=1S/C9H13O5/c1-4(10)6(12)7(13)8-9(3,14-8)5(2)11/h6-8,12H,1-3H3 	 201.1965 
 C137CO 	 O=CCC(=C)C1CC(C)(C)C1CCC(=O)O 	 InChI=1S/C13H20O3/c1-9(6-7-14)10-8-13(2,3)11(10)4-5-12(15)16/h7,10-11H,1,4-6,8H2,2-3H3,(H,15,16) 	 224.2961 
 MBOAOOH 	 OCC(OO)C(C)(C)O 	 InChI=1S/C5H12O4/c1-5(2,7)4(3-6)9-8/h4,6-8H,3H2,1-2H3 	 136.1464 
 C4M2NO33O 	 O=N(=O)OC(C)C(C)(C)[O] 	 InChI=1S/C5H10NO4/c1-4(5(2,3)7)10-6(8)9/h4H,1-3H3 	 148.1372 
 EPXDLCO2H 	 O=CC1OC1C(=O)O 	 InChI=1S/C4H4O4/c5-1-2-3(8-2)4(6)7/h1-3H,(H,6,7) 	 116.0722 
 BOXCOCOMO 	 CCCC([O])OC(=O)C(=O)C 	 InChI=1S/C7H11O4/c1-3-4-6(9)11-7(10)5(2)8/h6H,3-4H2,1-2H3 	 159.1598 
 ME3BU2OLO 	 [O]CC(O)C(C)C 	 InChI=1S/C5H11O2/c1-4(2)5(7)3-6/h4-5,7H,3H2,1-2H3 	 103.1396 
 CLOHCO3H 	 OOC(=O)C(O)Cl 	 InChI=1S/C2H3ClO4/c3-1(4)2(5)7-6/h1,4,6H 	 126.4958 
 BOXCOCOME 	 CCCCOC(=O)C(=O)C 	 InChI=1S/C7H12O3/c1-3-4-5-10-7(9)6(2)8/h3-5H2,1-2H3 	 144.1684 
 MALDIAL 	 O=CC=CC=O 	 InChI=1S/C4H4O2/c5-3-1-2-4-6/h1-4H 	 84.0734 
 C6PAN21 	 CCC(C)(O)CC(=O)OON(=O)=O 	 InChI=1S/C6H11NO6/c1-3-6(2,9)4-5(8)12-13-7(10)11/h9H,3-4H2,1-2H3 	 193.1546 
 DEMPHOLOOH 	 CCC12OOC(CC)(C=C(C)C2(O)OO)C1O 	 InChI=1S/C11H18O6/c1-4-9-6-7(3)11(13,15-14)10(5-2,8(9)12)17-16-9/h6,8,12-14H,4-5H2,1-3H3 	 246.2570 
 C6PAN23 	 CCCCC(O)C(=O)OON(=O)=O 	 InChI=1S/C6H11NO6/c1-2-3-4-5(8)6(9)12-13-7(10)11/h5,8H,2-4H2,1H3 	 193.1546 
 C6PAN22 	 CCCC(O)CC(=O)OON(=O)=O 	 InChI=1S/C6H11NO6/c1-2-3-5(8)4-6(9)12-13-7(10)11/h5,8H,2-4H2,1H3 	 193.1546 
 HO13C5O2 	 OCCC(O)C(C)O[O] 	 InChI=1S/C5H11O4/c1-4(9-8)5(7)2-3-6/h4-7H,2-3H2,1H3 	 135.1384 
 EBZMUCOOH 	 CCC(=O)C(OO)C(O)C1OC1C=O 	 InChI=1S/C8H12O6/c1-2-4(10)7(14-12)6(11)8-5(3-9)13-8/h3,5-8,11-12H,2H2,1H3 	 204.1773 
 NMETOL1O2 	 [O]Oc1c(CC)cc(C)cc1N(=O)=O 	 InChI=1S/C9H10NO4/c1-3-7-4-6(2)5-8(10(11)12)9(7)14-13/h4-5H,3H2,1-2H3 	 196.1800 
 DMKOHOOH 	 OOC(C(=O)C)C(O)C(=O)C 	 InChI=1S/C6H10O5/c1-3(7)5(9)6(11-10)4(2)8/h5-6,9-10H,1-2H3 	 162.1406 
 C9M2CO6O2 	 CCC(=O)C=C(C)C(O[O])C(=O)CC 	 InChI=1S/C10H15O4/c1-4-8(11)6-7(3)10(14-13)9(12)5-2/h6,10H,4-5H2,1-3H3 	 199.2237 
 IPBZBPR2OH 	 OC1C=CC2(OOC1C2O)C(C)C 	 InChI=1S/C9H14O4/c1-5(2)9-4-3-6(10)7(8(9)11)12-13-9/h3-8,10-11H,1-2H3 	 186.2051 
 MPRK 	 CCCC(=O)C 	 InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3 	 86.1323 
 NOA 	 CC(=O)CON(=O)=O 	 InChI=1S/C3H5NO4/c1-3(5)2-8-4(6)7/h2H2,1H3 	 119.0761 
 BIACETOOH 	 CC(=O)C(=O)COO 	 InChI=1S/C4H6O4/c1-3(5)4(6)2-8-7/h7H,2H2,1H3 	 118.0880 
 HEPTOH 	 CCCCC(O)CC 	 InChI=1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3 	 116.2013 
 C6CO4MEDB 	 O=CC(=O)C(=C(C)C(=O)C=O)CC 	 InChI=1S/C9H10O4/c1-3-7(9(13)5-11)6(2)8(12)4-10/h4-5H,3H2,1-2H3 	 182.1733 
 ACBUONEAO 	 CC(=O)CC([O])OC(=O)C 	 InChI=1S/C6H9O4/c1-4(7)3-6(9)10-5(2)8/h6H,3H2,1-2H3 	 145.1333 
 PEBQONE 	 CCC1=CC(=O)C=CC1=O 	 InChI=1S/C8H8O2/c1-2-6-5-7(9)3-4-8(6)10/h3-5H,2H2,1H3 	 136.1479 
 C42OH 	 O=CC(O)C(O)CON(=O)=O 	 InChI=1S/C4H7NO6/c6-1-3(7)4(8)2-11-5(9)10/h1,3-4,7-8H,2H2 	 165.1015 
 C63NO3 	 CCC(=O)CC(CO)ON(=O)=O 	 InChI=1S/C6H11NO5/c1-2-5(9)3-6(4-8)12-7(10)11/h6,8H,2-4H2,1H3 	 177.1552 
 TBOCOCH2O 	 [O]CC(=O)OC(C)(C)C 	 InChI=1S/C6H11O3/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3 	 131.1497 
 NPETOLO2 	 CCC12OOC(C(=CC2(O)O[O])C)C1ON(=O)=O 	 InChI=1S/C9H12NO8/c1-3-8-7(15-10(12)13)6(16-18-8)5(2)4-9(8,11)17-14/h4,6-7,11H,3H2,1-2H3 	 262.1935 
 NPTLQO 	 O=N(=O)OC1C([O])C(=O)C=C(C)C1=O 	 InChI=1S/C7H6NO6/c1-3-2-4(9)6(11)7(5(3)10)14-8(12)13/h2,6-7H,1H3 	 200.1256 
 C514OH 	 O=CCC(O)CC=O 	 InChI=1S/C5H8O3/c6-3-1-5(8)2-4-7/h3-5,8H,1-2H2 	 116.1152 
 C620O2 	 O=CCC(=O)C(O[O])CC=O 	 InChI=1S/C6H7O5/c7-3-1-5(9)6(11-10)2-4-8/h3-4,6H,1-2H2 	 159.1168 
 ACETC2CO2H 	 OC(=O)CCOC(=O)C 	 InChI=1S/C5H8O4/c1-4(6)9-3-2-5(7)8/h2-3H2,1H3,(H,7,8) 	 132.1146 
 C917NO3 	 O=C1CCC(=O)C(C1)C(C)(C)ON(=O)=O 	 InChI=1S/C9H13NO5/c1-9(2,15-10(13)14)7-5-6(11)3-4-8(7)12/h7H,3-5H2,1-2H3 	 215.2032 
 METHACETO2 	 CC(=O)OCO[O] 	 InChI=1S/C3H5O4/c1-3(4)6-2-7-5/h2H2,1H3 	 105.0694 
 C44O 	 O=CCC([O])C(=O)O 	 InChI=1S/C4H5O4/c5-2-1-3(6)4(7)8/h2-3H,1H2,(H,7,8) 	 117.0801 
 C620OH 	 O=CCC(=O)C(O)CC=O 	 InChI=1S/C6H8O4/c7-3-1-5(9)6(10)2-4-8/h3-5,9H,1-2H2 	 144.1253 
 C711O2 	 CC(O)(CC(=O)CO[O])CC 	 InChI=1S/C7H13O4/c1-3-7(2,9)4-6(8)5-11-10/h9H,3-5H2,1-2H3 	 161.1757 
 CNO3OCL 	 ClC(=O)CON(=O)=O 	 InChI=1S/C2H2ClNO4/c3-2(5)1-8-4(6)7/h1H2 	 139.4946 
 NEBNZOLOOH 	 CCC12OOC(C2ON(=O)=O)C(O)(OO)C=C1 	 InChI=1S/C8H11NO8/c1-2-7-3-4-8(10,16-13)6(15-17-7)5(7)14-9(11)12/h3-6,10,13H,2H2,1H3 	 249.1748 
 C514O2 	 O=CCC(O[O])CC=O 	 InChI=1S/C5H7O4/c6-3-1-5(9-8)2-4-7/h3-5H,1-2H2 	 131.1067 
 NPETOLOH 	 CCC12OOC(C(=CC2(O)O)C)C1ON(=O)=O 	 InChI=1S/C9H13NO7/c1-3-8-7(15-10(13)14)6(16-17-8)5(2)4-9(8,11)12/h4,6-7,11-12H,3H2,1-2H3 	 247.2020 
 C731OOH 	 OOCCC(CC=O)C(=O)C 	 InChI=1S/C7H12O4/c1-6(9)7(2-4-8)3-5-11-10/h4,7,10H,2-3,5H2,1H3 	 160.1678 
 IC3H7O 	 CC(C)[O] 	 InChI=1S/C3H7O/c1-3(2)4/h3H,1-2H3 	 59.0871 
 HO2C54O 	 CC(O)CC(C)[O] 	 InChI=1S/C5H11O2/c1-4(6)3-5(2)7/h4-6H,3H2,1-2H3 	 103.1396 
 C42O2 	 [O]OC(CON(=O)=O)C(O)C=O 	 InChI=1S/C4H6NO7/c6-1-3(7)4(12-10)2-11-5(8)9/h1,3-4,7H,2H2 	 180.0929 
 NC524OOH 	 OCC(ON(=O)=O)C(CO)(CO)OO 	 InChI=1S/C5H11NO8/c7-1-4(13-6(10)11)5(2-8,3-9)14-12/h4,7-9,12H,1-3H2 	 213.1427 
 C51NO324CO 	 CC(=O)CC(=O)CON(=O)=O 	 InChI=1S/C5H7NO5/c1-4(7)2-5(8)3-11-6(9)10/h2-3H2,1H3 	 161.1128 
 C62NO335CO 	 CC(=O)CC(=O)C(C)ON(=O)=O 	 InChI=1S/C6H9NO5/c1-4(8)3-6(9)5(2)12-7(10)11/h5H,3H2,1-2H3 	 175.1394 
 C1011O 	 CC(=O)CCC1C([O])CC1(C)C 	 InChI=1S/C10H17O2/c1-7(11)4-5-8-9(12)6-10(8,2)3/h8-9H,4-6H2,1-3H3 	 169.2408 
 C925OOH 	 OCC(CC(=O)C(=O)C)C(C)(CO)OO 	 InChI=1S/C9H16O6/c1-6(12)8(13)3-7(4-10)9(2,5-11)15-14/h7,10-11,14H,3-5H2,1-2H3 	 220.2197 
 H14CO23C4 	 OCC(=O)C(=O)CO 	 InChI=1S/C4H6O4/c5-1-3(7)4(8)2-6/h5-6H,1-2H2 	 118.0880 
 C624CO 	 CC(=C)C(=O)CCO 	 InChI=1S/C6H10O2/c1-5(2)6(8)3-4-7/h7H,1,3-4H2,2H3 	 114.1424 
 T124CAT1O2 	 [O]Oc1c(C)c(C)cc(C)c1O 	 InChI=1S/C9H11O3/c1-5-4-6(2)8(10)9(12-11)7(5)3/h4,10H,1-3H3 	 167.1818 
 CO24M3C5 	 CC(=O)C(C)C(=O)C 	 InChI=1S/C6H10O2/c1-4(5(2)7)6(3)8/h4H,1-3H3 	 114.1424 
 H3C2C4CO2H 	 OC(=O)CC(O)C(=O)C 	 InChI=1S/C5H8O4/c1-3(6)4(7)2-5(8)9/h4,7H,2H2,1H3,(H,8,9) 	 132.1146 
 CO2C4CHO 	 O=CCCC(=O)C 	 InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h4H,2-3H2,1H3 	 100.1158 
 MIBKBOOH 	 OOC(C(C)C)C(=O)C 	 InChI=1S/C6H12O3/c1-4(2)6(9-8)5(3)7/h4,6,8H,1-3H3 	 132.1577 
 NPETLQO2 	 CCC1=CC(=O)C(C)(O[O])C(ON(=O)=O)C1=O 	 InChI=1S/C9H10NO7/c1-3-5-4-6(11)9(2,17-15)8(7(5)12)16-10(13)14/h4,8H,3H2,1-2H3 	 244.1782 
 C6H5OOH 	 OOc1ccccc1 	 InChI=1S/C6H6O2/c7-8-6-4-2-1-3-5-6/h1-5,7H 	 110.1106 
 C3MDIALO 	 O=CC(C)([O])C=O 	 InChI=1S/C4H5O3/c1-4(7,2-5)3-6/h2-3H,1H3 	 101.0807 
 HEPTO2 	 CCCCC(CC)O[O] 	 InChI=1S/C7H15O2/c1-3-5-6-7(4-2)9-8/h7H,3-6H2,1-2H3 	 131.1928 
 PXYMUCNO3 	 O=CC1OC1(C)C(O)C(ON(=O)=O)C(=O)C 	 InChI=1S/C8H11NO7/c1-4(11)6(16-9(13)14)7(12)8(2)5(3-10)15-8/h3,5-7,12H,1-2H3 	 233.1754 
 H13C43CO3 	 OCCC(C)(O)C(=O)O[O] 	 InChI=1S/C5H9O5/c1-5(8,2-3-6)4(7)10-9/h6,8H,2-3H2,1H3 	 149.1220 
 CHOC4PAN 	 O=CCCCCC(=O)OON(=O)=O 	 InChI=1S/C6H9NO6/c8-5-3-1-2-4-6(9)12-13-7(10)11/h5H,1-4H2 	 191.1388 
 C624NO3 	 [O-][N+](=O)OC(CCO)C(=C)C 	 InChI=1S/C6H11NO4/c1-5(2)6(3-4-8)11-7(9)10/h6,8H,1,3-4H2,2H3 	 161.1558 
 C514O 	 O=CCC([O])CC=O 	 InChI=1S/C5H7O3/c6-3-1-5(8)2-4-7/h3-5H,1-2H2 	 115.1073 
 C1010OOH 	 O=CCCC(=C)C(=O)CC(C)(C)OO 	 InChI=1S/C10H16O4/c1-8(5-4-6-11)9(12)7-10(2,3)14-13/h6,13H,1,4-5,7H2,2-3H3 	 200.2316 
 DIIPRETOH 	 CC(C)OC(C)(C)O 	 InChI=1S/C6H14O2/c1-5(2)8-6(3,4)7/h5,7H,1-4H3 	 118.1742 
 ME2BUOLO 	 CC(O)C(C)(C)[O] 	 InChI=1S/C5H11O2/c1-4(6)5(2,3)7/h4,6H,1-3H3 	 103.1396 
 C4MCODBCO2 	 CC(=O)C=C(C)C(=O)[O] 	 InChI=1S/C6H7O3/c1-4(6(8)9)3-5(2)7/h3H,1-2H3 	 127.1180 
 C4MCODBCO3 	 CC(=CC(=O)C)C(=O)O[O] 	 InChI=1S/C6H7O4/c1-4(3-5(2)7)6(8)10-9/h3H,1-2H3 	 143.1174 
 C46PAN 	 [O-][N+](=O)OOC(=O)C(=C)CCO 	 InChI=1S/C5H7NO6/c1-4(2-3-7)5(8)11-12-6(9)10/h7H,1-3H2 	 177.1122 
 TMB2FUOOH 	 OOC1(C)C(=O)OC(C)C1(C)O 	 InChI=1S/C7H12O5/c1-4-6(2,9)7(3,12-10)5(8)11-4/h4,9-10H,1-3H3 	 176.1672 
 MIBKHO4O 	 [O]CC(=O)CC(C)(C)O 	 InChI=1S/C6H11O3/c1-6(2,9)3-5(8)4-7/h9H,3-4H2,1-2H3 	 131.1497 
 CL2OHCH2O 	 [O]CC(O)(Cl)Cl 	 InChI=1S/C2H3Cl2O2/c3-2(4,6)1-5/h6H,1H2 	 129.9500 
 H3C25CCO3H 	 OOC(=O)CC(=O)CC(O)C(=O)C 	 InChI=1S/C7H10O6/c1-4(8)6(10)2-5(9)3-7(11)13-12/h6,10,12H,2-3H2,1H3 	 190.1507 
 ETBEAOH 	 CCOC(C)(C)CO 	 InChI=1S/C6H14O2/c1-4-8-6(2,3)5-7/h7H,4-5H2,1-3H3 	 118.1742 
 C126NO3 	 O=CCC1C(CC1(C)C)C(=C)CCO[N+](=O)[O-] 	 InChI=1S/C12H19NO4/c1-9(5-7-17-13(15)16)10-8-12(2,3)11(10)4-6-14/h6,10-11H,1,4-5,7-8H2,2-3H3 	 241.2836 
 ETBEAO2 	 CCOC(C)(C)CO[O] 	 InChI=1S/C6H13O3/c1-4-8-6(2,3)5-9-7/h4-5H2,1-3H3 	 133.1656 
 HM22C4O 	 [O]CCC(C)(C)CO 	 InChI=1S/C6H13O2/c1-6(2,5-8)3-4-7/h8H,3-5H2,1-2H3 	 117.1662 
 C823OOH 	 OOCC(CCC(=O)O)C(=C)C 	 InChI=1S/C8H14O4/c1-6(2)7(5-12-11)3-4-8(9)10/h7,11H,1,3-5H2,2H3,(H,9,10) 	 174.1944 
 C616O2 	 O=CCCC(=O)C(O[O])C=O 	 InChI=1S/C6H7O5/c7-3-1-2-5(9)6(4-8)11-10/h3-4,6H,1-2H2 	 159.1168 
 C88OOH 	 OOC1C(=O)CCC(=O)C1(C)C 	 InChI=1S/C8H12O4/c1-8(2)6(10)4-3-5(9)7(8)12-11/h7,11H,3-4H2,1-2H3 	 172.1785 
 C1013CO2H 	 COC(=O)CCC1C(CC1(C)C)C(=O)O 	 InChI=1S/C11H18O4/c1-11(2)6-7(10(13)14)8(11)4-5-9(12)15-3/h7-8H,4-6H2,1-3H3,(H,13,14) 	 214.2582 
 DIIPRETO2 	 [O]OC(C)(C)OC(C)C 	 InChI=1S/C6H13O3/c1-5(2)8-6(3,4)9-7/h5H,1-4H3 	 133.1656 
 PGLOOB 	 [O-][O+]=CC(=O)CCC 	 InChI=1S/C5H8O3/c1-2-3-5(6)4-8-7/h4H,2-3H2,1H3 	 116.1152 
 MMALANHY 	 O=C1C=C(C)C(=O)O1 	 InChI=1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h2H,1H3 	 112.0835 
 C312COCO3H 	 OOC(=O)CC(=O)C=O 	 InChI=1S/C4H4O5/c5-2-3(6)1-4(7)9-8/h2,8H,1H2 	 132.0716 
 MEK2OO 	 [O-][O+]=C(C)C(=O)C 	 InChI=1S/C4H6O3/c1-3(5)4(2)7-6/h1-2H3 	 102.0886 
 C7EDCOOH 	 OOC(C(=O)C)C(O)C(=O)CC 	 InChI=1S/C7H12O5/c1-3-5(9)6(10)7(12-11)4(2)8/h6-7,10-11H,3H2,1-2H3 	 176.1672 
 NMXYQO2 	 [O]OC1(C)C(ON(=O)=O)C(=O)C=C(C)C1=O 	 InChI=1S/C8H8NO7/c1-4-3-5(10)7(15-9(12)13)8(2,16-14)6(4)11/h3,7H,1-2H3 	 230.1516 
 PXYL1O2 	 [O]Oc1ccc(C)cc1 	 InChI=1S/C7H7O2/c1-6-2-4-7(9-8)5-3-6/h2-5H,1H3 	 123.1293 
 C827OOH 	 OOC(C)(C)C(=O)CCC(=O)C 	 InChI=1S/C8H14O4/c1-6(9)4-5-7(10)8(2,3)12-11/h11H,4-5H2,1-3H3 	 174.1944 
 NDNPBZLOOH 	 CCCC12OOC(C=C(N(=O)=O)C2(O)OO)(N(=O)=O)C1ON(=O)=O 	 InChI=1S/C9H11N3O12/c1-2-3-7-6(21-12(18)19)8(11(16)17,24-23-7)4-5(10(14)15)9(7,13)22-20/h4,6,13,20H,2-3H2,1H3 	 353.1965 
 CO23C5 	 CCC(=O)C(=O)C 	 InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3 	 100.1158 
 CO23C6 	 CCCC(=O)C(=O)C 	 InChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4H2,1-2H3 	 114.1424 
 TOL1O 	 Cc1ccccc1[O] 	 InChI=1S/C7H7O/c1-6-4-2-3-5-7(6)8/h2-5H,1H3 	 107.1299 
 CH3SOO2 	 CS(=O)O[O] 	 InChI=1S/CH3O3S/c1-5(3)4-2/h1H3 	 95.0977 
 IPROPOLPER 	 OOC(=O)C(C)O 	 InChI=1S/C3H6O4/c1-2(4)3(5)7-6/h2,4,6H,1H3 	 106.0773 
 NDNPETLOOH 	 CCC12OOC(N(=O)=O)(C(=C(N(=O)=O)C2(O)OO)C)C1ON(=O)=O 	 InChI=1S/C9H11N3O12/c1-3-7-6(21-12(18)19)8(11(16)17,24-23-7)4(2)5(10(14)15)9(7,13)22-20/h6,13,20H,3H2,1-2H3 	 353.1965 
 C61O 	 CC(=O)CC([O])C(C)O 	 InChI=1S/C6H11O3/c1-4(7)3-6(9)5(2)8/h5-6,8H,3H2,1-2H3 	 131.1497 
 C3NO3COOOH 	 OOCC(=O)CON(=O)=O 	 InChI=1S/C3H5NO6/c5-3(2-10-8)1-9-4(6)7/h8H,1-2H2 	 151.0749 
 C1312O 	 O=CCCC(=C)C(=O)CC(C)(C)C([O])CCO 	 InChI=1S/C13H21O4/c1-10(5-4-7-14)11(16)9-13(2,3)12(17)6-8-15/h7,12,15H,1,4-6,8-9H2,2-3H3 	 241.3034 
 PROL1MCO3 	 CC(O)(CC)C(=O)O[O] 	 InChI=1S/C5H9O4/c1-3-5(2,7)4(6)9-8/h7H,3H2,1-2H3 	 133.1226 
 CH3CHOHCHO 	 CC(O)C=O 	 InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3 	 74.0785 
 C78O 	 CC(=O)C([O])CC(C)(C)O 	 InChI=1S/C7H13O3/c1-5(8)6(9)4-7(2,3)10/h6,10H,4H2,1-3H3 	 145.1763 
 MNO3COC4O 	 CCC([O])CC(=O)CON(=O)=O 	 InChI=1S/C6H10NO5/c1-2-5(8)3-6(9)4-12-7(10)11/h5H,2-4H2,1H3 	 176.1473 
 ISOPDO2 	 OCC(O[O])C(=C)C 	 InChI=1S/C5H9O3/c1-4(2)5(3-6)8-7/h5-6H,1,3H2,2H3 	 117.1232 
 MACRNB 	 O=CC(C)(O)CON(=O)=O 	 InChI=1S/C4H7NO5/c1-4(7,2-6)3-10-5(8)9/h2,7H,3H2,1H3 	 149.1021 
 COHM2CO3H 	 CC(O)(C=O)C(=O)OO 	 InChI=1S/C4H6O5/c1-4(7,2-5)3(6)9-8/h2,7-8H,1H3 	 134.0874 
 TL4OHNO2O2 	 [O]OC1(O)C(=CC2(C)OOC1C2O)N(=O)=O 	 InChI=1S/C7H8NO8/c1-6-2-3(8(11)12)7(10,15-13)5(4(6)9)14-16-6/h2,4-5,9-10H,1H3 	 234.1403 
 PHIC3O 	 CC(C)([O])c1ccccc1 	 InChI=1S/C9H11O/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3 	 135.1830 
 OTNCATECO 	 CCC1=C(O)C([O])(O)C2(OOC1(C)C2O)N(=O)=O 	 InChI=1S/C9H12NO8/c1-3-4-5(11)9(13,14)8(10(15)16)6(12)7(4,2)17-18-8/h6,11-13H,3H2,1-2H3 	 262.1935 
 OTNCATECH 	 CCc1c(C)cc(N(=O)=O)c(O)c1O 	 InChI=1S/C9H11NO4/c1-3-6-5(2)4-7(10(13)14)9(12)8(6)11/h4,11-12H,3H2,1-2H3 	 197.1879 
 DM124O 	 [O]c1ccc(C)c(C)c1 	 InChI=1S/C8H9O/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3 	 121.1565 
 PTCATEC1O 	 CCc1ccc(C)c(O)c1[O] 	 InChI=1S/C9H11O2/c1-3-7-5-4-6(2)8(10)9(7)11/h4-5,10H,3H2,1-2H3 	 151.1824 
 DMMBO2 	 COC(OC)O[O] 	 InChI=1S/C3H7O4/c1-5-3(6-2)7-4/h3H,1-2H3 	 107.0853 
 MTBKNO3 	 O=N(=O)OCC(C)(C)C(=O)C 	 InChI=1S/C6H11NO4/c1-5(8)6(2,3)4-11-7(9)10/h4H2,1-3H3 	 161.1558 
 NISOPNO3 	 CC(=CCON(=O)=O)CON(=O)=O 	 InChI=1S/C5H8N2O6/c1-5(4-13-7(10)11)2-3-12-6(8)9/h2H,3-4H2,1H3 	 192.1268 
 HNC524CO 	 OCC(ON(=O)=O)C(O)(CO)C=O 	 InChI=1S/C5H9NO7/c7-1-4(13-6(11)12)5(10,2-8)3-9/h2,4,7,9-10H,1,3H2 	 195.1275 
 C720O 	 CC1=CCC([O])CC1O 	 InChI=1S/C7H11O2/c1-5-2-3-6(8)4-7(5)9/h2,6-7,9H,3-4H2,1H3 	 127.1610 
 C139NO3 	 OCCC(=C)C1(OO[N+](=O)[O-])CC(C)(C)C1CCC(=O)O 	 InChI=1S/C13H21NO7/c1-9(6-7-15)13(20-21-14(18)19)8-12(2,3)10(13)4-5-11(16)17/h10,15H,1,4-8H2,2-3H3,(H,16,17) 	 303.3083 
 H3M3C5CHO 	 CC(O)(CCC=O)CC 	 InChI=1S/C7H14O2/c1-3-7(2,9)5-4-6-8/h6,9H,3-5H2,1-2H3 	 130.1849 
 C5ONO34OOH 	 OOC(C)C(ON(=O)=O)C(=O)C 	 InChI=1S/C5H9NO6/c1-3(7)5(4(2)12-10)11-6(8)9/h4-5,10H,1-2H3 	 179.1281 
 IPECO 	 CCC(C)(C)[O] 	 InChI=1S/C5H11O/c1-4-5(2,3)6/h4H2,1-3H3 	 87.1402 
 IPROACET 	 CC(C)OC(=O)C 	 InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3 	 102.1317 
 HODMSO2 	 [O]OS(C)(C)O 	 InChI=1S/C2H7O3S/c1-6(2,4)5-3/h4H,1-2H3 	 111.1402 
 NMXYOL1O2 	 [O]Oc1c(C)cc(C)cc1N(=O)=O 	 InChI=1S/C8H8NO4/c1-5-3-6(2)8(13-12)7(4-5)9(10)11/h3-4H,1-2H3 	 182.1534 
 METLOBPROH 	 CCC12OOC(C)(C=CC1=O)C2O 	 InChI=1S/C9H12O4/c1-3-9-6(10)4-5-8(2,7(9)11)12-13-9/h4-5,7,11H,3H2,1-2H3 	 184.1892 
 DMMBOH 	 COC(O)OC 	 InChI=1S/C3H8O3/c1-5-3(4)6-2/h3-4H,1-2H3 	 92.0938 
 NPHENOOH 	 OOC1(O)C=CC2OOC1C2ON(=O)=O 	 InChI=1S/C6H7NO8/c8-6(15-11)2-1-3-4(12-7(9)10)5(6)14-13-3/h1-5,8,11H 	 221.1217 
 SBUACONEO 	 CC(=O)OC(C)([O])C(=O)C 	 InChI=1S/C6H9O4/c1-4(7)6(3,9)10-5(2)8/h1-3H3 	 145.1333 
 HO1C3O2 	 OCCCO[O] 	 InChI=1S/C3H7O3/c4-2-1-3-6-5/h4H,1-3H2 	 91.0859 
 C57NO3 	 OCC(O)C(C)(C=O)ON(=O)=O 	 InChI=1S/C5H9NO6/c1-5(3-8,4(9)2-7)12-6(10)11/h3-4,7,9H,2H2,1H3 	 179.1281 
 C1313NO3 	 O=CCCC(CO)(O[N+](=O)[O-])C1CC(C)(C)C1CC=O 	 InChI=1S/C13H21NO6/c1-12(2)8-11(10(12)4-7-16)13(9-17,5-3-6-15)20-14(18)19/h6-7,10-11,17H,3-5,8-9H2,1-2H3 	 287.3089 
 HEXBOH 	 CCCCC(C)O 	 InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3 	 102.1748 
 M3HEXAO2 	 CCC(C)CC(C)O[O] 	 InChI=1S/C7H15O2/c1-4-6(2)5-7(3)9-8/h6-7H,4-5H2,1-3H3 	 131.1928 
 ETOHOCHO 	 OCCOC=O 	 InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2 	 90.0779 
 C51CO2H 	 OC(=O)CC(C)C(=O)C 	 InChI=1S/C6H10O3/c1-4(5(2)7)3-6(8)9/h4H,3H2,1-2H3,(H,8,9) 	 130.1418 
 C117NO3 	 OCCC(=O)C1(O[N+](=O)[O-])CC(C)(C)C1CC=O 	 InChI=1S/C11H17NO6/c1-10(2)7-11(18-12(16)17,8(10)3-5-13)9(15)4-6-14/h5,8,14H,3-4,6-7H2,1-2H3 	 259.2558 
 C112O 	 CCCCCCC(O)CC(=O)C(C)[O] 	 InChI=1S/C11H21O3/c1-3-4-5-6-7-10(13)8-11(14)9(2)12/h9-10,13H,3-8H2,1-2H3 	 201.2826 
 BCALBCO 	 O=CCCC(=C)C1CC(C)(C)C1CCC(=O)C=O 	 InChI=1S/C15H22O3/c1-11(5-4-8-16)13-9-15(2,3)14(13)7-6-12(18)10-17/h8,10,13-14H,1,4-7,9H2,2-3H3 	 250.3334 
 IPBZMUCOH 	 O=CC1OC1C(O)C(O)C(=O)C(C)C 	 InChI=1S/C9H14O5/c1-4(2)6(11)7(12)8(13)9-5(3-10)14-9/h3-5,7-9,12-13H,1-2H3 	 202.2045 
 C9M2CO6OH 	 CCC(=O)C=C(C)C(O)C(=O)CC 	 InChI=1S/C10H16O3/c1-4-8(11)6-7(3)10(13)9(12)5-2/h6,10,13H,4-5H2,1-3H3 	 184.2322 
 H3M3C5NO3 	 CCC(C)(O)CCON(=O)=O 	 InChI=1S/C6H13NO4/c1-3-6(2,8)4-5-11-7(9)10/h8H,3-5H2,1-2H3 	 163.1717 
 C152OOH 	 O=CCCC(CO)(OO)C1CC(C)(C)C1CCC(=O)OC 	 InChI=1S/C15H26O6/c1-14(2)9-12(11(14)5-6-13(18)20-3)15(10-17,21-19)7-4-8-16/h8,11-12,17,19H,4-7,9-10H2,1-3H3 	 302.3633 
 CO235C6CHO 	 O=CCC(=O)CC(=O)C(=O)C 	 InChI=1S/C7H8O4/c1-5(9)7(11)4-6(10)2-3-8/h3H,2,4H2,1H3 	 156.1360 
 NPHENO 	 O=N(=O)OC1C2OOC1C([O])(O)C=C2 	 InChI=1S/C6H6NO7/c8-6(9)2-1-3-4(12-7(10)11)5(6)14-13-3/h1-5,8H 	 204.1143 
 C3PAN2 	 O=CCC(=O)OON(=O)=O 	 InChI=1S/C3H3NO6/c5-2-1-3(6)9-10-4(7)8/h2H,1H2 	 149.0590 
 C3PAN1 	 OCCC(=O)OON(=O)=O 	 InChI=1S/C3H5NO6/c5-2-1-3(6)9-10-4(7)8/h5H,1-2H2 	 151.0749 
 IPBZMUCO2 	 O=CC1OC1C(O)C(O[O])C(=O)C(C)C 	 InChI=1S/C9H13O6/c1-4(2)6(11)9(15-13)7(12)8-5(3-10)14-8/h3-5,7-9,12H,1-2H3 	 217.1959 
 NBUTOLBO 	 OCCC(C)[O] 	 InChI=1S/C4H9O2/c1-4(6)2-3-5/h4-5H,2-3H2,1H3 	 89.1131 
 HO13C3CO3H 	 OCCC(O)C(=O)OO 	 InChI=1S/C4H8O5/c5-2-1-3(6)4(7)9-8/h3,5-6,8H,1-2H2 	 136.1033 
 PE1ENEBO2 	 CCCC(O)CO[O] 	 InChI=1S/C5H11O3/c1-2-3-5(6)4-8-7/h5-6H,2-4H2,1H3 	 119.1390 
 C82OOH 	 CCC(=O)CC(OO)C(O)CC 	 InChI=1S/C8H16O4/c1-3-6(9)5-8(12-11)7(10)4-2/h7-8,10-11H,3-5H2,1-2H3 	 176.2102 
 HEXBO2 	 CC(CCCC)O[O] 	 InChI=1S/C6H13O2/c1-3-4-5-6(2)8-7/h6H,3-5H2,1-2H3 	 117.1662 
 M3HEXAOH 	 CCC(C)CC(C)O 	 InChI=1S/C7H16O/c1-4-6(2)5-7(3)8/h6-8H,4-5H2,1-3H3 	 116.2013 
 C716OOH 	 O=CCC(=O)CC(OO)C(=O)C 	 InChI=1S/C7H10O5/c1-5(9)7(12-11)4-6(10)2-3-8/h3,7,11H,2,4H2,1H3 	 174.1513 
 HMVKBO 	 CC(=O)C([O])CO 	 InChI=1S/C4H7O3/c1-3(6)4(7)2-5/h4-5H,2H2,1H3 	 103.0966 
 C83COOHOOH 	 CCCC(=O)C(OO)C(O)C(=O)C=O 	 InChI=1S/C8H12O6/c1-2-3-5(10)8(14-13)7(12)6(11)4-9/h4,7-8,12-13H,2-3H2,1H3 	 204.1773 
 CH3NO3 	 CON(=O)=O 	 InChI=1S/CH3NO3/c1-5-2(3)4/h1H3 	 77.0394 
 EPXMC4DIAL 	 O=CC1OC1(C)C=O 	 InChI=1S/C5H6O3/c1-5(3-7)4(2-6)8-5/h2-4H,1H3 	 114.0993 
 MTBEBOH 	 OCC(C)(C)OC 	 InChI=1S/C5H12O2/c1-5(2,4-6)7-3/h6H,4H2,1-3H3 	 104.1476 
 HMVKANO3 	 O=N(=O)OCC(O)C(=O)C 	 InChI=1S/C4H7NO5/c1-3(6)4(7)2-10-5(8)9/h4,7H,2H2,1H3 	 149.1021 
 CO2OH3MPAN 	 O=N(=O)OOC(=O)C(C)(O)C(=O)C 	 InChI=1S/C5H7NO7/c1-3(7)5(2,9)4(8)12-13-6(10)11/h9H,1-2H3 	 193.1116 
 NC4IPDCO2 	 O=CC(=C(C(C)C)C(=O)[O])N(=O)=O 	 InChI=1S/C7H8NO5/c1-4(2)6(7(10)11)5(3-9)8(12)13/h3-4H,1-2H3 	 186.1421 
 HOACETETO2 	 [O]OC(C)OC(=O)CO 	 InChI=1S/C4H7O5/c1-3(9-7)8-4(6)2-5/h3,5H,2H2,1H3 	 135.0954 
 C151OH 	 OCC(O)(CCC(=O)O)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C15H26O5/c1-10(17)4-5-11-12(8-14(11,2)3)15(20,9-16)7-6-13(18)19/h11-12,16,20H,4-9H2,1-3H3,(H,18,19) 	 286.3639 
 C151O2 	 OCC(O[O])(CCC(=O)O)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C15H25O6/c1-10(17)4-5-11-12(8-14(11,2)3)15(9-16,21-20)7-6-13(18)19/h11-12,16H,4-9H2,1-3H3,(H,18,19) 	 301.3554 
 ISOPCO2 	 [O]OCC(=CCO)C 	 InChI=1S/C5H9O3/c1-5(2-3-6)4-8-7/h2,6H,3-4H2,1H3 	 117.1232 
 NC4OHCO3 	 [O]OC(=O)C(ON(=O)=O)C(C)(C)O 	 InChI=1S/C5H8NO7/c1-5(2,8)3(4(7)13-11)12-6(9)10/h3,8H,1-2H3 	 194.1195 
 C629OOH 	 OCCC(OO)(C=O)C(=O)C 	 InChI=1S/C6H10O5/c1-5(9)6(4-8,11-10)2-3-7/h4,7,10H,2-3H2,1H3 	 162.1406 
 BPINBO2 	 [O]OCC1(O)CCC2CC1C2(C)C 	 InChI=1S/C10H17O3/c1-9(2)7-3-4-10(11,6-13-12)8(9)5-7/h7-8,11H,3-6H2,1-2H3 	 185.2402 
 MIBKCOOHO2 	 CC(O)(CO[O])C(=O)C(=O)C 	 InChI=1S/C6H9O5/c1-4(7)5(8)6(2,9)3-11-10/h9H,3H2,1-2H3 	 161.1327 
 H2M2C4CO2H 	 OC(=O)CCC(C)(C)O 	 InChI=1S/C6H12O3/c1-6(2,9)4-3-5(7)8/h9H,3-4H2,1-2H3,(H,7,8) 	 132.1577 
 C134O 	 OCCC(=O)C(=O)C([O])C(C)(C)C(=O)CCC(=O)C 	 InChI=1S/C13H19O6/c1-8(15)4-5-10(17)13(2,3)12(19)11(18)9(16)6-7-14/h12,14H,4-7H2,1-3H3 	 271.2864 
 C817CO3 	 [O]OC(=O)CC(CCC(=O)C)C(=O)C 	 InChI=1S/C9H13O5/c1-6(10)3-4-8(7(2)11)5-9(12)14-13/h8H,3-5H2,1-2H3 	 201.1965 
 MTBEBO2 	 [O]OCC(C)(C)OC 	 InChI=1S/C5H11O3/c1-5(2,7-3)4-8-6/h4H2,1-3H3 	 119.1390 
 C917O 	 O=C1CCC(=O)C(C1)C(C)(C)[O] 	 InChI=1S/C9H13O3/c1-9(2,12)7-5-6(10)3-4-8(7)11/h7H,3-5H2,1-2H3 	 169.1977 
 ACPRONEOH 	 CC(=O)OC(O)C(=O)C 	 InChI=1S/C5H8O4/c1-3(6)5(8)9-4(2)7/h5,8H,1-2H3 	 132.1146 
 DMC 	 COC(=O)OC 	 InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3 	 90.0779 
 C920CO3H 	 OOC(=O)CC1CC(C(=O)CO)C1(C)C 	 InChI=1S/C10H16O5/c1-10(2)6(4-9(13)15-14)3-7(10)8(12)5-11/h6-7,11,14H,3-5H2,1-2H3 	 216.2310 
 LIMCOH 	 OCC(C)(O)C1CCC(=CC1)C 	 InChI=1S/C10H18O2/c1-8-3-5-9(6-4-8)10(2,12)7-11/h3,9,11-12H,4-7H2,1-2H3 	 170.2487 
 MO2EOLB2OH 	 OCOCCO 	 InChI=1S/C3H8O3/c4-1-2-6-3-5/h4-5H,1-3H2 	 92.0938 
 C7M3CO 	 CC(=O)C=C(C)C(=O)C(=O)C 	 InChI=1S/C8H10O3/c1-5(4-6(2)9)8(11)7(3)10/h4H,1-3H3 	 154.1632 
 DMM 	 COCOC 	 InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3 	 76.0944 
 DMS 	 CSC 	 InChI=1S/C2H6S/c1-3-2/h1-2H3 	 62.1340 
 C6PAN20 	 O=N(=O)OOC(=O)CC(O)C(C)C 	 InChI=1S/C6H11NO6/c1-4(2)5(8)3-6(9)12-13-7(10)11/h4-5,8H,3H2,1-2H3 	 193.1546 
 C71O2 	 CCC(O)CC(=O)C(C)O[O] 	 InChI=1S/C7H13O4/c1-3-6(8)4-7(9)5(2)11-10/h5-6,8H,3-4H2,1-2H3 	 161.1757 
 PXYFUOOH 	 OOC1(C)C(O)COC1=O 	 InChI=1S/C5H8O5/c1-5(10-8)3(6)2-9-4(5)7/h3,6,8H,2H2,1H3 	 148.1140 
 C735OOA 	 O=CCC(CC=O)C(=[O+][O-])C 	 InChI=1S/C7H10O4/c1-6(11-10)7(2-4-8)3-5-9/h4-5,7H,2-3H2,1H3 	 158.1519 
 MO2EOLBO 	 [O]COCCO 	 InChI=1S/C3H7O3/c4-1-2-6-3-5/h4H,1-3H2 	 91.0859 
 C735OOH 	 O=CCC(OO)(CC=O)C(=O)C 	 InChI=1S/C7H10O5/c1-6(10)7(12-11,2-4-8)3-5-9/h4-5,11H,2-3H2,1H3 	 174.1513 
 ACPRONEO2 	 [O]OC(OC(=O)C)C(=O)C 	 InChI=1S/C5H7O5/c1-3(6)5(10-8)9-4(2)7/h5H,1-2H3 	 147.1061 
 CATEC1O 	 [O]c1ccccc1O 	 InChI=1S/C6H5O2/c7-5-3-1-2-4-6(5)8/h1-4,7H 	 109.1027 
 LIMCO2 	 OCC(C)(O[O])C1CCC(=CC1)C 	 InChI=1S/C10H17O3/c1-8-3-5-9(6-4-8)10(2,7-11)13-12/h3,9,11H,4-7H2,1-2H3 	 185.2402 
 C8M2CO6OH 	 CCC(=O)C=C(C)C(O)C(=O)C 	 InChI=1S/C9H14O3/c1-4-8(11)5-6(2)9(12)7(3)10/h5,9,12H,4H2,1-3H3 	 170.2057 
 TM123BO 	 [O]Cc1cccc(C)c1C 	 InChI=1S/C9H11O/c1-7-4-3-5-9(6-10)8(7)2/h3-5H,6H2,1-2H3 	 135.1830 
 PETCATECH 	 CCc1ccc(C)c(O)c1O 	 InChI=1S/C9H12O2/c1-3-7-5-4-6(2)8(10)9(7)11/h4-5,10-11H,3H2,1-2H3 	 152.1904 
 CO25C6CO2H 	 CC(=O)CCC(=O)CC(=O)O 	 InChI=1S/C7H10O4/c1-5(8)2-3-6(9)4-7(10)11/h2-4H2,1H3,(H,10,11) 	 158.1519 
 NDNT124LO 	 O=N(=O)OC1(C)C2(OOC1(C)C([O])(O)C(=C2C)N(=O)=O)N(=O)=O 	 InChI=1S/C9H10N3O11/c1-4-5(10(15)16)9(13,14)7(3)6(2,21-12(19)20)8(4,11(17)18)23-22-7/h13H,1-3H3 	 336.1892 
 PETLMUCO2H 	 CC1(OC1C(=O)O)C=CC(=O)CC 	 InChI=1S/C9H12O4/c1-3-6(10)4-5-9(2)7(13-9)8(11)12/h4-5,7H,3H2,1-2H3,(H,11,12) 	 184.1892 
 C88PAN 	 O=N(=O)OOC(=O)C1C(=O)CCC(=O)C1(C)C 	 InChI=1S/C9H11NO7/c1-9(2)6(12)4-3-5(11)7(9)8(13)16-17-10(14)15/h7H,3-4H2,1-2H3 	 245.1861 
 BIACETO 	 CC(=O)C(=O)C[O] 	 InChI=1S/C4H5O3/c1-3(6)4(7)2-5/h2H2,1H3 	 101.0807 
 ACEC2CHO 	 O=CCCOC(=O)C 	 InChI=1S/C5H8O3/c1-5(7)8-4-2-3-6/h3H,2,4H2,1H3 	 116.1152 
 C822PAN 	 O=CCC(CCC(=O)OO[N+](=O)[O-])C(=C)C 	 InChI=1S/C9H13NO6/c1-7(2)8(5-6-11)3-4-9(12)15-16-10(13)14/h6,8H,1,3-5H2,2H3 	 231.2026 
 C89NO3 	 O=CCC1CC(ON(=O)=O)C1(C)C 	 InChI=1S/C8H13NO4/c1-8(2)6(3-4-10)5-7(8)13-9(11)12/h4,6-7H,3,5H2,1-2H3 	 187.1931 
 C720OH 	 CC1=CCC(O)CC1O 	 InChI=1S/C7H12O2/c1-5-2-3-6(8)4-7(5)9/h2,6-9H,3-4H2,1H3 	 128.1690 
 C121OOH 	 CCCCCCCC(OO)CC(=O)CC 	 InChI=1S/C12H24O3/c1-3-5-6-7-8-9-12(15-14)10-11(13)4-2/h12,14H,3-10H2,1-2H3 	 216.3172 
 BCALBOOH 	 O=CCCC(=C)C1CC(C)(C)C1CCC(=O)COO 	 InChI=1S/C15H24O4/c1-11(5-4-8-16)13-9-15(2,3)14(13)7-6-12(17)10-19-18/h8,13-14,18H,1,4-7,9-10H2,2-3H3 	 268.3487 
 C5MDICARB 	 O=CC(=CC(=O)C)C 	 InChI=1S/C6H8O2/c1-5(4-7)3-6(2)8/h3-4H,1-2H3 	 112.1265 
 C720O2 	 [O]OC1CC=C(C)C(O)C1 	 InChI=1S/C7H11O3/c1-5-2-3-6(10-9)4-7(5)8/h2,6-8H,3-4H2,1H3 	 143.1604 
 MCATECHOL 	 Oc1c(C)cccc1O 	 InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3 	 124.1372 
 C1011CO3H 	 OOC(=O)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C11H18O4/c1-7(12)4-5-9-8(10(13)15-14)6-11(9,2)3/h8-9,14H,4-6H2,1-3H3 	 214.2582 
 C617PAN 	 O=CC(C)(C)C(=O)CC(=O)OON(=O)=O 	 InChI=1S/C7H9NO7/c1-7(2,4-9)5(10)3-6(11)14-15-8(12)13/h4H,3H2,1-2H3 	 219.1489 
 PENT1ENE 	 CCCC=C 	 InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3 	 70.1329 
 LIMALACO 	 O=CCC(CC(=O)C(=O)C)C(=C)C 	 InChI=1S/C10H14O3/c1-7(2)9(4-5-11)6-10(13)8(3)12/h5,9H,1,4,6H2,2-3H3 	 182.2164 
 C8M2CO6O2 	 [O]OC(C(=O)C)C(=CC(=O)CC)C 	 InChI=1S/C9H13O4/c1-4-8(11)5-6(2)9(13-12)7(3)10/h5,9H,4H2,1-3H3 	 185.1971 
 MOCOCH2OOH 	 OOCC(=O)OC 	 InChI=1S/C3H6O4/c1-6-3(4)2-7-5/h5H,2H2,1H3 	 106.0773 
 HO1C5OOH 	 OCCCC(C)OO 	 InChI=1S/C5H12O3/c1-5(8-7)3-2-4-6/h5-7H,2-4H2,1H3 	 120.1470 
 NC623O 	 OCC(C=O)C(C)([O])CO[N+](=O)[O-] 	 InChI=1S/C6H10NO6/c1-6(10,4-13-7(11)12)5(2-8)3-9/h2,5,9H,3-4H2,1H3 	 192.1467 
 LIMBOOH 	 OOC1CC(CCC1(C)O)C(=C)C 	 InChI=1S/C10H18O3/c1-7(2)8-4-5-10(3,11)9(6-8)13-12/h8-9,11-12H,1,4-6H2,2-3H3 	 186.2481 
 CH3SCH2O 	 CSC[O] 	 InChI=1S/C2H5OS/c1-4-2-3/h2H2,1H3 	 77.1255 
 CHOC4CO3H 	 O=CCCCCC(=O)OO 	 InChI=1S/C6H10O4/c7-5-3-1-2-4-6(8)10-9/h5,9H,1-4H2 	 146.1412 
 C733OOH 	 OCCC(C(=O)C)C(OO)C=O 	 InChI=1S/C7H12O5/c1-5(10)6(2-3-8)7(4-9)12-11/h4,6-8,11H,2-3H2,1H3 	 176.1672 
 C78O2 	 [O]OC(CC(C)(C)O)C(=O)C 	 InChI=1S/C7H13O4/c1-5(8)6(11-10)4-7(2,3)9/h6,9H,4H2,1-3H3 	 161.1757 
 C815CO2OOH 	 CCCC(=O)C=CC(OO)C=O 	 InChI=1S/C8H12O4/c1-2-3-7(10)4-5-8(6-9)12-11/h4-6,8,11H,2-3H2,1H3 	 172.1785 
 MC3CODBCO3 	 CC(=CC=O)C(=O)O[O] 	 InChI=1S/C5H5O4/c1-4(2-3-6)5(7)9-8/h2-3H,1H3 	 129.0908 
 MC3CODBCO2 	 O=CC=C(C)C(=O)[O] 	 InChI=1S/C5H5O3/c1-4(2-3-6)5(7)8/h2-3H,1H3 	 113.0914 
 H2M3C4O 	 [O]CC(C)C(C)O 	 InChI=1S/C5H11O2/c1-4(3-6)5(2)7/h4-5,7H,3H2,1-2H3 	 103.1396 
 C42O 	 O=CC(O)C([O])CON(=O)=O 	 InChI=1S/C4H6NO6/c6-1-3(7)4(8)2-11-5(9)10/h1,3-4,7H,2H2 	 164.0935 
 C918CO3H 	 OOC(=O)C1(O)CCC2CC1C2(C)C 	 InChI=1S/C10H16O4/c1-9(2)6-3-4-10(12,7(9)5-6)8(11)14-13/h6-7,12-13H,3-5H2,1-2H3 	 200.2316 
 DM23BU2ENE 	 CC(=C(C)C)C 	 InChI=1S/C6H12/c1-5(2)6(3)4/h1-4H3 	 84.1595 
 MET1O2 	 CCc1cc(C)ccc1O[O] 	 InChI=1S/C9H11O2/c1-3-8-6-7(2)4-5-9(8)11-10/h4-6H,3H2,1-2H3 	 151.1824 
 ETBEANO3 	 CCOC(C)(C)CON(=O)=O 	 InChI=1S/C6H13NO4/c1-4-10-6(2,3)5-11-7(8)9/h4-5H2,1-3H3 	 163.1717 
 HO2C6OOH 	 OOC(C)CCC(C)O 	 InChI=1S/C6H14O3/c1-5(7)3-4-6(2)9-8/h5-8H,3-4H2,1-2H3 	 134.1736 
 C78OH 	 CC(=O)C(O)CC(C)(C)O 	 InChI=1S/C7H14O3/c1-5(8)6(9)4-7(2,3)10/h6,9-10H,4H2,1-3H3 	 146.1843 
 NOPINCO 	 O=C1CCC2([O])CC1C2(C)C 	 InChI=1S/C9H13O2/c1-8(2)6-5-9(8,11)4-3-7(6)10/h6H,3-5H2,1-2H3 	 153.1983 
 DNPHEN 	 O=N(=O)c1ccc(O)c(c1)N(=O)=O 	 InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H 	 184.1064 
 TM135BPNO3 	 O=N(=O)OC1C(=CC2(C)OOC1(C)C2O)C 	 InChI=1S/C9H13NO6/c1-5-4-8(2)7(11)9(3,16-15-8)6(5)14-10(12)13/h4,6-7,11H,1-3H3 	 231.2026 
 MIBKAOH3CO 	 CC(=O)C(=O)C(C)(C)O 	 InChI=1S/C6H10O3/c1-4(7)5(8)6(2,3)9/h9H,1-3H3 	 130.1418 
 MXYBIPERO 	 [O]C1C=CC2(C)OOC1(C)C2O 	 InChI=1S/C8H11O4/c1-7-4-3-5(9)8(2,6(7)10)12-11-7/h3-6,10H,1-2H3 	 171.1705 
 HO3C6O 	 [O]CCCC(O)CC 	 InChI=1S/C6H13O2/c1-2-6(8)4-3-5-7/h6,8H,2-5H2,1H3 	 117.1662 
 M33C4O2 	 [O]OCC(C)(C)CC 	 InChI=1S/C6H13O2/c1-4-6(2,3)5-8-7/h4-5H2,1-3H3 	 117.1662 
 MPRBNO3O2 	 [O]OCC(C)(C)ON(=O)=O 	 InChI=1S/C4H8NO5/c1-4(2,3-9-8)10-5(6)7/h3H2,1-2H3 	 150.1100 
 C84O2 	 CCC(=O)CC(O[O])C(=O)CC 	 InChI=1S/C8H13O4/c1-3-6(9)5-8(12-11)7(10)4-2/h8H,3-5H2,1-2H3 	 173.1864 
 PECO 	 CCC([O])CC 	 InChI=1S/C5H11O/c1-3-5(6)4-2/h5H,3-4H2,1-2H3 	 87.1402 
 DMKOHO 	 CC(=O)C([O])C(O)C(=O)C 	 InChI=1S/C6H9O4/c1-3(7)5(9)6(10)4(2)8/h5-6,9H,1-2H3 	 145.1333 
 EOX2ETCHO 	 CCOCC=O 	 InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3 	 88.1051 
 C617CO2H 	 O=CC(C)(C)C(=O)CC(=O)O 	 InChI=1S/C7H10O4/c1-7(2,4-8)5(9)3-6(10)11/h4H,3H2,1-2H3,(H,10,11) 	 158.1519 
 CHCL2OOH 	 OOC(Cl)Cl 	 InChI=1S/CH2Cl2O2/c2-1(3)5-4/h1,4H 	 116.9314 
 NDNCRESO2 	 [O]OC1(O)C(=CC2(OOC1(C)C2ON(=O)=O)N(=O)=O)N(=O)=O 	 InChI=1S/C7H6N3O12/c1-5-4(19-10(16)17)6(9(14)15,22-21-5)2-3(8(12)13)7(5,11)20-18/h2,4,11H,1H3 	 324.1354 
 PXYLO 	 [O]Cc1ccc(C)cc1 	 InChI=1S/C8H9O/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3 	 121.1565 
 C6EO2OHPAN 	 CCC(=CC(=O)C(O)C(=O)C)C(=O)OON(=O)=O 	 InChI=1S/C9H11NO8/c1-3-6(9(14)17-18-10(15)16)4-7(12)8(13)5(2)11/h4,8,13H,3H2,1-2H3 	 261.1855 
 PXYMUCO 	 O=CC1OC1(C)C(O)C([O])C(=O)C 	 InChI=1S/C8H11O5/c1-4(10)6(11)7(12)8(2)5(3-9)13-8/h3,5-7,12H,1-2H3 	 187.1699 
 DNPXYOL 	 O=N(=O)c1cc(C)c(O)c(N(=O)=O)c1C 	 InChI=1S/C8H8N2O5/c1-4-3-6(9(12)13)5(2)7(8(4)11)10(14)15/h3,11H,1-2H3 	 212.1595 
 TM124MUO2H 	 CC(=O)C=CC1(C)OC1(C)C(=O)O 	 InChI=1S/C9H12O4/c1-6(10)4-5-8(2)9(3,13-8)7(11)12/h4-5H,1-3H3,(H,11,12) 	 184.1892 
 C5OCO3M 	 O=CC(=O)OC(C)C(=O)C 	 InChI=1S/C6H8O4/c1-4(8)5(2)10-6(9)3-7/h3,5H,1-2H3 	 144.1253 
 PXY1OOH 	 OOc1cc(C)ccc1C 	 InChI=1S/C8H10O2/c1-6-3-4-7(2)8(5-6)10-9/h3-5,9H,1-2H3 	 138.1638 
 CH3COCO3H 	 CC(=O)C(=O)OO 	 InChI=1S/C3H4O4/c1-2(4)3(5)7-6/h6H,1H3 	 104.0615 
 C9DCCO 	 O=C1CC(=O)C2C(=O)C1C2(C)C 	 InChI=1S/C9H10O3/c1-9(2)6-4(10)3-5(11)7(9)8(6)12/h6-7H,3H2,1-2H3 	 166.1739 
 C816O 	 CC(=O)CCC([O])C(=C)C 	 InChI=1S/C8H13O2/c1-6(2)8(10)5-4-7(3)9/h8H,1,4-5H2,2-3H3 	 141.1876 
 C512O 	 [O]CCC(=O)CC=O 	 InChI=1S/C5H7O3/c6-3-1-5(8)2-4-7/h3H,1-2,4H2 	 115.1073 
 C522CO3 	 [O]OC(=O)C(=C)CCC=O 	 InChI=1S/C6H7O4/c1-5(3-2-4-7)6(8)10-9/h4H,1-3H2 	 143.1174 
 MIBKOHAOOH 	 OOC(C(=O)C)C(C)(C)O 	 InChI=1S/C6H12O4/c1-4(7)5(10-9)6(2,3)8/h5,8-9H,1-3H3 	 148.1571 
 C510OH 	 O=CC(O)C(C)(O)CON(=O)=O 	 InChI=1S/C5H9NO6/c1-5(9,4(8)2-7)3-12-6(10)11/h2,4,8-9H,3H2,1H3 	 179.1281 
 NEOPNO3 	 O=N(=O)OCC(C)(C)C 	 InChI=1S/C5H11NO3/c1-5(2,3)4-9-6(7)8/h4H2,1-3H3 	 133.1457 
 EBFUOOH 	 CCC1OC(=O)C(OO)C1O 	 InChI=1S/C6H10O5/c1-2-3-4(7)5(11-9)6(8)10-3/h3-5,7,9H,2H2,1H3 	 162.1406 
 C41CO3H 	 CC(C(=O)OO)C(=O)C 	 InChI=1S/C5H8O4/c1-3(4(2)6)5(7)9-8/h3,8H,1-2H3 	 132.1146 
 OXYOLO2 	 [O]OC1(O)C=C(C)C2(C)OOC1C2O 	 InChI=1S/C8H11O6/c1-4-3-8(10,13-11)6-5(9)7(4,2)14-12-6/h3,5-6,9-10H,1-2H3 	 203.1693 
 T123NCATO 	 O=N(=O)C1=C(O)C([O])(O)C2(C)OOC1(C)C2(C)O 	 InChI=1S/C9H12NO8/c1-6-4(10(15)16)5(11)9(13,14)8(3,18-17-6)7(6,2)12/h11-13H,1-3H3 	 262.1935 
 C1310O 	 OCCC(=C)C(=O)CC(C)(C)C([O])CCC(=O)O 	 InChI=1S/C13H21O5/c1-9(6-7-14)10(15)8-13(2,3)11(16)4-5-12(17)18/h11,14H,1,4-8H2,2-3H3,(H,17,18) 	 257.3028 
 CO1H63O 	 OCCCC([O])CC=O 	 InChI=1S/C6H11O3/c7-4-1-2-6(9)3-5-8/h5-7H,1-4H2 	 131.1497 
 NCRESO 	 O=N(=O)OC1C2OOC1(C)C=CC2([O])O 	 InChI=1S/C7H8NO7/c1-6-2-3-7(9,10)5(14-15-6)4(6)13-8(11)12/h2-5,9H,1H3 	 218.1409 
 CHCL3OOH 	 OOC(Cl)C(Cl)Cl 	 InChI=1S/C2H3Cl3O2/c3-1(4)2(5)7-6/h1-2,6H 	 165.4030 
 BUTAL2NO3 	 CCC(C=O)ON(=O)=O 	 InChI=1S/C4H7NO4/c1-2-4(3-6)9-5(7)8/h3-4H,2H2,1H3 	 133.1027 
 EOX2OLBNO3 	 OCCOC(C)ON(=O)=O 	 InChI=1S/C4H9NO5/c1-4(9-3-2-6)10-5(7)8/h4,6H,2-3H2,1H3 	 151.1180 
 C6H5C2CO3H 	 OOC(=O)Cc1ccccc1 	 InChI=1S/C8H8O3/c9-8(11-10)6-7-4-2-1-3-5-7/h1-5,10H,6H2 	 152.1473 
 HOC2H4CO3H 	 OCCC(=O)OO 	 InChI=1S/C3H6O4/c4-2-1-3(5)7-6/h4,6H,1-2H2 	 106.0773 
 NC3OOA 	 [O-][O+]=C(C)CON(=O)=O 	 InChI=1S/C3H5NO5/c1-3(9-7)2-8-4(5)6/h2H2,1H3 	 135.0755 
 BCLKET 	 O=CCCC(=O)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H22O3/c1-10(16)6-7-12-11(9-14(12,2)3)13(17)5-4-8-15/h8,11-12H,4-7,9H2,1-3H3 	 238.3227 
 C89CO2 	 O=CCC1CC(C(=O)[O])C1(C)C 	 InChI=1S/C9H13O3/c1-9(2)6(3-4-10)5-7(9)8(11)12/h4,6-7H,3,5H2,1-2H3 	 169.1977 
 C89CO3 	 O=CCC1CC(C(=O)O[O])C1(C)C 	 InChI=1S/C9H13O4/c1-9(2)6(3-4-10)5-7(9)8(11)13-12/h4,6-7H,3,5H2,1-2H3 	 185.1971 
 C1013O2 	 COC(=O)CCC1C(O[O])CC1(C)C 	 InChI=1S/C10H17O4/c1-10(2)6-8(14-12)7(10)4-5-9(11)13-3/h7-8H,4-6H2,1-3H3 	 201.2396 
 C726CO3OH 	 CC(=O)C=CC(O)C(=O)C 	 InChI=1S/C7H10O3/c1-5(8)3-4-7(10)6(2)9/h3-4,7,10H,1-2H3 	 142.1525 
 M33C3CO2H 	 CCC(C)(C)C(=O)O 	 InChI=1S/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8) 	 116.1583 
 CCLOHCH2O2 	 [O]OCC(O)Cl 	 InChI=1S/C2H4ClO3/c3-2(4)1-6-5/h2,4H,1H2 	 111.5044 
 TMBO2 	 [O]OCc1cc(C)cc(C)c1 	 InChI=1S/C9H11O2/c1-7-3-8(2)5-9(4-7)6-11-10/h3-5H,6H2,1-2H3 	 151.1824 
 DNPHENO 	 O=N(=O)C1=CC2(OOC(C2O)C1([O])O)N(=O)=O 	 InChI=1S/C6H5N2O9/c9-3-4-6(10,11)2(7(12)13)1-5(3,8(14)15)17-16-4/h1,3-4,9-10H 	 249.1119 
 C6DCRBBOOH 	 CCC(=O)C=CC(=O)OO 	 InChI=1S/C6H8O4/c1-2-5(7)3-4-6(8)10-9/h3-4,9H,2H2,1H3 	 144.1253 
 M2BUOL2OH 	 CCC(C)(O)CO 	 InChI=1S/C5H12O2/c1-3-5(2,7)4-6/h6-7H,3-4H2,1-2H3 	 104.1476 
 C63O 	 OCC([O])CC(=O)CC 	 InChI=1S/C6H11O3/c1-2-5(8)3-6(9)4-7/h6-7H,2-4H2,1H3 	 131.1497 
 C1210OOH 	 OOCCC1C(CC1(C)C)C(=O)CCC=O 	 InChI=1S/C12H20O4/c1-12(2)8-9(10(12)5-7-16-15)11(14)4-3-6-13/h6,9-10,15H,3-5,7-8H2,1-2H3 	 228.2848 
 NPXYOLO 	 O=N(=O)OC1C2OOC1(C)C([O])(O)C=C2C 	 InChI=1S/C8H10NO7/c1-4-3-8(10,11)7(2)6(14-9(12)13)5(4)15-16-7/h3,5-6,10H,1-2H3 	 232.1675 
 ACCOMECO3 	 CC(=O)OC(=O)CC(=O)O[O] 	 InChI=1S/C5H5O6/c1-3(6)10-4(7)2-5(8)11-9/h2H2,1H3 	 161.0896 
 C4CO2DCO3H 	 OOC(=O)C=CC(=O)C=O 	 InChI=1S/C5H4O5/c6-3-4(7)1-2-5(8)10-9/h1-3,9H 	 144.0823 
 DIME35EB 	 CCc1cc(C)cc(C)c1 	 InChI=1S/C10H14/c1-4-10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3 	 134.2182 
 MBOOOA 	 [O-][O+]=CC(C)(C)O 	 InChI=1S/C4H8O3/c1-4(2,5)3-7-6/h3,5H,1-2H3 	 104.1045 
 BOX2COMOOH 	 CCCC(OO)OC(=O)C(=O)C 	 InChI=1S/C7H12O5/c1-3-4-6(12-10)11-7(9)5(2)8/h6,10H,3-4H2,1-2H3 	 176.1672 
 C919OH 	 O=CCC(=O)C(CC=O)C(C)(C)O 	 InChI=1S/C9H14O4/c1-9(2,13)7(3-5-10)8(12)4-6-11/h5-7,13H,3-4H2,1-2H3 	 186.2051 
 NISOPO 	 [O]CC=C(C)CON(=O)=O 	 InChI=1S/C5H8NO4/c1-5(2-3-7)4-10-6(8)9/h2H,3-4H2,1H3 	 146.1213 
 PTNCATECH 	 CCc1cc(N(=O)=O)c(C)c(O)c1O 	 InChI=1S/C9H11NO4/c1-3-6-4-7(10(13)14)5(2)8(11)9(6)12/h4,11-12H,3H2,1-2H3 	 197.1879 
 PTNCATECO 	 CCC12OOC(N(=O)=O)(C(=C(O)C2([O])O)C)C1O 	 InChI=1S/C9H12NO8/c1-3-7-6(12)8(10(15)16,18-17-7)4(2)5(11)9(7,13)14/h6,11-13H,3H2,1-2H3 	 262.1935 
 M2BUOL2O2 	 CCC(C)(CO)O[O] 	 InChI=1S/C5H11O3/c1-3-5(2,4-6)8-7/h6H,3-4H2,1-2H3 	 119.1390 
 CO3H4CO3 	 CCC(=O)C(O)C(=O)O[O] 	 InChI=1S/C5H7O5/c1-2-3(6)4(7)5(8)10-9/h4,7H,2H2,1H3 	 147.1061 
 DMMBNO3 	 COC(OC)ON(=O)=O 	 InChI=1S/C3H7NO5/c1-7-3(8-2)9-4(5)6/h3H,1-2H3 	 137.0914 
 C84O 	 CCC(=O)CC([O])C(=O)CC 	 InChI=1S/C8H13O3/c1-3-6(9)5-8(11)7(10)4-2/h8H,3-5H2,1-2H3 	 157.1870 
 MTCATEC1O 	 CCc1cc(C)cc(O)c1[O] 	 InChI=1S/C9H11O2/c1-3-7-4-6(2)5-8(10)9(7)11/h4-5,10H,3H2,1-2H3 	 151.1824 
 C7M2CO5O2 	 [O]OC(C(=O)C)C(=CC(=O)C)C 	 InChI=1S/C8H11O4/c1-5(4-6(2)9)8(12-11)7(3)10/h4,8H,1-3H3 	 171.1705 
 H3C2C4PAN 	 O=N(=O)OOC(=O)CC(O)C(=O)C 	 InChI=1S/C5H7NO7/c1-3(7)4(8)2-5(9)12-13-6(10)11/h4,8H,2H2,1H3 	 193.1116 
 C4MALOHOOH 	 O=CC(O)C(C)(OO)C=O 	 InChI=1S/C5H8O5/c1-5(3-7,10-9)4(8)2-6/h2-4,8-9H,1H3 	 148.1140 
 C1211CO3 	 O.[O]C(=O)CCC(=O)C1CC(C)(C)C1CCC(=O)O 	 InChI=1S/C13H19O5.H2O/c1-13(2)7-8(9(13)3-5-11(15)16)10(14)4-6-12(17)18;/h8-9H,3-7H2,1-2H3,(H,15,16);1H2 	 273.3022 
 C515O2 	 [O]OCC(=O)C(=O)CC=O 	 InChI=1S/C5H5O5/c6-2-1-4(7)5(8)3-10-9/h2H,1,3H2 	 145.0902 
 MVKOHBOOH 	 OCC(=O)C(CO)OO 	 InChI=1S/C4H8O5/c5-1-3(7)4(2-6)9-8/h4-6,8H,1-2H2 	 136.1033 
 C1213OOH 	 OCCC(=O)C(=O)CC(C)(C)C(OO)CCC(=O)O 	 InChI=1S/C12H20O7/c1-12(2,7-9(15)8(14)5-6-13)10(19-18)3-4-11(16)17/h10,13,18H,3-7H2,1-2H3,(H,16,17) 	 276.2830 
 CO24C6O2 	 CC(O[O])C(=O)CC(=O)C 	 InChI=1S/C6H9O4/c1-4(7)3-6(8)5(2)10-9/h5H,3H2,1-2H3 	 145.1333 
 C9M2CO6OOH 	 CCC(=O)C=C(C)C(OO)C(=O)CC 	 InChI=1S/C10H16O4/c1-4-8(11)6-7(3)10(14-13)9(12)5-2/h6,10,13H,4-5H2,1-3H3 	 200.2316 
 C7CO3OHOOH 	 CCC(=O)C(OO)C(O)C(=O)C=O 	 InChI=1S/C7H10O6/c1-2-4(9)7(13-12)6(11)5(10)3-8/h3,6-7,11-12H,2H2,1H3 	 190.1507 
 C722O 	 O=CCC(C(=O)O)C(C)(C)[O] 	 InChI=1S/C7H11O4/c1-7(2,11)5(3-4-8)6(9)10/h4-5H,3H2,1-2H3,(H,9,10) 	 159.1598 
 HM33C4O 	 OCCC(C)(C)C[O] 	 InChI=1S/C6H13O2/c1-6(2,5-8)3-4-7/h7H,3-5H2,1-2H3 	 117.1662 
 CH3SOO2NO2 	 [O-][N+](=O)OOS(=O)C 	 InChI=1S/CH3NO5S/c1-8(5)7-6-2(3)4/h1H3 	 141.1032 
 HEXCNO3 	 CCCC(CC)ON(=O)=O 	 InChI=1S/C6H13NO3/c1-3-5-6(4-2)10-7(8)9/h6H,3-5H2,1-2H3 	 147.1723 
 NBUACETAO2 	 [O]OC(C)CCOC(=O)C 	 InChI=1S/C6H11O4/c1-5(10-8)3-4-9-6(2)7/h5H,3-4H2,1-2H3 	 147.1491 
 CNO3CLOOH 	 OOC(Cl)CON(=O)=O 	 InChI=1S/C2H4ClNO5/c3-2(9-7)1-8-4(5)6/h2,7H,1H2 	 157.5099 
 DNCRESO2 	 [O]OC1(O)C(=CC2(OOC1(C)C2O)N(=O)=O)N(=O)=O 	 InChI=1S/C7H7N2O10/c1-5-4(10)6(9(14)15,19-18-5)2-3(8(12)13)7(5,11)17-16/h2,4,10-11H,1H3 	 279.1379 
 HO2C5O 	 [O]CCCC(C)O 	 InChI=1S/C5H11O2/c1-5(7)3-2-4-6/h5,7H,2-4H2,1H3 	 103.1396 
 C5MCO2OHO2 	 [O]OC(C)(C=O)C(O)C(=O)C 	 InChI=1S/C6H9O5/c1-4(8)5(9)6(2,3-7)11-10/h3,5,9H,1-2H3 	 161.1327 
 C4MCODBPAN 	 O=N(=O)OOC(=O)C(=CC(=O)C)C 	 InChI=1S/C6H7NO6/c1-4(3-5(2)8)6(9)12-13-7(10)11/h3H,1-2H3 	 189.1229 
 NO3CH2PAN 	 O=C(CON(=O)=O)OON(=O)=O 	 InChI=1S/C2H2N2O8/c5-2(1-10-3(6)7)11-12-4(8)9/h1H2 	 182.0459 
 BCBNO3 	 [O-][N+](=O)OC1CCC(=C)C2CC(C)(C)C2CCC1(C)O 	 InChI=1S/C15H25NO4/c1-10-5-6-13(20-16(18)19)15(4,17)8-7-12-11(10)9-14(12,2)3/h11-13,17H,1,5-9H2,2-4H3 	 283.3633 
 C5CONO34O2 	 [O]OC(C)C(ON(=O)=O)C(=O)C 	 InChI=1S/C5H8NO6/c1-3(7)5(4(2)12-10)11-6(8)9/h4-5H,1-2H3 	 178.1201 
 C7M2CO5OH 	 CC(=O)C=C(C)C(O)C(=O)C 	 InChI=1S/C8H12O3/c1-5(4-6(2)9)8(11)7(3)10/h4,8,11H,1-3H3 	 156.1791 
 H3M3C6NO3 	 CCC(C)(O)CCCON(=O)=O 	 InChI=1S/C7H15NO4/c1-3-7(2,9)5-4-6-12-8(10)11/h9H,3-6H2,1-2H3 	 177.1983 
 C5DICARBO2 	 [O]OC(C(=O)C)C(O)C=O 	 InChI=1S/C5H7O5/c1-3(7)5(10-9)4(8)2-6/h2,4-5,8H,1H3 	 147.1061 
 BOX2PROL 	 CCCCOCC(C)O 	 InChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3 	 132.2007 
 C5COCHOO 	 [O]CC(=O)CCC=O 	 InChI=1S/C5H7O3/c6-3-1-2-5(8)4-7/h3H,1-2,4H2 	 115.1073 
 C524CO 	 OCC(=O)C(=C)CO 	 InChI=1S/C5H8O3/c1-4(2-6)5(8)3-7/h6-7H,1-3H2 	 116.1152 
 BRETPAN 	 BrCC(=O)OON(=O)=O 	 InChI=1S/C2H2BrNO5/c3-1-2(5)8-9-4(6)7/h1H2 	 199.9450 
 C6CODIAL 	 O=CCCC(=O)CC=O 	 InChI=1S/C6H8O3/c7-4-1-2-6(9)3-5-8/h4-5H,1-3H2 	 128.1259 
 MXYFUOH 	 CC1OC(=O)C(C)(O)C1O 	 InChI=1S/C6H10O4/c1-3-4(7)6(2,9)5(8)10-3/h3-4,7,9H,1-2H3 	 146.1412 
 CL2OHPAN 	 O=N(=O)OOC(=O)C(O)(Cl)Cl 	 InChI=1S/C2HCl2NO6/c3-2(4,7)1(6)10-11-5(8)9/h7H 	 205.9384 
 PROPALO2 	 CC(O[O])C=O 	 InChI=1S/C3H5O3/c1-3(2-4)6-5/h2-3H,1H3 	 89.0700 
 HO3C106NO3 	 CCCCC(CCC(O)CC)ON(=O)=O 	 InChI=1S/C10H21NO4/c1-3-5-6-10(15-11(13)14)8-7-9(12)4-2/h9-10,12H,3-8H2,1-2H3 	 219.2780 
 DNIPBNZLO2 	 [O]OC1(O)C(=CC2(OOC1(C(C)C)C2O)N(=O)=O)N(=O)=O 	 InChI=1S/C9H11N2O10/c1-4(2)8-6(12)7(11(16)17,20-21-8)3-5(10(14)15)9(8,13)19-18/h3-4,6,12-13H,1-2H3 	 307.1910 
 M2C43CO2H 	 CC(C(C)C)C(=O)O 	 InChI=1S/C6H12O2/c1-4(2)5(3)6(7)8/h4-5H,1-3H3,(H,7,8) 	 116.1583 
 C8BCO 	 [O]C1CC2CC1C2(C)C 	 InChI=1S/C8H13O/c1-8(2)5-3-6(8)7(9)4-5/h5-7H,3-4H2,1-2H3 	 125.1882 
 MXYFUO2 	 CC1(O[O])C(O)C(C)OC1=O 	 InChI=1S/C6H9O5/c1-3-4(7)6(2,11-9)5(8)10-3/h3-4,7H,1-2H3 	 161.1327 
 TM123BP2OH 	 OC1C=CC2(C)OOC1(C)C2(C)O 	 InChI=1S/C9H14O4/c1-7-5-4-6(10)8(2,13-12-7)9(7,3)11/h4-6,10-11H,1-3H3 	 186.2051 
 C65NO3CO3H 	 CCCCC(ON(=O)=O)C(=O)OO 	 InChI=1S/C6H11NO6/c1-2-3-4-5(6(8)13-11)12-7(9)10/h5,11H,2-4H2,1H3 	 193.1546 
 C89O 	 O=CCC1CC([O])C1(C)C 	 InChI=1S/C8H13O2/c1-8(2)6(3-4-9)5-7(8)10/h4,6-7H,3,5H2,1-2H3 	 141.1876 
 HO3C86NO3 	 CCC(O)CCC(CC)ON(=O)=O 	 InChI=1S/C8H17NO4/c1-3-7(10)5-6-8(4-2)13-9(11)12/h7-8,10H,3-6H2,1-2H3 	 191.2249 
 NTMB2FUO 	 O=N(=O)OC1(C)C(C)OC(=O)C1(C)[O] 	 InChI=1S/C7H10NO6/c1-4-7(3,14-8(11)12)6(2,10)5(9)13-4/h4H,1-3H3 	 204.1574 
 H13M3C5O2 	 OCCC(C)(O)C(C)O[O] 	 InChI=1S/C6H13O4/c1-5(10-9)6(2,8)3-4-7/h5,7-8H,3-4H2,1-2H3 	 149.1650 
 C915O 	 O=CC1C(=O)CCC([O])C1(C)C 	 InChI=1S/C9H13O3/c1-9(2)6(5-10)7(11)3-4-8(9)12/h5-6,8H,3-4H2,1-2H3 	 169.1977 
 C830O2 	 O=CCC1C(O[O])CC1(C)C 	 InChI=1S/C8H13O3/c1-8(2)5-7(11-10)6(8)3-4-9/h4,6-7H,3,5H2,1-2H3 	 157.1870 
 INAHPCO3 	 [O]OC(=O)C(C)(OO)C(O)CON(=O)=O 	 InChI=1S/C5H8NO9/c1-5(15-12,4(8)14-11)3(7)2-13-6(9)10/h3,7,12H,2H2,1H3 	 226.1183 
 IPBZMUCO3H 	 OOC(=O)C1OC1C=CC(=O)C(C)C 	 InChI=1S/C9H12O5/c1-5(2)6(10)3-4-7-8(13-7)9(11)14-12/h3-5,7-8,12H,1-2H3 	 200.1886 
 CO3C75O 	 CCC([O])CC(=O)CC 	 InChI=1S/C7H13O2/c1-3-6(8)5-7(9)4-2/h6H,3-5H2,1-2H3 	 129.1769 
 C43NO3CO3H 	 OOC(=O)C(C)(CC)ON(=O)=O 	 InChI=1S/C5H9NO6/c1-3-5(2,4(7)11-10)12-6(8)9/h10H,3H2,1-2H3 	 179.1281 
 HO2MC5NO3 	 CC(O)CC(C)CON(=O)=O 	 InChI=1S/C6H13NO4/c1-5(3-6(2)8)4-11-7(9)10/h5-6,8H,3-4H2,1-2H3 	 163.1717 
 DETLMUOOH 	 CCC(=O)C(O)C(C)(OO)C1OC1(CC)C=O 	 InChI=1S/C11H18O6/c1-4-7(13)8(14)10(3,17-15)9-11(5-2,6-12)16-9/h6,8-9,14-15H,4-5H2,1-3H3 	 246.2570 
 C6H5C2OH 	 OCCc1ccccc1 	 InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2 	 122.1644 
 C4M2NO32O2 	 [O]OC(C)C(C)(C)ON(=O)=O 	 InChI=1S/C5H10NO5/c1-4(10-9)5(2,3)11-6(7)8/h4H,1-3H3 	 164.1366 
 H13M3C5O 	 OCCC(C)(O)C(C)[O] 	 InChI=1S/C6H13O3/c1-5(8)6(2,9)3-4-7/h5,7,9H,3-4H2,1-2H3 	 133.1656 
 NPEBQOOH 	 OOC1C(=O)C=C(CC)C(=O)C1ON(=O)=O 	 InChI=1S/C8H9NO7/c1-2-4-3-5(10)7(16-14)8(6(4)11)15-9(12)13/h3,7-8,14H,2H2,1H3 	 231.1596 
 ETBEACHO 	 CCOC(C)(C)C=O 	 InChI=1S/C6H12O2/c1-4-8-6(2,3)5-7/h5H,4H2,1-3H3 	 116.1583 
 H2M4C65O 	 CC(O)CC(C)C(C)[O] 	 InChI=1S/C7H15O2/c1-5(7(3)9)4-6(2)8/h5-8H,4H2,1-3H3 	 131.1928 
 PETLMUCCO3 	 CCC(=O)C=CC1(C)OC1C(=O)O[O] 	 InChI=1S/C9H11O5/c1-3-6(10)4-5-9(2)7(13-9)8(11)14-12/h4-5,7H,3H2,1-2H3 	 199.1806 
 C4MNO32OOH 	 OOCC(ON(=O)=O)C(C)C 	 InChI=1S/C5H11NO5/c1-4(2)5(3-10-9)11-6(7)8/h4-5,9H,3H2,1-2H3 	 165.1445 
 C5CO234O2 	 CC(=O)C(=O)C(=O)CO[O] 	 InChI=1S/C5H5O5/c1-3(6)5(8)4(7)2-10-9/h2H2,1H3 	 145.0902 
 C830OH 	 O=CCC1C(O)CC1(C)C 	 InChI=1S/C8H14O2/c1-8(2)5-7(10)6(8)3-4-9/h4,6-7,10H,3,5H2,1-2H3 	 142.1956 
 HO3C126NO3 	 CCCCCCC(CCC(O)CC)ON(=O)=O 	 InChI=1S/C12H25NO4/c1-3-5-6-7-8-12(17-13(15)16)10-9-11(14)4-2/h11-12,14H,3-10H2,1-2H3 	 247.3312 
 C624CHO 	 CC(=C)C(CCO)C=O 	 InChI=1S/C7H12O2/c1-6(2)7(5-9)3-4-8/h5,7-8H,1,3-4H2,2H3 	 128.1690 
 C136O 	 O=CCCC(=C)C1CC(C)(C)C1CC[O] 	 InChI=1S/C13H21O2/c1-10(5-4-7-14)11-9-13(2,3)12(11)6-8-15/h7,11-12H,1,4-6,8-9H2,2-3H3 	 209.3046 
 M22C3CO3 	 [O]OC(=O)CC(C)(C)C 	 InChI=1S/C6H11O3/c1-6(2,3)4-5(7)9-8/h4H2,1-3H3 	 131.1497 
 PXYLOOH 	 OOCc1ccc(C)cc1 	 InChI=1S/C8H10O2/c1-7-2-4-8(5-3-7)6-10-9/h2-5,9H,6H2,1H3 	 138.1638 
 TM124QOOH 	 OOC1(C)C(O)C(=O)C(=C(C)C1=O)C 	 InChI=1S/C9H12O5/c1-4-5(2)7(11)9(3,14-13)8(12)6(4)10/h8,12-13H,1-3H3 	 200.1886 
 IPNNCATOOH 	 OOC1(O)C(=C(N(=O)=O)C2OOC1(C(C)C)C2ON(=O)=O)O 	 InChI=1S/C9H12N2O11/c1-3(2)8-7(19-11(16)17)5(20-22-8)4(10(14)15)6(12)9(8,13)21-18/h3,5,7,12-13,18H,1-2H3 	 324.1984 
 C5DICARBO 	 O=CC(O)C([O])C(=O)C 	 InChI=1S/C5H7O4/c1-3(7)5(9)4(8)2-6/h2,4-5,8H,1H3 	 131.1067 
 C96NO3 	 O=N(=O)OCC1CC(C(=O)C)C1(C)C 	 InChI=1S/C9H15NO4/c1-6(11)8-4-7(9(8,2)3)5-14-10(12)13/h7-8H,4-5H2,1-3H3 	 201.2197 
 TM123O 	 Cc1ccc([O])c(C)c1C 	 InChI=1S/C9H11O/c1-6-4-5-9(10)8(3)7(6)2/h4-5H,1-3H3 	 135.1830 
 TM123B 	 Cc1cccc(C)c1C 	 InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3 	 120.1916 
 C1312OOH 	 O=CCCC(=C)C(=O)CC(C)(C)C(OO)CCO 	 InChI=1S/C13H22O5/c1-10(5-4-7-14)11(16)9-13(2,3)12(18-17)6-8-15/h7,12,15,17H,1,4-6,8-9H2,2-3H3 	 258.3108 
 PHAN 	 OCC(=O)OON(=O)=O 	 InChI=1S/C2H3NO6/c4-1-2(5)8-9-3(6)7/h4H,1H2 	 137.0483 
 COO2C4OOH 	 OOCCC(=O)OC 	 InChI=1S/C4H8O4/c1-7-4(5)2-3-8-6/h6H,2-3H2,1H3 	 120.1039 
 C916NO3 	 O=CCCC(=O)C(C=O)C(C)(C)ON(=O)=O 	 InChI=1S/C9H13NO6/c1-9(2,16-10(14)15)7(6-12)8(13)4-3-5-11/h5-7H,3-4H2,1-2H3 	 231.2026 
 EBENZOLOH 	 CCC12OOC(C2O)C(O)(O)C=C1 	 InChI=1S/C8H12O5/c1-2-7-3-4-8(10,11)6(5(7)9)12-13-7/h3-6,9-11H,2H2,1H3 	 188.1779 
 EBENZOLO2 	 [O]OC1(O)C=CC2(CC)OOC1C2O 	 InChI=1S/C8H11O6/c1-2-7-3-4-8(10,13-11)6(5(7)9)12-14-7/h3-6,9-10H,2H2,1H3 	 203.1693 
 HOC4CHOOOH 	 OCCCC(OO)C=O 	 InChI=1S/C5H10O4/c6-3-1-2-5(4-7)9-8/h4-6,8H,1-3H2 	 134.1305 
 MC5CO2OHO 	 O=CC(O)C(C)([O])C(=O)C 	 InChI=1S/C6H9O4/c1-4(8)6(2,10)5(9)3-7/h3,5,9H,1-2H3 	 145.1333 
 C928NO3 	 CC(=O)CCC(=O)C(C)(C)CO[N+](=O)[O-] 	 InChI=1S/C9H15NO5/c1-7(11)4-5-8(12)9(2,3)6-15-10(13)14/h4-6H2,1-3H3 	 217.2191 
 IPBZMUCO 	 O=CC1OC1C(O)C([O])C(=O)C(C)C 	 InChI=1S/C9H13O5/c1-4(2)6(11)7(12)8(13)9-5(3-10)14-9/h3-5,7-9,13H,1-2H3 	 201.1965 
 HO3C116OOH 	 CCCCCC(OO)CCC(O)CC 	 InChI=1S/C11H24O3/c1-3-5-6-7-11(14-13)9-8-10(12)4-2/h10-13H,3-9H2,1-2H3 	 204.3065 
 HO5C6OOH 	 CCCCC(O)COO 	 InChI=1S/C6H14O3/c1-2-3-4-6(7)5-9-8/h6-8H,2-5H2,1H3 	 134.1736 
 DNEBNZLO2 	 CCC12OOC(C=C(N(=O)=O)C2(O)O[O])(N(=O)=O)C1O 	 InChI=1S/C8H9N2O10/c1-2-6-5(11)7(10(15)16,20-19-6)3-4(9(13)14)8(6,12)18-17/h3,5,11-12H,2H2,1H3 	 293.1645 
 C3H7CHO 	 CCCC=O 	 InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3 	 72.1057 
 INANCO3H 	 OOC(=O)C(C)(ON(=O)=O)C(O)CON(=O)=O 	 InChI=1S/C5H8N2O10/c1-5(4(9)16-14,17-7(12)13)3(8)2-15-6(10)11/h3,8,14H,2H2,1H3 	 256.1244 
 CO2HOC61O2 	 CCC(O)CC(=O)CO[O] 	 InChI=1S/C6H11O4/c1-2-5(7)3-6(8)4-10-9/h5,7H,2-4H2,1H3 	 147.1491 
 EBENZOLOOH 	 OOC1(O)C=CC2(CC)OOC1C2O 	 InChI=1S/C8H12O6/c1-2-7-3-4-8(10,13-11)6(5(7)9)12-14-7/h3-6,9-11H,2H2,1H3 	 204.1773 
 NBPINAO2 	 [O]OC1(CON(=O)=O)CCC2CC1C2(C)C 	 InChI=1S/C10H16NO5/c1-9(2)7-3-4-10(16-14,8(9)5-7)6-15-11(12)13/h7-8H,3-6H2,1-2H3 	 230.2377 
 C71OOH 	 CCC(O)CC(=O)C(C)OO 	 InChI=1S/C7H14O4/c1-3-6(8)4-7(9)5(2)11-10/h5-6,8,10H,3-4H2,1-2H3 	 162.1837 
 M3PECO 	 CCC(C)([O])CC 	 InChI=1S/C6H13O/c1-4-6(3,7)5-2/h4-5H2,1-3H3 	 101.1668 
 INANCOCO3 	 [O]OC(=O)C(C)(ON(=O)=O)C(=O)CON(=O)=O 	 InChI=1S/C5H5N2O10/c1-5(4(9)16-14,17-7(12)13)3(8)2-15-6(10)11/h2H2,1H3 	 253.1006 
 C919O2 	 O=CCC(=O)C(CC=O)C(C)(C)O[O] 	 InChI=1S/C9H13O5/c1-9(2,14-13)7(3-5-10)8(12)4-6-11/h5-7H,3-4H2,1-2H3 	 201.1965 
 NEOP 	 CC(C)(C)C 	 InChI=1S/C5H12/c1-5(2,3)4/h1-4H3 	 72.1488 
 ME3BUOLNO3 	 OCC(ON(=O)=O)C(C)C 	 InChI=1S/C5H11NO4/c1-4(2)5(3-7)10-6(8)9/h4-5,7H,3H2,1-2H3 	 149.1451 
 HM23C4OOH 	 OOCC(C)C(C)CO 	 InChI=1S/C6H14O3/c1-5(3-7)6(2)4-9-8/h5-8H,3-4H2,1-2H3 	 134.1736 
 TM124OOH 	 OOc1cc(C)cc(C)c1C 	 InChI=1S/C9H12O2/c1-6-4-7(2)8(3)9(5-6)11-10/h4-5,10H,1-3H3 	 152.1904 
 NC6PAN1 	 O=CC(=O)CC(=O)C(C)(ON(=O)=O)C(=O)OON(=O)=O 	 InChI=1S/C7H6N2O11/c1-7(19-8(14)15,5(12)2-4(11)3-10)6(13)18-20-9(16)17/h3H,2H2,1H3 	 294.1293 
 INANPAN 	 O=N(=O)OCC(O)C(C)(ON(=O)=O)C(=O)OON(=O)=O 	 InChI=1S/C5H7N3O12/c1-5(19-7(13)14,3(9)2-17-6(11)12)4(10)18-20-8(15)16/h3,9H,2H2,1H3 	 301.1220 
 C823PAN 	 OC(=O)CCC(CC(=O)OO[N+](=O)[O-])C(=C)C 	 InChI=1S/C9H13NO7/c1-6(2)7(3-4-8(11)12)5-9(13)16-17-10(14)15/h7H,1,3-5H2,2H3,(H,11,12) 	 247.2020 
 C830NO3 	 O=CCC1C(O[N+](=O)[O-])CC1(C)C 	 InChI=1S/C8H13NO4/c1-8(2)5-7(13-9(11)12)6(8)3-4-10/h4,6-7H,3,5H2,1-2H3 	 187.1931 
 ISOPDNO3 	 OCC(ON(=O)=O)C(=C)C 	 InChI=1S/C5H9NO4/c1-4(2)5(3-7)10-6(8)9/h5,7H,1,3H2,2H3 	 147.1293 
 NMBOAO 	 O=N(=O)OCC([O])C(C)(C)O 	 InChI=1S/C5H10NO5/c1-5(2,8)4(7)3-11-6(9)10/h4,8H,3H2,1-2H3 	 164.1366 
 MTBEACHOHO 	 O=COC(C)(C)CO 	 InChI=1S/C5H10O3/c1-5(2,3-6)8-4-7/h4,6H,3H2,1-2H3 	 118.1311 
 C624PAN 	 [O-][N+](=O)OOC(=O)C(CCO)C(=C)C 	 InChI=1S/C7H11NO6/c1-5(2)6(3-4-9)7(10)13-14-8(11)12/h6,9H,1,3-4H2,2H3 	 205.1653 
 C8CO2DBAL 	 CCCC(=O)C=CC(=O)C=O 	 InChI=1S/C8H10O3/c1-2-3-7(10)4-5-8(11)6-9/h4-6H,2-3H2,1H3 	 154.1632 
 TLFUOOH 	 OOC1C(=O)OC(C)C1O 	 InChI=1S/C5H8O5/c1-2-3(6)4(10-8)5(7)9-2/h2-4,6,8H,1H3 	 148.1140 
 C9DCOOH 	 OOC1C2C(=O)CC(=O)C1C2(C)C 	 InChI=1S/C9H12O4/c1-9(2)6-4(10)3-5(11)7(9)8(6)13-12/h6-8,12H,3H2,1-2H3 	 184.1892 
 INB1NBCO3H 	 OOC(=O)C(C)(ON(=O)=O)C(CO)ON(=O)=O 	 InChI=1S/C5H8N2O10/c1-5(4(9)16-14,17-7(12)13)3(2-8)15-6(10)11/h3,8,14H,2H2,1H3 	 256.1244 
 HO3C4O 	 CCC(O)C[O] 	 InChI=1S/C4H9O2/c1-2-4(6)3-5/h4,6H,2-3H2,1H3 	 89.1131 
 PET1OHNO2 	 CCc1ccc(C)c(N(=O)=O)c1O 	 InChI=1S/C9H11NO3/c1-3-7-5-4-6(2)8(9(7)11)10(12)13/h4-5,11H,3H2,1-2H3 	 181.1885 
 IPRBQO2 	 [O]OC1C(=O)C=C(C(C)C)C(=O)C1O 	 InChI=1S/C9H11O5/c1-4(2)5-3-6(10)9(14-13)8(12)7(5)11/h3-4,8-9,12H,1-2H3 	 199.1806 
 MMALNACO3 	 [O]OC(=O)C(O)C(C)(C=O)ON(=O)=O 	 InChI=1S/C5H6NO8/c1-5(2-7,14-6(10)11)3(8)4(9)13-12/h2-3,8H,1H3 	 208.1030 
 MXYBPER2OH 	 OC1C=CC2(C)OOC1(C)C2O 	 InChI=1S/C8H12O4/c1-7-4-3-5(9)8(2,6(7)10)12-11-7/h3-6,9-10H,1-2H3 	 172.1785 
 C827CO2H 	 CC(=O)CCC(=O)C(C)(C)C(=O)O 	 InChI=1S/C9H14O4/c1-6(10)4-5-7(11)9(2,3)8(12)13/h4-5H2,1-3H3,(H,12,13) 	 186.2051 
 HC4ACHO 	 CC(=CC=O)CO 	 InChI=1S/C5H8O2/c1-5(4-7)2-3-6/h2-3,7H,4H2,1H3 	 100.1158 
 IC4H10 	 CC(C)C 	 InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3 	 58.1222 
 PE1ENEAO2 	 CCCC(CO)O[O] 	 InChI=1S/C5H11O3/c1-2-3-5(4-6)8-7/h5-6H,2-4H2,1H3 	 119.1390 
 EMPONO2OOH 	 CCC1=CC(O)(OO)C2(OOC1C2(C)O)N(=O)=O 	 InChI=1S/C9H13NO8/c1-3-5-4-8(12,17-15)9(10(13)14)7(2,11)6(5)16-18-9/h4,6,11-12,15H,3H2,1-2H3 	 263.2014 
 CO36C8 	 CCC(=O)CCC(=O)CC 	 InChI=1S/C8H14O2/c1-3-7(9)5-6-8(10)4-2/h3-6H2,1-2H3 	 142.1956 
 A2PANO 	 OCC(O)C(=O)[O] 	 InChI=1S/C3H5O4/c4-1-2(5)3(6)7/h2,4-5H,1H2 	 105.0694 
 TM123BPOOH 	 OOC1C=CC2(C)OOC1(C)C2(C)O 	 InChI=1S/C9H14O5/c1-7-5-4-6(12-11)8(2,14-13-7)9(7,3)10/h4-6,10-11H,1-3H3 	 202.2045 
 TM124OLOOH 	 OOC1(O)C(=C(C)C2OOC1(C)C2O)C 	 InChI=1S/C9H14O6/c1-4-5(2)9(11,14-12)8(3)7(10)6(4)13-15-8/h6-7,10-12H,1-3H3 	 218.2039 
 H3M3C5OOH 	 CC(O)(CCOO)CC 	 InChI=1S/C6H14O3/c1-3-6(2,7)4-5-9-8/h7-8H,3-5H2,1-2H3 	 134.1736 
 EBZMUCCO2H 	 CCC(=O)C=CC1OC1C(=O)O 	 InChI=1S/C8H10O4/c1-2-5(9)3-4-6-7(12-6)8(10)11/h3-4,6-7H,2H2,1H3,(H,10,11) 	 170.1626 
 NOPINAO 	 [O]C1CC(=O)C2CC1C2(C)C 	 InChI=1S/C9H13O2/c1-9(2)5-3-6(9)8(11)4-7(5)10/h5-7H,3-4H2,1-2H3 	 153.1983 
 NLIMALO 	 O=CCC(CCC(=O)C)C(C)([O])CO[N+](=O)[O-] 	 InChI=1S/C10H16NO6/c1-8(13)3-4-9(5-6-12)10(2,14)7-17-11(15)16/h6,9H,3-5,7H2,1-2H3 	 246.2371 
 MXYQOOH 	 OOC1(C)C(O)C(=O)C=C(C)C1=O 	 InChI=1S/C8H10O5/c1-4-3-5(9)7(11)8(2,13-12)6(4)10/h3,7,11-12H,1-2H3 	 186.1620 
 HMVKAO2 	 CC(=O)C(O)CO[O] 	 InChI=1S/C4H7O4/c1-3(5)4(6)2-8-7/h4,6H,2H2,1H3 	 119.0960 
 C6H5C2OOH 	 OOCCc1ccccc1 	 InChI=1S/C8H10O2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2 	 138.1638 
 PEAO 	 CCCCC[O] 	 InChI=1S/C5H11O/c1-2-3-4-5-6/h2-5H2,1H3 	 87.1402 
 HO36C11 	 CCCCCC(O)CCC(O)CC 	 InChI=1S/C11H24O2/c1-3-5-6-7-11(13)9-8-10(12)4-2/h10-13H,3-9H2,1-2H3 	 188.3071 
 HO36C10 	 CCCCC(O)CCC(O)CC 	 InChI=1S/C10H22O2/c1-3-5-6-10(12)8-7-9(11)4-2/h9-12H,3-8H2,1-2H3 	 174.2805 
 C826CO3OH 	 CCC(=O)C=CC(O)C(=O)C 	 InChI=1S/C8H12O3/c1-3-7(10)4-5-8(11)6(2)9/h4-5,8,11H,3H2,1-2H3 	 156.1791 
 MALDALCO3H 	 OOC(=O)C=CC=O 	 InChI=1S/C4H4O4/c5-3-1-2-4(6)8-7/h1-3,7H 	 116.0722 
 CO234C6 	 CCC(=O)C(=O)C(=O)C 	 InChI=1S/C6H8O3/c1-3-5(8)6(9)4(2)7/h3H2,1-2H3 	 128.1259 
 C1213OH 	 OCCC(=O)C(=O)CC(C)(C)C(O)CCC(=O)O 	 InChI=1S/C12H20O6/c1-12(2,10(16)3-4-11(17)18)7-9(15)8(14)5-6-13/h10,13,16H,3-7H2,1-2H3,(H,17,18) 	 260.2836 
 OXYQO2 	 [O]OC1C(O)C(=O)C(=C(C)C1=O)C 	 InChI=1S/C8H9O5/c1-3-4(2)6(10)8(13-12)7(11)5(3)9/h7-8,11H,1-2H3 	 185.1541 
 DNCRESO 	 O=N(=O)C1=CC2(OOC(C)(C2O)C1([O])O)N(=O)=O 	 InChI=1S/C7H7N2O9/c1-5-4(10)6(9(15)16,18-17-5)2-3(8(13)14)7(5,11)12/h2,4,10-11H,1H3 	 263.1385 
 NC623OOH 	 OCC(C=O)C(C)(OO)CO[N+](=O)[O-] 	 InChI=1S/C6H11NO7/c1-6(14-12,4-13-7(10)11)5(2-8)3-9/h2,5,9,12H,3-4H2,1H3 	 209.1540 
 IC7DCPAN 	 O=C(OON(=O)=O)C=CC(=O)C(C)C 	 InChI=1S/C7H9NO6/c1-5(2)6(9)3-4-7(10)13-14-8(11)12/h3-5H,1-2H3 	 203.1495 
 MC6OTKETO2 	 [O]OC(C)(OC(=O)C(=O)C)C(=O)C 	 InChI=1S/C7H9O6/c1-4(8)6(10)12-7(3,13-11)5(2)9/h1-3H3 	 189.1428 
 C7MJPCO3H 	 OOC(=O)C=C(C)C(=O)C(O)C(=O)CC 	 InChI=1S/C9H12O6/c1-3-6(10)9(13)8(12)5(2)4-7(11)15-14/h4,9,13-14H,3H2,1-2H3 	 216.1880 
 C1213O2 	 OCCC(=O)C(=O)CC(C)(C)C(O[O])CCC(=O)O 	 InChI=1S/C12H19O7/c1-12(2,7-9(15)8(14)5-6-13)10(19-18)3-4-11(16)17/h10,13H,3-7H2,1-2H3,(H,16,17) 	 275.2751 
 OXYQOH 	 OC1C(O)C(=O)C(=C(C)C1=O)C 	 InChI=1S/C8H10O4/c1-3-4(2)6(10)8(12)7(11)5(3)9/h7-8,11-12H,1-2H3 	 170.1626 
 C826CO3O2 	 [O]OC(C=CC(=O)CC)C(=O)C 	 InChI=1S/C8H11O4/c1-3-7(10)4-5-8(12-11)6(2)9/h4-5,8H,3H2,1-2H3 	 171.1705 
 C133CO 	 OCCC(=O)C(=O)CC(C)(C)C(=O)CCC(=O)C 	 InChI=1S/C13H20O5/c1-9(15)4-5-12(18)13(2,3)8-11(17)10(16)6-7-14/h14H,4-8H2,1-3H3 	 256.2949 
 INB1NBCHO 	 OCC(ON(=O)=O)C(C)(C=O)ON(=O)=O 	 InChI=1S/C5H8N2O8/c1-5(3-9,15-7(12)13)4(2-8)14-6(10)11/h3-4,8H,2H2,1H3 	 224.1256 
 ACCOCOETO2 	 [O]OC(C)C(=O)C(=O)OC(=O)C 	 InChI=1S/C6H7O6/c1-3(12-10)5(8)6(9)11-4(2)7/h3H,1-2H3 	 175.1162 
 C510O 	 O=CC(O)C(C)([O])CON(=O)=O 	 InChI=1S/C5H8NO6/c1-5(9,4(8)2-7)3-12-6(10)11/h2,4,8H,3H2,1H3 	 178.1201 
 C3COCPAN 	 CCCC(=O)CC(=O)OON(=O)=O 	 InChI=1S/C6H9NO6/c1-2-3-5(8)4-6(9)12-13-7(10)11/h2-4H2,1H3 	 191.1388 
 C820OOH 	 OCC(OO)(CC(=O)C(=O)C)C(=O)C 	 InChI=1S/C8H12O6/c1-5(10)7(12)3-8(4-9,14-13)6(2)11/h9,13H,3-4H2,1-2H3 	 204.1773 
 H134M3C5 	 OCCC(C)(O)C(C)O 	 InChI=1S/C6H14O3/c1-5(8)6(2,9)3-4-7/h5,7-9H,3-4H2,1-2H3 	 134.1736 
 C95O2 	 CCCC(=O)C(=O)C(O[O])C(=O)CC 	 InChI=1S/C9H13O5/c1-3-5-7(11)8(12)9(14-13)6(10)4-2/h9H,3-5H2,1-2H3 	 201.1965 
 VINCL 	 ClC=C 	 InChI=1S/C2H3Cl/c1-2-3/h2H,1H2 	 62.4982 
 ETHFORMNO3 	 O=COC(C)ON(=O)=O 	 InChI=1S/C3H5NO5/c1-3(8-2-5)9-4(6)7/h2-3H,1H3 	 135.0755 
 C41NO3 	 OCC(ON(=O)=O)C(O)C=O 	 InChI=1S/C4H7NO6/c6-1-3(8)4(2-7)11-5(9)10/h1,3-4,7-8H,2H2 	 165.1015 
 C623NO3 	 OCC(C=O)C(C)(CO)O[N+](=O)[O-] 	 InChI=1S/C6H11NO6/c1-6(4-10,13-7(11)12)5(2-8)3-9/h2,5,9-10H,3-4H2,1H3 	 193.1546 
 LMKOOA 	 O=CCC(CCC(=[O+][O-])C)C(=O)C 	 InChI=1S/C9H14O4/c1-7(13-12)3-4-9(5-6-10)8(2)11/h6,9H,3-5H2,1-2H3 	 186.2051 
 LMKOOB 	 [O-][O+]=CCC(CCC(=O)C)C(=O)C 	 InChI=1S/C9H14O4/c1-7(10)3-4-9(8(2)11)5-6-13-12/h6,9H,3-5H2,1-2H3 	 186.2051 
 HEX1ENE 	 CCCCC=C 	 InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3 	 84.1595 
 IPRACBOOH 	 CC(COO)OC(=O)C 	 InChI=1S/C5H10O4/c1-4(3-8-7)9-5(2)6/h4,7H,3H2,1-2H3 	 134.1305 
 BUTALAOOH 	 CCC(OO)C=O 	 InChI=1S/C4H8O3/c1-2-4(3-5)7-6/h3-4,6H,2H2,1H3 	 104.1045 
 BCLKCO 	 O=CC([O])CC(=O)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H21O4/c1-9(16)4-5-12-11(7-14(12,2)3)13(18)6-10(17)8-15/h8,10-12H,4-7H2,1-3H3 	 253.3141 
 NOAOOA 	 [O-][O+]=C(C)CON(=O)=O 	 InChI=1S/C3H5NO5/c1-3(9-7)2-8-4(5)6/h2H2,1H3 	 135.0755 
 H1MC5O 	 OCCC(C)C(C)[O] 	 InChI=1S/C6H13O2/c1-5(3-4-7)6(2)8/h5-7H,3-4H2,1-2H3 	 117.1662 
 CATECOOA 	 [O-][O+]=C(O)/C=C/C=C/C(=O)O 	 InChI=1S/C6H6O5/c7-5(8)3-1-2-4-6(9)11-10/h1-4,9H,(H,7,8)/b3-1+,4-2+ 	 158.1088 
 CHOOMPAN 	 O=COCC(=O)OON(=O)=O 	 InChI=1S/C3H3NO7/c5-2-9-1-3(6)10-11-4(7)8/h2H,1H2 	 165.0584 
 C7BDCO 	 CC(=O)C(O)C(C)([O])C(=O)C 	 InChI=1S/C7H11O4/c1-4(8)6(10)7(3,11)5(2)9/h6,10H,1-3H3 	 159.1598 
 C818OOH 	 OCC(CC(OO)C(=O)C)C(=O)C 	 InChI=1S/C8H14O5/c1-5(10)7(4-9)3-8(13-12)6(2)11/h7-9,12H,3-4H2,1-2H3 	 190.1938 
 HO2M2C4O 	 [O]CCC(C)(C)O 	 InChI=1S/C5H11O2/c1-5(2,7)3-4-6/h7H,3-4H2,1-2H3 	 103.1396 
 PC3ODBCO2H 	 CCCC(=CC=O)C(=O)O 	 InChI=1S/C7H10O3/c1-2-3-6(4-5-8)7(9)10/h4-5H,2-3H2,1H3,(H,9,10) 	 142.1525 
 MBOOO 	 [O-][O+]=CC(C)(C)O 	 InChI=1S/C4H8O3/c1-4(2,5)3-7-6/h3,5H,1-2H3 	 104.1045 
 C6COOHCO3H 	 CC(=CC(=O)OO)C(=O)C(O)C=O 	 InChI=1S/C7H8O6/c1-4(2-6(10)13-12)7(11)5(9)3-8/h2-3,5,9,12H,1H3 	 188.1348 
 C6O132OH 	 CCCC(=O)C(O)C=O 	 InChI=1S/C6H10O3/c1-2-3-5(8)6(9)4-7/h4,6,9H,2-3H2,1H3 	 130.1418 
 IPROC21NO3 	 CC(C)OC(C)ON(=O)=O 	 InChI=1S/C5H11NO4/c1-4(2)9-5(3)10-6(7)8/h4-5H,1-3H3 	 149.1451 
 NPETLQOOH 	 CCC1=CC(=O)C(C)(OO)C(ON(=O)=O)C1=O 	 InChI=1S/C9H11NO7/c1-3-5-4-6(11)9(2,17-15)8(7(5)12)16-10(13)14/h4,8,15H,3H2,1-2H3 	 245.1861 
 C57O2 	 OCC(O)C(C)(O[O])C=O 	 InChI=1S/C5H9O5/c1-5(3-7,10-9)4(8)2-6/h3-4,6,8H,2H2,1H3 	 149.1220 
 HOHOC4DIAL 	 O=CC(O)C(O)C=O 	 InChI=1S/C4H6O4/c5-1-3(7)4(8)2-6/h1-4,7-8H 	 118.0880 
 TLEMUCOOH 	 OOC(C(=O)C)C(O)C1OC1C=O 	 InChI=1S/C7H10O6/c1-3(9)6(13-11)5(10)7-4(2-8)12-7/h2,4-7,10-11H,1H3 	 190.1507 
 C4DBMECO3H 	 OOC(=O)C(=C(CC)C(=O)C=O)C 	 InChI=1S/C8H10O5/c1-3-6(7(10)4-9)5(2)8(11)13-12/h4,12H,3H2,1-2H3 	 186.1620 
 H2M2C65OOH 	 OOC(C)CCC(C)(C)O 	 InChI=1S/C7H16O3/c1-6(10-9)4-5-7(2,3)8/h6,8-9H,4-5H2,1-3H3 	 148.2001 
 NC61CO3 	 O=CC(=O)CC(=O)C(C)(ON(=O)=O)C(=O)O[O] 	 InChI=1S/C7H6NO9/c1-7(6(12)16-15,17-8(13)14)5(11)2-4(10)3-9/h3H,2H2,1H3 	 248.1238 
 DNOXYOLOOH 	 OOC1(O)C(=C(C)C2(C)OOC1(N(=O)=O)C2O)N(=O)=O 	 InChI=1S/C8H10N2O10/c1-3-4(9(13)14)8(12,18-17)7(10(15)16)5(11)6(3,2)19-20-7/h5,11-12,17H,1-2H3 	 294.1724 
 OCCOHCO 	 OC(C[O])C=O 	 InChI=1S/C3H5O3/c4-1-3(6)2-5/h1,3,6H,2H2 	 89.0700 
 HO2C3CO3H 	 OOC(=O)CC(C)O 	 InChI=1S/C4H8O4/c1-3(5)2-4(6)8-7/h3,5,7H,2H2,1H3 	 120.1039 
 LMLKBOOH 	 OOCC(=O)CCC(CC=O)C(=O)C 	 InChI=1S/C9H14O5/c1-7(11)8(4-5-10)2-3-9(12)6-14-13/h5,8,13H,2-4,6H2,1H3 	 202.2045 
 C57OH 	 OCC(O)C(C)(O)C=O 	 InChI=1S/C5H10O4/c1-5(9,3-7)4(8)2-6/h3-4,6,8-9H,2H2,1H3 	 134.1305 
 MNNCATECO 	 O=N(=O)OC1C2OOC1(C)C([O])(O)C(=C2N(=O)=O)O 	 InChI=1S/C7H7N2O10/c1-6-5(17-9(15)16)3(18-19-6)2(8(13)14)4(10)7(6,11)12/h3,5,10-11H,1H3 	 279.1379 
 DMPHGLYOX 	 O=CC(=O)c1cc(C)cc(C)c1 	 InChI=1S/C10H10O2/c1-7-3-8(2)5-9(4-7)10(12)6-11/h3-6H,1-2H3 	 162.1852 
 HO3C5NO3 	 CCC(O)CCON(=O)=O 	 InChI=1S/C5H11NO4/c1-2-5(7)3-4-10-6(8)9/h5,7H,2-4H2,1H3 	 149.1451 
 C6CO243OH 	 CCC(=O)C(O)C(=O)C 	 InChI=1S/C6H10O3/c1-3-5(8)6(9)4(2)7/h6,9H,3H2,1-2H3 	 130.1418 
 MO2EOLBNO3 	 OCCOCON(=O)=O 	 InChI=1S/C3H7NO5/c5-1-2-8-3-9-4(6)7/h5H,1-3H2 	 137.0914 
 NBCALOH 	 O=CCCC(O)(CO[N+](=O)[O-])C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C15H25NO6/c1-11(18)5-6-12-13(9-14(12,2)3)15(19,7-4-8-17)10-22-16(20)21/h8,12-13,19H,4-7,9-10H2,1-3H3 	 315.3621 
 PXY1O2 	 [O]Oc1cc(C)ccc1C 	 InChI=1S/C8H9O2/c1-6-3-4-7(2)8(5-6)10-9/h3-5H,1-2H3 	 137.1559 
 C7DCOH 	 CCCC(=O)C(O)C(O)C=O 	 InChI=1S/C7H12O4/c1-2-3-5(9)7(11)6(10)4-8/h4,6-7,10-11H,2-3H2,1H3 	 160.1678 
 IPBZBPROOH 	 OOC1C=CC2(OOC1C2O)C(C)C 	 InChI=1S/C9H14O5/c1-5(2)9-4-3-6(12-11)7(8(9)10)13-14-9/h3-8,10-11H,1-2H3 	 202.2045 
 C4NO3PAN 	 CCCC(ON(=O)=O)C(=O)OON(=O)=O 	 InChI=1S/C5H8N2O8/c1-2-3-4(13-6(9)10)5(8)14-15-7(11)12/h4H,2-3H2,1H3 	 224.1256 
 C4DBM2CO3H 	 OOC(=O)C(=C(C)C(=O)C=O)C 	 InChI=1S/C7H8O5/c1-4(6(9)3-8)5(2)7(10)12-11/h3,11H,1-2H3 	 172.1354 
 PNNCATECO2 	 CCCC12OOC(C(=C(O)C2(O)O[O])N(=O)=O)C1ON(=O)=O 	 InChI=1S/C9H11N2O11/c1-2-3-8-7(19-11(16)17)5(20-22-8)4(10(14)15)6(12)9(8,13)21-18/h5,7,12-13H,2-3H2,1H3 	 323.1904 
 IPROPOLPAN 	 O=N(=O)OOC(=O)C(C)O 	 InChI=1S/C3H5NO6/c1-2(5)3(6)9-10-4(7)8/h2,5H,1H3 	 151.0749 
 HYETHO2H 	 OCCOO 	 InChI=1S/C2H6O3/c3-1-2-5-4/h3-4H,1-2H2 	 78.0672 
 C7DCO2 	 CCCC(=O)C(O[O])C(O)C=O 	 InChI=1S/C7H11O5/c1-2-3-5(9)7(12-11)6(10)4-8/h4,6-7,10H,2-3H2,1H3 	 175.1592 
 NAPINBOOH 	 OOC1CC2CC(C1(C)ON(=O)=O)C2(C)C 	 InChI=1S/C10H17NO5/c1-9(2)6-4-7(9)10(3,16-11(12)13)8(5-6)15-14/h6-8,14H,4-5H2,1-3H3 	 231.2457 
 EOX2EOL 	 OCCOCC 	 InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3 	 90.1210 
 NBCALO2 	 O=CCCC(O[O])(CO[N+](=O)[O-])C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C15H24NO7/c1-11(18)5-6-12-13(9-14(12,2)3)15(23-21,7-4-8-17)10-22-16(19)20/h8,12-13H,4-7,9-10H2,1-3H3 	 330.3536 
 A2PANOO 	 OCC(O)C(=O)O[O] 	 InChI=1S/C3H5O5/c4-1-2(5)3(6)8-7/h2,4-5H,1H2 	 121.0688 
 ACCOETOOH 	 CC(=O)OC(=O)CCOO 	 InChI=1S/C5H8O5/c1-4(6)10-5(7)2-3-9-8/h8H,2-3H2,1H3 	 148.1140 
 C717OOH 	 O=CCC(OO)CC(=O)C(=O)C 	 InChI=1S/C7H10O5/c1-5(9)7(10)4-6(12-11)2-3-8/h3,6,11H,2,4H2,1H3 	 174.1513 
 MXYLNO3 	 O=N(=O)OCc1cccc(C)c1 	 InChI=1S/C8H9NO3/c1-7-3-2-4-8(5-7)6-12-9(10)11/h2-5H,6H2,1H3 	 167.1620 
 HMACR 	 OCC(=C)C=O 	 InChI=1S/C4H6O2/c1-4(2-5)3-6/h2,6H,1,3H2 	 86.0892 
 HM23C4O2 	 [O]OCC(C)C(C)CO 	 InChI=1S/C6H13O3/c1-5(3-7)6(2)4-9-8/h5-7H,3-4H2,1-2H3 	 133.1656 
 MTBEACHO13 	 O=COC(C)(C)C=O 	 InChI=1S/C5H8O3/c1-5(2,3-6)8-4-7/h3-4H,1-2H3 	 116.1152 
 CHOC3DIOL 	 OC(CC=O)CO 	 InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h2,4,6-7H,1,3H2 	 104.1045 
 DE35TO 	 CCc1cc(C)cc(c1)C(C)[O] 	 InChI=1S/C11H15O/c1-4-10-5-8(2)6-11(7-10)9(3)12/h5-7,9H,4H2,1-3H3 	 163.2362 
 MCATECOOA 	 [O-][O+]=C(O)C(=C/C=C/C(=O)O)C 	 InChI=1S/C7H8O5/c1-5(7(10)12-11)3-2-4-6(8)9/h2-4,10H,1H3,(H,8,9)/b4-2+,5-3? 	 172.1354 
 C826OH 	 O=CCC(CC=O)C(C)(O)CO 	 InChI=1S/C8H14O4/c1-8(12,6-11)7(2-4-9)3-5-10/h4-5,7,11-12H,2-3,6H2,1H3 	 174.1944 
 C7DDCOOH 	 CC(OO)(C=O)C(O)C(=O)CC 	 InChI=1S/C7H12O5/c1-3-5(9)6(10)7(2,4-8)12-11/h4,6,10-11H,3H2,1-2H3 	 176.1672 
 BCLKCCO 	 O=CC(=O)CC(=O)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H20O4/c1-9(16)4-5-12-11(7-14(12,2)3)13(18)6-10(17)8-15/h8,11-12H,4-7H2,1-3H3 	 252.3062 
 CO3C4CO2H 	 CCC(=O)CC(=O)O 	 InChI=1S/C5H8O3/c1-2-4(6)3-5(7)8/h2-3H2,1H3,(H,7,8) 	 116.1152 
 COO2C4CO3H 	 COC(=O)CCC(=O)OO 	 InChI=1S/C5H8O5/c1-9-4(6)2-3-5(7)10-8/h8H,2-3H2,1H3 	 148.1140 
 PEBQCO 	 O=CC(=O)C=C(CC)C(=O)CO.O=C1CCC(=O)C(=C1)C 	 InChI=1S/C8H10O4.C7H8O2/c1-2-6(8(12)5-10)3-7(11)4-9;1-5-4-6(8)2-3-7(5)9/h3-4,10H,2,5H2,1H3;4H,2-3H2,1H3 	 294.2998 
 NMETLQO 	 CCC1=CC(=O)C(ON(=O)=O)C(C)([O])C1=O 	 InChI=1S/C9H10NO6/c1-3-5-4-6(11)8(16-10(14)15)9(2,13)7(5)12/h4,8H,3H2,1-2H3 	 228.1788 
 C6H5C2H4O2 	 [O]OCCc1ccccc1 	 InChI=1S/C8H9O2/c9-10-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2 	 137.1559 
 C116O 	 [O]CCC(=O)C1CC(C)(C)C1CC=O 	 InChI=1S/C11H17O3/c1-11(2)7-8(9(11)3-5-12)10(14)4-6-13/h5,8-9H,3-4,6-7H2,1-2H3 	 197.2509 
 C6COALCO2H 	 O=CCCC(=O)CC(=O)O 	 InChI=1S/C6H8O4/c7-3-1-2-5(8)4-6(9)10/h3H,1-2,4H2,(H,9,10) 	 144.1253 
 HM22CO3H 	 OOC(=O)C(C)(C)CO 	 InChI=1S/C5H10O4/c1-5(2,3-6)4(7)9-8/h6,8H,3H2,1-2H3 	 134.1305 
 CO3C5CO2H 	 CCC(=O)CCC(=O)O 	 InChI=1S/C6H10O3/c1-2-5(7)3-4-6(8)9/h2-4H2,1H3,(H,8,9) 	 130.1418 
 H2M3C4CO3 	 [O]OC(=O)CC(C)C(C)O 	 InChI=1S/C6H11O4/c1-4(5(2)7)3-6(8)10-9/h4-5,7H,3H2,1-2H3 	 147.1491 
 C23O3MCHO 	 O=CC(C)OC(=O)C(=O)C 	 InChI=1S/C6H8O4/c1-4(3-7)10-6(9)5(2)8/h3-4H,1-2H3 	 144.1253 
 NDNOETLOOH 	 CCC12OOC(N(=O)=O)(C2ON(=O)=O)C(O)(OO)C(=C1C)N(=O)=O 	 InChI=1S/C9H11N3O12/c1-3-7-4(2)5(10(14)15)9(13,22-20)8(11(16)17,24-23-7)6(7)21-12(18)19/h6,13,20H,3H2,1-2H3 	 353.1965 
 C616OH 	 O=CCCC(=O)C(O)C=O 	 InChI=1S/C6H8O4/c7-3-1-2-5(9)6(10)4-8/h3-4,6,10H,1-2H2 	 144.1253 
 C826O2 	 O=CCC(CC=O)C(C)(CO)O[O] 	 InChI=1S/C8H13O5/c1-8(6-11,13-12)7(2-4-9)3-5-10/h4-5,7,11H,2-3,6H2,1H3 	 189.1858 
 C6H5CH2PAN 	 O=C(OON(=O)=O)Cc1ccccc1 	 InChI=1S/C8H7NO5/c10-8(13-14-9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2 	 197.1449 
 DE35TOOH 	 OOC(C)c1cc(CC)cc(C)c1 	 InChI=1S/C11H16O2/c1-4-10-5-8(2)6-11(7-10)9(3)13-12/h5-7,9,12H,4H2,1-3H3 	 180.2435 
 NBUACBOH 	 CCC(O)COC(=O)C 	 InChI=1S/C6H12O3/c1-3-6(8)4-9-5(2)7/h6,8H,3-4H2,1-2H3 	 132.1577 
 HM23C4OH 	 OCC(C)C(C)CO 	 InChI=1S/C6H14O2/c1-5(3-7)6(2)4-8/h5-8H,3-4H2,1-2H3 	 118.1742 
 OXYMUCOOH 	 OOC(C=O)C(O)C1(C)OC1(C)C=O 	 InChI=1S/C8H12O6/c1-7(4-10)8(2,14-7)6(11)5(3-9)13-12/h3-6,11-12H,1-2H3 	 204.1773 
 C62NO33CO 	 CCCC(=O)C(C)ON(=O)=O 	 InChI=1S/C6H11NO4/c1-3-4-6(8)5(2)11-7(9)10/h5H,3-4H2,1-2H3 	 161.1558 
 LIMBCO 	 CC(=C)C1CCC(C)(O)C(=O)C1 	 InChI=1S/C10H16O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8,12H,1,4-6H2,2-3H3 	 168.2328 
 MTBEAALOOH 	 OOCC(C)(C)OC=O 	 InChI=1S/C5H10O4/c1-5(2,3-9-7)8-4-6/h4,7H,3H2,1-2H3 	 134.1305 
 NC71O2 	 [O]OC1CC(=O)CC(=O)C1(C)ON(=O)=O 	 InChI=1S/C7H8NO7/c1-7(15-8(11)12)5(10)2-4(9)3-6(7)14-13/h6H,2-3H2,1H3 	 218.1409 
 EOCOCH2O2 	 CCOC(=O)CO[O] 	 InChI=1S/C4H7O4/c1-2-7-4(5)3-8-6/h2-3H2,1H3 	 119.0960 
 METLMUCCO3 	 CCC(=O)C=CC1OC1(C)C(=O)O[O] 	 InChI=1S/C9H11O5/c1-3-6(10)4-5-7-9(2,13-7)8(11)14-12/h4-5,7H,3H2,1-2H3 	 199.1806 
 C728NO3 	 O=CCC(CO)C(C)(CO)O[N+](=O)[O-] 	 InChI=1S/C7H13NO6/c1-7(5-11,14-8(12)13)6(4-10)2-3-9/h3,6,10-11H,2,4-5H2,1H3 	 207.1812 
 C43OHCOCHO 	 CCC(O)CC(=O)C=O 	 InChI=1S/C6H10O3/c1-2-5(8)3-6(9)4-7/h4-5,8H,2-3H2,1H3 	 130.1418 
 IPBZMUCCO 	 O=CC1OC1C(O)C(=O)C(=O)C(C)C 	 InChI=1S/C9H12O5/c1-4(2)6(11)7(12)8(13)9-5(3-10)14-9/h3-5,8-9,13H,1-2H3 	 200.1886 
 C736OOH 	 OOCC(=O)C(=C)CCC=O 	 InChI=1S/C7H10O4/c1-6(3-2-4-8)7(9)5-11-10/h4,10H,1-3,5H2 	 158.1519 
 C8CO2DCO3H 	 CCCC(=CC(=O)C=O)C(=O)OO 	 InChI=1S/C8H10O5/c1-2-3-6(8(11)13-12)4-7(10)5-9/h4-5,12H,2-3H2,1H3 	 186.1620 
 MCOCOMOXO2 	 CC(=O)C(=O)OCO[O] 	 InChI=1S/C4H5O5/c1-3(5)4(6)8-2-9-7/h2H2,1H3 	 133.0795 
 MEKCOOH 	 CCC(=O)COO 	 InChI=1S/C4H8O3/c1-2-4(5)3-7-6/h6H,2-3H2,1H3 	 104.1045 
 CL12CO3 	 [O]OC(=O)C(Cl)CCl 	 InChI=1S/C3H3Cl2O3/c4-1-2(5)3(6)8-7/h2H,1H2 	 157.9601 
 NPBFUO 	 CCCC1OC(=O)C([O])C1ON(=O)=O 	 InChI=1S/C7H10NO6/c1-2-3-4-6(14-8(11)12)5(9)7(10)13-4/h4-6H,2-3H2,1H3 	 204.1574 
 HM22C3CO2H 	 OCC(C)(C)CC(=O)O 	 InChI=1S/C6H12O3/c1-6(2,4-7)3-5(8)9/h7H,3-4H2,1-2H3,(H,8,9) 	 132.1577 
 C2CL32OH 	 OC(Cl)C(O)(Cl)Cl 	 InChI=1S/C2H3Cl3O2/c3-1(6)2(4,5)7/h1,6-7H 	 165.4030 
 NOPINAO2 	 [O]OC1CC(=O)C2CC1C2(C)C 	 InChI=1S/C9H13O3/c1-9(2)5-3-6(9)8(12-11)4-7(5)10/h5-6,8H,3-4H2,1-2H3 	 169.1977 
 H13M3C5 	 OCCC(C)(O)CC 	 InChI=1S/C6H14O2/c1-3-6(2,8)4-5-7/h7-8H,3-5H2,1-2H3 	 118.1742 
 CH3SCHO 	 CSC=O 	 InChI=1S/C2H4OS/c1-4-2-3/h2H,1H3 	 76.1176 
 BUT2OLO2 	 [O]OC(C)C(C)O 	 InChI=1S/C4H9O3/c1-3(5)4(2)7-6/h3-5H,1-2H3 	 105.1125 
 CL2OHCH2O2 	 [O]OCC(O)(Cl)Cl 	 InChI=1S/C2H3Cl2O3/c3-2(4,5)1-7-6/h5H,1H2 	 145.9494 
 TCE2OH 	 OC(Cl)(Cl)C(O)(Cl)Cl 	 InChI=1S/C2H2Cl4O2/c3-1(4,7)2(5,6)8/h7-8H 	 199.8481 
 COO2C4CO3 	 COC(=O)CCC(=O)O[O] 	 InChI=1S/C5H7O5/c1-9-4(6)2-3-5(7)10-8/h2-3H2,1H3 	 147.1061 
 TM123OLOH 	 CC1=C(C)C2(C)OOC(C2O)C1(O)O 	 InChI=1S/C9H14O5/c1-4-5(2)9(11,12)7-6(10)8(4,3)14-13-7/h6-7,10-12H,1-3H3 	 202.2045 
 BOX2EOHAO2 	 CCCC(O[O])OCCO 	 InChI=1S/C6H13O4/c1-2-3-6(10-8)9-5-4-7/h6-7H,2-5H2,1H3 	 149.1650 
 C4OCCOHOOH 	 OOC(C)C(O)C=O 	 InChI=1S/C4H8O4/c1-3(8-7)4(6)2-5/h2-4,6-7H,1H3 	 120.1039 
 M2PEBOOH 	 OOC(C)CC(C)C 	 InChI=1S/C6H14O2/c1-5(2)4-6(3)8-7/h5-7H,4H2,1-3H3 	 118.1742 
 C5CODBCO3H 	 CC(=CC(=O)C)C(=O)OO 	 InChI=1S/C6H8O4/c1-4(3-5(2)7)6(8)10-9/h3,9H,1-2H3 	 144.1253 
 MSIA 	 CS(=O)O 	 InChI=1S/CH4O2S/c1-4(2)3/h1H3,(H,2,3) 	 80.1063 
 IBUTOLBO 	 OCC(C)(C)[O] 	 InChI=1S/C4H9O2/c1-4(2,6)3-5/h5H,3H2,1-2H3 	 89.1131 
 HMVKBCO3 	 OCC(C(=O)C)C(=O)O[O] 	 InChI=1S/C5H7O5/c1-3(7)4(2-6)5(8)10-9/h4,6H,2H2,1H3 	 147.1061 
 PCATECHOL 	 CCCc1cccc(O)c1O 	 InChI=1S/C9H12O2/c1-2-4-7-5-3-6-8(10)9(7)11/h3,5-6,10-11H,2,4H2,1H3 	 152.1904 
 LIMBO 	 CC(=C)C1CCC(C)(O)C([O])C1 	 InChI=1S/C10H17O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,12H,1,4-6H2,2-3H3 	 169.2408 
 HO4CO7C9 	 CCCC(O)CCC(=O)CC 	 InChI=1S/C9H18O2/c1-3-5-9(11)7-6-8(10)4-2/h9,11H,3-7H2,1-2H3 	 158.2380 
 TM123OLO2 	 [O]OC1(O)C2OOC(C)(C2O)C(=C1C)C 	 InChI=1S/C9H13O6/c1-4-5(2)9(11,14-12)7-6(10)8(4,3)15-13-7/h6-7,10-11H,1-3H3 	 217.1959 
 HEX2ONCOOH 	 CCCC(OO)C(=O)C 	 InChI=1S/C6H12O3/c1-3-4-6(9-8)5(2)7/h6,8H,3-4H2,1-2H3 	 132.1577 
 BUT2OLOH 	 CC(O)C(C)O 	 InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3 	 90.1210 
 DETLMUPAN 	 CCC(=O)C=C(C)C1OC1(CC)C(=O)OON(=O)=O 	 InChI=1S/C11H15NO7/c1-4-8(13)6-7(3)9-11(5-2,17-9)10(14)18-19-12(15)16/h6,9H,4-5H2,1-3H3 	 273.2393 
 CL2OHCH2OH 	 OCC(O)(Cl)Cl 	 InChI=1S/C2H4Cl2O2/c3-2(4,6)1-5/h5-6H,1H2 	 130.9580 
 NOPINAOH 	 OC1CC(=O)C2CC1C2(C)C 	 InChI=1S/C9H14O2/c1-9(2)5-3-6(9)8(11)4-7(5)10/h5-7,10H,3-4H2,1-2H3 	 154.2063 
 IPBENZOLOH 	 CC(C)C12OOC(C2O)C(O)(O)C=C1 	 InChI=1S/C9H14O5/c1-5(2)8-3-4-9(11,12)7(6(8)10)13-14-8/h3-7,10-12H,1-2H3 	 202.2045 
 MC7CO2O 	 CC([O])(C=CC=O)C(=O)CC 	 InChI=1S/C8H11O3/c1-3-7(10)8(2,11)5-4-6-9/h4-6H,3H2,1-2H3 	 155.1711 
 EPXMDLPAN 	 O=CC1(C)OC1C(=O)OON(=O)=O 	 InChI=1S/C5H5NO7/c1-5(2-7)3(11-5)4(8)12-13-6(9)10/h2-3H,1H3 	 191.0957 
 LIMALAOH 	 O=CCC(CC(O)C(=O)C)C(=C)C 	 InChI=1S/C10H16O3/c1-7(2)9(4-5-11)6-10(13)8(3)12/h5,9-10,13H,1,4,6H2,2-3H3 	 184.2322 
 C87PAN 	 O=CC(C(=O)CC(=O)OON(=O)=O)C(C)(C)C=O 	 InChI=1S/C9H11NO8/c1-9(2,5-12)6(4-11)7(13)3-8(14)17-18-10(15)16/h4-6H,3H2,1-2H3 	 261.1855 
 MC4CONO3O2 	 [O]OCC(C)(ON(=O)=O)C(=O)C 	 InChI=1S/C5H8NO6/c1-4(7)5(2,3-11-10)12-6(8)9/h3H2,1-2H3 	 178.1201 
 H2M4C65O2 	 [O]OC(C)C(C)CC(C)O 	 InChI=1S/C7H15O3/c1-5(4-6(2)8)7(3)10-9/h5-8H,4H2,1-3H3 	 147.1922 
 C62CPAN 	 O=N(=O)OOC(=O)C(O)C(=O)C(=O)C(C)C 	 InChI=1S/C7H9NO8/c1-3(2)4(9)5(10)6(11)7(12)15-16-8(13)14/h3,6,11H,1-2H3 	 235.1483 
 ME3BU2OLO2 	 [O]OCC(O)C(C)C 	 InChI=1S/C5H11O3/c1-4(2)5(6)3-8-7/h4-6H,3H2,1-2H3 	 119.1390 
 SBUACETBO2 	 CC(OC(=O)C)C(C)O[O] 	 InChI=1S/C6H11O4/c1-4(5(2)10-8)9-6(3)7/h4-5H,1-3H3 	 147.1491 
 M3PEAO 	 [O]CCC(C)CC 	 InChI=1S/C6H13O/c1-3-6(2)4-5-7/h6H,3-5H2,1-2H3 	 101.1668 
 HC3CCO3 	 OC(C=C)C(=O)O[O] 	 InChI=1S/C4H5O4/c1-2-3(5)4(6)8-7/h2-3,5H,1H2 	 117.0801 
 NBCKO2 	 [O]OC1(C)CCC2C(CC2(C)C)C(=O)CCC1O[N+](=O)[O-] 	 InChI=1S/C14H22NO6/c1-13(2)8-9-10(13)6-7-14(3,21-19)12(20-15(17)18)5-4-11(9)16/h9-10,12H,4-8H2,1-3H3 	 300.3276 
 CO1C6NO3 	 O=CCCCCCON(=O)=O 	 InChI=1S/C6H11NO4/c8-5-3-1-2-4-6-11-7(9)10/h5H,1-4,6H2 	 161.1558 
 NDNT124LO2 	 [O]OC1(O)C(=C(C)C2(OOC1(C)C2(C)ON(=O)=O)N(=O)=O)N(=O)=O 	 InChI=1S/C9H10N3O12/c1-4-5(10(14)15)9(13,22-20)7(3)6(2,21-12(18)19)8(4,11(16)17)24-23-7/h13H,1-3H3 	 352.1886 
 LIMALAO2 	 O=CCC(CC(O[O])C(=O)C)C(=C)C 	 InChI=1S/C10H15O4/c1-7(2)9(4-5-11)6-10(14-13)8(3)12/h5,9-10H,1,4,6H2,2-3H3 	 199.2237 
 IPBENZOLO2 	 [O]OC1(O)C=CC2(OOC1C2O)C(C)C 	 InChI=1S/C9H13O6/c1-5(2)8-3-4-9(11,14-12)7(6(8)10)13-15-8/h3-7,10-11H,1-2H3 	 217.1959 
 C5CONO3OOH 	 OOC(C)(C)C(=O)CON(=O)=O 	 InChI=1S/C5H9NO6/c1-5(2,12-10)4(7)3-11-6(8)9/h10H,3H2,1-2H3 	 179.1281 
 HOIPRCO2H 	 OCC(C)C(=O)O 	 InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7) 	 104.1045 
 ETBEBNO3 	 O=N(=O)OC(C)OC(C)(C)C 	 InChI=1S/C6H13NO4/c1-5(11-7(8)9)10-6(2,3)4/h5H,1-4H3 	 163.1717 
 M2CO5C6 	 CC(C)CCC(=O)C 	 InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3 	 114.1855 
 IBUTOLBNO3 	 OCC(C)(C)ON(=O)=O 	 InChI=1S/C4H9NO4/c1-4(2,3-6)9-5(7)8/h6H,3H2,1-2H3 	 135.1186 
 MACO3 	 CC(=C)C(=O)O[O] 	 InChI=1S/C4H5O3/c1-3(2)4(5)7-6/h1H2,2H3 	 101.0807 
 MEBFUOH 	 CCC1OC(=O)C(C)(O)C1O 	 InChI=1S/C7H12O4/c1-3-4-5(8)7(2,10)6(9)11-4/h4-5,8,10H,3H2,1-2H3 	 160.1678 
 METLBIPNO3 	 CCC12OOC(C)(C=CC1ON(=O)=O)C2O 	 InChI=1S/C9H13NO6/c1-3-9-6(14-10(12)13)4-5-8(2,7(9)11)15-16-9/h4-7,11H,3H2,1-2H3 	 231.2026 
 ACBUONBOH 	 CCC(=O)C(O)OC(=O)C 	 InChI=1S/C6H10O4/c1-3-5(8)6(9)10-4(2)7/h6,9H,3H2,1-2H3 	 146.1412 
 C57NO3PAN 	 OCC(O)C(C)(ON(=O)=O)C(=O)OON(=O)=O 	 InChI=1S/C5H8N2O10/c1-5(3(9)2-8,16-6(11)12)4(10)15-17-7(13)14/h3,8-9H,2H2,1H3 	 256.1244 
 MEBFUO2 	 CC1(O[O])C(O)C(CC)OC1=O 	 InChI=1S/C7H11O5/c1-3-4-5(8)7(2,12-10)6(9)11-4/h4-5,8H,3H2,1-2H3 	 175.1592 
 NOPINOO 	 [O-][O+]=C1CCC2CC1C2(C)C 	 InChI=1S/C9H14O2/c1-9(2)6-3-4-8(11-10)7(9)5-6/h6-7H,3-5H2,1-2H3 	 154.2063 
 NMXYOLOOH 	 OOC1(O)C=CC2(C)OOC1(C)C2ON(=O)=O 	 InChI=1S/C8H11NO8/c1-6-3-4-8(10,15-13)7(2,17-16-6)5(6)14-9(11)12/h3-5,10,13H,1-2H3 	 249.1748 
 H2M3C4O2 	 [O]OCC(C)C(C)O 	 InChI=1S/C5H11O3/c1-4(3-8-7)5(2)6/h4-6H,3H2,1-2H3 	 119.1390 
 NC3CO3 	 [O]OC(=O)C=CCON(=O)=O 	 InChI=1S/C4H4NO6/c6-4(11-9)2-1-3-10-5(7)8/h1-2H,3H2 	 162.0777 
 HM2C43O 	 OCC(C)C(C)[O] 	 InChI=1S/C5H11O2/c1-4(3-6)5(2)7/h4-6H,3H2,1-2H3 	 103.1396 
 C23O3EHO 	 CCC(=O)OC(=O)C(=O)C 	 InChI=1S/C6H8O4/c1-3-5(8)10-6(9)4(2)7/h3H2,1-2H3 	 144.1253 
 CO25C73OOH 	 OOC(CC(=O)CC)C(=O)C 	 InChI=1S/C7H12O4/c1-3-6(9)4-7(11-10)5(2)8/h7,10H,3-4H2,1-2H3 	 160.1678 
 NEBFUONE 	 CCC1OC(=O)C(ON(=O)=O)C1=O 	 InChI=1S/C6H7NO6/c1-2-3-4(8)5(6(9)12-3)13-7(10)11/h3,5H,2H2,1H3 	 189.1229 
 HM22C3OH 	 OCC(C)(C)CO 	 InChI=1S/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3 	 104.1476 
 CLCOCLO 	 ClC(=O)C([O])Cl 	 InChI=1S/C2HCl2O2/c3-1(5)2(4)6/h1H 	 127.9341 
 C7DDCO2 	 CC(O[O])(C=O)C(O)C(=O)CC 	 InChI=1S/C7H11O5/c1-3-5(9)6(10)7(2,4-8)12-11/h4,6,10H,3H2,1-2H3 	 175.1592 
 INB1NBPAN 	 OCC(ON(=O)=O)C(C)(ON(=O)=O)C(=O)OON(=O)=O 	 InChI=1S/C5H7N3O12/c1-5(19-7(13)14,3(2-9)17-6(11)12)4(10)18-20-8(15)16/h3,9H,2H2,1H3 	 301.1220 
 C619OH 	 O=C1CCC(=O)C(O)C1 	 InChI=1S/C6H8O3/c7-4-1-2-5(8)6(9)3-4/h6,9H,1-3H2 	 128.1259 
 PECO2 	 CCC(CC)O[O] 	 InChI=1S/C5H11O2/c1-3-5(4-2)7-6/h5H,3-4H2,1-2H3 	 103.1396 
 CO24C63OOH 	 OOC(C(=O)C)C(=O)CC 	 InChI=1S/C6H10O4/c1-3-5(8)6(10-9)4(2)7/h6,9H,3H2,1-2H3 	 146.1412 
 HC3CO3H 	 OCC=CC(=O)OO 	 InChI=1S/C4H6O4/c5-3-1-2-4(6)8-7/h1-2,5,7H,3H2 	 118.0880 
 HO2C54CO3 	 [O]OC(=O)C(C)CC(C)O 	 InChI=1S/C6H11O4/c1-4(3-5(2)7)6(8)10-9/h4-5,7H,3H2,1-2H3 	 147.1491 
 TBUTCHO 	 O=CC(C)(C)C 	 InChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3 	 86.1323 
 MTBEBPAN 	 COC(C)(C)C(=O)OON(=O)=O 	 InChI=1S/C5H9NO6/c1-5(2,10-3)4(7)11-12-6(8)9/h1-3H3 	 179.1281 
 MVKOOH 	 OOCC(=O)C=C 	 InChI=1S/C4H6O3/c1-2-4(5)3-7-6/h2,6H,1,3H2 	 102.0886 
 COHCCLOOH 	 OCC(Cl)OO 	 InChI=1S/C2H5ClO3/c3-2(1-4)6-5/h2,4-5H,1H2 	 112.5123 
 MVKOOA 	 [O-][O+]=C(C)C=C 	 InChI=1S/C4H6O2/c1-3-4(2)6-5/h3H,1H2,2H3 	 86.0892 
 DMEOBPROH 	 CCC12OOC(C)(C(=O)C(=C1)C)C2O 	 InChI=1S/C10H14O4/c1-4-10-5-6(2)7(11)9(3,8(10)12)13-14-10/h5,8,12H,4H2,1-3H3 	 198.2158 
 C81O2 	 CC(O[O])C(=O)CC(O)CCC 	 InChI=1S/C8H15O4/c1-3-4-7(9)5-8(10)6(2)12-11/h6-7,9H,3-5H2,1-2H3 	 175.2023 
 CLCOCH2O 	 [O]CC(=O)Cl 	 InChI=1S/C2H2ClO2/c3-2(5)1-4/h1H2 	 93.4891 
 PXYOLO 	 CC1=CC([O])(O)C2(C)OOC1C2O 	 InChI=1S/C8H11O5/c1-4-3-8(10,11)7(2)6(9)5(4)12-13-7/h3,5-6,9-10H,1-2H3 	 187.1699 
 C1213O 	 OCCC(=O)C(=O)CC(C)(C)C([O])CCC(=O)O 	 InChI=1S/C12H19O6/c1-12(2,10(16)3-4-11(17)18)7-9(15)8(14)5-6-13/h10,13H,3-7H2,1-2H3,(H,17,18) 	 259.2757 
 M3PEAOH 	 OCCC(C)CC 	 InChI=1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3 	 102.1748 
 NOPINBCO 	 O=C1CCC2C(=O)C1C2(C)C 	 InChI=1S/C9H12O2/c1-9(2)5-3-4-6(10)7(9)8(5)11/h5,7H,3-4H2,1-2H3 	 152.1904 
 PECOH 	 CCC(O)CC 	 InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3 	 88.1482 
 EOX2EOLAO2 	 CCOC(CO)O[O] 	 InChI=1S/C4H9O4/c1-2-7-4(3-5)8-6/h4-5H,2-3H2,1H3 	 121.1119 
 CH3OCH2NO3 	 COCON(=O)=O 	 InChI=1S/C2H5NO4/c1-6-2-7-3(4)5/h2H2,1H3 	 107.0654 
 C7DDCOH 	 CC(O)(C=O)C(O)C(=O)CC 	 InChI=1S/C7H12O4/c1-3-5(9)6(10)7(2,11)4-8/h4,6,10-11H,3H2,1-2H3 	 160.1678 
 HM22C3O2 	 [O]OCC(C)(C)CO 	 InChI=1S/C5H11O3/c1-5(2,3-6)4-8-7/h6H,3-4H2,1-2H3 	 119.1390 
 C812O 	 OCC1CC([O])(C(=O)O)C1(C)C 	 InChI=1S/C8H13O4/c1-7(2)5(4-9)3-8(7,12)6(10)11/h5,9H,3-4H2,1-2H3,(H,10,11) 	 173.1864 
 C2CL3OHOOH 	 OOC(Cl)(Cl)C(O)Cl 	 InChI=1S/C2H3Cl3O3/c3-1(6)2(4,5)8-7/h1,6-7H 	 181.4024 
 PROPOLNO3 	 OCC(C)ON(=O)=O 	 InChI=1S/C3H7NO4/c1-3(2-5)8-4(6)7/h3,5H,2H2,1H3 	 121.0920 
 NPRACAOOH 	 CC(COC(=O)C)OO 	 InChI=1S/C5H10O4/c1-4(9-7)3-8-5(2)6/h4,7H,3H2,1-2H3 	 134.1305 
 BUTDBOH 	 OC(CO)C=C 	 InChI=1S/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2 	 88.1051 
 BCAOH 	 C=C1CCC(O)C(C)(O)CCC2C1CC2(C)C 	 InChI=1S/C15H26O2/c1-10-5-6-13(16)15(4,17)8-7-12-11(10)9-14(12,2)3/h11-13,16-17H,1,5-9H2,2-4H3 	 238.3657 
 BCAOO 	 O=CCCC(=C)C1CC(C)(C)C1CCC(=[O+][O-])C 	 InChI=1S/C15H24O3/c1-11(6-5-9-16)13-10-15(3,4)14(13)8-7-12(2)18-17/h9,13-14H,1,5-8,10H2,2-4H3 	 252.3493 
 C1013CO 	 COC(=O)CCC1C(=O)CC1(C)C 	 InChI=1S/C10H16O3/c1-10(2)6-8(11)7(10)4-5-9(12)13-3/h7H,4-6H2,1-3H3 	 184.2322 
 HO5C5CHO 	 CCCCC(O)C=O 	 InChI=1S/C6H12O2/c1-2-3-4-6(8)5-7/h5-6,8H,2-4H2,1H3 	 116.1583 
 CLCOCCL2O 	 ClC(=O)C([O])(Cl)Cl 	 InChI=1S/C2Cl3O2/c3-1(6)2(4,5)7 	 162.3792 
 TM123BCO3 	 Cc1c(cccc1C)C(=O)O[O] 	 InChI=1S/C9H9O3/c1-6-4-3-5-8(7(6)2)9(10)12-11/h3-5H,1-2H3 	 165.1660 
 OXYQONE 	 O=C1C=CC(=O)C(=C1C)C 	 InChI=1S/C8H8O2/c1-5-6(2)8(10)4-3-7(5)9/h3-4H,1-2H3 	 136.1479 
 BCAO2 	 [O]OC1(C)CCC2C(CC2(C)C)C(=C)CCC1O 	 InChI=1S/C15H25O3/c1-10-5-6-13(16)15(4,18-17)8-7-12-11(10)9-14(12,2)3/h11-13,16H,1,5-9H2,2-4H3 	 253.3572 
 BCLKAO 	 O=CCCC(=O)C1CC(C)(C)C1CC([O])C(=O)C 	 InChI=1S/C14H21O4/c1-9(16)13(18)7-11-10(8-14(11,2)3)12(17)5-4-6-15/h6,10-11,13H,4-5,7-8H2,1-3H3 	 253.3141 
 MMALNAPAN 	 O=CC(C)(ON(=O)=O)C(O)C(=O)OON(=O)=O 	 InChI=1S/C5H6N2O10/c1-5(2-8,16-6(11)12)3(9)4(10)15-17-7(13)14/h2-3,9H,1H3 	 254.1085 
 C144O 	 O=CCC([O])(CO)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H23O4/c1-10(17)4-5-11-12(8-13(11,2)3)14(18,9-16)6-7-15/h7,11-12,16H,4-6,8-9H2,1-3H3 	 255.3300 
 C511O2 	 O=CCC(O[O])C(=O)C 	 InChI=1S/C5H7O4/c1-4(7)5(9-8)2-3-6/h3,5H,2H2,1H3 	 131.1067 
 DNOXYOLO2 	 [O]OC1(O)C(=C(C)C2(C)OOC1(N(=O)=O)C2O)N(=O)=O 	 InChI=1S/C8H9N2O10/c1-3-4(9(13)14)8(12,18-17)7(10(15)16)5(11)6(3,2)19-20-7/h5,11-12H,1-2H3 	 293.1645 
 ISOPBO 	 CC([O])(CO)C=C 	 InChI=1S/C5H9O2/c1-3-5(2,7)4-6/h3,6H,1,4H2,2H3 	 101.1238 
 C6OTKETCO 	 O=C(OC(=O)C(=O)C)C(=O)C 	 InChI=1S/C6H6O5/c1-3(7)5(9)11-6(10)4(2)8/h1-2H3 	 158.1088 
 C522PAN 	 O=CCCC(=C)C(=O)OO[N+](=O)[O-] 	 InChI=1S/C6H7NO6/c1-5(3-2-4-8)6(9)12-13-7(10)11/h4H,1-3H2 	 189.1229 
 MALANHY 	 O=C1C=CC(=O)O1 	 InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H 	 98.0569 
 C6DICARB 	 CCC(=O)C=CC=O 	 InChI=1S/C6H8O2/c1-2-6(8)4-3-5-7/h3-5H,2H2,1H3 	 112.1265 
 C131CO3 	 [O]OC(=O)CCC(=O)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H21O5/c1-9(15)4-5-11-10(8-14(11,2)3)12(16)6-7-13(17)19-18/h10-11H,4-8H2,1-3H3 	 269.3135 
 TBUTOLO 	 [O]CC(C)(C)O 	 InChI=1S/C4H9O2/c1-4(2,6)3-5/h6H,3H2,1-2H3 	 89.1131 
 ETHENO3O 	 [O]CCON(=O)=O 	 InChI=1S/C2H4NO4/c4-1-2-7-3(5)6/h1-2H2 	 106.0575 
 MO2EOL 	 COCCO 	 InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3 	 76.0944 
 NDNMETOLO 	 CCC1=C(N(=O)=O)C2(OOC(C)(C2ON(=O)=O)C1([O])O)N(=O)=O 	 InChI=1S/C9H10N3O11/c1-3-4-5(10(15)16)8(11(17)18)6(21-12(19)20)7(2,22-23-8)9(4,13)14/h6,13H,3H2,1-2H3 	 336.1892 
 IPBFUOH 	 CC(C)C1OC(=O)C(O)C1O 	 InChI=1S/C7H12O4/c1-3(2)6-4(8)5(9)7(10)11-6/h3-6,8-9H,1-2H3 	 160.1678 
 SC4H9NO3 	 CCC(C)ON(=O)=O 	 InChI=1S/C4H9NO3/c1-3-4(2)8-5(6)7/h4H,3H2,1-2H3 	 119.1192 
 ACECOCOCH3 	 CC(=O)OC(=O)C(=O)C 	 InChI=1S/C5H6O4/c1-3(6)5(8)9-4(2)7/h1-2H3 	 130.0987 
 C9DC 	 O=C1CC(=O)C2CC1C2(C)C 	 InChI=1S/C9H12O2/c1-9(2)5-3-6(9)8(11)4-7(5)10/h5-6H,3-4H2,1-2H3 	 152.1904 
 CL2OHCO3H 	 OOC(=O)C(O)(Cl)Cl 	 InChI=1S/C2H2Cl2O4/c3-2(4,6)1(5)8-7/h6-7H 	 160.9409 
 IPBFUO2 	 [O]OC1C(=O)OC(C(C)C)C1O 	 InChI=1S/C7H11O5/c1-3(2)5-4(8)6(12-10)7(9)11-5/h3-6,8H,1-2H3 	 175.1592 
 NTMB1FUO 	 O=N(=O)OC1C(=O)OC(C)C1(C)[O] 	 InChI=1S/C6H8NO6/c1-3-6(2,9)4(5(8)12-3)13-7(10)11/h3-4H,1-2H3 	 190.1308 
 PXYFUO 	 CC1([O])C(O)COC1=O 	 InChI=1S/C5H7O4/c1-5(8)3(6)2-9-4(5)7/h3,6H,2H2,1H3 	 131.1067 
 C627OOH 	 OOCC(=O)CCC(=O)C 	 InChI=1S/C6H10O4/c1-5(7)2-3-6(8)4-10-9/h9H,2-4H2,1H3 	 146.1412 
 T124CAT1O 	 Cc1c(C)cc(C)c(O)c1[O] 	 InChI=1S/C9H11O2/c1-5-4-6(2)8(10)9(11)7(5)3/h4,10H,1-3H3 	 151.1824 
 C4COMOHCO3 	 [O]OC(=O)C(C)(O)C(=O)C(=O)C 	 InChI=1S/C6H7O6/c1-3(7)4(8)6(2,10)5(9)12-11/h10H,1-2H3 	 175.1162 
 C72NO3 	 CCC(=O)CC(ON(=O)=O)C(C)O 	 InChI=1S/C7H13NO5/c1-3-6(10)4-7(5(2)9)13-8(11)12/h5,7,9H,3-4H2,1-2H3 	 191.1818 
 NEBNZOLO2 	 CCC12OOC(C2ON(=O)=O)C(O)(O[O])C=C1 	 InChI=1S/C8H10NO8/c1-2-7-3-4-8(10,16-13)6(15-17-7)5(7)14-9(11)12/h3-6,10H,2H2,1H3 	 248.1669 
 C123CO 	 CCCCCCC(O)C(=O)CC(=O)CC 	 InChI=1S/C12H22O3/c1-3-5-6-7-8-11(14)12(15)9-10(13)4-2/h11,14H,3-9H2,1-2H3 	 214.3013 
 CH3BR 	 CBr 	 InChI=1S/CH3Br/c1-2/h1H3 	 94.9385 
 ETOC2O 	 [O]CCOCC 	 InChI=1S/C4H9O2/c1-2-6-4-3-5/h2-4H2,1H3 	 89.1131 
 VGLYOX 	 C=CC(=O)C=O 	 InChI=1S/C4H4O2/c1-2-4(6)3-5/h2-3H,1H2 	 84.0734 
 HEX2ONBNO3 	 CC(=O)CCC(C)ON(=O)=O 	 InChI=1S/C6H11NO4/c1-5(8)3-4-6(2)11-7(9)10/h6H,3-4H2,1-2H3 	 161.1558 
 CRESO 	 OC1C2OOC1(C)C=CC2([O])O 	 InChI=1S/C7H9O5/c1-6-2-3-7(9,10)5(4(6)8)11-12-6/h2-5,8-9H,1H3 	 173.1434 
 C5COCHOO2 	 [O]OCC(=O)CCC=O 	 InChI=1S/C5H7O4/c6-3-1-2-5(7)4-9-8/h3H,1-2,4H2 	 131.1067 
 HO2C43CO3H 	 OOC(=O)C(C)C(C)O 	 InChI=1S/C5H10O4/c1-3(4(2)6)5(7)9-8/h3-4,6,8H,1-2H3 	 134.1305 
 IBUTOLBO2H 	 OCC(C)(C)OO 	 InChI=1S/C4H10O3/c1-4(2,3-5)7-6/h5-6H,3H2,1-2H3 	 106.1204 
 C1H4C5PAN 	 O=CCCC(O)CC(=O)OON(=O)=O 	 InChI=1S/C6H9NO7/c8-3-1-2-5(9)4-6(10)13-14-7(11)12/h3,5,9H,1-2,4H2 	 207.1382 
 BZEMUCO 	 O=CC(O)C([O])C1OC1C=O 	 InChI=1S/C6H7O5/c7-1-3(9)5(10)6-4(2-8)11-6/h1-6,9H 	 159.1168 
 HO2C4OH 	 OCCC(C)O 	 InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3 	 90.1210 
 C42NO33OOH 	 OOC(C)C(C)ON(=O)=O 	 InChI=1S/C4H9NO5/c1-3(4(2)10-8)9-5(6)7/h3-4,8H,1-2H3 	 151.1180 
 PETLMUCO 	 CC1(OC1C=O)C(O)C([O])C(=O)CC 	 InChI=1S/C9H13O5/c1-3-5(11)7(12)8(13)9(2)6(4-10)14-9/h4,6-8,13H,3H2,1-2H3 	 201.1965 
 IEB1OOH 	 OCC(O)C(C)(OO)C=O 	 InChI=1S/C5H10O5/c1-5(3-7,10-9)4(8)2-6/h3-4,6,8-9H,2H2,1H3 	 150.1299 
 CCLOHCO3 	 [O]OC(=O)C(O)Cl 	 InChI=1S/C2H2ClO4/c3-1(4)2(5)7-6/h1,4H 	 125.4879 
 M2BU2OLNO3 	 O=N(=O)OC(C)C(C)(C)O 	 InChI=1S/C5H11NO4/c1-4(5(2,3)7)10-6(8)9/h4,7H,1-3H3 	 149.1451 
 NEBNZOLOH 	 CCC12OOC(C2ON(=O)=O)C(O)(O)C=C1 	 InChI=1S/C8H11NO7/c1-2-7-3-4-8(10,11)6(15-16-7)5(7)14-9(12)13/h3-6,10-11H,2H2,1H3 	 233.1754 
 ETOLOH 	 CC(O)c1ccccc1C 	 InChI=1S/C9H12O/c1-7-5-3-4-6-9(7)8(2)10/h3-6,8,10H,1-2H3 	 136.1910 
 MIBKBO 	 CC(C)C([O])C(=O)C 	 InChI=1S/C6H11O2/c1-4(2)6(8)5(3)7/h4,6H,1-3H3 	 115.1503 
 INAOOH 	 OCC(C)(OO)C(O)CON(=O)=O 	 InChI=1S/C5H11NO7/c1-5(3-7,13-11)4(8)2-12-6(9)10/h4,7-8,11H,2-3H2,1H3 	 197.1433 
 TM124OL 	 Cc1ccc(C)c(C)c1O 	 InChI=1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3 	 136.1910 
 NDNPXYOLO2 	 [O]OC1(O)C(=C(C)C2(OOC1(C)C2ON(=O)=O)N(=O)=O)N(=O)=O 	 InChI=1S/C8H8N3O12/c1-3-4(9(13)14)8(12,21-19)6(2)5(20-11(17)18)7(3,10(15)16)23-22-6/h5,12H,1-2H3 	 338.1620 
 H2M2C3CHO 	 O=CCC(C)(C)O 	 InChI=1S/C5H10O2/c1-5(2,7)3-4-6/h4,7H,3H2,1-2H3 	 102.1317 
 LMKANO3 	 [O-][N+](=O)OC1(C)CCC(CC1O)C(=O)C 	 InChI=1S/C9H15NO5/c1-6(11)7-3-4-9(2,8(12)5-7)15-10(13)14/h7-8,12H,3-5H2,1-2H3 	 217.2191 
 C517CO3 	 OCC(CC(=O)O[O])C(=O)C 	 InChI=1S/C6H9O5/c1-4(8)5(3-7)2-6(9)11-10/h5,7H,2-3H2,1H3 	 161.1327 
 BOXPROLBO2 	 CCCCOC(O[O])C(C)O 	 InChI=1S/C7H15O4/c1-3-4-5-10-7(11-9)6(2)8/h6-8H,3-5H2,1-2H3 	 163.1916 
 C103OH 	 CCCCC(O)C(O)CC(=O)CC 	 InChI=1S/C10H20O3/c1-3-5-6-9(12)10(13)7-8(11)4-2/h9-10,12-13H,3-7H2,1-2H3 	 188.2640 
 C114O 	 CCCCCC(=O)C([O])CC(=O)CC 	 InChI=1S/C11H19O3/c1-3-5-6-7-10(13)11(14)8-9(12)4-2/h11H,3-8H2,1-2H3 	 199.2668 
 HOCH2COCHO 	 OCC(=O)C=O 	 InChI=1S/C3H4O3/c4-1-3(6)2-5/h1,5H,2H2 	 88.0621 
 CH3COCH3 	 CC(=O)C 	 InChI=1S/C3H6O/c1-3(2)4/h1-2H3 	 58.0791 
 HC3CHO 	 OCC=CC=O 	 InChI=1S/C4H6O2/c5-3-1-2-4-6/h1-3,6H,4H2 	 86.0892 
 C6NO3CO5O2 	 [O]OC(C)CC(=O)C(C)ON(=O)=O 	 InChI=1S/C6H10NO6/c1-4(13-11)3-6(8)5(2)12-7(9)10/h4-5H,3H2,1-2H3 	 192.1467 
 COO2C4PAN 	 [O-][N+](=O)OOC(=O)CCC(=O)OC 	 InChI=1S/C5H7NO7/c1-11-4(7)2-3-5(8)12-13-6(9)10/h2-3H2,1H3 	 193.1116 
 C6NO3CO5OH 	 CC(O)CC(=O)C(C)ON(=O)=O 	 InChI=1S/C6H11NO5/c1-4(8)3-6(9)5(2)12-7(10)11/h4-5,8H,3H2,1-2H3 	 177.1552 
 C103O2 	 CCCCC(O)C(O[O])CC(=O)CC 	 InChI=1S/C10H19O4/c1-3-5-6-9(12)10(14-13)7-8(11)4-2/h9-10,12H,3-7H2,1-2H3 	 203.2555 
 PETLMUCOOH 	 CC1(OC1C=O)C(O)C(OO)C(=O)CC 	 InChI=1S/C9H14O6/c1-3-5(11)7(15-13)8(12)9(2)6(4-10)14-9/h4,6-8,12-13H,3H2,1-2H3 	 218.2039 
 HMVKBOOH 	 OCC(OO)C(=O)C 	 InChI=1S/C4H8O4/c1-3(6)4(2-5)8-7/h4-5,7H,2H2,1H3 	 120.1039 
 NBCKO 	 [O-][N+](=O)OC1CCC(=O)C2CC(C)(C)C2CCC1(C)[O] 	 InChI=1S/C14H22NO5/c1-13(2)8-9-10(13)6-7-14(3,17)12(20-15(18)19)5-4-11(9)16/h9-10,12H,4-8H2,1-3H3 	 284.3282 
 MC5DICARB 	 O=CC=C(C)C(=O)C 	 InChI=1S/C6H8O2/c1-5(3-4-7)6(2)8/h3-4H,1-2H3 	 112.1265 
 HO1C6OOH 	 OCCCC(CC)OO 	 InChI=1S/C6H14O3/c1-2-6(9-8)4-3-5-7/h6-8H,2-5H2,1H3 	 134.1736 
 TM124O2 	 [O]Oc1cc(C)cc(C)c1C 	 InChI=1S/C9H11O2/c1-6-4-7(2)8(3)9(5-6)11-10/h4-5H,1-3H3 	 151.1824 
 HO2M2C4OOH 	 OOCCC(C)(C)O 	 InChI=1S/C5H12O3/c1-5(2,6)3-4-8-7/h6-7H,3-4H2,1-2H3 	 120.1470 
 PRNO3CO3H 	 OOC(=O)C(C)ON(=O)=O 	 InChI=1S/C3H5NO6/c1-2(3(5)10-8)9-4(6)7/h2,8H,1H3 	 151.0749 
 CO235C6O 	 [O]CC(=O)CC(=O)C(=O)C 	 InChI=1S/C6H7O4/c1-4(8)6(10)2-5(9)3-7/h2-3H2,1H3 	 143.1174 
 CH3CCL2OH 	 CC(O)(Cl)Cl 	 InChI=1S/C2H4Cl2O/c1-2(3,4)5/h5H,1H3 	 114.9586 
 C127O2 	 OCCC(=C)C1(O[O])CC(C)(C)C1CC=O 	 InChI=1S/C12H19O4/c1-9(4-6-13)12(16-15)8-11(2,3)10(12)5-7-14/h7,10,13H,1,4-6,8H2,2-3H3 	 227.2769 
 NDNPETOLO 	 CCC12OOC(N(=O)=O)(C(=C(N(=O)=O)C2([O])O)C)C1ON(=O)=O 	 InChI=1S/C9H10N3O11/c1-3-7-6(21-12(19)20)8(11(17)18,23-22-7)4(2)5(10(15)16)9(7,13)14/h6,13H,3H2,1-2H3 	 336.1892 
 METHTOL 	 CCc1cccc(C)c1 	 InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3 	 120.1916 
 C1311OOH 	 O=CCCC(=C)C1(OO)CC(C)(C)C1CCO 	 InChI=1S/C13H22O4/c1-10(5-4-7-14)13(17-16)9-12(2,3)11(13)6-8-15/h7,11,15-16H,1,4-6,8-9H2,2-3H3 	 242.3114 
 C511PAN 	 O=CCC(C(=O)C)C(=O)OO[N+](=O)[O-] 	 InChI=1S/C6H7NO7/c1-4(9)5(2-3-8)6(10)13-14-7(11)12/h3,5H,2H2,1H3 	 205.1223 
 CHOC2H4OOH 	 OOCCC=O 	 InChI=1S/C3H6O3/c4-2-1-3-6-5/h2,5H,1,3H2 	 90.0779 
 PRNOCOMOOH 	 OOCC(=O)OCC(=O)C 	 InChI=1S/C5H8O5/c1-4(6)2-9-5(7)3-10-8/h8H,2-3H2,1H3 	 148.1140 
 HEPTO 	 CCCCC([O])CC 	 InChI=1S/C7H15O/c1-3-5-6-7(8)4-2/h7H,3-6H2,1-2H3 	 115.1934 
 C5DICAROOH 	 OOC(C(=O)C)C(O)C=O 	 InChI=1S/C5H8O5/c1-3(7)5(10-9)4(8)2-6/h2,4-5,8-9H,1H3 	 148.1140 
 ENNCATECO 	 CCC12OOC(C(=C(O)C2([O])O)N(=O)=O)C1ON(=O)=O 	 InChI=1S/C8H9N2O10/c1-2-7-6(18-10(16)17)4(19-20-7)3(9(14)15)5(11)8(7,12)13/h4,6,11-12H,2H2,1H3 	 293.1645 
 TBUTOLO2 	 [O]OCC(C)(C)O 	 InChI=1S/C4H9O3/c1-4(2,5)3-7-6/h5H,3H2,1-2H3 	 105.1125 
 C127OH 	 OCCC(=C)C1(O)CC(C)(C)C1CC=O 	 InChI=1S/C12H20O3/c1-9(4-6-13)12(15)8-11(2,3)10(12)5-7-14/h7,10,13,15H,1,4-6,8H2,2-3H3 	 212.2854 
 C3M3CHONO3 	 O=CCC(C)(C)ON(=O)=O 	 InChI=1S/C5H9NO4/c1-5(2,3-4-7)10-6(8)9/h4H,3H2,1-2H3 	 147.1293 
 HO2CO4C5O2 	 [O]OCC(=O)CC(C)O 	 InChI=1S/C5H9O4/c1-4(6)2-5(7)3-9-8/h4,6H,2-3H2,1H3 	 133.1226 
 C145OOH 	 OCCC(CO)(OO)C(=O)CC(C)(C)C(=O)CCC(=O)C 	 InChI=1S/C14H24O7/c1-10(17)4-5-11(18)13(2,3)8-12(19)14(9-16,21-20)6-7-15/h15-16,20H,4-9H2,1-3H3 	 304.3362 
 C918OOH 	 O=CCC(=O)C1CC(OO)C1(C)C 	 InChI=1S/C9H14O4/c1-9(2)6(5-8(9)13-12)7(11)3-4-10/h4,6,8,12H,3,5H2,1-2H3 	 186.2051 
 PXYMUCO2 	 [O]OC(C(=O)C)C(O)C1(C)OC1C=O 	 InChI=1S/C8H11O6/c1-4(10)6(14-12)7(11)8(2)5(3-9)13-8/h3,5-7,11H,1-2H3 	 203.1693 
 DIBRETO 	 BrCC([O])Br 	 InChI=1S/C2H3Br2O/c3-1-2(4)5/h2H,1H2 	 202.8526 
 ENCATECH 	 CCc1ccc(N(=O)=O)c(O)c1O 	 InChI=1S/C8H9NO4/c1-2-5-3-4-6(9(12)13)8(11)7(5)10/h3-4,10-11H,2H2,1H3 	 183.1614 
 MVKOHAO 	 OCC(=O)C(O)C[O] 	 InChI=1S/C4H7O4/c5-1-3(7)4(8)2-6/h3,6-7H,1-2H2 	 119.0960 
 ACCOETO2 	 CC(=O)OC(=O)CCO[O] 	 InChI=1S/C5H7O5/c1-4(6)10-5(7)2-3-9-8/h2-3H2,1H3 	 147.1061 
 C3ME3PAN 	 CC(C)CC(=O)OON(=O)=O 	 InChI=1S/C5H9NO5/c1-4(2)3-5(7)10-11-6(8)9/h4H,3H2,1-2H3 	 163.1287 
 BPINAOOH 	 OCC1(OO)CCC2CC1C2(C)C 	 InChI=1S/C10H18O3/c1-9(2)7-3-4-10(6-11,13-12)8(9)5-7/h7-8,11-12H,3-6H2,1-2H3 	 186.2481 
 EBZMUCNO3 	 O=CC1OC1C(O)C(ON(=O)=O)C(=O)CC 	 InChI=1S/C8H11NO7/c1-2-4(11)7(16-9(13)14)6(12)8-5(3-10)15-8/h3,5-8,12H,2H2,1H3 	 233.1754 
 T124NCTOOH 	 OOC1(O)C(=C(C)C2(OOC1(C)C2(C)O)N(=O)=O)O 	 InChI=1S/C9H13NO9/c1-4-5(11)9(13,17-16)7(3)6(2,12)8(4,10(14)15)19-18-7/h11-13,16H,1-3H3 	 279.2008 
 PBZOBPEROH 	 CCCC12OOC(C2O)C(=O)C=C1 	 InChI=1S/C9H12O4/c1-2-4-9-5-3-6(10)7(8(9)11)12-13-9/h3,5,7-8,11H,2,4H2,1H3 	 184.1892 
 MC5COOHOOH 	 O=CC(O)C(C)(OO)C(=O)C 	 InChI=1S/C6H10O5/c1-4(8)6(2,11-10)5(9)3-7/h3,5,9-10H,1-2H3 	 162.1406 
 C923CO3 	 [O]OC(=O)CC(CCC(=O)C)C(=C)C 	 InChI=1S/C10H15O4/c1-7(2)9(5-4-8(3)11)6-10(12)14-13/h9H,1,4-6H2,2-3H3 	 199.2237 
 MMALNACO3H 	 OOC(=O)C(O)C(C)(C=O)ON(=O)=O 	 InChI=1S/C5H7NO8/c1-5(2-7,14-6(10)11)3(8)4(9)13-12/h2-3,8,12H,1H3 	 209.1110 
 C727PAN 	 CC(=O)CCC(C(=O)C)C(=O)OO[N+](=O)[O-] 	 InChI=1S/C8H11NO7/c1-5(10)3-4-7(6(2)11)8(12)15-16-9(13)14/h7H,3-4H2,1-2H3 	 233.1754 
 DNIPBNZOL 	 O=N(=O)c1cc(C(C)C)c(O)c(c1)N(=O)=O 	 InChI=1S/C9H10N2O5/c1-5(2)7-3-6(10(13)14)4-8(9(7)12)11(15)16/h3-5,12H,1-2H3 	 226.1861 
 NTMB2FUO2 	 [O]OC1(C)C(=O)OC(C)C1(C)ON(=O)=O 	 InChI=1S/C7H10NO7/c1-4-6(2,14-8(10)11)7(3,15-12)5(9)13-4/h4H,1-3H3 	 220.1568 
 DETLBIPNO3 	 CCC1=CC2(CC)OOC(C)(C1ON(=O)=O)C2O 	 InChI=1S/C11H17NO6/c1-4-7-6-11(5-2)9(13)10(3,17-18-11)8(7)16-12(14)15/h6,8-9,13H,4-5H2,1-3H3 	 259.2558 
 DMMBO 	 COC([O])OC 	 InChI=1S/C3H7O3/c1-5-3(4)6-2/h3H,1-2H3 	 91.0859 
 PXYMUCOH 	 O=CC1OC1(C)C(O)C(O)C(=O)C 	 InChI=1S/C8H12O5/c1-4(10)6(11)7(12)8(2)5(3-9)13-8/h3,5-7,11-12H,1-2H3 	 188.1779 
 HEPTNO3 	 CCCCC(CC)ON(=O)=O 	 InChI=1S/C7H15NO3/c1-3-5-6-7(4-2)11-8(9)10/h7H,3-6H2,1-2H3 	 161.1989 
 C92OOH 	 CC(OO)C(=O)CC(O)CCCC 	 InChI=1S/C9H18O4/c1-3-4-5-8(10)6-9(11)7(2)13-12/h7-8,10,12H,3-6H2,1-2H3 	 190.2368 
 BOXPROOOH 	 CCCC(OO)OCC(=O)C 	 InChI=1S/C7H14O4/c1-3-4-7(11-9)10-5-6(2)8/h7,9H,3-5H2,1-2H3 	 162.1837 
 C6NO324CO 	 CCC(=O)CC(=O)CON(=O)=O 	 InChI=1S/C6H9NO5/c1-2-5(8)3-6(9)4-12-7(10)11/h2-4H2,1H3 	 175.1394 
 TM124MUCCO 	 O=CC1(C)OC1(C)C(=O)C(O)C(=O)C 	 InChI=1S/C9H12O5/c1-5(11)6(12)7(13)9(3)8(2,4-10)14-9/h4,6,12H,1-3H3 	 200.1886 
 SBUACEONE 	 CC(=O)OC(C)C(=O)C 	 InChI=1S/C6H10O3/c1-4(7)5(2)9-6(3)8/h5H,1-3H3 	 130.1418 
 DIBRET 	 BrCCBr 	 InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2 	 187.8612 
 HEX3ONDOH 	 CCCC(=O)CCO 	 InChI=1S/C6H12O2/c1-2-3-6(8)4-5-7/h7H,2-5H2,1H3 	 116.1583 
 MXYMUCO 	 O=CC1(C)OC1C(O)C([O])C(=O)C 	 InChI=1S/C8H11O5/c1-4(10)5(11)6(12)7-8(2,3-9)13-7/h3,5-7,12H,1-2H3 	 187.1699 
 NIPBFUO 	 O=N(=O)OC1C(OC(=O)C1[O])C(C)C 	 InChI=1S/C7H10NO6/c1-3(2)5-6(14-8(11)12)4(9)7(10)13-5/h3-6H,1-2H3 	 204.1574 
 C1310O2 	 OCCC(=C)C(=O)CC(C)(C)C(O[O])CCC(=O)O 	 InChI=1S/C13H21O6/c1-9(6-7-14)10(15)8-13(2,3)11(19-18)4-5-12(16)17/h11,14H,1,4-8H2,2-3H3,(H,16,17) 	 273.3022 
 C928CO3H 	 OOC(=O)CC(C)(C)C(=O)CCC(=O)C 	 InChI=1S/C10H16O5/c1-7(11)4-5-8(12)10(2,3)6-9(13)15-14/h14H,4-6H2,1-3H3 	 216.2310 
 CH3S 	 C[S] 	 InChI=1S/CH3S/c1-2/h1H3 	 47.0995 
 ACBUONBOOH 	 OOC(OC(=O)C)C(=O)CC 	 InChI=1S/C6H10O5/c1-3-5(8)6(11-9)10-4(2)7/h6,9H,3H2,1-2H3 	 162.1406 
 C828PAN 	 [O-][N+](=O)OOC(=O)C(C)(C)C(=O)C(=O)CC(=O)C 	 InChI=1S/C9H11NO8/c1-5(11)4-6(12)7(13)9(2,3)8(14)17-18-10(15)16/h4H2,1-3H3 	 261.1855 
 CH3O 	 C[O] 	 InChI=1S/CH3O/c1-2/h1H3 	 31.0339 
 C4ME2NO3O2 	 [O]OC(C)(C)C(C)(C)ON(=O)=O 	 InChI=1S/C6H12NO5/c1-5(2,11-7(8)9)6(3,4)12-10/h1-4H3 	 178.1632 
 C830CO 	 O=CCC1C(=O)CC1(C)C 	 InChI=1S/C8H12O2/c1-8(2)5-7(10)6(8)3-4-9/h4,6H,3,5H2,1-2H3 	 140.1797 
 ME2BUT1ENE 	 CCC(=C)C 	 InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3 	 70.1329 
 CO23C4CO3H 	 OOC(=O)CC(=O)C(=O)C 	 InChI=1S/C5H6O5/c1-3(6)4(7)2-5(8)10-9/h9H,2H2,1H3 	 146.0981 
 PCATEC1O 	 CCCc1cccc(O)c1[O] 	 InChI=1S/C9H11O2/c1-2-4-7-5-3-6-8(10)9(7)11/h3,5-6,10H,2,4H2,1H3 	 151.1824 
 HEX3ONDO2 	 CCCC(=O)CCO[O] 	 InChI=1S/C6H11O3/c1-2-3-6(7)4-5-9-8/h2-5H2,1H3 	 131.1497 
 MACRNOO 	     [O-][O+]=CC(C)(CO)ON(=O)=O 	 InChI=1S/C4H7NO6/c1-4(2-6,3-10-9)11-5(7)8/h3,6H,2H2,1H3 	 165.1015 
 C5NO3OAOOH 	 OOC(C)CC(=O)CON(=O)=O 	 InChI=1S/C5H9NO6/c1-4(12-10)2-5(7)3-11-6(8)9/h4,10H,2-3H2,1H3 	 179.1281 
 C4M3NO31O2 	 [O]OC(CON(=O)=O)C(C)C 	 InChI=1S/C5H10NO5/c1-4(2)5(11-9)3-10-6(7)8/h4-5H,3H2,1-2H3 	 164.1366 
 C734OH 	 OCC(CC(O)C(=O)O)C(=O)C 	 InChI=1S/C7H12O5/c1-4(9)5(3-8)2-6(10)7(11)12/h5-6,8,10H,2-3H2,1H3,(H,11,12) 	 176.1672 
 CH2BROH 	 OCBr 	 InChI=1S/CH3BrO/c2-1-3/h3H,1H2 	 110.9379 
 OCTO 	 CCCCCC([O])CC 	 InChI=1S/C8H17O/c1-3-5-6-7-8(9)4-2/h8H,3-7H2,1-2H3 	 129.2200 
 C7M15CO2O2 	 [O]OC(C=O)C=CC(=O)C(C)C 	 InChI=1S/C8H11O4/c1-6(2)8(10)4-3-7(5-9)12-11/h3-7H,1-2H3 	 171.1705 
 BOXMOOH 	 CCCCOCOO 	 InChI=1S/C5H12O3/c1-2-3-4-7-5-8-6/h6H,2-5H2,1H3 	 120.1470 
 HMVKNO3 	 OCC(=O)C(CO)ON(=O)=O 	 InChI=1S/C4H7NO6/c6-1-3(8)4(2-7)11-5(9)10/h4,6-7H,1-2H2 	 165.1015 
 MVKOHAOH 	 OCC(=O)C(O)CO 	 InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h3,5-7H,1-2H2 	 120.1039 
 PHGLYOX 	 O=CC(=O)c1ccccc1 	 InChI=1S/C8H6O2/c9-6-8(10)7-4-2-1-3-5-7/h1-6H 	 134.1320 
 ACETETCHO 	 O=CCOC(=O)C 	 InChI=1S/C4H6O3/c1-4(6)7-3-2-5/h2H,3H2,1H3 	 102.0886 
 PHENOH 	 OC1C2OOC1C(O)(O)C=C2 	 InChI=1S/C6H8O5/c7-4-3-1-2-6(8,9)5(4)11-10-3/h1-5,7-9H 	 160.1247 
 PHENOL 	 Oc1ccccc1 	 InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H 	 94.1112 
 MXY1O2 	 [O]Oc1ccc(C)cc1C 	 InChI=1S/C8H9O2/c1-6-3-4-8(10-9)7(2)5-6/h3-5H,1-2H3 	 137.1559 
 NEBNZ1OOH 	 OOc1c(CC)cccc1N(=O)=O 	 InChI=1S/C8H9NO4/c1-2-6-4-3-5-7(9(10)11)8(6)13-12/h3-5,12H,2H2,1H3 	 183.1614 
 MGLYOO 	 [O-][O+]=C(C)C=O 	 InChI=1S/C3H4O3/c1-3(2-4)6-5/h2H,1H3 	 88.0621 
 PHENO2 	 [O]OC1(O)C=CC2OOC1C2O 	 InChI=1S/C6H7O6/c7-4-3-1-2-6(8,12-9)5(4)11-10-3/h1-5,7-8H 	 175.1162 
 INB1NACO2H 	 OCC(C)(ON(=O)=O)C(ON(=O)=O)C(=O)O 	 InChI=1S/C5H8N2O9/c1-5(2-8,16-7(13)14)3(4(9)10)15-6(11)12/h3,8H,2H2,1H3,(H,9,10) 	 240.1250 
 C141CO 	 O=CCC(=C)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H22O2/c1-10(7-8-15)12-9-14(3,4)13(12)6-5-11(2)16/h8,12-13H,1,5-7,9H2,2-4H3 	 222.3233 
 NPRACAOH 	 CC(O)COC(=O)C 	 InChI=1S/C5H10O3/c1-4(6)3-8-5(2)7/h4,6H,3H2,1-2H3 	 118.1311 
 MGLYOX 	 O=CC(=O)C 	 InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3 	 72.0627 
 CL12PRCHO 	 ClC(CCl)C=O 	 InChI=1S/C3H4Cl2O/c4-1-3(5)2-6/h2-3H,1H2 	 126.9693 
 MVKOHAO2 	 [O]OCC(O)C(=O)CO 	 InChI=1S/C4H7O5/c5-1-3(6)4(7)2-9-8/h4-5,7H,1-2H2 	 135.0954 
 C7M15CO2OH 	 O=CC(O)C=CC(=O)C(C)C 	 InChI=1S/C8H12O3/c1-6(2)8(11)4-3-7(10)5-9/h3-7,10H,1-2H3 	 156.1791 
 CH2BRO2 	 [O]OCBr 	 InChI=1S/CH2BrO2/c2-1-4-3/h1H2 	 125.9294 
 C734O2 	 OCC(CC(O[O])C(=O)O)C(=O)C 	 InChI=1S/C7H11O6/c1-4(9)5(3-8)2-6(13-12)7(10)11/h5-6,8H,2-3H2,1H3,(H,10,11) 	 191.1586 
 ISOPDO 	 CC(=C)C([O])CO 	 InChI=1S/C5H9O2/c1-4(2)5(7)3-6/h5-6H,1,3H2,2H3 	 101.1238 
 PXYQOOH 	 OOC1(C)C(=O)C=C(C)C(=O)C1O 	 InChI=1S/C8H10O5/c1-4-3-5(9)8(2,13-12)7(11)6(4)10/h3,7,11-12H,1-2H3 	 186.1620 
 C810O 	 O=CCC(CC=O)C(C)(C)[O] 	 InChI=1S/C8H13O3/c1-8(2,11)7(3-5-9)4-6-10/h5-7H,3-4H2,1-2H3 	 157.1870 
 C118OH 	 OCCC(=O)C(=O)CC(C)(C)C(O)CC=O 	 InChI=1S/C11H18O5/c1-11(2,10(16)4-6-13)7-9(15)8(14)3-5-12/h6,10,12,16H,3-5,7H2,1-2H3 	 230.2576 
 C626PAN 	 O=CCC(CC(=O)OO[N+](=O)[O-])C(=O)C 	 InChI=1S/C7H9NO7/c1-5(10)6(2-3-9)4-7(11)14-15-8(12)13/h3,6H,2,4H2,1H3 	 219.1489 
 EBZOBPEROH 	 CCC12OOC(C(=O)C=C1)C2O 	 InChI=1S/C8H10O4/c1-2-8-4-3-5(9)6(7(8)10)11-12-8/h3-4,6-7,10H,2H2,1H3 	 170.1626 
 IEACO3 	 CC(O)(C1CO1)C(=O)O[O] 	 InChI=1S/C5H7O5/c1-5(7,3-2-9-3)4(6)10-8/h3,7H,2H2,1H3 	 147.1061 
 IPBZOLOOH 	 OOC1(O)C=CC2(OOC1C2O)C(C)C 	 InChI=1S/C9H14O6/c1-5(2)8-3-4-9(11,14-12)7(6(8)10)13-15-8/h3-7,10-12H,1-2H3 	 218.2039 
 C6M5CO2OH 	 O=CC(C)(O)C=CC(=O)C 	 InChI=1S/C7H10O3/c1-6(9)3-4-7(2,10)5-8/h3-5,10H,1-2H3 	 142.1525 
 C2CL3OHAO 	 OC(Cl)C([O])(Cl)Cl 	 InChI=1S/C2H2Cl3O2/c3-1(6)2(4,5)7/h1,6H 	 164.3951 
 C128O 	 OCCC(=C)C(=O)CC(C)(C)C([O])CC=O 	 InChI=1S/C12H19O4/c1-9(4-6-13)10(15)8-12(2,3)11(16)5-7-14/h7,11,13H,1,4-6,8H2,2-3H3 	 227.2769 
 C823NO3 	 OC(=O)CCC(CO[N+](=O)[O-])C(=C)C 	 InChI=1S/C8H13NO5/c1-6(2)7(3-4-8(10)11)5-14-9(12)13/h7H,1,3-5H2,2H3,(H,10,11) 	 203.1925 
 C1213CO 	 OCCC(=O)C(=O)CC(C)(C)C(=O)CCC(=O)O 	 InChI=1S/C12H18O6/c1-12(2,10(16)3-4-11(17)18)7-9(15)8(14)5-6-13/h13H,3-7H2,1-2H3,(H,17,18) 	 258.2677 
 NT123L1O2 	 [O]Oc1c(C)c(C)c(C)cc1N(=O)=O 	 InChI=1S/C9H10NO4/c1-5-4-8(10(11)12)9(14-13)7(3)6(5)2/h4H,1-3H3 	 196.1800 
 H3M3C4CO3H 	 CC(O)(CC(=O)OO)CC 	 InChI=1S/C6H12O4/c1-3-6(2,8)4-5(7)10-9/h8-9H,3-4H2,1-2H3 	 148.1571 
 NTM124LOOH 	 OOC1(O)C(=C(C)C2OOC1(C)C2ON(=O)=O)C 	 InChI=1S/C9H13NO8/c1-4-5(2)9(11,17-14)8(3)7(15-10(12)13)6(4)16-18-8/h6-7,11,14H,1-3H3 	 263.2014 
 C615O2 	 [O]OC(C=O)C(C)(C)C=O 	 InChI=1S/C6H9O4/c1-6(2,4-8)5(3-7)10-9/h3-5H,1-2H3 	 145.1333 
 C65OH4NO3 	 CCCC(ON(=O)=O)C(C)O 	 InChI=1S/C6H13NO4/c1-3-4-6(5(2)8)11-7(9)10/h5-6,8H,3-4H2,1-2H3 	 163.1717 
 C6CO2OHOOH 	 OOC(C)(C=O)C(O)C(=O)C 	 InChI=1S/C6H10O5/c1-4(8)5(9)6(2,3-7)11-10/h3,5,9-10H,1-2H3 	 162.1406 
 OXYQCO 	 O=C1C(O)C(=O)C(=O)C(=C1C)C 	 InChI=1S/C8H8O4/c1-3-4(2)6(10)8(12)7(11)5(3)9/h7,11H,1-2H3 	 168.1467 
 HO13C5NO3 	 OCCC(O)C(C)ON(=O)=O 	 InChI=1S/C5H11NO5/c1-4(11-6(9)10)5(8)2-3-7/h4-5,7-8H,2-3H2,1H3 	 165.1445 
 C6M5CO2O2 	 [O]OC(C)(C=O)C=CC(=O)C 	 InChI=1S/C7H9O4/c1-6(9)3-4-7(2,5-8)11-10/h3-5H,1-2H3 	 157.1440 
 DIETETNO3 	 CCOC(C)ON(=O)=O 	 InChI=1S/C4H9NO4/c1-3-8-4(2)9-5(6)7/h4H,3H2,1-2H3 	 135.1186 
 NC4CO3H 	 OOC(=O)C=C(C)CON(=O)=O 	 InChI=1S/C5H7NO6/c1-4(2-5(7)12-10)3-11-6(8)9/h2,10H,3H2,1H3 	 177.1122 
 HO14MC5 	 OCC(C)CC(C)O 	 InChI=1S/C6H14O2/c1-5(4-7)3-6(2)8/h5-8H,3-4H2,1-2H3 	 118.1742 
 C8BCCO 	 O=C1CC2CC1C2(C)C 	 InChI=1S/C8H12O/c1-8(2)5-3-6(8)7(9)4-5/h5-6H,3-4H2,1-2H3 	 124.1803 
 C1311NO3 	 O=CCCC(=C)C1(O[N+](=O)[O-])CC(C)(C)C1CCO 	 InChI=1S/C13H21NO5/c1-10(5-4-7-15)13(19-14(17)18)9-12(2,3)11(13)6-8-16/h7,11,16H,1,4-6,8-9H2,2-3H3 	 271.3095 
 C133OH 	 OCCC(=O)C(=O)CC(C)(C)C(O)CCC(=O)C 	 InChI=1S/C13H22O5/c1-9(15)4-5-12(18)13(2,3)8-11(17)10(16)6-7-14/h12,14,18H,4-8H2,1-3H3 	 258.3108 
 C118O2 	 OCCC(=O)C(=O)CC(C)(C)C(O[O])CC=O 	 InChI=1S/C11H17O6/c1-11(2,10(17-16)4-6-13)7-9(15)8(14)3-5-12/h6,10,12H,3-5,7H2,1-2H3 	 245.2491 
 C53O2 	 [O]OCC(=O)C(C)CO 	 InChI=1S/C5H9O4/c1-4(2-6)5(7)3-9-8/h4,6H,2-3H2,1H3 	 133.1226 
 INB1CO 	 OCC(=O)C(C)(CO)ON(=O)=O 	 InChI=1S/C5H9NO6/c1-5(3-8,4(9)2-7)12-6(10)11/h7-8H,2-3H2,1H3 	 179.1281 
 C137PAN 	 OC(=O)CCC1C(CC1(C)C)C(=C)CCC(=O)OO[N+](=O)[O-] 	 InChI=1S/C14H21NO7/c1-9(4-7-13(18)21-22-15(19)20)10-8-14(2,3)11(10)5-6-12(16)17/h10-11H,1,4-8H2,2-3H3,(H,16,17) 	 315.3190 
 GAOOB 	 [O-][O+]=CCO 	 InChI=1S/C2H4O3/c3-1-2-5-4/h2-3H,1H2 	 76.0514 
 GAOOA 	 [O-][O+]=CCO 	 InChI=1S/C2H4O3/c3-1-2-5-4/h2-3H,1H2 	 76.0514 
 CHOOMCO3 	 [O]OC(=O)COC=O 	 InChI=1S/C3H3O5/c4-2-7-1-3(5)8-6/h2H,1H2 	 119.0529 
 HO1CO3C5 	 OCCC(=O)CC 	 InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h6H,2-4H2,1H3 	 102.1317 
 C53NO32O 	 CCC(ON(=O)=O)C(C)[O] 	 InChI=1S/C5H10NO4/c1-3-5(4(2)7)10-6(8)9/h4-5H,3H2,1-2H3 	 148.1372 
 C923OH 	 OCC(CCC(=O)C)C(=C)C 	 InChI=1S/C9H16O2/c1-7(2)9(6-10)5-4-8(3)11/h9-10H,1,4-6H2,2-3H3 	 156.2221 
 CO24C63O 	 CCC(=O)C([O])C(=O)C 	 InChI=1S/C6H9O3/c1-3-5(8)6(9)4(2)7/h6H,3H2,1-2H3 	 129.1339 
 CL12CO3H 	 OOC(=O)C(Cl)CCl 	 InChI=1S/C3H4Cl2O3/c4-1-2(5)3(6)8-7/h2,7H,1H2 	 158.9681 
 EPXMKTPAN 	 O=N(=O)OOC(=O)C1(C)OC1C(=O)C 	 InChI=1S/C6H7NO7/c1-3(8)4-6(2,12-4)5(9)13-14-7(10)11/h4H,1-2H3 	 205.1223 
 CLCOCH2OOH 	 OOCC(=O)Cl 	 InChI=1S/C2H3ClO3/c3-2(4)1-6-5/h5H,1H2 	 110.4964 
 MALDIALOOH 	 OOC(C=O)C(O)C=O 	 InChI=1S/C4H6O5/c5-1-3(7)4(2-6)9-8/h1-4,7-8H 	 134.0874 
 C923O2 	 [O]OCC(CCC(=O)C)C(=C)C 	 InChI=1S/C9H15O3/c1-7(2)9(6-12-11)5-4-8(3)10/h9H,1,4-6H2,2-3H3 	 171.2136 
 C6CO34O2 	 CC(O[O])C(=O)C(=O)CC 	 InChI=1S/C6H9O4/c1-3-5(7)6(8)4(2)10-9/h4H,3H2,1-2H3 	 145.1333 
 C146O 	 O=CCC([O])C(=O)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H21O4/c1-9(16)4-5-11-10(8-14(11,2)3)13(18)12(17)6-7-15/h7,10-12H,4-6,8H2,1-3H3 	 253.3141 
 BOX2EOHAO 	 CCCC([O])OCCO 	 InChI=1S/C6H13O3/c1-2-3-6(8)9-5-4-7/h6-7H,2-5H2,1H3 	 133.1656 
 DMEBMUCO 	 CC([O])(C(O)C(=O)CC)C1OC1(C)C=O 	 InChI=1S/C10H15O5/c1-4-6(12)7(13)10(3,14)8-9(2,5-11)15-8/h5,7-8,13H,4H2,1-3H3 	 215.2231 
 C7CODBPAN 	 CCC(=O)C=C(CC)C(=O)OON(=O)=O 	 InChI=1S/C8H11NO6/c1-3-6(5-7(10)4-2)8(11)14-15-9(12)13/h5H,3-4H2,1-2H3 	 217.1760 
 PXNNCATCO 	 O=N(=O)OC1C2(OOC1(C)C([O])(O)C(=C2C)O)N(=O)=O 	 InChI=1S/C8H9N2O10/c1-3-4(11)8(12,13)6(2)5(18-10(16)17)7(3,9(14)15)20-19-6/h5,11-12H,1-2H3 	 293.1645 
 C927O 	 OCCC(=C)C(=O)CC(C)(C)[O] 	 InChI=1S/C9H15O3/c1-7(4-5-10)8(11)6-9(2,3)12/h10H,1,4-6H2,2-3H3 	 171.2136 
 C3EDIALOOH 	 CCC(OO)(C=O)C=O 	 InChI=1S/C5H8O4/c1-2-5(3-6,4-7)9-8/h3-4,8H,2H2,1H3 	 132.1146 
 MACROHOOH 	 CC(O)(COO)C=O 	 InChI=1S/C4H8O4/c1-4(6,2-5)3-8-7/h2,6-7H,3H2,1H3 	 120.1039 
 C88CO 	 O=C1CCC(=O)C(C)(C)C1=O 	 InChI=1S/C8H10O3/c1-8(2)6(10)4-3-5(9)7(8)11/h3-4H2,1-2H3 	 154.1632 
 TC4H9NO3 	 O=N(=O)OC(C)(C)C 	 InChI=1S/C4H9NO3/c1-4(2,3)8-5(6)7/h1-3H3 	 119.1192 
 TM135O 	 Cc1cc(C)c([O])c(C)c1 	 InChI=1S/C9H11O/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3 	 135.1830 
 C816OOH 	 OOC(CCC(=O)C)C(=C)C 	 InChI=1S/C8H14O3/c1-6(2)8(11-10)5-4-7(3)9/h8,10H,1,4-5H2,2-3H3 	 158.1950 
 TM135B 	 Cc1cc(C)cc(C)c1 	 InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3 	 120.1916 
 M2HEXAO2 	 [O]OC(C)CCC(C)C 	 InChI=1S/C7H15O2/c1-6(2)4-5-7(3)9-8/h6-7H,4-5H2,1-3H3 	 131.1928 
 MTCATEC1O2 	 CCc1cc(C)cc(O)c1O[O] 	 InChI=1S/C9H11O3/c1-3-7-4-6(2)5-8(10)9(7)12-11/h4-5,10H,3H2,1-2H3 	 167.1818 
 DETLBIPRO2 	 [O]OC1C(=CC2(CC)OOC1(C)C2O)CC 	 InChI=1S/C11H17O5/c1-4-7-6-11(5-2)9(12)10(3,15-16-11)8(7)14-13/h6,8-9,12H,4-5H2,1-3H3 	 229.2497 
 MXYCATECH 	 Cc1cc(C)c(O)c(O)c1 	 InChI=1S/C8H10O2/c1-5-3-6(2)8(10)7(9)4-5/h3-4,9-10H,1-2H3 	 138.1638 
 INB1HPCO3 	 [O]OC(=O)C(OO)C(C)(CO)ON(=O)=O 	 InChI=1S/C5H8NO9/c1-5(2-7,15-6(9)10)3(13-11)4(8)14-12/h3,7,11H,2H2,1H3 	 226.1183 
 DDECNO3 	 CCCCCCCCCC(CC)ON(=O)=O 	 InChI=1S/C12H25NO3/c1-3-5-6-7-8-9-10-11-12(4-2)16-13(14)15/h12H,3-11H2,1-2H3 	 231.3318 
 MIBKHO4OOH 	 OOCC(=O)CC(C)(C)O 	 InChI=1S/C6H12O4/c1-6(2,8)3-5(7)4-10-9/h8-9H,3-4H2,1-2H3 	 148.1571 
 MET1OHNO2 	 CCc1cc(C)cc(N(=O)=O)c1O 	 InChI=1S/C9H11NO3/c1-3-7-4-6(2)5-8(9(7)11)10(12)13/h4-5,11H,3H2,1-2H3 	 181.1885 
 M2HEXAOH 	 CC(C)CCC(C)O 	 InChI=1S/C7H16O/c1-6(2)4-5-7(3)8/h6-8H,4-5H2,1-3H3 	 116.2013 
 NISOPOOH 	 OOCC=C(C)CON(=O)=O 	 InChI=1S/C5H9NO5/c1-5(2-3-11-9)4-10-6(7)8/h2,9H,3-4H2,1H3 	 163.1287 
 C54OOH 	 OCCC(C)(O)COO 	 InChI=1S/C5H12O4/c1-5(7,2-3-6)4-9-8/h6-8H,2-4H2,1H3 	 136.1464 
 HIEB2OOH 	 OOC(C=O)C(O)(CO)CO 	 InChI=1S/C5H10O6/c6-1-4(11-10)5(9,2-7)3-8/h1,4,7-10H,2-3H2 	 166.1293 
 C87CO3 	 [O]OC(=O)CC(=O)C(C=O)C(C)(C)C=O 	 InChI=1S/C9H11O6/c1-9(2,5-11)6(4-10)7(12)3-8(13)15-14/h4-6H,3H2,1-2H3 	 215.1800 
 C815CO2O 	 CCCC(=O)C=CC([O])C=O 	 InChI=1S/C8H11O3/c1-2-3-7(10)4-5-8(11)6-9/h4-6,8H,2-3H2,1H3 	 155.1711 
 HO3C3CO3 	 CCC(O)C(=O)O[O] 	 InChI=1S/C4H7O4/c1-2-3(5)4(6)8-7/h3,5H,2H2,1H3 	 119.0960 
 LIMCOOH 	 OCC(C)(OO)C1CCC(=CC1)C 	 InChI=1S/C10H18O3/c1-8-3-5-9(6-4-8)10(2,7-11)13-12/h3,9,11-12H,4-7H2,1-2H3 	 186.2481 
 CO2HO3C6 	 CCCC(O)C(=O)C 	 InChI=1S/C6H12O2/c1-3-4-6(8)5(2)7/h6,8H,3-4H2,1-2H3 	 116.1583 
 C3MNO3CO2H 	 O=N(=O)OC(C(C)C)C(=O)O 	 InChI=1S/C5H9NO5/c1-3(2)4(5(7)8)11-6(9)10/h3-4H,1-2H3,(H,7,8) 	 163.1287 
 C5MCO2OHO 	 O=CC(C)([O])C(O)C(=O)C 	 InChI=1S/C6H9O4/c1-4(8)5(9)6(2,10)3-7/h3,5,9H,1-2H3 	 145.1333 
 C7DDCCO3 	 CCC(=O)C=C(C)C(=O)O[O] 	 InChI=1S/C7H9O4/c1-3-6(8)4-5(2)7(9)11-10/h4H,3H2,1-2H3 	 157.1440 
 C7DDCCO2 	 CCC(=O)C=C(C)C(=O)[O] 	 InChI=1S/C7H9O3/c1-3-6(8)4-5(2)7(9)10/h4H,3H2,1-2H3 	 141.1446 
 HM33C3OOH 	 OCCC(C)(C)OO 	 InChI=1S/C5H12O3/c1-5(2,8-7)3-4-6/h6-7H,3-4H2,1-2H3 	 120.1470 
 NTLFUO 	 O=N(=O)OC1C(C)OC(=O)C1[O] 	 InChI=1S/C5H6NO6/c1-2-4(12-6(9)10)3(7)5(8)11-2/h2-4H,1H3 	 176.1042 
 CCL3CH2O 	 [O]CC(Cl)(Cl)Cl 	 InChI=1S/C2H2Cl3O/c3-2(4,5)1-6/h1H2 	 148.3957 
 C1210O 	 O=CCCC(=O)C1CC(C)(C)C1CC[O] 	 InChI=1S/C12H19O3/c1-12(2)8-9(10(12)5-7-14)11(15)4-3-6-13/h6,9-10H,3-5,7-8H2,1-2H3 	 211.2775 
 CCLNO3COH 	 OCC(Cl)ON(=O)=O 	 InChI=1S/C2H4ClNO4/c3-2(1-5)8-4(6)7/h2,5H,1H2 	 141.5105 
 HEX2ONAO 	 CCC([O])CC(=O)C 	 InChI=1S/C6H11O2/c1-3-6(8)4-5(2)7/h6H,3-4H2,1-2H3 	 115.1503 
 DM124O2 	 [O]Oc1ccc(C)c(C)c1 	 InChI=1S/C8H9O2/c1-6-3-4-8(10-9)5-7(6)2/h3-5H,1-2H3 	 137.1559 
 C5CO234 	 CC(=O)C(=O)C(=O)C 	 InChI=1S/C5H6O3/c1-3(6)5(8)4(2)7/h1-2H3 	 114.0993 
 COCL2 	 ClC(=O)Cl 	 InChI=1S/CCl2O/c2-1(3)4 	 98.9161 
 HOCH2CH2O 	 OCC[O] 	 InChI=1S/C2H5O2/c3-1-2-4/h3H,1-2H2 	 61.0599 
 NIPBZOLOOH 	 OOC1(O)C=CC2(OOC1C2ON(=O)=O)C(C)C 	 InChI=1S/C9H13NO8/c1-5(2)8-3-4-9(11,17-14)7(16-18-8)6(8)15-10(12)13/h3-7,11,14H,1-2H3 	 263.2014 
 C42AOH 	 O=CC(O)CON(=O)=O 	 InChI=1S/C3H5NO5/c5-1-3(6)2-9-4(7)8/h1,3,6H,2H2 	 135.0755 
 CH3CH2CL 	 CCCl 	 InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3 	 64.5141 
 HOC3H6OH 	 OCCCO 	 InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2 	 76.0944 
 EPXC4DIAL 	 O=CC1OC1C=O 	 InChI=1S/C4H4O3/c5-1-3-4(2-6)7-3/h1-4H 	 100.0728 
 NOPINDOOH 	 OOC1CC2CC(C1=O)C2(C)C 	 InChI=1S/C9H14O3/c1-9(2)5-3-6(9)8(10)7(4-5)12-11/h5-7,11H,3-4H2,1-2H3 	 170.2057 
 PXYBPER2OH 	 OC1C2OOC1(C)C=CC2(C)O 	 InChI=1S/C8H12O4/c1-7(10)3-4-8(2)5(9)6(7)11-12-8/h3-6,9-10H,1-2H3 	 172.1785 
 CHCL3OH 	 ClC(Cl)C(O)Cl 	 InChI=1S/C2H3Cl3O/c3-1(4)2(5)6/h1-2,6H 	 149.4036 
 C5TRONCO3H 	 OOC(=O)CC(=O)CC(=O)C=O 	 InChI=1S/C6H6O6/c7-3-5(9)1-4(8)2-6(10)12-11/h3,11H,1-2H2 	 174.1082 
 BPINCOH 	 OCC1=CCC(CC1)C(C)(C)O 	 InChI=1S/C10H18O2/c1-10(2,12)9-5-3-8(7-11)4-6-9/h3,9,11-12H,4-7H2,1-2H3 	 170.2487 
 OTCATECOOA 	 [O-][O+]=C(O)C(=C(C)/C=C/C(=O)O)CC 	 InChI=1S/C9H12O5/c1-3-7(9(12)14-13)6(2)4-5-8(10)11/h4-5,12H,3H2,1-2H3,(H,10,11)/b5-4+,7-6? 	 200.1886 
 MXYBPEROOH 	 OOC1C=CC2(C)OOC1(C)C2O 	 InChI=1S/C8H12O5/c1-7-4-3-5(11-10)8(2,6(7)9)13-12-7/h3-6,9-10H,1-2H3 	 188.1779 
 MTBEAOH 	 OCOC(C)(C)C 	 InChI=1S/C5H12O2/c1-5(2,3)7-4-6/h6H,4H2,1-3H3 	 104.1476 
 ACCOMECO3H 	 CC(=O)OC(=O)CC(=O)OO 	 InChI=1S/C5H6O6/c1-3(6)10-4(7)2-5(8)11-9/h9H,2H2,1H3 	 162.0975 
 HO2MC5O2 	 [O]OCC(C)CC(C)O 	 InChI=1S/C6H13O3/c1-5(4-9-8)3-6(2)7/h5-7H,3-4H2,1-2H3 	 133.1656 
 NC71O 	 O=C1CC([O])C(C)(ON(=O)=O)C(=O)C1 	 InChI=1S/C7H8NO6/c1-7(14-8(12)13)5(10)2-4(9)3-6(7)11/h5H,2-3H2,1H3 	 202.1415 
 NMXYOLO2 	 [O]OC1(O)C=CC2(C)OOC1(C)C2ON(=O)=O 	 InChI=1S/C8H10NO8/c1-6-3-4-8(10,15-13)7(2,17-16-6)5(6)14-9(11)12/h3-5,10H,1-2H3 	 248.1669 
 C729CO3 	 O=CCC(CC(=O)O[O])C(=C)C 	 InChI=1S/C8H11O4/c1-6(2)7(3-4-9)5-8(10)12-11/h4,7H,1,3,5H2,2H3 	 171.1705 
 M2BKAOOH 	 OOC(C)C(C)C(=O)C 	 InChI=1S/C6H12O3/c1-4(5(2)7)6(3)9-8/h4,6,8H,1-3H3 	 132.1577 
 PGLOOA 	 [O-][O+]=CC(=O)CCC 	 InChI=1S/C5H8O3/c1-2-3-5(6)4-8-7/h4H,2-3H2,1H3 	 116.1152 
 TM123MUCCO 	 OC(C(=O)C)C(=O)C1OC1(C)C(=O)C 	 InChI=1S/C9H12O5/c1-4(10)6(12)7(13)8-9(3,14-8)5(2)11/h6,8,12H,1-3H3 	 200.1886 
 NMXYOLOH 	 O=N(=O)OC1C2(C)C=CC(O)(O)C1(C)OO2 	 InChI=1S/C8H11NO7/c1-6-3-4-8(10,11)7(2,16-15-6)5(6)14-9(12)13/h3-5,10-11H,1-2H3 	 233.1754 
 MXYLCO3H 	 OOC(=O)c1cccc(C)c1 	 InChI=1S/C8H8O3/c1-6-3-2-4-7(5-6)8(9)11-10/h2-5,10H,1H3 	 152.1473 
 CH2CLCOCH3 	 CC(=O)CCl 	 InChI=1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3 	 92.5242 
 CO2C4DIAL 	 O=CC(=O)C(=O)C=O 	 InChI=1S/C4H2O4/c5-1-3(7)4(8)2-6/h1-2H 	 114.0563 
 NCRES1O2 	 [O]Oc1c(C)cccc1N(=O)=O 	 InChI=1S/C7H6NO4/c1-5-3-2-4-6(8(9)10)7(5)12-11/h2-4H,1H3 	 168.1268 
 C812OOH 	 OCC1CC(OO)(C(=O)O)C1(C)C 	 InChI=1S/C8H14O5/c1-7(2)5(4-9)3-8(7,13-12)6(10)11/h5,9,12H,3-4H2,1-2H3,(H,10,11) 	 190.1938 
 C5CO23O 	 CCC(=O)C(=O)C[O] 	 InChI=1S/C5H7O3/c1-2-4(7)5(8)3-6/h2-3H2,1H3 	 115.1073 
 UDECO 	 CCCCCCCCC([O])CC 	 InChI=1S/C11H23O/c1-3-5-6-7-8-9-10-11(12)4-2/h11H,3-10H2,1-2H3 	 171.2997 
 BPINCO2 	 OCC1=CCC(CC1)C(C)(C)O[O] 	 InChI=1S/C10H17O3/c1-10(2,13-12)9-5-3-8(7-11)4-6-9/h3,9,11H,4-7H2,1-2H3 	 185.2402 
 C726CO5O 	 CC(=O)C=CC([O])C(=O)C 	 InChI=1S/C7H9O3/c1-5(8)3-4-7(10)6(2)9/h3-4,7H,1-2H3 	 141.1446 
 MTBEAO2 	 [O]OCOC(C)(C)C 	 InChI=1S/C5H11O3/c1-5(2,3)7-4-8-6/h4H2,1-3H3 	 119.1390 
 OXYLOOH 	 OOCc1ccccc1C 	 InChI=1S/C8H10O2/c1-7-4-2-3-5-8(7)6-10-9/h2-5,9H,6H2,1H3 	 138.1638 
 MPAN 	 O=N(=O)OOC(=O)C(=C)C 	 InChI=1S/C4H5NO5/c1-3(2)4(6)9-10-5(7)8/h1H2,2H3 	 147.0862 
 CHCL3O2 	 [O]OC(Cl)C(Cl)Cl 	 InChI=1S/C2H2Cl3O2/c3-1(4)2(5)7-6/h1-2H 	 164.3951 
 HMVKAOOH 	 CC(=O)C(O)COO 	 InChI=1S/C4H8O4/c1-3(5)4(6)2-8-7/h4,6-7H,2H2,1H3 	 120.1039 
 MMCF 	 COC(=O)OC=O 	 InChI=1S/C3H4O4/c1-6-3(5)7-2-4/h2H,1H3 	 104.0615 
 BOXPOLBOOH 	 CCCCOC(OO)C(C)O 	 InChI=1S/C7H16O4/c1-3-4-5-10-7(11-9)6(2)8/h6-9H,3-5H2,1-2H3 	 164.1995 
 HO2M2C5O2 	 [O]OCCCC(C)(C)O 	 InChI=1S/C6H13O3/c1-6(2,7)4-3-5-9-8/h7H,3-5H2,1-2H3 	 133.1656 
 BUTDAOH 	 OCC=CCO 	 InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2 	 88.1051 
 PXYLCO2H 	 Cc1ccc(cc1)C(=O)O 	 InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10) 	 136.1479 
 OXYLPAN 	 O=N(=O)OOC(=O)c1ccccc1C 	 InChI=1S/C8H7NO5/c1-6-4-2-3-5-7(6)8(10)13-14-9(11)12/h2-5H,1H3 	 197.1449 
 OXYOLOH 	 CC1=CC(O)(O)C2OOC1(C)C2O 	 InChI=1S/C8H12O5/c1-4-3-8(10,11)6-5(9)7(4,2)13-12-6/h3,5-6,9-11H,1-2H3 	 188.1779 
 CHOC4CO3 	 O=CCCCCC(=O)O[O] 	 InChI=1S/C6H9O4/c7-5-3-1-2-4-6(8)10-9/h5H,1-4H2 	 145.1333 
 LIMBOO 	 [O-][O+]=CCC(CCC(=O)C)C(=C)C 	 InChI=1S/C10H16O3/c1-8(2)10(6-7-13-12)5-4-9(3)11/h7,10H,1,4-6H2,2-3H3 	 184.2322 
 NC730O2 	 [O-][N+](=O)OCC(C)(O[O])C(CCO)C=O 	 InChI=1S/C7H12NO7/c1-7(15-13,5-14-8(11)12)6(4-10)2-3-9/h4,6,9H,2-3,5H2,1H3 	 222.1727 
 BCLKCOOH 	 OOC(C=O)CC(=O)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H22O5/c1-9(16)4-5-12-11(7-14(12,2)3)13(17)6-10(8-15)19-18/h8,10-12,18H,4-7H2,1-3H3 	 270.3215 
 IPROMCCO3H 	 OOC(=O)C(C)OC(C)C 	 InChI=1S/C6H12O4/c1-4(2)9-5(3)6(7)10-8/h4-5,8H,1-3H3 	 148.1571 
 C62CO3H 	 OOC(=O)C(O)C(=O)C(=O)C(C)C 	 InChI=1S/C7H10O6/c1-3(2)4(8)5(9)6(10)7(11)13-12/h3,6,10,12H,1-2H3 	 190.1507 
 TOLUENE 	 Cc1ccccc1 	 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 	 92.1384 
 CHCL2CO3H 	 OOC(=O)C(Cl)Cl 	 InChI=1S/C2H2Cl2O3/c3-1(4)2(5)7-6/h1,6H 	 144.9415 
 BOXPRONBO 	 CCCCOC([O])C(=O)C 	 InChI=1S/C7H13O3/c1-3-4-5-10-7(9)6(2)8/h7H,3-5H2,1-2H3 	 145.1763 
 LMLKAOOH 	 O=CCC(CC(OO)C(=O)C)C(=O)C 	 InChI=1S/C9H14O5/c1-6(11)8(3-4-10)5-9(14-13)7(2)12/h4,8-9,13H,3,5H2,1-2H3 	 202.2045 
 LIMBO2 	 [O]OC1CC(CCC1(C)O)C(=C)C 	 InChI=1S/C10H17O3/c1-7(2)8-4-5-10(3,11)9(6-8)13-12/h8-9,11H,1,4-6H2,2-3H3 	 185.2402 
 BOXCOOLOOH 	 CCCC(OO)OC(=O)C(C)O 	 InChI=1S/C7H14O5/c1-3-4-6(12-10)11-7(9)5(2)8/h5-6,8,10H,3-4H2,1-2H3 	 178.1831 
 NPBNZOLOOH 	 CCCC12OOC(C2ON(=O)=O)C(O)(OO)C=C1 	 InChI=1S/C9H13NO8/c1-2-3-8-4-5-9(11,17-14)7(16-18-8)6(8)15-10(12)13/h4-7,11,14H,2-3H2,1H3 	 263.2014 
 BUTDAO2 	 [O]OCC=CCO 	 InChI=1S/C4H7O3/c5-3-1-2-4-7-6/h1-2,5H,3-4H2 	 103.0966 
 ECO3CO3H 	 CCC(=O)C(=O)C(=O)C(=O)OO 	 InChI=1S/C6H6O6/c1-2-3(7)4(8)5(9)6(10)12-11/h11H,2H2,1H3 	 174.1082 
 HO2M2C5OH 	 OCCCC(C)(C)O 	 InChI=1S/C6H14O2/c1-6(2,8)4-3-5-7/h7-8H,3-5H2,1-2H3 	 118.1742 
 NOETOL1O 	 CCc1c(C)ccc(N(=O)=O)c1[O] 	 InChI=1S/C9H10NO3/c1-3-7-6(2)4-5-8(9(7)11)10(12)13/h4-5H,3H2,1-2H3 	 180.1806 
 C6DCARBPAN 	 CCC(=O)C=CC(=O)OON(=O)=O 	 InChI=1S/C6H7NO6/c1-2-5(8)3-4-6(9)12-13-7(10)11/h3-4H,2H2,1H3 	 189.1229 
 TLCOBIPEOH 	 O=C1C=CC2OOC1(C)C2O 	 InChI=1S/C7H8O4/c1-7-5(8)3-2-4(6(7)9)10-11-7/h2-4,6,9H,1H3 	 156.1360 
 MIBKOH34 	 CC(=O)C(O)C(C)(C)O 	 InChI=1S/C6H12O3/c1-4(7)5(8)6(2,3)9/h5,8-9H,1-3H3 	 132.1577 
 C915OH 	 O=CC1C(=O)CCC(O)C1(C)C 	 InChI=1S/C9H14O3/c1-9(2)6(5-10)7(11)3-4-8(9)12/h5-6,8,12H,3-4H2,1-2H3 	 170.2057 
 DM123OOH 	 OOc1cccc(C)c1C 	 InChI=1S/C8H10O2/c1-6-4-3-5-8(10-9)7(6)2/h3-5,9H,1-2H3 	 138.1638 
 MTNCATECO2 	 CCC12OOC(C)(C(=C(O)C2(O)O[O])N(=O)=O)C1O 	 InChI=1S/C9H12NO9/c1-3-8-6(12)7(2,18-19-8)4(10(14)15)5(11)9(8,13)17-16/h6,11-13H,3H2,1-2H3 	 278.1929 
 NBCOOH 	 OOC1(C)CCC2C(CC2(C)C)C(=C)CCC1O[N+](=O)[O-] 	 InChI=1S/C15H25NO5/c1-10-5-6-13(20-16(17)18)15(4,21-19)8-7-12-11(10)9-14(12,2)3/h11-13,19H,1,5-9H2,2-4H3 	 299.3627 
 C915O2 	 [O]OC1CCC(=O)C(C=O)C1(C)C 	 InChI=1S/C9H13O4/c1-9(2)6(5-10)7(11)3-4-8(9)13-12/h5-6,8H,3-4H2,1-2H3 	 185.1971 
 HO2M2C5NO3 	 O=N(=O)OCCCC(C)(C)O 	 InChI=1S/C6H13NO4/c1-6(2,8)4-3-5-11-7(9)10/h8H,3-5H2,1-2H3 	 163.1717 
 HO6C7O 	 CCCCCC(O)C[O] 	 InChI=1S/C7H15O2/c1-2-3-4-5-7(9)6-8/h7,9H,2-6H2,1H3 	 131.1928 
 IPRACBCHO 	 O=CC(C)OC(=O)C 	 InChI=1S/C5H8O3/c1-4(3-6)8-5(2)7/h3-4H,1-2H3 	 116.1152 
 SBUACANO3 	 CCC(C)(OC(=O)C)ON(=O)=O 	 InChI=1S/C6H11NO5/c1-4-6(3,11-5(2)8)12-7(9)10/h4H2,1-3H3 	 177.1552 
 ETOC2OOH 	 CCOCCOO 	 InChI=1S/C4H10O3/c1-2-6-3-4-7-5/h5H,2-4H2,1H3 	 106.1204 
 C4DBM2CO3 	 [O]OC(=O)C(=C(C)C(=O)C=O)C 	 InChI=1S/C7H7O5/c1-4(6(9)3-8)5(2)7(10)12-11/h3H,1-2H3 	 171.1275 
 TMBOH 	 OCc1cc(C)cc(C)c1 	 InChI=1S/C9H12O/c1-7-3-8(2)5-9(4-7)6-10/h3-5,10H,6H2,1-2H3 	 136.1910 
 HM33C3CHO 	 OCCC(C)(C)C=O 	 InChI=1S/C6H12O2/c1-6(2,5-8)3-4-7/h5,7H,3-4H2,1-2H3 	 116.1583 
 LIMALOOA 	 O=CCC(CCC(=O)C)C(=[O+][O-])C 	 InChI=1S/C9H14O4/c1-7(11)3-4-9(5-6-10)8(2)13-12/h6,9H,3-5H2,1-2H3 	 186.2051 
 CHOCOCH2O2 	 [O]OCC(=O)C=O 	 InChI=1S/C3H3O4/c4-1-3(5)2-7-6/h1H,2H2 	 103.0535 
 MXYBIPENO3 	 O=N(=O)OC1C=CC2(C)OOC1(C)C2O 	 InChI=1S/C8H11NO6/c1-7-4-3-5(13-9(11)12)8(2,6(7)10)15-14-7/h3-6,10H,1-2H3 	 217.1760 
 ACR 	 C=CC=O 	 InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2 	 56.0633 
 C520OOH 	 OCC(OO)(C=O)C(=O)C 	 InChI=1S/C5H8O5/c1-4(8)5(2-6,3-7)10-9/h2,7,9H,3H2,1H3 	 148.1140 
 HOC2H4CO3 	 OCCC(=O)O[O] 	 InChI=1S/C3H5O4/c4-2-1-3(5)7-6/h4H,1-2H2 	 105.0694 
 ACEC2H4OOH 	 CC(=O)OCCOO 	 InChI=1S/C4H8O4/c1-4(5)7-2-3-8-6/h6H,2-3H2,1H3 	 120.1039 
 C520OOA 	 [O-][O+]=C(C)C(CO)C=O 	 InChI=1S/C5H8O4/c1-4(9-8)5(2-6)3-7/h2,5,7H,3H2,1H3 	 132.1146 
 HO2C6NO3 	 CC(O)CCC(C)ON(=O)=O 	 InChI=1S/C6H13NO4/c1-5(8)3-4-6(2)11-7(9)10/h5-6,8H,3-4H2,1-2H3 	 163.1717 
 MOCOCH2O2 	 [O]OCC(=O)OC 	 InChI=1S/C3H5O4/c1-6-3(4)2-7-5/h2H2,1H3 	 105.0694 
 BUTDBO 	 [O]C(CO)C=C 	 InChI=1S/C4H7O2/c1-2-4(6)3-5/h2,4-5H,1,3H2 	 87.0972 
 CYHXONAOOH 	 OOC1CCCC(=O)C1 	 InChI=1S/C6H10O3/c7-5-2-1-3-6(4-5)9-8/h6,8H,1-4H2 	 130.1418 
 C517PAN 	 OCC(CC(=O)OO[N+](=O)[O-])C(=O)C 	 InChI=1S/C6H9NO7/c1-4(9)5(3-8)2-6(10)13-14-7(11)12/h5,8H,2-3H2,1H3 	 207.1382 
 EOX2EOLAO 	 CCOC([O])CO 	 InChI=1S/C4H9O3/c1-2-7-4(6)3-5/h4-5H,2-3H2,1H3 	 105.1125 
 OXNNCATCO2 	 [O]OC1(O)C(=C(C)C2(C)OOC1(N(=O)=O)C2ON(=O)=O)O 	 InChI=1S/C8H9N2O11/c1-3-4(11)8(12,19-17)7(9(13)14)5(18-10(15)16)6(3,2)20-21-7/h5,11-12H,1-2H3 	 309.1639 
 IPBZMUCCO3 	 [O]OC(=O)C1OC1C=CC(=O)C(C)C 	 InChI=1S/C9H11O5/c1-5(2)6(10)3-4-7-8(13-7)9(11)14-12/h3-5,7-8H,1-2H3 	 199.1806 
 T124NNCTO 	 O=N(=O)OC1(C)C2(OOC1(C)C([O])(O)C(=C2C)O)N(=O)=O 	 InChI=1S/C9H11N2O10/c1-4-5(12)9(13,14)7(3)6(2,19-11(17)18)8(4,10(15)16)21-20-7/h12-13H,1-3H3 	 307.1910 
 C614OOH 	 OCC(OO)CC(=O)C(=O)C 	 InChI=1S/C6H10O5/c1-4(8)6(9)2-5(3-7)11-10/h5,7,10H,2-3H2,1H3 	 162.1406 
 LIMALAO 	 O=CCC(CC([O])C(=O)C)C(=C)C 	 InChI=1S/C10H15O3/c1-7(2)9(4-5-11)6-10(13)8(3)12/h5,9-10H,1,4,6H2,2-3H3 	 183.2243 
 ACBUONEAO2 	 [O]OC(CC(=O)C)OC(=O)C 	 InChI=1S/C6H9O5/c1-4(7)3-6(11-9)10-5(2)8/h6H,3H2,1-2H3 	 161.1327 
 IPROCHO 	 O=COC(C)C 	 InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3 	 88.1051 
 M22C43NO3 	 O=N(=O)OC(C)C(C)(C)C 	 InChI=1S/C6H13NO3/c1-5(6(2,3)4)10-7(8)9/h5H,1-4H3 	 147.1723 
 MEK 	 CCC(=O)C 	 InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3 	 72.1057 
 C612OOH 	 OOCC(=O)C(C)(C)CO 	 InChI=1S/C6H12O4/c1-6(2,4-7)5(8)3-10-9/h7,9H,3-4H2,1-2H3 	 148.1571 
 CO13C4CHO 	 O=CCC(=O)CC=O 	 InChI=1S/C5H6O3/c6-3-1-5(8)2-4-7/h3-4H,1-2H2 	 114.0993 
 H1C23C4O 	 [O]CC(=O)C(=O)CO 	 InChI=1S/C4H5O4/c5-1-3(7)4(8)2-6/h5H,1-2H2 	 117.0801 
 C85O2 	 [O]OC1CC(C(=O)C)C1(C)C 	 InChI=1S/C8H13O3/c1-5(9)6-4-7(11-10)8(6,2)3/h6-7H,4H2,1-3H3 	 157.1870 
 T123NNCOOH 	 OOC1(O)C(=C(N(=O)=O)C2(C)OOC1(C)C2(C)ON(=O)=O)O 	 InChI=1S/C9H12N2O11/c1-6-4(10(14)15)5(12)9(13,20-18)8(3,22-21-6)7(6,2)19-11(16)17/h12-13,18H,1-3H3 	 324.1984 
 C610OOH 	 OCC(OO)C(C)C(=O)C 	 InChI=1S/C6H12O4/c1-4(5(2)8)6(3-7)10-9/h4,6-7,9H,3H2,1-2H3 	 148.1571 
 C102O2 	 CCCCCC(O)CC(=O)C(C)O[O] 	 InChI=1S/C10H19O4/c1-3-4-5-6-9(11)7-10(12)8(2)14-13/h8-9,11H,3-7H2,1-2H3 	 203.2555 
 PEBQO 	 [O]CC(=O)C=C(CC)C(=O)CO.O=C1CCC(=O)C(=C1)C 	 InChI=1S/C8H11O4.C7H8O2/c1-2-6(8(12)5-10)3-7(11)4-9;1-5-4-6(8)2-3-7(5)9/h3,10H,2,4-5H2,1H3;4H,2-3H2,1H3 	 295.3078 
 C6H13CO3 	 CCCCCCC(=O)O[O] 	 InChI=1S/C7H13O3/c1-2-3-4-5-6-7(8)10-9/h2-6H2,1H3 	 145.1763 
 CH3CCH3OO 	 [O-][O+]=C(C)C 	 InChI=1S/C3H6O2/c1-3(2)5-4/h1-2H3 	 74.0785 
 INAHCO3H 	 OOC(=O)C(C)(O)C(O)CON(=O)=O 	 InChI=1S/C5H9NO8/c1-5(9,4(8)14-12)3(7)2-13-6(10)11/h3,7,9,12H,2H2,1H3 	 211.1269 
 C4NO3COO2 	 [O]OC(C=O)C(C)ON(=O)=O 	 InChI=1S/C4H6NO6/c1-3(10-5(7)8)4(2-6)11-9/h2-4H,1H3 	 164.0935 
 CO24C53OOH 	 OOC(C(=O)C)C(=O)C 	 InChI=1S/C5H8O4/c1-3(6)5(9-8)4(2)7/h5,8H,1-2H3 	 132.1146 
 NISOPO2 	 [O]OCC=C(C)CON(=O)=O 	 InChI=1S/C5H8NO5/c1-5(2-3-11-9)4-10-6(7)8/h2H,3-4H2,1H3 	 162.1207 
 NMETOLO 	 CCC12C=CC(O)([O])C(C)(OO1)C2ON(=O)=O 	 InChI=1S/C9H12NO7/c1-3-8-4-5-9(11,12)7(2,16-17-8)6(8)15-10(13)14/h4-6,11H,3H2,1-2H3 	 246.1941 
 METCATECH 	 CCc1cc(C)cc(O)c1O 	 InChI=1S/C9H12O2/c1-3-7-4-6(2)5-8(10)9(7)11/h4-5,10-11H,3H2,1-2H3 	 152.1904 
 MXYBIPERO2 	 [O]OC1C=CC2(C)OOC1(C)C2O 	 InChI=1S/C8H11O5/c1-7-4-3-5(11-10)8(2,6(7)9)13-12-7/h3-6,9H,1-2H3 	 187.1699 
 C4M2ALOHO 	 O=CC(O)C(C)([O])C=O 	 InChI=1S/C5H7O4/c1-5(9,3-7)4(8)2-6/h2-4,8H,1H3 	 131.1067 
 CO3C54CO3H 	 CCC(=O)C(C)C(=O)OO 	 InChI=1S/C6H10O4/c1-3-5(7)4(2)6(8)10-9/h4,9H,3H2,1-2H3 	 146.1412 
 NPETOLOOH 	 CCC12OOC(C(=CC2(O)OO)C)C1ON(=O)=O 	 InChI=1S/C9H13NO8/c1-3-8-7(15-10(12)13)6(16-18-8)5(2)4-9(8,11)17-14/h4,6-7,11,14H,3H2,1-2H3 	 263.2014 
 C4OCCOHCO 	 CC([O])C(O)C=O 	 InChI=1S/C4H7O3/c1-3(6)4(7)2-5/h2-4,7H,1H3 	 103.0966 
 H2M2C4CO3 	 [O]OC(=O)CCC(C)(C)O 	 InChI=1S/C6H11O4/c1-6(2,8)4-3-5(7)10-9/h8H,3-4H2,1-2H3 	 147.1491 
 CO13C3CO2H 	 O=CCC(=O)C(=O)O 	 InChI=1S/C4H4O4/c5-2-1-3(6)4(7)8/h2H,1H2,(H,7,8) 	 116.0722 
 NORPINIC 	 OC(=O)C1CC(C(=O)O)C1(C)C 	 InChI=1S/C8H12O4/c1-8(2)4(6(9)10)3-5(8)7(11)12/h4-5H,3H2,1-2H3,(H,9,10)(H,11,12) 	 172.1785 
 EPXMDLCO2H 	 O=CC1(C)OC1C(=O)O 	 InChI=1S/C5H6O4/c1-5(2-6)3(9-5)4(7)8/h2-3H,1H3,(H,7,8) 	 130.0987 
 C126O 	 [O]CCC(=C)C1CC(C)(C)C1CC=O 	 InChI=1S/C12H19O2/c1-9(4-6-13)10-8-12(2,3)11(10)5-7-14/h7,10-11H,1,4-6,8H2,2-3H3 	 195.2781 
 OXY1O 	 Cc1c(C)cccc1[O] 	 InChI=1S/C8H9O/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3 	 121.1565 
 ETBECCHO 	 O=CCOC(C)(C)C 	 InChI=1S/C6H12O2/c1-6(2,3)8-5-4-7/h4H,5H2,1-3H3 	 116.1583 
 PEAOH 	 CCCCCO 	 InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3 	 88.1482 
 NDNPHENO 	 O=N(=O)OC1C2OOC1(C=C(N(=O)=O)C2([O])O)N(=O)=O 	 InChI=1S/C6H4N3O11/c10-6(11)2(7(12)13)1-5(8(14)15)3(18-9(16)17)4(6)19-20-5/h1,3-4,10H 	 294.1095 
 DETLMUOH 	 CCC(=O)C(O)C(C)(O)C1OC1(CC)C=O 	 InChI=1S/C11H18O5/c1-4-7(13)8(14)10(3,15)9-11(5-2,6-12)16-9/h6,8-9,14-15H,4-5H2,1-3H3 	 230.2576 
 EOX2OLBOOH 	 OCCOC(C)OO 	 InChI=1S/C4H10O4/c1-4(8-6)7-3-2-5/h4-6H,2-3H2,1H3 	 122.1198 
 NBUTDAO2 	 [O]OC(C=C)CON(=O)=O 	 InChI=1S/C4H6NO5/c1-2-4(10-8)3-9-5(6)7/h2,4H,1,3H2 	 148.0941 
 NBUTDAOH 	 C=CC(O)CON(=O)=O 	 InChI=1S/C4H7NO4/c1-2-4(6)3-9-5(7)8/h2,4,6H,1,3H2 	 133.1027 
 NPBFUONE 	 CCCC1OC(=O)C(ON(=O)=O)C1=O 	 InChI=1S/C7H9NO6/c1-2-3-4-5(9)6(7(10)13-4)14-8(11)12/h4,6H,2-3H2,1H3 	 203.1495 
 CO3C54CHO 	 CC(C=O)C(=O)CC 	 InChI=1S/C6H10O2/c1-3-6(8)5(2)4-7/h4-5H,3H2,1-2H3 	 114.1424 
 NT123L1O 	 Cc1cc(N(=O)=O)c([O])c(C)c1C 	 InChI=1S/C9H10NO3/c1-5-4-8(10(12)13)9(11)7(3)6(5)2/h4H,1-3H3 	 180.1806 
 ETOLO2 	 [O]OC(C)c1ccccc1C 	 InChI=1S/C9H11O2/c1-7-5-3-4-6-9(7)8(2)11-10/h3-6,8H,1-2H3 	 151.1824 
 C73OOH 	 CC(OO)C(=O)CC(=O)C(=O)C 	 InChI=1S/C7H10O5/c1-4(8)6(9)3-7(10)5(2)12-11/h5,11H,3H2,1-2H3 	 174.1513 
 C5NO3CO4O 	 O=N(=O)OC(C)C(=O)C(C)[O] 	 InChI=1S/C5H8NO5/c1-3(7)5(8)4(2)11-6(9)10/h3-4H,1-2H3 	 162.1207 
 NC101O2 	 [O]OC12CC(=O)C(C)(ON(=O)=O)C(C1)C2(C)C 	 InChI=1S/C10H14NO6/c1-8(2)6-4-10(8,17-15)5-7(12)9(6,3)16-11(13)14/h6H,4-5H2,1-3H3 	 244.2213 
 PEAOOH 	 CCCCCOO 	 InChI=1S/C5H12O2/c1-2-3-4-5-7-6/h6H,2-5H2,1H3 	 104.1476 
 C125OOH 	 CCCCCCC(=O)C(=O)C(OO)C(=O)CC 	 InChI=1S/C12H20O5/c1-3-5-6-7-8-10(14)11(15)12(17-16)9(13)4-2/h12,16H,3-8H2,1-2H3 	 244.2842 
 C712O 	 CC(=O)CC(C)([O])C(C)O 	 InChI=1S/C7H13O3/c1-5(8)4-7(3,10)6(2)9/h6,9H,4H2,1-3H3 	 145.1763 
 H1MC5OOH 	 OCCC(C)C(C)OO 	 InChI=1S/C6H14O3/c1-5(3-4-7)6(2)9-8/h5-8H,3-4H2,1-2H3 	 134.1736 
 ISOPCOOH 	 OOCC(=CCO)C 	 InChI=1S/C5H10O3/c1-5(2-3-6)4-8-7/h2,6-7H,3-4H2,1H3 	 118.1311 
 PRCOFORMO2 	 CC(CC(=O)OC=O)O[O] 	 InChI=1S/C5H7O5/c1-4(10-8)2-5(7)9-3-6/h3-4H,2H2,1H3 	 147.1061 
 TM135OLOOH 	 OOC1(O)C(=CC2(C)OOC1(C)C2O)C 	 InChI=1S/C9H14O6/c1-5-4-7(2)6(10)8(3,15-14-7)9(5,11)13-12/h4,6,10-12H,1-3H3 	 218.2039 
 C6OTKETOH 	 OC(OC(=O)C(=O)C)C(=O)C 	 InChI=1S/C6H8O5/c1-3(7)5(9)11-6(10)4(2)8/h5,9H,1-2H3 	 160.1247 
 H2M4C65NO3 	 O=N(=O)OC(C)C(C)CC(C)O 	 InChI=1S/C7H15NO4/c1-5(4-6(2)9)7(3)12-8(10)11/h5-7,9H,4H2,1-3H3 	 177.1983 
 DMEPHOH 	 CCc1cc(C)cc(C)c1O 	 InChI=1S/C10H14O/c1-4-9-6-7(2)5-8(3)10(9)11/h5-6,11H,4H2,1-3H3 	 150.2176 
 C4MCO2O2 	 [O]OC(C)(C=O)C(=O)C 	 InChI=1S/C5H7O4/c1-4(7)5(2,3-6)9-8/h3H,1-2H3 	 131.1067 
 BOX2ECHO 	 CCCCOCC=O 	 InChI=1S/C6H12O2/c1-2-3-5-8-6-4-7/h4H,2-3,5-6H2,1H3 	 116.1583 
 MXYL1O 	 Cc1cccc([O])c1 	 InChI=1S/C7H7O/c1-6-3-2-4-7(8)5-6/h2-5H,1H3 	 107.1299 
 H2M3C4CO2H 	 OC(=O)CC(C)C(C)O 	 InChI=1S/C6H12O3/c1-4(5(2)7)3-6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9) 	 132.1577 
 M3PEBNO3 	 CCC(C)C(C)ON(=O)=O 	 InChI=1S/C6H13NO3/c1-4-5(2)6(3)10-7(8)9/h5-6H,4H2,1-3H3 	 147.1723 
 HO2C4OOH 	 OOCCC(C)O 	 InChI=1S/C4H10O3/c1-4(5)2-3-7-6/h4-6H,2-3H2,1H3 	 106.1204 
 C4MCO2OH 	 O=CC(C)(O)C(=O)C 	 InChI=1S/C5H8O3/c1-4(7)5(2,8)3-6/h3,8H,1-2H3 	 116.1152 
 C727CO3H 	 OOC(=O)C(CCC(=O)C)C(=O)C 	 InChI=1S/C8H12O5/c1-5(9)3-4-7(6(2)10)8(11)13-12/h7,12H,3-4H2,1-2H3 	 188.1779 
 EBZMUCO 	 CCC(=O)C([O])C(O)C1OC1C=O 	 InChI=1S/C8H11O5/c1-2-4(10)6(11)7(12)8-5(3-9)13-8/h3,5-8,12H,2H2,1H3 	 187.1699 
 T123NNCTO2 	 [O]OC1(O)C(=C(N(=O)=O)C2(C)OOC1(C)C2(C)ON(=O)=O)O 	 InChI=1S/C9H11N2O11/c1-6-4(10(14)15)5(12)9(13,20-18)8(3,22-21-6)7(6,2)19-11(16)17/h12-13H,1-3H3 	 323.1904 
 PRONO3BO 	 CC([O])CON(=O)=O 	 InChI=1S/C3H6NO4/c1-3(5)2-8-4(6)7/h3H,2H2,1H3 	 120.0840 
 OTNCATCOOH 	 CCC1=C(O)C(O)(OO)C2(OOC1(C)C2O)N(=O)=O 	 InChI=1S/C9H13NO9/c1-3-4-5(11)9(13,17-16)8(10(14)15)6(12)7(4,2)18-19-8/h6,11-13,16H,3H2,1-2H3 	 279.2008 
 C6OTKETO2 	 [O]OC(OC(=O)C(=O)C)C(=O)C 	 InChI=1S/C6H7O6/c1-3(7)5(9)11-6(12-10)4(2)8/h6H,1-2H3 	 175.1162 
 C925O 	 OCC(CC(=O)C(=O)C)C(C)([O])CO 	 InChI=1S/C9H15O5/c1-6(12)8(13)3-7(4-10)9(2,14)5-11/h7,10-11H,3-5H2,1-2H3 	 203.2124 
 INCOOH 	 OCC(OO)C(C)(O)CON(=O)=O 	 InChI=1S/C5H11NO7/c1-5(8,3-12-6(9)10)4(2-7)13-11/h4,7-8,11H,2-3H2,1H3 	 197.1433 
 ISOPBOOH 	 OCC(C)(OO)C=C 	 InChI=1S/C5H10O3/c1-3-5(2,4-6)8-7/h3,6-7H,1,4H2,2H3 	 118.1311 
 NDNCRESO 	 O=N(=O)OC1C2(OOC1(C)C([O])(O)C(=C2)N(=O)=O)N(=O)=O 	 InChI=1S/C7H6N3O11/c1-5-4(19-10(17)18)6(9(15)16,21-20-5)2-3(8(13)14)7(5,11)12/h2,4,11H,1H3 	 308.1360 
 NC730OH 	 [O-][N+](=O)OCC(C)(O)C(CCO)C=O 	 InChI=1S/C7H13NO6/c1-7(11,5-14-8(12)13)6(4-10)2-3-9/h4,6,9,11H,2-3,5H2,1H3 	 207.1812 
 NOAOO 	 [O-][O+]=C(C)CON(=O)=O 	 InChI=1S/C3H5NO5/c1-3(9-7)2-8-4(5)6/h2H2,1H3 	 135.0755 
 C6DICAROOH 	 OOC(C(O)C=O)C(=O)CC 	 InChI=1S/C6H10O5/c1-2-4(8)6(11-10)5(9)3-7/h3,5-6,9-10H,2H2,1H3 	 162.1406 
 IPMALANHY 	 O=C1OC(=O)C(=C1)C(C)C 	 InChI=1S/C7H8O3/c1-4(2)5-3-6(8)10-7(5)9/h3-4H,1-2H3 	 140.1366 
 DNMETOLO2 	 CCC1=C(N(=O)=O)C2(OOC(C)(C2O)C1(O)O[O])N(=O)=O 	 InChI=1S/C9H11N2O10/c1-3-4-5(10(14)15)8(11(16)17)6(12)7(2,20-21-8)9(4,13)19-18/h6,12-13H,3H2,1-2H3 	 307.1910 
 C516O2 	 OCC(O[O])CC(=O)C(=O)O 	 InChI=1S/C5H7O6/c6-2-3(11-10)1-4(7)5(8)9/h3,6H,1-2H2,(H,8,9) 	 163.1055 
 IC7DCCO3H 	 OOC(=O)C=CC(=O)C(C)C 	 InChI=1S/C7H10O4/c1-5(2)6(8)3-4-7(9)11-10/h3-5,10H,1-2H3 	 158.1519 
 IPRACBO 	 CC(C[O])OC(=O)C 	 InChI=1S/C5H9O3/c1-4(3-6)8-5(2)7/h4H,3H2,1-2H3 	 117.1232 
 IPBFUCO 	 O=C1C(=O)OC(C(C)C)C1O 	 InChI=1S/C7H10O4/c1-3(2)6-4(8)5(9)7(10)11-6/h3-4,6,8H,1-2H3 	 158.1519 
 CO2HOC61O 	 CCC(O)CC(=O)C[O] 	 InChI=1S/C6H11O3/c1-2-5(8)3-6(9)4-7/h5,8H,2-4H2,1H3 	 131.1497 
 MEMOXYCO3H 	 COCC(=O)OO 	 InChI=1S/C3H6O4/c1-6-2-3(4)7-5/h5H,2H2,1H3 	 106.0773 
 METOLO2 	 CCC12C=CC(O)(O[O])C(C)(OO1)C2O 	 InChI=1S/C9H13O6/c1-3-8-4-5-9(11,13-12)7(2,6(8)10)14-15-8/h4-6,10-11H,3H2,1-2H3 	 217.1959 
 METOLOH 	 CCC12C=CC(O)(O)C(C)(OO1)C2O 	 InChI=1S/C9H14O5/c1-3-8-4-5-9(11,12)7(2,6(8)10)13-14-8/h4-6,10-12H,3H2,1-2H3 	 202.2045 
 HO2C5OOH 	 OOCCCC(C)O 	 InChI=1S/C5H12O3/c1-5(6)3-2-4-8-7/h5-7H,2-4H2,1H3 	 120.1470 
 C33CO 	 O=CC(=O)C=O 	 InChI=1S/C3H2O3/c4-1-3(6)2-5/h1-2H 	 86.0462 
 PRCOOMCO3H 	 CCCC(=O)OCC(=O)OO 	 InChI=1S/C6H10O5/c1-2-3-5(7)10-4-6(8)11-9/h9H,2-4H2,1H3 	 162.1406 
 BCAL 	 O=CCCC(=C)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C15H24O2/c1-11(6-5-9-16)13-10-15(3,4)14(13)8-7-12(2)17/h9,13-14H,1,5-8,10H2,2-4H3 	 236.3499 
 C1213NO3 	 OCCC(=O)C(=O)CC(C)(C)C(CCC(=O)O)O[N+](=O)[O-] 	 InChI=1S/C12H19NO8/c1-12(2,7-9(16)8(15)5-6-14)10(21-13(19)20)3-4-11(17)18/h10,14H,3-7H2,1-2H3,(H,17,18) 	 305.2812 
 M2C43CHO 	 O=CC(C)C(C)C 	 InChI=1S/C6H12O/c1-5(2)6(3)4-7/h4-6H,1-3H3 	 100.1589 
 M3C4CO3 	 CC(CC(=O)O[O])CC 	 InChI=1S/C6H11O3/c1-3-5(2)4-6(7)9-8/h5H,3-4H2,1-2H3 	 131.1497 
 BRETO3 	 [O]OC(=O)CBr 	 InChI=1S/C2H2BrO3/c3-1-2(4)6-5/h1H2 	 153.9395 
 C61OOH 	 OOC(CC(=O)C)C(C)O 	 InChI=1S/C6H12O4/c1-4(7)3-6(10-9)5(2)8/h5-6,8-9H,3H2,1-2H3 	 148.1571 
 C64NO3 	 OCC(C)(CC(=O)C)ON(=O)=O 	 InChI=1S/C6H11NO5/c1-5(9)3-6(2,4-8)12-7(10)11/h8H,3-4H2,1-2H3 	 177.1552 
 C4NO3CO2H 	 CCCC(ON(=O)=O)C(=O)O 	 InChI=1S/C5H9NO5/c1-2-3-4(5(7)8)11-6(9)10/h4H,2-3H2,1H3,(H,7,8) 	 163.1287 
 C5CO2DBPAN 	 O=CC(=O)C=C(C)C(=O)OON(=O)=O 	 InChI=1S/C6H5NO7/c1-4(2-5(9)3-8)6(10)13-14-7(11)12/h2-3H,1H3 	 203.1064 
 ETHFORM 	 CCOC=O 	 InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3 	 74.0785 
 C131PAN 	 CC(=O)CCC1C(CC1(C)C)C(=O)CCC(=O)OO[N+](=O)[O-] 	 InChI=1S/C14H21NO7/c1-9(16)4-5-11-10(8-14(11,2)3)12(17)6-7-13(18)21-22-15(19)20/h10-11H,4-8H2,1-3H3 	 315.3190 
 DECO 	 CCCCCCCC([O])CC 	 InChI=1S/C10H21O/c1-3-5-6-7-8-9-10(11)4-2/h10H,3-9H2,1-2H3 	 157.2731 
 M2BKBOH 	 CCC(C)(O)C(=O)C 	 InChI=1S/C6H12O2/c1-4-6(3,8)5(2)7/h8H,4H2,1-3H3 	 116.1583 
 NNCATECO2 	 [O]OC1(O)C(=CC2(OOC1C2ON(=O)=O)N(=O)=O)O 	 InChI=1S/C6H5N2O11/c9-2-1-5(7(11)12)3(16-8(13)14)4(17-19-5)6(2,10)18-15/h1,3-4,9-10H 	 281.1107 
 MBOBOOH 	 OOCC(O)C(C)(C)O 	 InChI=1S/C5H12O4/c1-5(2,7)4(6)3-9-8/h4,6-8H,3H2,1-2H3 	 136.1464 
 C827CHO 	 O=CC(C)(C)C(=O)CCC(=O)C 	 InChI=1S/C9H14O3/c1-7(11)4-5-8(12)9(2,3)6-10/h6H,4-5H2,1-3H3 	 170.2057 
 HOCOC4DIAL 	 O=CC(=O)C(O)C=O 	 InChI=1S/C4H4O4/c5-1-3(7)4(8)2-6/h1-3,7H 	 116.0722 
 C1212O 	 OCCC(=O)C1([O])CC(C)(C)C1CCC(=O)O 	 InChI=1S/C12H19O5/c1-11(2)7-12(17,9(14)5-6-13)8(11)3-4-10(15)16/h8,13H,3-7H2,1-2H3,(H,15,16) 	 243.2763 
 C123OH 	 CCCCCCC(O)C(O)CC(=O)CC 	 InChI=1S/C12H24O3/c1-3-5-6-7-8-11(14)12(15)9-10(13)4-2/h11-12,14-15H,3-9H2,1-2H3 	 216.3172 
 C515CO3 	 [O]OC(=O)CC(=O)C(=O)CC=O 	 InChI=1S/C6H5O6/c7-2-1-4(8)5(9)3-6(10)12-11/h2H,1,3H2 	 173.1003 
 C1313OH 	 O=CCCC(O)(CO)C1CC(C)(C)C1CC=O 	 InChI=1S/C13H22O4/c1-12(2)8-11(10(12)4-7-15)13(17,9-16)5-3-6-14/h6-7,10-11,16-17H,3-5,8-9H2,1-2H3 	 242.3114 
 BOXPRONBO2 	 CCCCOC(O[O])C(=O)C 	 InChI=1S/C7H13O4/c1-3-4-5-10-7(11-9)6(2)8/h7H,3-5H2,1-2H3 	 161.1757 
 ETBE 	 CCOC(C)(C)C 	 InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3 	 102.1748 
 OXYLCO2H 	 OC(=O)c1ccccc1C 	 InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10) 	 136.1479 
 C67CO3 	 [O]OC(=O)CC(=O)C(C)(C)O 	 InChI=1S/C6H9O5/c1-6(2,9)4(7)3-5(8)11-10/h9H,3H2,1-2H3 	 161.1327 
 EPXALMKT 	 O=CC1OC1(C)C(=O)C 	 InChI=1S/C6H8O3/c1-4(8)6(2)5(3-7)9-6/h3,5H,1-2H3 	 128.1259 
 TMBCHO 	 O=Cc1cc(C)cc(C)c1 	 InChI=1S/C9H10O/c1-7-3-8(2)5-9(4-7)6-10/h3-6H,1-2H3 	 134.1751 
 PE1ENEBNO3 	 CCCC(O)CON(=O)=O 	 InChI=1S/C5H11NO4/c1-2-3-5(7)4-10-6(8)9/h5,7H,2-4H2,1H3 	 149.1451 
 BOXPRONBOH 	 CCCCOC(O)C(=O)C 	 InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h7,9H,3-5H2,1-2H3 	 146.1843 
 HO13C4OOH 	 OCCC(O)COO 	 InChI=1S/C4H10O4/c5-2-1-4(6)3-8-7/h4-7H,1-3H2 	 122.1198 
 C1313O2 	 O=CCCC(CO)(O[O])C1CC(C)(C)C1CC=O 	 InChI=1S/C13H21O5/c1-12(2)8-11(10(12)4-7-15)13(9-16,18-17)5-3-6-14/h6-7,10-11,16H,3-5,8-9H2,1-2H3 	 257.3028 
 C123O2 	 CCCCCCC(O)C(O[O])CC(=O)CC 	 InChI=1S/C12H23O4/c1-3-5-6-7-8-11(14)12(16-15)9-10(13)4-2/h11-12,14H,3-9H2,1-2H3 	 231.3086 
 EBZMUCCO3 	 CCC(=O)C=CC1OC1C(=O)O[O] 	 InChI=1S/C8H9O5/c1-2-5(9)3-4-6-7(12-6)8(10)13-11/h3-4,6-7H,2H2,1H3 	 185.1541 
 C519CO3 	 OCCC(C(=O)C)C(=O)O[O] 	 InChI=1S/C6H9O5/c1-4(8)5(2-3-7)6(9)11-10/h5,7H,2-3H2,1H3 	 161.1327 
 M2BKBO2 	 CCC(C)(O[O])C(=O)C 	 InChI=1S/C6H11O3/c1-4-6(3,9-8)5(2)7/h4H2,1-3H3 	 131.1497 
 PXYL1O 	 Cc1ccc([O])cc1 	 InChI=1S/C7H7O/c1-6-2-4-7(8)5-3-6/h2-5H,1H3 	 107.1299 
 C7MCO2DBAL 	 O=CC(=O)C=CC(=O)C(C)C 	 InChI=1S/C8H10O3/c1-6(2)8(11)4-3-7(10)5-9/h3-6H,1-2H3 	 154.1632 
 CH3CCL2OOH 	 OOC(C)(Cl)Cl 	 InChI=1S/C2H4Cl2O2/c1-2(3,4)6-5/h5H,1H3 	 130.9580 
 PHC3OH 	 CCC(O)c1ccccc1 	 InChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3 	 136.1910 
 NC4H9O 	 CCCC[O] 	 InChI=1S/C4H9O/c1-2-3-4-5/h2-4H2,1H3 	 73.1137 
 NBCO2 	 [O]OC1(C)CCC2C(CC2(C)C)C(=C)CCC1O[N+](=O)[O-] 	 InChI=1S/C15H24NO5/c1-10-5-6-13(20-16(17)18)15(4,21-19)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3 	 298.3548 
 OTNNCATOOH 	 CCC1=C(O)C(O)(OO)C2(OOC1(C)C2ON(=O)=O)N(=O)=O 	 InChI=1S/C9H12N2O11/c1-3-4-5(12)9(13,20-18)8(10(14)15)6(19-11(16)17)7(4,2)21-22-8/h6,12-13,18H,3H2,1-2H3 	 324.1984 
 CO2C3CO3 	 CC(=O)CC(=O)O[O] 	 InChI=1S/C4H5O4/c1-3(5)2-4(6)8-7/h2H2,1H3 	 117.0801 
 TM124MUNO3 	 O=CC1(C)OC1(C)C(ON(=O)=O)C(O)C(=O)C 	 InChI=1S/C9H13NO7/c1-5(12)6(13)7(16-10(14)15)9(3)8(2,4-11)17-9/h4,6-7,13H,1-3H3 	 247.2020 
 MIBKHO4CHO 	 O=CC(=O)CC(C)(C)O 	 InChI=1S/C6H10O3/c1-6(2,9)3-5(8)4-7/h4,9H,3H2,1-2H3 	 130.1418 
 IECCO3H 	 CC1(CO1)C(O)C(=O)OO 	 InChI=1S/C5H8O5/c1-5(2-9-5)3(6)4(7)10-8/h3,6,8H,2H2,1H3 	 148.1140 
 PXYMUCCO3 	 CC1(OC1C(=O)O[O])C=CC(=O)C 	 InChI=1S/C8H9O5/c1-5(9)3-4-8(2)6(12-8)7(10)13-11/h3-4,6H,1-2H3 	 185.1541 
 HM22CHO 	 OCC(C)(C)C=O 	 InChI=1S/C5H10O2/c1-5(2,3-6)4-7/h3,7H,4H2,1-2H3 	 102.1317 
 BOXPRONE 	 CCCCOCC(=O)C 	 InChI=1S/C7H14O2/c1-3-4-5-9-6-7(2)8/h3-6H2,1-2H3 	 130.1849 
 HEX2ONCO 	 CCCC([O])C(=O)C 	 InChI=1S/C6H11O2/c1-3-4-6(8)5(2)7/h6H,3-4H2,1-2H3 	 115.1503 
 UDECOH 	 CCCCCCCCC(O)CC 	 InChI=1S/C11H24O/c1-3-5-6-7-8-9-10-11(12)4-2/h11-12H,3-10H2,1-2H3 	 172.3077 
 DETLPOXMUC 	 CCC(=O)C=C(C)C1OC1(CC)C=O 	 InChI=1S/C11H16O3/c1-4-9(13)6-8(3)10-11(5-2,7-12)14-10/h6-7,10H,4-5H2,1-3H3 	 196.2429 
 MTNNCATOOH 	 CCC12OOC(C)(C(=C(O)C2(O)OO)N(=O)=O)C1ON(=O)=O 	 InChI=1S/C9H12N2O11/c1-3-8-6(19-11(16)17)7(2,21-22-8)4(10(14)15)5(12)9(8,13)20-18/h6,12-13,18H,3H2,1-2H3 	 324.1984 
 CYHXOLANO3 	 O=N(=O)OC1CCCCC1O 	 InChI=1S/C6H11NO4/c8-5-3-1-2-4-6(5)11-7(9)10/h5-6,8H,1-4H2 	 161.1558 
 C5DIALOOH 	 O=CC=CC(OO)C=O 	 InChI=1S/C5H6O4/c6-3-1-2-5(4-7)9-8/h1-5,8H 	 130.0987 
 HO3C96OOH 	 CCCC(OO)CCC(O)CC 	 InChI=1S/C9H20O3/c1-3-5-9(12-11)7-6-8(10)4-2/h8-11H,3-7H2,1-2H3 	 176.2533 
 OETLMUCO 	 O=CC([O])C(O)C1(C)OC1(CC)C=O 	 InChI=1S/C9H13O5/c1-3-9(5-11)8(2,14-9)7(13)6(12)4-10/h4-7,13H,3H2,1-2H3 	 201.1965 
 NOETLQO2 	 CCC1=C(C)C(=O)C(O[O])C(ON(=O)=O)C1=O 	 InChI=1S/C9H10NO7/c1-3-5-4(2)6(11)9(17-15)8(7(5)12)16-10(13)14/h8-9H,3H2,1-2H3 	 244.1782 
 EPXKTMCO3H 	 CC1(OC1C(=O)OO)C(=O)C 	 InChI=1S/C6H8O5/c1-3(7)6(2)4(10-6)5(8)11-9/h4,9H,1-2H3 	 160.1247 
 PHC3O2 	 CCC(O[O])c1ccccc1 	 InChI=1S/C9H11O2/c1-2-9(11-10)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3 	 151.1824 
 HCHO 	 C=O 	 InChI=1S/CH2O/c1-2/h1H2 	 30.0260 
 HO36C9 	 CCCC(O)CCC(O)CC 	 InChI=1S/C9H20O2/c1-3-5-9(11)7-6-8(10)4-2/h8-11H,3-7H2,1-2H3 	 160.2539 
 HO36C8 	 CCC(O)CCC(O)CC 	 InChI=1S/C8H18O2/c1-3-7(9)5-6-8(10)4-2/h7-10H,3-6H2,1-2H3 	 146.2273 
 C102OOH 	 CCCCCC(O)CC(=O)C(C)OO 	 InChI=1S/C10H20O4/c1-3-4-5-6-9(11)7-10(12)8(2)14-13/h8-9,11,13H,3-7H2,1-2H3 	 204.2634 
 C718OH 	 OCCC(=O)C(C)(C)C=O 	 InChI=1S/C7H12O3/c1-7(2,5-9)6(10)3-4-8/h5,8H,3-4H2,1-2H3 	 144.1684 
 PHCOMEO 	 [O]CC(=O)c1ccccc1 	 InChI=1S/C8H7O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2 	 135.1400 
 C6H5C2NO3 	 O=N(=O)OCCc1ccccc1 	 InChI=1S/C8H9NO3/c10-9(11)12-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2 	 167.1620 
 NPHENOH 	 O=N(=O)OC1C2OOC1C(O)(O)C=C2 	 InChI=1S/C6H7NO7/c8-6(9)2-1-3-4(12-7(10)11)5(6)14-13-3/h1-5,8-9H 	 205.1223 
 T124NCATO2 	 [O]OC1(O)C(=C(C)C2(OOC1(C)C2(C)O)N(=O)=O)O 	 InChI=1S/C9H12NO9/c1-4-5(11)9(13,17-16)7(3)6(2,12)8(4,10(14)15)19-18-7/h11-13H,1-3H3 	 278.1929 
 C613O2 	 OCC(O[O])C(C)(O)C(=O)C 	 InChI=1S/C6H11O5/c1-4(8)6(2,9)5(3-7)11-10/h5,7,9H,3H2,1-2H3 	 163.1485 
 PRONOCOMO 	 CC(=O)COC(=O)C[O] 	 InChI=1S/C5H7O4/c1-4(7)3-9-5(8)2-6/h2-3H2,1H3 	 131.1067 
 C831O 	 O=CCC([O])C(C)(C)CC=O 	 InChI=1S/C8H13O3/c1-8(2,4-6-10)7(11)3-5-9/h5-7H,3-4H2,1-2H3 	 157.1870 
 CH2CLOH 	 OCCl 	 InChI=1S/CH3ClO/c2-1-3/h3H,1H2 	 66.4869 
 NLMKAO 	 [O-][N+](=O)OC1CC(CCC1(C)[O])C(=O)C 	 InChI=1S/C9H14NO5/c1-6(11)7-3-4-9(2,12)8(5-7)15-10(13)14/h7-8H,3-5H2,1-2H3 	 216.2112 
 CLOHPAN 	 O=N(=O)OOC(=O)C(O)Cl 	 InChI=1S/C2H2ClNO6/c3-1(5)2(6)9-10-4(7)8/h1,5H 	 171.4934 
 C6H13CO2H 	 CCCCCCC(=O)O 	 InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9) 	 130.1849 
 CHOC3COCO3 	 [O]OC(=O)CC(=O)CC=O 	 InChI=1S/C5H5O5/c6-2-1-4(7)3-5(8)10-9/h2H,1,3H2 	 145.0902 
 MACROHNO3 	 O=CC(C)(O)CON(=O)=O 	 InChI=1S/C4H7NO5/c1-4(7,2-6)3-10-5(8)9/h2,7H,3H2,1H3 	 149.1021 
 CO234C65O 	 CC([O])C(=O)C(=O)C(=O)C 	 InChI=1S/C6H7O4/c1-3(7)5(9)6(10)4(2)8/h3H,1-2H3 	 143.1174 
 C1312NO3 	 O=CCCC(=C)C(=O)CC(C)(C)C(CCO)O[N+](=O)[O-] 	 InChI=1S/C13H21NO6/c1-10(5-4-7-15)11(17)9-13(2,3)12(6-8-16)20-14(18)19/h7,12,16H,1,4-6,8-9H2,2-3H3 	 287.3089 
 OXYMUCCO3 	 CC1(OC1(C)C(=O)O[O])C=CC=O 	 InChI=1S/C8H9O5/c1-7(4-3-5-9)8(2,13-7)6(10)12-11/h3-5H,1-2H3 	 185.1541 
 C8CO4DB 	 O=CC(=O)C=C(C)C(=O)C(=O)C 	 InChI=1S/C8H8O4/c1-5(3-7(11)4-9)8(12)6(2)10/h3-4H,1-2H3 	 168.1467 
 C102O 	 CCCCCC(O)CC(=O)C(C)[O] 	 InChI=1S/C10H19O3/c1-3-4-5-6-9(12)7-10(13)8(2)11/h8-9,12H,3-7H2,1-2H3 	 187.2561 
 NPHENO2 	 [O]OC1(O)C=CC2OOC1C2ON(=O)=O 	 InChI=1S/C6H6NO8/c8-6(15-11)2-1-3-4(12-7(9)10)5(6)14-13-3/h1-5,8H 	 220.1137 
 C6CONO34O 	 CCC([O])C(ON(=O)=O)C(=O)C 	 InChI=1S/C6H10NO5/c1-3-5(9)6(4(2)8)12-7(10)11/h5-6H,3H2,1-2H3 	 176.1473 
 NORLIMO 	 CC([O])(CO)C(CCC(=O)C)C=O 	 InChI=1S/C9H15O4/c1-7(12)3-4-8(5-10)9(2,13)6-11/h5,8,11H,3-4,6H2,1-2H3 	 187.2130 
 HO5C6O2 	 CCCCC(O)CO[O] 	 InChI=1S/C6H13O3/c1-2-3-4-6(7)5-9-8/h6-7H,2-5H2,1H3 	 133.1656 
 CO1M22CO3 	 [O]OC(=O)C(C)(C)C=O 	 InChI=1S/C5H7O4/c1-5(2,3-6)4(7)9-8/h3H,1-2H3 	 131.1067 
 NBZFUO2 	 [O]OC1C(=O)OCC1ON(=O)=O 	 InChI=1S/C4H4NO7/c6-4-3(12-9)2(1-10-4)11-5(7)8/h2-3H,1H2 	 178.0771 
 PHCOETOH 	 O=C(C(C)O)c1ccccc1 	 InChI=1S/C9H10O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,10H,1H3 	 150.1745 
 C520O2 	 OCC(O[O])(C=O)C(=O)C 	 InChI=1S/C5H7O5/c1-4(8)5(2-6,3-7)10-9/h2,7H,3H2,1H3 	 147.1061 
 C57NO3CO3H 	 OCC(O)C(C)(ON(=O)=O)C(=O)OO 	 InChI=1S/C5H9NO8/c1-5(3(8)2-7,4(9)13-12)14-6(10)11/h3,7-8,12H,2H2,1H3 	 211.1269 
 C719NO3 	 O=C1CC(O)C(C)(ON(=O)=O)C(O)C1 	 InChI=1S/C7H11NO6/c1-7(14-8(12)13)5(10)2-4(9)3-6(7)11/h5-6,10-11H,2-3H2,1H3 	 205.1653 
 C77CO 	 CC(=O)CC(=O)C(C)(C)O 	 InChI=1S/C7H12O3/c1-5(8)4-6(9)7(2,3)10/h10H,4H2,1-3H3 	 144.1684 
 MGLOO 	 [O-][O+]=CC(=O)C 	 InChI=1S/C3H4O3/c1-3(4)2-6-5/h2H,1H3 	 88.0621 
 C823OH 	 OCC(CCC(=O)O)C(=C)C 	 InChI=1S/C8H14O3/c1-6(2)7(5-9)3-4-8(10)11/h7,9H,1,3-5H2,2H3,(H,10,11) 	 158.1950 
 TCEOHOOH 	 OOC(Cl)(Cl)C(O)(Cl)Cl 	 InChI=1S/C2H2Cl4O3/c3-1(4,7)2(5,6)9-8/h7-8H 	 215.8475 
 NC4H9OOH 	 CCCCOO 	 InChI=1S/C4H10O2/c1-2-3-4-6-5/h5H,2-4H2,1H3 	 90.1210 
 C817CO3H 	 OOC(=O)CC(CCC(=O)C)C(=O)C 	 InChI=1S/C9H14O5/c1-6(10)3-4-8(7(2)11)5-9(12)14-13/h8,13H,3-5H2,1-2H3 	 202.2045 
 H13C43CO3H 	 OCCC(C)(O)C(=O)OO 	 InChI=1S/C5H10O5/c1-5(8,2-3-6)4(7)10-9/h6,8-9H,2-3H2,1H3 	 150.1299 
 C823O2 	 [O]OCC(CCC(=O)O)C(=C)C 	 InChI=1S/C8H13O4/c1-6(2)7(5-12-11)3-4-8(9)10/h7H,1,3-5H2,2H3,(H,9,10) 	 173.1864 
 NBUACAOH 	 CC(O)CCOC(=O)C 	 InChI=1S/C6H12O3/c1-5(7)3-4-9-6(2)8/h5,7H,3-4H2,1-2H3 	 132.1577 
 NDNOXYOLO2 	 [O]OC1(O)C(=C(C)C2(C)OOC1(N(=O)=O)C2ON(=O)=O)N(=O)=O 	 InChI=1S/C8H8N3O12/c1-3-4(9(13)14)8(12,21-19)7(10(15)16)5(20-11(17)18)6(3,2)22-23-7/h5,12H,1-2H3 	 338.1620 
 C62NO33O 	 CCCC([O])C(C)ON(=O)=O 	 InChI=1S/C6H12NO4/c1-3-4-6(8)5(2)11-7(9)10/h5-6H,3-4H2,1-2H3 	 162.1638 
 C109O 	 O=CCC1CC(C(=O)C[O])C1(C)C 	 InChI=1S/C10H15O3/c1-10(2)7(3-4-11)5-8(10)9(13)6-12/h4,7-8H,3,5-6H2,1-2H3 	 183.2243 
 PHC3O 	 CCC([O])c1ccccc1 	 InChI=1S/C9H11O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3 	 135.1830 
 C6CO2OHPAN 	 O=CC(O)C(=O)C(=CC(=O)OON(=O)=O)C 	 InChI=1S/C7H7NO8/c1-4(7(12)5(10)3-9)2-6(11)15-16-8(13)14/h2-3,5,10H,1H3 	 233.1324 
 MACRNBCO3H 	 O=N(=O)OCC(C)(O)C(=O)O 	 InChI=1S/C4H7NO6/c1-4(8,3(6)7)2-11-5(9)10/h8H,2H2,1H3,(H,6,7) 	 165.1015 
 EMPOHNO2O2 	 CCC1=CC(O)(O[O])C2(OOC1C2(C)O)N(=O)=O 	 InChI=1S/C9H12NO8/c1-3-5-4-8(12,17-15)9(10(13)14)7(2,11)6(5)16-18-9/h4,6,11-12H,3H2,1-2H3 	 262.1935 
 PHCOETO2 	 [O]OC(C)C(=O)c1ccccc1 	 InChI=1S/C9H9O3/c1-7(12-11)9(10)8-5-3-2-4-6-8/h2-7H,1H3 	 165.1660 
 NPHEN1OOH 	 OOc1ccccc1N(=O)=O 	 InChI=1S/C6H5NO4/c8-7(9)5-3-1-2-4-6(5)11-10/h1-4,10H 	 155.1082 
 C811NO3 	 O=N(=O)OCC1CC(C(=O)O)C1(C)C 	 InChI=1S/C8H13NO5/c1-8(2)5(4-14-9(12)13)3-6(8)7(10)11/h5-6H,3-4H2,1-2H3,(H,10,11) 	 203.1925 
 C2H5CHO 	 CCC=O 	 InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3 	 58.0791 
 INDHCO3H 	 OCC(ON(=O)=O)C(C)(O)C(=O)OO 	 InChI=1S/C5H9NO8/c1-5(9,4(8)14-12)3(2-7)13-6(10)11/h3,7,9,12H,2H2,1H3 	 211.1269 
 CH2OHCL2O2H 	 OOCl.OCCCl 	 InChI=1S/C2H5ClO.ClHO2/c3-1-2-4;1-3-2/h4H,1-2H2;2H 	 148.9732 
 C2CL3OHBO2 	 [O]OC(Cl)C(O)(Cl)Cl 	 InChI=1S/C2H2Cl3O3/c3-1(8-7)2(4,5)6/h1,6H 	 180.3945 
 HIEB2O2 	 [O]OC(C=O)C(O)(CO)CO 	 InChI=1S/C5H9O6/c6-1-4(11-10)5(9,2-7)3-8/h1,4,7-9H,2-3H2 	 165.1214 
 NC728O 	 O=CCC(CO)C(C)([O])CO[N+](=O)[O-] 	 InChI=1S/C7H12NO6/c1-7(11,5-14-8(12)13)6(4-10)2-3-9/h3,6,10H,2,4-5H2,1H3 	 206.1733 
 TM124MUCOH 	 O=CC1(C)OC1(C)C(O)C(O)C(=O)C 	 InChI=1S/C9H14O5/c1-5(11)6(12)7(13)9(3)8(2,4-10)14-9/h4,6-7,12-13H,1-3H3 	 202.2045 
 MTCTEC1OOH 	 CCc1cc(C)cc(O)c1OO 	 InChI=1S/C9H12O3/c1-3-7-4-6(2)5-8(10)9(7)12-11/h4-5,10-11H,3H2,1-2H3 	 168.1898 
 C137OH 	 OCCC(=C)C1CC(C)(C)C1CCC(=O)O 	 InChI=1S/C13H22O3/c1-9(6-7-14)10-8-13(2,3)11(10)4-5-12(15)16/h10-11,14H,1,4-8H2,2-3H3,(H,15,16) 	 226.3120 
 C137O2 	 [O]OCCC(=C)C1CC(C)(C)C1CCC(=O)O 	 InChI=1S/C13H21O4/c1-9(6-7-17-16)10-8-13(2,3)11(10)4-5-12(14)15/h10-11H,1,4-8H2,2-3H3,(H,14,15) 	 241.3034 
 TM124MUCO2 	 [O]OC(C(O)C(=O)C)C1(C)OC1(C)C=O 	 InChI=1S/C9H13O6/c1-5(11)6(12)7(14-13)9(3)8(2,4-10)15-9/h4,6-7,12H,1-3H3 	 217.1959 
 TM124MUCO3 	 CC1(OC1(C)C(=O)O[O])C=CC(=O)C 	 InChI=1S/C9H11O5/c1-6(10)4-5-8(2)9(3,14-8)7(11)13-12/h4-5H,1-3H3 	 199.1806 
 C3MDIALOOH 	 OOC(C)(C=O)C=O 	 InChI=1S/C4H6O4/c1-4(2-5,3-6)8-7/h2-3,7H,1H3 	 118.0880 
 MXYLO 	 [O]Cc1cccc(C)c1 	 InChI=1S/C8H9O/c1-7-3-2-4-8(5-7)6-9/h2-5H,6H2,1H3 	 121.1565 
 CO2MC5OH 	 CC(CC(=O)C)CO 	 InChI=1S/C6H12O2/c1-5(4-7)3-6(2)8/h5,7H,3-4H2,1-2H3 	 116.1583 
 DDECO 	 CCCCCCCCCC([O])CC 	 InChI=1S/C12H25O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h12H,3-11H2,1-2H3 	 185.3263 
 C6CO3HO4 	 CCC(=O)C(O)CC 	 InChI=1S/C6H12O2/c1-3-5(7)6(8)4-2/h5,7H,3-4H2,1-2H3 	 116.1583 
 CH3COCCLO 	 CC(=O)C([O])Cl 	 InChI=1S/C3H4ClO2/c1-2(5)3(4)6/h3H,1H3 	 107.5157 
 C151NO3 	 OCC(CCC(=O)O)(O[N+](=O)[O-])C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C15H25NO7/c1-10(18)4-5-11-12(8-14(11,2)3)15(9-17,23-16(21)22)7-6-13(19)20/h11-12,17H,4-9H2,1-3H3,(H,19,20) 	 331.3615 
 C73O2 	 CC(O[O])C(=O)CC(=O)C(=O)C 	 InChI=1S/C7H9O5/c1-4(8)6(9)3-7(10)5(2)12-11/h5H,3H2,1-2H3 	 173.1434 
 C816CO3H 	 OOC(=O)C(CCC(=O)C)C(=C)C 	 InChI=1S/C9H14O4/c1-6(2)8(9(11)13-12)5-4-7(3)10/h8,12H,1,4-5H2,2-3H3 	 186.2051 
 C8CO2DBCO3 	 CCCC(=CC(=O)C=O)C(=O)O[O] 	 InChI=1S/C8H9O5/c1-2-3-6(8(11)13-12)4-7(10)5-9/h4-5H,2-3H2,1H3 	 185.1541 
 ETOMEOOH 	 CCOCOO 	 InChI=1S/C3H8O3/c1-2-5-3-6-4/h4H,2-3H2,1H3 	 92.0938 
 PRCOOMOOH 	 CCCC(=O)OCOO 	 InChI=1S/C5H10O4/c1-2-3-5(6)8-4-9-7/h7H,2-4H2,1H3 	 134.1305 
 C816PAN 	 CC(=O)CCC(C(=C)C)C(=O)OO[N+](=O)[O-] 	 InChI=1S/C9H13NO6/c1-6(2)8(5-4-7(3)11)9(12)15-16-10(13)14/h8H,1,4-5H2,2-3H3 	 231.2026 
 NPBFUOOH 	 CCCC1OC(=O)C(OO)C1ON(=O)=O 	 InChI=1S/C7H11NO7/c1-2-3-4-5(14-8(10)11)6(15-12)7(9)13-4/h4-6,12H,2-3H2,1H3 	 221.1647 
 C732O 	 [O]CC(CCC(=O)O)C(=O)C 	 InChI=1S/C7H11O4/c1-5(9)6(4-8)2-3-7(10)11/h6H,2-4H2,1H3,(H,10,11) 	 159.1598 
 PTCTEC1OOH 	 OOc1c(CC)ccc(C)c1O 	 InChI=1S/C9H12O3/c1-3-7-5-4-6(2)8(10)9(7)12-11/h4-5,10-11H,3H2,1-2H3 	 168.1898 
 NDNPHENOOH 	 OOC1(O)C(=CC2(OOC1C2ON(=O)=O)N(=O)=O)N(=O)=O 	 InChI=1S/C6H5N3O12/c10-6(20-17)2(7(11)12)1-5(8(13)14)3(18-9(15)16)4(6)19-21-5/h1,3-4,10,17H 	 311.1168 
 TL4OHNO2O 	 O=N(=O)C1=CC2(C)OOC(C2O)C1([O])O 	 InChI=1S/C7H8NO7/c1-6-2-3(8(12)13)7(10,11)5(4(6)9)14-15-6/h2,4-5,9-10H,1H3 	 218.1409 
 C517CO2H 	 OCC(CC(=O)O)C(=O)C 	 InChI=1S/C6H10O4/c1-4(8)5(3-7)2-6(9)10/h5,7H,2-3H2,1H3,(H,9,10) 	 146.1412 
 PXYMUCCO3H 	 CC1(OC1C(=O)OO)C=CC(=O)C 	 InChI=1S/C8H10O5/c1-5(9)3-4-8(2)6(12-8)7(10)13-11/h3-4,6,11H,1-2H3 	 186.1620 
 MECOFORMO2 	 [O]OCC(=O)OC=O 	 InChI=1S/C3H3O5/c4-2-7-3(5)1-8-6/h2H,1H2 	 119.0529 
 NOETOL1OOH 	 CCc1c(C)ccc(N(=O)=O)c1OO 	 InChI=1S/C9H11NO4/c1-3-7-6(2)4-5-8(10(11)12)9(7)14-13/h4-5,13H,3H2,1-2H3 	 197.1879 
 HO2C54NO3 	 CC(O)CC(C)ON(=O)=O 	 InChI=1S/C5H11NO4/c1-4(7)3-5(2)10-6(8)9/h4-5,7H,3H2,1-2H3 	 149.1451 
 MACRNCO3 	 [O]OC(=O)C(C)(CO)ON(=O)=O 	 InChI=1S/C4H6NO7/c1-4(2-6,3(7)11-10)12-5(8)9/h6H,2H2,1H3 	 180.0929 
 NPXYOL1O2 	 [O]Oc1c(C)ccc(C)c1N(=O)=O 	 InChI=1S/C8H8NO4/c1-5-3-4-6(2)8(13-12)7(5)9(10)11/h3-4H,1-2H3 	 182.1534 
 C62O2 	 [O]OC(C(=O)C)C(=O)C(=O)C 	 InChI=1S/C6H7O5/c1-3(7)5(9)6(11-10)4(2)8/h6H,1-2H3 	 159.1168 
 IC4H9O 	 [O]CC(C)C 	 InChI=1S/C4H9O/c1-4(2)3-5/h4H,3H2,1-2H3 	 73.1137 
 BZEMUCNO3 	 O=CC1OC1C(ON(=O)=O)C(O)C=O 	 InChI=1S/C6H7NO7/c8-1-3(10)5(14-7(11)12)6-4(2-9)13-6/h1-6,10H 	 205.1223 
 PXYBIPERO 	 OC1C2OOC1(C)C=CC2(C)[O] 	 InChI=1S/C8H11O4/c1-7(10)3-4-8(2)5(9)6(7)11-12-8/h3-6,9H,1-2H3 	 171.1705 
 C3H6 	 CC=C 	 InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3 	 42.0797 
 ACEETOHO2 	 CC(=O)OC(O)CO[O] 	 InChI=1S/C4H7O5/c1-3(5)9-4(6)2-8-7/h4,6H,2H2,1H3 	 135.0954 
 OXYBPER2OH 	 OC1C2C=CC(C)(O)C1(C)OO2 	 InChI=1S/C8H12O4/c1-7(10)4-3-5-6(9)8(7,2)12-11-5/h3-6,9-10H,1-2H3 	 172.1785 
 HO7C8OOH 	 CCCCCCC(O)COO 	 InChI=1S/C8H18O3/c1-2-3-4-5-6-8(9)7-11-10/h8-10H,2-7H2,1H3 	 162.2267 
 C118CO 	 OCCC(=O)C(=O)CC(C)(C)C(=O)CC=O 	 InChI=1S/C11H16O5/c1-11(2,10(16)4-6-13)7-9(15)8(14)3-5-12/h6,12H,3-5,7H2,1-2H3 	 228.2417 
 C3H8 	 CCC 	 InChI=1S/C3H8/c1-3-2/h3H2,1-2H3 	 44.0956 
 BCKOOA 	 O=CCCC(=O)C1CC(C)(C)C1CCC(=[O+][O-])C 	 InChI=1S/C14H22O4/c1-10(18-17)6-7-12-11(9-14(12,2)3)13(16)5-4-8-15/h8,11-12H,4-7,9H2,1-3H3 	 254.3221 
 BCKOOB 	 [O-][O+]=CCCC(=O)C1CC(C)(C)C1CCC(=O)C	 	 InChI=1S/C14H22O4/c1-10(15)6-7-12-11(9-14(12,2)3)13(16)5-4-8-18-17/h8,11-12H,4-7,9H2,1-3H3 	 254.3221 
 C6135COOOH 	 OOCC(=O)CC(=O)CC=O 	 InChI=1S/C6H8O5/c7-2-1-5(8)3-6(9)4-11-10/h2,10H,1,3-4H2 	 160.1247 
 NPRACCOH 	 CC(=O)OCCCO 	 InChI=1S/C5H10O3/c1-5(7)8-4-2-3-6/h6H,2-4H2,1H3 	 118.1311 
 MEBFUONE 	 CCC1OC(=O)C(=C1)C 	 InChI=1S/C7H10O2/c1-3-6-4-5(2)7(8)9-6/h4,6H,3H2,1-2H3 	 126.1531 
 C124O 	 CCCCCCC(=O)C([O])CC(=O)CC 	 InChI=1S/C12H21O3/c1-3-5-6-7-8-11(14)12(15)9-10(13)4-2/h12H,3-9H2,1-2H3 	 213.2933 
 BOXCOEOLO 	 CCCC([O])OC(=O)C(C)O 	 InChI=1S/C7H13O4/c1-3-4-6(9)11-7(10)5(2)8/h5-6,8H,3-4H2,1-2H3 	 161.1757 
 HO1C4O 	 OCCCC[O] 	 InChI=1S/C4H9O2/c5-3-1-2-4-6/h5H,1-4H2 	 89.1131 
 MPRKNO3 	 CC(=O)CC(C)ON(=O)=O 	 InChI=1S/C5H9NO4/c1-4(7)3-5(2)10-6(8)9/h5H,3H2,1-2H3 	 147.1293 
 NBUTOLANO3 	 CCC(CO)ON(=O)=O 	 InChI=1S/C4H9NO4/c1-2-4(3-6)9-5(7)8/h4,6H,2-3H2,1H3 	 135.1186 
 OETLMUCOOH 	 OOC(C=O)C(O)C1(C)OC1(CC)C=O 	 InChI=1S/C9H14O6/c1-3-9(5-11)8(2,15-9)7(12)6(4-10)14-13/h4-7,12-13H,3H2,1-2H3 	 218.2039 
 HO5C5CO3H 	 CCCCC(O)C(=O)OO 	 InChI=1S/C6H12O4/c1-2-3-4-5(7)6(8)10-9/h5,7,9H,2-4H2,1H3 	 148.1571 
 ETHFORMOOH 	 CC(OC=O)OO 	 InChI=1S/C3H6O4/c1-3(7-5)6-2-4/h2-3,5H,1H3 	 106.0773 
 EBENZO 	 CCc1ccccc1[O] 	 InChI=1S/C8H9O/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3 	 121.1565 
 MOXYCOCHO 	 COC(=O)C=O 	 InChI=1S/C3H4O3/c1-6-3(5)2-4/h2H,1H3 	 88.0621 
 TM135MUO3H 	 OOC(=O)C1(C)OC1C(=CC(=O)C)C 	 InChI=1S/C9H12O5/c1-5(4-6(2)10)7-9(3,13-7)8(11)14-12/h4,7,12H,1-3H3 	 200.1886 
 C714O 	 CC(=O)C([O])C(C)C(=O)C 	 InChI=1S/C7H11O3/c1-4(5(2)8)7(10)6(3)9/h4,7H,1-3H3 	 143.1604 
 NLIMO2 	 [O-][N+](=O)OC1CC(CCC1(C)O[O])C(=C)C 	 InChI=1S/C10H16NO5/c1-7(2)8-4-5-10(3,16-14)9(6-8)15-11(12)13/h8-9H,1,4-6H2,2-3H3 	 230.2377 
 ACCOC3H6O 	 CC([O])CC(=O)OC(=O)C 	 InChI=1S/C6H9O4/c1-4(7)3-6(9)10-5(2)8/h4H,3H2,1-2H3 	 145.1333 
 MXOHNO2OOH 	 OOC1(O)C(=CC2(C)OOC1(N(=O)=O)C2O)C 	 InChI=1S/C8H11NO8/c1-4-3-6(2)5(10)7(9(12)13,17-16-6)8(4,11)15-14/h3,5,10-11,14H,1-2H3 	 249.1748 
 C817CO 	 O=CC(CCC(=O)C)C(=O)C 	 InChI=1S/C8H12O3/c1-6(10)3-4-8(5-9)7(2)11/h5,8H,3-4H2,1-2H3 	 156.1791 
 CCLCONO3 	 O=CC(Cl)ON(=O)=O 	 InChI=1S/C2H2ClNO4/c3-2(1-5)8-4(6)7/h1-2H 	 139.4946 
 C56O2 	 [O]OCC(O)C(C)CO 	 InChI=1S/C5H11O4/c1-4(2-6)5(7)3-9-8/h4-7H,2-3H2,1H3 	 135.1384 
 H2C3OCOH 	 OCOCC(C)O 	 InChI=1S/C4H10O3/c1-4(6)2-7-3-5/h4-6H,2-3H2,1H3 	 106.1204 
 M3HEXBOH 	 CCCC(C)(O)CC 	 InChI=1S/C7H16O/c1-4-6-7(3,8)5-2/h8H,4-6H2,1-3H3 	 116.2013 
 M3HEXBO2 	 CCCC(C)(CC)O[O] 	 InChI=1S/C7H15O2/c1-4-6-7(3,5-2)9-8/h4-6H2,1-3H3 	 131.1928 
 METLMUCO3H 	 CCC(=O)C=CC1OC1(C)C(=O)OO 	 InChI=1S/C9H12O5/c1-3-6(10)4-5-7-9(2,13-7)8(11)14-12/h4-5,7,12H,3H2,1-2H3 	 200.1886 
 ACOMCOMOOH 	 OOCC(=O)CC(=O)OC(=O)C 	 InChI=1S/C6H8O6/c1-4(7)12-6(9)2-5(8)3-11-10/h10H,2-3H2,1H3 	 176.1241 
 CHOC3COO2 	 [O]OCC(=O)CC=O 	 InChI=1S/C4H5O4/c5-2-1-4(6)3-8-7/h2H,1,3H2 	 117.0801 
 TM124BCHO 	 O=Cc1ccc(C)c(C)c1 	 InChI=1S/C9H10O/c1-7-3-4-9(6-10)5-8(7)2/h3-6H,1-2H3 	 134.1751 
 HO3C96O2 	 CCCC(O[O])CCC(O)CC 	 InChI=1S/C9H19O3/c1-3-5-9(12-11)7-6-8(10)4-2/h8-10H,3-7H2,1-2H3 	 175.2454 
 HO3C3CO3H 	 CCC(O)C(=O)OO 	 InChI=1S/C4H8O4/c1-2-3(5)4(6)8-7/h3,5,7H,2H2,1H3 	 120.1039 
 C56OH 	 OCC(O)C(C)CO 	 InChI=1S/C5H12O3/c1-4(2-6)5(8)3-7/h4-8H,2-3H2,1H3 	 120.1470 
 DETLOBPROH 	 CCC1=CC2(CC)OOC(C)(C1=O)C2O 	 InChI=1S/C11H16O4/c1-4-7-6-11(5-2)9(13)10(3,8(7)12)14-15-11/h6,9,13H,4-5H2,1-3H3 	 212.2423 
 M2PROPAL2O 	 O=CC(C)(C)[O] 	 InChI=1S/C4H7O2/c1-4(2,6)3-5/h3H,1-2H3 	 87.0972 
 NC4EDCO2H 	 O=CC(=C(CC)C(=O)O)N(=O)=O 	 InChI=1S/C6H7NO5/c1-2-4(6(9)10)5(3-8)7(11)12/h3H,2H2,1H3,(H,9,10) 	 173.1235 
 MBOACO 	 OCC(=O)C(C)(C)O 	 InChI=1S/C5H10O3/c1-5(2,8)4(7)3-6/h6,8H,3H2,1-2H3 	 118.1311 
 C6CYTONO 	 O=C1CC(=O)C([O])C(=O)C1 	 InChI=1S/C6H5O4/c7-3-1-4(8)6(10)5(9)2-3/h6H,1-2H2 	 141.1015 
 BOXCOCHOO2 	 CCCC(OC(=O)C=O)O[O] 	 InChI=1S/C6H9O5/c1-2-3-6(11-9)10-5(8)4-7/h4,6H,2-3H2,1H3 	 161.1327 
 C142O 	 OCCC(=C)C1([O])CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H23O3/c1-10(7-8-15)14(17)9-13(3,4)12(14)6-5-11(2)16/h12,15H,1,5-9H2,2-4H3 	 239.3306 
 MXYQO 	 O=C1C=C(C)C(=O)C(C)([O])C1O 	 InChI=1S/C8H9O4/c1-4-3-5(9)7(11)8(2,12)6(4)10/h3,7,11H,1-2H3 	 169.1547 
 MIBKAOHAO2 	 [O]OC(C(=O)C)C(C)(C)O 	 InChI=1S/C6H11O4/c1-4(7)5(10-9)6(2,3)8/h5,8H,1-3H3 	 147.1491 
 HMVKBCO2H 	 OCC(C(=O)C)C(=O)O 	 InChI=1S/C5H8O4/c1-3(7)4(2-6)5(8)9/h4,6H,2H2,1H3,(H,8,9) 	 132.1146 
 PXYLPAN 	 Cc1ccc(cc1)C(=O)OON(=O)=O 	 InChI=1S/C8H7NO5/c1-6-2-4-7(5-3-6)8(10)13-14-9(11)12/h2-5H,1H3 	 197.1449 
 C51NO32OOH 	 CCCC(OO)CON(=O)=O 	 InChI=1S/C5H11NO5/c1-2-3-5(11-9)4-10-6(7)8/h5,9H,2-4H2,1H3 	 165.1445 
 DIET35TOL 	 CCc1cc(CC)cc(C)c1 	 InChI=1S/C11H16/c1-4-10-6-9(3)7-11(5-2)8-10/h6-8H,4-5H2,1-3H3 	 148.2447 
 C86O2 	 O=CCC(C(=O)C)C(C)(C)O[O] 	 InChI=1S/C8H13O4/c1-6(10)7(4-5-9)8(2,3)12-11/h5,7H,4H2,1-3H3 	 173.1864 
 MBOBCO 	 O=CC(O)C(C)(C)O 	 InChI=1S/C5H10O3/c1-5(2,8)4(7)3-6/h3-4,7-8H,1-2H3 	 118.1311 
 C8CO2OHPAN 	 O=CC(O)C(=O)C(=CC(=O)OON(=O)=O)C(C)C 	 InChI=1S/C9H11NO8/c1-5(2)6(9(14)7(12)4-11)3-8(13)17-18-10(15)16/h3-5,7,12H,1-2H3 	 261.1855 
 CHOC2PAN 	 O=CCCC(=O)OON(=O)=O 	 InChI=1S/C4H5NO6/c6-3-1-2-4(7)10-11-5(8)9/h3H,1-2H2 	 163.0856 
 PBZBPERNO3 	 CCCC12C=CC(ON(=O)=O)C(OO1)C2O 	 InChI=1S/C9H13NO6/c1-2-4-9-5-3-6(14-10(12)13)7(8(9)11)15-16-9/h3,5-8,11H,2,4H2,1H3 	 231.2026 
 DM35EBOH 	 Cc1cc(C)cc(c1)C(C)O 	 InChI=1S/C10H14O/c1-7-4-8(2)6-10(5-7)9(3)11/h4-6,9,11H,1-3H3 	 150.2176 
 C53OH 	 OCC(=O)C(C)CO 	 InChI=1S/C5H10O3/c1-4(2-6)5(8)3-7/h4,6-7H,2-3H2,1H3 	 118.1311 
 HCOCOHCO3H 	 OC(C=O)C(=O)OO 	 InChI=1S/C3H4O5/c4-1-2(5)3(6)8-7/h1-2,5,7H 	 120.0609 
 BOXPOLAOOH 	 CCCC(OO)OCC(C)O 	 InChI=1S/C7H16O4/c1-3-4-7(11-9)10-5-6(2)8/h6-9H,3-5H2,1-2H3 	 164.1995 
 NBUTDBO2 	 [O]OCC=CCON(=O)=O 	 InChI=1S/C4H6NO5/c6-5(7)9-3-1-2-4-10-8/h1-2H,3-4H2 	 148.0941 
 NIPRBQOOH 	 OOC1C(=O)C=C(C(C)C)C(=O)C1ON(=O)=O 	 InChI=1S/C9H11NO7/c1-4(2)5-3-6(11)8(17-15)9(7(5)12)16-10(13)14/h3-4,8-9,15H,1-2H3 	 245.1861 
 C5CO2DCO3H 	 O=CC(=O)C=C(C)C(=O)OO 	 InChI=1S/C6H6O5/c1-4(6(9)11-10)2-5(8)3-7/h2-3,10H,1H3 	 158.1088 
 HO34CO6C8 	 CCC(=O)CC(O)C(O)CC 	 InChI=1S/C8H16O3/c1-3-6(9)5-8(11)7(10)4-2/h7-8,10-11H,3-5H2,1-2H3 	 160.2108 
 OXYMUCCO 	 O=CC(=O)C(O)C1(C)OC1(C)C=O 	 InChI=1S/C8H10O5/c1-7(4-10)8(2,13-7)6(12)5(11)3-9/h3-4,6,12H,1-2H3 	 186.1620 
 NTMB2FUOOH 	 OOC1(C)C(=O)OC(C)C1(C)ON(=O)=O 	 InChI=1S/C7H11NO7/c1-4-6(2,14-8(10)11)7(3,15-12)5(9)13-4/h4,12H,1-3H3 	 221.1647 
 DNOETOLO2 	 CCC12OOC(N(=O)=O)(C2O)C(O)(O[O])C(=C1C)N(=O)=O 	 InChI=1S/C9H11N2O10/c1-3-7-4(2)5(10(14)15)9(13,19-18)8(6(7)12,11(16)17)21-20-7/h6,12-13H,3H2,1-2H3 	 307.1910 
 M3CO5C6 	 CCC(C)CC(=O)C 	 InChI=1S/C7H14O/c1-4-6(2)5-7(3)8/h6H,4-5H2,1-3H3 	 114.1855 
 C9PAN1 	 CCCCCCC(O)CC(=O)OON(=O)=O 	 InChI=1S/C9H17NO6/c1-2-3-4-5-6-8(11)7-9(12)15-16-10(13)14/h8,11H,2-7H2,1H3 	 235.2344 
 HCOCOHPAN 	 O=CC(O)C(=O)OON(=O)=O 	 InChI=1S/C3H3NO7/c5-1-2(6)3(7)10-11-4(8)9/h1-2,6H 	 165.0584 
 C9PAN2 	 O=N(=O)OOC(=O)C1CC(C(=O)C)C1(C)C 	 InChI=1S/C9H13NO6/c1-5(11)6-4-7(9(6,2)3)8(12)15-16-10(13)14/h6-7H,4H2,1-3H3 	 231.2026 
 MXCATEC1O 	 Cc1cc(C)c([O])c(O)c1 	 InChI=1S/C8H9O2/c1-5-3-6(2)8(10)7(9)4-5/h3-4,9H,1-2H3 	 137.1559 
 C6OH5OOH 	 CCCCC(CO)OO 	 InChI=1S/C6H14O3/c1-2-3-4-6(5-7)9-8/h6-8H,2-5H2,1H3 	 134.1736 
 PNNCATECO 	 CCCC12OOC(C(=C(O)C2([O])O)N(=O)=O)C1ON(=O)=O 	 InChI=1S/C9H11N2O10/c1-2-3-8-7(19-11(17)18)5(20-21-8)4(10(15)16)6(12)9(8,13)14/h5,7,12-13H,2-3H2,1H3 	 307.1910 
 OXYEPOXMUC 	 O=CC=CC1(C)OC1(C)C=O 	 InChI=1S/C8H10O3/c1-7(4-3-5-9)8(2,6-10)11-7/h3-6H,1-2H3 	 154.1632 
 DNPBNZLO 	 CCCC12OOC(C=C(N(=O)=O)C2([O])O)(N(=O)=O)C1O 	 InChI=1S/C9H11N2O9/c1-2-3-7-6(12)8(11(17)18,20-19-7)4-5(10(15)16)9(7,13)14/h4,6,12-13H,2-3H2,1H3 	 291.1916 
 BOXCOCOMO2 	 CCCC(O[O])OC(=O)C(=O)C 	 InChI=1S/C7H11O5/c1-3-4-6(12-10)11-7(9)5(2)8/h6H,3-4H2,1-2H3 	 175.1592 
 CYC613DION 	 O=C1CCCC(=O)C1 	 InChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2 	 112.1265 
 TM123MUCO2 	 [O]OC(C(O)C(=O)C)C1OC1(C)C(=O)C 	 InChI=1S/C9H13O6/c1-4(10)6(12)7(15-13)8-9(3,14-8)5(2)11/h6-8,12H,1-3H3 	 217.1959 
 HOCO3C5OOH 	 OCCC(=O)C(C)OO 	 InChI=1S/C5H10O4/c1-4(9-8)5(7)2-3-6/h4,6,8H,2-3H2,1H3 	 134.1305 
 C4CODIAL 	 O=CCC(=O)C=O 	 InChI=1S/C4H4O3/c5-2-1-4(7)3-6/h2-3H,1H2 	 100.0728 
 IC3H7NO3 	 CC(C)ON(=O)=O 	 InChI=1S/C3H7NO3/c1-3(2)7-4(5)6/h3H,1-2H3 	 105.0926 
 NDNMXYLOOH 	 OOC1(O)C(=C(N(=O)=O)C2(OOC1(C)C2ON(=O)=O)N(=O)=O)C 	 InChI=1S/C8H9N3O12/c1-3-4(9(13)14)7(10(15)16)5(20-11(17)18)6(2,22-23-7)8(3,12)21-19/h5,12,19H,1-2H3 	 339.1700 
 INCNCO3H 	 OOC(=O)C(ON(=O)=O)C(C)(O)CON(=O)=O 	 InChI=1S/C5H8N2O10/c1-5(9,2-15-6(10)11)3(4(8)17-14)16-7(12)13/h3,9,14H,2H2,1H3 	 256.1244 
 C7MCO3OHO 	 O=CC(=O)C(O)C([O])C(=O)C(C)C 	 InChI=1S/C8H11O5/c1-4(2)6(11)8(13)7(12)5(10)3-9/h3-4,7-8,12H,1-2H3 	 187.1699 
 T123CTCOOA 	 [O-][O+]=C(O)C(=C(C)C(=CC(=O)O)C)C 	 InChI=1S/C9H12O5/c1-5(4-8(10)11)6(2)7(3)9(12)14-13/h4,12H,1-3H3,(H,10,11) 	 200.1886 
 TM123MUCOH 	 OC(C(=O)C)C(O)C1OC1(C)C(=O)C 	 InChI=1S/C9H14O5/c1-4(10)6(12)7(13)8-9(3,14-8)5(2)11/h6-8,12-13H,1-3H3 	 202.2045 
 C5NO3O4OOH 	 OOC(C)C(=O)C(C)ON(=O)=O 	 InChI=1S/C5H9NO6/c1-3(11-6(8)9)5(7)4(2)12-10/h3-4,10H,1-2H3 	 179.1281 
 BCSOZO 	 OCC1([O])CCC2OOC(C)(CCC3C1CC3(C)C)O2 	 InChI=1S/C15H25O5/c1-13(2)8-11-10(13)4-6-14(3)18-12(19-20-14)5-7-15(11,17)9-16/h10-12,16H,4-9H2,1-3H3 	 285.3560 
 H2C3OCOOH 	 OOCOCC(C)O 	 InChI=1S/C4H10O4/c1-4(5)2-7-3-8-6/h4-6H,2-3H2,1H3 	 122.1198 
 HEX3ONCO 	 CCCC(=O)C(C)[O] 	 InChI=1S/C6H11O2/c1-3-4-6(8)5(2)7/h5H,3-4H2,1-2H3 	 115.1503 
 C615O 	 O=CC([O])C(C)(C)C=O 	 InChI=1S/C6H9O3/c1-6(2,4-8)5(9)3-7/h3-5H,1-2H3 	 129.1339 
 CO356C10 	 CCCCC(=O)C(=O)CC(=O)CC 	 InChI=1S/C10H16O3/c1-3-5-6-9(12)10(13)7-8(11)4-2/h3-7H2,1-2H3 	 184.2322 
 CO356C11 	 CCCCCC(=O)C(=O)CC(=O)CC 	 InChI=1S/C11H18O3/c1-3-5-6-7-10(13)11(14)8-9(12)4-2/h3-8H2,1-2H3 	 198.2588 
 CO356C12 	 CCCCCCC(=O)C(=O)CC(=O)CC 	 InChI=1S/C12H20O3/c1-3-5-6-7-8-11(14)12(15)9-10(13)4-2/h3-9H2,1-2H3 	 212.2854 
 TDICLETH 	 Cl/C=C/Cl 	 InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+ 	 96.9433 
 MC6OTRIKET 	 CC(OC(=O)C(=O)C)C(=O)C 	 InChI=1S/C7H10O4/c1-4(8)6(3)11-7(10)5(2)9/h6H,1-3H3 	 158.1519 
 CHOMOHPAN 	 O=CC(C)(O)C(=O)OON(=O)=O 	 InChI=1S/C4H5NO7/c1-4(8,2-6)3(7)11-12-5(9)10/h2,8H,1H3 	 179.0850 
 CLCOCCL2O2 	 [O]OC(Cl)(Cl)C(=O)Cl 	 InChI=1S/C2Cl3O3/c3-1(6)2(4,5)8-7 	 178.3786 
 EGLYOOD 	 [O-][O+]=CC(=O)CC 	 InChI=1S/C4H6O3/c1-2-4(5)3-7-6/h3H,2H2,1H3 	 102.0886 
 BCALCOOH 	 OOC(C=O)CC(=C)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C15H24O4/c1-10(7-12(9-16)19-18)13-8-15(3,4)14(13)6-5-11(2)17/h9,12-14,18H,1,5-8H2,2-4H3 	 268.3487 
 C6NO3CO5O 	 CC([O])CC(=O)C(C)ON(=O)=O 	 InChI=1S/C6H10NO5/c1-4(8)3-6(9)5(2)12-7(10)11/h4-5H,3H2,1-2H3 	 176.1473 
 METLMUCO2H 	 CC1(OC1C=CC(=O)CC)C(=O)O 	 InChI=1S/C9H12O4/c1-3-6(10)4-5-7-9(2,13-7)8(11)12/h4-5,7H,3H2,1-2H3,(H,11,12) 	 184.1892 
 BCALBO2 	 O=CCCC(=C)C1CC(C)(C)C1CCC(=O)CO[O] 	 InChI=1S/C15H23O4/c1-11(5-4-8-16)13-9-15(2,3)14(13)7-6-12(17)10-19-18/h8,13-14H,1,4-7,9-10H2,2-3H3 	 267.3407 
 HOCO3C4OOH 	 OCCC(=O)COO 	 InChI=1S/C4H8O4/c5-2-1-4(6)3-8-7/h5,7H,1-3H2 	 120.1039 
 C92O 	 CCCCC(O)CC(=O)C(C)[O] 	 InChI=1S/C9H17O3/c1-3-4-5-8(11)6-9(12)7(2)10/h7-8,11H,3-6H2,1-2H3 	 173.2295 
 C7CO2OCO3H 	 OOC(=O)C(=CC(=O)C(O)C(=O)C)C 	 InChI=1S/C8H10O6/c1-4(8(12)14-13)3-6(10)7(11)5(2)9/h3,7,11,13H,1-2H3 	 202.1614 
 C4M2ALOHNO3 	 O=CC(O)C(C)(C=O)ON(=O)=O 	 InChI=1S/C5H7NO6/c1-5(3-8,4(9)2-7)12-6(10)11/h2-4,9H,1H3 	 177.1122 
 C732PAN 	 OC(=O)CCC(CC(=O)OO[N+](=O)[O-])C(=O)C 	 InChI=1S/C8H11NO8/c1-5(10)6(2-3-7(11)12)4-8(13)16-17-9(14)15/h6H,2-4H2,1H3,(H,11,12) 	 249.1748 
 CO2C4GLYOX 	 O=CC(=O)CCC(=O)C 	 InChI=1S/C6H8O3/c1-5(8)2-3-6(9)4-7/h4H,2-3H2,1H3 	 128.1259 
 DIEK 	 CCC(=O)CC 	 InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3 	 86.1323 
 BCALBOH 	 O=CCCC(=C)C1CC(C)(C)C1CCC(=O)CO 	 InChI=1S/C15H24O3/c1-11(5-4-8-16)13-9-15(2,3)14(13)7-6-12(18)10-17/h8,13-14,17H,1,4-7,9-10H2,2-3H3 	 252.3493 
 ETBECOOH 	 OOCCOC(C)(C)C 	 InChI=1S/C6H14O3/c1-6(2,3)8-4-5-9-7/h7H,4-5H2,1-3H3 	 134.1736 
 BCALBOC 	 O=CCCC(=C)C1CC(C)(C)C1CCC(=O)OC 	 InChI=1S/C15H24O3/c1-11(6-5-9-16)12-10-15(2,3)13(12)7-8-14(17)18-4/h9,12-13H,1,5-8,10H2,2-4H3 	 252.3493 
 TM135BP2OH 	 CC1=CC2(C)OOC(C)(C1O)C2O 	 InChI=1S/C9H14O4/c1-5-4-8(2)7(11)9(3,6(5)10)13-12-8/h4,6-7,10-11H,1-3H3 	 186.2051 
 MXYOHNO2O 	 O=N(=O)C12OOC(C)(C=C(C)C2([O])O)C1O 	 InChI=1S/C8H10NO7/c1-4-3-6(2)5(10)7(9(13)14,16-15-6)8(4,11)12/h3,5,10-11H,1-2H3 	 232.1675 
 INANCO3 	 [O]OC(=O)C(C)(ON(=O)=O)C(O)CON(=O)=O 	 InChI=1S/C5H7N2O10/c1-5(4(9)16-14,17-7(12)13)3(8)2-15-6(10)11/h3,8H,2H2,1H3 	 255.1165 
 C106OH 	 O=CCC(=O)CC(C(=O)C)C(C)(C)O 	 InChI=1S/C10H16O4/c1-7(12)9(10(2,3)14)6-8(13)4-5-11/h5,9,14H,4,6H2,1-3H3 	 200.2316 
 C813O2 	 OCC(CC(=O)C(=O)O)C(C)(C)O[O] 	 InChI=1S/C8H13O6/c1-8(2,14-13)5(4-9)3-6(10)7(11)12/h5,9H,3-4H2,1-2H3,(H,11,12) 	 205.1852 
 MXYMUCCO 	 O=CC1(C)OC1C(O)C(=O)C(=O)C 	 InChI=1S/C8H10O5/c1-4(10)5(11)6(12)7-8(2,3-9)13-7/h3,6-7,12H,1-2H3 	 186.1620 
 CO25C73O 	 CCC(=O)CC([O])C(=O)C 	 InChI=1S/C7H11O3/c1-3-6(9)4-7(10)5(2)8/h7H,3-4H2,1-2H3 	 143.1604 
 HM2C43CO3 	 OCC(C)C(C)C(=O)O[O] 	 InChI=1S/C6H11O4/c1-4(3-7)5(2)6(8)10-9/h4-5,7H,3H2,1-2H3 	 147.1491 
 C126CO3 	 O=CCC1C(CC1(C)C)C(=C)CCC(=O)O[O] 	 InChI=1S/C13H19O4/c1-9(4-5-12(15)17-16)10-8-13(2,3)11(10)6-7-14/h7,10-11H,1,4-6,8H2,2-3H3 	 239.2876 
 EIPK 	 CCC(=O)C(C)C 	 InChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3 	 100.1589 
 MACR 	 CC(=C)C=O 	 InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3 	 70.0898 
 PRCATC1OOH 	 CCCc1cccc(O)c1OO 	 InChI=1S/C9H12O3/c1-2-4-7-5-3-6-8(10)9(7)12-11/h3,5-6,10-11H,2,4H2,1H3 	 168.1898 
 MACRNCO3H 	 OOC(=O)C(C)(CO)ON(=O)=O 	 InChI=1S/C4H7NO7/c1-4(2-6,3(7)11-10)12-5(8)9/h6,10H,2H2,1H3 	 181.1009 
 CCL3CH2OOH 	 OOCC(Cl)(Cl)Cl 	 InChI=1S/C2H3Cl3O2/c3-2(4,5)1-7-6/h6H,1H2 	 165.4030 
 NC2OOA 	 [O-][O+]=CCON(=O)=O 	 InChI=1S/C2H3NO5/c4-3(5)7-1-2-8-6/h2H,1H2 	 121.0489 
 IBUTOL 	 OCC(C)C 	 InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 	 74.1216 
 NBUACETBO 	 CCC([O])COC(=O)C 	 InChI=1S/C6H11O3/c1-3-6(8)4-9-5(2)7/h6H,3-4H2,1-2H3 	 131.1497 
 BCOOA 	 O=CCCC(=C)C1CC(C)(C)C1CCC(=[O+][O-])C 	 InChI=1S/C15H24O3/c1-11(6-5-9-16)13-10-15(3,4)14(13)8-7-12(2)18-17/h9,13-14H,1,5-8,10H2,2-4H3 	 252.3493 
 BCOOB 	 [O-][O+]=CCCC(=C)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C15H24O3/c1-11(6-5-9-18-17)13-10-15(3,4)14(13)8-7-12(2)16/h9,13-14H,1,5-8,10H2,2-4H3 	 252.3493 
 C106O2 	 O=CCC(=O)CC(C(=O)C)C(C)(C)O[O] 	 InChI=1S/C10H15O5/c1-7(12)9(10(2,3)15-14)6-8(13)4-5-11/h5,9H,4,6H2,1-3H3 	 215.2231 
 CO3C4NO3 	 CCC(=O)CON(=O)=O 	 InChI=1S/C4H7NO4/c1-2-4(6)3-9-5(7)8/h2-3H2,1H3 	 133.1027 
 CH3CHCLOH 	 CC(O)Cl 	 InChI=1S/C2H5ClO/c1-2(3)4/h2,4H,1H3 	 80.5135 
 C617OOH 	 OOCC(=O)C(C)(C)C=O 	 InChI=1S/C6H10O4/c1-6(2,4-7)5(8)3-10-9/h4,9H,3H2,1-2H3 	 146.1412 
 CLCOCLMEO2 	 CC(Cl)(O[O])C(=O)Cl 	 InChI=1S/C3H3Cl2O3/c1-3(5,8-7)2(4)6/h1H3 	 157.9601 
 HO1MC5OOH 	 OCC(C)CC(C)OO 	 InChI=1S/C6H14O3/c1-5(4-7)3-6(2)9-8/h5-8H,3-4H2,1-2H3 	 134.1736 
 HO13C4O 	 OCCC(O)C[O] 	 InChI=1S/C4H9O3/c5-2-1-4(7)3-6/h4-5,7H,1-3H2 	 105.1125 
 MO2EOLBO2 	 OCCOCO[O] 	 InChI=1S/C3H7O4/c4-1-2-6-3-7-5/h4H,1-3H2 	 107.0853 
 IPROPOL 	 CC(C)O 	 InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3 	 60.0950 
 C715CO2O 	 O=CC([O])C=CC(=O)CC 	 InChI=1S/C7H9O3/c1-2-6(9)3-4-7(10)5-8/h3-5,7H,2H2,1H3 	 141.1446 
 MET1OOH 	 CCc1cc(C)ccc1OO 	 InChI=1S/C9H12O2/c1-3-8-6-7(2)4-5-9(8)11-10/h4-6,10H,3H2,1-2H3 	 152.1904 
 M2BUOL2O 	 CCC(C)([O])CO 	 InChI=1S/C5H11O2/c1-3-5(2,7)4-6/h6H,3-4H2,1-2H3 	 103.1396 
 MEKAOOH 	 OOCCC(=O)C 	 InChI=1S/C4H8O3/c1-4(5)2-3-7-6/h6H,2-3H2,1H3 	 104.1045 
 C1010NO3 	 O=CCCC(=C)C(=O)CC(C)(C)O[N+](=O)[O-] 	 InChI=1S/C10H15NO5/c1-8(5-4-6-12)9(13)7-10(2,3)16-11(14)15/h6H,1,4-5,7H2,2-3H3 	 229.2298 
 NOPINANO3 	 O=N(=O)OC1CC(=O)C2CC1C2(C)C 	 InChI=1S/C9H13NO4/c1-9(2)5-3-6(9)8(4-7(5)11)14-10(12)13/h5-6,8H,3-4H2,1-2H3 	 199.2038 
 C1012NO3 	 O=CCC(C)(C)C(CCC(=O)C)O[N+](=O)[O-] 	 InChI=1S/C10H17NO5/c1-8(13)4-5-9(16-11(14)15)10(2,3)6-7-12/h7,9H,4-6H2,1-3H3 	 231.2457 
 HO3C76O 	 CCC(O)CCC(C)[O] 	 InChI=1S/C7H15O2/c1-3-7(9)5-4-6(2)8/h6-7,9H,3-5H2,1-2H3 	 131.1928 
 HOEMPHNO2 	 CCc1cc(C)c(N(=O)=O)c(O)c1 	 InChI=1S/C9H11NO3/c1-3-7-4-6(2)9(10(12)13)8(11)5-7/h4-5,11H,3H2,1-2H3 	 181.1885 
 DNCRESOOH 	 OOC1(O)C(=CC2(OOC1(C)C2O)N(=O)=O)N(=O)=O 	 InChI=1S/C7H8N2O10/c1-5-4(10)6(9(14)15,19-18-5)2-3(8(12)13)7(5,11)17-16/h2,4,10-11,16H,1H3 	 280.1458 
 APINBOOH 	 OOC1CC2CC(C1(C)O)C2(C)C 	 InChI=1S/C10H18O3/c1-9(2)6-4-7(9)10(3,11)8(5-6)13-12/h6-8,11-12H,4-5H2,1-3H3 	 186.2481 
 C133OOH 	 OCCC(=O)C(=O)CC(C)(C)C(OO)CCC(=O)C 	 InChI=1S/C13H22O6/c1-9(15)4-5-12(19-18)13(2,3)8-11(17)10(16)6-7-14/h12,14,18H,4-8H2,1-3H3 	 274.3102 
 OETLMUCNO3 	 O=CC(ON(=O)=O)C(O)C1(C)OC1(CC)C=O 	 InChI=1S/C9H13NO7/c1-3-9(5-12)8(2,17-9)7(13)6(4-11)16-10(14)15/h4-7,13H,3H2,1-2H3 	 247.2020 
 C42CO3H 	 OCC(C)C(O)C(=O)OO 	 InChI=1S/C5H10O5/c1-3(2-6)4(7)5(8)10-9/h3-4,6-7,9H,2H2,1H3 	 150.1299 
 C2OHOCOOH 	 OCC(O)C(=O)OO 	 InChI=1S/C3H6O5/c4-1-2(5)3(6)8-7/h2,4-5,7H,1H2 	 122.0767 
 TMBPAN 	 O=N(=O)OOC(=O)c1cc(C)cc(C)c1 	 InChI=1S/C9H9NO5/c1-6-3-7(2)5-8(4-6)9(11)14-15-10(12)13/h3-5H,1-2H3 	 211.1715 
 C58NO3 	 O=CC(O)C(C)(CO)ON(=O)=O 	 InChI=1S/C5H9NO6/c1-5(3-8,4(9)2-7)12-6(10)11/h2,4,8-9H,3H2,1H3 	 179.1281 
 BCALOOH 	 O=CCCC(CO)(OO)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C15H26O5/c1-11(18)5-6-12-13(9-14(12,2)3)15(10-17,20-19)7-4-8-16/h8,12-13,17,19H,4-7,9-10H2,1-3H3 	 286.3639 
 BUT2CO2H 	 CC(CC)C(=O)O 	 InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7) 	 102.1317 
 BCALOOA 	 O=CCCC(=[O+][O-])C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H22O4/c1-10(16)6-7-12-11(9-14(12,2)3)13(18-17)5-4-8-15/h8,11-12H,4-7,9H2,1-3H3 	 254.3221 
 C1010O2 	 O=CCCC(=C)C(=O)CC(C)(C)O[O] 	 InChI=1S/C10H15O4/c1-8(5-4-6-11)9(12)7-10(2,3)14-13/h6H,1,4-5,7H2,2-3H3 	 199.2237 
 C126PAN 	 O=CCC1C(CC1(C)C)C(=C)CCC(=O)OO[N+](=O)[O-] 	 InChI=1S/C13H19NO6/c1-9(4-5-12(16)19-20-14(17)18)10-8-13(2,3)11(10)6-7-15/h7,10-11H,1,4-6,8H2,2-3H3 	 285.2931 
 C810OOH 	 O=CCC(CC=O)C(C)(C)OO 	 InChI=1S/C8H14O4/c1-8(2,12-11)7(3-5-9)4-6-10/h5-7,11H,3-4H2,1-2H3 	 174.1944 
 C622OH 	 OCC(CO)C(=C)C 	 InChI=1S/C6H12O2/c1-5(2)6(3-7)4-8/h6-8H,1,3-4H2,2H3 	 116.1583 
 C6COCHOPAN 	 O=CCCC(=O)CC(=O)OON(=O)=O 	 InChI=1S/C6H7NO7/c8-3-1-2-5(9)4-6(10)13-14-7(11)12/h3H,1-2,4H2 	 205.1223 
 CONM2CO3H 	 OOC(=O)C(C)(C=O)ON(=O)=O 	 InChI=1S/C4H5NO7/c1-4(2-6,3(7)11-10)12-5(8)9/h2,10H,1H3 	 179.0850 
 NC4H9CHOOA 	 [O-][O+]=CCCCC 	 InChI=1S/C5H10O2/c1-2-3-4-5-7-6/h5H,2-4H2,1H3 	 102.1317 
 C3COCCO3H 	 CCCC(=O)CC(=O)OO 	 InChI=1S/C6H10O4/c1-2-3-5(7)4-6(8)10-9/h9H,2-4H2,1H3 	 146.1412 
 HOCH2CHO 	 OCC=O 	 InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2 	 60.0520 
 C1010OH 	 O=CCCC(=C)C(=O)CC(C)(C)O 	 InChI=1S/C10H16O3/c1-8(5-4-6-11)9(12)7-10(2,3)13/h6,13H,1,4-5,7H2,2-3H3 	 184.2322 
 IEB1O2 	 OCC(O)C(C)(O[O])C=O 	 InChI=1S/C5H9O5/c1-5(3-7,10-9)4(8)2-6/h3-4,6,8H,2H2,1H3 	 149.1220 
 HO24C5O2 	 [O]OCC(O)CC(C)O 	 InChI=1S/C5H11O4/c1-4(6)2-5(7)3-9-8/h4-7H,2-3H2,1H3 	 135.1384 
 C1H4C5CO2H 	 O=CCCC(O)CC(=O)O 	 InChI=1S/C6H10O4/c7-3-1-2-5(8)4-6(9)10/h3,5,8H,1-2,4H2,(H,9,10) 	 146.1412 
 ETHACETO2 	 CC(OC(=O)C)O[O] 	 InChI=1S/C4H7O4/c1-3(5)7-4(2)8-6/h4H,1-2H3 	 119.0960 
 IEPOXC 	 CC1(CO1)C(O)CO 	 InChI=1S/C5H10O3/c1-5(3-8-5)4(7)2-6/h4,6-7H,2-3H2,1H3 	 118.1311 
 IEPOXB 	 OCC1OC1(C)CO 	 InChI=1S/C5H10O3/c1-5(3-7)4(2-6)8-5/h4,6-7H,2-3H2,1H3 	 118.1311 
 IEPOXA 	 CC(O)(CO)C1CO1 	 InChI=1S/C5H10O3/c1-5(7,3-6)4-2-8-4/h4,6-7H,2-3H2,1H3 	 118.1311 
 APINCOOH 	 OOC(C)(C)C1CC=C(C)C(O)C1 	 InChI=1S/C10H18O3/c1-7-4-5-8(6-9(7)11)10(2,3)13-12/h4,8-9,11-12H,5-6H2,1-3H3 	 186.2481 
 IPRACOOH 	 OOC(C)(C)OC(=O)C 	 InChI=1S/C5H10O4/c1-4(6)8-5(2,3)9-7/h7H,1-3H3 	 134.1305 
 CO2N3CO3 	 [O]OC(=O)C(ON(=O)=O)C(=O)C 	 InChI=1S/C4H4NO7/c1-2(6)3(4(7)12-10)11-5(8)9/h3H,1H3 	 178.0771 
 C713OH 	 CC(=O)CC(C)(O)C(=O)C 	 InChI=1S/C7H12O3/c1-5(8)4-7(3,10)6(2)9/h10H,4H2,1-3H3 	 144.1684 
 C512OH 	 OCCC(=O)CC=O 	 InChI=1S/C5H8O3/c6-3-1-5(8)2-4-7/h3,7H,1-2,4H2 	 116.1152 
 C7M15CO2O 	 O=CC([O])C=CC(=O)C(C)C 	 InChI=1S/C8H11O3/c1-6(2)8(11)4-3-7(10)5-9/h3-7H,1-2H3 	 155.1711 
 IPRACBPAN 	 O=N(=O)OOC(=O)C(C)OC(=O)C 	 InChI=1S/C5H7NO7/c1-3(11-4(2)7)5(8)12-13-6(9)10/h3H,1-2H3 	 193.1116 
 MACO2H 	 CC(=C)C(=O)O 	 InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6) 	 86.0892 
 C122O 	 CCCCCCCC(O)CC(=O)C(C)[O] 	 InChI=1S/C12H23O3/c1-3-4-5-6-7-8-11(14)9-12(15)10(2)13/h10-11,14H,3-9H2,1-2H3 	 215.3092 
 NC91CO3 	 [O]OC(=O)C1(CCC2CC1C2(C)C)ON(=O)=O 	 InChI=1S/C10H14NO6/c1-9(2)6-3-4-10(7(9)5-6,8(12)16-15)17-11(13)14/h6-7H,3-5H2,1-2H3 	 244.2213 
 M2PEBO 	 CC(C)CC(C)[O] 	 InChI=1S/C6H13O/c1-5(2)4-6(3)7/h5-6H,4H2,1-3H3 	 101.1668 
 CO123C5CHO 	 O=CCCC(=O)C(=O)C=O 	 InChI=1S/C6H6O4/c7-3-1-2-5(9)6(10)4-8/h3-4H,1-2H2 	 142.1094 
 C730O 	 OCCC(C=O)C(C)([O])CO 	 InChI=1S/C7H13O4/c1-7(11,5-10)6(4-9)2-3-8/h4,6,8,10H,2-3,5H2,1H3 	 161.1757 
 HO2C4CO2H 	 CC(O)CCC(=O)O 	 InChI=1S/C5H10O3/c1-4(6)2-3-5(7)8/h4,6H,2-3H2,1H3,(H,7,8) 	 118.1311 
 TMB1FUOOH 	 OOC1(C)C(C)OC(=O)C1O 	 InChI=1S/C6H10O5/c1-3-6(2,11-9)4(7)5(8)10-3/h3-4,7,9H,1-2H3 	 162.1406 
 IPRCHOO 	 [O-][O+]CC(C)C 	 InChI=1S/C4H9O2/c1-4(2)3-6-5/h4H,3H2,1-2H3 	 89.1131 
 C512CO2H 	 O=CCC(=O)CCC(=O)O 	 InChI=1S/C6H8O4/c7-4-3-5(8)1-2-6(9)10/h4H,1-3H2,(H,9,10) 	 144.1253 
 CH2OHCL2O2 	 OCC(Cl)(Cl)O[O] 	 InChI=1S/C2H3Cl2O3/c3-2(4,1-5)7-6/h5H,1H2 	 145.9494 
 CO23C54O 	 CC([O])C(=O)C(=O)C 	 InChI=1S/C5H7O3/c1-3(6)5(8)4(2)7/h3H,1-2H3 	 115.1073 
 HM2C43NO3 	 OCC(C)C(C)ON(=O)=O 	 InChI=1S/C5H11NO4/c1-4(3-7)5(2)10-6(8)9/h4-5,7H,3H2,1-2H3 	 149.1451 
 INB1NACHO 	 O=CC(ON(=O)=O)C(C)(CO)ON(=O)=O 	 InChI=1S/C5H8N2O8/c1-5(3-9,15-7(12)13)4(2-8)14-6(10)11/h2,4,9H,3H2,1H3 	 224.1256 
 M33C4O 	 CCC(C)(C)C[O] 	 InChI=1S/C6H13O/c1-4-6(2,3)5-7/h4-5H2,1-3H3 	 101.1668 
 ETHACETOH 	 CC(O)OC(=O)C 	 InChI=1S/C4H8O3/c1-3(5)7-4(2)6/h3,5H,1-2H3 	 104.1045 
 PRCOOETOH 	 CCCC(=O)OCCO 	 InChI=1S/C6H12O3/c1-2-3-6(8)9-5-4-7/h7H,2-5H2,1H3 	 132.1577 
 ISOPANO3 	 OCC(=CCON(=O)=O)C 	 InChI=1S/C5H9NO4/c1-5(4-7)2-3-10-6(8)9/h2,7H,3-4H2,1H3 	 147.1293 
 PBZQO2 	 [O]OC1C(=O)C=CC(=O)C1O 	 InChI=1S/C6H5O5/c7-3-1-2-4(8)6(11-10)5(3)9/h1-2,5-6,9H 	 157.1009 
 BOXPROLAO 	 CCCC([O])OCC(C)O 	 InChI=1S/C7H15O3/c1-3-4-7(9)10-5-6(2)8/h6-8H,3-5H2,1-2H3 	 147.1922 
 EPXDLPAN 	 O=CC1OC1C(=O)OON(=O)=O 	 InChI=1S/C4H3NO7/c6-1-2-3(10-2)4(7)11-12-5(8)9/h1-3H 	 177.0691 
 C921O 	 OCC(=O)C1([O])CC(CO)C1(C)C 	 InChI=1S/C9H15O4/c1-8(2)6(4-10)3-9(8,13)7(12)5-11/h6,10-11H,3-5H2,1-2H3 	 187.2130 
 PBNZOHNO2 	 CCCc1cccc(N(=O)=O)c1O 	 InChI=1S/C9H11NO3/c1-2-4-7-5-3-6-8(9(7)11)10(12)13/h3,5-6,11H,2,4H2,1H3 	 181.1885 
 C23O3MCOOH 	 CC(OC(=O)C(=O)C)OO 	 InChI=1S/C5H8O5/c1-3(6)5(7)9-4(2)10-8/h4,8H,1-2H3 	 148.1140 
 C923PAN 	 CC(=O)CCC(CC(=O)OO[N+](=O)[O-])C(=C)C 	 InChI=1S/C10H15NO6/c1-7(2)9(5-4-8(3)12)6-10(13)16-17-11(14)15/h9H,1,4-6H2,2-3H3 	 245.2292 
 C64OH5O 	 CCCC(O)C(C)[O] 	 InChI=1S/C6H13O2/c1-3-4-6(8)5(2)7/h5-6,8H,3-4H2,1-2H3 	 117.1662 
 C88CO2H 	 OC(=O)C1C(=O)CCC(=O)C1(C)C 	 InChI=1S/C9H12O4/c1-9(2)6(11)4-3-5(10)7(9)8(12)13/h7H,3-4H2,1-2H3,(H,12,13) 	 184.1892 
 CCL3CO3 	 [O]OC(=O)C(Cl)(Cl)Cl 	 InChI=1S/C2Cl3O3/c3-2(4,5)1(6)8-7 	 178.3786 
 C6OTRIKET 	 CC(=O)COC(=O)C(=O)C 	 InChI=1S/C6H8O4/c1-4(7)3-10-6(9)5(2)8/h3H2,1-2H3 	 144.1253 
 C928CO3 	 [O]OC(=O)CC(C)(C)C(=O)CCC(=O)C 	 InChI=1S/C10H15O5/c1-7(11)4-5-8(12)10(2,3)6-9(13)15-14/h4-6H2,1-3H3 	 215.2231 
 HO3C86O 	 CCC(O)CCC([O])CC 	 InChI=1S/C8H17O2/c1-3-7(9)5-6-8(10)4-2/h7-9H,3-6H2,1-2H3 	 145.2194 
 HM33C3CO2H 	 OCCC(C)(C)C(=O)O 	 InChI=1S/C6H12O3/c1-6(2,3-4-7)5(8)9/h7H,3-4H2,1-2H3,(H,8,9) 	 132.1577 
 HO1C6O 	 OCCCC([O])CC 	 InChI=1S/C6H13O2/c1-2-6(8)4-3-5-7/h6-7H,2-5H2,1H3 	 117.1662 
 NOXYOL1OOH 	 OOc1c(ccc(C)c1C)N(=O)=O 	 InChI=1S/C8H9NO4/c1-5-3-4-7(9(10)11)8(13-12)6(5)2/h3-4,12H,1-2H3 	 183.1614 
 NPTLQO2 	 [O]OC1C(=O)C=C(C)C(=O)C1ON(=O)=O 	 InChI=1S/C7H6NO7/c1-3-2-4(9)6(15-13)7(5(3)10)14-8(11)12/h2,6-7H,1H3 	 216.1250 
 NC4H9CHOO 	 [O-][O+]=CCCCC 	 InChI=1S/C5H10O2/c1-2-3-4-5-7-6/h5H,2-4H2,1H3 	 102.1317 
 NDEMPHOLO 	 CCC12OOC(CC)(C2ON(=O)=O)C(O)([O])C(=C1)C 	 InChI=1S/C11H16NO7/c1-4-9-6-7(3)11(13,14)10(5-2,19-18-9)8(9)17-12(15)16/h6,8,13H,4-5H2,1-3H3 	 274.2472 
 OXYBIPERO2 	 [O]OC1(C)C=CC2OOC1(C)C2O 	 InChI=1S/C8H11O5/c1-7(12-10)4-3-5-6(9)8(7,2)13-11-5/h3-6,9H,1-2H3 	 187.1699 
 NPXYOLOOH 	 OOC1(O)C=C(C)C2OOC1(C)C2ON(=O)=O 	 InChI=1S/C8H11NO8/c1-4-3-8(10,16-13)7(2)6(14-9(11)12)5(4)15-17-7/h3,5-6,10,13H,1-2H3 	 249.1748 
 PHCOOH 	 OC(=O)c1ccccc1 	 InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) 	 122.1213 
 C112OOH 	 CCCCCCC(O)CC(=O)C(C)OO 	 InChI=1S/C11H22O4/c1-3-4-5-6-7-10(12)8-11(13)9(2)15-14/h9-10,12,14H,3-8H2,1-2H3 	 218.2900 
 C5NO3COAO2 	 [O]OC(C)CC(=O)CON(=O)=O 	 InChI=1S/C5H8NO6/c1-4(12-10)2-5(7)3-11-6(8)9/h4H,2-3H2,1H3 	 178.1201 
 THEX2ENE 	 CCC\C=C\C 	 InChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+ 	 84.1595 
 C6DCARBBO 	 CCC(=O)C=CC(=O)[O] 	 InChI=1S/C6H7O3/c1-2-5(7)3-4-6(8)9/h3-4H,2H2,1H3 	 127.1180 
 H1C23C4PAN 	 OCC(=O)C(=O)CC(=O)OON(=O)=O 	 InChI=1S/C5H5NO8/c7-2-4(9)3(8)1-5(10)13-14-6(11)12/h7H,1-2H2 	 207.0951 
 NBUACBNO3 	 CCC(COC(=O)C)ON(=O)=O 	 InChI=1S/C6H11NO5/c1-3-6(12-7(9)10)4-11-5(2)8/h6H,3-4H2,1-2H3 	 177.1552 
 IBUTALOH 	 O=CC(C)(C)O 	 InChI=1S/C4H8O2/c1-4(2,6)3-5/h3,6H,1-2H3 	 88.1051 
 IPBZMUCPAN 	 O=N(=O)OOC(=O)C1OC1C=CC(=O)C(C)C 	 InChI=1S/C9H11NO7/c1-5(2)6(11)3-4-7-8(15-7)9(12)16-17-10(13)14/h3-5,7-8H,1-2H3 	 245.1861 
 CH3CO3H 	 CC(=O)OO 	 InChI=1S/C2H4O3/c1-2(3)5-4/h4H,1H3 	 76.0514 
 PBZQOH 	 O=C1C=CC(=O)C(O)C1O 	 InChI=1S/C6H6O4/c7-3-1-2-4(8)6(10)5(3)9/h1-2,5-6,9-10H 	 142.1094 
 INANO3 	 OCC(C)(ON(=O)=O)C(O)CON(=O)=O 	 InChI=1S/C5H10N2O8/c1-5(3-8,15-7(12)13)4(9)2-14-6(10)11/h4,8-9H,2-3H2,1H3 	 226.1415 
 C610OH 	 OCC(O)C(C)C(=O)C 	 InChI=1S/C6H12O3/c1-4(5(2)8)6(9)3-7/h4,6-7,9H,3H2,1-2H3 	 132.1577 
 M23C43O 	 CC(C)C(C)(C)[O] 	 InChI=1S/C6H13O/c1-5(2)6(3,4)7/h5H,1-4H3 	 101.1668 
 DMEBMUCO3 	 CCC(=O)C=C(C)C1OC1(C)C(=O)O[O] 	 InChI=1S/C10H13O5/c1-4-7(11)5-6(2)8-10(3,14-8)9(12)15-13/h5,8H,4H2,1-3H3 	 213.2072 
 DMEBMUCO2 	 CCC(=O)C(O)C(C)(O[O])C1OC1(C)C=O 	 InChI=1S/C10H15O6/c1-4-6(12)7(13)10(3,16-14)8-9(2,5-11)15-8/h5,7-8,13H,4H2,1-3H3 	 231.2225 
 APINBOO 	 [O-][O+]=CCC1CC(C(=O)C)C1(C)C 	 InChI=1S/C10H16O3/c1-7(11)9-6-8(4-5-13-12)10(9,2)3/h5,8-9H,4,6H2,1-3H3 	 184.2322 
 M2BU2OLOOH 	 OOC(C)C(C)(C)O 	 InChI=1S/C5H12O3/c1-4(8-7)5(2,3)6/h4,6-7H,1-3H3 	 120.1470 
 CO235C6O2 	 CC(=O)C(=O)CC(=O)CO[O] 	 InChI=1S/C6H7O5/c1-4(7)6(9)2-5(8)3-11-10/h2-3H2,1H3 	 159.1168 
 ETOLOOH 	 OOC(C)c1ccccc1C 	 InChI=1S/C9H12O2/c1-7-5-3-4-6-9(7)8(2)11-10/h3-6,8,10H,1-2H3 	 152.1904 
 IPBENZO 	 CC(C)c1ccccc1[O] 	 InChI=1S/C9H11O/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3 	 135.1830 
 NDNEBZLOOH 	 OOC1(O)C(=CC2(OOC1(CC)C2ON(=O)=O)N(=O)=O)N(=O)=O 	 InChI=1S/C8H9N3O12/c1-2-6-5(20-11(17)18)7(10(15)16,23-22-6)3-4(9(13)14)8(6,12)21-19/h3,5,12,19H,2H2,1H3 	 339.1700 
 TM135OBPOH 	 CC1=CC2(C)OOC(C)(C1=O)C2O 	 InChI=1S/C9H12O4/c1-5-4-8(2)7(11)9(3,6(5)10)13-12-8/h4,7,11H,1-3H3 	 184.1892 
 M2HEXBOOH 	 CCCCC(C)(C)OO 	 InChI=1S/C7H16O2/c1-4-5-6-7(2,3)9-8/h8H,4-6H2,1-3H3 	 132.2007 
 LMKBCO 	 CC(=O)C1CCC(C)(O)C(=O)C1 	 InChI=1S/C9H14O3/c1-6(10)7-3-4-9(2,12)8(11)5-7/h7,12H,3-5H2,1-2H3 	 170.2057 
 NC4CHO 	 O=CC=C(C)CON(=O)=O 	 InChI=1S/C5H7NO4/c1-5(2-3-7)4-10-6(8)9/h2-3H,4H2,1H3 	 145.1134 
 APINBO2 	 [O]OC1CC2CC(C1(C)O)C2(C)C 	 InChI=1S/C10H17O3/c1-9(2)6-4-7(9)10(3,11)8(5-6)13-12/h6-8,11H,4-5H2,1-3H3 	 185.2402 
 C521O 	 OCCC(=O)C(=O)C[O] 	 InChI=1S/C5H7O4/c6-2-1-4(8)5(9)3-7/h6H,1-3H2 	 131.1067 
 HEXBNO3 	 CCCCC(C)ON(=O)=O 	 InChI=1S/C6H13NO3/c1-3-4-5-6(2)10-7(8)9/h6H,3-5H2,1-2H3 	 147.1723 
 MPRNO3CO2H 	 O=N(=O)OC(C)(C)C(=O)O 	 InChI=1S/C4H7NO5/c1-4(2,3(6)7)10-5(8)9/h1-2H3,(H,6,7) 	 149.1021 
 C4OHCHO 	 CCCC(O)C=O 	 InChI=1S/C5H10O2/c1-2-3-5(7)4-6/h4-5,7H,2-3H2,1H3 	 102.1317 
 C610O2 	 OCC(O[O])C(C)C(=O)C 	 InChI=1S/C6H11O4/c1-4(5(2)8)6(3-7)10-9/h4,6-7H,3H2,1-2H3 	 147.1491 
 C141NO3 	 CC(=O)CCC1C(CC1(C)C)C(=C)CCO[N+](=O)[O-] 	 InChI=1S/C14H23NO4/c1-10(7-8-19-15(17)18)12-9-14(3,4)13(12)6-5-11(2)16/h12-13H,1,5-9H2,2-4H3 	 269.3367 
 T123CATECH 	 Cc1cc(O)c(O)c(C)c1C 	 InChI=1S/C9H12O2/c1-5-4-8(10)9(11)7(3)6(5)2/h4,10-11H,1-3H3 	 152.1904 
 PEN2ONE1O 	 CCCC(=O)C[O] 	 InChI=1S/C5H9O2/c1-2-3-5(7)4-6/h2-4H2,1H3 	 101.1238 
 APINANO3 	 O=N(=O)OC1(C)C(O)CC2CC1C2(C)C 	 InChI=1S/C10H17NO4/c1-9(2)6-4-7(9)10(3,8(12)5-6)15-11(13)14/h6-8,12H,4-5H2,1-3H3 	 215.2463 
 C515CO 	 O=CCC(=O)C(=O)C=O 	 InChI=1S/C5H4O4/c6-2-1-4(8)5(9)3-7/h2-3H,1H2 	 128.0829 
 HMACRO2 	 OCC(CO)(O[O])C=O 	 InChI=1S/C4H7O5/c5-1-4(2-6,3-7)9-8/h1,6-7H,2-3H2 	 135.0954 
 IPCATECHOL 	 Oc1cccc(C(C)C)c1O 	 InChI=1S/C9H12O2/c1-6(2)7-4-3-5-8(10)9(7)11/h3-6,10-11H,1-2H3 	 152.1904 
 PRCOFORM 	 CCCC(=O)OC=O 	 InChI=1S/C5H8O3/c1-2-3-5(7)8-4-6/h4H,2-3H2,1H3 	 116.1152 
 LMLKACO 	 O=CCC(CC(=O)C(=O)C)C(=O)C 	 InChI=1S/C9H12O4/c1-6(11)8(3-4-10)5-9(13)7(2)12/h4,8H,3,5H2,1-2H3 	 184.1892 
 EBENZOL 	 CCc1ccccc1O 	 InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3 	 122.1644 
 C811PAN 	 O=N(=O)OOC(=O)CC1CC(C(=O)O)C1(C)C 	 InChI=1S/C9H13NO7/c1-9(2)5(3-6(9)8(12)13)4-7(11)16-17-10(14)15/h5-6H,3-4H2,1-2H3,(H,12,13) 	 247.2020 
 ALLYLOH 	 OCC=C 	 InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2 	 58.0791 
 C87OOH 	 OOCC(=O)C(C=O)C(C)(C)C=O 	 InChI=1S/C8H12O5/c1-8(2,5-10)6(3-9)7(11)4-13-12/h3,5-6,12H,4H2,1-2H3 	 188.1779 
 C729PAN 	 O=CCC(CC(=O)OO[N+](=O)[O-])C(=C)C 	 InChI=1S/C8H11NO6/c1-6(2)7(3-4-10)5-8(11)14-15-9(12)13/h4,7H,1,3,5H2,2H3 	 217.1760 
 C141CO3H 	 OOC(=O)CCC(=C)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C15H24O4/c1-10(5-8-14(17)19-18)12-9-15(3,4)13(12)7-6-11(2)16/h12-13,18H,1,5-9H2,2-4H3 	 268.3487 
 NLMKAO2 	 [O]OC1(C)CCC(CC1O[N+](=O)[O-])C(=O)C 	 InChI=1S/C9H14NO6/c1-6(11)7-3-4-9(2,16-14)8(5-7)15-10(12)13/h7-8H,3-5H2,1-2H3 	 232.2106 
 C926O2 	 O=CCC(O[O])(CCC(=O)C)C(=O)C 	 InChI=1S/C9H13O5/c1-7(11)3-4-9(14-13,5-6-10)8(2)12/h6H,3-5H2,1-2H3 	 201.1965 
 CHCL2CHOH 	 OCC(Cl)Cl 	 InChI=1S/C2H4Cl2O/c3-2(4)1-5/h2,5H,1H2 	 114.9586 
 OETLMUCO2H 	 O=CC=CC1(C)OC1(CC)C(=O)O 	 InChI=1S/C9H12O4/c1-3-9(7(11)12)8(2,13-9)5-4-6-10/h4-6H,3H2,1-2H3,(H,11,12) 	 184.1892 
 EBENZO2 	 [O]Oc1ccccc1CC 	 InChI=1S/C8H9O2/c1-2-7-5-3-4-6-8(7)10-9/h3-6H,2H2,1H3 	 137.1559 
 PCATEC1OOH 	 OOc1c(C)ccc(C)c1O 	 InChI=1S/C8H10O3/c1-5-3-4-6(2)8(11-10)7(5)9/h3-4,9-10H,1-2H3 	 154.1632 
 C127NO3 	 OCCC(=C)C1(O[N+](=O)[O-])CC(C)(C)C1CC=O 	 InChI=1S/C12H19NO5/c1-9(4-6-14)12(18-13(16)17)8-11(2,3)10(12)5-7-15/h7,10,14H,1,4-6,8H2,2-3H3 	 257.2830 
 C4NO32M1O 	 CCC(C)(C[O])ON(=O)=O 	 InChI=1S/C5H10NO4/c1-3-5(2,4-7)10-6(8)9/h3-4H2,1-2H3 	 148.1372 
 IPROPOLO2H 	 OOCC(C)O 	 InChI=1S/C3H8O3/c1-3(4)2-6-5/h3-5H,2H2,1H3 	 92.0938 
 ETOC2O2 	 CCOCCO[O] 	 InChI=1S/C4H9O3/c1-2-6-3-4-7-5/h2-4H2,1H3 	 105.1125 
 EPXEKTCO3 	 CCC1(OC1C(=O)C)C(=O)O[O] 	 InChI=1S/C7H9O5/c1-3-7(6(9)12-10)5(11-7)4(2)8/h5H,3H2,1-2H3 	 173.1434 
 HMACROH 	 OCC(O)(CO)C=O 	 InChI=1S/C4H8O4/c5-1-4(8,2-6)3-7/h1,6-8H,2-3H2 	 120.1039 
 EIPKBO 	 [O]CC(C)C(=O)CC 	 InChI=1S/C6H11O2/c1-3-6(8)5(2)4-7/h5H,3-4H2,1-2H3 	 115.1503 
 NC8H18 	 CCCCCCCC 	 InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3 	 114.2285 
 H1C23C4CHO 	 OCC(=O)C(=O)CC=O 	 InChI=1S/C5H6O4/c6-2-1-4(8)5(9)3-7/h2,7H,1,3H2 	 130.0987 
 LMKAOOH 	 OOC1(C)CCC(CC1O)C(=O)C 	 InChI=1S/C9H16O4/c1-6(10)7-3-4-9(2,13-12)8(11)5-7/h7-8,11-12H,3-5H2,1-2H3 	 188.2209 
 C929O2 	 [O]OC(CC(=O)C)C(=O)C(C)(C)CO 	 InChI=1S/C9H15O5/c1-6(11)4-7(14-13)8(12)9(2,3)5-10/h7,10H,4-5H2,1-3H3 	 203.2124 
 C6H5CH2CHO 	 O=CCc1ccccc1 	 InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2 	 120.1485 
 PROPGLY 	 OCC(C)O 	 InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3 	 76.0944 
 CO2C54CO3 	 CC(CC(=O)C)C(=O)O[O] 	 InChI=1S/C6H9O4/c1-4(3-5(2)7)6(8)10-9/h4H,3H2,1-2H3 	 145.1333 
 C6H5C2H4O 	 [O]CCc1ccccc1 	 InChI=1S/C8H9O/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2 	 121.1565 
 IEC2OOH 	 OCC(=O)C(C)(OO)C=O 	 InChI=1S/C5H8O5/c1-5(3-7,10-9)4(8)2-6/h3,6,9H,2H2,1H3 	 148.1140 
 TM135BZOL 	 Cc1cc(C)c(O)c(C)c1 	 InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3 	 136.1910 
 OXYLOH 	 OCc1ccccc1C 	 InChI=1S/C8H10O/c1-7-4-2-3-5-8(7)6-9/h2-5,9H,6H2,1H3 	 122.1644 
 OXYLOL 	 Cc1c(C)cccc1O 	 InChI=1S/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3 	 122.1644 
 SBUACAOH 	 CCC(C)(O)OC(=O)C 	 InChI=1S/C6H12O3/c1-4-6(3,8)9-5(2)7/h8H,4H2,1-3H3 	 132.1577 
 C524OH 	 OCC(=C)C(O)CO 	 InChI=1S/C5H10O3/c1-4(2-6)5(8)3-7/h5-8H,1-3H2 	 118.1311 
 OXYFUONE 	 CC1=C(C)C(=O)OC1 	 InChI=1S/C6H8O2/c1-4-3-8-6(7)5(4)2/h3H2,1-2H3 	 112.1265 
 CO23C4CO3 	 [O]OC(=O)CC(=O)C(=O)C 	 InChI=1S/C5H5O5/c1-3(6)4(7)2-5(8)10-9/h2H2,1H3 	 145.0902 
 C524O2 	 OCC(=C)C(CO)O[O] 	 InChI=1S/C5H9O4/c1-4(2-6)5(3-7)9-8/h5-7H,1-3H2 	 133.1226 
 SC4H9O 	 CCC(C)[O] 	 InChI=1S/C4H9O/c1-3-4(2)5/h4H,3H2,1-2H3 	 73.1137 
 OXYLO2 	 [O]OCc1ccccc1C 	 InChI=1S/C8H9O2/c1-7-4-2-3-5-8(7)6-10-9/h2-5H,6H2,1H3 	 137.1559 
 CCL2OHCOCL 	 ClC(=O)C(O)(Cl)Cl 	 InChI=1S/C2HCl3O2/c3-1(6)2(4,5)7/h7H 	 163.3871 
 C72O 	 CCC(=O)CC([O])C(C)O 	 InChI=1S/C7H13O3/c1-3-6(9)4-7(10)5(2)8/h5,7-8H,3-4H2,1-2H3 	 145.1763 
 C621OOH 	 OCC(OO)CC(=O)C(=O)CO 	 InChI=1S/C6H10O6/c7-2-4(12-11)1-5(9)6(10)3-8/h4,7-8,11H,1-3H2 	 178.1400 
 TM124BO2 	 [O]OCc1ccc(C)c(C)c1 	 InChI=1S/C9H11O2/c1-7-3-4-9(6-11-10)5-8(7)2/h3-5H,6H2,1-2H3 	 151.1824 
 CO1M22CO2H 	 O=CC(C)(C)C(=O)O 	 InChI=1S/C5H8O3/c1-5(2,3-6)4(7)8/h3H,1-2H3,(H,7,8) 	 116.1152 
 LMKBOOH 	 OOC1CC(CCC1(C)O)C(=O)C 	 InChI=1S/C9H16O4/c1-6(10)7-3-4-9(2,11)8(5-7)13-12/h7-8,11-12H,3-5H2,1-2H3 	 188.2209 
 C96OOH 	 OOCC1CC(C(=O)C)C1(C)C 	 InChI=1S/C9H16O3/c1-6(10)8-4-7(5-12-11)9(8,2)3/h7-8,11H,4-5H2,1-3H3 	 172.2215 
 HOCHOCOOH 	 OCC(OO)C=O 	 InChI=1S/C3H6O4/c4-1-3(2-5)7-6/h1,3,5-6H,2H2 	 106.0773 
 PETLMUCPAN 	 CCC(=O)C=CC1(C)OC1C(=O)OON(=O)=O 	 InChI=1S/C9H11NO7/c1-3-6(11)4-5-9(2)7(15-9)8(12)16-17-10(13)14/h4-5,7H,3H2,1-2H3 	 245.1861 
 HEX3ONAO 	 CCC(=O)CC(C)[O] 	 InChI=1S/C6H11O2/c1-3-6(8)4-5(2)7/h5H,3-4H2,1-2H3 	 115.1503 
 C617O 	 [O]CC(=O)C(C)(C)C=O 	 InChI=1S/C6H9O3/c1-6(2,4-8)5(9)3-7/h4H,3H2,1-2H3 	 129.1339 
 CHOC3COOOH 	 OOC(=O)CC(=O)CC=O 	 InChI=1S/C5H6O5/c6-2-1-4(7)3-5(8)10-9/h2,9H,1,3H2 	 146.0981 
 C52OH3OOH 	 CCC(OO)C(C)O 	 InChI=1S/C5H12O3/c1-3-5(8-7)4(2)6/h4-7H,3H2,1-2H3 	 120.1470 
 MMALNBCO2H 	 O=CC(O)C(C)(ON(=O)=O)C(=O)O 	 InChI=1S/C5H7NO7/c1-5(4(9)10,3(8)2-7)13-6(11)12/h2-3,8H,1H3,(H,9,10) 	 193.1116 
 C94O 	 CCCC(=O)C([O])CC(=O)CC 	 InChI=1S/C9H15O3/c1-3-5-8(11)9(12)6-7(10)4-2/h9H,3-6H2,1-2H3 	 171.2136 
 NMBOBCO 	 O=CC(ON(=O)=O)C(C)(C)O 	 InChI=1S/C5H9NO5/c1-5(2,8)4(3-7)11-6(9)10/h3-4,8H,1-2H3 	 163.1287 
 C56NO3 	 OCC(C)C(O)ON(=O)=O 	 InChI=1S/C4H9NO5/c1-3(2-6)4(7)10-5(8)9/h3-4,6-7H,2H2,1H3 	 151.1180 
 DNOETOLOOH 	 CCC12OOC(N(=O)=O)(C2O)C(O)(OO)C(=C1C)N(=O)=O 	 InChI=1S/C9H12N2O10/c1-3-7-4(2)5(10(14)15)9(13,19-18)8(6(7)12,11(16)17)21-20-7/h6,12-13,18H,3H2,1-2H3 	 308.1990 
 MACROHO 	 CC(O)(C[O])C=O 	 InChI=1S/C4H7O3/c1-4(7,2-5)3-6/h2,7H,3H2,1H3 	 103.0966 
 EBZBPERNO3 	 CCC12C=CC(ON(=O)=O)C(OO1)C2O 	 InChI=1S/C8H11NO6/c1-2-8-4-3-5(13-9(11)12)6(7(8)10)14-15-8/h3-7,10H,2H2,1H3 	 217.1760 
 C620OOH 	 O=CCC(=O)C(OO)CC=O 	 InChI=1S/C6H8O5/c7-3-1-5(9)6(11-10)2-4-8/h3-4,6,10H,1-2H2 	 160.1247 
 NBUTOLBOOH 	 OCCC(C)OO 	 InChI=1S/C4H10O3/c1-4(7-6)2-3-5/h4-6H,2-3H2,1H3 	 106.1204 
 MIPKBOOH 	 CC(COO)C(=O)C 	 InChI=1S/C5H10O3/c1-4(3-8-7)5(2)6/h4,7H,3H2,1-2H3 	 118.1311 
 C624CO3H 	 OCCC(C(=C)C)C(=O)OO 	 InChI=1S/C7H12O4/c1-5(2)6(3-4-8)7(9)11-10/h6,8,10H,1,3-4H2,2H3 	 160.1678 
 C97OOH 	 OCC1CC(OO)(C(=O)C)C1(C)C 	 InChI=1S/C9H16O4/c1-6(11)9(13-12)4-7(5-10)8(9,2)3/h7,10,12H,4-5H2,1-3H3 	 188.2209 
 PBZQOOH 	 OOC1C(=O)C=CC(=O)C1O 	 InChI=1S/C6H6O5/c7-3-1-2-4(8)6(11-10)5(3)9/h1-2,5-6,9-10H 	 158.1088 
 NPPRBQO 	 CCCC1=CC(=O)C([O])C(ON(=O)=O)C1=O 	 InChI=1S/C9H10NO6/c1-2-3-5-4-6(11)8(13)9(7(5)12)16-10(14)15/h4,8-9H,2-3H2,1H3 	 228.1788 
 CH3COCH2O2 	 CC(=O)CO[O] 	 InChI=1S/C3H5O3/c1-3(4)2-6-5/h2H2,1H3 	 89.0700 
 DM124OOH 	 OOc1ccc(C)c(C)c1 	 InChI=1S/C8H10O2/c1-6-3-4-8(10-9)5-7(6)2/h3-5,9H,1-2H3 	 138.1638 
 ISOPAOH 	 OCC=C(C)CO 	 InChI=1S/C5H10O2/c1-5(4-7)2-3-6/h2,6-7H,3-4H2,1H3 	 102.1317 
 C5DCO2CO3H 	 OOC(=O)C=C(C)C(=O)C=O 	 InChI=1S/C6H6O5/c1-4(5(8)3-7)2-6(9)11-10/h2-3,10H,1H3 	 158.1088 
 PAN 	 CC(=O)OON(=O)=O 	 InChI=1S/C2H3NO5/c1-2(4)7-8-3(5)6/h1H3 	 121.0489 
 C77OH 	 CC(=O)CC(O)C(C)(C)O 	 InChI=1S/C7H14O3/c1-5(8)4-6(9)7(2,3)10/h6,9-10H,4H2,1-3H3 	 146.1843 
 OXNCATECH 	 Cc1cc(N(=O)=O)c(O)c(O)c1C 	 InChI=1S/C8H9NO4/c1-4-3-6(9(12)13)8(11)7(10)5(4)2/h3,10-11H,1-2H3 	 183.1614 
 OXNCATECO 	 CC1=C(O)C([O])(O)C2(OOC1(C)C2O)N(=O)=O 	 InChI=1S/C8H10NO8/c1-3-4(10)8(12,13)7(9(14)15)5(11)6(3,2)16-17-7/h5,10-12H,1-2H3 	 248.1669 
 C8CO2OHCO3 	 CCCC(=CC(=O)O[O])C(=O)C(O)C=O 	 InChI=1S/C9H11O6/c1-2-3-6(4-8(12)15-14)9(13)7(11)5-10/h4-5,7,11H,2-3H2,1H3 	 215.1800 
 DETLMUO3H 	 CCC(=O)C=C(C)C1OC1(CC)C(=O)OO 	 InChI=1S/C11H16O5/c1-4-8(12)6-7(3)9-11(5-2,15-9)10(13)16-14/h6,9,14H,4-5H2,1-3H3 	 228.2417 
 C77O2 	 [O]OC(CC(=O)C)C(C)(C)O 	 InChI=1S/C7H13O4/c1-5(8)4-6(11-10)7(2,3)9/h6,9H,4H2,1-3H3 	 161.1757 
 EBZMUCCO 	 CCC(=O)C(=O)C(O)C1OC1C=O 	 InChI=1S/C8H10O5/c1-2-4(10)6(11)7(12)8-5(3-9)13-8/h3,5,7-8,12H,2H2,1H3 	 186.1620 
 MPRKBOOH 	 CC(CC(=O)C)OO 	 InChI=1S/C5H10O3/c1-4(6)3-5(2)8-7/h5,7H,3H2,1-2H3 	 118.1311 
 BCKSOZ 	 O=C1CCC2OOC(C)(CCC3C1CC3(C)C)O2 	 InChI=1S/C14H22O4/c1-13(2)8-9-10(13)6-7-14(3)16-12(17-18-14)5-4-11(9)15/h9-10,12H,4-8H2,1-3H3 	 254.3221 
 PCATECOOA 	 [O-][O+]=C(O)C(=C/C=C/C(=O)O)CCC 	 InChI=1S/C9H12O5/c1-2-4-7(9(12)14-13)5-3-6-8(10)11/h3,5-6,12H,2,4H2,1H3,(H,10,11)/b6-3+,7-5? 	 200.1886 
 LIMAO2 	 [O]OC1(C)CCC(CC1O)C(=C)C 	 InChI=1S/C10H17O3/c1-7(2)8-4-5-10(3,13-12)9(11)6-8/h8-9,11H,1,4-6H2,2-3H3 	 185.2402 
 CCL3CH2OH 	 OCC(Cl)(Cl)Cl 	 InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2 	 149.4036 
 M22C4OOH 	 OOCCC(C)(C)C 	 InChI=1S/C6H14O2/c1-6(2,3)4-5-8-7/h7H,4-5H2,1-3H3 	 118.1742 
 NPETLQO 	 CCC1=CC(=O)C(C)([O])C(ON(=O)=O)C1=O 	 InChI=1S/C9H10NO6/c1-3-5-4-6(11)9(2,13)8(7(5)12)16-10(14)15/h4,8H,3H2,1-2H3 	 228.1788 
 EPXMEDLPAN 	 CCC1(C=O)OC1(C)C(=O)OON(=O)=O 	 InChI=1S/C7H9NO7/c1-3-7(4-9)6(2,14-7)5(10)13-15-8(11)12/h4H,3H2,1-2H3 	 219.1489 
 HMACO3 	 OCC(=C)C(=O)O[O] 	 InChI=1S/C4H5O4/c1-3(2-5)4(6)8-7/h5H,1-2H2 	 117.0801 
 C42OOH 	 OOC(CON(=O)=O)C(O)C=O 	 InChI=1S/C4H7NO7/c6-1-3(7)4(12-10)2-11-5(8)9/h1,3-4,7,10H,2H2 	 181.1009 
 CH3CHOHCO3 	 [O]OC(=O)C(C)O 	 InChI=1S/C3H5O4/c1-2(4)3(5)7-6/h2,4H,1H3 	 105.0694 
 CO3C85OOH 	 CCCC(OO)CC(=O)CC 	 InChI=1S/C8H16O3/c1-3-5-8(11-10)6-7(9)4-2/h8,10H,3-6H2,1-2H3 	 160.2108 
 ETBEBOH 	 CC(O)OC(C)(C)C 	 InChI=1S/C6H14O2/c1-5(7)8-6(2,3)4/h5,7H,1-4H3 	 118.1742 
 C520OH 	 OCC(O)(C=O)C(=O)C 	 InChI=1S/C5H8O4/c1-4(8)5(9,2-6)3-7/h2,7,9H,3H2,1H3 	 132.1146 
 MEMOXYCHO 	 COCC=O 	 InChI=1S/C3H6O2/c1-5-3-2-4/h2H,3H2,1H3 	 74.0785 
 HO24C4CHO 	 CC(O)CC(O)C=O 	 InChI=1S/C5H10O3/c1-4(7)2-5(8)3-6/h3-5,7-8H,2H2,1H3 	 118.1311 
 HOC3H6CO3H 	 OCCCC(=O)OO 	 InChI=1S/C4H8O4/c5-3-1-2-4(6)8-7/h5,7H,1-3H2 	 120.1039 
 NIPBFUONE 	 O=N(=O)OC1C(=O)OC(C(C)C)C1=O 	 InChI=1S/C7H9NO6/c1-3(2)5-4(9)6(7(10)13-5)14-8(11)12/h3,5-6H,1-2H3 	 203.1495 
 OCTOOH 	 CCCCCC(CC)OO 	 InChI=1S/C8H18O2/c1-3-5-6-7-8(4-2)10-9/h8-9H,3-7H2,1-2H3 	 146.2273 
 C6DIALO 	 O=CCCC([O])CC=O 	 InChI=1S/C6H9O3/c7-4-1-2-6(9)3-5-8/h4-6H,1-3H2 	 129.1339 
 MACRNOOA 	 [O-][O+]=CC(C)(CO)ON(=O)=O 	 InChI=1S/C4H7NO6/c1-4(2-6,3-10-9)11-5(7)8/h3,6H,2H2,1H3 	 165.1015 
 MCOOTBOOH 	 OOCC(C)(C)OC(=O)C 	 InChI=1S/C6H12O4/c1-5(7)10-6(2,3)4-9-8/h8H,4H2,1-3H3 	 148.1571 
 LIMAOH 	 CC(=C)C1CCC(C)(O)C(O)C1 	 InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3 	 170.2487 
 CCL3CH2O2 	 [O]OCC(Cl)(Cl)Cl 	 InChI=1S/C2H2Cl3O2/c3-2(4,5)1-7-6/h1H2 	 164.3951 
 EBZPOXMUC 	 CCC(=O)C=CC1OC1C=O 	 InChI=1S/C8H10O3/c1-2-6(10)3-4-7-8(5-9)11-7/h3-5,7-8H,2H2,1H3 	 154.1632 
 TM123OBPOH 	 O=C1C=CC2(C)OOC1(C)C2(C)O 	 InChI=1S/C9H12O4/c1-7-5-4-6(10)8(2,13-12-7)9(7,3)11/h4-5,11H,1-3H3 	 184.1892 
 MIBKAOHBO 	 CC(O)(CC(=O)C)C[O] 	 InChI=1S/C6H11O3/c1-5(8)3-6(2,9)4-7/h9H,3-4H2,1-2H3 	 131.1497 
 CO3C4CHO 	 CCC(=O)CC=O 	 InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h4H,2-3H2,1H3 	 100.1158 
 C52OH 	 OCCC(C)CO 	 InChI=1S/C5H12O2/c1-5(4-7)2-3-6/h5-7H,2-4H2,1H3 	 104.1476 
 DIETETHER 	 CCOCC 	 InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3 	 74.1216 
 C43NO3PAN 	 CCC(C)(ON(=O)=O)C(=O)OON(=O)=O 	 InChI=1S/C5H8N2O8/c1-3-5(2,14-6(9)10)4(8)13-15-7(11)12/h3H2,1-2H3 	 224.1256 
 NOPINCOH 	 O=C1CCC2(O)CC1C2(C)C 	 InChI=1S/C9H14O2/c1-8(2)6-5-9(8,11)4-3-7(6)10/h6,11H,3-5H2,1-2H3 	 154.2063 
 C829O2 	 OCCC(=O)C(=O)CC(C)(C)O[O] 	 InChI=1S/C8H13O5/c1-8(2,13-12)5-7(11)6(10)3-4-9/h9H,3-5H2,1-2H3 	 189.1858 
 BUT2OLOOH 	 OOC(C)C(C)O 	 InChI=1S/C4H10O3/c1-3(5)4(2)7-6/h3-6H,1-2H3 	 106.1204 
 C74O 	 CC(=O)CC(=O)C(=O)C(C)[O] 	 InChI=1S/C7H9O4/c1-4(8)3-6(10)7(11)5(2)9/h5H,3H2,1-2H3 	 157.1440 
 IPROACETO 	 CC(=O)OC(C)(C)[O] 	 InChI=1S/C5H9O3/c1-4(6)8-5(2,3)7/h1-3H3 	 117.1232 
 NOPINCO2 	 [O]OC12CCC(=O)C(C1)C2(C)C 	 InChI=1S/C9H13O3/c1-8(2)6-5-9(8,12-11)4-3-7(6)10/h6H,3-5H2,1-2H3 	 169.1977 
 C829OH 	 OCCC(=O)C(=O)CC(C)(C)O 	 InChI=1S/C8H14O4/c1-8(2,12)5-7(11)6(10)3-4-9/h9,12H,3-5H2,1-2H3 	 174.1944 
 C42MNO3OOH 	 OOC(C)(C)C(C)(C)ON(=O)=O 	 InChI=1S/C6H13NO5/c1-5(2,11-7(8)9)6(3,4)12-10/h10H,1-4H3 	 179.1711 
 C52O2 	 [O]OCCC(C)CO 	 InChI=1S/C5H11O3/c1-5(4-6)2-3-8-7/h5-6H,2-4H2,1H3 	 119.1390 
 C722O2 	 O=CCC(C(=O)O)C(C)(C)O[O] 	 InChI=1S/C7H11O5/c1-7(2,12-11)5(3-4-8)6(9)10/h4-5H,3H2,1-2H3,(H,9,10) 	 175.1592 
 HC4ACO2H 	 OCC(=CC(=O)O)C 	 InChI=1S/C5H8O3/c1-4(3-6)2-5(7)8/h2,6H,3H2,1H3,(H,7,8) 	 116.1152 
 DICLETO2H 	 OOC(Cl)CCl 	 InChI=1S/C2H4Cl2O2/c3-1-2(4)6-5/h2,5H,1H2 	 130.9580 
 C55O 	 [O]CC(=O)C(C)(C)O 	 InChI=1S/C5H9O3/c1-5(2,8)4(7)3-6/h8H,3H2,1-2H3 	 117.1232 
 C7CDCCO2H 	 CC(=CC(=O)O)C(=O)CC 	 InChI=1S/C7H10O3/c1-3-6(8)5(2)4-7(9)10/h4H,3H2,1-2H3,(H,9,10) 	 142.1525 
 C818O 	 OCC(CC([O])C(=O)C)C(=O)C 	 InChI=1S/C8H13O4/c1-5(10)7(4-9)3-8(12)6(2)11/h7-9H,3-4H2,1-2H3 	 173.1864 
 DNOXYOLO 	 O=N(=O)C1=C(C)C2(C)OOC(N(=O)=O)(C2O)C1([O])O 	 InChI=1S/C8H9N2O9/c1-3-4(9(14)15)8(12,13)7(10(16)17)5(11)6(3,2)18-19-7/h5,11-12H,1-2H3 	 277.1651 
 H2M2C65O2 	 [O]OC(C)CCC(C)(C)O 	 InChI=1S/C7H15O3/c1-6(10-9)4-5-7(2,3)8/h6,8H,4-5H2,1-3H3 	 147.1922 
 CO2C3CO3H 	 CC(=O)CC(=O)OO 	 InChI=1S/C4H6O4/c1-3(5)2-4(6)8-7/h7H,2H2,1H3 	 118.0880 
 DMKCOOH 	 CC(=O)C(=O)C(O)C(=O)C 	 InChI=1S/C6H8O4/c1-3(7)5(9)6(10)4(2)8/h5,9H,1-2H3 	 144.1253 
 NC12H26 	 CCCCCCCCCCCC 	 InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3 	 170.3348 
 M33C4NO3 	 CCC(C)(C)CON(=O)=O 	 InChI=1S/C6H13NO3/c1-4-6(2,3)5-10-7(8)9/h4-5H2,1-3H3 	 147.1723 
 C65OH4OOH 	 CCCC(OO)C(C)O 	 InChI=1S/C6H14O3/c1-3-4-6(9-8)5(2)7/h5-8H,3-4H2,1-2H3 	 134.1736 
 C4OH2CO3 	 [O]OC(=O)C(O)C(C)(C)O 	 InChI=1S/C5H9O5/c1-5(2,8)3(6)4(7)10-9/h3,6,8H,1-2H3 	 149.1220 
 ACETC2H4O2 	 CC(=O)OCCO[O] 	 InChI=1S/C4H7O4/c1-4(5)7-2-3-8-6/h2-3H2,1H3 	 119.0960 
 M2PECNO3 	 CCC(ON(=O)=O)C(C)C 	 InChI=1S/C6H13NO3/c1-4-6(5(2)3)10-7(8)9/h5-6H,4H2,1-3H3 	 147.1723 
 M2PEDO 	 CCCC(C)(C)[O] 	 InChI=1S/C6H13O/c1-4-5-6(2,3)7/h4-5H2,1-3H3 	 101.1668 
 HOCH2CO3H 	 OCC(=O)OO 	 InChI=1S/C2H4O4/c3-1-2(4)6-5/h3,5H,1H2 	 92.0508 
 METACETNO3 	 CC(=O)OCON(=O)=O 	 InChI=1S/C3H5NO5/c1-3(5)8-2-9-4(6)7/h2H2,1H3 	 135.0755 
 PR2O2HNO3 	 OOC(C)CON(=O)=O 	 InChI=1S/C3H7NO5/c1-3(9-7)2-8-4(5)6/h3,7H,2H2,1H3 	 137.0914 
 TLEMUCCO3H 	 CC(=O)C=CC1OC1C(=O)OO 	 InChI=1S/C7H8O5/c1-4(8)2-3-5-6(11-5)7(9)12-10/h2-3,5-6,10H,1H3 	 172.1354 
 SBUACCOOH 	 OOC(C)(OC(=O)C)C(=O)C 	 InChI=1S/C6H10O5/c1-4(7)6(3,11-9)10-5(2)8/h9H,1-3H3 	 162.1406 
 ME3BUOLO2 	 OCC(O[O])C(C)C 	 InChI=1S/C5H11O3/c1-4(2)5(3-6)8-7/h4-6H,3H2,1-2H3 	 119.1390 
 C6COCHOO 	 [O]CCCC(=O)CC=O 	 InChI=1S/C6H9O3/c7-4-1-2-6(9)3-5-8/h5H,1-4H2 	 129.1339 
 CH3COCH2O 	 CC(=O)C[O] 	 InChI=1S/C3H5O2/c1-3(5)2-4/h2H2,1H3 	 73.0706 
 MXYQOH 	 O=C1C=C(C)C(=O)C(C)(O)C1O 	 InChI=1S/C8H10O4/c1-4-3-5(9)7(11)8(2,12)6(4)10/h3,7,11-12H,1-2H3 	 170.1626 
 HEX2ONBO2 	 CC(CCC(=O)C)O[O] 	 InChI=1S/C6H11O3/c1-5(7)3-4-6(2)9-8/h6H,3-4H2,1-2H3 	 131.1497 
 C6H5CH2O 	 [O]Cc1ccccc1 	 InChI=1S/C7H7O/c8-6-7-4-2-1-3-5-7/h1-5H,6H2 	 107.1299 
 LMKAO 	 CC(=O)C1CCC(C)([O])C(O)C1 	 InChI=1S/C9H15O3/c1-6(10)7-3-4-9(2,12)8(11)5-7/h7-8,11H,3-5H2,1-2H3 	 171.2136 
 C87CO3H 	 OOC(=O)CC(=O)C(C=O)C(C)(C)C=O 	 InChI=1S/C9H12O6/c1-9(2,5-11)6(4-10)7(12)3-8(13)15-14/h4-6,14H,3H2,1-2H3 	 216.1880 
 C84OH 	 CCC(=O)CC(O)C(=O)CC 	 InChI=1S/C8H14O3/c1-3-6(9)5-8(11)7(10)4-2/h8,11H,3-5H2,1-2H3 	 158.1950 
 HO4C5CO3H 	 CCCC(O)CC(=O)OO 	 InChI=1S/C6H12O4/c1-2-3-5(7)4-6(8)10-9/h5,7,9H,2-4H2,1H3 	 148.1571 
 MXYQO2 	 [O]OC1(C)C(O)C(=O)C=C(C)C1=O 	 InChI=1S/C8H9O5/c1-4-3-5(9)7(11)8(2,13-12)6(4)10/h3,7,11H,1-2H3 	 185.1541 
 MTBEAALNO3 	 O=COC(C)(C)CON(=O)=O 	 InChI=1S/C5H9NO5/c1-5(2,10-4-7)3-11-6(8)9/h4H,3H2,1-2H3 	 163.1287 
 PHCOME 	 CC(=O)c1ccccc1 	 InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3 	 120.1485 
 PMALNHY2OH 	 CCCC1(O)C(O)C(=O)OC1=O 	 InChI=1S/C7H10O5/c1-2-3-7(11)4(8)5(9)12-6(7)10/h4,8,11H,2-3H2,1H3 	 174.1513 
 C732NO3 	 OC(=O)CCC(CO[N+](=O)[O-])C(=O)C 	 InChI=1S/C7H11NO6/c1-5(9)6(2-3-7(10)11)4-14-8(12)13/h6H,2-4H2,1H3,(H,10,11) 	 205.1653 
 C1011OH 	 CC(=O)CCC1C(O)CC1(C)C 	 InChI=1S/C10H18O2/c1-7(11)4-5-8-9(12)6-10(8,2)3/h8-9,12H,4-6H2,1-3H3 	 170.2487 
 HO2C4CO3 	 [O]OC(=O)CCC(C)O 	 InChI=1S/C5H9O4/c1-4(6)2-3-5(7)9-8/h4,6H,2-3H2,1H3 	 133.1226 
 NOXYOLO2 	 [O]OC1(O)C=C(C)C2(C)OOC1C2ON(=O)=O 	 InChI=1S/C8H10NO8/c1-4-3-8(10,16-13)6-5(14-9(11)12)7(4,2)17-15-6/h3,5-6,10H,1-2H3 	 248.1669 
 C6DCARBBO2 	 CCC(=O)C=CC(=O)O[O] 	 InChI=1S/C6H7O4/c1-2-5(7)3-4-6(8)10-9/h3-4H,2H2,1H3 	 143.1174 
 METLBPROOH 	 OOC1C=CC2(C)OOC1(CC)C2O 	 InChI=1S/C9H14O5/c1-3-9-6(12-11)4-5-8(2,7(9)10)13-14-9/h4-7,10-11H,3H2,1-2H3 	 202.2045 
 MPRKAO 	 CCC([O])C(=O)C 	 InChI=1S/C5H9O2/c1-3-5(7)4(2)6/h5H,3H2,1-2H3 	 101.1238 
 ETBEBO 	 CC([O])OC(C)(C)C 	 InChI=1S/C6H13O2/c1-5(7)8-6(2,3)4/h5H,1-4H3 	 117.1662 
 HO1CO24C5 	 CC(=O)CC(=O)CO 	 InChI=1S/C5H8O3/c1-4(7)2-5(8)3-6/h6H,2-3H2,1H3 	 116.1152 
 HO1CO24C6 	 CCC(=O)CC(=O)CO 	 InChI=1S/C6H10O3/c1-2-5(8)3-6(9)4-7/h7H,2-4H2,1H3 	 130.1418 
 EIPEO 	 CCOC(C)(C)[O] 	 InChI=1S/C5H11O2/c1-4-7-5(2,3)6/h4H2,1-3H3 	 103.1396 
 PETOH 	 CCc1ccc(C)cc1O 	 InChI=1S/C9H12O/c1-3-8-5-4-7(2)6-9(8)10/h4-6,10H,3H2,1-2H3 	 136.1910 
 C5O5OHCO3H 	 CCCC(=O)C(O)C(=O)OO 	 InChI=1S/C6H10O5/c1-2-3-4(7)5(8)6(9)11-10/h5,8,10H,2-3H2,1H3 	 162.1406 
 H3M3C5CO2H 	 CC(O)(CCC(=O)O)CC 	 InChI=1S/C7H14O3/c1-3-7(2,10)5-4-6(8)9/h10H,3-5H2,1-2H3,(H,8,9) 	 146.1843 
 NOXYOLOH 	 O=N(=O)OC1C2OOC1(C)C(=CC2(O)O)C 	 InChI=1S/C8H11NO7/c1-4-3-8(10,11)6-5(14-9(12)13)7(4,2)16-15-6/h3,5-6,10-11H,1-2H3 	 233.1754 
 C1011O2 	 [O]OC1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C10H17O3/c1-7(11)4-5-8-9(13-12)6-10(8,2)3/h8-9H,4-6H2,1-3H3 	 185.2402 
 HC4CCO3H 	 OCC=C(C)C(=O)OO 	 InChI=1S/C5H8O4/c1-4(2-3-6)5(7)9-8/h2,6,8H,3H2,1H3 	 132.1146 
 EIPKBNO3 	 CCC(=O)C(C)CON(=O)=O 	 InChI=1S/C6H11NO4/c1-3-6(8)5(2)4-11-7(9)10/h5H,3-4H2,1-2H3 	 161.1558 
 C5DICARB 	 O=CC=CC(=O)C 	 InChI=1S/C5H6O2/c1-5(7)3-2-4-6/h2-4H,1H3 	 98.0999 
 M23C4 	 CC(C)C(C)C 	 InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3 	 86.1754 
 INB2O 	 [O]CC(O)C(C)(CO)ON(=O)=O 	 InChI=1S/C5H10NO6/c1-5(3-8,4(9)2-7)12-6(10)11/h4,8-9H,2-3H2,1H3 	 180.1360 
 PXYLOH 	 OCc1ccc(C)cc1 	 InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3 	 122.1644 
 C3EDIALO2 	 CCC(O[O])(C=O)C=O 	 InChI=1S/C5H7O4/c1-2-5(3-6,4-7)9-8/h3-4H,2H2,1H3 	 131.1067 
 PXYLOL 	 Cc1ccc(C)c(O)c1 	 InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3 	 122.1644 
 BCSOZOOH 	 OCC1(OO)CCC2OOC(C)(CCC3C1CC3(C)C)O2 	 InChI=1S/C15H26O6/c1-13(2)8-11-10(13)4-6-14(3)18-12(19-21-14)5-7-15(11,9-16)20-17/h10-12,16-17H,4-9H2,1-3H3 	 302.3633 
 NC730O 	 [O-][N+](=O)OCC(C)([O])C(CCO)C=O 	 InChI=1S/C7H12NO6/c1-7(11,5-14-8(12)13)6(4-10)2-3-9/h4,6,9H,2-3,5H2,1H3 	 206.1733 
 NT124L1O 	 Cc1cc(N(=O)=O)c(C)c(C)c1[O] 	 InChI=1S/C9H10NO3/c1-5-4-8(10(12)13)6(2)7(3)9(5)11/h4H,1-3H3 	 180.1806 
 HMACROOH 	 OCC(CO)(OO)C=O 	 InChI=1S/C4H8O5/c5-1-4(2-6,3-7)9-8/h1,6-8H,2-3H2 	 136.1033 
 PE2ENEBO2 	 CCC(O)C(C)O[O] 	 InChI=1S/C5H11O3/c1-3-5(6)4(2)8-7/h4-6H,3H2,1-2H3 	 119.1390 
 OXYLNO3 	 O=N(=O)OCc1ccccc1C 	 InChI=1S/C8H9NO3/c1-7-4-2-3-5-8(7)6-12-9(10)11/h2-5H,6H2,1H3 	 167.1620 
 DM124OHNO2 	 Cc1cc(O)c(cc1C)N(=O)=O 	 InChI=1S/C8H9NO3/c1-5-3-7(9(11)12)8(10)4-6(5)2/h3-4,10H,1-2H3 	 167.1620 
 M2PEDNO3 	 CCCC(C)(C)ON(=O)=O 	 InChI=1S/C6H13NO3/c1-4-5-6(2,3)10-7(8)9/h4-5H2,1-3H3 	 147.1723 
 HO4C5CO3 	 CCCC(O)CC(=O)O[O] 	 InChI=1S/C6H11O4/c1-2-3-5(7)4-6(8)10-9/h5,7H,2-4H2,1H3 	 147.1491 
 C3H7CHOOB 	 [O-][O+]=CCCC 	 InChI=1S/C4H8O2/c1-2-3-4-6-5/h4H,2-3H2,1H3 	 88.1051 
 C3H7CHOOA 	 [O-][O+]=CCCC 	 InChI=1S/C4H8O2/c1-2-3-4-6-5/h4H,2-3H2,1H3 	 88.1051 
 CO3C5CO3 	 CCC(=O)CCC(=O)O[O] 	 InChI=1S/C6H9O4/c1-2-5(7)3-4-6(8)10-9/h2-4H2,1H3 	 145.1333 
 BCSOZ 	 C=C1CCC2OOC(C)(CCC3C1CC3(C)C)O2 	 InChI=1S/C15H24O3/c1-10-5-6-13-16-15(4,18-17-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3 	 252.3493 
 ACEBUTBONE 	 CCC(=O)COC(=O)C 	 InChI=1S/C6H10O3/c1-3-6(8)4-9-5(2)7/h3-4H2,1-2H3 	 130.1418 
 C7MCO3OHO2 	 O=CC(=O)C(O)C(O[O])C(=O)C(C)C 	 InChI=1S/C8H11O6/c1-4(2)6(11)8(14-13)7(12)5(10)3-9/h3-4,7-8,12H,1-2H3 	 203.1693 
 C3EDIALOH 	 CCC(O)(C=O)C=O 	 InChI=1S/C5H8O3/c1-2-5(8,3-6)4-7/h3-4,8H,2H2,1H3 	 116.1152 
 PXYLO2 	 [O]OCc1ccc(C)cc1 	 InChI=1S/C8H9O2/c1-7-2-4-8(5-3-7)6-10-9/h2-5H,6H2,1H3 	 137.1559 
 CO245C7 	 CCC(=O)C(=O)CC(=O)C 	 InChI=1S/C7H10O3/c1-3-6(9)7(10)4-5(2)8/h3-4H2,1-2H3 	 142.1525 
 PTLQCO 	 O=C1C(=CC(=O)C(=O)C1O)C 	 InChI=1S/C7H6O4/c1-3-2-4(8)6(10)7(11)5(3)9/h2,7,11H,1H3 	 154.1201 
 BOXPOLBNO3 	 CCCCOC(ON(=O)=O)C(C)O 	 InChI=1S/C7H15NO5/c1-3-4-5-12-7(6(2)9)13-8(10)11/h6-7,9H,3-5H2,1-2H3 	 193.1977 
 CO2H3CO3 	 CC(=O)C(O)C(=O)O[O] 	 InChI=1S/C4H5O5/c1-2(5)3(6)4(7)9-8/h3,6H,1H3 	 133.0795 
 NPBNZOLO 	 CCCC12OOC(C2ON(=O)=O)C(O)([O])C=C1 	 InChI=1S/C9H12NO7/c1-2-3-8-4-5-9(11,12)7(16-17-8)6(8)15-10(13)14/h4-7,11H,2-3H2,1H3 	 246.1941 
 CHOC4O 	 [O]CCCCC=O 	 InChI=1S/C5H9O2/c6-4-2-1-3-5-7/h4H,1-3,5H2 	 101.1238 
 MTBKOH 	 OCC(C)(C)C(=O)C 	 InChI=1S/C6H12O2/c1-5(8)6(2,3)4-7/h7H,4H2,1-3H3 	 116.1583 
 NBUTDBNO3 	 O=N(=O)OCC=CCON(=O)=O 	 InChI=1S/C4H6N2O6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-2H,3-4H2 	 178.1002 
 PNCATECO 	 CCCC12OOC(C(=C(O)C2(O)[O])N(=O)=O)C1O 	 InChI=1S/C9H12NO8/c1-2-3-8-7(12)5(17-18-8)4(10(15)16)6(11)9(8,13)14/h5,7,11-13H,2-3H2,1H3 	 262.1935 
 PNCATECH 	 CCCc1ccc(N(=O)=O)c(O)c1O 	 InChI=1S/C9H11NO4/c1-2-3-6-4-5-7(10(13)14)9(12)8(6)11/h4-5,11-12H,2-3H2,1H3 	 197.1879 
 C4MCONO3OH 	 O=N(=O)OCC(=O)C(C)(C)O 	 InChI=1S/C5H9NO5/c1-5(2,8)4(7)3-11-6(9)10/h8H,3H2,1-2H3 	 163.1287 
 C1013OH 	 COC(=O)CCC1C(O)CC1(C)C 	 InChI=1S/C10H18O3/c1-10(2)6-8(11)7(10)4-5-9(12)13-3/h7-8,11H,4-6H2,1-3H3 	 186.2481 
 C5H11CHO 	 CCCCCC=O 	 InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3 	 100.1589 
 C7DICARB 	 CCCC(=O)C=CC=O 	 InChI=1S/C7H10O2/c1-2-4-7(9)5-3-6-8/h3,5-6H,2,4H2,1H3 	 126.1531 
 C5DBECO3 	 [O]OC(=O)C=C(CC)C(=O)C(=O)C 	 InChI=1S/C8H9O5/c1-3-6(4-7(10)13-12)8(11)5(2)9/h4H,3H2,1-2H3 	 185.1541 
 C108OOH 	 O=CCC(CC(=O)C(=O)C)C(C)(C)OO 	 InChI=1S/C10H16O5/c1-7(12)9(13)6-8(4-5-11)10(2,3)15-14/h5,8,14H,4,6H2,1-3H3 	 216.2310 
 NMXYOL1OOH 	 OOc1c(C)cc(C)cc1N(=O)=O 	 InChI=1S/C8H9NO4/c1-5-3-6(2)8(13-12)7(4-5)9(10)11/h3-4,12H,1-2H3 	 183.1614 
 CLGLYOX 	 ClC(=O)C(=O)Cl 	 InChI=1S/C2Cl2O2/c3-1(5)2(4)6 	 126.9262 
 TMB2FUOH 	 CC1OC(=O)C(C)(O)C1(C)O 	 InChI=1S/C7H12O4/c1-4-6(2,9)7(3,10)5(8)11-4/h4,9-10H,1-3H3 	 160.1678 
 PRONEMOOOH 	 COC(OO)C(=O)C 	 InChI=1S/C4H8O4/c1-3(5)4(7-2)8-6/h4,6H,1-2H3 	 120.1039 
 DIBRETO2H 	 OOC(Br)CBr 	 InChI=1S/C2H4Br2O2/c3-1-2(4)6-5/h2,5H,1H2 	 219.8600 
 TM123O2 	 [O]Oc1ccc(C)c(C)c1C 	 InChI=1S/C9H11O2/c1-6-4-5-9(11-10)8(3)7(6)2/h4-5H,1-3H3 	 151.1824 
 OETLQONE 	 CCC1=C(C)C(=O)C=CC1=O 	 InChI=1S/C9H10O2/c1-3-7-6(2)8(10)4-5-9(7)11/h4-5H,3H2,1-2H3 	 150.1745 
 C4MCONO3O2 	 [O]OC(C)(C)C(=O)CON(=O)=O 	 InChI=1S/C5H8NO6/c1-5(2,12-10)4(7)3-11-6(8)9/h3H2,1-2H3 	 178.1201 
 C4PAN10 	 OCC(=O)C(O)C(=O)OON(=O)=O 	 InChI=1S/C4H5NO8/c6-1-2(7)3(8)4(9)12-13-5(10)11/h3,6,8H,1H2 	 195.0844 
 C62NO33O2 	 CCCC(O[O])C(C)ON(=O)=O 	 InChI=1S/C6H12NO5/c1-3-4-6(12-10)5(2)11-7(8)9/h5-6H,3-4H2,1-2H3 	 178.1632 
 C524OOH 	 OCC(=C)C(CO)OO 	 InChI=1S/C5H10O4/c1-4(2-6)5(3-7)9-8/h5-8H,1-3H2 	 134.1305 
 C4H9CO3 	 CCCCC(=O)O[O] 	 InChI=1S/C5H9O3/c1-2-3-4-5(6)8-7/h2-4H2,1H3 	 117.1232 
 C611O 	 CC(=O)C(C)([O])C(=O)C 	 InChI=1S/C6H9O3/c1-4(7)6(3,9)5(2)8/h1-3H3 	 129.1339 
 MTBKO2 	 [O]OCC(C)(C)C(=O)C 	 InChI=1S/C6H11O3/c1-5(7)6(2,3)4-9-8/h4H2,1-3H3 	 131.1497 
 C67OOH 	 O=CCC(OO)C(C)(C)O 	 InChI=1S/C6H12O4/c1-6(2,8)5(10-9)3-4-7/h4-5,8-9H,3H2,1-2H3 	 148.1571 
 SBUACONEO2 	 [O]OC(C)(OC(=O)C)C(=O)C 	 InChI=1S/C6H9O5/c1-4(7)6(3,11-9)10-5(2)8/h1-3H3 	 161.1327 
 HCC7CO 	 O=C1CC=C(C)C(O)C1 	 InChI=1S/C7H10O2/c1-5-2-3-6(8)4-7(5)9/h2,7,9H,3-4H2,1H3 	 126.1531 
 PRONEMOX 	 COCC(=O)C 	 InChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3 	 88.1051 
 C2H5MECOO 	 [O-][O+]=C(C)CC 	 InChI=1S/C4H8O2/c1-3-4(2)6-5/h3H2,1-2H3 	 88.1051 
 C61CO3H 	 CCCC(=O)C(=O)C(O)C(=O)OO 	 InChI=1S/C7H10O6/c1-2-3-4(8)5(9)6(10)7(11)13-12/h6,10,12H,2-3H2,1H3 	 190.1507 
 C23O3ECO3H 	 OOC(=O)C(CC)OC(=O)C(=O)C 	 InChI=1S/C7H10O6/c1-3-5(7(10)13-11)12-6(9)4(2)8/h5,11H,3H2,1-2H3 	 190.1507 
 TMBNO3 	 O=N(=O)OCc1cc(C)cc(C)c1 	 InChI=1S/C9H11NO3/c1-7-3-8(2)5-9(4-7)6-13-10(11)12/h3-5H,6H2,1-2H3 	 181.1885 
 PEBQO2 	 [O]OCC(=O)C=C(CC)C(=O)CO.O=C1CCC(=O)C(=C1)C 	 InChI=1S/C8H11O5.C7H8O2/c1-2-6(8(11)4-9)3-7(10)5-13-12;1-5-4-6(8)2-3-7(5)9/h3,9H,2,4-5H2,1H3;4H,2-3H2,1H3 	 311.3072 
 BCCNO3 	 OCC1(CC\C=C(\C)/CCC2C1CC2(C)C)O[N+](=O)[O-] 	 InChI=1S/C15H25NO4/c1-11-5-4-8-15(10-17,20-16(18)19)13-9-14(2,3)12(13)7-6-11/h5,12-13,17H,4,6-10H2,1-3H3/b11-5- 	 283.3633 
 NPETOL1O 	 CCc1ccc(C)c(N(=O)=O)c1[O] 	 InChI=1S/C9H10NO3/c1-3-7-5-4-6(2)8(9(7)11)10(12)13/h4-5H,3H2,1-2H3 	 180.1806 
 C77OOH 	 OOC(CC(=O)C)C(C)(C)O 	 InChI=1S/C7H14O4/c1-5(8)4-6(11-10)7(2,3)9/h6,9-10H,4H2,1-3H3 	 162.1837 
 NC101O 	 O=N(=O)OC1(C)C(=O)CC2([O])CC1C2(C)C 	 InChI=1S/C10H14NO5/c1-8(2)6-4-10(8,13)5-7(12)9(6,3)16-11(14)15/h6H,4-5H2,1-3H3 	 228.2219 
 C96O 	 [O]CC1CC(C(=O)C)C1(C)C 	 InChI=1S/C9H15O2/c1-6(11)8-4-7(5-10)9(8,2)3/h7-8H,4-5H2,1-3H3 	 155.2142 
 HO3C5CO2H 	 CCC(O)CCC(=O)O 	 InChI=1S/C6H12O3/c1-2-5(7)3-4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9) 	 132.1577 
 C4OH2CO3H 	 OOC(=O)C(O)C(C)(C)O 	 InChI=1S/C5H10O5/c1-5(2,8)3(6)4(7)10-9/h3,6,8-9H,1-2H3 	 150.1299 
 PPRBQONE 	 CCCC1=CC(=O)C=CC1=O 	 InChI=1S/C9H10O2/c1-2-3-7-6-8(10)4-5-9(7)11/h4-6H,2-3H2,1H3 	 150.1745 
 BUTALO 	 CC([O])CC=O 	 InChI=1S/C4H7O2/c1-4(6)2-3-5/h3-4H,2H2,1H3 	 87.0972 
 MIBK 	 CC(C)CC(=O)C 	 InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3 	 100.1589 
 PEBQOH 	 OCC(=O)C=C(CC)C(=O)CO.O=C1CCC(=O)C(=C1)C 	 InChI=1S/C8H12O4.C7H8O2/c1-2-6(8(12)5-10)3-7(11)4-9;1-5-4-6(8)2-3-7(5)9/h3,9-10H,2,4-5H2,1H3;4H,2-3H2,1H3 	 296.3157 
 CCL2CH2 	 ClC(=C)Cl 	 InChI=1S/C2H2Cl2/c1-2(3)4/h1H2 	 96.9433 
 ACO3B 	 OCC(O[O])C=O 	 InChI=1S/C3H5O4/c4-1-3(2-5)7-6/h1,3,5H,2H2 	 105.0694 
 INAHCO3 	 [O]OC(=O)C(C)(O)C(O)CON(=O)=O 	 InChI=1S/C5H8NO8/c1-5(9,4(8)14-12)3(7)2-13-6(10)11/h3,7,9H,2H2,1H3 	 210.1189 
 NBUTOL 	 CCCCO 	 InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3 	 74.1216 
 C137OOH 	 OOCCC(=C)C1CC(C)(C)C1CCC(=O)O 	 InChI=1S/C13H22O4/c1-9(6-7-17-16)10-8-13(2,3)11(10)4-5-12(14)15/h10-11,16H,1,4-8H2,2-3H3,(H,14,15) 	 242.3114 
 C525OOH 	 OCC(=O)C(CO)(CO)OO 	 InChI=1S/C5H10O6/c6-1-4(9)5(2-7,3-8)11-10/h6-8,10H,1-3H2 	 166.1293 
 C4CHOAO2 	 CCCC(O[O])C=O 	 InChI=1S/C5H9O3/c1-2-3-5(4-6)8-7/h4-5H,2-3H2,1H3 	 117.1232 
 C137CO2H 	 OC(=O)CCC(=C)C1CC(C)(C)C1CCC(=O)O 	 InChI=1S/C14H22O4/c1-9(4-6-12(15)16)10-8-14(2,3)11(10)5-7-13(17)18/h10-11H,1,4-8H2,2-3H3,(H,15,16)(H,17,18) 	 254.3221 
 MTNNCATCO2 	 CCC12OOC(C)(C(=C(O)C2(O)O[O])N(=O)=O)C1ON(=O)=O 	 InChI=1S/C9H11N2O11/c1-3-8-6(19-11(16)17)7(2,21-22-8)4(10(14)15)5(12)9(8,13)20-18/h6,12-13H,3H2,1-2H3 	 323.1904 
 HO2C6O2 	 [O]OC(C)CCC(C)O 	 InChI=1S/C6H13O3/c1-5(7)3-4-6(2)9-8/h5-7H,3-4H2,1-2H3 	 133.1656 
 NC71CO 	 O=C1CC(=O)C(C)(ON(=O)=O)C(=O)C1 	 InChI=1S/C7H7NO6/c1-7(14-8(12)13)5(10)2-4(9)3-6(7)11/h2-3H2,1H3 	 201.1336 
 CHOC4OHO 	 OC(CCC=O)C[O] 	 InChI=1S/C5H9O3/c6-3-1-2-5(8)4-7/h3,5,8H,1-2,4H2 	 117.1232 
 C4ME2OHO2 	 [O]OC(C)(C)C(C)(C)O 	 InChI=1S/C6H13O3/c1-5(2,7)6(3,4)9-8/h7H,1-4H3 	 133.1656 
 C3DIOLOOH 	 OOCC(O)CO 	 InChI=1S/C3H8O4/c4-1-3(5)2-7-6/h3-6H,1-2H2 	 108.0932 
 C45IC5CHO 	 O=CC(=O)C(=O)C(C)C 	 InChI=1S/C6H8O3/c1-4(2)6(9)5(8)3-7/h3-4H,1-2H3 	 128.1259 
 TM124OXMUC 	 O=CC1(C)OC1(C)C=CC(=O)C 	 InChI=1S/C9H12O3/c1-7(11)4-5-8(2)9(3,6-10)12-8/h4-6H,1-3H3 	 168.1898 
 HCOCH2CHO 	 O=CCC=O 	 InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2 	 72.0627 
 PBENZOL 	 CCCc1ccccc1O 	 InChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3 	 136.1910 
 NLIMALOH 	 O=CCC(CCC(=O)C)C(C)(O)CO[N+](=O)[O-] 	 InChI=1S/C10H17NO6/c1-8(13)3-4-9(5-6-12)10(2,14)7-17-11(15)16/h6,9,14H,3-5,7H2,1-2H3 	 247.2451 
 C614NO3 	 OCC(ON(=O)=O)CC(=O)C(=O)C 	 InChI=1S/C6H9NO6/c1-4(9)6(10)2-5(3-8)13-7(11)12/h5,8H,2-3H2,1H3 	 191.1388 
 C74OOH 	 OOC(C)C(=O)C(=O)CC(=O)C 	 InChI=1S/C7H10O5/c1-4(8)3-6(9)7(10)5(2)12-11/h5,11H,3H2,1-2H3 	 174.1513 
 HEX3ONBOOH 	 CCC(=O)C(CC)OO 	 InChI=1S/C6H12O3/c1-3-5(7)6(4-2)9-8/h6,8H,3-4H2,1-2H3 	 132.1577 
 CNO3CLO 	 [O]C(Cl)CON(=O)=O 	 InChI=1S/C2H3ClNO4/c3-2(5)1-8-4(6)7/h2H,1H2 	 140.5025 
 BOXEOHBNO3 	 CCCCOC(CO)ON(=O)=O 	 InChI=1S/C6H13NO5/c1-2-3-4-11-6(5-8)12-7(9)10/h6,8H,2-5H2,1H3 	 179.1711 
 TLBIPERO 	 [O]C1C=CC2(C)OOC1C2O 	 InChI=1S/C7H9O4/c1-7-3-2-4(8)5(6(7)9)10-11-7/h2-6,9H,1H3 	 157.1440 
 M2HEX 	 CCCCC(C)C 	 InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3 	 100.2019 
 MPRANO3O2 	 [O]OC(C)(C)CON(=O)=O 	 InChI=1S/C4H8NO5/c1-4(2,10-8)3-9-5(6)7/h3H2,1-2H3 	 150.1100 
 C518CO3H 	 OCC(C(=C)C)C(=O)OO 	 InChI=1S/C6H10O4/c1-4(2)5(3-7)6(8)10-9/h5,7,9H,1,3H2,2H3 	 146.1412 
 PRNFORMOOH 	 O=COC(OO)C(=O)C 	 InChI=1S/C4H6O5/c1-3(6)4(9-7)8-2-5/h2,4,7H,1H3 	 134.0874 
 NLIMALO2 	 O=CCC(CCC(=O)C)C(C)(O[O])CO[N+](=O)[O-] 	 InChI=1S/C10H16NO7/c1-8(13)3-4-9(5-6-12)10(2,18-16)7-17-11(14)15/h6,9H,3-5,7H2,1-2H3 	 262.2365 
 OXNCATCOOH 	 OOC1(O)C(=C(C)C2(C)OOC1(N(=O)=O)C2O)O 	 InChI=1S/C8H11NO9/c1-3-4(10)8(12,16-15)7(9(13)14)5(11)6(3,2)17-18-7/h5,10-12,15H,1-2H3 	 265.1742 
 ACBUONEBO2 	 [O]OC(OC(=O)C)C(=O)CC 	 InChI=1S/C6H9O5/c1-3-5(8)6(11-9)10-4(2)7/h6H,3H2,1-2H3 	 161.1327 
 CYC6DIONE 	 O=C1CCCCC1=O 	 InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-4H2 	 112.1265 
 ACEC2H4NO3 	 CC(=O)OCCON(=O)=O 	 InChI=1S/C4H7NO5/c1-4(6)9-2-3-10-5(7)8/h2-3H2,1H3 	 149.1021 
 CYC6DIONO 	 [O]C1CCC(=O)C(=O)C1 	 InChI=1S/C6H7O3/c7-4-1-2-5(8)6(9)3-4/h4H,1-3H2 	 127.1180 
 C4ALDB 	 CC=CC=O 	 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 	 70.0898 
 NTMB1FUO2 	 [O]OC1(C)C(C)OC(=O)C1ON(=O)=O 	 InChI=1S/C6H8NO7/c1-3-6(2,14-11)4(5(8)12-3)13-7(9)10/h3-4H,1-2H3 	 206.1302 
 HO13C3CHO 	 OC(CCO)C=O 	 InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h3-5,7H,1-2H2 	 104.1045 
 C85CO3H 	 OOC(=O)C1CC(C(=O)C)C1(C)C 	 InChI=1S/C9H14O4/c1-5(10)6-4-7(8(11)13-12)9(6,2)3/h6-7,12H,4H2,1-3H3 	 186.2051 
 BPINBOOH 	 OOCC1(O)CCC2CC1C2(C)C 	 InChI=1S/C10H18O3/c1-9(2)7-3-4-10(11,6-13-12)8(9)5-7/h7-8,11-12H,3-6H2,1-2H3 	 186.2481 
 MXNCATCOOH 	 OOC1(O)C(=C(N(=O)=O)C2(C)OOC1(C)C2O)O 	 InChI=1S/C8H11NO9/c1-6-3(9(13)14)4(10)8(12,16-15)7(2,5(6)11)18-17-6/h5,10-12,15H,1-2H3 	 265.1742 
 C58NO3CO3 	 [O]OC(=O)C(O)C(C)(CO)ON(=O)=O 	 InChI=1S/C5H8NO8/c1-5(2-7,14-6(10)11)3(8)4(9)13-12/h3,7-8H,2H2,1H3 	 210.1189 
 C811OH 	 OCC1CC(C(=O)O)C1(C)C 	 InChI=1S/C8H14O3/c1-8(2)5(4-9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11) 	 158.1950 
 C101O2 	 CCCCCC(O[O])CC(=O)CC 	 InChI=1S/C10H19O3/c1-3-5-6-7-10(13-12)8-9(11)4-2/h10H,3-8H2,1-2H3 	 187.2561 
 ETHACETOOH 	 CC(OC(=O)C)OO 	 InChI=1S/C4H8O4/c1-3(5)7-4(2)8-6/h4,6H,1-2H3 	 120.1039 
 HM22C3NO3 	 OCC(C)(C)CON(=O)=O 	 InChI=1S/C5H11NO4/c1-5(2,3-7)4-10-6(8)9/h7H,3-4H2,1-2H3 	 149.1451 
 C7DCO 	 CCCC(=O)C([O])C(O)C=O 	 InChI=1S/C7H11O4/c1-2-3-5(9)7(11)6(10)4-8/h4,6-7,10H,2-3H2,1H3 	 159.1598 
 HO12C5 	 CCCC(O)CO 	 InChI=1S/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3 	 104.1476 
 NCRESO2 	 [O]OC1(O)C=CC2(C)OOC1C2ON(=O)=O 	 InChI=1S/C7H8NO8/c1-6-2-3-7(9,15-12)5(14-16-6)4(6)13-8(10)11/h2-5,9H,1H3 	 234.1403 
 C6CO134PAN 	 CCC(=O)C(=O)CC(=O)OON(=O)=O 	 InChI=1S/C6H7NO7/c1-2-4(8)5(9)3-6(10)13-14-7(11)12/h2-3H2,1H3 	 205.1223 
 PE2ENEANO3 	 CCC(ON(=O)=O)C(C)O 	 InChI=1S/C5H11NO4/c1-3-5(4(2)7)10-6(8)9/h4-5,7H,3H2,1-2H3 	 149.1451 
 METLQOH 	 CCC1=CC(=O)C(O)C(C)(O)C1=O 	 InChI=1S/C9H12O4/c1-3-5-4-6(10)8(12)9(2,13)7(5)11/h4,8,12-13H,3H2,1-2H3 	 184.1892 
 MCATEC1O 	 [O]c1c(C)cccc1O 	 InChI=1S/C7H7O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8H,1H3 	 123.1293 
 PXYOLOH 	 CC1=CC(O)(O)C2(C)OOC1C2O 	 InChI=1S/C8H12O5/c1-4-3-8(10,11)7(2)6(9)5(4)12-13-7/h3,5-6,9-11H,1-2H3 	 188.1779 
 CO2C54CO2H 	 CC(=O)CC(C)C(=O)O 	 InChI=1S/C6H10O3/c1-4(6(8)9)3-5(2)7/h4H,3H2,1-2H3,(H,8,9) 	 130.1418 
 METLQO2 	 CCC1=CC(=O)C(O)C(C)(O[O])C1=O 	 InChI=1S/C9H11O5/c1-3-5-4-6(10)8(12)9(2,14-13)7(5)11/h4,8,12H,3H2,1-2H3 	 199.1806 
 PETOLOOH 	 OOC1(O)C=C(C)C2OOC1(CC)C2O 	 InChI=1S/C9H14O6/c1-3-8-7(10)6(13-15-8)5(2)4-9(8,11)14-12/h4,6-7,10-12H,3H2,1-2H3 	 218.2039 
 TC4H9O 	 CC(C)(C)[O] 	 InChI=1S/C4H9O/c1-4(2,3)5/h1-3H3 	 73.1137 
 H3C25CCO2H 	 OC(=O)CC(=O)CC(O)C(=O)C 	 InChI=1S/C7H10O5/c1-4(8)6(10)2-5(9)3-7(11)12/h6,10H,2-3H2,1H3,(H,11,12) 	 174.1513 
 H3C25C6OOH 	 CC(=O)C(O)CC(=O)COO 	 InChI=1S/C6H10O5/c1-4(7)6(9)2-5(8)3-11-10/h6,9-10H,2-3H2,1H3 	 162.1406 
 NCRESOH 	 O=N(=O)OC1C2OOC1(C)C=CC2(O)O 	 InChI=1S/C7H9NO7/c1-6-2-3-7(9,10)5(14-15-6)4(6)13-8(11)12/h2-5,9-10H,1H3 	 219.1489 
 OETHTOL 	 CCc1ccccc1C 	 InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3 	 120.1916 
 C829NO3 	 OCCC(=O)C(=O)CC(C)(C)O[N+](=O)[O-] 	 InChI=1S/C8H13NO6/c1-8(2,15-9(13)14)5-7(12)6(11)3-4-10/h10H,3-5H2,1-2H3 	 219.1919 
 C811O2 	 [O]OCC1CC(C(=O)O)C1(C)C 	 InChI=1S/C8H13O4/c1-8(2)5(4-12-11)3-6(8)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10) 	 173.1864 
 HNMVKO 	 OCC([O])C(=O)CON(=O)=O 	 InChI=1S/C4H6NO6/c6-1-3(7)4(8)2-11-5(9)10/h3,6H,1-2H2 	 164.0935 
 OTNCATECO2 	 CCC1=C(O)C(O)(O[O])C2(OOC1(C)C2O)N(=O)=O 	 InChI=1S/C9H12NO9/c1-3-4-5(11)9(13,17-16)8(10(14)15)6(12)7(4,2)18-19-8/h6,11-13H,3H2,1-2H3 	 278.1929 
 MMF 	 COCOC=O 	 InChI=1S/C3H6O3/c1-5-3-6-2-4/h2H,3H2,1H3 	 90.0779 
 C610NO3 	 OCC(ON(=O)=O)C(C)C(=O)C 	 InChI=1S/C6H11NO5/c1-4(5(2)9)6(3-8)12-7(10)11/h4,6,8H,3H2,1-2H3 	 177.1552 
 NORPINAL 	 O=CC1CC(C(=O)C)C1(C)C 	 InChI=1S/C9H14O2/c1-6(11)8-4-7(5-10)9(8,2)3/h5,7-8H,4H2,1-3H3 	 154.2063 
 C6H5CH2NO3 	 O=N(=O)OCc1ccccc1 	 InChI=1S/C7H7NO3/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2 	 153.1354 
 CLETO2H 	 OC(=O)CCl 	 InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5) 	 94.4970 
 C95OOH 	 CCCC(=O)C(=O)C(OO)C(=O)CC 	 InChI=1S/C9H14O5/c1-3-5-7(11)8(12)9(14-13)6(10)4-2/h9,13H,3-5H2,1-2H3 	 202.2045 
 H3C25C6PAN 	 O=C(OON(=O)=O)CC(=O)CC(O)C(=O)C 	 InChI=1S/C7H9NO8/c1-4(9)6(11)2-5(10)3-7(12)15-16-8(13)14/h6,11H,2-3H2,1H3 	 235.1483 
 DNEBNZLO 	 CCC12OOC(C=C(N(=O)=O)C2([O])O)(N(=O)=O)C1O 	 InChI=1S/C8H9N2O9/c1-2-6-5(11)7(10(16)17,19-18-6)3-4(9(14)15)8(6,12)13/h3,5,11-12H,2H2,1H3 	 277.1651 
 PETOLO 	 CCC12OOC(C(=CC2([O])O)C)C1O 	 InChI=1S/C9H13O5/c1-3-8-7(10)6(13-14-8)5(2)4-9(8,11)12/h4,6-7,10-11H,3H2,1-2H3 	 201.1965 
 C23O3CCO2H 	 OC(=O)COC(=O)C(=O)C 	 InChI=1S/C5H6O5/c1-3(6)5(9)10-2-4(7)8/h2H2,1H3,(H,7,8) 	 146.0981 
 PEANO3 	 CCCCCON(=O)=O 	 InChI=1S/C5H11NO3/c1-2-3-4-5-9-6(7)8/h2-5H2,1H3 	 133.1457 
 HYPROPO2H 	 OCC(C)OO 	 InChI=1S/C3H8O3/c1-3(2-4)6-5/h3-5H,2H2,1H3 	 92.0938 
 METLMUCNO3 	 CCC(=O)C(ON(=O)=O)C(O)C1OC1(C)C=O 	 InChI=1S/C9H13NO7/c1-3-5(12)7(17-10(14)15)6(13)8-9(2,4-11)16-8/h4,6-8,13H,3H2,1-2H3 	 247.2020 
 C9M3CO 	 CCC(=O)C=C(C)C(=O)C(=O)CC 	 InChI=1S/C10H14O3/c1-4-8(11)6-7(3)10(13)9(12)5-2/h6H,4-5H2,1-3H3 	 182.2164 
 T124CATECH 	 Cc1c(C)cc(C)c(O)c1O 	 InChI=1S/C9H12O2/c1-5-4-6(2)8(10)9(11)7(5)3/h4,10-11H,1-3H3 	 152.1904 
 NDMMALYOOH 	 OOC1(C)C(=O)OC(=O)C1(C)ON(=O)=O 	 InChI=1S/C6H7NO8/c1-5(14-7(10)11)3(8)13-4(9)6(5,2)15-12/h12H,1-2H3 	 221.1217 
 INCNCHO 	 O=CC(ON(=O)=O)C(C)(O)CON(=O)=O 	 InChI=1S/C5H8N2O8/c1-5(9,3-14-6(10)11)4(2-8)15-7(12)13/h2,4,9H,3H2,1H3 	 224.1256 
 C7MCO2OOH 	 OOC(C=O)C=CC(=O)C(C)C 	 InChI=1S/C8H12O4/c1-6(2)8(10)4-3-7(5-9)12-11/h3-7,11H,1-2H3 	 172.1785 
 C88CO3H 	 OOC(=O)C1C(=O)CCC(=O)C1(C)C 	 InChI=1S/C9H12O5/c1-9(2)6(11)4-3-5(10)7(9)8(12)14-13/h7,13H,3-4H2,1-2H3 	 200.1886 
 C57O 	 OCC(O)C(C)([O])C=O 	 InChI=1S/C5H9O4/c1-5(9,3-7)4(8)2-6/h3-4,6,8H,2H2,1H3 	 133.1226 
 H3M2C4CO3H 	 OOC(=O)CC(O)C(C)C 	 InChI=1S/C6H12O4/c1-4(2)5(7)3-6(8)10-9/h4-5,7,9H,3H2,1-2H3 	 148.1571 
 OXYBIPENO3 	 O=N(=O)OC1(C)C=CC2OOC1(C)C2O 	 InChI=1S/C8H11NO6/c1-7(14-9(11)12)4-3-5-6(10)8(7,2)15-13-5/h3-6,10H,1-2H3 	 217.1760 
 DMEBMUOOH 	 CCC(=O)C(O)C(C)(OO)C1OC1(C)C=O 	 InChI=1S/C10H16O6/c1-4-6(12)7(13)10(3,16-14)8-9(2,5-11)15-8/h5,7-8,13-14H,4H2,1-3H3 	 232.2304 
 NC61CO3H 	 O=CC(=O)CC(=O)C(C)(ON(=O)=O)C(=O)OO 	 InChI=1S/C7H7NO9/c1-7(6(12)16-15,17-8(13)14)5(11)2-4(10)3-9/h3,15H,2H2,1H3 	 249.1318 
 C517OOH 	 OOCC(CO)C(=O)C 	 InChI=1S/C5H10O4/c1-4(7)5(2-6)3-9-8/h5-6,8H,2-3H2,1H3 	 134.1305 
 CHOBR 	 BrC=O 	 InChI=1S/CHBrO/c2-1-3/h1H 	 108.9220 
 MTNNCATCO 	 CCC12OOC(C)(C(=C(O)C2([O])O)N(=O)=O)C1ON(=O)=O 	 InChI=1S/C9H11N2O10/c1-3-8-6(19-11(17)18)7(2,20-21-8)4(10(15)16)5(12)9(8,13)14/h6,12-13H,3H2,1-2H3 	 307.1910 
 C89PAN 	 O=CCC1CC(C(=O)OON(=O)=O)C1(C)C 	 InChI=1S/C9H13NO6/c1-9(2)6(3-4-11)5-7(9)8(12)15-16-10(13)14/h4,6-7H,3,5H2,1-2H3 	 231.2026 
 C52NO31OOH 	 CCCC(COO)ON(=O)=O 	 InChI=1S/C5H11NO5/c1-2-3-5(4-10-9)11-6(7)8/h5,9H,2-4H2,1H3 	 165.1445 
 NT124L1OOH 	 OOc1c(C)cc(N(=O)=O)c(C)c1C 	 InChI=1S/C9H11NO4/c1-5-4-8(10(11)12)6(2)7(3)9(5)14-13/h4,13H,1-3H3 	 197.1879 
 CHOC4DOLO 	 OCC(O)CC([O])C=O 	 InChI=1S/C5H9O4/c6-2-4(8)1-5(9)3-7/h2,4-5,7,9H,1,3H2 	 133.1226 
 C134OOH 	 OCCC(=O)C(=O)C(OO)C(C)(C)C(=O)CCC(=O)C 	 InChI=1S/C13H20O7/c1-8(15)4-5-10(17)13(2,3)12(20-19)11(18)9(16)6-7-14/h12,14,19H,4-7H2,1-3H3 	 288.2937 
 C734O 	 OCC(CC([O])C(=O)O)C(=O)C 	 InChI=1S/C7H11O5/c1-4(9)5(3-8)2-6(10)7(11)12/h5-6,8H,2-3H2,1H3,(H,11,12) 	 175.1592 
 C2H5O 	 CC[O] 	 InChI=1S/C2H5O/c1-2-3/h2H2,1H3 	 45.0605 
 APINOOB 	 [O-][O+]=CCC1CC(C(=O)C)C1(C)C 	 InChI=1S/C10H16O3/c1-7(11)9-6-8(4-5-13-12)10(9,2)3/h5,8-9H,4,6H2,1-3H3 	 184.2322 
 APINOOA 	 O=CCC1CC(C(=[O+][O-])C)C1(C)C 	 InChI=1S/C10H16O3/c1-7(13-12)9-6-8(4-5-11)10(9,2)3/h5,8-9H,4,6H2,1-3H3 	 184.2322 
 C3M3OH2CO3 	 [O]OC(=O)C(O)C(C)C 	 InChI=1S/C5H9O4/c1-3(2)4(6)5(7)9-8/h3-4,6H,1-2H3 	 133.1226 
 NDNMXYOLO 	 O=N(=O)OC1C2(OOC1(C)C([O])(O)C(=C2N(=O)=O)C)N(=O)=O 	 InChI=1S/C8H8N3O11/c1-3-4(9(14)15)7(10(16)17)5(20-11(18)19)6(2,21-22-7)8(3,12)13/h5,12H,1-2H3 	 322.1626 
 C113OOH 	 CCCCCC(O)C(OO)CC(=O)CC 	 InChI=1S/C11H22O4/c1-3-5-6-7-10(13)11(15-14)8-9(12)4-2/h10-11,13-14H,3-8H2,1-2H3 	 218.2900 
 HO7CO10C12 	 CCCCCCC(O)CCC(=O)CC 	 InChI=1S/C12H24O2/c1-3-5-6-7-8-12(14)10-9-11(13)4-2/h12,14H,3-10H2,1-2H3 	 200.3178 
 DNPHENOOH 	 OOC1(O)C(=CC2(OOC1C2O)N(=O)=O)N(=O)=O 	 InChI=1S/C6H6N2O10/c9-3-4-6(10,17-15)2(7(11)12)1-5(3,8(13)14)18-16-4/h1,3-4,9-10,15H 	 266.1192 
 ECO4 	 CCC(=O)C(=O)C(=O)C=O 	 InChI=1S/C6H6O4/c1-2-4(8)6(10)5(9)3-7/h3H,2H2,1H3 	 142.1094 
 C62CO3 	 [O]OC(=O)C(O)C(=O)C(=O)C(C)C 	 InChI=1S/C7H9O6/c1-3(2)4(8)5(9)6(10)7(11)13-12/h3,6,10H,1-2H3 	 189.1428 
 H2M4C65OOH 	 OOC(C)C(C)CC(C)O 	 InChI=1S/C7H16O3/c1-5(4-6(2)8)7(3)10-9/h5-9H,4H2,1-3H3 	 148.2001 
 C518CO3 	 OCC(C(=C)C)C(=O)O[O] 	 InChI=1S/C6H9O4/c1-4(2)5(3-7)6(8)10-9/h5,7H,1,3H2,2H3 	 145.1333 
 NBUACAOOH 	 OOC(C)CCOC(=O)C 	 InChI=1S/C6H12O4/c1-5(10-8)3-4-9-6(2)7/h5,8H,3-4H2,1-2H3 	 148.1571 
 C148O 	 O=CCC([O])C(=O)C1CC(C)(C)C1CCC(=O)OC 	 InChI=1S/C14H21O5/c1-14(2)8-9(13(18)11(16)6-7-15)10(14)4-5-12(17)19-3/h7,9-11H,4-6,8H2,1-3H3 	 269.1388 
 C103OOH 	 CCCCC(O)C(OO)CC(=O)CC 	 InChI=1S/C10H20O4/c1-3-5-6-9(12)10(14-13)7-8(11)4-2/h9-10,12-13H,3-7H2,1-2H3 	 204.2634 
 ME3BUT1ENE 	 C=CC(C)C 	 InChI=1S/C5H10/c1-4-5(2)3/h4-5H,1H2,2-3H3 	 70.1329 
 H13CO2CO3H 	 OCC(=O)C(O)C(=O)OO 	 InChI=1S/C4H6O6/c5-1-2(6)3(7)4(8)10-9/h3,5,7,9H,1H2 	 150.0868 
 IPRCHO 	 O=CC(C)C 	 InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3 	 72.1057 
 C516OOH 	 OCC(OO)CC(=O)C(=O)O 	 InChI=1S/C5H8O6/c6-2-3(11-10)1-4(7)5(8)9/h3,6,10H,1-2H2,(H,8,9) 	 164.1134 
 CO24C6O 	 CC(=O)CC(=O)C(C)[O] 	 InChI=1S/C6H9O3/c1-4(7)3-6(9)5(2)8/h5H,3H2,1-2H3 	 129.1339 
 DNMETOLOOH 	 CCC1=C(N(=O)=O)C2(OOC(C)(C2O)C1(O)OO)N(=O)=O 	 InChI=1S/C9H12N2O10/c1-3-4-5(10(14)15)8(11(16)17)6(12)7(2,20-21-8)9(4,13)19-18/h6,12-13,18H,3H2,1-2H3 	 308.1990 
 C65NO36O2 	 CCCCC(CO[O])ON(=O)=O 	 InChI=1S/C6H12NO5/c1-2-3-4-6(5-11-10)12-7(8)9/h6H,2-5H2,1H3 	 178.1632 
 PHCHOO 	 [O-][O+]=Cc1ccccc1 	 InChI=1S/C7H6O2/c8-9-6-7-4-2-1-3-5-7/h1-6H 	 122.1213 
 IECCHO 	 CC1(CO1)C(O)C=O 	 InChI=1S/C5H8O3/c1-5(3-8-5)4(7)2-6/h2,4,7H,3H2,1H3 	 116.1152 
 M3PEAOOH 	 CC(CCOO)CC 	 InChI=1S/C6H14O2/c1-3-6(2)4-5-8-7/h6-7H,3-5H2,1-2H3 	 118.1742 
 M3PEBOOH 	 CCC(C)C(C)OO 	 InChI=1S/C6H14O2/c1-4-5(2)6(3)8-7/h5-7H,4H2,1-3H3 	 118.1742 
 MC3CODBPAN 	 O=CC=C(C)C(=O)OON(=O)=O 	 InChI=1S/C5H5NO6/c1-4(2-3-7)5(8)11-12-6(9)10/h2-3H,1H3 	 175.0963 
 IPROMC2NO3 	 CC(C)OC(C)CON(=O)=O 	 InChI=1S/C6H13NO4/c1-5(2)11-6(3)4-10-7(8)9/h5-6H,4H2,1-3H3 	 163.1717 
 OETLBPR2OH 	 CCC1(O)C=CC2OOC1(C)C2O 	 InChI=1S/C9H14O4/c1-3-9(11)5-4-6-7(10)8(9,2)13-12-6/h4-7,10-11H,3H2,1-2H3 	 186.2051 
 OETLBIPNO3 	 CCC1(C=CC2OOC1(C)C2O)ON(=O)=O 	 InChI=1S/C9H13NO6/c1-3-9(15-10(12)13)5-4-6-7(11)8(9,2)16-14-6/h4-7,11H,3H2,1-2H3 	 231.2026 
 C5O45OHCO3 	 CCCC(=O)C(O)C(=O)O[O] 	 InChI=1S/C6H9O5/c1-2-3-4(7)5(8)6(9)11-10/h5,8H,2-3H2,1H3 	 161.1327 
 HO3C5CHO 	 CCC(O)CCC=O 	 InChI=1S/C6H12O2/c1-2-6(8)4-3-5-7/h5-6,8H,2-4H2,1H3 	 116.1583 
 PROL11MO2 	 CC(O)(CO[O])CC 	 InChI=1S/C5H11O3/c1-3-5(2,6)4-8-7/h6H,3-4H2,1-2H3 	 119.1390 
 MALANHYO2 	 [O]OC1C(=O)OC(=O)C1O 	 InChI=1S/C4H3O6/c5-1-2(10-8)4(7)9-3(1)6/h1-2,5H 	 147.0630 
 DMEPHOLOOH 	 CCC12OOC(C)(C=C(C)C2(O)OO)C1O 	 InChI=1S/C10H16O6/c1-4-9-7(11)8(3,15-16-9)5-6(2)10(9,12)14-13/h5,7,11-13H,4H2,1-3H3 	 232.2304 
 NDMMALYO2 	 [O]OC1(C)C(=O)OC(=O)C1(C)ON(=O)=O 	 InChI=1S/C6H6NO8/c1-5(14-7(10)11)3(8)13-4(9)6(5,2)15-12/h1-2H3 	 220.1137 
 NPBFUO2 	 CCCC1OC(=O)C(O[O])C1ON(=O)=O 	 InChI=1S/C7H10NO7/c1-2-3-4-5(14-8(10)11)6(15-12)7(9)13-4/h4-6H,2-3H2,1H3 	 220.1568 
 LMKBO2 	 [O]OC1CC(CCC1(C)O)C(=O)C 	 InChI=1S/C9H15O4/c1-6(10)7-3-4-9(2,11)8(5-7)13-12/h7-8,11H,3-5H2,1-2H3 	 187.2130 
 CO25C6O2 	 [O]OC(CC(=O)C)C(=O)C 	 InChI=1S/C6H9O4/c1-4(7)3-6(10-9)5(2)8/h6H,3H2,1-2H3 	 145.1333 
 HO13C4NO3 	 OCCC(O)CON(=O)=O 	 InChI=1S/C4H9NO5/c6-2-1-4(7)3-10-5(8)9/h4,6-7H,1-3H2 	 151.1180 
 C4DBDIKET 	 CC(=O)C=CC(=O)C 	 InChI=1S/C6H8O2/c1-5(7)3-4-6(2)8/h3-4H,1-2H3 	 112.1265 
 APINBCO 	 O=C1CC2CC(C2(C)C)C1(C)O 	 InChI=1S/C10H16O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-7,12H,4-5H2,1-3H3 	 168.2328 
 TLFUONE 	 CC1C=CC(=O)O1 	 InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3 	 98.0999 
 C64OH5OOH 	 CC(OO)C(O)CCC 	 InChI=1S/C6H14O3/c1-3-4-6(7)5(2)9-8/h5-8H,3-4H2,1-2H3 	 134.1736 
 C617CHO 	 O=CCC(=O)C(C)(C)C=O 	 InChI=1S/C7H10O3/c1-7(2,5-9)6(10)3-4-8/h4-5H,3H2,1-2H3 	 142.1525 
 C136NO3 	 O=CCCC(=C)C1CC(C)(C)C1CCO[N+](=O)[O-] 	 InChI=1S/C13H21NO4/c1-10(5-4-7-15)11-9-13(2,3)12(11)6-8-18-14(16)17/h7,11-12H,1,4-6,8-9H2,2-3H3 	 255.3101 
 MMALNHYOOH 	 CC1(OO)C(O)C(=O)OC1=O 	 InChI=1S/C5H6O6/c1-5(11-9)2(6)3(7)10-4(5)8/h2,6,9H,1H3 	 162.0975 
 NC4H9O2 	 CCCCO[O] 	 InChI=1S/C4H9O2/c1-2-3-4-6-5/h2-4H2,1H3 	 89.1131 
 CO25C6OH 	 CC(=O)CC(O)C(=O)C 	 InChI=1S/C6H10O3/c1-4(7)3-6(9)5(2)8/h6,9H,3H2,1-2H3 	 130.1418 
 LMKBOO 	 [O-][O+]=CCC(CCC(=O)C)C(=O)C 	 InChI=1S/C9H14O4/c1-7(10)3-4-9(8(2)11)5-6-13-12/h6,9H,3-5H2,1-2H3 	 186.2051 
 CO234C6OOH 	 CC(OO)C(=O)C(=O)C(=O)C 	 InChI=1S/C6H8O5/c1-3(7)5(8)6(9)4(2)11-10/h4,10H,1-2H3 	 160.1247 
 C3DBCO3H 	 CC=CC(=O)OO 	 InChI=1S/C4H6O3/c1-2-3-4(5)7-6/h2-3,6H,1H3 	 102.0886 
 C7BDICARB 	 CC(=O)C=C(C)C(=O)C 	 InChI=1S/C7H10O2/c1-5(7(3)9)4-6(2)8/h4H,1-3H3 	 126.1531 
 PETLBIPNO3 	 CCC12OOC(C2O)C(C)(C=C1)ON(=O)=O 	 InChI=1S/C9H13NO6/c1-3-9-5-4-8(2,15-10(12)13)7(6(9)11)14-16-9/h4-7,11H,3H2,1-2H3 	 231.2026 
 C525O 	 OCC(=O)C([O])(CO)CO 	 InChI=1S/C5H9O5/c6-1-4(9)5(10,2-7)3-8/h6-8H,1-3H2 	 149.1220 
 MTBKOOH 	 OOCC(C)(C)C(=O)C 	 InChI=1S/C6H12O3/c1-5(7)6(2,3)4-9-8/h8H,4H2,1-3H3 	 132.1577 
 C52OH1OOH 	 CCCC(O)COO 	 InChI=1S/C5H12O3/c1-2-3-5(6)4-8-7/h5-7H,2-4H2,1H3 	 120.1470 
 HO24C5OOH 	 OOCC(O)CC(C)O 	 InChI=1S/C5H12O4/c1-4(6)2-5(7)3-9-8/h4-8H,2-3H2,1H3 	 136.1464 
 HO3C96NO3 	 CCCC(CCC(O)CC)ON(=O)=O 	 InChI=1S/C9H19NO4/c1-3-5-9(14-10(12)13)7-6-8(11)4-2/h8-9,11H,3-7H2,1-2H3 	 205.2515 
 GAOO 	 [O-][O+]=CCO 	 InChI=1S/C2H4O3/c3-1-2-5-4/h2-3H,1H2 	 76.0514 
 BOXCOCHOO 	 CCCC([O])OC(=O)C=O 	 InChI=1S/C6H9O4/c1-2-3-5(8)10-6(9)4-7/h4-5H,2-3H2,1H3 	 145.1333 
 PXYLCO3H 	 OOC(=O)c1ccc(C)cc1 	 InChI=1S/C8H8O3/c1-6-2-4-7(5-3-6)8(9)11-10/h2-5,10H,1H3 	 152.1473 
 BUT2OLNO3 	 O=N(=O)OC(C)C(C)O 	 InChI=1S/C4H9NO4/c1-3(6)4(2)9-5(7)8/h3-4,6H,1-2H3 	 135.1186 
 T124CT1OOH 	 OOc1c(C)c(C)cc(C)c1O 	 InChI=1S/C9H12O3/c1-5-4-6(2)8(10)9(12-11)7(5)3/h4,10-11H,1-3H3 	 168.1898 
 M3C4CO3H 	 CC(CC(=O)OO)CC 	 InChI=1S/C6H12O3/c1-3-5(2)4-6(7)9-8/h5,8H,3-4H2,1-2H3 	 132.1577 
 C628O 	 O=CCC([O])(CO)C(=O)C 	 InChI=1S/C6H9O4/c1-5(9)6(10,4-8)2-3-7/h3,8H,2,4H2,1H3 	 145.1333 
 C51O2 	 OCC(O[O])CC(=O)C 	 InChI=1S/C5H9O4/c1-4(7)2-5(3-6)9-8/h5-6H,2-3H2,1H3 	 133.1226 
 IECPAN 	 O=N(=O)OOC(=O)C(O)C1(C)OC1 	 InChI=1S/C5H7NO7/c1-5(2-11-5)3(7)4(8)12-13-6(9)10/h3,7H,2H2,1H3 	 193.1116 
 HIEB1O 	 OCC(O)C([O])(CO)C=O 	 InChI=1S/C5H9O5/c6-1-4(9)5(10,2-7)3-8/h2,4,6,8-9H,1,3H2 	 149.1220 
 INB1HPCO3H 	 OOC(=O)C(OO)C(C)(CO)ON(=O)=O 	 InChI=1S/C5H9NO9/c1-5(2-7,15-6(9)10)3(13-11)4(8)14-12/h3,7,11-12H,2H2,1H3 	 227.1263 
 BPINENE 	 C=C1CCC2CC1C2(C)C 	 InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3 	 136.2340 
 C107OOH 	 O=CCC1CC(OO)(C(=O)C)C1(C)C 	 InChI=1S/C10H16O4/c1-7(12)10(14-13)6-8(4-5-11)9(10,2)3/h5,8,13H,4,6H2,1-3H3 	 200.2316 
 C51OH 	 CC(=O)CC(O)CO 	 InChI=1S/C5H10O3/c1-4(7)2-5(8)3-6/h5-6,8H,2-3H2,1H3 	 118.1311 
 LMLKBO 	 O=CCC(CCC(=O)C[O])C(=O)C 	 InChI=1S/C9H13O4/c1-7(12)8(4-5-10)2-3-9(13)6-11/h5,8H,2-4,6H2,1H3 	 185.1971 
 CH2CLO2 	 [O]OCCl 	 InChI=1S/CH2ClO2/c2-1-4-3/h1H2 	 81.4784 
 C142OH 	 OCCC(=C)C1(O)CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H24O3/c1-10(7-8-15)14(17)9-13(3,4)12(14)6-5-11(2)16/h12,15,17H,1,5-9H2,2-4H3 	 240.3386 
 MMALNBPAN 	 O=CC(O)C(C)(ON(=O)=O)C(=O)OON(=O)=O 	 InChI=1S/C5H6N2O10/c1-5(3(9)2-8,16-6(11)12)4(10)15-17-7(13)14/h2-3,9H,1H3 	 254.1085 
 PBFUO 	 CCCC1OC(=O)C([O])C1O 	 InChI=1S/C7H11O4/c1-2-3-4-5(8)6(9)7(10)11-4/h4-6,8H,2-3H2,1H3 	 159.1598 
 C3ME3CHO 	 O=CCC(C)C 	 InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3 	 86.1323 
 MXYFUOOH 	 CC1(OO)C(O)C(C)OC1=O 	 InChI=1S/C6H10O5/c1-3-4(7)6(2,11-9)5(8)10-3/h3-4,7,9H,1-2H3 	 162.1406 
 CHOC2CO2H 	 O=CCCC(=O)O 	 InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7) 	 102.0886 
 MEKCO 	 CCC(=O)C[O] 	 InChI=1S/C4H7O2/c1-2-4(6)3-5/h2-3H2,1H3 	 87.0972 
 C618CO3H 	 O=CCC(=O)C(C)(C)C(=O)OO 	 InChI=1S/C7H10O5/c1-7(2,6(10)12-11)5(9)3-4-8/h4,11H,3H2,1-2H3 	 174.1513 
 C613O 	 OCC([O])C(C)(O)C(=O)C 	 InChI=1S/C6H11O4/c1-4(8)6(2,10)5(9)3-7/h5,7,10H,3H2,1-2H3 	 147.1491 
 C612O2 	 [O]OCC(=O)C(C)(C)CO 	 InChI=1S/C6H11O4/c1-6(2,4-7)5(8)3-10-9/h7H,3-4H2,1-2H3 	 147.1491 
 EMALANHYO 	 CCC1([O])C(=O)OC(=O)C1O 	 InChI=1S/C6H7O5/c1-2-6(10)3(7)4(8)11-5(6)9/h3,7H,2H2,1H3 	 159.1168 
 PHENOOH 	 OOC1(O)C=CC2OOC1C2O 	 InChI=1S/C6H8O6/c7-4-3-1-2-6(8,12-9)5(4)11-10-3/h1-5,7-9H 	 176.1241 
 CHCL2CL2O 	 ClC(Cl)C([O])(Cl)Cl 	 InChI=1S/C2HCl4O/c3-1(4)2(5,6)7/h1H 	 182.8407 
 NPETOLO 	 CCC12OOC(C(=CC2(O)[O])C)C1ON(=O)=O 	 InChI=1S/C9H12NO7/c1-3-8-7(15-10(13)14)6(16-17-8)5(2)4-9(8,11)12/h4,6-7,11H,3H2,1-2H3 	 246.1941 
 ETOMECO2H 	 CCOCC(=O)O 	 InChI=1S/C4H8O3/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6) 	 104.1045 
 C5124COCO3 	 [O]OC(=O)CC(=O)CC(=O)C=O 	 InChI=1S/C6H5O6/c7-3-5(9)1-4(8)2-6(10)12-11/h3H,1-2H2 	 173.1003 
 BCBO 	 C=C1CCC([O])C(C)(O)CCC2C1CC2(C)C 	 InChI=1S/C15H25O2/c1-10-5-6-13(16)15(4,17)8-7-12-11(10)9-14(12,2)3/h11-13,17H,1,5-9H2,2-4H3 	 237.3578 
 COHM2CO3 	 CC(O)(C=O)C(=O)O[O] 	 InChI=1S/C4H5O5/c1-4(7,2-5)3(6)9-8/h2,7H,1H3 	 133.0795 
 CH3CHCLOOH 	 CC(Cl)OO 	 InChI=1S/C2H5ClO2/c1-2(3)5-4/h2,4H,1H3 	 96.5129 
 C4M22CONO3 	 O=CC(C)(ON(=O)=O)C(=O)C 	 InChI=1S/C5H7NO5/c1-4(8)5(2,3-7)11-6(9)10/h3H,1-2H3 	 161.1128 
 LIMKET 	 CC1=CCC(CC1)C(=O)C 	 InChI=1S/C9H14O/c1-7-3-5-9(6-4-7)8(2)10/h3,9H,4-6H2,1-2H3 	 138.2069 
 HO2C43CHO 	 CC(C=O)C(C)O 	 InChI=1S/C5H10O2/c1-4(3-6)5(2)7/h3-5,7H,1-2H3 	 102.1317 
 METOH 	 CCc1cccc(C)c1O 	 InChI=1S/C9H12O/c1-3-8-6-4-5-7(2)9(8)10/h4-6,10H,3H2,1-2H3 	 136.1910 
 PETLPOXMUC 	 CC1(OC1C=O)C=CC(=O)CC 	 InChI=1S/C9H12O3/c1-3-7(11)4-5-9(2)8(6-10)12-9/h4-6,8H,3H2,1-2H3 	 168.1898 
 C53NO32CO 	 CCC(ON(=O)=O)C(=O)C 	 InChI=1S/C5H9NO4/c1-3-5(4(2)7)10-6(8)9/h5H,3H2,1-2H3 	 147.1293 
 C514NO3 	 O=CCC(CC=O)ON(=O)=O 	 InChI=1S/C5H7NO5/c7-3-1-5(2-4-8)11-6(9)10/h3-5H,1-2H2 	 161.1128 
 PPEN 	 CCCCC(=O)OON(=O)=O 	 InChI=1S/C5H9NO5/c1-2-3-4-5(7)10-11-6(8)9/h2-4H2,1H3 	 163.1287 
 C612OH 	 OCC(=O)C(C)(C)CO 	 InChI=1S/C6H12O3/c1-6(2,4-8)5(9)3-7/h7-8H,3-4H2,1-2H3 	 132.1577 
 NC4H10 	 CCCC 	 InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3 	 58.1222 
 C76O 	 [O]CC(=O)CC(O)C(C)C 	 InChI=1S/C7H13O3/c1-5(2)7(10)3-6(9)4-8/h5,7,10H,3-4H2,1-2H3 	 145.1763 
 MO2EOLANO3 	 OCC(OC)ON(=O)=O 	 InChI=1S/C3H7NO5/c1-8-3(2-5)9-4(6)7/h3,5H,2H2,1H3 	 137.0914 
 DMPHOHNO2 	 Cc1cc(C)c(N(=O)=O)c(O)c1 	 InChI=1S/C8H9NO3/c1-5-3-6(2)8(9(11)12)7(10)4-5/h3-4,10H,1-2H3 	 167.1620 
 EOCOCHO 	 CCOC(=O)C=O 	 InChI=1S/C4H6O3/c1-2-7-4(6)3-5/h3H,2H2,1H3 	 102.0886 
 IPEBOH 	 CC(O)C(C)C 	 InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3 	 88.1482 
 OETOLOOH 	 CCC12OOC(C2O)C(O)(OO)C=C1C 	 InChI=1S/C9H14O6/c1-3-8-5(2)4-9(11,14-12)7(6(8)10)13-15-8/h4,6-7,10-12H,3H2,1-2H3 	 218.2039 
 ACCOPRONE 	 CC(=O)CC(=O)OC(=O)C 	 InChI=1S/C6H8O4/c1-4(7)3-6(9)10-5(2)8/h3H2,1-2H3 	 144.1253 
 C523OH 	 CCC(O)C(C)O 	 InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3 	 104.1476 
 CHCL2CL2O2 	 [O]OC(Cl)(Cl)C(Cl)Cl 	 InChI=1S/C2HCl4O2/c3-1(4)2(5,6)8-7/h1H 	 198.8401 
 M2PECOH 	 CCC(O)C(C)C 	 InChI=1S/C6H14O/c1-4-6(7)5(2)3/h5-7H,4H2,1-3H3 	 102.1748 
 H13M3CO4C5 	 CC(O)(CCO)C(=O)C 	 InChI=1S/C6H12O3/c1-5(8)6(2,9)3-4-7/h7,9H,3-4H2,1-2H3 	 132.1577 
 NC826O 	 O=CCC(CC=O)C(C)([O])CO[N+](=O)[O-] 	 InChI=1S/C8H12NO6/c1-8(12,6-15-9(13)14)7(2-4-10)3-5-11/h4-5,7H,2-3,6H2,1H3 	 218.1840 
 COHM2PAN 	 O=CC(C)(O)C(=O)OON(=O)=O 	 InChI=1S/C4H5NO7/c1-4(8,2-6)3(7)11-12-5(9)10/h2,8H,1H3 	 179.0850 
 CO45C5CHO 	 CCCC(=O)C(=O)C=O 	 InChI=1S/C6H8O3/c1-2-3-5(8)6(9)4-7/h4H,2-3H2,1H3 	 128.1259 
 CHOOCH2O2 	 [O]OCOC=O 	 InChI=1S/C2H3O4/c3-1-5-2-6-4/h1H,2H2 	 91.0428 
 C98O 	 OCC(CC(=O)C(=O)C)C(C)(C)[O] 	 InChI=1S/C9H15O4/c1-6(11)8(12)4-7(5-10)9(2,3)13/h7,10H,4-5H2,1-3H3 	 187.2130 
 C7BDCO2 	 [O]OC(C)(C(=O)C)C(O)C(=O)C 	 InChI=1S/C7H11O5/c1-4(8)6(10)7(3,12-11)5(2)9/h6,10H,1-3H3 	 175.1592 
 C64OH5NO3 	 CCCC(O)C(C)ON(=O)=O 	 InChI=1S/C6H13NO4/c1-3-4-6(8)5(2)11-7(9)10/h5-6,8H,3-4H2,1-2H3 	 163.1717 
 C7BDCOH 	 CC(=O)C(O)C(C)(O)C(=O)C 	 InChI=1S/C7H12O4/c1-4(8)6(10)7(3,11)5(2)9/h6,10-11H,1-3H3 	 160.1678 
 NMBOBO2 	 [O]OCC(ON(=O)=O)C(C)(C)O 	 InChI=1S/C5H10NO6/c1-5(2,7)4(3-11-10)12-6(8)9/h4,7H,3H2,1-2H3 	 180.1360 
 CHOOCH2OH 	 OCOC=O 	 InChI=1S/C2H4O3/c3-1-5-2-4/h1,4H,2H2 	 76.0514 
 CH3COCCLO2 	 CC(=O)C(Cl)O[O] 	 InChI=1S/C3H4ClO3/c1-2(5)3(4)7-6/h3H,1H3 	 123.5151 
 CHCL2CH2O2 	 [O]OCC(Cl)Cl 	 InChI=1S/C2H3Cl2O2/c3-2(4)1-6-5/h2H,1H2 	 129.9500 
 IBUTDIAL 	 O=CC(C)C=O 	 InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3 	 86.0892 
 PBZBIPERO 	 CCCC12OOC(C2O)C([O])C=C1 	 InChI=1S/C9H13O4/c1-2-4-9-5-3-6(10)7(8(9)11)12-13-9/h3,5-8,11H,2,4H2,1H3 	 185.1971 
 M2PECO2 	 CCC(O[O])C(C)C 	 InChI=1S/C6H13O2/c1-4-6(8-7)5(2)3/h5-6H,4H2,1-3H3 	 117.1662 
 CHCL2CL2OH 	 ClC(Cl)C(O)(Cl)Cl 	 InChI=1S/C2H2Cl4O/c3-1(4)2(5,6)7/h1,7H 	 183.8487 
 C729CO3H 	 O=CCC(CC(=O)OO)C(=C)C 	 InChI=1S/C8H12O4/c1-6(2)7(3-4-9)5-8(10)12-11/h4,7,11H,1,3,5H2,2H3 	 172.1785 
 IPEBO2 	 [O]OC(C)C(C)C 	 InChI=1S/C5H11O2/c1-4(2)5(3)7-6/h4-5H,1-3H3 	 103.1396 
 PRPAL2CO3H 	 CC(C=O)C(=O)OO 	 InChI=1S/C4H6O4/c1-3(2-5)4(6)8-7/h2-3,7H,1H3 	 118.0880 
 ETACETOH 	 CC(=O)OCCO 	 InChI=1S/C4H8O3/c1-4(6)7-3-2-5/h5H,2-3H2,1H3 	 104.1045 
 C1310CO 	 OCCC(=C)C(=O)CC(C)(C)C(=O)CCC(=O)O 	 InChI=1S/C13H20O5/c1-9(6-7-14)10(15)8-13(2,3)11(16)4-5-12(17)18/h14H,1,4-8H2,2-3H3,(H,17,18) 	 256.2949 
 LIMALNO3 	 O=CCC(CCC(=O)C)C(C)(CO)O[N+](=O)[O-] 	 InChI=1S/C10H17NO6/c1-8(14)3-4-9(5-6-12)10(2,7-13)17-11(15)16/h6,9,13H,3-5,7H2,1-2H3 	 247.2451 
 UDECOOH 	 CCCCCCCCC(CC)OO 	 InChI=1S/C11H24O2/c1-3-5-6-7-8-9-10-11(4-2)13-12/h11-12H,3-10H2,1-2H3 	 188.3071 
 CO356OCO 	 CC([O])C(=O)OC(=O)C(=O)C 	 InChI=1S/C6H7O5/c1-3(7)5(9)11-6(10)4(2)8/h3H,1-2H3 	 159.1168 
 C84OOH 	 CCC(=O)CC(OO)C(=O)CC 	 InChI=1S/C8H14O4/c1-3-6(9)5-8(12-11)7(10)4-2/h8,11H,3-5H2,1-2H3 	 174.1944 
 HO2M2C4O2 	 [O]OCCC(C)(C)O 	 InChI=1S/C5H11O3/c1-5(2,6)3-4-8-7/h6H,3-4H2,1-2H3 	 119.1390 
 NC4H9NO3 	 CCCCON(=O)=O 	 InChI=1S/C4H9NO3/c1-2-3-4-8-5(6)7/h2-4H2,1H3 	 119.1192 
 CH3CCH3OOA 	 [O-][O+]=C(C)C 	 InChI=1S/C3H6O2/c1-3(2)5-4/h1-2H3 	 74.0785 
 NMXYOL1O 	 Cc1cc(C)c([O])c(c1)N(=O)=O 	 InChI=1S/C8H8NO3/c1-5-3-6(2)8(10)7(4-5)9(11)12/h3-4H,1-2H3 	 166.1540 
 NC102O2 	 [O]OC(C)(C)C1CC(=O)CC(=O)C1(C)ON(=O)=O 	 InChI=1S/C10H14NO7/c1-9(2,18-16)7-4-6(12)5-8(13)10(7,3)17-11(14)15/h7H,4-5H2,1-3H3 	 260.2207 
 ACCOMCOMO 	 CC(=O)OC(=O)CC(=O)C[O] 	 InChI=1S/C6H7O5/c1-4(8)11-6(10)2-5(9)3-7/h2-3H2,1H3 	 159.1168 
 CL12PRBO 	 ClCC(C)([O])Cl 	 InChI=1S/C3H5Cl2O/c1-3(5,6)2-4/h2H2,1H3 	 127.9772 
 IPBFUONE 	 O=C1C=CC(O1)C(C)C 	 InChI=1S/C7H10O2/c1-5(2)6-3-4-7(8)9-6/h3-6H,1-2H3 	 126.1531 
 NAPINAOOH 	 OOC1(C)C(ON(=O)=O)CC2CC1C2(C)C 	 InChI=1S/C10H17NO5/c1-9(2)6-4-7(9)10(3,16-14)8(5-6)15-11(12)13/h6-8,14H,4-5H2,1-3H3 	 231.2457 
 C101O 	 CCCCCC([O])CC(=O)CC 	 InChI=1S/C10H19O2/c1-3-5-6-7-10(12)8-9(11)4-2/h10H,3-8H2,1-2H3 	 171.2567 
 NLIMO 	 [O-][N+](=O)OC1CC(CCC1(C)[O])C(=C)C 	 InChI=1S/C10H16NO4/c1-7(2)8-4-5-10(3,12)9(6-8)15-11(13)14/h8-9H,1,4-6H2,2-3H3 	 214.2383 
 LIMALO2 	 O=CCC(CCC(=O)C)C(C)(CO)O[O] 	 InChI=1S/C10H17O5/c1-8(13)3-4-9(5-6-11)10(2,7-12)15-14/h6,9,12H,3-5,7H2,1-2H3 	 217.2390 
 C72OH 	 CCC(=O)CC(O)C(C)O 	 InChI=1S/C7H14O3/c1-3-6(9)4-7(10)5(2)8/h5,7-8,10H,3-4H2,1-2H3 	 146.1843 
 METACETO2H 	 CC(=O)OCOO 	 InChI=1S/C3H6O4/c1-3(4)6-2-7-5/h5H,2H2,1H3 	 106.0773 
 DM123O2 	 [O]Oc1cccc(C)c1C 	 InChI=1S/C8H9O2/c1-6-4-3-5-8(10-9)7(6)2/h3-5H,1-2H3 	 137.1559 
 LIMALBO2 	 [O]OCC(=O)CCC(CC=O)C(=C)C 	 InChI=1S/C10H15O4/c1-8(2)9(5-6-11)3-4-10(12)7-14-13/h6,9H,1,3-5,7H2,2H3 	 199.2237 
 TC4H9O2 	 [O]OC(C)(C)C 	 InChI=1S/C4H9O2/c1-4(2,3)6-5/h1-3H3 	 89.1131 
 HCOCH2OOH 	 OOCC=O 	 InChI=1S/C2H4O3/c3-1-2-5-4/h1,4H,2H2 	 76.0514 
 MCOCOMOOOH 	 CC(=O)C(=O)OCOO 	 InChI=1S/C4H6O5/c1-3(5)4(6)8-2-9-7/h7H,2H2,1H3 	 134.0874 
 C63NO32CO 	 CCCC(ON(=O)=O)C(=O)C 	 InChI=1S/C6H11NO4/c1-3-4-6(5(2)8)11-7(9)10/h6H,3-4H2,1-2H3 	 161.1558 
 C720OOH 	 OOC1CC=C(C)C(O)C1 	 InChI=1S/C7H12O3/c1-5-2-3-6(10-9)4-7(5)8/h2,6-9H,3-4H2,1H3 	 144.1684 
 C7M6CO2OOH 	 CCC(=O)C=CC(C)(OO)C=O 	 InChI=1S/C8H12O4/c1-3-7(10)4-5-8(2,6-9)12-11/h4-6,11H,3H2,1-2H3 	 172.1785 
 C7M6CO2OH 	 CCC(=O)C=CC(C)(O)C=O 	 InChI=1S/C8H12O3/c1-3-7(10)4-5-8(2,11)6-9/h4-6,11H,3H2,1-2H3 	 156.1791 
 NBZFUONE 	 O=N(=O)OC1C(=O)COC1=O 	 InChI=1S/C4H3NO6/c6-2-1-10-4(7)3(2)11-5(8)9/h3H,1H2 	 161.0697 
 DMCO 	 COC(=O)OC[O] 	 InChI=1S/C3H5O4/c1-6-3(5)7-2-4/h2H2,1H3 	 105.0694 
 C7M6CO2O2 	 CCC(=O)C=CC(C)(O[O])C=O 	 InChI=1S/C8H11O4/c1-3-7(10)4-5-8(2,6-9)12-11/h4-6H,3H2,1-2H3 	 171.1705 
 ETOMENO3 	 CCOCN(=O)=O 	 InChI=1S/C3H7NO3/c1-2-7-3-4(5)6/h2-3H2,1H3 	 105.0926 
 NIPBNZOLO2 	 [O]OC1(O)C=CC2(OOC1C2ON(=O)=O)C(C)C 	 InChI=1S/C9H12NO8/c1-5(2)8-3-4-9(11,17-14)7(16-18-8)6(8)15-10(12)13/h3-7,11H,1-2H3 	 262.1935 
 BUT2CHO 	 CC(CC)C=O 	 InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3 	 86.1323 
 HO2C3CHO 	 CC(O)CC=O 	 InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3 	 88.1051 
 CH3CCL2O2 	 [O]OC(C)(Cl)Cl 	 InChI=1S/C2H3Cl2O2/c1-2(3,4)6-5/h1H3 	 129.9500 
 NOPINOOA 	 [O-][O+]=C1CCC2CC1C2(C)C 	 InChI=1S/C9H14O2/c1-9(2)6-3-4-8(11-10)7(9)5-6/h6-7H,3-5H2,1-2H3 	 154.2063 
 C43NO34OOH 	 OOCC(CC)ON(=O)=O 	 InChI=1S/C4H9NO5/c1-2-4(3-9-8)10-5(6)7/h4,8H,2-3H2,1H3 	 151.1180 
 EPXM2DCO3H 	 CC1(OC1(C)C=O)C(=O)OO 	 InChI=1S/C6H8O5/c1-5(3-7)6(2,11-5)4(8)10-9/h3,9H,1-2H3 	 160.1247 
 C72O2 	 [O]OC(CC(=O)CC)C(C)O 	 InChI=1S/C7H13O4/c1-3-6(9)4-7(11-10)5(2)8/h5,7-8H,3-4H2,1-2H3 	 161.1757 
 COCCOHCO 	 CC(O)C([O])C=O 	 InChI=1S/C4H7O3/c1-3(6)4(7)2-5/h2-4,6H,1H3 	 103.0966 
 IP3ODBCO2H 	 O=CC=C(C(C)C)C(=O)O 	 InChI=1S/C7H10O3/c1-5(2)6(3-4-8)7(9)10/h3-5H,1-2H3,(H,9,10) 	 142.1525 
 C23O3ECHO 	 CCC(C=O)OC(=O)C(=O)C 	 InChI=1S/C7H10O4/c1-3-6(4-8)11-7(10)5(2)9/h4,6H,3H2,1-2H3 	 158.1519 
 LIMALOH 	 O=CCC(CCC(=O)C)C(C)(O)CO 	 InChI=1S/C10H18O4/c1-8(13)3-4-9(5-6-11)10(2,14)7-12/h6,9,12,14H,3-5,7H2,1-2H3 	 202.2475 
 C7CO3OHO 	 CCC(=O)C([O])C(O)C(=O)C=O 	 InChI=1S/C7H9O5/c1-2-4(9)6(11)7(12)5(10)3-8/h3,6-7,12H,2H2,1H3 	 173.1434 
 PE1ENEAO 	 CCCC([O])CO 	 InChI=1S/C5H11O2/c1-2-3-5(7)4-6/h5-6H,2-4H2,1H3 	 103.1396 
 BUFORMO 	 CCCC([O])OC=O 	 InChI=1S/C5H9O3/c1-2-3-5(7)8-4-6/h4-5H,2-3H2,1H3 	 117.1232 
 NDMMALYO 	 O=N(=O)OC1(C)C(=O)OC(=O)C1(C)[O] 	 InChI=1S/C6H6NO7/c1-5(10)3(8)13-4(9)6(5,2)14-7(11)12/h1-2H3 	 204.1143 
 C23O3CCHO 	 O=CCOC(=O)C(=O)C 	 InChI=1S/C5H6O4/c1-4(7)5(8)9-3-2-6/h2H,3H2,1H3 	 130.0987 
 INDHPCHO 	 OCC(ON(=O)=O)C(C)(OO)C=O 	 InChI=1S/C5H9NO7/c1-5(3-8,13-11)4(2-7)12-6(9)10/h3-4,7,11H,2H2,1H3 	 195.1275 
 DMMALYOH 	 O=C1OC(=O)C(C)(O)C1(C)O 	 InChI=1S/C6H8O5/c1-5(9)3(7)11-4(8)6(5,2)10/h9-10H,1-2H3 	 160.1247 
 C734CO 	 OCC(CC(=O)C(=O)O)C(=O)C 	 InChI=1S/C7H10O5/c1-4(9)5(3-8)2-6(10)7(11)12/h5,8H,2-3H2,1H3,(H,11,12) 	 174.1513 
 HO1MC5O 	 OCC(C)CC(C)[O] 	 InChI=1S/C6H13O2/c1-5(4-7)3-6(2)8/h5-7H,3-4H2,1-2H3 	 117.1662 
 TM123BNO3 	 O=N(=O)OCc1cccc(C)c1C 	 InChI=1S/C9H11NO3/c1-7-4-3-5-9(8(7)2)6-13-10(11)12/h3-5H,6H2,1-2H3 	 181.1885 
 MBOBO 	 [O]CC(O)C(C)(C)O 	 InChI=1S/C5H11O3/c1-5(2,8)4(7)3-6/h4,7-8H,3H2,1-2H3 	 119.1390 
 DMMALYO 	 O=C1OC(=O)C(C)(O)C1(C)[O] 	 InChI=1S/C6H7O5/c1-5(9)3(7)11-4(8)6(5,2)10/h9H,1-2H3 	 159.1168 
 C23O3MOH 	 CC(O)OC(=O)C(=O)C 	 InChI=1S/C5H8O4/c1-3(6)5(8)9-4(2)7/h4,7H,1-2H3 	 132.1146 
 C65NO36CO3 	 CCCCC(ON(=O)=O)C(=O)O[O] 	 InChI=1S/C6H10NO6/c1-2-3-4-5(6(8)13-11)12-7(9)10/h5H,2-4H2,1H3 	 192.1467 
 C78OOH 	 OOC(CC(C)(C)O)C(=O)C 	 InChI=1S/C7H14O4/c1-5(8)6(11-10)4-7(2,3)9/h6,9-10H,4H2,1-3H3 	 162.1837 
 C4M2NO3OOH 	 OOC(C)(C)C(C)ON(=O)=O 	 InChI=1S/C5H11NO5/c1-4(10-6(7)8)5(2,3)11-9/h4,9H,1-3H3 	 165.1445 
 C721OOH 	 OOC1CC(C(=O)O)C1(C)C 	 InChI=1S/C7H12O4/c1-7(2)4(6(8)9)3-5(7)11-10/h4-5,10H,3H2,1-2H3,(H,8,9) 	 160.1678 
 PBZMUCCO2H 	 CCCC(=O)C=CC1OC1C(=O)O 	 InChI=1S/C9H12O4/c1-2-3-6(10)4-5-7-8(13-7)9(11)12/h4-5,7-8H,2-3H2,1H3,(H,11,12) 	 184.1892 
 INCNPAN 	 O=N(=O)OOC(=O)C(ON(=O)=O)C(C)(O)CON(=O)=O 	 InChI=1S/C5H7N3O12/c1-5(10,2-17-6(11)12)3(18-7(13)14)4(9)19-20-8(15)16/h3,10H,2H2,1H3 	 301.1220 
 C4CO2O2 	 [O]OC(C=O)C(=O)C 	 InChI=1S/C4H5O4/c1-3(6)4(2-5)8-7/h2,4H,1H3 	 117.0801 
 HO3C4CHO 	 CCC(O)CC=O 	 InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3 	 102.1317 
 IPEAOOH 	 CC(COO)CC 	 InChI=1S/C5H12O2/c1-3-5(2)4-7-6/h5-6H,3-4H2,1-2H3 	 104.1476 
 NBUTOLAOOH 	 CCC(CO)OO 	 InChI=1S/C4H10O3/c1-2-4(3-5)7-6/h4-6H,2-3H2,1H3 	 106.1204 
 OETLQO 	 CCC1=C(C)C(=O)C([O])C(O)C1=O 	 InChI=1S/C9H11O4/c1-3-5-4(2)6(10)8(12)9(13)7(5)11/h8-9,13H,3H2,1-2H3 	 183.1812 
 OETLPOXMUC 	 O=CC=CC1(C)OC1(CC)C=O 	 InChI=1S/C9H12O3/c1-3-9(7-11)8(2,12-9)5-4-6-10/h4-7H,3H2,1-2H3 	 168.1898 
 DMMALYO2 	 [O]OC1(C)C(=O)OC(=O)C1(C)O 	 InChI=1S/C6H7O6/c1-5(9)3(7)11-4(8)6(5,2)12-10/h9H,1-2H3 	 175.1162 
 C5124COPAN 	 O=CC(=O)CC(=O)CC(=O)OON(=O)=O 	 InChI=1S/C6H5NO8/c8-3-5(10)1-4(9)2-6(11)14-15-7(12)13/h3H,1-2H2 	 219.1058 
 HOC6H4NO2 	 O=N(=O)c1ccccc1O 	 InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H 	 139.1088 
 C4CO2DBCO3 	 [O]OC(=O)C=CC(=O)C=O 	 InChI=1S/C5H3O5/c6-3-4(7)1-2-5(8)10-9/h1-3H 	 143.0743 
 DMMALYOOH 	 OOC1(C)C(=O)OC(=O)C1(C)O 	 InChI=1S/C6H8O6/c1-5(9)3(7)11-4(8)6(5,2)12-10/h9-10H,1-2H3 	 176.1241 
 DECOOH 	 CCCCCCCC(CC)OO 	 InChI=1S/C10H22O2/c1-3-5-6-7-8-9-10(4-2)12-11/h10-11H,3-9H2,1-2H3 	 174.2805 
 C51O 	 CC(=O)CC([O])CO 	 InChI=1S/C5H9O3/c1-4(7)2-5(8)3-6/h5-6H,2-3H2,1H3 	 117.1232 
 MBOANO3 	 OCC(ON(=O)=O)C(C)(C)O 	 InChI=1S/C5H11NO5/c1-5(2,8)4(3-7)11-6(9)10/h4,7-8H,3H2,1-2H3 	 165.1445 
 MNCATECH 	 O=N(=O)c1ccc(C)c(O)c1O 	 InChI=1S/C7H7NO4/c1-4-2-3-5(8(11)12)7(10)6(4)9/h2-3,9-10H,1H3 	 169.1348 
 C8BCOH 	 OC1CC2CC1C2(C)C 	 InChI=1S/C8H14O/c1-8(2)5-3-6(8)7(9)4-5/h5-7,9H,3-4H2,1-2H3 	 126.1962 
 MNCATECO 	 O=N(=O)C1=C(O)C(O)([O])C2(C)OOC1C2O 	 InChI=1S/C7H8NO8/c1-6-5(10)3(15-16-6)2(8(13)14)4(9)7(6,11)12/h3,5,9-11H,1H3 	 234.1403 
 INB1OH 	 OCC(O)C(C)(CO)ON(=O)=O 	 InChI=1S/C5H11NO6/c1-5(3-8,4(9)2-7)12-6(10)11/h4,7-9H,2-3H2,1H3 	 181.1439 
 IPRCOMO 	 [O]CC(=O)C(C)C 	 InChI=1S/C5H9O2/c1-4(2)5(7)3-6/h4H,3H2,1-2H3 	 101.1238 
 MO2EOLAO2 	 COC(CO)O[O] 	 InChI=1S/C3H7O4/c1-6-3(2-4)7-5/h3-4H,2H2,1H3 	 107.0853 
 NC5MDCO2H 	 OC(=O)C(=C(C(=O)C)N(=O)=O)C 	 InChI=1S/C6H7NO5/c1-3(6(9)10)5(4(2)8)7(11)12/h1-2H3,(H,9,10) 	 173.1235 
 EBZBIPERO2 	 [O]OC1C=CC2(CC)OOC1C2O 	 InChI=1S/C8H11O5/c1-2-8-4-3-5(11-10)6(7(8)9)12-13-8/h3-7,9H,2H2,1H3 	 187.1699 
 C116CHO 	 O=CCCC(=O)C1CC(C)(C)C1CC=O 	 InChI=1S/C12H18O3/c1-12(2)8-9(10(12)5-7-14)11(15)4-3-6-13/h6-7,9-10H,3-5,8H2,1-2H3 	 210.2695 
 PEAO2 	 CCCCCO[O] 	 InChI=1S/C5H11O2/c1-2-3-4-5-7-6/h2-5H2,1H3 	 103.1396 
 NOPINCNO3 	 O=N(=O)OC12CCC(=O)C(C1)C2(C)C 	 InChI=1S/C9H13NO4/c1-8(2)6-5-9(8,14-10(12)13)4-3-7(6)11/h6H,3-5H2,1-2H3 	 199.2038 
 MPRKAOOH 	 CCC(OO)C(=O)C 	 InChI=1S/C5H10O3/c1-3-5(8-7)4(2)6/h5,7H,3H2,1-2H3 	 118.1311 
 C8CO3OHO2 	 CCCC(=O)C(O[O])C(O)C(=O)C=O 	 InChI=1S/C8H11O6/c1-2-3-5(10)8(14-13)7(12)6(11)4-9/h4,7-8,12H,2-3H2,1H3 	 203.1693 
 CO2M33CO3H 	 OOC(=O)C(C)(C)C(=O)C 	 InChI=1S/C6H10O4/c1-4(7)6(2,3)5(8)10-9/h9H,1-3H3 	 146.1412 
 CHOC2CO3 	 [O]OC(=O)CCC=O 	 InChI=1S/C4H5O4/c5-3-1-2-4(6)8-7/h3H,1-2H2 	 117.0801 
 HO3C6OOH 	 OOCCCC(O)CC 	 InChI=1S/C6H14O3/c1-2-6(7)4-3-5-9-8/h6-8H,2-5H2,1H3 	 134.1736 
 INB1O2 	 OCC(O[O])C(C)(CO)ON(=O)=O 	 InChI=1S/C5H10NO7/c1-5(3-8,13-6(9)10)4(2-7)12-11/h4,7-8H,2-3H2,1H3 	 196.1354 
 C1011OOH 	 OOC1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C10H18O3/c1-7(11)4-5-8-9(13-12)6-10(8,2)3/h8-9,12H,4-6H2,1-3H3 	 186.2481 
 DMCOOH 	 OOCOC(=O)OC 	 InChI=1S/C3H6O5/c1-6-3(4)7-2-8-5/h5H,2H2,1H3 	 122.0767 
 C8BCO2 	 [O]OC1CC2CC1C2(C)C 	 InChI=1S/C8H13O2/c1-8(2)5-3-6(8)7(4-5)10-9/h5-7H,3-4H2,1-2H3 	 141.1876 
 HO1CO34C5 	 CC(=O)C(=O)CCO 	 InChI=1S/C5H8O3/c1-4(7)5(8)2-3-6/h6H,2-3H2,1H3 	 116.1152 
 HO3C106O 	 CCCCC([O])CCC(O)CC 	 InChI=1S/C10H21O2/c1-3-5-6-10(12)8-7-9(11)4-2/h9-11H,3-8H2,1-2H3 	 173.2725 
 LIMCNO3 	 OCC(C)(O[N+](=O)[O-])C1CCC(=CC1)C 	 InChI=1S/C10H17NO4/c1-8-3-5-9(6-4-8)10(2,7-12)15-11(13)14/h3,9,12H,4-7H2,1-2H3 	 215.2463 
 DNMETOL 	 CCc1cc(N(=O)=O)c(O)c(C)c1N(=O)=O 	 InChI=1S/C9H10N2O5/c1-3-6-4-7(10(13)14)9(12)5(2)8(6)11(15)16/h4,12H,3H2,1-2H3 	 226.1861 
 NMGLYOX 	 O=CC(=O)CON(=O)=O 	 InChI=1S/C3H3NO5/c5-1-3(6)2-9-4(7)8/h1H,2H2 	 133.0596 
 HM22C3OOH 	 OOCC(C)(C)CO 	 InChI=1S/C5H12O3/c1-5(2,3-6)4-8-7/h6-7H,3-4H2,1-2H3 	 120.1470 
 STYRENO 	 [O]CC(O)c1ccccc1 	 InChI=1S/C8H9O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6H2 	 137.1559 
 STYRENE 	 C=Cc1ccccc1 	 InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2 	 104.1491 
 BRETO3H 	 OOC(=O)CBr 	 InChI=1S/C2H3BrO3/c3-1-2(4)6-5/h5H,1H2 	 154.9474 
 CO25C6CO3H 	 OOC(=O)CC(=O)CCC(=O)C 	 InChI=1S/C7H10O5/c1-5(8)2-3-6(9)4-7(10)12-11/h11H,2-4H2,1H3 	 174.1513 
 C87OH 	 OCC(=O)C(C=O)C(C)(C)C=O 	 InChI=1S/C8H12O4/c1-8(2,5-11)6(3-9)7(12)4-10/h3,5-6,10H,4H2,1-2H3 	 172.1785 
 C823O 	 [O]CC(CCC(=O)O)C(=C)C 	 InChI=1S/C8H13O3/c1-6(2)7(5-9)3-4-8(10)11/h7H,1,3-5H2,2H3,(H,10,11) 	 157.1870 
 IPROMCCHO 	 O=CC(C)OC(C)C 	 InChI=1S/C6H12O2/c1-5(2)8-6(3)4-7/h4-6H,1-3H3 	 116.1583 
 CH3SO 	 CS[O] 	 InChI=1S/CH3OS/c1-3-2/h1H3 	 63.0989 
 CO23C54OOH 	 CC(OO)C(=O)C(=O)C 	 InChI=1S/C5H8O4/c1-3(6)5(7)4(2)9-8/h4,8H,1-2H3 	 132.1146 
 C46CO3H 	 OCCC(=C)C(=O)OO 	 InChI=1S/C5H8O4/c1-4(2-3-6)5(7)9-8/h6,8H,1-3H2 	 132.1146 
 C87O2 	 [O]OCC(=O)C(C=O)C(C)(C)C=O 	 InChI=1S/C8H11O5/c1-8(2,5-10)6(3-9)7(11)4-13-12/h3,5-6H,4H2,1-2H3 	 187.1699 
 BUTONENO3 	 O=N(=O)OC(C)C(=O)C 	 InChI=1S/C4H7NO4/c1-3(6)4(2)9-5(7)8/h4H,1-2H3 	 133.1027 
 C5CO2OHCO3 	 OC(C=O)C(=O)C=CC(=O)O[O] 	 InChI=1S/C6H5O6/c7-3-5(9)4(8)1-2-6(10)12-11/h1-3,5,9H 	 173.1003 
 PERPINONIC 	 OOC(=O)CC1CC(C(=O)C)C1(C)C 	 InChI=1S/C10H16O4/c1-6(11)8-4-7(10(8,2)3)5-9(12)14-13/h7-8,13H,4-5H2,1-3H3 	 200.2316 
 NC4DCO2 	 O=CC(=CC(=O)[O])N(=O)=O 	 InChI=1S/C4H2NO5/c6-2-3(5(9)10)1-4(7)8/h1-2H 	 144.0624 
 C830CO3H 	 O=CCC1C(CC1(C)C)C(=O)OO 	 InChI=1S/C9H14O4/c1-9(2)5-6(8(11)13-12)7(9)3-4-10/h4,6-7,12H,3,5H2,1-2H3 	 186.2051 
 ECATEC1O2 	 CCc1cccc(O)c1O[O] 	 InChI=1S/C8H9O3/c1-2-6-4-3-5-7(9)8(6)11-10/h3-5,9H,2H2,1H3 	 153.1553 
 CHOCOCH2O 	 [O]CC(=O)C=O 	 InChI=1S/C3H3O3/c4-1-3(6)2-5/h1H,2H2 	 87.0541 
 C88OH 	 O=C1CCC(=O)C(C)(C)C1O 	 InChI=1S/C8H12O3/c1-8(2)6(10)4-3-5(9)7(8)11/h7,11H,3-4H2,1-2H3 	 156.1791 
 C108O2 	 O=CCC(CC(=O)C(=O)C)C(C)(C)O[O] 	 InChI=1S/C10H15O5/c1-7(12)9(13)6-8(4-5-11)10(2,3)15-14/h5,8H,4,6H2,1-3H3 	 215.2231 
 C519O2 	 OCCC(O[O])C(=O)C 	 InChI=1S/C5H9O4/c1-4(7)5(9-8)2-3-6/h5-6H,2-3H2,1H3 	 133.1226 
 H2C3OCO2 	 [O]OCOCC(C)O 	 InChI=1S/C4H9O4/c1-4(5)2-7-3-8-6/h4-5H,2-3H2,1H3 	 121.1119 
 BRETAL 	 BrCC=O 	 InChI=1S/C2H3BrO/c3-1-2-4/h2H,1H2 	 122.9486 
 HEXBO 	 CCCCC(C)[O] 	 InChI=1S/C6H13O/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3 	 101.1668 
 CHCL3O 	 ClC(Cl)C([O])Cl 	 InChI=1S/C2H2Cl3O/c3-1(4)2(5)6/h1-2H 	 148.3957 
 C68NO3 	 O=CCC(C)(ON(=O)=O)C(C)O 	 InChI=1S/C6H11NO5/c1-5(9)6(2,3-4-8)12-7(10)11/h4-5,9H,3H2,1-2H3 	 177.1552 
 C108OH 	 O=CCC(CC(=O)C(=O)C)C(C)(C)O 	 InChI=1S/C10H16O4/c1-7(12)9(13)6-8(4-5-11)10(2,3)14/h5,8,14H,4,6H2,1-3H3 	 200.2316 
 BZBIPER2OH 	 OC1C=CC2OOC1C2O 	 InChI=1S/C6H8O4/c7-3-1-2-4-5(8)6(3)10-9-4/h1-8H 	 144.1253 
 C88O2 	 [O]OC1C(=O)CCC(=O)C1(C)C 	 InChI=1S/C8H11O4/c1-8(2)6(10)4-3-5(9)7(8)12-11/h7H,3-4H2,1-2H3 	 171.1705 
 ETBEACO3H 	 CCOC(C)(C)C(=O)OO 	 InChI=1S/C6H12O4/c1-4-9-6(2,3)5(7)10-8/h8H,4H2,1-3H3 	 148.1571 
 C6CO3HO14 	 OCCC(=O)C(O)CC 	 InChI=1S/C6H12O3/c1-2-5(8)6(9)3-4-7/h5,7-8H,2-4H2,1H3 	 132.1577 
 HMPAN 	 OCC(=C)C(=O)OON(=O)=O 	 InChI=1S/C4H5NO6/c1-3(2-6)4(7)10-11-5(8)9/h6H,1-2H2 	 163.0856 
 C7EDCO 	 CCC(=O)C(O)C([O])C(=O)C 	 InChI=1S/C7H11O4/c1-3-5(9)7(11)6(10)4(2)8/h6-7,11H,3H2,1-2H3 	 159.1598 
 OETLMUCO2 	 [O]OC(C=O)C(O)C1(C)OC1(CC)C=O 	 InChI=1S/C9H13O6/c1-3-9(5-11)8(2,15-9)7(12)6(4-10)14-13/h4-7,12H,3H2,1-2H3 	 217.1959 
 HO1CO3CHO 	 OCCC(=O)C=O 	 InChI=1S/C4H6O3/c5-2-1-4(7)3-6/h3,5H,1-2H2 	 102.0886 
 H2C3OCNO3 	 CC(O)COCON(=O)=O 	 InChI=1S/C4H9NO5/c1-4(6)2-9-3-10-5(7)8/h4,6H,2-3H2,1H3 	 151.1180 
 H13M3C5NO3 	 OCCC(C)(O)C(C)ON(=O)=O 	 InChI=1S/C6H13NO5/c1-5(12-7(10)11)6(2,9)3-4-8/h5,8-9H,3-4H2,1-2H3 	 179.1711 
 C4CONO3OOH 	 OOC(C)C(C=O)ON(=O)=O 	 InChI=1S/C4H7NO6/c1-3(11-9)4(2-6)10-5(7)8/h2-4,9H,1H3 	 165.1015 
 C6O4KETOOH 	 CC(=O)C(=O)OC(=O)C(=O)COO 	 InChI=1S/C6H6O7/c1-3(7)5(9)13-6(10)4(8)2-12-11/h11H,2H2,1H3 	 190.1076 
 ACEBUTONE 	 CC(=O)CCOC(=O)C 	 InChI=1S/C6H10O3/c1-5(7)3-4-9-6(2)8/h3-4H2,1-2H3 	 130.1418 
 C147OOH 	 OOC(CC(=O)O)C(=O)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H22O6/c1-8(15)4-5-10-9(7-14(10,2)3)13(18)11(20-19)6-12(16)17/h9-11,19H,4-7H2,1-3H3,(H,16,17) 	 286.3209 
 DIIPRETNO3 	 CC(C)OC(C)(C)ON(=O)=O 	 InChI=1S/C6H13NO4/c1-5(2)10-6(3,4)11-7(8)9/h5H,1-4H3 	 163.1717 
 C131CO2H 	 CC(=O)CCC1C(CC1(C)C)C(=O)CCC(=O)O 	 InChI=1S/C14H22O4/c1-9(15)4-5-11-10(8-14(11,2)3)12(16)6-7-13(17)18/h10-11H,4-8H2,1-3H3,(H,17,18) 	 254.3221 
 C645OH 	 CCCC(O)C(C)O 	 InChI=1S/C6H14O2/c1-3-4-6(8)5(2)7/h5-8H,3-4H2,1-2H3 	 118.1742 
 NMXYFUO 	 O=N(=O)OC1C(C)OC(=O)C1(C)[O] 	 InChI=1S/C6H8NO6/c1-3-4(13-7(10)11)6(2,9)5(8)12-3/h3-4H,1-2H3 	 190.1308 
 CY6DIONOOH 	 OOC1CCC(=O)C(=O)C1 	 InChI=1S/C6H8O4/c7-5-2-1-4(10-9)3-6(5)8/h4,9H,1-3H2 	 144.1253 
 MTBEBOOH 	 OOCC(C)(C)OC 	 InChI=1S/C5H12O3/c1-5(2,7-3)4-8-6/h6H,4H2,1-3H3 	 120.1470 
 NC4IPDCO2H 	 O=CC(=C(C(C)C)C(=O)O)N(=O)=O 	 InChI=1S/C7H9NO5/c1-4(2)6(7(10)11)5(3-9)8(12)13/h3-4H,1-2H3,(H,10,11) 	 187.1501 
 MIBKHO4O2 	 [O]OCC(=O)CC(C)(C)O 	 InChI=1S/C6H11O4/c1-6(2,8)3-5(7)4-10-9/h8H,3-4H2,1-2H3 	 147.1491 
 H3NCO2CHO 	 O=CC(O)C(=O)CON(=O)=O 	 InChI=1S/C4H5NO6/c6-1-3(7)4(8)2-11-5(9)10/h1,3,7H,2H2 	 163.0856 
 C7DDCCO3H 	 CCC(=O)C=C(C)C(=O)OO 	 InChI=1S/C7H10O4/c1-3-6(8)4-5(2)7(9)11-10/h4,10H,3H2,1-2H3 	 158.1519 
 MEKAO 	 CC(=O)CC[O] 	 InChI=1S/C4H7O2/c1-4(6)2-3-5/h2-3H2,1H3 	 87.0972 
 C828O 	 CC(=O)CC(=O)C(=O)C(C)(C)[O] 	 InChI=1S/C8H11O4/c1-5(9)4-6(10)7(11)8(2,3)12/h4H2,1-3H3 	 171.1705 
 C7ADCCO2 	 CC(=O)C(=C(C)C(=O)[O])C 	 InChI=1S/C7H9O3/c1-4(6(3)8)5(2)7(9)10/h1-3H3 	 141.1446 
 C7ADCCO3 	 [O]OC(=O)C(=C(C)C(=O)C)C 	 InChI=1S/C7H9O4/c1-4(6(3)8)5(2)7(9)11-10/h1-3H3 	 157.1440 
 C6H5O2 	 [O]Oc1ccccc1 	 InChI=1S/C6H5O2/c7-8-6-4-2-1-3-5-6/h1-5H 	 109.1027 
 EBFUCO 	 CCC1OC(=O)C(=O)C1O 	 InChI=1S/C6H8O4/c1-2-3-4(7)5(8)6(9)10-3/h3-4,7H,2H2,1H3 	 144.1253 
 INCCO 	 OCC(=O)C(C)(O)CON(=O)=O 	 InChI=1S/C5H9NO6/c1-5(9,4(8)2-7)3-12-6(10)11/h7,9H,2-3H2,1H3 	 179.1281 
 PEBNO3 	 CCCC(C)ON(=O)=O 	 InChI=1S/C5H11NO3/c1-3-4-5(2)9-6(7)8/h5H,3-4H2,1-2H3 	 133.1457 
 C923O 	 [O]CC(CCC(=O)C)C(=C)C 	 InChI=1S/C9H15O2/c1-7(2)9(6-10)5-4-8(3)11/h9H,1,4-6H2,2-3H3 	 155.2142 
 MC7CO2OOH 	 CC(OO)(C=CC=O)C(=O)CC 	 InChI=1S/C8H12O4/c1-3-7(10)8(2,12-11)5-4-6-9/h4-6,11H,3H2,1-2H3 	 172.1785 
 C512CO3 	 [O]OC(=O)CCC(=O)CC=O 	 InChI=1S/C6H7O5/c7-4-3-5(8)1-2-6(9)11-10/h4H,1-3H2 	 159.1168 
 C4ME2OHO 	 CC(C)(O)C(C)(C)[O] 	 InChI=1S/C6H13O2/c1-5(2,7)6(3,4)8/h7H,1-4H3 	 117.1662 
 PRONFORM 	 O=COCC(=O)C 	 InChI=1S/C4H6O3/c1-4(6)2-7-3-5/h3H,2H2,1H3 	 102.0886 
 LIMALBOOH 	 OOCC(=O)CCC(CC=O)C(=C)C 	 InChI=1S/C10H16O4/c1-8(2)9(5-6-11)3-4-10(12)7-14-13/h6,9,13H,1,3-5,7H2,2H3 	 200.2316 
 DMEBPR2OH 	 CCC12OOC(C)(C(O)C(=C1)C)C2O 	 InChI=1S/C10H16O4/c1-4-10-5-6(2)7(11)9(3,8(10)12)13-14-10/h5,7-8,11-12H,4H2,1-3H3 	 200.2316 
 CH3OCH3 	 COC 	 InChI=1S/C2H6O/c1-3-2/h1-2H3 	 46.0684 
 NDNPETOLO2 	 CCC12OOC(N(=O)=O)(C(=C(N(=O)=O)C2(O)O[O])C)C1ON(=O)=O 	 InChI=1S/C9H10N3O12/c1-3-7-6(21-12(18)19)8(11(16)17,24-23-7)4(2)5(10(14)15)9(7,13)22-20/h6,13H,3H2,1-2H3 	 352.1886 
 H3M3C6O2 	 [O]OCCCC(C)(O)CC 	 InChI=1S/C7H15O3/c1-3-7(2,8)5-4-6-10-9/h8H,3-6H2,1-2H3 	 147.1922 
 HEX3ONCOOH 	 CC(OO)C(=O)CCC 	 InChI=1S/C6H12O3/c1-3-4-6(7)5(2)9-8/h5,8H,3-4H2,1-2H3 	 132.1577 
 MIPKAOOH 	 OOC(C)(C)C(=O)C 	 InChI=1S/C5H10O3/c1-4(6)5(2,3)8-7/h7H,1-3H3 	 118.1311 
 C7CO3OHO2 	 CCC(=O)C(O[O])C(O)C(=O)C=O 	 InChI=1S/C7H9O6/c1-2-4(9)7(13-12)6(11)5(10)3-8/h3,6-7,11H,2H2,1H3 	 189.1428 
 C1211OOH 	 OOCCC(=O)C1CC(C)(C)C1CCC(=O)O 	 InChI=1S/C12H20O5/c1-12(2)7-8(10(13)5-6-17-16)9(12)3-4-11(14)15/h8-9,16H,3-7H2,1-2H3,(H,14,15) 	 244.2842 
 NAPINAO 	 O=N(=O)OC1CC2CC(C1(C)[O])C2(C)C 	 InChI=1S/C10H16NO4/c1-9(2)6-4-7(9)10(3,12)8(5-6)15-11(13)14/h6-8H,4-5H2,1-3H3 	 214.2383 
 C812O2 	 OCC1CC(O[O])(C(=O)O)C1(C)C 	 InChI=1S/C8H13O5/c1-7(2)5(4-9)3-8(7,13-12)6(10)11/h5,9H,3-4H2,1-2H3,(H,10,11) 	 189.1858 
 MIBKAOOH 	 OOC(C)(C)CC(=O)C 	 InChI=1S/C6H12O3/c1-5(7)4-6(2,3)9-8/h8H,4H2,1-3H3 	 132.1577 
 EMPHPAN 	 CCc1cc(C)cc(c1)C(=O)OON(=O)=O 	 InChI=1S/C10H11NO5/c1-3-8-4-7(2)5-9(6-8)10(12)15-16-11(13)14/h4-6H,3H2,1-2H3 	 225.1980 
 OXYOLOOH 	 OOC1(O)C=C(C)C2(C)OOC1C2O 	 InChI=1S/C8H12O6/c1-4-3-8(10,13-11)6-5(9)7(4,2)14-12-6/h3,5-6,9-11H,1-2H3 	 204.1773 
 C4M2ALOHO2 	 O=CC(O)C(C)(O[O])C=O 	 InChI=1S/C5H7O5/c1-5(3-7,10-9)4(8)2-6/h2-4,8H,1H3 	 147.1061 
 M3BUTAL2O 	 O=CC([O])C(C)C 	 InChI=1S/C5H9O2/c1-4(2)5(7)3-6/h3-5H,1-2H3 	 101.1238 
 DETLBPROOH 	 OOC1C(=CC2(CC)OOC1(C)C2O)CC 	 InChI=1S/C11H18O5/c1-4-7-6-11(5-2)9(12)10(3,15-16-11)8(7)14-13/h6,8-9,12-13H,4-5H2,1-3H3 	 230.2576 
 NMXYOLO 	 O=N(=O)OC1C2(C)C=CC([O])(O)C1(C)OO2 	 InChI=1S/C8H10NO7/c1-6-3-4-8(10,11)7(2,16-15-6)5(6)14-9(12)13/h3-5,10H,1-2H3 	 232.1675 
 H25M2C6 	 CC(O)CCC(C)(C)O 	 InChI=1S/C7H16O2/c1-6(8)4-5-7(2,3)9/h6,8-9H,4-5H2,1-3H3 	 132.2007 
 C812OH 	 OCC1CC(O)(C(=O)O)C1(C)C 	 InChI=1S/C8H14O4/c1-7(2)5(4-9)3-8(7,12)6(10)11/h5,9,12H,3-4H2,1-2H3,(H,10,11) 	 174.1944 
 OXYLAL 	 O=Cc1ccccc1C 	 InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3 	 120.1485 
 C105O2 	 CCCCC(=O)C(=O)C(O[O])C(=O)CC 	 InChI=1S/C10H15O5/c1-3-5-6-8(12)9(13)10(15-14)7(11)4-2/h10H,3-6H2,1-2H3 	 215.2231 
 C5CO23O2 	 CCC(=O)C(=O)CO[O] 	 InChI=1S/C5H7O4/c1-2-4(6)5(7)3-9-8/h2-3H2,1H3 	 131.1067 
 C718CO2H 	 O=CC(C)(C)C(=O)CCC(=O)O 	 InChI=1S/C8H12O4/c1-8(2,5-9)6(10)3-4-7(11)12/h5H,3-4H2,1-2H3,(H,11,12) 	 172.1785 
 HOC4H8OH 	 OCCCCO 	 InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2 	 90.1210 
 OXCATEC1O2 	 [O]Oc1c(O)ccc(C)c1C 	 InChI=1S/C8H9O3/c1-5-3-4-7(9)8(11-10)6(5)2/h3-4,9H,1-2H3 	 153.1553 
 NBPINBO2 	 [O]OCC1(CCC2CC1C2(C)C)ON(=O)=O 	 InChI=1S/C10H16NO5/c1-9(2)7-3-4-10(6-15-14,8(9)5-7)16-11(12)13/h7-8H,3-6H2,1-2H3 	 230.2377 
 BOX2OHAOOH 	 CCCC(OO)OCCO 	 InChI=1S/C6H14O4/c1-2-3-6(10-8)9-5-4-7/h6-8H,2-5H2,1H3 	 150.1730 
 IPCATC1OOH 	 OOc1c(O)cccc1C(C)C 	 InChI=1S/C9H12O3/c1-6(2)7-4-3-5-8(10)9(7)12-11/h3-6,10-11H,1-2H3 	 168.1898 
 C515PAN 	 O=CCC(=O)C(=O)CC(=O)OON(=O)=O 	 InChI=1S/C6H5NO8/c8-2-1-4(9)5(10)3-6(11)14-15-7(12)13/h2H,1,3H2 	 219.1058 
 CH3OCHO 	 COC=O 	 InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3 	 60.0520 
 C6DIAL 	 O=CCCCCC=O 	 InChI=1S/C6H10O2/c7-5-3-1-2-4-6-8/h5-6H,1-4H2 	 114.1424 
 C6NO3COOOH 	 CCC(OO)CC(=O)CON(=O)=O 	 InChI=1S/C6H11NO6/c1-2-6(13-11)3-5(8)4-12-7(9)10/h6,11H,2-4H2,1H3 	 193.1546 
 C6EO2OHCO3 	 CCC(=CC(=O)C(O)C(=O)C)C(=O)O[O] 	 InChI=1S/C9H11O6/c1-3-6(9(13)15-14)4-7(11)8(12)5(2)10/h4,8,12H,3H2,1-2H3 	 215.1800 
 DNT123LOOH 	 OOC1(O)C(=C(C)C2(C)OOC1(N(=O)=O)C2(C)O)N(=O)=O 	 InChI=1S/C9H12N2O10/c1-4-5(10(14)15)8(13,19-18)9(11(16)17)7(3,12)6(4,2)20-21-9/h12-13,18H,1-3H3 	 308.1990 
 PXNCATECO2 	 [O]OC1(O)C(=C(C)C2(OOC1(C)C2O)N(=O)=O)O 	 InChI=1S/C8H10NO9/c1-3-4(10)8(12,16-15)6(2)5(11)7(3,9(13)14)18-17-6/h5,10-12H,1-2H3 	 264.1663 
 EIPEOH 	 CCOC(C)(C)O 	 InChI=1S/C5H12O2/c1-4-7-5(2,3)6/h6H,4H2,1-3H3 	 104.1476 
 M2PEDOOH 	 CCCC(C)(C)OO 	 InChI=1S/C6H14O2/c1-4-5-6(2,3)8-7/h7H,4-5H2,1-3H3 	 118.1742 
 PRNO3PAN 	 O=N(=O)OOC(=O)C(C)ON(=O)=O 	 InChI=1S/C3H4N2O8/c1-2(11-4(7)8)3(6)12-13-5(9)10/h2H,1H3 	 196.0725 
 C6O4KETO 	 [O]CC(=O)C(=O)OC(=O)C(=O)C 	 InChI=1S/C6H5O6/c1-3(8)5(10)12-6(11)4(9)2-7/h2H2,1H3 	 173.1003 
 C129OH 	 O=CCC(O)C(=O)C1CC(C)(C)C1CC=O 	 InChI=1S/C12H18O4/c1-12(2)7-8(9(12)3-5-13)11(16)10(15)4-6-14/h5-6,8-10,15H,3-4,7H2,1-2H3 	 226.2689 
 C4ME2OHOOH 	 OOC(C)(C)C(C)(C)O 	 InChI=1S/C6H14O3/c1-5(2,7)6(3,4)9-8/h7-8H,1-4H3 	 134.1736 
 MIPKBOH 	 CC(CO)C(=O)C 	 InChI=1S/C5H10O2/c1-4(3-6)5(2)7/h4,6H,3H2,1-2H3 	 102.1317 
 C4MCONO3O 	 O=N(=O)OCC(=O)C(C)(C)[O] 	 InChI=1S/C5H8NO5/c1-5(2,8)4(7)3-11-6(9)10/h3H2,1-2H3 	 162.1207 
 NC4MDCO2 	 O=CC(=C(C)C(=O)[O])N(=O)=O 	 InChI=1S/C5H4NO5/c1-3(5(8)9)4(2-7)6(10)11/h2H,1H3 	 158.0890 
 INCO 	 OCC([O])C(C)(O)CON(=O)=O 	 InChI=1S/C5H10NO6/c1-5(9,4(8)2-7)3-12-6(10)11/h4,7,9H,2-3H2,1H3 	 180.1360 
 H25M3C6 	 CC(O)CC(C)C(C)O 	 InChI=1S/C7H16O2/c1-5(7(3)9)4-6(2)8/h5-9H,4H2,1-3H3 	 132.2007 
 MIPKBO2 	 CC(CO[O])C(=O)C 	 InChI=1S/C5H9O3/c1-4(3-8-7)5(2)6/h4H,3H2,1-2H3 	 117.1232 
 ME3BUOLOOH 	 OCC(OO)C(C)C 	 InChI=1S/C5H12O3/c1-4(2)5(3-6)8-7/h4-7H,3H2,1-2H3 	 120.1470 
 MTCATECOOA 	 CCC(=CC(=CC(=O)O)C)C(=[O+][O-])O 	 InChI=1S/C9H12O5/c1-3-7(9(12)14-13)4-6(2)5-8(10)11/h4-5,12H,3H2,1-2H3,(H,10,11) 	 200.1886 
 EPXKTMCO2H 	 OC(=O)C1OC1(C)C(=O)C 	 InChI=1S/C6H8O4/c1-3(7)6(2)4(10-6)5(8)9/h4H,1-2H3,(H,8,9) 	 144.1253 
 HO3C96O 	 CCCC([O])CCC(O)CC 	 InChI=1S/C9H19O2/c1-3-5-9(11)7-6-8(10)4-2/h8-10H,3-7H2,1-2H3 	 159.2460 
 C152O 	 O=CCCC([O])(CO)C1CC(C)(C)C1CCC(=O)OC 	 InChI=1S/C15H25O5/c1-14(2)9-12(11(14)5-6-13(18)20-3)15(19,10-17)7-4-8-16/h8,11-12,17H,4-7,9-10H2,1-3H3 	 285.3560 
 EIPEO2 	 CCOC(C)(C)O[O] 	 InChI=1S/C5H11O3/c1-4-7-5(2,3)8-6/h4H2,1-3H3 	 119.1390 
 CH3O2NO2 	 COON(=O)=O 	 InChI=1S/CH3NO4/c1-5-6-2(3)4/h1H3 	 93.0388 
 C136OOH 	 OOCCC1C(CC1(C)C)C(=C)CCC=O 	 InChI=1S/C13H22O3/c1-10(5-4-7-14)11-9-13(2,3)12(11)6-8-16-15/h7,11-12,15H,1,4-6,8-9H2,2-3H3 	 226.3120 
 C88CO3 	 [O]OC(=O)C1C(=O)CCC(=O)C1(C)C 	 InChI=1S/C9H11O5/c1-9(2)6(11)4-3-5(10)7(9)8(12)14-13/h7H,3-4H2,1-2H3 	 199.1806 
 C823CO3 	 [O]OC(=O)CC(CCC(=O)O)C(=C)C 	 InChI=1S/C9H13O5/c1-6(2)7(3-4-8(10)11)5-9(12)14-13/h7H,1,3-5H2,2H3,(H,10,11) 	 201.1965 
 NMBOBOOH 	 OOCC(ON(=O)=O)C(C)(C)O 	 InChI=1S/C5H11NO6/c1-5(2,7)4(3-11-10)12-6(8)9/h4,7,10H,3H2,1-2H3 	 181.1439 
 C103O 	 CCCCC(O)C([O])CC(=O)CC 	 InChI=1S/C10H19O3/c1-3-5-6-9(12)10(13)7-8(11)4-2/h9-10,12H,3-7H2,1-2H3 	 187.2561 
 DIEKAOH 	 CCC(=O)C(C)O 	 InChI=1S/C5H10O2/c1-3-5(7)4(2)6/h4,6H,3H2,1-2H3 	 102.1317 
 C66NO35OH 	 CCCCC(O)CON(=O)=O 	 InChI=1S/C6H13NO4/c1-2-3-4-6(8)5-11-7(9)10/h6,8H,2-5H2,1H3 	 163.1717 
 HOC2H4CHO 	 OCCC=O 	 InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2 	 74.0785 
 PHIC3OH 	 CC(C)(O)c1ccccc1 	 InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3 	 136.1910 
 HEXAOH 	 CCCCCCO 	 InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3 	 102.1748 
 PHCOMEOOH 	 OOCC(=O)c1ccccc1 	 InChI=1S/C8H8O3/c9-8(6-11-10)7-4-2-1-3-5-7/h1-5,10H,6H2 	 152.1473 
 C141CO2H 	 CC(=O)CCC1C(CC1(C)C)C(=C)CCC(=O)O 	 InChI=1S/C15H24O3/c1-10(5-8-14(17)18)12-9-15(3,4)13(12)7-6-11(2)16/h12-13H,1,5-9H2,2-4H3,(H,17,18) 	 252.3493 
 C4DBMEPAN 	 CCC(=C(C)C(=O)OON(=O)=O)C(=O)C=O 	 InChI=1S/C8H9NO7/c1-3-6(7(11)4-10)5(2)8(12)15-16-9(13)14/h4H,3H2,1-2H3 	 231.1596 
 DNMXYOL 	 O=N(=O)c1c(C)cc(N(=O)=O)c(O)c1C 	 InChI=1S/C8H8N2O5/c1-4-3-6(9(12)13)8(11)5(2)7(4)10(14)15/h3,11H,1-2H3 	 212.1595 
 SBUACETAO 	 CCC(C)([O])OC(=O)C 	 InChI=1S/C6H11O3/c1-4-6(3,8)9-5(2)7/h4H2,1-3H3 	 131.1497 
 C3ME3CO2H 	 CC(C)CC(=O)O 	 InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) 	 102.1317 
 HEXAO2 	 CCCCCCO[O] 	 InChI=1S/C6H13O2/c1-2-3-4-5-6-8-7/h2-6H2,1H3 	 117.1662 
 PHIC3O2 	 [O]OC(C)(C)c1ccccc1 	 InChI=1S/C9H11O2/c1-9(2,11-10)8-6-4-3-5-7-8/h3-7H,1-2H3 	 151.1824 
 C61CO3 	 CCCC(=O)C(=O)C(O)C(=O)O[O] 	 InChI=1S/C7H9O6/c1-2-3-4(8)5(9)6(10)7(11)13-12/h6,10H,2-3H2,1H3 	 189.1428 
 PXNCATCOOH 	 OOC1(O)C(=C(C)C2(OOC1(C)C2O)N(=O)=O)O 	 InChI=1S/C8H11NO9/c1-3-4(10)8(12,16-15)6(2)5(11)7(3,9(13)14)18-17-6/h5,10-12,15H,1-2H3 	 265.1742 
 HOIPRCO3 	 OCC(C)C(=O)O[O] 	 InChI=1S/C4H7O4/c1-3(2-5)4(6)8-7/h3,5H,2H2,1H3 	 119.0960 
 C66NO35O2 	 CCCCC(O[O])CON(=O)=O 	 InChI=1S/C6H12NO5/c1-2-3-4-6(12-10)5-11-7(8)9/h6H,2-5H2,1H3 	 178.1632 
 DIEKAO2 	 CC(O[O])C(=O)CC 	 InChI=1S/C5H9O3/c1-3-5(6)4(2)8-7/h4H,3H2,1-2H3 	 117.1232 
 APINBNO3 	 O=N(=O)OC1CC2CC(C1(C)O)C2(C)C 	 InChI=1S/C10H17NO4/c1-9(2)6-4-7(9)10(3,12)8(5-6)15-11(13)14/h6-8,12H,4-5H2,1-3H3 	 215.2463 
 OETLBIPRO2 	 CCC1(O[O])C=CC2OOC1(C)C2O 	 InChI=1S/C9H13O5/c1-3-9(13-11)5-4-6-7(10)8(9,2)14-12-6/h4-7,10H,3H2,1-2H3 	 201.1965 
 HCOOH 	 OC=O 	 InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3) 	 46.0254 
 C58NO3PAN 	 OCC(C)(ON(=O)=O)C(O)C(=O)OON(=O)=O 	 InChI=1S/C5H8N2O10/c1-5(2-8,16-6(11)12)3(9)4(10)15-17-7(13)14/h3,8-9H,2H2,1H3 	 256.1244 
 BZFUONE 	 C1OC(=O)C=C1 	 InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2 	 84.0734 
 NMEBFUO 	 CCC1OC(=O)C(C)([O])C1ON(=O)=O 	 InChI=1S/C7H10NO6/c1-3-4-5(14-8(11)12)7(2,10)6(9)13-4/h4-5H,3H2,1-2H3 	 204.1574 
 C5CO23CHO 	 CCC(=O)C(=O)C=O 	 InChI=1S/C5H6O3/c1-2-4(7)5(8)3-6/h3H,2H2,1H3 	 114.0993 
 C4CHOAOOH 	 CCCC(OO)C=O 	 InChI=1S/C5H10O3/c1-2-3-5(4-6)8-7/h4-5,7H,2-3H2,1H3 	 118.1311 
 C4ME3HO12 	 OCC(O)C(C)C 	 InChI=1S/C5H12O2/c1-4(2)5(7)3-6/h4-7H,3H2,1-2H3 	 104.1476 
 BPINBO 	 [O]CC1(O)CCC2CC1C2(C)C 	 InChI=1S/C10H17O2/c1-9(2)7-3-4-10(12,6-11)8(9)5-7/h7-8,12H,3-6H2,1-2H3 	 169.2408 
 HO3C126O 	 CCCCCCC([O])CCC(O)CC 	 InChI=1S/C12H25O2/c1-3-5-6-7-8-12(14)10-9-11(13)4-2/h11-13H,3-10H2,1-2H3 	 201.3257 
 C718NO3 	 O=CC(C)(C)C(=O)CCON(=O)=O 	 InChI=1S/C7H11NO5/c1-7(2,5-9)6(10)3-4-13-8(11)12/h5H,3-4H2,1-2H3 	 189.1659 
 C810NO3 	 O=CCC(CC=O)C(C)(C)ON(=O)=O 	 InChI=1S/C8H13NO5/c1-8(2,14-9(12)13)7(3-5-10)4-6-11/h5-7H,3-4H2,1-2H3 	 203.1925 
 C710O2 	 CCC(C)(O[O])CC(=O)C 	 InChI=1S/C7H13O3/c1-4-7(3,10-9)5-6(2)8/h4-5H2,1-3H3 	 145.1763 
 HOCH2CO3 	 OCC(=O)O[O] 	 InChI=1S/C2H3O4/c3-1-2(4)6-5/h3H,1H2 	 91.0428 
 C917OOH 	 OOC(C)(C)C1CC(=O)CCC1=O 	 InChI=1S/C9H14O4/c1-9(2,13-12)7-5-6(10)3-4-8(7)11/h7,12H,3-5H2,1-2H3 	 186.2051 
 CH2OOG 	 [O-][O+]=C 	 InChI=1S/CH2O2/c1-3-2/h1H2 	 46.0254 
 CH2OOF 	 [O-][O+]=C 	 InChI=1S/CH2O2/c1-3-2/h1H2 	 46.0254 
 CH2OOE 	 [O-][O+]=C 	 InChI=1S/CH2O2/c1-3-2/h1H2 	 46.0254 
 CH2OOD 	 [O-][O+]=C 	 InChI=1S/CH2O2/c1-3-2/h1H2 	 46.0254 
 CH2OOC 	 [O-][O+]=C 	 InChI=1S/CH2O2/c1-3-2/h1H2 	 46.0254 
 CH2OOB 	 [O-][O+]=C 	 InChI=1S/CH2O2/c1-3-2/h1H2 	 46.0254 
 CH2OOA 	 [O-][O+]=C 	 InChI=1S/CH2O2/c1-3-2/h1H2 	 46.0254 
 CO3H4CO3H 	 CCC(=O)C(O)C(=O)OO 	 InChI=1S/C5H8O5/c1-2-3(6)4(7)5(8)10-9/h4,7,9H,2H2,1H3 	 148.1140 
 C63OOH 	 OCC(OO)CC(=O)CC 	 InChI=1S/C6H12O4/c1-2-5(8)3-6(4-7)10-9/h6-7,9H,2-4H2,1H3 	 148.1571 
 C4NO3CHO 	 CCC(C)(C=O)ON(=O)=O 	 InChI=1S/C5H9NO4/c1-3-5(2,4-7)10-6(8)9/h4H,3H2,1-2H3 	 147.1293 
 PR2OHMOXO 	 COC([O])C(C)O 	 InChI=1S/C4H9O3/c1-3(5)4(6)7-2/h3-5H,1-2H3 	 105.1125 
 PETLBIPRO 	 CCC12OOC(C2O)C(C)([O])C=C1 	 InChI=1S/C9H13O4/c1-3-9-5-4-8(2,11)7(6(9)10)12-13-9/h4-7,10H,3H2,1-2H3 	 185.1971 
 BUT2OLO 	 CC(=O)C(C)O 	 InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3 	 88.1051 
 NMETOL1O 	 CCc1cc(C)cc(N(=O)=O)c1[O] 	 InChI=1S/C9H10NO3/c1-3-7-4-6(2)5-8(9(7)11)10(12)13/h4-5H,3H2,1-2H3 	 180.1806 
 C511OOH 	 O=CCC(OO)C(=O)C 	 InChI=1S/C5H8O4/c1-4(7)5(9-8)2-3-6/h3,5,8H,2H2,1H3 	 132.1146 
 MC4CODBCO2 	 [O]C(=O)C=C(C)C(=O)C 	 InChI=1S/C6H7O3/c1-4(5(2)7)3-6(8)9/h3H,1-2H3 	 127.1180 
 MC4CODBCO3 	 [O]OC(=O)C=C(C)C(=O)C 	 InChI=1S/C6H7O4/c1-4(5(2)7)3-6(8)10-9/h3H,1-2H3 	 143.1174 
 PRCOOMO 	 CCCC(=O)OC[O] 	 InChI=1S/C5H9O3/c1-2-3-5(7)8-4-6/h2-4H2,1H3 	 117.1232 
 ETOMEO 	 CCOC[O] 	 InChI=1S/C3H7O2/c1-2-5-3-4/h2-3H2,1H3 	 75.0865 
 NBUACBOOH 	 CCC(OO)COC(=O)C 	 InChI=1S/C6H12O4/c1-3-6(10-8)4-9-5(2)7/h6,8H,3-4H2,1-2H3 	 148.1571 
 PXYMUCOOH 	 OOC(C(=O)C)C(O)C1(C)OC1C=O 	 InChI=1S/C8H12O6/c1-4(10)6(14-12)7(11)8(2)5(3-9)13-8/h3,5-7,11-12H,1-2H3 	 204.1773 
 MPRBNO3O 	 [O]CC(C)(C)ON(=O)=O 	 InChI=1S/C4H8NO4/c1-4(2,3-6)9-5(7)8/h3H2,1-2H3 	 134.1106 
 C53O 	 [O]CC(=O)C(C)CO 	 InChI=1S/C5H9O3/c1-4(2-6)5(8)3-7/h4,6H,2-3H2,1H3 	 117.1232 
 C828CO3 	 [O]OC(=O)C(C)(C)C(=O)C(=O)CC(=O)C 	 InChI=1S/C9H11O6/c1-5(10)4-6(11)7(12)9(2,3)8(13)15-14/h4H2,1-3H3 	 215.1800 
 MEKAO2 	 [O]OCCC(=O)C 	 InChI=1S/C4H7O3/c1-4(5)2-3-7-6/h2-3H2,1H3 	 103.0966 
 IPNNCATCO2 	 [O]OC1(O)C(=C(N(=O)=O)C2OOC1(C(C)C)C2ON(=O)=O)O 	 InChI=1S/C9H11N2O11/c1-3(2)8-7(19-11(16)17)5(20-22-8)4(10(14)15)6(12)9(8,13)21-18/h3,5,7,12-13H,1-2H3 	 323.1904 
 PE2ONE1OOH 	 CCCC(=O)COO 	 InChI=1S/C5H10O3/c1-2-3-5(6)4-8-7/h7H,2-4H2,1H3 	 118.1311 
 MC7CO2O2 	 CC(O[O])(C=CC=O)C(=O)CC 	 InChI=1S/C8H11O4/c1-3-7(10)8(2,12-11)5-4-6-9/h4-6H,3H2,1-2H3 	 171.1705 
 METLBIPRO 	 CCC12OOC(C)(C=CC1[O])C2O 	 InChI=1S/C9H13O4/c1-3-9-6(10)4-5-8(2,7(9)11)12-13-9/h4-7,11H,3H2,1-2H3 	 185.1971 
 C68O 	 CC([O])(CC=O)C(C)O 	 InChI=1S/C6H11O3/c1-5(8)6(2,9)3-4-7/h4-5,8H,3H2,1-2H3 	 131.1497 
 ACETMECO3H 	 CC(=O)OCC(=O)OO 	 InChI=1S/C4H6O5/c1-3(5)8-2-4(6)9-7/h7H,2H2,1H3 	 134.0874 
 MC7CO2OH 	 CC(O)(C=CC=O)C(=O)CC 	 InChI=1S/C8H12O3/c1-3-7(10)8(2,11)5-4-6-9/h4-6,11H,3H2,1-2H3 	 156.1791 
 LIMALAOOH 	 O=CCC(CC(OO)C(=O)C)C(=C)C 	 InChI=1S/C10H16O4/c1-7(2)9(4-5-11)6-10(14-13)8(3)12/h5,9-10,13H,1,4,6H2,2-3H3 	 200.2316 
 MEKAOH 	 CC(=O)CCO 	 InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3 	 88.1051 
 C65OOH 	 OOC(C)(C=O)CC(=O)C 	 InChI=1S/C6H10O4/c1-5(8)3-6(2,4-7)10-9/h4,9H,3H2,1-2H3 	 146.1412 
 C7DCOOH 	 CCCC(=O)C(OO)C(O)C=O 	 InChI=1S/C7H12O5/c1-2-3-5(9)7(12-11)6(10)4-8/h4,6-7,10-11H,2-3H2,1H3 	 176.1672 
 PROL1MCHO 	 CC(O)(CC)C=O 	 InChI=1S/C5H10O2/c1-3-5(2,7)4-6/h4,7H,3H2,1-2H3 	 102.1317 
 C4MCO2O 	 O=CC(C)([O])C(=O)C 	 InChI=1S/C5H7O3/c1-4(7)5(2,8)3-6/h3H,1-2H3 	 115.1073 
 H1CO23CHO 	 OCC(=O)C(=O)C=O 	 InChI=1S/C4H4O4/c5-1-3(7)4(8)2-6/h1,6H,2H2 	 116.0722 
 NMXYFUOOH 	 OOC1(C)C(=O)OC(C)C1ON(=O)=O 	 InChI=1S/C6H9NO7/c1-3-4(13-7(9)10)6(2,14-11)5(8)12-3/h3-4,11H,1-2H3 	 207.1382 
 DMSO2 	 CS(=O)(=O)C 	 InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3 	 94.1328 
 HEX3ONE 	 CCCC(=O)CC 	 InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3 	 100.1589 
 C929O 	 OCC(C)(C)C(=O)C([O])CC(=O)C 	 InChI=1S/C9H15O4/c1-6(11)4-7(12)8(13)9(2,3)5-10/h7,10H,4-5H2,1-3H3 	 187.2130 
 HOC4CHOO 	 [O]C(CCCO)C=O 	 InChI=1S/C5H9O3/c6-3-1-2-5(8)4-7/h4-6H,1-3H2 	 117.1232 
 C126OOH 	 OOCCC(=C)C1CC(C)(C)C1CC=O 	 InChI=1S/C12H20O3/c1-9(5-7-15-14)10-8-12(2,3)11(10)4-6-13/h6,10-11,14H,1,4-5,7-8H2,2-3H3 	 212.2854 
 MPHCOMEOOH 	 OOCC(=O)c1ccccc1C 	 InChI=1S/C9H10O3/c1-7-4-2-3-5-8(7)9(10)6-12-11/h2-5,11H,6H2,1H3 	 166.1739 
 C82O 	 CCC(=O)CC([O])C(O)CC 	 InChI=1S/C8H15O3/c1-3-6(9)5-8(11)7(10)4-2/h7-8,10H,3-5H2,1-2H3 	 159.2029 
 C617OH 	 OCC(=O)C(C)(C)C=O 	 InChI=1S/C6H10O3/c1-6(2,4-8)5(9)3-7/h4,7H,3H2,1-2H3 	 130.1418 
 DIEKAO 	 CCC(=O)C(C)[O] 	 InChI=1S/C5H9O2/c1-3-5(7)4(2)6/h4H,3H2,1-2H3 	 101.1238 
 NLIMOOH 	 [O-][N+](=O)OC1CC(CCC1(C)OO)C(=C)C 	 InChI=1S/C10H17NO5/c1-7(2)8-4-5-10(3,16-14)9(6-8)15-11(12)13/h8-9,14H,1,4-6H2,2-3H3 	 231.2457 
 CH3CCL2O 	 CC([O])(Cl)Cl 	 InChI=1S/C2H3Cl2O/c1-2(3,4)5/h1H3 	 113.9506 
 C821O 	 CC(=O)CC([O])C(=O)C(=O)C 	 InChI=1S/C7H9O4/c1-4(8)3-6(10)7(11)5(2)9/h6H,3H2,1-2H3 	 157.1440 
 C522CO2H 	 O=CCCC(=C)C(=O)O 	 InChI=1S/C6H8O3/c1-5(6(8)9)3-2-4-7/h4H,1-3H2,(H,8,9) 	 128.1259 
 C7DCCO3H 	 CCCC(=O)C=CC(=O)OO 	 InChI=1S/C7H10O4/c1-2-3-6(8)4-5-7(9)11-10/h4-5,10H,2-3H2,1H3 	 158.1519 
 CHCL2CHCL2 	 ClC(Cl)C(Cl)Cl 	 InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H 	 167.8493 
 HOCH2CH2O2 	 OCCO[O] 	 InChI=1S/C2H5O3/c3-1-2-5-4/h3H,1-2H2 	 77.0593 
 NSTYRENEO 	 O=N(=O)OCC([O])c1ccccc1 	 InChI=1S/C8H8NO4/c10-8(6-13-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6H2 	 182.1534 
 CO12C4CHO 	 O=CCCC(=O)C=O 	 InChI=1S/C5H6O3/c6-3-1-2-5(8)4-7/h3-4H,1-2H2 	 114.0993 
 IEAPAN 	 O=N(=O)OOC(=O)C(C)(O)C1OC1 	 InChI=1S/C5H7NO7/c1-5(8,3-2-11-3)4(7)12-13-6(9)10/h3,8H,2H2,1H3 	 193.1116 
 C617O2 	 [O]OCC(=O)C(C)(C)C=O 	 InChI=1S/C6H9O4/c1-6(2,4-7)5(8)3-10-9/h4H,3H2,1-2H3 	 145.1333 
 DETLMUCO 	 CCC(=O)C(O)C(C)([O])C1OC1(CC)C=O 	 InChI=1S/C11H17O5/c1-4-7(13)8(14)10(3,15)9-11(5-2,6-12)16-9/h6,8-9,14H,4-5H2,1-3H3 	 229.2497 
 BUTALNO3 	 O=CCC(C)ON(=O)=O 	 InChI=1S/C4H7NO4/c1-4(2-3-6)9-5(7)8/h3-4H,2H2,1H3 	 133.1027 
 DE35TNO3 	 CCc1cc(C)cc(c1)C(C)ON(=O)=O 	 InChI=1S/C11H15NO3/c1-4-10-5-8(2)6-11(7-10)9(3)15-12(13)14/h5-7,9H,4H2,1-3H3 	 209.2417 
 C729O 	 CC(=C)C(CC=O)C[O] 	 InChI=1S/C7H11O2/c1-6(2)7(5-9)3-4-8/h4,7H,1,3,5H2,2H3 	 127.1610 
 ME3BUOL 	 OCCC(C)C 	 InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3 	 88.1482 
 COC4NO3OOH 	 OOC(C)C(=O)CON(=O)=O 	 InChI=1S/C4H7NO6/c1-3(11-9)4(6)2-10-5(7)8/h3,9H,2H2,1H3 	 165.1015 
 NCATECHOL 	 O=N(=O)c1ccc(O)c(O)c1 	 InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H 	 155.1082 
 ETBEAPAN 	 CCOC(C)(C)C(=O)OON(=O)=O 	 InChI=1S/C6H11NO6/c1-4-11-6(2,3)5(8)12-13-7(9)10/h4H2,1-3H3 	 193.1546 
 C622CO3 	 OCC(CC(=O)O[O])C(=C)C 	 InChI=1S/C7H11O4/c1-5(2)6(4-8)3-7(9)11-10/h6,8H,1,3-4H2,2H3 	 159.1598 
 MACROHO2 	 CC(O)(CO[O])C=O 	 InChI=1S/C4H7O4/c1-4(6,2-5)3-8-7/h2,6H,3H2,1H3 	 119.0960 
 C629OOA 	 [O-][O+]=C(C)C(CCO)C=O 	 InChI=1S/C6H10O4/c1-5(10-9)6(4-8)2-3-7/h4,6-7H,2-3H2,1H3 	 146.1412 
 C127OOH 	 OCCC(=C)C1(OO)CC(C)(C)C1CC=O 	 InChI=1S/C12H20O4/c1-9(4-6-13)12(16-15)8-11(2,3)10(12)5-7-14/h7,10,13,15H,1,4-6,8H2,2-3H3 	 228.2848 
 ETOLNO3 	 O=N(=O)OC(C)c1ccccc1C 	 InChI=1S/C9H11NO3/c1-7-5-3-4-6-9(7)8(2)13-10(11)12/h3-6,8H,1-2H3 	 181.1885 
 NPXYQOOH 	 OOC1(C)C(=O)C=C(C)C(=O)C1ON(=O)=O 	 InChI=1S/C8H9NO7/c1-4-3-5(10)8(2,16-14)7(6(4)11)15-9(12)13/h3,7,14H,1-2H3 	 231.1596 
 H1C23C4CO3 	 [O]OC(=O)CC(=O)C(=O)CO 	 InChI=1S/C5H5O6/c6-2-4(8)3(7)1-5(9)11-10/h6H,1-2H2 	 161.0896 
 C823CO3H 	 OOC(=O)CC(CCC(=O)O)C(=C)C 	 InChI=1S/C9H14O5/c1-6(2)7(3-4-8(10)11)5-9(12)14-13/h7,13H,1,3-5H2,2H3,(H,10,11) 	 202.2045 
 ETACETNO3 	 CC(=O)OC(C)ON(=O)=O 	 InChI=1S/C4H7NO5/c1-3(6)9-4(2)10-5(7)8/h4H,1-2H3 	 149.1021 
 C711OOH 	 CC(O)(CC(=O)COO)CC 	 InChI=1S/C7H14O4/c1-3-7(2,9)4-6(8)5-11-10/h9-10H,3-5H2,1-2H3 	 162.1837 
 INB1NO3 	 OCC(ON(=O)=O)C(C)(CO)ON(=O)=O 	 InChI=1S/C5H10N2O8/c1-5(3-9,15-7(12)13)4(2-8)14-6(10)11/h4,8-9H,2-3H2,1H3 	 226.1415 
 BUTALAO2 	 CCC(O[O])C=O 	 InChI=1S/C4H7O3/c1-2-4(3-5)7-6/h3-4H,2H2,1H3 	 103.0966 
 CH3CO2H 	 CC(=O)O 	 InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4) 	 60.0520 
 CL2OHCHO 	 O=CC(O)(Cl)Cl 	 InChI=1S/C2H2Cl2O2/c3-2(4,6)1-5/h1,6H 	 128.9421 
 EMPHCOMOOH 	 OOCC(=O)c1cc(C)cc(CC)c1 	 InChI=1S/C11H14O3/c1-3-9-4-8(2)5-10(6-9)11(12)7-14-13/h4-6,13H,3,7H2,1-2H3 	 194.2271 
 C3COCCHO 	 CCCC(=O)CC=O 	 InChI=1S/C6H10O2/c1-2-3-6(8)4-5-7/h5H,2-4H2,1H3 	 114.1424 
 APINAOOH 	 OOC1(C)C(O)CC2CC1C2(C)C 	 InChI=1S/C10H18O3/c1-9(2)6-4-7(9)10(3,13-12)8(11)5-6/h6-8,11-12H,4-5H2,1-3H3 	 186.2481 
 IPMLNHYOOH 	 OOC1(C(C)C)C(=O)OC(=O)C1O 	 InChI=1S/C7H10O6/c1-3(2)7(13-11)4(8)5(9)12-6(7)10/h3-4,8,11H,1-2H3 	 190.1507 
 CO25C6 	 CC(=O)CCC(=O)C 	 InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3 	 114.1424 
 CO25C7 	 CCC(=O)CCC(=O)C 	 InChI=1S/C7H12O2/c1-3-7(9)5-4-6(2)8/h3-5H2,1-2H3 	 128.1690 
 C928O2 	 [O]OCC(C)(C)C(=O)CCC(=O)C 	 InChI=1S/C9H15O4/c1-7(10)4-5-8(11)9(2,3)6-13-12/h4-6H2,1-3H3 	 187.2130 
 C4CHOBNO3 	 O=CCC(CC)ON(=O)=O 	 InChI=1S/C5H9NO4/c1-2-5(3-4-7)10-6(8)9/h4-5H,2-3H2,1H3 	 147.1293 
 C715OOH 	 OOC(C)(C(=O)C)C(=O)C(=O)C 	 InChI=1S/C7H10O5/c1-4(8)6(10)7(3,12-11)5(2)9/h11H,1-3H3 	 174.1513 
 C5DBCOCO2H 	 OC(=O)C=C(C)C(=O)C 	 InChI=1S/C6H8O3/c1-4(5(2)7)3-6(8)9/h3H,1-2H3,(H,8,9) 	 128.1259 
 HO3C4O2 	 CCC(O)CO[O] 	 InChI=1S/C4H9O3/c1-2-4(5)3-7-6/h4-5H,2-3H2,1H3 	 105.1125 
 C6CO3OH5O 	 CC(O)CC(=O)C(C)[O] 	 InChI=1S/C6H11O3/c1-4(7)3-6(9)5(2)8/h4-5,7H,3H2,1-2H3 	 131.1497 
 NMETOL1OOH 	 OOc1c(CC)cc(C)cc1N(=O)=O 	 InChI=1S/C9H11NO4/c1-3-7-4-6(2)5-8(10(11)12)9(7)14-13/h4-5,13H,3H2,1-2H3 	 197.1879 
 C3DIALO2 	 [O]OC(C=O)C=O 	 InChI=1S/C3H3O4/c4-1-3(2-5)7-6/h1-3H 	 103.0535 
 EPXEKTCO2H 	 CCC1(OC1C(=O)C)C(=O)O 	 InChI=1S/C7H10O4/c1-3-7(6(9)10)5(11-7)4(2)8/h5H,3H2,1-2H3,(H,9,10) 	 158.1519 
 EMPHOOH 	 CCc1cc(OO)cc(C)c1 	 InChI=1S/C9H12O2/c1-3-8-4-7(2)5-9(6-8)11-10/h4-6,10H,3H2,1-2H3 	 152.1904 
 ACETMEPAN 	 O=C(COC(=O)C)OON(=O)=O 	 InChI=1S/C4H5NO7/c1-3(6)10-2-4(7)11-12-5(8)9/h2H2,1H3 	 179.0850 
 CPENT2ENE 	 CC/C=C\C 	 InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3- 	 70.1329 
 NORLIMOOH 	 O=CC(CCC(=O)C)C(C)(CO)OO 	 InChI=1S/C9H16O5/c1-7(12)3-4-8(5-10)9(2,6-11)14-13/h5,8,11,13H,3-4,6H2,1-2H3 	 204.2203 
 DNOETOLO 	 CCC12OOC(N(=O)=O)(C2O)C([O])(O)C(=C1C)N(=O)=O 	 InChI=1S/C9H11N2O9/c1-3-7-4(2)5(10(15)16)9(13,14)8(6(7)12,11(17)18)20-19-7/h6,12-13H,3H2,1-2H3 	 291.1916 
 MCOOTBO 	 [O]CC(C)(C)OC(=O)C 	 InChI=1S/C6H11O3/c1-5(8)9-6(2,3)4-7/h4H2,1-3H3 	 131.1497 
 NOPINBOOH 	 OOC1C2CCC(=O)C1C2(C)C 	 InChI=1S/C9H14O3/c1-9(2)5-3-4-6(10)7(9)8(5)12-11/h5,7-8,11H,3-4H2,1-2H3 	 170.2057 
 NDNT123OOH 	 OOC1(O)C(=C(C)C2(C)OOC1(N(=O)=O)C2(C)ON(=O)=O)N(=O)=O 	 InChI=1S/C9H11N3O12/c1-4-5(10(14)15)8(13,22-20)9(11(16)17)7(3,21-12(18)19)6(4,2)23-24-9/h13,20H,1-3H3 	 353.1965 
 C928OH 	 OCC(C)(C)C(=O)CCC(=O)C 	 InChI=1S/C9H16O3/c1-7(11)4-5-8(12)9(2,3)6-10/h10H,4-6H2,1-3H3 	 172.2215 
 HO3C4OOH 	 CCC(O)COO 	 InChI=1S/C4H10O3/c1-2-4(5)3-7-6/h4-6H,2-3H2,1H3 	 106.1204 
 C114OOH 	 CCCCCC(=O)C(OO)CC(=O)CC 	 InChI=1S/C11H20O4/c1-3-5-6-7-10(13)11(15-14)8-9(12)4-2/h11,14H,3-8H2,1-2H3 	 216.2741 
 C519OOH 	 OCCC(OO)C(=O)C 	 InChI=1S/C5H10O4/c1-4(7)5(9-8)2-3-6/h5-6,8H,2-3H2,1H3 	 134.1305 
 BOX2E2OH 	 CCCCOC(O)CO 	 InChI=1S/C6H14O3/c1-2-3-4-9-6(8)5-7/h6-8H,2-5H2,1H3 	 134.1736 
 NBUTOLBNO3 	 OCCC(C)ON(=O)=O 	 InChI=1S/C4H9NO4/c1-4(2-3-6)9-5(7)8/h4,6H,2-3H2,1H3 	 135.1186 
 ECO3CO3 	 CCC(=O)C(=O)C(=O)C(=O)O[O] 	 InChI=1S/C6H5O6/c1-2-3(7)4(8)5(9)6(10)12-11/h2H2,1H3 	 173.1003 
 INB2O2 	 [O]OCC(O)C(C)(CO)ON(=O)=O 	 InChI=1S/C5H10NO7/c1-5(3-7,13-6(9)10)4(8)2-12-11/h4,7-8H,2-3H2,1H3 	 196.1354 
 BCALCCO 	 O=CC(=O)CC(=C)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C15H22O3/c1-10(7-12(18)9-16)13-8-15(3,4)14(13)6-5-11(2)17/h9,13-14H,1,5-8H2,2-4H3 	 250.3334 
 PETLBPROOH 	 OOC1(C)C=CC2(CC)OOC1C2O 	 InChI=1S/C9H14O5/c1-3-9-5-4-8(2,13-11)7(6(9)10)12-14-9/h4-7,10-11H,3H2,1-2H3 	 202.2045 
 C624O 	 CC(=C)C([O])CCO 	 InChI=1S/C6H11O2/c1-5(2)6(8)3-4-7/h6-7H,1,3-4H2,2H3 	 115.1503 
 C6O4KETO2 	 CC(=O)C(=O)OC(=O)C(=O)CO[O] 	 InChI=1S/C6H5O7/c1-3(7)5(9)13-6(10)4(8)2-12-11/h2H2,1H3 	 189.0997 
 PBENZOOH 	 CCCc1ccccc1OO 	 InChI=1S/C9H12O2/c1-2-5-8-6-3-4-7-9(8)11-10/h3-4,6-7,10H,2,5H2,1H3 	 152.1904 
 CH3COCL 	 CC(=O)Cl 	 InChI=1S/C2H3ClO/c1-2(3)4/h1H3 	 78.4976 
 NIPRBQO2 	 [O]OC1C(=O)C=C(C(C)C)C(=O)C1ON(=O)=O 	 InChI=1S/C9H10NO7/c1-4(2)5-3-6(11)8(17-15)9(7(5)12)16-10(13)14/h3-4,8-9H,1-2H3 	 244.1782 
 M2BUOL2NO3 	 CCC(C)(CO)ON(=O)=O 	 InChI=1S/C5H11NO4/c1-3-5(2,4-7)10-6(8)9/h7H,3-4H2,1-2H3 	 149.1451 
 DNT124LOOH 	 OOC1(O)C(=C(C)C2(OOC1(C)C2(C)O)N(=O)=O)N(=O)=O 	 InChI=1S/C9H12N2O10/c1-4-5(10(14)15)9(13,19-18)7(3)6(2,12)8(4,11(16)17)21-20-7/h12-13,18H,1-3H3 	 308.1990 
 DIETETOH 	 CCOC(C)O 	 InChI=1S/C4H10O2/c1-3-6-4(2)5/h4-5H,3H2,1-2H3 	 90.1210 
 PINONIC 	 OC(=O)CC1CC(C(=O)C)C1(C)C 	 InChI=1S/C10H16O3/c1-6(11)8-4-7(5-9(12)13)10(8,2)3/h7-8H,4-5H2,1-3H3,(H,12,13) 	 184.2322 
 C1211CO2H 	 OC(=O)CCC(=O)C1CC(C)(C)C1CCC(=O)O 	 InChI=1S/C13H20O5/c1-13(2)7-8(9(13)3-5-11(15)16)10(14)4-6-12(17)18/h8-9H,3-7H2,1-2H3,(H,15,16)(H,17,18) 	 256.2949 
 C2OHOCO2H 	 OCC(O)C(=O)O 	 InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7) 	 106.0773 
 C85OOH 	 OOC1CC(C(=O)C)C1(C)C 	 InChI=1S/C8H14O3/c1-5(9)6-4-7(11-10)8(6,2)3/h6-7,10H,4H2,1-3H3 	 158.1950 
 ISOPBOH 	 CC(O)(CO)C=C 	 InChI=1S/C5H10O2/c1-3-5(2,7)4-6/h3,6-7H,1,4H2,2H3 	 102.1317 
 C135O2 	 OCC(O[O])C(=O)C(=O)C(=O)C(C)(C)C(=O)CCC(=O)C 	 InChI=1S/C13H17O8/c1-7(15)4-5-9(16)13(2,3)12(19)11(18)10(17)8(6-14)21-20/h8,14H,4-6H2,1-3H3 	 301.2693 
 HOBUT2CO2H 	 OCCC(C)C(=O)O 	 InChI=1S/C5H10O3/c1-4(2-3-6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8) 	 118.1311 
 CCL3CO3H 	 OOC(=O)C(Cl)(Cl)Cl 	 InChI=1S/C2HCl3O3/c3-2(4,5)1(6)8-7/h7H 	 179.3865 
 BCALCO 	 O=CC([O])CC(=C)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C15H23O3/c1-10(7-12(18)9-16)13-8-15(3,4)14(13)6-5-11(2)17/h9,12-14H,1,5-8H2,2-4H3 	 251.3413 
 C69OOH 	 OOCC(=O)C(C)C(C)O 	 InChI=1S/C6H12O4/c1-4(5(2)7)6(8)3-10-9/h4-5,7,9H,3H2,1-2H3 	 148.1571 
 ISOPBO2 	 OCC(C)(O[O])C=C 	 InChI=1S/C5H9O3/c1-3-5(2,4-6)8-7/h3,6H,1,4H2,2H3 	 117.1232 
 C6COCHOO2 	 [O]OCCCC(=O)CC=O 	 InChI=1S/C6H9O4/c7-4-3-6(8)2-1-5-10-9/h4H,1-3,5H2 	 145.1333 
 BOXPR2OH 	 CCCCOC(O)C(C)O 	 InChI=1S/C7H16O3/c1-3-4-5-10-7(9)6(2)8/h6-9H,3-5H2,1-2H3 	 148.2001 
 C6TRONOHO 	 [O]C(CC=O)C(=O)C(=O)CO 	 InChI=1S/C6H7O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4,8H,1,3H2 	 159.1168 
 C126OOA 	 O=CCCC(=[O+][O-])C1CC(C)(C)C1CC=O 	 InChI=1S/C12H18O4/c1-12(2)8-9(10(12)5-7-14)11(16-15)4-3-6-13/h6-7,9-10H,3-5,8H2,1-2H3 	 226.2689 
 M3HEXBO 	 CCCC(C)([O])CC 	 InChI=1S/C7H15O/c1-4-6-7(3,8)5-2/h4-6H2,1-3H3 	 115.1934 
 DIIPRETO 	 CC(C)OC(C)(C)[O] 	 InChI=1S/C6H13O2/c1-5(2)8-6(3,4)7/h5H,1-4H3 	 117.1662 
 PHPTN 	 CCCCCCC(=O)OON(=O)=O 	 InChI=1S/C7H13NO5/c1-2-3-4-5-6-7(9)12-13-8(10)11/h2-6H2,1H3 	 191.1818 
 PRONFORMO 	 O=COC([O])C(=O)C 	 InChI=1S/C4H5O4/c1-3(6)4(7)8-2-5/h2,4H,1H3 	 117.0801 
 MCOOTBNO3 	 O=N(=O)OCC(C)(C)OC(=O)C 	 InChI=1S/C6H11NO5/c1-5(8)12-6(2,3)4-11-7(9)10/h4H2,1-3H3 	 177.1552 
 PBZMUCO2 	 CCCC(=O)C(O[O])C(O)C1OC1C=O 	 InChI=1S/C9H13O6/c1-2-3-5(11)8(15-13)7(12)9-6(4-10)14-9/h4,6-9,12H,2-3H2,1H3 	 217.1959 
 C5134CO2OH 	 O=CC(O)C(=O)C(=O)C 	 InChI=1S/C5H6O4/c1-3(7)5(9)4(8)2-6/h2,4,8H,1H3 	 130.0987 
 CHCL2CO3 	 [O]OC(=O)C(Cl)Cl 	 InChI=1S/C2HCl2O3/c3-1(4)2(5)7-6/h1H 	 143.9335 
 C4CONO3O 	 O=CC(ON(=O)=O)C(C)[O] 	 InChI=1S/C4H6NO5/c1-3(7)4(2-6)10-5(8)9/h2-4H,1H3 	 148.0941 
 H3M3C6O 	 [O]CCCC(C)(O)CC 	 InChI=1S/C7H15O2/c1-3-7(2,9)5-4-6-8/h9H,3-6H2,1-2H3 	 131.1928 
 C519O 	 CC(=O)C([O])CCO 	 InChI=1S/C5H9O3/c1-4(7)5(8)2-3-6/h5-6H,2-3H2,1H3 	 117.1232 
 OCTNO3 	 CCCCCC(CC)ON(=O)=O 	 InChI=1S/C8H17NO3/c1-3-5-6-7-8(4-2)12-9(10)11/h8H,3-7H2,1-2H3 	 175.2255 
 INAO 	 OCC(C)([O])C(O)CON(=O)=O 	 InChI=1S/C5H10NO6/c1-5(9,3-7)4(8)2-12-6(10)11/h4,7-8H,2-3H2,1H3 	 180.1360 
 C76O2 	 [O]OCC(=O)CC(O)C(C)C 	 InChI=1S/C7H13O4/c1-5(2)7(9)3-6(8)4-11-10/h5,7,9H,3-4H2,1-2H3 	 161.1757 
 NC524O 	 OCC(ON(=O)=O)C([O])(CO)CO 	 InChI=1S/C5H10NO7/c7-1-4(13-6(11)12)5(10,2-8)3-9/h4,7-9H,1-3H2 	 196.1354 
 TMBCO2H 	 Cc1cc(C)cc(c1)C(=O)O 	 InChI=1S/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11) 	 150.1745 
 C151O 	 OCC([O])(CCC(=O)O)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C15H25O5/c1-10(17)4-5-11-12(8-14(11,2)3)15(20,9-16)7-6-13(18)19/h11-12,16H,4-9H2,1-3H3,(H,18,19) 	 285.3560 
 DMEBMUO3H 	 CCC(=O)C=C(C)C1OC1(C)C(=O)OO 	 InChI=1S/C10H14O5/c1-4-7(11)5-6(2)8-10(3,14-8)9(12)15-13/h5,8,13H,4H2,1-3H3 	 214.2152 
 CH2CL3O 	 ClCC([O])(Cl)Cl 	 InChI=1S/C2H2Cl3O/c3-1-2(4,5)6/h1H2 	 148.3957 
 NCATECO2 	 [O]OC1(O)C(=CC2(OOC1C2O)N(=O)=O)O 	 InChI=1S/C6H6NO9/c8-2-1-5(7(11)12)3(9)4(14-16-5)6(2,10)15-13/h1,3-4,8-10H 	 236.1131 
 M2PEANO3 	 CCCC(C)CON(=O)=O 	 InChI=1S/C6H13NO3/c1-3-4-6(2)5-10-7(8)9/h6H,3-5H2,1-2H3 	 147.1723 
 EOX2OLAOOH 	 CCOC(CO)OO 	 InChI=1S/C4H10O4/c1-2-7-4(3-5)8-6/h4-6H,2-3H2,1H3 	 122.1198 
 M22C4NO3 	 O=N(=O)OCCC(C)(C)C 	 InChI=1S/C6H13NO3/c1-6(2,3)4-5-10-7(8)9/h4-5H2,1-3H3 	 147.1723 
 C51OH2CO 	 CCCC(=O)CO 	 InChI=1S/C5H10O2/c1-2-3-5(7)4-6/h6H,2-4H2,1H3 	 102.1317 
 INAHPCO3H 	 OOC(=O)C(C)(OO)C(O)CON(=O)=O 	 InChI=1S/C5H9NO9/c1-5(15-12,4(8)14-11)3(7)2-13-6(9)10/h3,7,11-12H,2H2,1H3 	 227.1263 
 PBZMUCOH 	 CCCC(=O)C(O)C(O)C1OC1C=O 	 InChI=1S/C9H14O5/c1-2-3-5(11)7(12)8(13)9-6(4-10)14-9/h4,6-9,12-13H,2-3H2,1H3 	 202.2045 
 C105O 	 CCCCC(=O)C(=O)C([O])C(=O)CC 	 InChI=1S/C10H15O4/c1-3-5-6-8(12)10(14)9(13)7(11)4-2/h9H,3-6H2,1-2H3 	 199.2237 
 CHCL2CH2O 	 [O]CC(Cl)Cl 	 InChI=1S/C2H3Cl2O/c3-2(4)1-5/h2H,1H2 	 113.9506 
 C721CO3 	 [O]OC(=O)C1CC(C(=O)O)C1(C)C 	 InChI=1S/C8H11O5/c1-8(2)4(6(9)10)3-5(8)7(11)13-12/h4-5H,3H2,1-2H3,(H,9,10) 	 187.1699 
 IPRMEETO2 	 COC(C)(C)O[O] 	 InChI=1S/C4H9O3/c1-4(2,6-3)7-5/h1-3H3 	 105.1125 
 IPBENZOOH 	 OOc1ccccc1C(C)C 	 InChI=1S/C9H12O2/c1-7(2)8-5-3-4-6-9(8)11-10/h3-7,10H,1-2H3 	 152.1904 
 HYPROPO2 	 OCC(C)O[O] 	 InChI=1S/C3H7O3/c1-3(2-4)6-5/h3-4H,2H2,1H3 	 91.0859 
 MVKO2 	 [O]OCC(=O)C=C 	 InChI=1S/C4H5O3/c1-2-4(5)3-7-6/h2H,1,3H2 	 101.0807 
 PHCOCOME 	 O=C(C(=O)C)c1ccccc1 	 InChI=1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3 	 148.1586 
 EBZBPER2OH 	 CCC12OOC(C(O)C=C1)C2O 	 InChI=1S/C8H12O4/c1-2-8-4-3-5(9)6(7(8)10)11-12-8/h3-7,9-10H,2H2,1H3 	 172.1785 
 OXYMUCCO3H 	 CC1(OC1(C)C(=O)OO)C=CC=O 	 InChI=1S/C8H10O5/c1-7(4-3-5-9)8(2,13-7)6(10)12-11/h3-5,11H,1-2H3 	 186.1620 
 C5CO234OOH 	 CC(=O)C(=O)C(=O)COO 	 InChI=1S/C5H6O5/c1-3(6)5(8)4(7)2-10-9/h9H,2H2,1H3 	 146.0981 
 MVKOH 	 OCC(=O)C=C 	 InChI=1S/C4H6O2/c1-2-4(6)3-5/h2,5H,1,3H2 	 86.0892 
 C89OOH 	 O=CCC1CC(OO)C1(C)C 	 InChI=1S/C8H14O3/c1-8(2)6(3-4-9)5-7(8)11-10/h4,6-7,10H,3,5H2,1-2H3 	 158.1950 
 ACETC2CO3 	 [O]OC(=O)CCOC(=O)C 	 InChI=1S/C5H7O5/c1-4(6)9-3-2-5(7)10-8/h2-3H2,1H3 	 147.1061 
 MVKOO 	 [O-][O+]=C(C)C=C 	 InChI=1S/C4H6O2/c1-3-4(2)6-5/h3H,1H2,2H3 	 86.0892 
 C8DBCO2PAN 	 O=CC(=O)C=C(C(C)C)C(=O)OON(=O)=O 	 InChI=1S/C8H9NO7/c1-5(2)7(3-6(11)4-10)8(12)15-16-9(13)14/h3-5H,1-2H3 	 231.1596 
 C721O2 	 [O]OC1CC(C(=O)O)C1(C)C 	 InChI=1S/C7H11O4/c1-7(2)4(6(8)9)3-5(7)11-10/h4-5H,3H2,1-2H3,(H,8,9) 	 159.1598 
 NNCATECO 	 O=N(=O)OC1C2OOC1(C=C(O)C2([O])O)N(=O)=O 	 InChI=1S/C6H5N2O10/c9-2-1-5(7(12)13)3(16-8(14)15)4(17-18-5)6(2,10)11/h1,3-4,9-10H 	 265.1113 
 NC3CO2H 	 O=N(=O)OCC=CC(=O)O 	 InChI=1S/C4H5NO5/c6-4(7)2-1-3-10-5(8)9/h1-2H,3H2,(H,6,7) 	 147.0862 
 NCRESOOH 	 OOC1(O)C=CC2(C)OOC1C2ON(=O)=O 	 InChI=1S/C7H9NO8/c1-6-2-3-7(9,15-12)5(14-16-6)4(6)13-8(10)11/h2-5,9,12H,1H3 	 235.1483 
 IPRMEETOH 	 COC(C)(C)O 	 InChI=1S/C4H10O2/c1-4(2,5)6-3/h5H,1-3H3 	 90.1210 
 NMETOLOH 	 CCC12C=CC(O)(O)C(C)(OO1)C2ON(=O)=O 	 InChI=1S/C9H13NO7/c1-3-8-4-5-9(11,12)7(2,16-17-8)6(8)15-10(13)14/h4-6,11-12H,3H2,1-2H3 	 247.2020 
 CH3COPAN 	 O=N(=O)OOC(=O)C(=O)C 	 InChI=1S/C3H3NO6/c1-2(5)3(6)9-10-4(7)8/h1H3 	 149.0590 
 TM135BPOOH 	 OOC1C(=CC2(C)OOC1(C)C2O)C 	 InChI=1S/C9H14O5/c1-5-4-8(2)7(10)9(3,14-13-8)6(5)12-11/h4,6-7,10-11H,1-3H3 	 202.2045 
 C619OOH 	 OOC1CC(=O)CCC1=O 	 InChI=1S/C6H8O4/c7-4-1-2-5(8)6(3-4)10-9/h6,9H,1-3H2 	 144.1253 
 C519CO2H 	 OCCC(C(=O)C)C(=O)O 	 InChI=1S/C6H10O4/c1-4(8)5(2-3-7)6(9)10/h5,7H,2-3H2,1H3,(H,9,10) 	 146.1412 
 TBOCOCH2O2 	 [O]OCC(=O)OC(C)(C)C 	 InChI=1S/C6H11O4/c1-6(2,3)10-5(7)4-9-8/h4H2,1-3H3 	 147.1491 
 TBOCOCH2OH 	 OCC(=O)OC(C)(C)C 	 InChI=1S/C6H12O3/c1-6(2,3)9-5(8)4-7/h7H,4H2,1-3H3 	 132.1577 
 NC72OOH 	 OOC1C(=O)CC(=O)C(C)(ON(=O)=O)C1=O 	 InChI=1S/C7H7NO8/c1-7(16-8(12)13)4(10)2-3(9)5(15-14)6(7)11/h5,14H,2H2,1H3 	 233.1324 
 PTCATEC1O2 	 [O]Oc1c(CC)ccc(C)c1O 	 InChI=1S/C9H11O3/c1-3-7-5-4-6(2)8(10)9(7)12-11/h4-5,10H,3H2,1-2H3 	 167.1818 
 OXYMUCO 	 O=CC([O])C(O)C1(C)OC1(C)C=O 	 InChI=1S/C8H11O5/c1-7(4-10)8(2,13-7)6(12)5(11)3-9/h3-6,12H,1-2H3 	 187.1699 
 NDEMPLOOH 	 CCC12OOC(CC)(C2ON(=O)=O)C(O)(OO)C(=C1)C 	 InChI=1S/C11H17NO8/c1-4-9-6-7(3)11(13,18-16)10(5-2,20-19-9)8(9)17-12(14)15/h6,8,13,16H,4-5H2,1-3H3 	 291.2546 
 C622CO3H 	 OCC(CC(=O)OO)C(=C)C 	 InChI=1S/C7H12O4/c1-5(2)6(4-8)3-7(9)11-10/h6,8,10H,1,3-4H2,2H3 	 160.1678 
 BOXCOALOOH 	 CCCC(OC(=O)C=O)OO 	 InChI=1S/C6H10O5/c1-2-3-6(11-9)10-5(8)4-7/h4,6,9H,2-3H2,1H3 	 162.1406 
 HO25C7 	 CCC(O)CCC(C)O 	 InChI=1S/C7H16O2/c1-3-7(9)5-4-6(2)8/h6-9H,3-5H2,1-2H3 	 132.2007 
 HO25C6 	 CC(O)CCC(C)O 	 InChI=1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3 	 118.1742 
 DMEBIPRO 	 CCC12OOC(C)(C([O])C(=C1)C)C2O 	 InChI=1S/C10H15O4/c1-4-10-5-6(2)7(11)9(3,8(10)12)13-14-10/h5,7-8,12H,4H2,1-3H3 	 199.2237 
 C5124COO 	 [O]CC(=O)CC(=O)C=O 	 InChI=1S/C5H5O4/c6-2-4(8)1-5(9)3-7/h2H,1,3H2 	 129.0908 
 NMETOLO2 	 CCC12OOC(C)(C2ON(=O)=O)C(O)(O[O])C=C1 	 InChI=1S/C9H12NO8/c1-3-8-4-5-9(11,16-14)7(2,17-18-8)6(8)15-10(12)13/h4-6,11H,3H2,1-2H3 	 262.1935 
 HO2C54O2 	 [O]OC(C)CC(C)O 	 InChI=1S/C5H11O3/c1-4(6)3-5(2)8-7/h4-6H,3H2,1-2H3 	 119.1390 
 PROL11MOOH 	 CC(O)(COO)CC 	 InChI=1S/C5H12O3/c1-3-5(2,6)4-8-7/h6-7H,3-4H2,1-2H3 	 120.1470 
 BZOBIPEROH 	 O=C1C=CC2OOC1C2O 	 InChI=1S/C6H6O4/c7-3-1-2-4-5(8)6(3)10-9-4/h1-2,4-6,8H 	 142.1094 
 NO3CH2CO2H 	 OC(=O)CON(=O)=O 	 InChI=1S/C2H3NO5/c4-2(5)1-8-3(6)7/h1H2,(H,4,5) 	 121.0489 
 C51NO32O 	 CCCC([O])CON(=O)=O 	 InChI=1S/C5H10NO4/c1-2-3-5(7)4-10-6(8)9/h5H,2-4H2,1H3 	 148.1372 
 HOC3H6CHO 	 OCCCC=O 	 InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2 	 88.1051 
 C618CO3 	 O=CCC(=O)C(C)(C)C(=O)O[O] 	 InChI=1S/C7H9O5/c1-7(2,6(10)12-11)5(9)3-4-8/h4H,3H2,1-2H3 	 173.1434 
 NIPRBQO 	 O=N(=O)OC1C([O])C(=O)C=C(C(C)C)C1=O 	 InChI=1S/C9H10NO6/c1-4(2)5-3-6(11)8(13)9(7(5)12)16-10(14)15/h3-4,8-9H,1-2H3 	 228.1788 
 ACCOCOMEO2 	 [O]OCC(=O)C(=O)OC(=O)C 	 InChI=1S/C5H5O6/c1-3(6)11-5(8)4(7)2-10-9/h2H2,1H3 	 161.0896 
 NMEBFUO2 	 CCC1OC(=O)C(C)(O[O])C1ON(=O)=O 	 InChI=1S/C7H10NO7/c1-3-4-5(14-8(10)11)7(2,15-12)6(9)13-4/h4-5H,3H2,1-2H3 	 220.1568 
 C42CHO 	 OCC(C)C(O)C=O 	 InChI=1S/C5H10O3/c1-4(2-6)5(8)3-7/h3-6,8H,2H2,1H3 	 118.1311 
 CLCO2H 	 OC(=O)Cl 	 InChI=1S/CHClO2/c2-1(3)4/h(H,3,4) 	 80.4704 
 H2M5C65OOH 	 OOC(C)(C)CCC(C)O 	 InChI=1S/C7H16O3/c1-6(8)4-5-7(2,3)10-9/h6,8-9H,4-5H2,1-3H3 	 148.2001 
 C4M3NO32O 	 [O]CC(ON(=O)=O)C(C)C 	 InChI=1S/C5H10NO4/c1-4(2)5(3-7)10-6(8)9/h4-5H,3H2,1-2H3 	 148.1372 
 IBUTALCO2 	 [O]OC(C)(C)C=O 	 InChI=1S/C4H7O3/c1-4(2,3-5)7-6/h3H,1-2H3 	 103.0966 
 MALDIALO2 	 [O]OC(C=O)C(O)C=O 	 InChI=1S/C4H5O5/c5-1-3(7)4(2-6)9-8/h1-4,7H 	 133.0795 
 HEX3ONDNO3 	 CCC(=O)CCCON(=O)=O 	 InChI=1S/C6H11NO4/c1-2-6(8)4-3-5-11-7(9)10/h2-5H2,1H3 	 161.1558 
 M2HEXBO 	 CCCCC(C)(C)[O] 	 InChI=1S/C7H15O/c1-4-5-6-7(2,3)8/h4-6H2,1-3H3 	 115.1934 
 BOXMCO2H 	 CCCCOCC(=O)O 	 InChI=1S/C6H12O3/c1-2-3-4-9-5-6(7)8/h2-5H2,1H3,(H,7,8) 	 132.1577 
 MTBEAO 	 [O]COC(C)(C)C 	 InChI=1S/C5H11O2/c1-5(2,3)7-4-6/h4H2,1-3H3 	 103.1396 
 C1012OH 	 O=CCC(C)(C)C(O)CCC(=O)C 	 InChI=1S/C10H18O3/c1-8(12)4-5-9(13)10(2,3)6-7-11/h7,9,13H,4-6H2,1-3H3 	 186.2481 
 C69OH 	 OCC(=O)C(C)C(C)O 	 InChI=1S/C6H12O3/c1-4(5(2)8)6(9)3-7/h4-5,7-8H,3H2,1-2H3 	 132.1577 
 MXYEPOXMUC 	 O=CC1(C)OC1C=CC(=O)C 	 InChI=1S/C8H10O3/c1-6(10)3-4-7-8(2,5-9)11-7/h3-5,7H,1-2H3 	 154.1632 
 CO235C6CO3 	 [O]OC(=O)CC(=O)CC(=O)C(=O)C 	 InChI=1S/C7H7O6/c1-4(8)6(10)2-5(9)3-7(11)13-12/h2-3H2,1H3 	 187.1269 
 PHCOET 	 CCC(=O)c1ccccc1 	 InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3 	 134.1751 
 BCKBO 	 O=C1CCC([O])C(C)(O)CCC2C1CC2(C)C 	 InChI=1S/C14H23O3/c1-13(2)8-9-10(13)6-7-14(3,17)12(16)5-4-11(9)15/h9-10,12,17H,4-8H2,1-3H3 	 239.3306 
 OETOLO2 	 CCC12OOC(C2O)C(O)(O[O])C=C1C 	 InChI=1S/C9H13O6/c1-3-8-5(2)4-9(11,14-12)7(6(8)10)13-15-8/h4,6-7,10-11H,3H2,1-2H3 	 217.1959 
 NC7H16 	 CCCCCCC 	 InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3 	 100.2019 
 C145O2 	 OCCC(CO)(O[O])C(=O)CC(C)(C)C(=O)CCC(=O)C 	 InChI=1S/C14H23O7/c1-10(17)4-5-11(18)13(2,3)8-12(19)14(9-16,21-20)6-7-15/h15-16H,4-9H2,1-3H3 	 303.3282 
 CH2CLCH2OH 	 OCCCl 	 InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2 	 80.5135 
 C827O 	 CC(=O)CCC(=O)C(C)(C)[O] 	 InChI=1S/C8H13O3/c1-6(9)4-5-7(10)8(2,3)11/h4-5H2,1-3H3 	 157.1870 
 NOXYOLO 	 O=N(=O)OC1C2OOC1(C)C(=CC2([O])O)C 	 InChI=1S/C8H10NO7/c1-4-3-8(10,11)6-5(14-9(12)13)7(4,2)16-15-6/h3,5-6,10H,1-2H3 	 232.1675 
 EOX2COMEOH 	 CCOC(=O)CO 	 InChI=1S/C4H8O3/c1-2-7-4(6)3-5/h5H,2-3H2,1H3 	 104.1045 
 CH2CLCH2O2 	 [O]OCCCl 	 InChI=1S/C2H4ClO2/c3-1-2-5-4/h1-2H2 	 95.5050 
 C145OH 	 OCCC(O)(CO)C(=O)CC(C)(C)C(=O)CCC(=O)C 	 InChI=1S/C14H24O6/c1-10(17)4-5-11(18)13(2,3)8-12(19)14(20,9-16)6-7-15/h15-16,20H,4-9H2,1-3H3 	 288.3368 
 EPXMEDCO3H 	 CC1(OC1(CC)C=O)C(=O)OO 	 InChI=1S/C7H10O5/c1-3-7(4-8)6(2,12-7)5(9)11-10/h4,10H,3H2,1-2H3 	 174.1513 
 C106NO3 	 O=CCC(=O)CC(C(=O)C)C(C)(C)ON(=O)=O 	 InChI=1S/C10H15NO6/c1-7(13)9(6-8(14)4-5-12)10(2,3)17-11(15)16/h5,9H,4,6H2,1-3H3 	 245.2292 
 OETOLOH 	 CCC12OOC(C2O)C(O)(O)C=C1C 	 InChI=1S/C9H14O5/c1-3-8-5(2)4-9(11,12)7(6(8)10)13-14-8/h4,6-7,10-12H,3H2,1-2H3 	 202.2045 
 C41OH 	 OCC(O)C(O)C=O 	 InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h1,3-4,6-8H,2H2 	 120.1039 
 NPROACEBO 	 CCC([O])OC(=O)C 	 InChI=1S/C5H9O3/c1-3-5(7)8-4(2)6/h5H,3H2,1-2H3 	 117.1232 
 MBOAO2 	 OCC(O[O])C(C)(C)O 	 InChI=1S/C5H11O4/c1-5(2,7)4(3-6)9-8/h4,6-7H,3H2,1-2H3 	 135.1384 
 C732OOH 	 OOCC(CCC(=O)O)C(=O)C 	 InChI=1S/C7H12O5/c1-5(8)6(4-12-11)2-3-7(9)10/h6,11H,2-4H2,1H3,(H,9,10) 	 176.1672 
 C1012O2 	 O=CCC(C)(C)C(O[O])CCC(=O)C 	 InChI=1S/C10H17O4/c1-8(12)4-5-9(14-13)10(2,3)6-7-11/h7,9H,4-6H2,1-3H3 	 201.2396 
 C69O2 	 [O]OCC(=O)C(C)C(C)O 	 InChI=1S/C6H11O4/c1-4(5(2)7)6(8)3-10-9/h4-5,7H,3H2,1-2H3 	 147.1491 
 C615CO2O 	 O=CC([O])C=CC(=O)C 	 InChI=1S/C6H7O3/c1-5(8)2-3-6(9)4-7/h2-4,6H,1H3 	 127.1180 
 C615CO2H 	 O=CC(C(=O)O)C(C)(C)C=O 	 InChI=1S/C7H10O4/c1-7(2,4-9)5(3-8)6(10)11/h3-5H,1-2H3,(H,10,11) 	 158.1519 
 CO1C6O 	 [O]CCCCCC=O 	 InChI=1S/C6H11O2/c7-5-3-1-2-4-6-8/h5H,1-4,6H2 	 115.1503 
 C5CO234O 	 [O]CC(=O)C(=O)C(=O)C 	 InChI=1S/C5H5O4/c1-3(7)5(9)4(8)2-6/h2H2,1H3 	 129.0908 
 ECATECHOL 	 CCc1cccc(O)c1O 	 InChI=1S/C8H10O2/c1-2-6-4-3-5-7(9)8(6)10/h3-5,9-10H,2H2,1H3 	 138.1638 
 C7ADCOOH 	 O=CC(C)(O)C(C)(OO)C(=O)C 	 InChI=1S/C7H12O5/c1-5(9)7(3,12-11)6(2,10)4-8/h4,10-11H,1-3H3 	 176.1672 
 C924OOH 	 OCC(CC(OO)C(=O)C)C(=C)C 	 InChI=1S/C9H16O4/c1-6(2)8(5-10)4-9(13-12)7(3)11/h8-10,12H,1,4-5H2,2-3H3 	 188.2209 
 PRONFORMO2 	 O=COC(O[O])C(=O)C 	 InChI=1S/C4H5O5/c1-3(6)4(9-7)8-2-5/h2,4H,1H3 	 133.0795 
 IC4H9NO3 	 CC(C)CON(=O)=O 	 InChI=1S/C4H9NO3/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3 	 119.1192 
 C131O 	 [O]CCC(=O)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C13H21O3/c1-9(15)4-5-11-10(8-13(11,2)3)12(16)6-7-14/h10-11H,4-8H2,1-3H3 	 225.3040 
 C8CO3OHO 	 CCCC(=O)C([O])C(O)C(=O)C=O 	 InChI=1S/C8H11O5/c1-2-3-5(10)7(12)8(13)6(11)4-9/h4,7-8,13H,2-3H2,1H3 	 187.1699 
 NBUACCNO3 	 CCCC(OC(=O)C)ON(=O)=O 	 InChI=1S/C6H11NO5/c1-3-4-6(11-5(2)8)12-7(9)10/h6H,3-4H2,1-2H3 	 177.1552 
 PROPACID 	 CCC(=O)O 	 InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5) 	 74.0785 
 IBUTOLBO2 	 OCC(C)(C)O[O] 	 InChI=1S/C4H9O3/c1-4(2,3-5)7-6/h5H,3H2,1-2H3 	 105.1125 
 PINALO 	 O=CCC1([O])CC(C(=O)C)C1(C)C 	 InChI=1S/C10H15O3/c1-7(12)8-6-10(13,4-5-11)9(8,2)3/h5,8H,4,6H2,1-3H3 	 183.2243 
 NC1313O 	 O=CCCC([O])(CO[N+](=O)[O-])C1CC(C)(C)C1CC=O 	 InChI=1S/C13H20NO6/c1-12(2)8-11(10(12)4-7-16)13(17,5-3-6-15)9-20-14(18)19/h6-7,10-11H,3-5,8-9H2,1-2H3 	 286.3010 
 C1210NO3 	 O=CCCC(=O)C1CC(C)(C)C1CCO[N+](=O)[O-] 	 InChI=1S/C12H19NO5/c1-12(2)8-9(11(15)4-3-6-14)10(12)5-7-18-13(16)17/h6,9-10H,3-5,7-8H2,1-2H3 	 257.2830 
 C5EDBPAN 	 CCC(=CC(=O)C(=O)C)C(=O)OON(=O)=O 	 InChI=1S/C8H9NO7/c1-3-6(4-7(11)5(2)10)8(12)15-16-9(13)14/h4H,3H2,1-2H3 	 231.1596 
 DMMBOOH 	 COC(OC)OO 	 InChI=1S/C3H8O4/c1-5-3(6-2)7-4/h3-4H,1-2H3 	 108.0932 
 HO5C6CO3H 	 CCCCC(O)CC(=O)OO 	 InChI=1S/C7H14O4/c1-2-3-4-6(8)5-7(9)11-10/h6,8,10H,2-5H2,1H3 	 162.1837 
 METACETHO 	 O=COC(=O)C 	 InChI=1S/C3H4O3/c1-3(5)6-2-4/h2H,1H3 	 88.0621 
 MXYMUCCO2H 	 CC(=O)C=CC1OC1(C)C(=O)O 	 InChI=1S/C8H10O4/c1-5(9)3-4-6-8(2,12-6)7(10)11/h3-4,6H,1-2H3,(H,10,11) 	 170.1626 
 C524NO3 	 OCC(=C)C(CO)ON(=O)=O 	 InChI=1S/C5H9NO5/c1-4(2-7)5(3-8)11-6(9)10/h5,7-8H,1-3H2 	 163.1287 
 C14O3PCHO 	 CCCC(C=O)OC(=O)C=O 	 InChI=1S/C7H10O4/c1-2-3-6(4-8)11-7(10)5-9/h4-6H,2-3H2,1H3 	 158.1519 
 C67NO3 	 O=CCC(ON(=O)=O)C(C)(C)O 	 InChI=1S/C6H11NO5/c1-6(2,9)5(3-4-8)12-7(10)11/h4-5,9H,3H2,1-2H3 	 177.1552 
 PETHTOL 	 CCc1ccc(C)cc1 	 InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3 	 120.1916 
 M3PECNO3 	 CCC(C)(CC)ON(=O)=O 	 InChI=1S/C6H13NO3/c1-4-6(3,5-2)10-7(8)9/h4-5H2,1-3H3 	 147.1723 
 MC6CO2O 	 O=CC=CC(C)([O])C(=O)C 	 InChI=1S/C7H9O3/c1-6(9)7(2,10)4-3-5-8/h3-5H,1-2H3 	 141.1446 
 CO2C5OH 	 OCCCC(=O)C 	 InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h6H,2-4H2,1H3 	 102.1317 
 C7M2CO5O 	 CC(=O)C=C(C)C([O])C(=O)C 	 InChI=1S/C8H11O3/c1-5(4-6(2)9)8(11)7(3)10/h4,8H,1-3H3 	 155.1711 
 MTBEALCO2H 	 O=COC(C)(C)C(=O)O 	 InChI=1S/C5H8O4/c1-5(2,4(7)8)9-3-6/h3H,1-2H3,(H,7,8) 	 132.1146 
 C3MCOCO2H 	 O=CC(=CC(=O)O)C 	 InChI=1S/C5H6O3/c1-4(3-6)2-5(7)8/h2-3H,1H3,(H,7,8) 	 114.0993 
 C65OH4O 	 CCCC([O])C(C)O 	 InChI=1S/C6H13O2/c1-3-4-6(8)5(2)7/h5-7H,3-4H2,1-2H3 	 117.1662 
 C5CO23OOH 	 CCC(=O)C(=O)COO 	 InChI=1S/C5H8O4/c1-2-4(6)5(7)3-9-8/h8H,2-3H2,1H3 	 132.1146 
 NONO2 	 CCCCCCC(CC)O[O] 	 InChI=1S/C9H19O2/c1-3-5-6-7-8-9(4-2)11-10/h9H,3-8H2,1-2H3 	 159.2460 
 NONOH 	 CCCCCCC(O)CC 	 InChI=1S/C9H20O/c1-3-5-6-7-8-9(10)4-2/h9-10H,3-8H2,1-2H3 	 144.2545 
 C23C54CHO 	 O=CC(C)C(=O)C(=O)C 	 InChI=1S/C6H8O3/c1-4(3-7)6(9)5(2)8/h3-4H,1-2H3 	 128.1259 
 CO2M33CHO 	 O=CC(C)(C)C(=O)C 	 InChI=1S/C6H10O2/c1-5(8)6(2,3)4-7/h4H,1-3H3 	 114.1424 
 H3M3C4CO3 	 CC(O)(CC(=O)O[O])CC 	 InChI=1S/C6H11O4/c1-3-6(2,8)4-5(7)10-9/h8H,3-4H2,1-2H3 	 147.1491 
 ETBEBO2 	 [O]OC(C)OC(C)(C)C 	 InChI=1S/C6H13O3/c1-5(9-7)8-6(2,3)4/h5H,1-4H3 	 133.1656 
 TM123BPRO2 	 [O]OC1C=CC2(C)OOC1(C)C2(C)O 	 InChI=1S/C9H13O5/c1-7-5-4-6(12-11)8(2,14-13-7)9(7,3)10/h4-6,10H,1-3H3 	 201.1965 
 NBUTDBOOH 	 OOCC=CCON(=O)=O 	 InChI=1S/C4H7NO5/c6-5(7)9-3-1-2-4-10-8/h1-2,8H,3-4H2 	 149.1021 
 C92O2 	 CC(O[O])C(=O)CC(O)CCCC 	 InChI=1S/C9H17O4/c1-3-4-5-8(10)6-9(11)7(2)13-12/h7-8,10H,3-6H2,1-2H3 	 189.2289 
 C822CO2H 	 O=CCC(CCC(=O)O)C(=C)C 	 InChI=1S/C9H14O3/c1-7(2)8(5-6-10)3-4-9(11)12/h6,8H,1,3-5H2,2H3,(H,11,12) 	 170.2057 
 C924CO 	 OCC(CC(=O)C(=O)C)C(=C)C 	 InChI=1S/C9H14O3/c1-6(2)8(5-10)4-9(12)7(3)11/h8,10H,1,4-5H2,2-3H3 	 170.2057 
 C619O 	 O=C1CCC(=O)C([O])C1 	 InChI=1S/C6H7O3/c7-4-1-2-5(8)6(9)3-4/h6H,1-3H2 	 127.1180 
 OXYMUCO2 	 [O]OC(C=O)C(O)C1(C)OC1(C)C=O 	 InChI=1S/C8H11O6/c1-7(4-10)8(2,14-7)6(11)5(3-9)13-12/h3-6,11H,1-2H3 	 203.1693 
 C716O2 	 O=CCC(=O)CC(O[O])C(=O)C 	 InChI=1S/C7H9O5/c1-5(9)7(12-11)4-6(10)2-3-8/h3,7H,2,4H2,1H3 	 173.1434 
 BUOHFORM 	 CCCC(O)OC=O 	 InChI=1S/C5H10O3/c1-2-3-5(7)8-4-6/h4-5,7H,2-3H2,1H3 	 118.1311 
 TM135MUPAN 	 O=N(=O)OOC(=O)C1(C)OC1C(=CC(=O)C)C 	 InChI=1S/C9H11NO7/c1-5(4-6(2)11)7-9(3,15-7)8(12)16-17-10(13)14/h4,7H,1-3H3 	 245.1861 
 INCOH 	 OCC(O)C(C)(O)CON(=O)=O 	 InChI=1S/C5H11NO6/c1-5(9,4(8)2-7)3-12-6(10)11/h4,7-9H,2-3H2,1H3 	 181.1439 
 PRCOOPROL 	 CCCC(=O)OCC(C)O 	 InChI=1S/C7H14O3/c1-3-4-7(9)10-5-6(2)8/h6,8H,3-5H2,1-2H3 	 146.1843 
 INCO2 	 OCC(O[O])C(C)(O)CON(=O)=O 	 InChI=1S/C5H10NO7/c1-5(8,3-12-6(9)10)4(2-7)13-11/h4,7-8H,2-3H2,1H3 	 196.1354 
 NOXYQOOH 	 OOC1C(ON(=O)=O)C(=O)C(=C(C)C1=O)C 	 InChI=1S/C8H9NO7/c1-3-4(2)6(11)8(16-14)7(5(3)10)15-9(12)13/h7-8,14H,1-2H3 	 231.1596 
 C716OH 	 O=CCC(=O)CC(O)C(=O)C 	 InChI=1S/C7H10O4/c1-5(9)7(11)4-6(10)2-3-8/h3,7,11H,2,4H2,1H3 	 158.1519 
 TM124O 	 Cc1ccc(C)c(C)c1[O] 	 InChI=1S/C9H11O/c1-6-4-5-7(2)9(10)8(6)3/h4-5H,1-3H3 	 135.1830 
 C4MCO2OOH 	 OOC(C)(C=O)C(=O)C 	 InChI=1S/C5H8O4/c1-4(7)5(2,3-6)9-8/h3,8H,1-2H3 	 132.1146 
 OXYMUCOH 	 O=CC(O)C(O)C1(C)OC1(C)C=O 	 InChI=1S/C8H12O5/c1-7(4-10)8(2,13-7)6(12)5(11)3-9/h3-6,11-12H,1-2H3 	 188.1779 
 C626O 	 O=CCC(C[O])C(=O)C 	 InChI=1S/C6H9O3/c1-5(9)6(4-8)2-3-7/h3,6H,2,4H2,1H3 	 129.1339 
 TM124B 	 Cc1ccc(C)c(C)c1 	 InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3 	 120.1916 
 C121O2 	 CCCCCCCC(O[O])CC(=O)CC 	 InChI=1S/C12H23O3/c1-3-5-6-7-8-9-12(15-14)10-11(13)4-2/h12H,3-10H2,1-2H3 	 215.3092 
 METLQONE 	 CCC1=CC(=O)C=C(C)C1=O 	 InChI=1S/C9H10O2/c1-3-7-5-8(10)4-6(2)9(7)11/h4-5H,3H2,1-2H3 	 150.1745 
 MXYOLO 	 OC1C2(C)C=CC([O])(O)C1(C)OO2 	 InChI=1S/C8H11O5/c1-6-3-4-8(10,11)7(2,5(6)9)13-12-6/h3-5,9-10H,1-2H3 	 187.1699 
 OXYL1OOH 	 OOc1ccccc1C 	 InChI=1S/C7H8O2/c1-6-4-2-3-5-7(6)9-8/h2-5,8H,1H3 	 124.1372 
 TM124MUCO 	 O=CC1(C)OC1(C)C([O])C(O)C(=O)C 	 InChI=1S/C9H13O5/c1-5(11)6(12)7(13)9(3)8(2,4-10)14-9/h4,6-7,12H,1-3H3 	 201.1965 
 H3M3C6OOH 	 OOCCCC(C)(O)CC 	 InChI=1S/C7H16O3/c1-3-7(2,8)5-4-6-10-9/h8-9H,3-6H2,1-2H3 	 148.2001 
 C619CO 	 O=C1CCC(=O)C(=O)C1 	 InChI=1S/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3H2 	 126.1100 
 TMBOOH 	 OOCc1cc(C)cc(C)c1 	 InChI=1S/C9H12O2/c1-7-3-8(2)5-9(4-7)6-11-10/h3-5,10H,6H2,1-2H3 	 152.1904 
 HO3C126OOH 	 CCCCCCC(OO)CCC(O)CC 	 InChI=1S/C12H26O3/c1-3-5-6-7-8-12(15-14)10-9-11(13)4-2/h11-14H,3-10H2,1-2H3 	 218.3330 
 BCKBNO3 	 [O-][N+](=O)OC1CCC(=O)C2CC(C)(C)C2CCC1(C)O 	 InChI=1S/C14H23NO5/c1-13(2)8-9-10(13)6-7-14(3,17)12(20-15(18)19)5-4-11(9)16/h9-10,12,17H,4-8H2,1-3H3 	 285.3361 
 C4NO32MOOH 	 CCC(C)(OO)CON(=O)=O 	 InChI=1S/C5H11NO5/c1-3-5(2,11-9)4-10-6(7)8/h9H,3-4H2,1-2H3 	 165.1445 
 BPINANO3 	 OCC1(CCC2CC1C2(C)C)ON(=O)=O 	 InChI=1S/C10H17NO4/c1-9(2)7-3-4-10(6-12,8(9)5-7)15-11(13)14/h7-8,12H,3-6H2,1-2H3 	 215.2463 
 C626CO2H 	 O=CCC(CC(=O)O)C(=O)C 	 InChI=1S/C7H10O4/c1-5(9)6(2-3-8)4-7(10)11/h3,6H,2,4H2,1H3,(H,10,11) 	 158.1519 
 EGLYOOB 	 [O-][O+]=CC(=O)CC 	 InChI=1S/C4H6O3/c1-2-4(5)3-7-6/h3H,2H2,1H3 	 102.0886 
 BUTDCOOH 	 OC(COO)C=C 	 InChI=1S/C4H8O3/c1-2-4(5)3-7-6/h2,4-6H,1,3H2 	 104.1045 
 T124NCATO 	 OC1=C(C)C2(OOC(C)(C1([O])O)C2(C)O)N(=O)=O 	 InChI=1S/C9H12NO8/c1-4-5(11)9(13,14)7(3)6(2,12)8(4,10(15)16)18-17-7/h11-13H,1-3H3 	 262.1935 
 M22C43OH 	 CC(O)C(C)(C)C 	 InChI=1S/C6H14O/c1-5(7)6(2,3)4/h5,7H,1-4H3 	 102.1748 
 M22C43O2 	 [O]OC(C)C(C)(C)C 	 InChI=1S/C6H13O2/c1-5(8-7)6(2,3)4/h5H,1-4H3 	 117.1662 
 NC3H7OOH 	 CCCOO 	 InChI=1S/C3H8O2/c1-2-3-5-4/h4H,2-3H2,1H3 	 76.0944 
 BCALAO 	 O=CCCC(=C)C1CC(C)(C)C1CC([O])C(=O)C 	 InChI=1S/C15H23O3/c1-10(6-5-7-16)12-9-15(3,4)13(12)8-14(18)11(2)17/h7,12-14H,1,5-6,8-9H2,2-4H3 	 251.3413 
 M2BKAO 	 CC([O])C(C)C(=O)C 	 InChI=1S/C6H11O2/c1-4(5(2)7)6(3)8/h4-5H,1-3H3 	 115.1503 
 DETLMUNO3 	 CCC(=O)C(O)C(C)(ON(=O)=O)C1OC1(CC)C=O 	 InChI=1S/C11H17NO7/c1-4-7(14)8(15)10(3,19-12(16)17)9-11(5-2,6-13)18-9/h6,8-9,15H,4-5H2,1-3H3 	 275.2552 
 ACROO 	 [O-][O+]=CC=C 	 InChI=1S/C3H4O2/c1-2-3-5-4/h2-3H,1H2 	 72.0627 
 DNOETOL 	 CCc1c(C)c(cc(N(=O)=O)c1O)N(=O)=O 	 InChI=1S/C9H10N2O5/c1-3-6-5(2)7(10(13)14)4-8(9(6)12)11(15)16/h4,12H,3H2,1-2H3 	 226.1861 
 PINALNO3 	 O=CCC1(ON(=O)=O)CC(C(=O)C)C1(C)C 	 InChI=1S/C10H15NO5/c1-7(13)8-6-10(4-5-12,9(8,2)3)16-11(14)15/h5,8H,4,6H2,1-3H3 	 229.2298 
 PE2ENEBNO3 	 CCC(O)C(C)ON(=O)=O 	 InChI=1S/C5H11NO4/c1-3-5(7)4(2)10-6(8)9/h4-5,7H,3H2,1-2H3 	 149.1451 
 DIEKAOOH 	 CC(OO)C(=O)CC 	 InChI=1S/C5H10O3/c1-3-5(6)4(2)8-7/h4,7H,3H2,1-2H3 	 118.1311 
 C3M3OHCO3H 	 OOC(=O)C(O)C(C)C 	 InChI=1S/C5H10O4/c1-3(2)4(6)5(7)9-8/h3-4,6,8H,1-2H3 	 134.1305 
 C136CO3H 	 O=CCCC(=C)C1CC(C)(C)C1CCC(=O)OO 	 InChI=1S/C14H22O4/c1-10(5-4-8-15)11-9-14(2,3)12(11)6-7-13(16)18-17/h8,11-12,17H,1,4-7,9H2,2-3H3 	 254.3221 
 C7CO2DBPAN 	 O=CC(=O)C=C(CC)C(=O)OON(=O)=O 	 InChI=1S/C7H7NO7/c1-2-5(3-6(10)4-9)7(11)14-15-8(12)13/h3-4H,2H2,1H3 	 217.1330 
 IEB1O 	 OCC(O)C(C)([O])C=O 	 InChI=1S/C5H9O4/c1-5(9,3-7)4(8)2-6/h3-4,6,8H,2H2,1H3 	 133.1226 
 ETOMEOH 	 CCOCO 	 InChI=1S/C3H8O2/c1-2-5-3-4/h4H,2-3H2,1H3 	 76.0944 
 CO1M22PAN 	 O=CC(C)(C)C(=O)OON(=O)=O 	 InChI=1S/C5H7NO6/c1-5(2,3-7)4(8)11-12-6(9)10/h3H,1-2H3 	 177.1122 
 PETLQOOH 	 CCC1(OO)C(=O)C=C(C)C(=O)C1O 	 InChI=1S/C9H12O5/c1-3-9(14-13)6(10)4-5(2)7(11)8(9)12/h4,8,12-13H,3H2,1-2H3 	 200.1886 
 C42CHO2O 	 CC([O])(CC)C=O 	 InChI=1S/C5H9O2/c1-3-5(2,7)4-6/h4H,3H2,1-2H3 	 101.1238 
 TLEMUCO 	 O=CC1OC1C(O)C([O])C(=O)C 	 InChI=1S/C7H9O5/c1-3(9)5(10)6(11)7-4(2-8)12-7/h2,4-7,11H,1H3 	 173.1434 
 PRCOOMO2 	 CCCC(=O)OCO[O] 	 InChI=1S/C5H9O4/c1-2-3-5(6)8-4-9-7/h2-4H2,1H3 	 133.1226 
 C511CO3 	 O=CCC(C(=O)C)C(=O)O[O] 	 InChI=1S/C6H7O5/c1-4(8)5(2-3-7)6(9)11-10/h3,5H,2H2,1H3 	 159.1168 
 T123CAT1O2 	 [O]Oc1c(O)cc(C)c(C)c1C 	 InChI=1S/C9H11O3/c1-5-4-8(10)9(12-11)7(3)6(5)2/h4,10H,1-3H3 	 167.1818 
 METHCOACET 	 CC(=O)OC(=O)C 	 InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3 	 102.0886 
 PXYLNO3 	 Cc1ccc(CON(=O)=O)cc1 	 InChI=1S/C8H9NO3/c1-7-2-4-8(5-3-7)6-12-9(10)11/h2-5H,6H2,1H3 	 167.1620 
 CL12PRAOOH 	 OOCC(Cl)CCl 	 InChI=1S/C3H6Cl2O2/c4-1-3(5)2-7-6/h3,6H,1-2H2 	 144.9845 
 KLIMONIC 	 OC(=O)CCC(CC(=O)O)C(=O)C 	 InChI=1S/C8H12O5/c1-5(9)6(4-8(12)13)2-3-7(10)11/h6H,2-4H2,1H3,(H,10,11)(H,12,13) 	 188.1779 
 TLEMUCCO3 	 CC(=O)C=CC1OC1C(=O)O[O] 	 InChI=1S/C7H7O5/c1-4(8)2-3-5-6(11-5)7(9)12-10/h2-3,5-6H,1H3 	 171.1275 
 MC6CO2OOH 	 O=CC=CC(C)(OO)C(=O)C 	 InChI=1S/C7H10O4/c1-6(9)7(2,11-10)4-3-5-8/h3-5,10H,1-2H3 	 158.1519 
 C107O 	 O=CCC1CC([O])(C(=O)C)C1(C)C 	 InChI=1S/C10H15O3/c1-7(12)10(13)6-8(4-5-11)9(10,2)3/h5,8H,4,6H2,1-3H3 	 183.2243 
 MALDIALO 	 O=CC(O)C([O])C=O 	 InChI=1S/C4H5O4/c5-1-3(7)4(8)2-6/h1-4,7H 	 117.0801 
 C830OOH 	 O=CCC1C(OO)CC1(C)C 	 InChI=1S/C8H14O3/c1-8(2)5-7(11-10)6(8)3-4-9/h4,6-7,10H,3,5H2,1-2H3 	 158.1950 
 NT124L1O2 	 [O]Oc1c(C)cc(N(=O)=O)c(C)c1C 	 InChI=1S/C9H10NO4/c1-5-4-8(10(11)12)6(2)7(3)9(5)14-13/h4H,1-3H3 	 196.1800 
 DNT124LO 	 O=N(=O)C1=C(C)C2(OOC(C)(C1([O])O)C2(C)O)N(=O)=O 	 InChI=1S/C9H11N2O9/c1-4-5(10(15)16)9(13,14)7(3)6(2,12)8(4,11(17)18)20-19-7/h12-13H,1-3H3 	 291.1916 
 C143OOH 	 OCCC(=C)C(=O)CC(C)(C)C(OO)CCC(=O)C 	 InChI=1S/C14H24O5/c1-10(7-8-15)12(17)9-14(3,4)13(19-18)6-5-11(2)16/h13,15,18H,1,5-9H2,2-4H3 	 272.3374 
 M2BUOL2OOH 	 CCC(C)(CO)OO 	 InChI=1S/C5H12O3/c1-3-5(2,4-6)8-7/h6-7H,3-4H2,1-2H3 	 120.1470 
 DNPETOLO2 	 CCC12OOC(N(=O)=O)(C(=C(N(=O)=O)C2(O)O[O])C)C1O 	 InChI=1S/C9H11N2O10/c1-3-7-6(12)8(11(16)17,21-20-7)4(2)5(10(14)15)9(7,13)19-18/h6,12-13H,3H2,1-2H3 	 307.1910 
 MXYMUCO2 	 [O]OC(C(=O)C)C(O)C1OC1(C)C=O 	 InChI=1S/C8H11O6/c1-4(10)6(14-12)5(11)7-8(2,3-9)13-7/h3,5-7,11H,1-2H3 	 203.1693 
 HO2C54CO2H 	 CC(O)CC(C)C(=O)O 	 InChI=1S/C6H12O3/c1-4(6(8)9)3-5(2)7/h4-5,7H,3H2,1-2H3,(H,8,9) 	 132.1577 
 C58NO3CO2H 	 OCC(C)(ON(=O)=O)C(O)C(=O)O 	 InChI=1S/C5H9NO7/c1-5(2-7,13-6(11)12)3(8)4(9)10/h3,7-8H,2H2,1H3,(H,9,10) 	 195.1275 
 MXYMUCOH 	 O=CC1(C)OC1C(O)C(O)C(=O)C 	 InChI=1S/C8H12O5/c1-4(10)5(11)6(12)7-8(2,3-9)13-7/h3,5-7,11-12H,1-2H3 	 188.1779 
 C7DCCO2 	 CCCC(=O)C=CC(=O)[O] 	 InChI=1S/C7H9O3/c1-2-3-6(8)4-5-7(9)10/h4-5H,2-3H2,1H3 	 141.1446 
 C7DCCO3 	 CCCC(=O)C=CC(=O)O[O] 	 InChI=1S/C7H9O4/c1-2-3-6(8)4-5-7(9)11-10/h4-5H,2-3H2,1H3 	 157.1440 
 C116CO 	 O=CCC(=O)C1CC(C)(C)C1CC=O 	 InChI=1S/C11H16O3/c1-11(2)7-8(9(11)3-5-12)10(14)4-6-13/h5-6,8-9H,3-4,7H2,1-2H3 	 196.2429 
 C821O2 	 [O]OC(CC(=O)C)C(=O)C(=O)C 	 InChI=1S/C7H9O5/c1-4(8)3-6(12-11)7(10)5(2)9/h6H,3H2,1-2H3 	 173.1434 
 C6H5O 	 [O]c1ccccc1 	 InChI=1S/C6H5O/c7-6-4-2-1-3-5-6/h1-5H 	 93.1033 
 C512OOH 	 OOCCC(=O)CC=O 	 InChI=1S/C5H8O4/c6-3-1-5(7)2-4-9-8/h3,8H,1-2,4H2 	 132.1146 
 HCOC5 	 CC(=C)C(=O)CO 	 InChI=1S/C5H8O2/c1-4(2)5(7)3-6/h6H,1,3H2,2H3 	 100.1158 
 C113NO3 	 CCCCCC(O)C(CC(=O)CC)ON(=O)=O 	 InChI=1S/C11H21NO5/c1-3-5-6-7-10(14)11(17-12(15)16)8-9(13)4-2/h10-11,14H,3-8H2,1-2H3 	 247.2881 
 MBKCOOHOOH 	 CC(O)(COO)C(=O)C(=O)C 	 InChI=1S/C6H10O5/c1-4(7)5(8)6(2,9)3-11-10/h9-10H,3H2,1-2H3 	 162.1406 
 PHIC3OOH 	 OOC(C)(C)c1ccccc1 	 InChI=1S/C9H12O2/c1-9(2,11-10)8-6-4-3-5-7-8/h3-7,10H,1-2H3 	 152.1904 
 C7EDCO2 	 [O]OC(C(=O)C)C(O)C(=O)CC 	 InChI=1S/C7H11O5/c1-3-5(9)6(10)7(12-11)4(2)8/h6-7,10H,3H2,1-2H3 	 175.1592 
 EPXMKTCO2H 	 CC(=O)C1OC1(C)C(=O)O 	 InChI=1S/C6H8O4/c1-3(7)4-6(2,10-4)5(8)9/h4H,1-2H3,(H,8,9) 	 144.1253 
 PBFUO2 	 CCCC1OC(=O)C(O[O])C1O 	 InChI=1S/C7H11O5/c1-2-3-4-5(8)6(12-10)7(9)11-4/h4-6,8H,2-3H2,1H3 	 175.1592 
 BCKBO2 	 [O]OC1CCC(=O)C2CC(C)(C)C2CCC1(C)O 	 InChI=1S/C14H23O4/c1-13(2)8-9-10(13)6-7-14(3,16)12(18-17)5-4-11(9)15/h9-10,12,16H,4-8H2,1-3H3 	 255.3300 
 C4MOHOCO3 	 [O]OC(=O)C(O)C(=O)C(C)C 	 InChI=1S/C6H9O5/c1-3(2)4(7)5(8)6(9)11-10/h3,5,8H,1-2H3 	 161.1327 
 TLFUO2 	 [O]OC1C(=O)OC(C)C1O 	 InChI=1S/C5H7O5/c1-2-3(6)4(10-8)5(7)9-2/h2-4,6H,1H3 	 147.1061 
 C139OH 	 OCCC(=C)C1(O)CC(C)(C)C1CCC(=O)O 	 InChI=1S/C13H22O4/c1-9(6-7-14)13(17)8-12(2,3)10(13)4-5-11(15)16/h10,14,17H,1,4-8H2,2-3H3,(H,15,16) 	 242.3114 
 H2MC5NO3 	 O=N(=O)OCCC(C)C(C)O 	 InChI=1S/C6H13NO4/c1-5(6(2)8)3-4-11-7(9)10/h5-6,8H,3-4H2,1-2H3 	 163.1717 
 IPEANO3 	 CCC(C)CON(=O)=O 	 InChI=1S/C5H11NO3/c1-3-5(2)4-9-6(7)8/h5H,3-4H2,1-2H3 	 133.1457 
 OCCOHCOH 	 OC(CO)C=O 	 InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2 	 90.0779 
 NDNIPBZLO2 	 [O]OC1(O)C(=CC2(OOC1(C(C)C)C2ON(=O)=O)N(=O)=O)N(=O)=O 	 InChI=1S/C9H10N3O12/c1-4(2)8-6(21-12(18)19)7(11(16)17,23-24-8)3-5(10(14)15)9(8,13)22-20/h3-4,6,13H,1-2H3 	 352.1886 
 NDNMXYOLO2 	 [O]OC1(O)C(=C(N(=O)=O)C2(OOC1(C)C2ON(=O)=O)N(=O)=O)C 	 InChI=1S/C8H8N3O12/c1-3-4(9(13)14)7(10(15)16)5(20-11(17)18)6(2,22-23-7)8(3,12)21-19/h5,12H,1-2H3 	 338.1620 
 OCCOHCO2 	 OC(CO[O])C=O 	 InChI=1S/C3H5O4/c4-1-3(5)2-7-6/h1,3,5H,2H2 	 105.0694 
 C59O2 	 OCC(=O)C(C)(CO)O[O] 	 InChI=1S/C5H9O5/c1-5(3-7,10-9)4(8)2-6/h6-7H,2-3H2,1H3 	 149.1220 
 TLFUOH 	 CC1OC(=O)C(O)C1O 	 InChI=1S/C5H8O4/c1-2-3(6)4(7)5(8)9-2/h2-4,6-7H,1H3 	 132.1146 
 C139O2 	 OCCC(=C)C1(O[O])CC(C)(C)C1CCC(=O)O 	 InChI=1S/C13H21O5/c1-9(6-7-14)13(18-17)8-12(2,3)10(13)4-5-11(15)16/h10,14H,1,4-8H2,2-3H3,(H,15,16) 	 257.3028 
 C112O2 	 CCCCCCC(O)CC(=O)C(C)O[O] 	 InChI=1S/C11H21O4/c1-3-4-5-6-7-10(12)8-11(13)9(2)15-14/h9-10,12H,3-8H2,1-2H3 	 217.2820 
 NMXYFUO2 	 [O]OC1(C)C(=O)OC(C)C1ON(=O)=O 	 InChI=1S/C6H8NO7/c1-3-4(13-7(9)10)6(2,14-11)5(8)12-3/h3-4H,1-2H3 	 206.1302 
 MTBEACHOO 	 O=COC(C)(C)C[O] 	 InChI=1S/C5H9O3/c1-5(2,3-6)8-4-7/h4H,3H2,1-2H3 	 117.1232 
 CHCL2PAN 	 O=N(=O)OOC(=O)C(Cl)Cl 	 InChI=1S/C2HCl2NO5/c3-1(4)2(6)9-10-5(7)8/h1H 	 189.9390 
 C23O3MCO3H 	 OOC(=O)C(C)OC(=O)C(=O)C 	 InChI=1S/C6H8O6/c1-3(7)5(8)11-4(2)6(9)12-10/h4,10H,1-2H3 	 176.1241 
 BCKBOO 	 [O-][O+]=CCCC(=O)C1CC(C)(C)C1CCC(=O)C	 	 InChI=1S/C14H22O4/c1-10(15)6-7-12-11(9-14(12,2)3)13(16)5-4-8-18-17/h8,11-12H,4-7,9H2,1-3H3 	 254.3221 
 C7EDCOH 	 CCC(=O)C(O)C(O)C(=O)C 	 InChI=1S/C7H12O4/c1-3-5(9)7(11)6(10)4(2)8/h6-7,10-11H,3H2,1-2H3 	 160.1678 
 HPNC524CO 	 OCC(ON(=O)=O)C(CO)(OO)C=O 	 InChI=1S/C5H9NO8/c7-1-4(13-6(10)11)5(2-8,3-9)14-12/h2,4,7,9,12H,1,3H2 	 211.1269 
 PBFUOH 	 CCCC1OC(=O)C(O)C1O 	 InChI=1S/C7H12O4/c1-2-3-4-5(8)6(9)7(10)11-4/h4-6,8-9H,2-3H2,1H3 	 160.1678 
 ACCOMECHO 	 O=CCC(=O)OC(=O)C 	 InChI=1S/C5H6O4/c1-4(7)9-5(8)2-3-6/h3H,2H2,1H3 	 130.0987 
 COO2C3CO3 	 COC(=O)CC(=O)O[O] 	 InChI=1S/C4H5O5/c1-8-3(5)2-4(6)9-7/h2H2,1H3 	 133.0795 
 OXYLO 	 [O]Cc1ccccc1C 	 InChI=1S/C8H9O/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3 	 121.1565 
 HMVKBO2 	 OCC(O[O])C(=O)C 	 InChI=1S/C4H7O4/c1-3(6)4(2-5)8-7/h4-5H,2H2,1H3 	 119.0960 
 IPRACBCO2H 	 CC(=O)OC(C)C(=O)O 	 InChI=1S/C5H8O4/c1-3(5(7)8)9-4(2)6/h3H,1-2H3,(H,7,8) 	 132.1146 
 BIACET 	 CC(=O)C(=O)C 	 InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3 	 86.0892 
 DMEBMUPAN 	 CCC(=O)C=C(C)C1OC1(C)C(=O)OON(=O)=O 	 InChI=1S/C10H13NO7/c1-4-7(12)5-6(2)8-10(3,16-8)9(13)17-18-11(14)15/h5,8H,4H2,1-3H3 	 259.2127 
 APINAO2 	 [O]OC1(C)C(O)CC2CC1C2(C)C 	 InChI=1S/C10H17O3/c1-9(2)6-4-7(9)10(3,13-12)8(11)5-6/h6-8,11H,4-5H2,1-3H3 	 185.2402 
 HCOCO3H 	 OOC(=O)C=O 	 InChI=1S/C2H2O4/c3-1-2(4)6-5/h1,5H 	 90.0349 
 NOXYOLOOH 	 OOC1(O)C=C(C)C2(C)OOC1C2ON(=O)=O 	 InChI=1S/C8H11NO8/c1-4-3-8(10,16-13)6-5(14-9(11)12)7(4,2)17-15-6/h3,5-6,10,13H,1-2H3 	 249.1748 
 OXYBPEROOH 	 OOC1(C)C=CC2OOC1(C)C2O 	 InChI=1S/C8H12O5/c1-7(12-10)4-3-5-6(9)8(7,2)13-11-5/h3-6,9-10H,1-2H3 	 188.1779 
 C3ME3CHOO2 	 O=CCC(C)(C)O[O] 	 InChI=1S/C5H9O3/c1-5(2,8-7)3-4-6/h4H,3H2,1-2H3 	 117.1232 
 C7MOCOCO3H 	 OOC(=O)C(=C(C)C(=O)C(O)C(=O)C)C 	 InChI=1S/C9H12O6/c1-4(5(2)9(13)15-14)7(11)8(12)6(3)10/h8,12,14H,1-3H3 	 216.1880 
 DETLBIPRO 	 CCC1=CC2(CC)OOC(C)(C1[O])C2O 	 InChI=1S/C11H17O4/c1-4-7-6-11(5-2)9(13)10(3,8(7)12)14-15-11/h6,8-9,13H,4-5H2,1-3H3 	 213.2503 
 C64O 	 CC([O])(CC(=O)C)CO 	 InChI=1S/C6H11O3/c1-5(8)3-6(2,9)4-7/h7H,3-4H2,1-2H3 	 131.1497 
 M33C3CHO 	 CCC(C)(C)C=O 	 InChI=1S/C6H12O/c1-4-6(2,3)5-7/h5H,4H2,1-3H3 	 100.1589 
 NOETOL1O2 	 CCc1c(C)ccc(N(=O)=O)c1O[O] 	 InChI=1S/C9H10NO4/c1-3-7-6(2)4-5-8(10(11)12)9(7)14-13/h4-5H,3H2,1-2H3 	 196.1800 
 PRONOCOMO2 	 [O]OCC(=O)OCC(=O)C 	 InChI=1S/C5H7O5/c1-4(6)2-9-5(7)3-10-8/h2-3H2,1H3 	 147.1061 
 LIMONONIC 	 CC(=O)CCC(CC(=O)O)C(=C)C 	 InChI=1S/C10H16O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h9H,1,4-6H2,2-3H3,(H,12,13) 	 184.2322 
 C65NO36OOH 	 CCCCC(COO)ON(=O)=O 	 InChI=1S/C6H13NO5/c1-2-3-4-6(5-11-10)12-7(8)9/h6,10H,2-5H2,1H3 	 179.1711 
 NBPINBO 	 [O]CC1(CCC2CC1C2(C)C)ON(=O)=O 	 InChI=1S/C10H16NO4/c1-9(2)7-3-4-10(6-12,8(9)5-7)15-11(13)14/h7-8H,3-6H2,1-2H3 	 214.2383 
 NC91CO3H 	 OOC(=O)C1(CCC2CC1C2(C)C)ON(=O)=O 	 InChI=1S/C10H15NO6/c1-9(2)6-3-4-10(7(9)5-6,8(12)16-15)17-11(13)14/h6-7,15H,3-5H2,1-2H3 	 245.2292 
 C4MOHOCO3H 	 OOC(=O)C(O)C(=O)C(C)C 	 InChI=1S/C6H10O5/c1-3(2)4(7)5(8)6(9)11-10/h3,5,8,10H,1-2H3 	 162.1406 
 ENCATECOOH 	 OOC1(O)C(=C(N(=O)=O)C2OOC1(CC)C2O)O 	 InChI=1S/C8H11NO9/c1-2-7-6(11)4(16-18-7)3(9(13)14)5(10)8(7,12)17-15/h4,6,10-12,15H,2H2,1H3 	 265.1742 
 EOX2EOLBO 	 OCCOC(C)[O] 	 InChI=1S/C4H9O3/c1-4(6)7-3-2-5/h4-5H,2-3H2,1H3 	 105.1125 
 C5CO34CO3 	 [O]OC(=O)CC(=O)C(=O)CC 	 InChI=1S/C6H7O5/c1-2-4(7)5(8)3-6(9)11-10/h2-3H2,1H3 	 159.1168 
 PBZQCO 	 O=C1C=CC(=O)C(O)C1=O 	 InChI=1S/C6H4O4/c7-3-1-2-4(8)6(10)5(3)9/h1-2,5,9H 	 140.0936 
 C86O 	 O=CCC(C(=O)C)C(C)(C)[O] 	 InChI=1S/C8H13O3/c1-6(10)7(4-5-9)8(2,3)11/h5,7H,4H2,1-3H3 	 157.1870 
 PRCOOPRONE 	 CCCC(=O)OCC(=O)C 	 InChI=1S/C7H12O3/c1-3-4-7(9)10-5-6(2)8/h3-5H2,1-2H3 	 144.1684 
 NONO 	 CCCCCCC([O])CC 	 InChI=1S/C9H19O/c1-3-5-6-7-8-9(10)4-2/h9H,3-8H2,1-2H3 	 143.2466 
 CH3SCH2OOH 	 CSCOO 	 InChI=1S/C2H6O2S/c1-5-2-4-3/h3H,2H2,1H3 	 94.1328 
 H2MC5O 	 [O]CCC(C)C(C)O 	 InChI=1S/C6H13O2/c1-5(3-4-7)6(2)8/h5-6,8H,3-4H2,1-2H3 	 117.1662 
 CH2CLO 	 [O]CCl 	 InChI=1S/CH2ClO/c2-1-3/h1H2 	 65.4790 
 CO3C85O 	 CCCC([O])CC(=O)CC 	 InChI=1S/C8H15O2/c1-3-5-8(10)6-7(9)4-2/h8H,3-6H2,1-2H3 	 143.2035 
 CH2CL2 	 ClCCl 	 InChI=1S/CH2Cl2/c2-1-3/h1H2 	 84.9326 
 PHENO 	 OC1C2OOC1C([O])(O)C=C2 	 InChI=1S/C6H7O5/c7-4-3-1-2-6(8,9)5(4)11-10-3/h1-5,7-8H 	 159.1168 
 IPRACBNO3 	 CC(=O)OC(C)CON(=O)=O 	 InChI=1S/C5H9NO5/c1-4(11-5(2)7)3-10-6(8)9/h4H,3H2,1-2H3 	 163.1287 
 C2H6 	 CC 	 InChI=1S/C2H6/c1-2/h1-2H3 	 30.0690 
 C2H4 	 C=C 	 InChI=1S/C2H4/c1-2/h1-2H2 	 28.0532 
 C2H2 	 C#C 	 InChI=1S/C2H2/c1-2/h1-2H 	 26.0373 
 C6CO2M2OH 	 O=CC(C)(O)C(O)C(=O)C 	 InChI=1S/C6H10O4/c1-4(8)5(9)6(2,10)3-7/h3,5,9-10H,1-2H3 	 146.1412 
 CO13C4OH 	 OCC(=O)CC=O 	 InChI=1S/C4H6O3/c5-2-1-4(7)3-6/h2,6H,1,3H2 	 102.0886 
 HM33C3O 	 OCCC(C)(C)[O] 	 InChI=1S/C5H11O2/c1-5(2,7)3-4-6/h6H,3-4H2,1-2H3 	 103.1396 
 MPRBNO3CO3 	 [O]OC(=O)C(C)(C)ON(=O)=O 	 InChI=1S/C4H6NO6/c1-4(2,3(6)10-9)11-5(7)8/h1-2H3 	 164.0935 
 C626CHO 	 O=CCC(CC=O)C(=O)C 	 InChI=1S/C7H10O3/c1-6(10)7(2-4-8)3-5-9/h4-5,7H,2-3H2,1H3 	 142.1525 
 OXYMUCPAN 	 O=CC=CC1(C)OC1(C)C(=O)OON(=O)=O 	 InChI=1S/C8H9NO7/c1-7(4-3-5-10)8(2,15-7)6(11)14-16-9(12)13/h3-5H,1-2H3 	 231.1596 
 C728OH 	 O=CCC(CO)C(C)(O)CO 	 InChI=1S/C7H14O4/c1-7(11,5-10)6(4-9)2-3-8/h3,6,9-11H,2,4-5H2,1H3 	 162.1837 
 C712OOH 	 OOC(C)(CC(=O)C)C(C)O 	 InChI=1S/C7H14O4/c1-5(8)4-7(3,11-10)6(2)9/h6,9-10H,4H2,1-3H3 	 162.1837 
 INANCO 	 OCC(C)(ON(=O)=O)C(=O)CON(=O)=O 	 InChI=1S/C5H8N2O8/c1-5(3-8,15-7(12)13)4(9)2-14-6(10)11/h8H,2-3H2,1H3 	 224.1256 
 NC728O2 	 O=CCC(CO)C(C)(O[O])CO[N+](=O)[O-] 	 InChI=1S/C7H12NO7/c1-7(15-13,5-14-8(11)12)6(4-10)2-3-9/h3,6,10H,2,4-5H2,1H3 	 222.1727 
 CH3COCLOOH 	 CC(=O)C(Cl)OO 	 InChI=1S/C3H5ClO3/c1-2(5)3(4)7-6/h3,6H,1H3 	 124.5230 
 C4NO3COOOH 	 OOC(C=O)C(C)ON(=O)=O 	 InChI=1S/C4H7NO6/c1-3(10-5(7)8)4(2-6)11-9/h2-4,9H,1H3 	 165.1015 
 C133O 	 OCCC(=O)C(=O)CC(C)(C)C([O])CCC(=O)C 	 InChI=1S/C13H21O5/c1-9(15)4-5-12(18)13(2,3)8-11(17)10(16)6-7-14/h12,14H,4-8H2,1-3H3 	 257.3028 
 CBUT2ENE 	 CC=CC 	 InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3 	 56.1063 
 DNOXYOL 	 Cc1c(C)c(cc(N(=O)=O)c1O)N(=O)=O 	 InChI=1S/C8H8N2O5/c1-4-5(2)8(11)7(10(14)15)3-6(4)9(12)13/h3,11H,1-2H3 	 212.1595 
 C825O 	 OCC(CC([O])C(=O)O)C(=C)C 	 InChI=1S/C8H13O4/c1-5(2)6(4-9)3-7(10)8(11)12/h6-7,9H,1,3-4H2,2H3,(H,11,12) 	 173.1864 
 NDNOETOLO2 	 CCC12OOC(N(=O)=O)(C2ON(=O)=O)C(O)(O[O])C(=C1C)N(=O)=O 	 InChI=1S/C9H10N3O12/c1-3-7-4(2)5(10(14)15)9(13,22-20)8(11(16)17,24-23-7)6(7)21-12(18)19/h6,13H,3H2,1-2H3 	 352.1886 
 COO2C3CO3H 	 COC(=O)CC(=O)OO 	 InChI=1S/C4H6O5/c1-8-3(5)2-4(6)9-7/h7H,2H2,1H3 	 134.0874 
 HM2C43CO3H 	 OCC(C)C(C)C(=O)OO 	 InChI=1S/C6H12O4/c1-4(3-7)5(2)6(8)10-9/h4-5,7,9H,3H2,1-2H3 	 148.1571 
 CO1H63OOH 	 OCCCC(OO)CC=O 	 InChI=1S/C6H12O4/c7-4-1-2-6(10-9)3-5-8/h5-7,9H,1-4H2 	 148.1571 
 NC728OH 	 O=CCC(CO)C(C)(O)CO[N+](=O)[O-] 	 InChI=1S/C7H13NO6/c1-7(11,5-14-8(12)13)6(4-10)2-3-9/h3,6,10-11H,2,4-5H2,1H3 	 207.1812 
 HO3C5OOH 	 CCC(O)CCOO 	 InChI=1S/C5H12O3/c1-2-5(6)3-4-8-7/h5-7H,2-4H2,1H3 	 120.1470 
 C728O2 	 O=CCC(CO)C(C)(CO)O[O] 	 InChI=1S/C7H13O5/c1-7(5-10,12-11)6(4-9)2-3-8/h3,6,9-10H,2,4-5H2,1H3 	 177.1751 
 HO14CO2C4 	 OCCC(=O)CO 	 InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2 	 104.1045 
 MO2EOLAOOH 	 COC(CO)OO 	 InChI=1S/C3H8O4/c1-6-3(2-4)7-5/h3-5H,2H2,1H3 	 108.0932 
 HO2C54OOH 	 OOC(C)CC(C)O 	 InChI=1S/C5H12O3/c1-4(6)3-5(2)8-7/h4-7H,3H2,1-2H3 	 120.1470 
 IPRBQONE 	 O=C1C=CC(=O)C(=C1)C(C)C 	 InChI=1S/C9H10O2/c1-6(2)8-5-7(10)3-4-9(8)11/h3-6H,1-2H3 	 150.1745 
 PPN 	 CCC(=O)OON(=O)=O 	 InChI=1S/C3H5NO5/c1-2-3(5)8-9-4(6)7/h2H2,1H3 	 135.0755 
 PXYLAL 	 O=Cc1ccc(C)cc1 	 InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3 	 120.1485 
 CO1C6O2 	 [O]OCCCCCC=O 	 InChI=1S/C6H11O3/c7-5-3-1-2-4-6-9-8/h5H,1-4,6H2 	 131.1497 
 HEX3ONDOOH 	 CCCC(=O)CCOO 	 InChI=1S/C6H12O3/c1-2-3-6(7)4-5-9-8/h8H,2-5H2,1H3 	 132.1577 
 C727O2 	 [O]OC(CCC(=O)C)C(=O)C 	 InChI=1S/C7H11O4/c1-5(8)3-4-7(11-10)6(2)9/h7H,3-4H2,1-2H3 	 159.1598 
 IPBENZO2 	 [O]Oc1ccccc1C(C)C 	 InChI=1S/C9H11O2/c1-7(2)8-5-3-4-6-9(8)11-10/h3-7H,1-2H3 	 151.1824 
 C915OOH 	 OOC1CCC(=O)C(C=O)C1(C)C 	 InChI=1S/C9H14O4/c1-9(2)6(5-10)7(11)3-4-8(9)13-12/h5-6,8,12H,3-4H2,1-2H3 	 186.2051 
 TBUT2ENE 	 CC=CC 	 InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3 	 56.1063 
 CO36C9 	 CCCC(=O)CCC(=O)CC 	 InChI=1S/C9H16O2/c1-3-5-9(11)7-6-8(10)4-2/h3-7H2,1-2H3 	 156.2221 
 CO1C6OH 	 OCCCCCC=O 	 InChI=1S/C6H12O2/c7-5-3-1-2-4-6-8/h5,8H,1-4,6H2 	 116.1583 
 IPBENZOL 	 CC(C)c1ccccc1O 	 InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3 	 136.1910 
 MALANHYO 	 O=C1OC(=O)C(O)C1[O] 	 InChI=1S/C4H3O5/c5-1-2(6)4(8)9-3(1)7/h1-2,5H 	 131.0636 
 CHOOMCO3H 	 OOC(=O)COC=O 	 InChI=1S/C3H4O5/c4-2-7-1-3(5)8-6/h2,6H,1H2 	 120.0609 
 TM124BCO2H 	 OC(=O)c1ccc(C)c(C)c1 	 InChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H,10,11) 	 150.1745 
 DNT124LO2 	 [O]OC1(O)C(=C(C)C2(OOC1(C)C2(C)O)N(=O)=O)N(=O)=O 	 InChI=1S/C9H11N2O10/c1-4-5(10(14)15)9(13,19-18)7(3)6(2,12)8(4,11(16)17)21-20-7/h12-13H,1-3H3 	 307.1910 
 MO2EOLBOOH 	 OCCOCOO 	 InChI=1S/C3H8O4/c4-1-2-6-3-7-5/h4-5H,1-3H2 	 108.0932 
 NDNIPBLOOH 	 OOC1(O)C(=CC2(OOC1(C(C)C)C2ON(=O)=O)N(=O)=O)N(=O)=O 	 InChI=1S/C9H11N3O12/c1-4(2)8-6(21-12(18)19)7(11(16)17,23-24-8)3-5(10(14)15)9(8,13)22-20/h3-4,6,13,20H,1-2H3 	 353.1965 
 H2M5C65NO3 	 CC(O)CCC(C)(C)ON(=O)=O 	 InChI=1S/C7H15NO4/c1-6(9)4-5-7(2,3)12-8(10)11/h6,9H,4-5H2,1-3H3 	 177.1983 
 NPBNZ1O 	 CCCc1cccc(N(=O)=O)c1[O] 	 InChI=1S/C9H10NO3/c1-2-4-7-5-3-6-8(9(7)11)10(12)13/h3,5-6H,2,4H2,1H3 	 180.1806 
 PBENZOLOH 	 CCCC12OOC(C2O)C(O)(O)C=C1 	 InChI=1S/C9H14O5/c1-2-3-8-4-5-9(11,12)7(6(8)10)13-14-8/h4-7,10-12H,2-3H2,1H3 	 202.2045 
 PETOLOH 	 CCC12OOC(C(=CC2(O)O)C)C1O 	 InChI=1S/C9H14O5/c1-3-8-7(10)6(13-14-8)5(2)4-9(8,11)12/h4,6-7,10-12H,3H2,1-2H3 	 202.2045 
 NEBFUO 	 CCC1OC(=O)C([O])C1ON(=O)=O 	 InChI=1S/C6H8NO6/c1-2-3-5(13-7(10)11)4(8)6(9)12-3/h3-5H,2H2,1H3 	 190.1308 
 NC4DCO2H 	 O=CC(=CC(=O)O)N(=O)=O 	 InChI=1S/C4H3NO5/c6-2-3(5(9)10)1-4(7)8/h1-2H,(H,7,8) 	 145.0703 
 PETLMUCO3H 	 CCC(=O)C=CC1(C)OC1C(=O)OO 	 InChI=1S/C9H12O5/c1-3-6(10)4-5-9(2)7(13-9)8(11)14-12/h4-5,7,12H,3H2,1-2H3 	 200.1886 
 C116CO2H 	 O=CCC1C(CC1(C)C)C(=O)CCC(=O)O 	 InChI=1S/C12H18O4/c1-12(2)7-8(9(12)5-6-13)10(14)3-4-11(15)16/h6,8-9H,3-5,7H2,1-2H3,(H,15,16) 	 226.2689 
 C42NO33O 	 O=N(=O)OC(C)C(C)[O] 	 InChI=1S/C4H8NO4/c1-3(6)4(2)9-5(7)8/h3-4H,1-2H3 	 134.1106 
 C914OOH 	 OOC1C(=O)CC(=O)C(C=O)C1(C)C 	 InChI=1S/C9H12O5/c1-9(2)5(4-10)6(11)3-7(12)8(9)14-13/h4-5,8,13H,3H2,1-2H3 	 200.1886 
 LMLKAO2 	 O=CCC(CC(O[O])C(=O)C)C(=O)C 	 InChI=1S/C9H13O5/c1-6(11)8(3-4-10)5-9(14-13)7(2)12/h4,8-9H,3,5H2,1-2H3 	 201.1965 
 APINCO 	 CC1=CCC(CC1O)C(C)(C)[O] 	 InChI=1S/C10H17O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11H,5-6H2,1-3H3 	 169.2408 
 LMLKAOH 	 O=CCC(CC(O)C(=O)C)C(=O)C 	 InChI=1S/C9H14O4/c1-6(11)8(3-4-10)5-9(13)7(2)12/h4,8-9,13H,3,5H2,1-2H3 	 186.2051 
 CHOC4OHOOH 	 OOCC(O)CCC=O 	 InChI=1S/C5H10O4/c6-3-1-2-5(7)4-9-8/h3,5,7-8H,1-2,4H2 	 134.1305 
 IPRBQOH 	 O=C1C=C(C(C)C)C(=O)C(O)C1O 	 InChI=1S/C9H12O4/c1-4(2)5-3-6(10)8(12)9(13)7(5)11/h3-4,8-9,12-13H,1-2H3 	 184.1892 
 CH3SO2OOH 	 OOS(=O)(=O)C 	 InChI=1S/CH4O4S/c1-6(3,4)5-2/h2H,1H3 	 112.1051 
 EPXMALKT 	 O=CC1(C)OC1C(=O)C 	 InChI=1S/C6H8O3/c1-4(8)5-6(2,3-7)9-5/h3,5H,1-2H3 	 128.1259 
 C620O 	 O=CCC(=O)C([O])CC=O 	 InChI=1S/C6H7O4/c7-3-1-5(9)6(10)2-4-8/h3-5H,1-2H2 	 143.1174 
 MNO3COC4O2 	 CCC(O[O])CC(=O)CON(=O)=O 	 InChI=1S/C6H10NO6/c1-2-6(13-11)3-5(8)4-12-7(9)10/h6H,2-4H2,1H3 	 192.1467 
 IPEAO2 	 CC(CO[O])CC 	 InChI=1S/C5H11O2/c1-3-5(2)4-7-6/h5H,3-4H2,1-2H3 	 103.1396 
 PBENZOLO2 	 CCCC12OOC(C2O)C(O)(O[O])C=C1 	 InChI=1S/C9H13O6/c1-2-3-8-4-5-9(11,14-12)7(6(8)10)13-15-8/h4-7,10-11H,2-3H2,1H3 	 217.1959 
 APINENE 	 CC1=CCC2CC1C2(C)C 	 InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3 	 136.2340 
 CHEXO2 	 [O]OC1CCCCC1 	 InChI=1S/C6H11O2/c7-8-6-4-2-1-3-5-6/h6H,1-5H2 	 115.1503 
 C6PAN18 	 O=N(=O)OOC(=O)C(C)C(C)C 	 InChI=1S/C6H11NO5/c1-4(2)5(3)6(8)11-12-7(9)10/h4-5H,1-3H3 	 177.1552 
 C6PAN19 	 OCC(C)C(C)C(=O)OON(=O)=O 	 InChI=1S/C6H11NO6/c1-4(3-8)5(2)6(9)12-13-7(10)11/h4-5,8H,3H2,1-2H3 	 193.1546 
 HEXBOOH 	 CC(CCCC)OO 	 InChI=1S/C6H14O2/c1-3-4-5-6(2)8-7/h6-7H,3-5H2,1-2H3 	 118.1742 
 C6PAN10 	 CCC(C)CC(=O)OON(=O)=O 	 InChI=1S/C6H11NO5/c1-3-5(2)4-6(8)11-12-7(9)10/h5H,3-4H2,1-2H3 	 177.1552 
 C6PAN11 	 O=C(OON(=O)=O)CC(C)C(C)O 	 InChI=1S/C6H11NO6/c1-4(5(2)8)3-6(9)12-13-7(10)11/h4-5,8H,3H2,1-2H3 	 193.1546 
 C6PAN12 	 O=N(=O)OOC(=O)CC(C)C(=O)C 	 InChI=1S/C6H9NO6/c1-4(5(2)8)3-6(9)12-13-7(10)11/h4H,3H2,1-2H3 	 191.1388 
 C6PAN13 	 OCCC(C)(C)C(=O)OON(=O)=O 	 InChI=1S/C6H11NO6/c1-6(2,3-4-8)5(9)12-13-7(10)11/h8H,3-4H2,1-2H3 	 193.1546 
 C6PAN14 	 OCC(C)(C)CC(=O)OON(=O)=O 	 InChI=1S/C6H11NO6/c1-6(2,4-8)3-5(9)12-13-7(10)11/h8H,3-4H2,1-2H3 	 193.1546 
 C6PAN15 	 CCC(C)(C)C(=O)OON(=O)=O 	 InChI=1S/C6H11NO5/c1-4-6(2,3)5(8)11-12-7(9)10/h4H2,1-3H3 	 177.1552 
 C6PAN16 	 O=N(=O)OOC(=O)C(C)(C)C(=O)C 	 InChI=1S/C6H9NO6/c1-4(8)6(2,3)5(9)12-13-7(10)11/h1-3H3 	 191.1388 
 C6PAN17 	 O=N(=O)OOC(=O)CC(C)(C)C 	 InChI=1S/C6H11NO5/c1-6(2,3)4-5(8)11-12-7(9)10/h4H2,1-3H3 	 177.1552 
 C916O2 	 O=CCCC(=O)C(C=O)C(C)(C)O[O] 	 InChI=1S/C9H13O5/c1-9(2,14-13)7(6-11)8(12)4-3-5-10/h5-7H,3-4H2,1-2H3 	 201.1965 
 PGLYOX 	 CCCC(=O)C=O 	 InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3 	 100.1158 
 C6H5CH2OH 	 OCc1ccccc1 	 InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 	 108.1378 
 C23O3EOH 	 CCC(O)OC(=O)C(=O)C 	 InChI=1S/C6H10O4/c1-3-5(8)10-6(9)4(2)7/h5,8H,3H2,1-2H3 	 146.1412 
 ACCOCOMEO 	 CC(=O)OC(=O)C(=O)C[O] 	 InChI=1S/C5H5O5/c1-3(7)10-5(9)4(8)2-6/h2H2,1H3 	 145.0902 
 C23O3EO2 	 CCC(O[O])OC(=O)C(=O)C 	 InChI=1S/C6H9O5/c1-3-5(11-9)10-6(8)4(2)7/h5H,3H2,1-2H3 	 161.1327 
 M2BKBOOH 	 CCC(C)(OO)C(=O)C 	 InChI=1S/C6H12O3/c1-4-6(3,9-8)5(2)7/h8H,4H2,1-3H3 	 132.1577 
 C6H5CH2O2 	 [O]OCc1ccccc1 	 InChI=1S/C7H7O2/c8-9-6-7-4-2-1-3-5-7/h1-5H,6H2 	 123.1293 
 C916OH 	 O=CCCC(=O)C(C=O)C(C)(C)O 	 InChI=1S/C9H14O4/c1-9(2,13)7(6-11)8(12)4-3-5-10/h5-7,13H,3-4H2,1-2H3 	 186.2051 
 C4M2NO32O 	 O=N(=O)OC(C)(C)C(C)[O] 	 InChI=1S/C5H10NO4/c1-4(7)5(2,3)10-6(8)9/h4H,1-3H3 	 148.1372 
 HM33C4OOH 	 OCCC(C)(C)COO 	 InChI=1S/C6H14O3/c1-6(2,3-4-7)5-9-8/h7-8H,3-5H2,1-2H3 	 134.1736 
 C919OOH 	 O=CCC(=O)C(CC=O)C(C)(C)OO 	 InChI=1S/C9H14O5/c1-9(2,14-13)7(3-5-10)8(12)4-6-11/h5-7,13H,3-4H2,1-2H3 	 202.2045 
 EPXDLCO3H 	 OOC(=O)C1OC1C=O 	 InChI=1S/C4H4O5/c5-1-2-3(8-2)4(6)9-7/h1-3,7H 	 132.0716 
 LIMALOOH 	 O=CCC(CCC(=O)C)C(C)(CO)OO 	 InChI=1S/C10H18O5/c1-8(13)3-4-9(5-6-11)10(2,7-12)15-14/h6,9,12,14H,3-5,7H2,1-2H3 	 218.2469 
 NC2OO 	 [O-][O+]=CCON(=O)=O 	 InChI=1S/C2H3NO5/c4-3(5)7-1-2-8-6/h2H,1H2 	 121.0489 
 CLOHCO2H 	 OC(=O)C(O)Cl 	 InChI=1S/C2H3ClO3/c3-1(4)2(5)6/h1,4H,(H,5,6) 	 110.4964 
 OXYQO 	 OC1C([O])C(=O)C(=C(C)C1=O)C 	 InChI=1S/C8H9O4/c1-3-4(2)6(10)8(12)7(11)5(3)9/h7-8,11H,1-2H3 	 169.1547 
 NLIMALOOH 	 O=CCC(CCC(=O)C)C(C)(OO)CO[N+](=O)[O-] 	 InChI=1S/C10H17NO7/c1-8(13)3-4-9(5-6-12)10(2,18-16)7-17-11(14)15/h6,9,16H,3-5,7H2,1-2H3 	 263.2445 
 IC4H9O2 	 [O]OCC(C)C 	 InChI=1S/C4H9O2/c1-4(2)3-6-5/h4H,3H2,1-2H3 	 89.1131 
 PBZMUCCO 	 CCCC(=O)C(=O)C(O)C1OC1C=O 	 InChI=1S/C9H12O5/c1-2-3-5(11)7(12)8(13)9-6(4-10)14-9/h4,6,8-9,13H,2-3H2,1H3 	 200.1886 
 C914CO 	 O=CC1C(=O)CC(=O)C(=O)C1(C)C 	 InChI=1S/C9H10O4/c1-9(2)5(4-10)6(11)3-7(12)8(9)13/h4-5H,3H2,1-2H3 	 182.1733 
 CHOOCHO 	 O=COC=O 	 InChI=1S/C2H2O3/c3-1-5-2-4/h1-2H 	 74.0355 
 C515O 	 [O]CC(=O)C(=O)CC=O 	 InChI=1S/C5H5O4/c6-2-1-4(8)5(9)3-7/h2H,1,3H2 	 129.0908 
 TM124MUPAN 	 O=N(=O)OOC(=O)C1(C)OC1(C)C=CC(=O)C 	 InChI=1S/C9H11NO7/c1-6(11)4-5-8(2)9(3,16-8)7(12)15-17-10(13)14/h4-5H,1-3H3 	 245.1861 
 NEBNZOLO 	 CCC12OOC(C2ON(=O)=O)C([O])(O)C=C1 	 InChI=1S/C8H10NO7/c1-2-7-3-4-8(10,11)6(15-16-7)5(7)14-9(12)13/h3-6,10H,2H2,1H3 	 232.1675 
 C813OH 	 OCC(CC(=O)C(=O)O)C(C)(C)O 	 InChI=1S/C8H14O5/c1-8(2,13)5(4-9)3-6(10)7(11)12/h5,9,13H,3-4H2,1-2H3,(H,11,12) 	 190.1938 
 C918CO3 	 [O]OC(=O)C1(O)CCC2CC1C2(C)C 	 InChI=1S/C10H15O4/c1-9(2)6-3-4-10(12,7(9)5-6)8(11)14-13/h6-7,12H,3-5H2,1-2H3 	 199.2237 
 DM35EBO2 	 [O]OC(C)c1cc(C)cc(C)c1 	 InChI=1S/C10H13O2/c1-7-4-8(2)6-10(5-7)9(3)12-11/h4-6,9H,1-3H3 	 165.2090 
 ACBUONEBO 	 CCC(=O)C([O])OC(=O)C 	 InChI=1S/C6H9O4/c1-3-5(8)6(9)10-4(2)7/h6H,3H2,1-2H3 	 145.1333 
 PEBQOOH 	 OOCC(=O)C=C(CC)C(=O)CO.O=C1CCC(=O)C(=C1)C 	 InChI=1S/C8H12O5.C7H8O2/c1-2-6(8(11)4-9)3-7(10)5-13-12;1-5-4-6(8)2-3-7(5)9/h3,9,12H,2,4-5H2,1H3;4H,2-3H2,1H3 	 312.3151 
 NEOPO 	 [O]CC(C)(C)C 	 InChI=1S/C5H11O/c1-5(2,3)4-6/h4H2,1-3H3 	 87.1402 
 C131OOH 	 OOCCC(=O)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C13H22O4/c1-9(14)4-5-11-10(8-13(11,2)3)12(15)6-7-17-16/h10-11,16H,4-8H2,1-3H3 	 242.3114 
 HOCO4C5OOH 	 OOCC(=O)CC(C)O 	 InChI=1S/C5H10O4/c1-4(6)2-5(7)3-9-8/h4,6,8H,2-3H2,1H3 	 134.1305 
 PR2OHMOX 	 COCC(C)O 	 InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3 	 90.1210 
 TM123OLO 	 CC1=C(C)C2(C)OOC(C2O)C1([O])O 	 InChI=1S/C9H13O5/c1-4-5(2)9(11,12)7-6(10)8(4,3)14-13-7/h6-7,10-11H,1-3H3 	 201.1965 
 C53NO32OOH 	 CCC(ON(=O)=O)C(C)OO 	 InChI=1S/C5H11NO5/c1-3-5(4(2)11-9)10-6(7)8/h4-5,9H,3H2,1-2H3 	 165.1445 
 IPECNO3 	 CCC(C)(C)ON(=O)=O 	 InChI=1S/C5H11NO3/c1-4-5(2,3)9-6(7)8/h4H2,1-3H3 	 133.1457 
 HO36C12 	 CCCCCCC(O)CCC(O)CC 	 InChI=1S/C12H26O2/c1-3-5-6-7-8-12(14)10-9-11(13)4-2/h11-14H,3-10H2,1-2H3 	 202.3336 
 C66CO 	 CC(CO)C(=O)C(=O)C 	 InChI=1S/C6H10O3/c1-4(3-7)6(9)5(2)8/h4,7H,3H2,1-2H3 	 130.1418 
 ACETC2H4O 	 CC(=O)OCC[O] 	 InChI=1S/C4H7O3/c1-4(6)7-3-2-5/h2-3H2,1H3 	 103.0966 
 C8OHCO2PAN 	 CCCC(=CC(=O)OON(=O)=O)C(=O)C(O)C=O 	 InChI=1S/C9H11NO8/c1-2-3-6(9(14)7(12)5-11)4-8(13)17-18-10(15)16/h4-5,7,12H,2-3H2,1H3 	 261.1855 
 CCLNO3CO 	 [O]CC(Cl)ON(=O)=O 	 InChI=1S/C2H3ClNO4/c3-2(1-5)8-4(6)7/h2H,1H2 	 140.5025 
 OXYLCO3 	 [O]OC(=O)c1ccccc1C 	 InChI=1S/C8H7O3/c1-6-4-2-3-5-7(6)8(9)11-10/h2-5H,1H3 	 151.1394 
 C6HOCOOOH 	 OCCC(=O)C(CC)OO 	 InChI=1S/C6H12O4/c1-2-6(10-9)5(8)3-4-7/h6-7,9H,2-4H2,1H3 	 148.1571 
 HO2C54CHO 	 CC(CC(C)O)C=O 	 InChI=1S/C6H12O2/c1-5(4-7)3-6(2)8/h4-6,8H,3H2,1-2H3 	 116.1583 
 CO2C4CO2H 	 CC(=O)CCC(=O)O 	 InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8) 	 116.1152 
 NDNT124OOH 	 OOC1(O)C(=C(C)C2(OOC1(C)C2(C)ON(=O)=O)N(=O)=O)N(=O)=O 	 InChI=1S/C9H11N3O12/c1-4-5(10(14)15)9(13,22-20)7(3)6(2,21-12(18)19)8(4,11(16)17)24-23-7/h13,20H,1-3H3 	 353.1965 
 C618OOH 	 O=CCC(=O)C(C)(C)OO 	 InChI=1S/C6H10O4/c1-6(2,10-9)5(8)3-4-7/h4,9H,3H2,1-2H3 	 146.1412 
 OETLBPROOH 	 CCC1(OO)C=CC2OOC1(C)C2O 	 InChI=1S/C9H14O5/c1-3-9(13-11)5-4-6-7(10)8(9,2)14-12-6/h4-7,10-11H,3H2,1-2H3 	 202.2045 
 MSA 	 CS(=O)(=O)O 	 InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4) 	 96.1057 
 CO2C4CO3 	 CC(=O)CCC(=O)O[O] 	 InChI=1S/C5H7O4/c1-4(6)2-3-5(7)9-8/h2-3H2,1H3 	 131.1067 
 CO3C75O2 	 CCC(=O)CC(CC)O[O] 	 InChI=1S/C7H13O3/c1-3-6(8)5-7(4-2)10-9/h7H,3-5H2,1-2H3 	 145.1763 
 CHOOCH2NO3 	 O=COCON(=O)=O 	 InChI=1S/C2H3NO5/c4-1-7-2-8-3(5)6/h1H,2H2 	 121.0489 
 C818OH 	 OCC(CC(O)C(=O)C)C(=O)C 	 InChI=1S/C8H14O4/c1-5(10)7(4-9)3-8(12)6(2)11/h7-9,12H,3-4H2,1-2H3 	 174.1944 
 C720NO3 	 O=N(=O)OC1CC=C(C)C(O)C1 	 InChI=1S/C7H11NO4/c1-5-2-3-6(4-7(5)9)12-8(10)11/h2,6-7,9H,3-4H2,1H3 	 173.1665 
 NPEBQO 	 CCC1=CC(=O)C([O])C(ON(=O)=O)C1=O 	 InChI=1S/C8H8NO6/c1-2-4-3-5(10)7(12)8(6(4)11)15-9(13)14/h3,7-8H,2H2,1H3 	 214.1522 
 C1012O 	 O=CCC(C)(C)C([O])CCC(=O)C 	 InChI=1S/C10H17O3/c1-8(12)4-5-9(13)10(2,3)6-7-11/h7,9H,4-6H2,1-3H3 	 185.2402 
 C818O2 	 OCC(CC(O[O])C(=O)C)C(=O)C 	 InChI=1S/C8H13O5/c1-5(10)7(4-9)3-8(13-12)6(2)11/h7-9H,3-4H2,1-2H3 	 189.1858 
 H3C2C4CO3H 	 CC(=O)C(O)CC(=O)OO 	 InChI=1S/C5H8O5/c1-3(6)4(7)2-5(8)10-9/h4,7,9H,2H2,1H3 	 148.1140 
 C4COMOHOOH 	 CCC(OO)CC(=O)CO 	 InChI=1S/C6H12O4/c1-2-6(10-9)3-5(8)4-7/h6-7,9H,2-4H2,1H3 	 148.1571 
 TM123BOOH 	 Cc1c(COO)cccc1C 	 InChI=1S/C9H12O2/c1-7-4-3-5-9(6-11-10)8(7)2/h3-5,10H,6H2,1-2H3 	 152.1904 
 C4CODBCO3H 	 OOC(=O)C=C(C)C=O 	 InChI=1S/C5H6O4/c1-4(3-6)2-5(7)9-8/h2-3,8H,1H3 	 130.0987 
 IPMLNHY2OH 	 O=C1OC(=O)C(O)(C(C)C)C1O 	 InChI=1S/C7H10O5/c1-3(2)7(11)4(8)5(9)12-6(7)10/h3-4,8,11H,1-2H3 	 174.1513 
 ECO3PAN 	 CCC(=O)C(=O)C(=O)C(=O)OON(=O)=O 	 InChI=1S/C6H5NO8/c1-2-3(8)4(9)5(10)6(11)14-15-7(12)13/h2H2,1H3 	 219.1058 
 IPROACETO2 	 [O]OC(C)(C)OC(=O)C 	 InChI=1S/C5H9O4/c1-4(6)8-5(2,3)9-7/h1-3H3 	 133.1226 
 C61CO 	 CC(=O)CC(=O)C(C)O 	 InChI=1S/C6H10O3/c1-4(7)3-6(9)5(2)8/h5,8H,3H2,1-2H3 	 130.1418 
 C6M5CO2OOH 	 OOC(C)(C=O)C=CC(=O)C 	 InChI=1S/C7H10O4/c1-6(9)3-4-7(2,5-8)11-10/h3-5,10H,1-2H3 	 158.1519 
 BCLKBOH 	 O=CCCC(=O)C1CC(C)(C)C1CCC(=O)CO 	 InChI=1S/C14H22O4/c1-14(2)8-11(13(18)4-3-7-15)12(14)6-5-10(17)9-16/h7,11-12,16H,3-6,8-9H2,1-2H3 	 254.3221 
 NC826OH 	 O=CCC(CC=O)C(C)(O)CO[N+](=O)[O-] 	 InChI=1S/C8H13NO6/c1-8(12,6-15-9(13)14)7(2-4-10)3-5-11/h4-5,7,12H,2-3,6H2,1H3 	 219.1919 
 C128OH 	 OCCC(=C)C(=O)CC(C)(C)C(O)CC=O 	 InChI=1S/C12H20O4/c1-9(4-6-13)10(15)8-12(2,3)11(16)5-7-14/h7,11,13,16H,1,4-6,8H2,2-3H3 	 228.2848 
 HEX3ONANO3 	 CCC(=O)CC(C)ON(=O)=O 	 InChI=1S/C6H11NO4/c1-3-6(8)4-5(2)11-7(9)10/h5H,3-4H2,1-2H3 	 161.1558 
 BCLKBOC 	 O=CCCC(=O)C1CC(C)(C)C1CCC(=O)OC 	 InChI=1S/C14H22O4/c1-14(2)9-10(12(16)5-4-8-15)11(14)6-7-13(17)18-3/h8,10-11H,4-7,9H2,1-3H3 	 254.3221 
 M23C4O2 	 [O]OCC(C)C(C)C 	 InChI=1S/C6H13O2/c1-5(2)6(3)4-8-7/h5-6H,4H2,1-3H3 	 117.1662 
 CHOPRNO3 	 O=CC(C)ON(=O)=O 	 InChI=1S/C3H5NO4/c1-3(2-5)8-4(6)7/h2-3H,1H3 	 119.0761 
 C1011NO3 	 CC(=O)CCC1C(O[N+](=O)[O-])CC1(C)C 	 InChI=1S/C10H17NO4/c1-7(12)4-5-8-9(15-11(13)14)6-10(8,2)3/h8-9H,4-6H2,1-3H3 	 215.2463 
 HM22COCHO 	 O=CC(=O)C(C)(C)CO 	 InChI=1S/C6H10O3/c1-6(2,4-8)5(9)3-7/h3,8H,4H2,1-2H3 	 130.1418 
 PENTACID 	 CCCCC(=O)O 	 InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7) 	 102.1317 
 MACROH 	 CC(O)(CO)C=O 	 InChI=1S/C4H8O3/c1-4(7,2-5)3-6/h2,6-7H,3H2,1H3 	 104.1045 
 MACROO 	 [O-][O+]=CC(=C)C 	 InChI=1S/C4H6O2/c1-4(2)3-6-5/h3H,1H2,2H3 	 86.0892 
 ETHO2HNO3 	 OOCCON(=O)=O 	 InChI=1S/C2H5NO5/c4-3(5)7-1-2-8-6/h6H,1-2H2 	 123.0648 
 HM33C4OH 	 OCCC(C)(C)CO 	 InChI=1S/C6H14O2/c1-6(2,5-8)3-4-7/h7-8H,3-5H2,1-2H3 	 118.1742 
 CH2OHCCLOH 	 OCC(O)Cl 	 InChI=1S/C2H5ClO2/c3-2(5)1-4/h2,4-5H,1H2 	 96.5129 
 C732CO3 	 [O]OC(=O)CC(CCC(=O)O)C(=O)C 	 InChI=1S/C8H11O6/c1-5(9)6(2-3-7(10)11)4-8(12)14-13/h6H,2-4H2,1H3,(H,10,11) 	 203.1693 
 CH2OHCCLO2 	 OCC(Cl)O[O] 	 InChI=1S/C2H4ClO3/c3-2(1-4)6-5/h2,4H,1H2 	 111.5044 
 NBZQO2 	 [O]OC1C(=O)C=CC(=O)C1ON(=O)=O 	 InChI=1S/C6H4NO7/c8-3-1-2-4(9)6(14-12)5(3)13-7(10)11/h1-2,5-6H 	 202.0985 
 HM33C4O2 	 OCCC(C)(C)CO[O] 	 InChI=1S/C6H13O3/c1-6(2,3-4-7)5-9-8/h7H,3-5H2,1-2H3 	 133.1656 
 MACRO2 	 OCC(C)(O[O])C=O 	 InChI=1S/C4H7O4/c1-4(2-5,3-6)8-7/h2,6H,3H2,1H3 	 119.0960 
 C2H5CHOO 	 [O-][O+]=CCC 	 InChI=1S/C3H6O2/c1-2-3-5-4/h3H,2H2,1H3 	 74.0785 
 BOX2COMOH 	 CCCCOC(=O)CO 	 InChI=1S/C6H12O3/c1-2-3-4-9-6(8)5-7/h7H,2-5H2,1H3 	 132.1577 
 NPETOL1O2 	 CCc1ccc(C)c(N(=O)=O)c1O[O] 	 InChI=1S/C9H10NO4/c1-3-7-5-4-6(2)8(10(11)12)9(7)14-13/h4-5H,3H2,1-2H3 	 196.1800 
 MXYOBPEROH 	 O=C1C=CC2(C)OOC1(C)C2O 	 InChI=1S/C8H10O4/c1-7-4-3-5(9)8(2,6(7)10)12-11-7/h3-4,6,10H,1-2H3 	 170.1626 
 IPNCATECO2 	 [O]OC1(O)C(=C(N(=O)=O)C2OOC1(C(C)C)C2O)O 	 InChI=1S/C9H12NO9/c1-3(2)8-7(12)5(17-19-8)4(10(14)15)6(11)9(8,13)18-16/h3,5,7,11-13H,1-2H3 	 278.1929 
 DECNO3 	 CCCCCCCC(CC)ON(=O)=O 	 InChI=1S/C10H21NO3/c1-3-5-6-7-8-9-10(4-2)14-11(12)13/h10H,3-9H2,1-2H3 	 203.2786 
 M23C4OH 	 OCC(C)C(C)C 	 InChI=1S/C6H14O/c1-5(2)6(3)4-7/h5-7H,4H2,1-3H3 	 102.1748 
 C4ECO2O 	 CCC([O])(C=O)C(=O)C 	 InChI=1S/C6H9O3/c1-3-6(9,4-7)5(2)8/h4H,3H2,1-2H3 	 129.1339 
 C128O2 	 OCCC(=C)C(=O)CC(C)(C)C(O[O])CC=O 	 InChI=1S/C12H19O5/c1-9(4-6-13)10(15)8-12(2,3)11(17-16)5-7-14/h7,11,13H,1,4-6,8H2,2-3H3 	 243.2763 
 C822OOH 	 OOCCC(CC=O)C(=C)C 	 InChI=1S/C8H14O3/c1-7(2)8(3-5-9)4-6-11-10/h5,8,10H,1,3-4,6H2,2H3 	 158.1950 
 BCLKBO2 	 O=CCCC(=O)C1CC(C)(C)C1CCC(=O)CO[O] 	 InChI=1S/C14H21O5/c1-14(2)8-11(13(17)4-3-7-15)12(14)6-5-10(16)9-19-18/h7,11-12H,3-6,8-9H2,1-2H3 	 269.3135 
 IPEBO 	 CC([O])C(C)C 	 InChI=1S/C5H11O/c1-4(2)5(3)6/h4-5H,1-3H3 	 87.1402 
 TOL1OHNO2 	 O=N(=O)c1cccc(C)c1O 	 InChI=1S/C7H7NO3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3 	 153.1354 
 EOX2ETB2OH 	 OCCOC(C)O 	 InChI=1S/C4H10O3/c1-4(6)7-3-2-5/h4-6H,2-3H2,1H3 	 106.1204 
 HO2C6O 	 CC(O)CCC(C)[O] 	 InChI=1S/C6H13O2/c1-5(7)3-4-6(2)8/h5-7H,3-4H2,1-2H3 	 117.1662 
 CH3OCH2OOH 	 COCOO 	 InChI=1S/C2H6O3/c1-4-2-5-3/h3H,2H2,1H3 	 78.0672 
 C731CO3H 	 O=CCC(CCC(=O)OO)C(=O)C 	 InChI=1S/C8H12O5/c1-6(10)7(4-5-9)2-3-8(11)13-12/h5,7,12H,2-4H2,1H3 	 188.1779 
 MPRANO3OOH 	 OOC(C)(C)CON(=O)=O 	 InChI=1S/C4H9NO5/c1-4(2,10-8)3-9-5(6)7/h8H,3H2,1-2H3 	 151.1180 
 C59O 	 OCC(=O)C(C)([O])CO 	 InChI=1S/C5H9O4/c1-5(9,3-7)4(8)2-6/h6-7H,2-3H2,1H3 	 133.1226 
 NBZQO 	 O=N(=O)OC1C(=O)C=CC(=O)C1[O] 	 InChI=1S/C6H4NO6/c8-3-1-2-4(9)6(5(3)10)13-7(11)12/h1-2,5-6H 	 186.0991 
 C65O2 	 [O]OC(C)(C=O)CC(=O)C 	 InChI=1S/C6H9O4/c1-5(8)3-6(2,4-7)10-9/h4H,3H2,1-2H3 	 145.1333 
 CO2H3MCO3H 	 CC(O)(C(=O)OO)C(=O)C 	 InChI=1S/C5H8O5/c1-3(6)5(2,8)4(7)10-9/h8-9H,1-2H3 	 148.1140 
 MECOACETO 	 CC(=O)OC(=O)C[O] 	 InChI=1S/C4H5O4/c1-3(6)8-4(7)2-5/h2H2,1H3 	 117.0801 
 HOIBUTCHO 	 CC(CC=O)CO 	 InChI=1S/C5H10O2/c1-5(4-7)2-3-6/h3,5,7H,2,4H2,1H3 	 102.1317 
 PEBO2 	 CC(CCC)O[O] 	 InChI=1S/C5H11O2/c1-3-4-5(2)7-6/h5H,3-4H2,1-2H3 	 103.1396 
 PEBOH 	 CCCC(C)O 	 InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3 	 88.1482 
 NTM123OLO 	 O=N(=O)OC1C2OOC1(C)C(=C(C)C2([O])O)C 	 InChI=1S/C9H12NO7/c1-4-5(2)9(11,12)7-6(15-10(13)14)8(4,3)17-16-7/h6-7,11H,1-3H3 	 246.1941 
 C65OH 	 O=CC(C)(O)CC(=O)C 	 InChI=1S/C6H10O3/c1-5(8)3-6(2,9)4-7/h4,9H,3H2,1-2H3 	 130.1418 
 C14O3IPCHO 	 O=CC(=O)OC(C=O)C(C)C 	 InChI=1S/C7H10O4/c1-5(2)6(3-8)11-7(10)4-9/h3-6H,1-2H3 	 158.1519 
 DNEBNZLOOH 	 CCC12OOC(C=C(N(=O)=O)C2(O)OO)(N(=O)=O)C1O 	 InChI=1S/C8H10N2O10/c1-2-6-5(11)7(10(15)16,20-19-6)3-4(9(13)14)8(6,12)18-17/h3,5,11-12,17H,2H2,1H3 	 294.1724 
 CCL3PAN 	 O=N(=O)OOC(=O)C(Cl)(Cl)Cl 	 InChI=1S/C2Cl3NO5/c3-2(4,5)1(7)10-11-6(8)9 	 224.3841 
 C61NO3 	 CC(=O)CC(ON(=O)=O)C(C)O 	 InChI=1S/C6H11NO5/c1-4(8)3-6(5(2)9)12-7(10)11/h5-6,9H,3H2,1-2H3 	 177.1552 
 HOCO3C54O2 	 OCCC(=O)C(C)O[O] 	 InChI=1S/C5H9O4/c1-4(9-8)5(7)2-3-6/h4,6H,2-3H2,1H3 	 133.1226 
 NBUTDAO 	 C=CC([O])CON(=O)=O 	 InChI=1S/C4H6NO4/c1-2-4(6)3-9-5(7)8/h2,4H,1,3H2 	 132.0947 
 MXNNCATCO2 	 [O]OC1(O)C(=C(N(=O)=O)C2(C)OOC1(C)C2ON(=O)=O)O 	 InChI=1S/C8H9N2O11/c1-6-3(9(13)14)4(11)8(12,19-17)7(2,21-20-6)5(6)18-10(15)16/h5,11-12H,1-2H3 	 309.1639 
 CLCOCLOOH 	 OOC(Cl)C(=O)Cl 	 InChI=1S/C2H2Cl2O3/c3-1(5)2(4)7-6/h2,6H 	 144.9415 
 C1311O 	 O=CCCC(=C)C1([O])CC(C)(C)C1CCO 	 InChI=1S/C13H21O3/c1-10(5-4-7-14)13(16)9-12(2,3)11(13)6-8-15/h7,11,15H,1,4-6,8-9H2,2-3H3 	 225.3040 
 C1012CO 	 O=CCC(C)(C)C(=O)CCC(=O)C 	 InChI=1S/C10H16O3/c1-8(12)4-5-9(13)10(2,3)6-7-11/h7H,4-6H2,1-3H3 	 184.2322 
 C6COCHOCO3 	 O=CCCC(=O)CC(=O)O[O] 	 InChI=1S/C6H7O5/c7-3-1-2-5(8)4-6(9)11-10/h3H,1-2,4H2 	 159.1168 
 NC91PAN 	 O=N(=O)OOC(=O)C1(CCC2CC1C2(C)C)ON(=O)=O 	 InChI=1S/C10H14N2O8/c1-9(2)6-3-4-10(7(9)5-6,19-11(14)15)8(13)18-20-12(16)17/h6-7H,3-5H2,1-2H3 	 290.2268 
 C3EDIALO 	 CCC([O])(C=O)C=O 	 InChI=1S/C5H7O3/c1-2-5(8,3-6)4-7/h3-4H,2H2,1H3 	 115.1073 
 PTLQO 	 O=C1C=C(C)C(=O)C(O)C1[O] 	 InChI=1S/C7H7O4/c1-3-2-4(8)6(10)7(11)5(3)9/h2,6-7,11H,1H3 	 155.1281 
 C89CO3H 	 O=CCC1CC(C(=O)OO)C1(C)C 	 InChI=1S/C9H14O4/c1-9(2)6(3-4-10)5-7(9)8(11)13-12/h4,6-7,12H,3,5H2,1-2H3 	 186.2051 
 CCL2CL2OOH 	 OOC(Cl)(Cl)C(Cl)Cl 	 InChI=1S/C2H2Cl4O2/c3-1(4)2(5,6)8-7/h1,7H 	 199.8481 
 HMVKAO 	 CC(=O)C(O)C[O] 	 InChI=1S/C4H7O3/c1-3(6)4(7)2-5/h4,7H,2H2,1H3 	 103.0966 
 IPBZBIPRO2 	 [O]OC1C=CC2(OOC1C2O)C(C)C 	 InChI=1S/C9H13O5/c1-5(2)9-4-3-6(12-11)7(8(9)10)13-14-9/h3-8,10H,1-2H3 	 201.1965 
 C927OOH 	 OCCC(=C)C(=O)CC(C)(C)OO 	 InChI=1S/C9H16O4/c1-7(4-5-10)8(11)6-9(2,3)13-12/h10,12H,1,4-6H2,2-3H3 	 188.2209 
 CL12PAN 	 ClCC(Cl)C(=O)OON(=O)=O 	 InChI=1S/C3H3Cl2NO5/c4-1-2(5)3(7)10-11-6(8)9/h2H,1H2 	 203.9656 
 OET1O2 	 CCc1c(O[O])cccc1C 	 InChI=1S/C9H11O2/c1-3-8-7(2)5-4-6-9(8)11-10/h4-6H,3H2,1-2H3 	 151.1824 
 HO24C4CO3H 	 OOC(=O)C(O)CC(C)O 	 InChI=1S/C5H10O5/c1-3(6)2-4(7)5(8)10-9/h3-4,6-7,9H,2H2,1H3 	 150.1299 
 C510O2 	 O=CC(O)C(C)(O[O])CON(=O)=O 	 InChI=1S/C5H8NO7/c1-5(13-11,4(8)2-7)3-12-6(9)10/h2,4,8H,3H2,1H3 	 194.1195 
 C151OOH 	 OCC(OO)(CCC(=O)O)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C15H26O6/c1-10(17)4-5-11-12(8-14(11,2)3)15(9-16,21-20)7-6-13(18)19/h11-12,16,20H,4-9H2,1-3H3,(H,18,19) 	 302.3633 
 C715O2 	 [O]OC(C)(C(=O)C)C(=O)C(=O)C 	 InChI=1S/C7H9O5/c1-4(8)6(10)7(3,12-11)5(2)9/h1-3H3 	 173.1434 
 C67OH 	 O=CCC(O)C(C)(C)O 	 InChI=1S/C6H12O3/c1-6(2,9)5(8)3-4-7/h4-5,8-9H,3H2,1-2H3 	 132.1577 
 C7ADICARB 	 O=CC(=C(C)C(=O)C)C 	 InChI=1S/C7H10O2/c1-5(4-8)6(2)7(3)9/h4H,1-3H3 	 126.1531 
 HM22C4NO3 	 OCC(C)(C)CCON(=O)=O 	 InChI=1S/C6H13NO4/c1-6(2,5-8)3-4-11-7(9)10/h8H,3-5H2,1-2H3 	 163.1717 
 MTBEBNO3 	 COC(C)(C)CON(=O)=O 	 InChI=1S/C5H11NO4/c1-5(2,9-3)4-10-6(7)8/h4H2,1-3H3 	 149.1451 
 PXCATECOOA 	 [O-][O+]=C(O)C(=C/C=C(\C)/C(=O)O)C 	 InChI=1S/C8H10O5/c1-5(7(9)10)3-4-6(2)8(11)13-12/h3-4,11H,1-2H3,(H,9,10)/b5-3+,6-4? 	 186.1620 
 C1014O2 	 O=CCC(C)(C)C(O[O])CCC(=O)OC 	 InChI=1S/C10H17O5/c1-10(2,6-7-11)8(15-13)4-5-9(12)14-3/h7-8H,4-6H2,1-3H3 	 217.2390 
 HC3CO3 	 OCC=CC(=O)O[O] 	 InChI=1S/C4H5O4/c5-3-1-2-4(6)8-7/h1-2,5H,3H2 	 117.0801 
 C2CL2OHO2 	 [O]OC(Cl)C(O)Cl 	 InChI=1S/C2H3Cl2O3/c3-1(5)2(4)7-6/h1-2,5H 	 145.9494 
 HO124C5 	 OCC(O)CC(C)O 	 InChI=1S/C5H12O3/c1-4(7)2-5(8)3-6/h4-8H,2-3H2,1H3 	 120.1470 
 C4OCCOHCOH 	 CC(O)C(O)C=O 	 InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3 	 104.1045 
 C135O 	 OCC([O])C(=O)C(=O)C(=O)C(C)(C)C(=O)CCC(=O)C 	 InChI=1S/C13H17O7/c1-7(15)4-5-9(17)13(2,3)12(20)11(19)10(18)8(16)6-14/h8,14H,4-6H2,1-3H3 	 285.2699 
 C1011CO 	 CC(=O)CCC1C(=O)CC1(C)C 	 InChI=1S/C10H16O2/c1-7(11)4-5-8-9(12)6-10(8,2)3/h8H,4-6H2,1-3H3 	 168.2328 
 MO2EOLA2OH 	 COC(O)CO 	 InChI=1S/C3H8O3/c1-6-3(5)2-4/h3-5H,2H2,1H3 	 92.0938 
 C96OH 	 OCC1CC(C(=O)C)C1(C)C 	 InChI=1S/C9H16O2/c1-6(11)8-4-7(5-10)9(8,2)3/h7-8,10H,4-5H2,1-3H3 	 156.2221 
 C5NO3CO4O2 	 [O]OC(C)C(=O)C(C)ON(=O)=O 	 InChI=1S/C5H8NO6/c1-3(11-6(8)9)5(7)4(2)12-10/h3-4H,1-2H3 	 178.1201 
 C96O2 	 [O]OCC1CC(C(=O)C)C1(C)C 	 InChI=1S/C9H15O3/c1-6(10)8-4-7(5-12-11)9(8,2)3/h7-8H,4-5H2,1-3H3 	 171.2136 
 C5NO3CO4OH 	 CC(O)CC(=O)CON(=O)=O 	 InChI=1S/C5H9NO5/c1-4(7)2-5(8)3-11-6(9)10/h4,7H,2-3H2,1H3 	 163.1287 
 CO2M3C4CO3 	 CC(CC(=O)O[O])C(=O)C 	 InChI=1S/C6H9O4/c1-4(5(2)7)3-6(8)10-9/h4H,3H2,1-2H3 	 145.1333 
 PECOOH 	 CCC(CC)OO 	 InChI=1S/C5H12O2/c1-3-5(4-2)7-6/h5-6H,3-4H2,1-2H3 	 104.1476 
 C4NO3OCO 	 O=CC([O])C(C)ON(=O)=O 	 InChI=1S/C4H6NO5/c1-3(4(7)2-6)10-5(8)9/h2-4H,1H3 	 148.0941 
 C51CO3H 	 CC(CC(=O)OO)C(=O)C 	 InChI=1S/C6H10O4/c1-4(5(2)7)3-6(8)10-9/h4,9H,3H2,1-2H3 	 146.1412 
 C4OCCOHCO2 	 [O]OC(C)C(O)C=O 	 InChI=1S/C4H7O4/c1-3(8-7)4(6)2-5/h2-4,6H,1H3 	 119.0960 
 DEC3ONE 	 CCCCCCCC(=O)CC 	 InChI=1S/C10H20O/c1-3-5-6-7-8-9-10(11)4-2/h3-9H2,1-2H3 	 156.2652 
 C113O 	 CCCCCC(O)C([O])CC(=O)CC 	 InChI=1S/C11H21O3/c1-3-5-6-7-10(13)11(14)8-9(12)4-2/h10-11,13H,3-8H2,1-2H3 	 201.2826 
 NPXYFUO2 	 [O]OC1(C)C(=O)OCC1ON(=O)=O 	 InChI=1S/C5H6NO7/c1-5(13-10)3(12-6(8)9)2-11-4(5)7/h3H,2H2,1H3 	 192.1036 
 MC3ODBCO3H 	 CC(=CC=O)C(=O)OO 	 InChI=1S/C5H6O4/c1-4(2-3-6)5(7)9-8/h2-3,8H,1H3 	 130.0987 
 CH3CHCLO 	 CC([O])Cl 	 InChI=1S/C2H4ClO/c1-2(3)4/h2H,1H3 	 79.5056 
 LIMALBCO 	 O=CCC(CCC(=O)C=O)C(=C)C 	 InChI=1S/C10H14O3/c1-8(2)9(5-6-11)3-4-10(13)7-12/h6-7,9H,1,3-5H2,2H3 	 182.2164 
 TM124OLO2 	 [O]OC1(O)C(=C(C)C2OOC1(C)C2O)C 	 InChI=1S/C9H13O6/c1-4-5(2)9(11,14-12)8(3)7(10)6(4)13-15-8/h6-7,10-11H,1-3H3 	 217.1959 
 C918PAN 	 O=N(=O)OOC(=O)C1(O)CCC2CC1C2(C)C 	 InChI=1S/C10H15NO6/c1-9(2)6-3-4-10(13,7(9)5-6)8(12)16-17-11(14)15/h6-7,13H,3-5H2,1-2H3 	 245.2292 
 HO3C126O2 	 CCCCCCC(O[O])CCC(O)CC 	 InChI=1S/C12H25O3/c1-3-5-6-7-8-12(15-14)10-9-11(13)4-2/h11-13H,3-10H2,1-2H3 	 217.3251 
 PTLQOH 	 O=C1C=C(C)C(=O)C(O)C1O 	 InChI=1S/C7H8O4/c1-3-2-4(8)6(10)7(11)5(3)9/h2,6-7,10-11H,1H3 	 156.1360 
 C4CHOBO2 	 CCC(CC=O)O[O] 	 InChI=1S/C5H9O3/c1-2-5(8-7)3-4-6/h4-5H,2-3H2,1H3 	 117.1232 
 C821OOH 	 OOC(CC(=O)C)C(=O)C(=O)C 	 InChI=1S/C7H10O5/c1-4(8)3-6(12-11)7(10)5(2)9/h6,11H,3H2,1-2H3 	 174.1513 
 C622OOH 	 OOCC(CO)C(=C)C 	 InChI=1S/C6H12O3/c1-5(2)6(3-7)4-9-8/h6-8H,1,3-4H2,2H3 	 132.1577 
 C4CO2O 	 O=CC([O])C(=O)C 	 InChI=1S/C4H5O3/c1-3(6)4(7)2-5/h2,4H,1H3 	 101.0807 
 C1210PAN 	 O=CCCC(=O)C1CC(C)(C)C1CCC(=O)OO[N+](=O)[O-] 	 InChI=1S/C13H19NO7/c1-13(2)8-9(11(16)4-3-7-15)10(13)5-6-12(17)20-21-14(18)19/h7,9-10H,3-6,8H2,1-2H3 	 301.2925 
 M22C3CHO 	 O=CCC(C)(C)C 	 InChI=1S/C6H12O/c1-6(2,3)4-5-7/h5H,4H2,1-3H3 	 100.1589 
 HO2C5O2 	 [O]OCCCC(C)O 	 InChI=1S/C5H11O3/c1-5(6)3-2-4-8-7/h5-6H,2-4H2,1H3 	 119.1390 
 C6NO3CO4OH 	 CCC(O)CC(=O)CON(=O)=O 	 InChI=1S/C6H11NO5/c1-2-5(8)3-6(9)4-12-7(10)11/h5,8H,2-4H2,1H3 	 177.1552 
 HO2C5OH 	 OCCCC(C)O 	 InChI=1S/C5H12O2/c1-5(7)3-2-4-6/h5-7H,2-4H2,1H3 	 104.1476 
 ECATEC1O 	 CCc1cccc(O)c1[O] 	 InChI=1S/C8H9O2/c1-2-6-4-3-5-7(9)8(6)10/h3-5,9H,2H2,1H3 	 137.1559 
 CHEXNO3 	 O=N(=O)OC1CCCCC1 	 InChI=1S/C6H11NO3/c8-7(9)10-6-4-2-1-3-5-6/h6H,1-5H2 	 145.1564 
 CO25C6O 	 CC(=O)CC([O])C(=O)C 	 InChI=1S/C6H9O3/c1-4(7)3-6(9)5(2)8/h6H,3H2,1-2H3 	 129.1339 
 C923OOH 	 OOCC(CCC(=O)C)C(=C)C 	 InChI=1S/C9H16O3/c1-7(2)9(6-12-11)5-4-8(3)10/h9,11H,1,4-6H2,2-3H3 	 172.2215 
 HEX2ONBOOH 	 CC(CCC(=O)C)OO 	 InChI=1S/C6H12O3/c1-5(7)3-4-6(2)9-8/h6,8H,3-4H2,1-2H3 	 132.1577 
 PEBOOH 	 CC(CCC)OO 	 InChI=1S/C5H12O2/c1-3-4-5(2)7-6/h5-6H,3-4H2,1-2H3 	 104.1476 
 PTLQO2 	 [O]OC1C(=O)C=C(C)C(=O)C1O 	 InChI=1S/C7H7O5/c1-3-2-4(8)7(12-11)6(10)5(3)9/h2,6-7,10H,1H3 	 171.1275 
 HO2CO4C5 	 CC(O)CC(=O)C 	 InChI=1S/C5H10O2/c1-4(6)3-5(2)7/h4,6H,3H2,1-2H3 	 102.1317 
 TM124OLOH 	 CC1=C(C)C(O)(O)C2(C)OOC1C2O 	 InChI=1S/C9H14O5/c1-4-5(2)9(11,12)8(3)7(10)6(4)13-14-8/h6-7,10-12H,1-3H3 	 202.2045 
 C137NO3 	 OC(=O)CCC1C(CC1(C)C)C(=C)CCO[N+](=O)[O-] 	 InChI=1S/C13H21NO5/c1-9(6-7-19-14(17)18)10-8-13(2,3)11(10)4-5-12(15)16/h10-11H,1,4-8H2,2-3H3,(H,15,16) 	 271.3095 
 CLETO3 	 [O]OC(=O)CCl 	 InChI=1S/C2H2ClO3/c3-1-2(4)6-5/h1H2 	 109.4885 
 HO1C6NO3 	 OCCCC(CC)ON(=O)=O 	 InChI=1S/C6H13NO4/c1-2-6(4-3-5-8)11-7(9)10/h6,8H,2-5H2,1H3 	 163.1717 
 C1011CO2H 	 CC(=O)CCC1C(CC1(C)C)C(=O)O 	 InChI=1S/C11H18O3/c1-7(12)4-5-9-8(10(13)14)6-11(9,2)3/h8-9H,4-6H2,1-3H3,(H,13,14) 	 198.2588 
 C924OH 	 OCC(CC(O)C(=O)C)C(=C)C 	 InChI=1S/C9H16O3/c1-6(2)8(5-10)4-9(12)7(3)11/h8-10,12H,1,4-5H2,2-3H3 	 172.2215 
 C830PAN 	 O=CCC1C(CC1(C)C)C(=O)OO[N+](=O)[O-] 	 InChI=1S/C9H13NO6/c1-9(2)5-6(7(9)3-4-11)8(12)15-16-10(13)14/h4,6-7H,3,5H2,1-2H3 	 231.2026 
 C920PAN 	 OCC(=O)C1CC(CC(=O)OON(=O)=O)C1(C)C 	 InChI=1S/C10H15NO7/c1-10(2)6(3-7(10)8(13)5-12)4-9(14)17-18-11(15)16/h6-7,12H,3-5H2,1-2H3 	 261.2286 
 NMBOBO 	 [O]CC(ON(=O)=O)C(C)(C)O 	 InChI=1S/C5H10NO5/c1-5(2,8)4(3-7)11-6(9)10/h4,8H,3H2,1-2H3 	 164.1366 
 PR2OHMOOOH 	 COC(OO)C(C)O 	 InChI=1S/C4H10O4/c1-3(5)4(7-2)8-6/h3-6H,1-2H3 	 122.1198 
 C53OH2OOH 	 CCC(O)C(C)OO 	 InChI=1S/C5H12O3/c1-3-5(6)4(2)8-7/h4-7H,3H2,1-2H3 	 120.1470 
 PROH2MOX 	 COC(O)C(C)O 	 InChI=1S/C4H10O3/c1-3(5)4(6)7-2/h3-6H,1-2H3 	 106.1204 
 C622O 	 [O]CC(CO)C(=C)C 	 InChI=1S/C6H11O2/c1-5(2)6(3-7)4-8/h6-7H,1,3-4H2,2H3 	 115.1503 
 APINAO 	 OC1CC2CC(C1(C)[O])C2(C)C 	 InChI=1S/C10H17O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-8,11H,4-5H2,1-3H3 	 169.2408 
 C924O2 	 OCC(CC(O[O])C(=O)C)C(=C)C 	 InChI=1S/C9H15O4/c1-6(2)8(5-10)4-9(13-12)7(3)11/h8-10H,1,4-5H2,2-3H3 	 187.2130 
 DMPHO2 	 [O]Oc1cc(C)cc(C)c1 	 InChI=1S/C8H9O2/c1-6-3-7(2)5-8(4-6)10-9/h3-5H,1-2H3 	 137.1559 
 C126OH 	 OCCC(=C)C1CC(C)(C)C1CC=O 	 InChI=1S/C12H20O2/c1-9(4-6-13)10-8-12(2,3)11(10)5-7-14/h7,10-11,13H,1,4-6,8H2,2-3H3 	 196.2860 
 IPRHOCO3H 	 OOC(=O)C(C)(C)O 	 InChI=1S/C4H8O4/c1-4(2,6)3(5)8-7/h6-7H,1-2H3 	 120.1039 
 DIEKBOOH 	 CCC(=O)CCOO 	 InChI=1S/C5H10O3/c1-2-5(6)3-4-8-7/h7H,2-4H2,1H3 	 118.1311 
 C619O2 	 [O]OC1CC(=O)CCC1=O 	 InChI=1S/C6H7O4/c7-4-1-2-5(8)6(3-4)10-9/h6H,1-3H2 	 143.1174 
 CL12PRCOH 	 OC(Cl)C(C)Cl 	 InChI=1S/C3H6Cl2O/c1-2(4)3(5)6/h2-3,6H,1H3 	 128.9851 
 PBZMUCO 	 CCCC(=O)C([O])C(O)C1OC1C=O 	 InChI=1S/C9H13O5/c1-2-3-5(11)7(12)8(13)9-6(4-10)14-9/h4,6-9,13H,2-3H2,1H3 	 201.1965 
 NOPINBO 	 O=C1CCC2C([O])C1C2(C)C 	 InChI=1S/C9H13O2/c1-9(2)5-3-4-6(10)7(9)8(5)11/h5,7-8H,3-4H2,1-2H3 	 153.1983 
 TM124BPAN 	 O=N(=O)OOC(=O)c1ccc(C)c(C)c1 	 InChI=1S/C9H9NO5/c1-6-3-4-8(5-7(6)2)9(11)14-15-10(12)13/h3-5H,1-2H3 	 211.1715 
 C817NO3 	 CC(=O)CCC(CO[N+](=O)[O-])C(=O)C 	 InChI=1S/C8H13NO5/c1-6(10)3-4-8(7(2)11)5-14-9(12)13/h8H,3-5H2,1-2H3 	 203.1925 
 SBUACCOH 	 CC(=O)OC(C)(O)C(=O)C 	 InChI=1S/C6H10O4/c1-4(7)6(3,9)10-5(2)8/h9H,1-3H3 	 146.1412 
 NONNO3 	 CCCCCCC(CC)ON(=O)=O 	 InChI=1S/C9H19NO3/c1-3-5-6-7-8-9(4-2)13-10(11)12/h9H,3-8H2,1-2H3 	 189.2521 
 C5DBECO3H 	 OOC(=O)C=C(CC)C(=O)C(=O)C 	 InChI=1S/C8H10O5/c1-3-6(4-7(10)13-12)8(11)5(2)9/h4,12H,3H2,1-2H3 	 186.1620 
 C64NO335CO 	 CCC(=O)C(ON(=O)=O)C(=O)C 	 InChI=1S/C6H9NO5/c1-3-5(9)6(4(2)8)12-7(10)11/h6H,3H2,1-2H3 	 175.1394 
 PTLQOOH 	 OOC1C(=O)C=C(C)C(=O)C1O 	 InChI=1S/C7H8O5/c1-3-2-4(8)7(12-11)6(10)5(3)9/h2,6-7,10-11H,1H3 	 172.1354 
 EMALANHYO2 	 CCC1(O[O])C(O)C(=O)OC1=O 	 InChI=1S/C6H7O6/c1-2-6(12-10)3(7)4(8)11-5(6)9/h3,7H,2H2,1H3 	 175.1162 
 HO3C116O 	 CCCCCC([O])CCC(O)CC 	 InChI=1S/C11H23O2/c1-3-5-6-7-11(13)9-8-10(12)4-2/h10-12H,3-9H2,1-2H3 	 187.2991 
 CL12PRCO2 	 CC(Cl)C(Cl)O[O] 	 InChI=1S/C3H5Cl2O2/c1-2(4)3(5)7-6/h2-3H,1H3 	 143.9766 
 C6CO2OHCO3 	 CC(=CC(=O)O[O])C(=O)C(O)C=O 	 InChI=1S/C7H7O6/c1-4(2-6(10)13-12)7(11)5(9)3-8/h2-3,5,9H,1H3 	 187.1269 
 C6M5CO2O 	 O=CC(C)([O])C=CC(=O)C 	 InChI=1S/C7H9O3/c1-6(9)3-4-7(2,10)5-8/h3-5H,1-2H3 	 141.1446 
 TM123BCO2H 	 OC(=O)c1cccc(C)c1C 	 InChI=1S/C9H10O2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H,10,11) 	 150.1745 
 HOACETEOOH 	 OOC(C)OC(=O)CO 	 InChI=1S/C4H8O5/c1-3(9-7)8-4(6)2-5/h3,5,7H,2H2,1H3 	 136.1033 
 C7ODLBCO3H 	 CCC(=O)C=C(CC)C(=O)OO 	 InChI=1S/C8H12O4/c1-3-6(8(10)12-11)5-7(9)4-2/h5,11H,3-4H2,1-2H3 	 172.1785 
 C83OOH 	 CCC(=O)C(=O)C(OO)C(=O)CC 	 InChI=1S/C8H12O5/c1-3-5(9)7(11)8(13-12)6(10)4-2/h8,12H,3-4H2,1-2H3 	 188.1779 
 C4MOHOPAN 	 O=N(=O)OOC(=O)C(O)C(=O)C(C)C 	 InChI=1S/C6H9NO7/c1-3(2)4(8)5(9)6(10)13-14-7(11)12/h3,5,9H,1-2H3 	 207.1382 
 M2PE 	 CCCC(C)C 	 InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3 	 86.1754 
 C51NO3 	 OCC(CC(=O)C)ON(=O)=O 	 InChI=1S/C5H9NO5/c1-4(8)2-5(3-7)11-6(9)10/h5,7H,2-3H2,1H3 	 163.1287 
 C628OOH 	 O=CCC(CO)(OO)C(=O)C 	 InChI=1S/C6H10O5/c1-5(9)6(4-8,11-10)2-3-7/h3,8,10H,2,4H2,1H3 	 162.1406 
 C628OOA 	 O=CCC(CO)C(=[O+][O-])C 	 InChI=1S/C6H10O4/c1-5(10-9)6(4-8)2-3-7/h3,6,8H,2,4H2,1H3 	 146.1412 
 EBENZOLO 	 CCC12OOC(C2O)C([O])(O)C=C1 	 InChI=1S/C8H11O5/c1-2-7-3-4-8(10,11)6(5(7)9)12-13-7/h3-6,9-10H,2H2,1H3 	 187.1699 
 CH3COCO2H 	 OC(=O)C(=O)C 	 InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6) 	 88.0621 
 C142OOH 	 OCCC(=C)C1(OO)CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H24O4/c1-10(7-8-15)14(18-17)9-13(3,4)12(14)6-5-11(2)16/h12,15,17H,1,5-9H2,2-4H3 	 256.3380 
 ENCATECO2 	 [O]OC1(O)C(=C(N(=O)=O)C2OOC1(CC)C2O)O 	 InChI=1S/C8H10NO9/c1-2-7-6(11)4(16-18-7)3(9(13)14)5(10)8(7,12)17-15/h4,6,10-12H,2H2,1H3 	 264.1663 
 C6CYTONOOH 	 OOC1C(=O)CC(=O)CC1=O 	 InChI=1S/C6H6O5/c7-3-1-4(8)6(11-10)5(9)2-3/h6,10H,1-2H2 	 158.1088 
 C6125CO 	 O=CC(=O)C=CC(=O)C 	 InChI=1S/C6H6O3/c1-5(8)2-3-6(9)4-7/h2-4H,1H3 	 126.1100 
 BZFUOH 	 OC1C(O)COC1=O 	 InChI=1S/C4H6O4/c5-2-1-8-4(7)3(2)6/h2-3,5-6H,1H2 	 118.0880 
 C513O 	 [O]C(C=O)C(=O)CCO 	 InChI=1S/C5H7O4/c6-2-1-4(8)5(9)3-7/h3,5-6H,1-2H2 	 131.1067 
 NC3CHO 	 O=CC=CCON(=O)=O 	 InChI=1S/C4H5NO4/c6-3-1-2-4-9-5(7)8/h1-3H,4H2 	 131.0868 
 PXYBIPENO3 	 O=N(=O)OC1(C)C=CC2(C)OOC1C2O 	 InChI=1S/C8H11NO6/c1-7-3-4-8(2,14-9(11)12)6(5(7)10)13-15-7/h3-6,10H,1-2H3 	 217.1760 
 BZFUO2 	 [O]OC1C(O)COC1=O 	 InChI=1S/C4H5O5/c5-2-1-8-4(6)3(2)9-7/h2-3,5H,1H2 	 133.0795 
 CH3CO3 	 CC(=O)O[O] 	 InChI=1S/C2H3O3/c1-2(3)5-4/h1H3 	 75.0434 
 DIEKBO2 	 CCC(=O)CCO[O] 	 InChI=1S/C5H9O3/c1-2-5(6)3-4-8-7/h2-4H2,1H3 	 117.1232 
 PMALANHYO2 	 CCCC1(O[O])C(=O)OC(=O)C1O 	 InChI=1S/C7H9O6/c1-2-3-7(13-11)4(8)5(9)12-6(7)10/h4,8H,2-3H2,1H3 	 189.1428 
 C813NO3 	 OCC(CC(=O)C(=O)O)C(C)(C)ON(=O)=O 	 InChI=1S/C8H13NO7/c1-8(2,16-9(14)15)5(4-10)3-6(11)7(12)13/h5,10H,3-4H2,1-2H3,(H,12,13) 	 235.1913 
 CO356C9 	 CCCC(=O)C(=O)CC(=O)CC 	 InChI=1S/C9H14O3/c1-3-5-8(11)9(12)6-7(10)4-2/h3-6H2,1-2H3 	 170.2057 
 ACETC2CO3H 	 OOC(=O)CCOC(=O)C 	 InChI=1S/C5H8O5/c1-4(6)9-3-2-5(7)10-8/h8H,2-3H2,1H3 	 148.1140 
 HO3CO6C7 	 CCC(O)CCC(=O)C 	 InChI=1S/C7H14O2/c1-3-7(9)5-4-6(2)8/h7,9H,3-5H2,1-2H3 	 130.1849 
 C1014OOH 	 O=CCC(C)(C)C(OO)CCC(=O)OC 	 InChI=1S/C10H18O5/c1-10(2,6-7-11)8(15-13)4-5-9(12)14-3/h7-8,13H,4-6H2,1-3H3 	 218.2469 
 TM124BNO3 	 O=N(=O)OCc1ccc(C)c(C)c1 	 InChI=1S/C9H11NO3/c1-7-3-4-9(5-8(7)2)6-13-10(11)12/h3-5H,6H2,1-2H3 	 181.1885 
 CHEX 	 C1CCCCC1 	 InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2 	 84.1595 
 HO3CO6C8 	 CCC(O)CCC(=O)CC 	 InChI=1S/C8H16O2/c1-3-7(9)5-6-8(10)4-2/h7,9H,3-6H2,1-2H3 	 144.2114 
 HOC2H4CO2H 	 OCCC(=O)O 	 InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6) 	 90.0779 
 C116O2 	 [O]OCCC(=O)C1CC(C)(C)C1CC=O 	 InChI=1S/C11H17O4/c1-11(2)7-8(9(11)3-5-12)10(13)4-6-15-14/h5,8-9H,3-4,6-7H2,1-2H3 	 213.2503 
 PE2ENEAO 	 CCC([O])C(C)O 	 InChI=1S/C5H11O2/c1-3-5(7)4(2)6/h4-6H,3H2,1-2H3 	 103.1396 
 BUTDCO2 	 OC(CO[O])C=C 	 InChI=1S/C4H7O3/c1-2-4(5)3-7-6/h2,4-5H,1,3H2 	 103.0966 
 C1013CO3H 	 COC(=O)CCC1C(CC1(C)C)C(=O)OO 	 InChI=1S/C11H18O5/c1-11(2)6-7(10(13)16-14)8(11)4-5-9(12)15-3/h7-8,14H,4-6H2,1-3H3 	 230.2576 
 C2CL2OHOOH 	 OOC(Cl)C(O)Cl 	 InChI=1S/C2H4Cl2O3/c3-1(5)2(4)7-6/h1-2,5-6H 	 146.9574 
 BZFUONOOA 	 [O-][O+]=CC(=O)OCC=O 	 InChI=1S/C4H4O5/c5-1-2-8-4(6)3-9-7/h1,3H,2H2 	 132.0716 
 C729OOH 	 OOCC(CC=O)C(=C)C 	 InChI=1S/C7H12O3/c1-6(2)7(3-4-8)5-10-9/h4,7,9H,1,3,5H2,2H3 	 144.1684 
 CCLNO3COOH 	 OOCC(Cl)ON(=O)=O 	 InChI=1S/C2H4ClNO5/c3-2(1-8-7)9-4(5)6/h2,7H,1H2 	 157.5099 
 PXYOLOOH 	 OOC1(O)C=C(C)C2OOC1(C)C2O 	 InChI=1S/C8H12O6/c1-4-3-8(10,13-11)7(2)6(9)5(4)12-14-7/h3,5-6,9-11H,1-2H3 	 204.1773 
 PR2OHMOXO2 	 COC(O[O])C(C)O 	 InChI=1S/C4H9O4/c1-3(5)4(7-2)8-6/h3-5H,1-2H3 	 121.1119 
 PXYL1OOH 	 OOc1ccc(C)cc1 	 InChI=1S/C7H8O2/c1-6-2-4-7(9-8)5-3-6/h2-5,8H,1H3 	 124.1372 
 HC4CCHO 	 CC(=CCO)C=O 	 InChI=1S/C5H8O2/c1-5(4-7)2-3-6/h2,4,6H,3H2,1H3 	 100.1158 
 MMFNO3 	 O=COC(OC)ON(=O)=O 	 InChI=1S/C3H5NO6/c1-8-3(9-2-5)10-4(6)7/h2-3H,1H3 	 151.0749 
 C718OOH 	 OOCCC(=O)C(C)(C)C=O 	 InChI=1S/C7H12O4/c1-7(2,5-8)6(9)3-4-11-10/h5,10H,3-4H2,1-2H3 	 160.1678 
 CHOOCH2O 	 [O]COC=O 	 InChI=1S/C2H3O3/c3-1-5-2-4/h1H,2H2 	 75.0434 
 C75O2 	 [O]OC(CC(=O)C)C(C)C 	 InChI=1S/C7H13O3/c1-5(2)7(10-9)4-6(3)8/h5,7H,4H2,1-3H3 	 145.1763 
 OTCTEC1OOH 	 CCc1c(C)ccc(O)c1OO 	 InChI=1S/C9H12O3/c1-3-7-6(2)4-5-8(10)9(7)12-11/h4-5,10-11H,3H2,1-2H3 	 168.1898 
 C1010O 	 O=CCCC(=C)C(=O)CC(C)(C)[O] 	 InChI=1S/C10H15O3/c1-8(5-4-6-11)9(12)7-10(2,3)13/h6H,1,4-5,7H2,2-3H3 	 183.2243 
 C5H11CO3H 	 CCCCCC(=O)OO 	 InChI=1S/C6H12O3/c1-2-3-4-5-6(7)9-8/h8H,2-5H2,1H3 	 132.1577 
 MXY1O 	 Cc1ccc([O])c(C)c1 	 InChI=1S/C8H9O/c1-6-3-4-8(9)7(2)5-6/h3-5H,1-2H3 	 121.1565 
 C116OH 	 OCCC(=O)C1CC(C)(C)C1CC=O 	 InChI=1S/C11H18O3/c1-11(2)7-8(9(11)3-5-12)10(14)4-6-13/h5,8-9,13H,3-4,6-7H2,1-2H3 	 198.2588 
 C54CO3 	 CC(CCC)C(=O)O[O] 	 InChI=1S/C6H11O3/c1-3-4-5(2)6(7)9-8/h5H,3-4H2,1-2H3 	 131.1497 
 C617CO3H 	 OOC(=O)CC(=O)C(C)(C)C=O 	 InChI=1S/C7H10O5/c1-7(2,4-8)5(9)3-6(10)12-11/h4,11H,3H2,1-2H3 	 174.1513 
 NIPBNZ1OOH 	 OOc1c(cccc1N(=O)=O)C(C)C 	 InChI=1S/C9H11NO4/c1-6(2)7-4-3-5-8(10(11)12)9(7)14-13/h3-6,13H,1-2H3 	 197.1879 
 C122OOH 	 CCCCCCCC(O)CC(=O)C(C)OO 	 InChI=1S/C12H24O4/c1-3-4-5-6-7-8-11(13)9-12(14)10(2)16-15/h10-11,13,15H,3-9H2,1-2H3 	 232.3166 
 TMB1FUO 	 O=C1OC(C)C(C)([O])C1O 	 InChI=1S/C6H9O4/c1-3-6(2,9)4(7)5(8)10-3/h3-4,7H,1-2H3 	 145.1333 
 HC4CCO3 	 OCC=C(C)C(=O)O[O] 	 InChI=1S/C5H7O4/c1-4(2-3-6)5(7)9-8/h2,6H,3H2,1H3 	 131.1067 
 HOACETETO 	 OCC(=O)OC(C)[O] 	 InChI=1S/C4H7O4/c1-3(6)8-4(7)2-5/h3,5H,2H2,1H3 	 119.0960 
 C622O2 	 [O]OCC(CO)C(=C)C 	 InChI=1S/C6H11O3/c1-5(2)6(3-7)4-9-8/h6-7H,1,3-4H2,2H3 	 131.1497 
 PHCOETO 	 O=C(C(C)[O])c1ccccc1 	 InChI=1S/C9H9O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,1H3 	 149.1666 
 C630O 	 OCCC(=C)C(=O)C[O] 	 InChI=1S/C6H9O3/c1-5(2-3-7)6(9)4-8/h7H,1-4H2 	 129.1339 
 BOXPROANO3 	 CCCC(OCC(=O)C)ON(=O)=O 	 InChI=1S/C7H13NO5/c1-3-4-7(13-8(10)11)12-5-6(2)9/h7H,3-5H2,1-2H3 	 191.1818 
 COHM2CO2H 	 O=CC(C)(O)C(=O)O 	 InChI=1S/C4H6O4/c1-4(8,2-5)3(6)7/h2,8H,1H3,(H,6,7) 	 118.0880 
 C816CO3 	 [O]OC(=O)C(CCC(=O)C)C(=C)C 	 InChI=1S/C9H13O4/c1-6(2)8(9(11)13-12)5-4-7(3)10/h8H,1,4-5H2,2-3H3 	 185.1971 
 M2PEAO2 	 CCCC(C)CO[O] 	 InChI=1S/C6H13O2/c1-3-4-6(2)5-8-7/h6H,3-5H2,1-2H3 	 117.1662 
 C6CO3MOH 	 O=CC(C)(O)C(=O)C(=O)C 	 InChI=1S/C6H8O4/c1-4(8)5(9)6(2,10)3-7/h3,10H,1-2H3 	 144.1253 
 M2PEAOH 	 CCCC(C)CO 	 InChI=1S/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3 	 102.1748 
 IPBNZOHNO2 	 CC(C)c1cccc(N(=O)=O)c1O 	 InChI=1S/C9H11NO3/c1-6(2)7-4-3-5-8(9(7)11)10(12)13/h3-6,11H,1-2H3 	 181.1885 
 C4CHOBO 	 CCC([O])CC=O 	 InChI=1S/C5H9O2/c1-2-5(7)3-4-6/h4-5H,2-3H2,1H3 	 101.1238 
 C41CO2H 	 CC(C(=O)C)C(=O)O 	 InChI=1S/C5H8O3/c1-3(4(2)6)5(7)8/h3H,1-2H3,(H,7,8) 	 116.1152 
 DMMAOOH 	 COCOCOO 	 InChI=1S/C3H8O4/c1-5-2-6-3-7-4/h4H,2-3H2,1H3 	 108.0932 
 TMB2FUONE 	 CC1OC(=O)C(=C1C)C 	 InChI=1S/C7H10O2/c1-4-5(2)7(8)9-6(4)3/h6H,1-3H3 	 126.1531 
 BCKBCO 	 O=C1CCC(=O)C(C)(O)CCC2C1CC2(C)C 	 InChI=1S/C14H22O3/c1-13(2)8-9-10(13)6-7-14(3,17)12(16)5-4-11(9)15/h9-10,17H,4-8H2,1-3H3 	 238.3227 
 C7EDCCO 	 CCC(=O)C(O)C(=O)C(=O)C 	 InChI=1S/C7H10O4/c1-3-5(9)7(11)6(10)4(2)8/h7,11H,3H2,1-2H3 	 158.1519 
 C123OOH 	 CCCCCCC(O)C(OO)CC(=O)CC 	 InChI=1S/C12H24O4/c1-3-5-6-7-8-11(14)12(16-15)9-10(13)4-2/h11-12,14-15H,3-9H2,1-2H3 	 232.3166 
 EPXKTMCO3 	 CC1(OC1C(=O)O[O])C(=O)C 	 InChI=1S/C6H7O5/c1-3(7)6(2)4(10-6)5(8)11-9/h4H,1-2H3 	 159.1168 
 ME2BUT2ENE 	 CC=C(C)C 	 InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3 	 70.1329 
 C132O2 	 OCCC(=O)C1(O[O])CC(C)(C)C1CCC(=O)C 	 InChI=1S/C13H21O5/c1-9(15)4-5-10-12(2,3)8-13(10,18-17)11(16)6-7-14/h10,14H,4-8H2,1-3H3 	 257.3028 
 C3DBPAN 	 CC=CC(=O)OON(=O)=O 	 InChI=1S/C4H5NO5/c1-2-3-4(6)9-10-5(7)8/h2-3H,1H3 	 147.0862 
 MIBK3COO 	 CC(=O)C(=O)C(C)(C)[O] 	 InChI=1S/C6H9O3/c1-4(7)5(8)6(2,3)9/h1-3H3 	 129.1339 
 HO2C4O 	 [O]CCC(C)O 	 InChI=1S/C4H9O2/c1-4(6)2-3-5/h4,6H,2-3H2,1H3 	 89.1131 
 MIBK3CO 	 CC(C)C(=O)C(=O)C 	 InChI=1S/C6H10O2/c1-4(2)6(8)5(3)7/h4H,1-3H3 	 114.1424 
 BUTALO2H 	 CC(CC=O)OO 	 InChI=1S/C4H8O3/c1-4(7-6)2-3-5/h3-4,6H,2H2,1H3 	 104.1045 
 C3DIOLO2 	 [O]OCC(O)CO 	 InChI=1S/C3H7O4/c4-1-3(5)2-7-6/h3-5H,1-2H2 	 107.0853 
 DMEBIPRO2 	 [O]OC1C(=CC2(CC)OOC1(C)C2O)C 	 InChI=1S/C10H15O5/c1-4-10-5-6(2)7(13-12)9(3,8(10)11)14-15-10/h5,7-8,11H,4H2,1-3H3 	 215.2231 
 TMBO 	 [O]Cc1cc(C)cc(C)c1 	 InChI=1S/C9H11O/c1-7-3-8(2)5-9(4-7)6-10/h3-5H,6H2,1-2H3 	 135.1830 
 C137CO3 	 [O]OC(=O)CCC(=C)C1CC(C)(C)C1CCC(=O)O 	 InChI=1S/C14H21O5/c1-9(4-7-13(17)19-18)10-8-14(2,3)11(10)5-6-12(15)16/h10-11H,1,4-8H2,2-3H3,(H,15,16) 	 269.3135 
 M33C3CO3H 	 OOC(=O)C(C)(C)CC 	 InChI=1S/C6H12O3/c1-4-6(2,3)5(7)9-8/h8H,4H2,1-3H3 	 132.1577 
 M2PEAOOH 	 CCCC(C)COO 	 InChI=1S/C6H14O2/c1-3-4-6(2)5-8-7/h6-7H,3-5H2,1-2H3 	 118.1742 
 C512PAN 	 O=CCC(=O)CCC(=O)OON(=O)=O 	 InChI=1S/C6H7NO7/c8-4-3-5(9)1-2-6(10)13-14-7(11)12/h4H,1-3H2 	 205.1223 
 C1313O 	 O=CCCC([O])(CO)C1CC(C)(C)C1CC=O 	 InChI=1S/C13H21O4/c1-12(2)8-11(10(12)4-7-15)13(17,9-16)5-3-6-14/h6-7,10-11,16H,3-5,8-9H2,1-2H3 	 241.3034 
 C132OH 	 OCCC(=O)C1(O)CC(C)(C)C1CCC(=O)C 	 InChI=1S/C13H22O4/c1-9(15)4-5-10-12(2,3)8-13(10,17)11(16)6-7-14/h10,14,17H,4-8H2,1-3H3 	 242.3114 
 NPROPOL 	 CCCO 	 InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3 	 60.0950 
 M2C43CO3H 	 OOC(=O)C(C)C(C)C 	 InChI=1S/C6H12O3/c1-4(2)5(3)6(7)9-8/h4-5,8H,1-3H3 	 132.1577 
 C517CHO 	 O=CCC(CO)C(=O)C 	 InChI=1S/C6H10O3/c1-5(9)6(4-8)2-3-7/h3,6,8H,2,4H2,1H3 	 130.1418 
 HO6C7O2 	 CCCCCC(O)CO[O] 	 InChI=1S/C7H15O3/c1-2-3-4-5-7(8)6-10-9/h7-8H,2-6H2,1H3 	 147.1922 
 NPXYQO 	 O=N(=O)OC1C(=O)C(=CC(=O)C1(C)[O])C 	 InChI=1S/C8H8NO6/c1-4-3-5(10)8(2,12)7(6(4)11)15-9(13)14/h3,7H,1-2H3 	 214.1522 
 C65NO3CO2H 	 CCCCC(ON(=O)=O)C(=O)O 	 InChI=1S/C6H11NO5/c1-2-3-4-5(6(8)9)12-7(10)11/h5H,2-4H2,1H3,(H,8,9) 	 177.1552 
 MCOCOMOX 	 COC(=O)C(=O)C 	 InChI=1S/C4H6O3/c1-3(5)4(6)7-2/h1-2H3 	 102.0886 
 C109CO 	 O=CCC1CC(C(=O)C=O)C1(C)C 	 InChI=1S/C10H14O3/c1-10(2)7(3-4-11)5-8(10)9(13)6-12/h4,6-8H,3,5H2,1-2H3 	 182.2164 
 C6CONO3OOH 	 OOC(C)CC(=O)C(C)ON(=O)=O 	 InChI=1S/C6H11NO6/c1-4(13-11)3-6(8)5(2)12-7(9)10/h4-5,11H,3H2,1-2H3 	 193.1546 
 METLMUCO 	 CC1(OC1C(O)C([O])C(=O)CC)C=O 	 InChI=1S/C9H13O5/c1-3-5(11)6(12)7(13)8-9(2,4-10)14-8/h4,6-8,13H,3H2,1-2H3 	 201.1965 
 CATEC1O2 	 [O]Oc1ccccc1O 	 InChI=1S/C6H5O3/c7-5-3-1-2-4-6(5)9-8/h1-4,7H 	 125.1021 
 ACCOCOC2H5 	 CCC(=O)C(=O)OC(=O)C 	 InChI=1S/C6H8O4/c1-3-5(8)6(9)10-4(2)7/h3H2,1-2H3 	 144.1253 
 C823CO 	 O=CC(CCC(=O)O)C(=C)C 	 InChI=1S/C8H12O3/c1-6(2)7(5-9)3-4-8(10)11/h5,7H,1,3-4H2,2H3,(H,10,11) 	 156.1791 
 C2H5NO3 	 CCON(=O)=O 	 InChI=1S/C2H5NO3/c1-2-6-3(4)5/h2H2,1H3 	 91.0660 
 C729CHO 	 O=CCC(CC=O)C(=C)C 	 InChI=1S/C8H12O2/c1-7(2)8(3-5-9)4-6-10/h5-6,8H,1,3-4H2,2H3 	 140.1797 
 C721O 	 OC(=O)C1CC([O])C1(C)C 	 InChI=1S/C7H11O3/c1-7(2)4(6(9)10)3-5(7)8/h4-5H,3H2,1-2H3,(H,9,10) 	 143.1604 
 HO2MC5O 	 [O]CC(C)CC(C)O 	 InChI=1S/C6H13O2/c1-5(4-7)3-6(2)8/h5-6,8H,3-4H2,1-2H3 	 117.1662 
 IPRGLYOX 	 O=CC(=O)C(C)C 	 InChI=1S/C5H8O2/c1-4(2)5(7)3-6/h3-4H,1-2H3 	 100.1158 
 CO24C6 	 CCC(=O)CC(=O)C 	 InChI=1S/C6H10O2/c1-3-6(8)4-5(2)7/h3-4H2,1-2H3 	 114.1424 
 CO24C5 	 CC(=O)CC(=O)C 	 InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3 	 100.1158 
 NOPINBNO3 	 O=N(=O)OC1C2CCC(=O)C1C2(C)C 	 InChI=1S/C9H13NO4/c1-9(2)5-3-4-6(11)7(9)8(5)14-10(12)13/h5,7-8H,3-4H2,1-2H3 	 199.2038 
 HO3C5O2 	 CCC(O)CCO[O] 	 InChI=1S/C5H11O3/c1-2-5(6)3-4-8-7/h5-6H,2-4H2,1H3 	 119.1390 
 NOXYOL1O 	 O=N(=O)c1ccc(C)c(C)c1[O] 	 InChI=1S/C8H8NO3/c1-5-3-4-7(9(11)12)8(10)6(5)2/h3-4H,1-2H3 	 166.1540 
 C7DDCPAN 	 CCC(=O)C=C(C)C(=O)OON(=O)=O 	 InChI=1S/C7H9NO6/c1-3-6(9)4-5(2)7(10)13-14-8(11)12/h4H,3H2,1-2H3 	 203.1495 
 IBUDIALPAN 	 O=CC(C)C(=O)OON(=O)=O 	 InChI=1S/C4H5NO6/c1-3(2-6)4(7)10-11-5(8)9/h2-3H,1H3 	 163.0856 
 M2HEXBO2 	 CCCCC(C)(C)O[O] 	 InChI=1S/C7H15O2/c1-4-5-6-7(2,3)9-8/h4-6H2,1-3H3 	 131.1928 
 H2M2C4CO3H 	 OOC(=O)CCC(C)(C)O 	 InChI=1S/C6H12O4/c1-6(2,8)4-3-5(7)10-9/h8-9H,3-4H2,1-2H3 	 148.1571 
 NBUTOLAO2 	 CCC(CO)O[O] 	 InChI=1S/C4H9O3/c1-2-4(3-5)7-6/h4-5H,2-3H2,1H3 	 105.1125 
 C4NO32M2O2 	 CCC(C)(O[O])CON(=O)=O 	 InChI=1S/C5H10NO5/c1-3-5(2,11-9)4-10-6(7)8/h3-4H2,1-2H3 	 164.1366 
 C916O 	 O=CCCC(=O)C(C=O)C(C)(C)[O] 	 InChI=1S/C9H13O4/c1-9(2,13)7(6-11)8(12)4-3-5-10/h5-7H,3-4H2,1-2H3 	 185.1971 
 INAHPCHO 	 OOC(C)(C=O)C(O)CON(=O)=O 	 InChI=1S/C5H9NO7/c1-5(3-7,13-11)4(8)2-12-6(9)10/h3-4,8,11H,2H2,1H3 	 195.1275 
 C137O 	 [O]CCC(=C)C1CC(C)(C)C1CCC(=O)O 	 InChI=1S/C13H21O3/c1-9(6-7-14)10-8-13(2,3)11(10)4-5-12(15)16/h10-11H,1,4-8H2,2-3H3,(H,15,16) 	 225.3040 
 C829O 	 OCCC(=O)C(=O)CC(C)(C)[O] 	 InChI=1S/C8H13O4/c1-8(2,12)5-7(11)6(10)3-4-9/h9H,3-5H2,1-2H3 	 173.1864 
 NBUTOLAOH 	 CCC(O)CO 	 InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3 	 90.1210 
 DDECOOH 	 CCCCCCCCCC(CC)OO 	 InChI=1S/C12H26O2/c1-3-5-6-7-8-9-10-11-12(4-2)14-13/h12-13H,3-11H2,1-2H3 	 202.3336 
 M2HEXBOH 	 CCCCC(C)(C)O 	 InChI=1S/C7H16O/c1-4-5-6-7(2,3)8/h8H,4-6H2,1-3H3 	 116.2013 
 MACROOH 	 OCC(C)(OO)C=O 	 InChI=1S/C4H8O4/c1-4(2-5,3-6)8-7/h2,6-7H,3H2,1H3 	 120.1039 
 C716O 	 O=CCC(=O)CC([O])C(=O)C 	 InChI=1S/C7H9O4/c1-5(9)7(11)4-6(10)2-3-8/h3,7H,2,4H2,1H3 	 157.1440 
 C111O 	 CCCCCCC([O])CC(=O)CC 	 InChI=1S/C11H21O2/c1-3-5-6-7-8-11(13)9-10(12)4-2/h11H,3-9H2,1-2H3 	 185.2832 
 TC4H9OOH 	 OOC(C)(C)C 	 InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3 	 90.1210 
 C4MDIAL 	 O=CC=C(C)C=O 	 InChI=1S/C5H6O2/c1-5(4-7)2-3-6/h2-4H,1H3 	 98.0999 
 PR1O2HNO3 	 OOCC(C)ON(=O)=O 	 InChI=1S/C3H7NO5/c1-3(2-8-7)9-4(5)6/h3,7H,2H2,1H3 	 137.0914 
 ETBEACO3 	 CCOC(C)(C)C(=O)O[O] 	 InChI=1S/C6H11O4/c1-4-9-6(2,3)5(7)10-8/h4H2,1-3H3 	 147.1491 
 PGLYOXOH 	 CCCC(=O)C(=O)O 	 InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2-3H2,1H3,(H,7,8) 	 116.1152 
 C4CHOBOOH 	 CCC(CC=O)OO 	 InChI=1S/C5H10O3/c1-2-5(8-7)3-4-6/h4-5,7H,2-3H2,1H3 	 118.1311 
 TLEMUCO2 	 [O]OC(C(=O)C)C(O)C1OC1C=O 	 InChI=1S/C7H9O6/c1-3(9)6(13-11)5(10)7-4(2-8)12-7/h2,4-7,10H,1H3 	 189.1428 
 PXYFUONE 	 O=C1OCC=C1C 	 InChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h2H,3H2,1H3 	 98.0999 
 PNCATECOOH 	 CCCC12OOC(C(=C(O)C2(O)OO)N(=O)=O)C1O 	 InChI=1S/C9H13NO9/c1-2-3-8-7(12)5(17-19-8)4(10(14)15)6(11)9(8,13)18-16/h5,7,11-13,16H,2-3H2,1H3 	 279.2008 
 BCKAO 	 O=C1CCC(O)C(C)([O])CCC2C1CC2(C)C 	 InChI=1S/C14H23O3/c1-13(2)8-9-10(13)6-7-14(3,17)12(16)5-4-11(9)15/h9-10,12,16H,4-8H2,1-3H3 	 239.3306 
 CO24C53O2 	 [O]OC(C(=O)C)C(=O)C 	 InChI=1S/C5H7O4/c1-3(6)5(9-8)4(2)7/h5H,1-2H3 	 131.1067 
 NDNPHENO2 	 [O]OC1(O)C(=CC2(OOC1C2ON(=O)=O)N(=O)=O)N(=O)=O 	 InChI=1S/C6H4N3O12/c10-6(20-17)2(7(11)12)1-5(8(13)14)3(18-9(15)16)4(6)19-21-5/h1,3-4,10H 	 310.1089 
 C5MEJPAN 	 O=CC(O)C(=O)C(=C(C)C(=O)OON(=O)=O)CC 	 InChI=1S/C9H11NO8/c1-3-6(8(13)7(12)4-11)5(2)9(14)17-18-10(15)16/h4,7,12H,3H2,1-2H3 	 261.1855 
 NDMEPHOLOH 	 CCC12OOC(C)(C=C(C)C2(O)O)C1ON(=O)=O 	 InChI=1S/C10H15NO7/c1-4-9-7(16-11(14)15)8(3,17-18-9)5-6(2)10(9,12)13/h5,7,12-13H,4H2,1-3H3 	 261.2286 
 NMETOLOOH 	 CCC12OOC(C)(C2ON(=O)=O)C(O)(OO)C=C1 	 InChI=1S/C9H13NO8/c1-3-8-4-5-9(11,16-14)7(2,17-18-8)6(8)15-10(12)13/h4-6,11,14H,3H2,1-2H3 	 263.2014 
 PTCATECOOA 	 CCC(=C/C=C(\C)/C(=O)O)C(=[O+][O-])O 	 InChI=1S/C9H12O5/c1-3-7(9(12)14-13)5-4-6(2)8(10)11/h4-5,12H,3H2,1-2H3,(H,10,11)/b6-4+,7-5? 	 200.1886 
 CO25C6CHO 	 O=CCC(=O)CCC(=O)C 	 InChI=1S/C7H10O3/c1-6(9)2-3-7(10)4-5-8/h5H,2-4H2,1H3 	 142.1525 
 C6DICARBO 	 CCC(=O)C([O])C(O)C=O 	 InChI=1S/C6H9O4/c1-2-4(8)6(10)5(9)3-7/h3,5-6,9H,2H2,1H3 	 145.1333 
 C43NO3CO2H 	 CCC(C)(ON(=O)=O)C(=O)O 	 InChI=1S/C5H9NO5/c1-3-5(2,4(7)8)11-6(9)10/h3H2,1-2H3,(H,7,8) 	 163.1287 
 HM33C3NO3 	 OCCC(C)(C)ON(=O)=O 	 InChI=1S/C5H11NO4/c1-5(2,3-4-7)10-6(8)9/h7H,3-4H2,1-2H3 	 149.1451 
 NDMEPHOLO2 	 CCC12OOC(C)(C=C(C)C2(O)O[O])C1ON(=O)=O 	 InChI=1S/C10H14NO8/c1-4-9-7(16-11(13)14)8(3,18-19-9)5-6(2)10(9,12)17-15/h5,7,12H,4H2,1-3H3 	 276.2201 
 TLEMUCOH 	 O=CC1OC1C(O)C(O)C(=O)C 	 InChI=1S/C7H10O5/c1-3(9)5(10)6(11)7-4(2-8)12-7/h2,4-7,10-11H,1H3 	 174.1513 
 C7DDICARB 	 CCC(=O)C=C(C)C=O 	 InChI=1S/C7H10O2/c1-3-7(9)4-6(2)5-8/h4-5H,3H2,1-2H3 	 126.1531 
 IPBZOBPROH 	 O=C1C=CC2(OOC1C2O)C(C)C 	 InChI=1S/C9H12O4/c1-5(2)9-4-3-6(10)7(8(9)11)12-13-9/h3-5,7-8,11H,1-2H3 	 184.1892 
 MOCOCH2O 	 COC(=O)C[O] 	 InChI=1S/C3H5O3/c1-6-3(5)2-4/h2H2,1H3 	 89.0700 
 HEXANO3 	 CCCCCCON(=O)=O 	 InChI=1S/C6H13NO3/c1-2-3-4-5-6-10-7(8)9/h2-6H2,1H3 	 147.1723 
 C614CO 	 OCC(=O)CC(=O)C(=O)C 	 InChI=1S/C6H8O4/c1-4(8)6(10)2-5(9)3-7/h7H,2-3H2,1H3 	 144.1253 
 NC11H24 	 CCCCCCCCCCC 	 InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3 	 156.3083 
 C625OH 	 OCCC(=O)C(C)(O)CO 	 InChI=1S/C6H12O4/c1-6(10,4-8)5(9)2-3-7/h7-8,10H,2-4H2,1H3 	 148.1571 
 TM124OLO 	 CC1=C(C)C([O])(O)C2(C)OOC1C2O 	 InChI=1S/C9H13O5/c1-4-5(2)9(11,12)8(3)7(10)6(4)13-14-8/h6-7,10-11H,1-3H3 	 201.1965 
 IPRFORMO 	 O=COC(C)(C)[O] 	 InChI=1S/C4H7O3/c1-4(2,6)7-3-5/h3H,1-2H3 	 103.0966 
 ETHACET 	 CCOC(=O)C 	 InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3 	 88.1051 
 DICLETOH 	 ClCC(O)Cl 	 InChI=1S/C2H4Cl2O/c3-1-2(4)5/h2,5H,1H2 	 114.9586 
 M33C3CO3 	 [O]OC(=O)C(C)(C)CC 	 InChI=1S/C6H11O3/c1-4-6(2,3)5(7)9-8/h4H2,1-3H3 	 131.1497 
 ENNCATECO2 	 CCC12OOC(C(=C(O)C2(O)O[O])N(=O)=O)C1ON(=O)=O 	 InChI=1S/C8H9N2O11/c1-2-7-6(18-10(15)16)4(19-21-7)3(9(13)14)5(11)8(7,12)20-17/h4,6,11-12H,2H2,1H3 	 309.1639 
 DICLETO2 	 [O]OC(Cl)CCl 	 InChI=1S/C2H3Cl2O2/c3-1-2(4)6-5/h2H,1H2 	 129.9500 
 M2BKANO3 	 O=N(=O)OC(C)C(C)C(=O)C 	 InChI=1S/C6H11NO4/c1-4(5(2)8)6(3)11-7(9)10/h4,6H,1-3H3 	 161.1558 
 IPNCATCOOH 	 OOC1(O)C(=C(N(=O)=O)C2OOC1(C(C)C)C2O)O 	 InChI=1S/C9H13NO9/c1-3(2)8-7(12)5(17-19-8)4(10(14)15)6(11)9(8,13)18-16/h3,5,7,11-13,16H,1-2H3 	 279.2008 
 INAHPCO2H 	 OOC(C)(C(=O)O)C(O)CON(=O)=O 	 InChI=1S/C5H9NO8/c1-5(14-12,4(8)9)3(7)2-13-6(10)11/h3,7,12H,2H2,1H3,(H,8,9) 	 211.1269 
 NDNPBNZLO 	 CCCC12OOC(C=C(N(=O)=O)C2([O])O)(N(=O)=O)C1ON(=O)=O 	 InChI=1S/C9H10N3O11/c1-2-3-7-6(21-12(19)20)8(11(17)18,23-22-7)4-5(10(15)16)9(7,13)14/h4,6,13H,2-3H2,1H3 	 336.1892 
 TM124QONE 	 O=C1C=C(C)C(=O)C(=C1C)C 	 InChI=1S/C9H10O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4H,1-3H3 	 150.1745 
 C625O2 	 OCCC(=O)C(C)(CO)O[O] 	 InChI=1S/C6H11O5/c1-6(4-8,11-10)5(9)2-3-7/h7-8H,2-4H2,1H3 	 163.1485 
 C811OOH 	 OOCC1CC(C(=O)O)C1(C)C 	 InChI=1S/C8H14O4/c1-8(2)5(4-12-11)3-6(8)7(9)10/h5-6,11H,3-4H2,1-2H3,(H,9,10) 	 174.1944 
 C622PAN 	 [O-][N+](=O)OOC(=O)CC(CO)C(=C)C 	 InChI=1S/C7H11NO6/c1-5(2)6(4-9)3-7(10)13-14-8(11)12/h6,9H,1,3-4H2,2H3 	 205.1653 
 C826CO3O 	 CCC(=O)C=CC([O])C(=O)C 	 InChI=1S/C8H11O3/c1-3-7(10)4-5-8(11)6(2)9/h4-5,8H,3H2,1-2H3 	 155.1711 
 M3PE 	 CCC(C)CC 	 InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3 	 86.1754 
 CH3CCH3OOC 	 [O-][O+]=C(C)C 	 InChI=1S/C3H6O2/c1-3(2)5-4/h1-2H3 	 74.0785 
 CH3CCH3OOB 	 [O-][O+]=C(C)C 	 InChI=1S/C3H6O2/c1-3(2)5-4/h1-2H3 	 74.0785 
 M2HEXANO3 	 CC(C)CCC(C)ON(=O)=O 	 InChI=1S/C7H15NO3/c1-6(2)4-5-7(3)11-8(9)10/h6-7H,4-5H2,1-3H3 	 161.1989 
 CH2CLCOOH 	 OOCCCl 	 InChI=1S/C2H5ClO2/c3-1-2-5-4/h4H,1-2H2 	 96.5129 
 BCLKAOOH 	 O=CCCC(=O)C1CC(C)(C)C1CC(OO)C(=O)C 	 InChI=1S/C14H22O5/c1-9(16)13(19-18)7-11-10(8-14(11,2)3)12(17)5-4-6-15/h6,10-11,13,18H,4-5,7-8H2,1-3H3 	 270.3215 
 HO3C86O2 	 CCC(O)CCC(CC)O[O] 	 InChI=1S/C8H17O3/c1-3-7(9)5-6-8(4-2)11-10/h7-9H,3-6H2,1-2H3 	 161.2188 
 TM123OLOOH 	 OOC1(O)C2OOC(C)(C2O)C(=C1C)C 	 InChI=1S/C9H14O6/c1-4-5(2)9(11,14-12)7-6(10)8(4,3)15-13-7/h6-7,10-12H,1-3H3 	 218.2039 
 C6H13CHO 	 CCCCCCC=O 	 InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3 	 114.1855 
 C41O 	 OCC([O])C(O)C=O 	 InChI=1S/C4H7O4/c5-1-3(7)4(8)2-6/h1,3-4,6-7H,2H2 	 119.0960 
 CHOMOHCO3H 	 CC(O)(C=O)C(=O)OO 	 InChI=1S/C4H6O5/c1-4(7,2-5)3(6)9-8/h2,7-8H,1H3 	 134.0874 
 T123CT1OOH 	 OOc1c(O)cc(C)c(C)c1C 	 InChI=1S/C9H12O3/c1-5-4-8(10)9(12-11)7(3)6(5)2/h4,10-11H,1-3H3 	 168.1898 
 MXYQONE 	 O=C1C=C(C)C(=O)C(=C1)C 	 InChI=1S/C8H8O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3 	 136.1479 
 OETLQOH 	 CCC1=C(C)C(=O)C(O)C(O)C1=O 	 InChI=1S/C9H12O4/c1-3-5-4(2)6(10)8(12)9(13)7(5)11/h8-9,12-13H,3H2,1-2H3 	 184.1892 
 C3H7CO3 	 CCCC(=O)O[O] 	 InChI=1S/C4H7O3/c1-2-3-4(5)7-6/h2-3H2,1H3 	 103.0966 
 ME2BUOLOOH 	 OOC(C)(C)C(C)O 	 InChI=1S/C5H12O3/c1-4(6)5(2,3)8-7/h4,6-7H,1-3H3 	 120.1470 
 OETLQO2 	 [O]OC1C(O)C(=O)C(=C(C)C1=O)CC 	 InChI=1S/C9H11O5/c1-3-5-4(2)6(10)9(14-13)8(12)7(5)11/h8-9,12H,3H2,1-2H3 	 199.1806 
 INANCO2H 	 O=N(=O)OCC(O)C(C)(ON(=O)=O)C(=O)O 	 InChI=1S/C5H8N2O9/c1-5(4(9)10,16-7(13)14)3(8)2-15-6(11)12/h3,8H,2H2,1H3,(H,9,10) 	 240.1250 
 CO24M3C5OH 	 CC(C(=O)CO)C(=O)C 	 InChI=1S/C6H10O3/c1-4(5(2)8)6(9)3-7/h4,7H,3H2,1-2H3 	 130.1418 
 HO6CO9C11 	 CCCCCC(O)CCC(=O)CC 	 InChI=1S/C11H22O2/c1-3-5-6-7-11(13)9-8-10(12)4-2/h11,13H,3-9H2,1-2H3 	 186.2912 
 MBOCOCO 	 O=CC(=O)C(C)(C)O 	 InChI=1S/C5H8O3/c1-5(2,8)4(7)3-6/h3,8H,1-2H3 	 116.1152 
 IPRMEETO 	 COC(C)(C)[O] 	 InChI=1S/C4H9O2/c1-4(2,5)6-3/h1-3H3 	 89.1131 
 ME3BUOLO 	 OCC([O])C(C)C 	 InChI=1S/C5H11O2/c1-4(2)5(7)3-6/h4-6H,3H2,1-2H3 	 103.1396 
 ISOPDOH 	 CC(=C)C(O)CO 	 InChI=1S/C5H10O2/c1-4(2)5(7)3-6/h5-7H,1,3H2,2H3 	 102.1317 
 HO2M2C4OH 	 OCCC(C)(C)O 	 InChI=1S/C5H12O2/c1-5(2,7)3-4-6/h6-7H,3-4H2,1-2H3 	 104.1476 
 EOX2MECO3 	 CCOCC(=O)O[O] 	 InChI=1S/C4H7O4/c1-2-7-3-4(5)8-6/h2-3H2,1H3 	 119.0960 
 PECNO3 	 CCC(CC)ON(=O)=O 	 InChI=1S/C5H11NO3/c1-3-5(4-2)9-6(7)8/h5H,3-4H2,1-2H3 	 133.1457 
 C1212OOH 	 OCCC(=O)C1(OO)CC(C)(C)C1CCC(=O)O 	 InChI=1S/C12H20O6/c1-11(2)7-12(18-17,9(14)5-6-13)8(11)3-4-10(15)16/h8,13,17H,3-7H2,1-2H3,(H,15,16) 	 260.2836 
 C4PAN1 	 OCCCC(=O)OON(=O)=O 	 InChI=1S/C4H7NO6/c6-3-1-2-4(7)10-11-5(8)9/h6H,1-3H2 	 165.1015 
 C4PAN2 	 OCCC(O)C(=O)OON(=O)=O 	 InChI=1S/C4H7NO7/c6-2-1-3(7)4(8)11-12-5(9)10/h3,6-7H,1-2H2 	 181.1009 
 C4PAN3 	 CC(O)CC(=O)OON(=O)=O 	 InChI=1S/C4H7NO6/c1-3(6)2-4(7)10-11-5(8)9/h3,6H,2H2,1H3 	 165.1015 
 C4PAN4 	 OCC(C)C(=O)OON(=O)=O 	 InChI=1S/C4H7NO6/c1-3(2-6)4(7)10-11-5(8)9/h3,6H,2H2,1H3 	 165.1015 
 C4PAN5 	 O=N(=O)OOC(=O)C(C)(C)O 	 InChI=1S/C4H7NO6/c1-4(2,7)3(6)10-11-5(8)9/h7H,1-2H3 	 165.1015 
 C4PAN6 	 O=N(=O)OOC(=O)C(O)C(=O)C 	 InChI=1S/C4H5NO7/c1-2(6)3(7)4(8)11-12-5(9)10/h3,7H,1H3 	 179.0850 
 C4PAN7 	 OCC=CC(=O)OON(=O)=O 	 InChI=1S/C4H5NO6/c6-3-1-2-4(7)10-11-5(8)9/h1-2,6H,3H2 	 163.0856 
 C4PAN8 	 C=CC(O)C(=O)OON(=O)=O 	 InChI=1S/C4H5NO6/c1-2-3(6)4(7)10-11-5(8)9/h2-3,6H,1H2 	 163.0856 
 C4PAN9 	 O=N(=O)OCC=CC(=O)OON(=O)=O 	 InChI=1S/C4H4N2O8/c7-4(13-14-6(10)11)2-1-3-12-5(8)9/h1-2H,3H2 	 208.0832 
 C914OH 	 O=CC1C(=O)CC(=O)C(O)C1(C)C 	 InChI=1S/C9H12O4/c1-9(2)5(4-10)6(11)3-7(12)8(9)13/h4-5,8,13H,3H2,1-2H3 	 184.1892 
 ETOC2NO3 	 CCOCCON(=O)=O 	 InChI=1S/C4H9NO4/c1-2-8-3-4-9-5(6)7/h2-4H2,1H3 	 135.1186 
 HO2M2C5OOH 	 OOCCCC(C)(C)O 	 InChI=1S/C6H14O3/c1-6(2,7)4-3-5-9-8/h7-8H,3-5H2,1-2H3 	 134.1736 
 EIPKAOOH 	 CCC(=O)C(C)(C)OO 	 InChI=1S/C6H12O3/c1-4-5(7)6(2,3)9-8/h8H,4H2,1-3H3 	 132.1577 
 C512O2 	 [O]OCCC(=O)CC=O 	 InChI=1S/C5H7O4/c6-3-1-5(7)2-4-9-8/h3H,1-2,4H2 	 131.1067 
 PROPALOOH 	 CC(OO)C=O 	 InChI=1S/C3H6O3/c1-3(2-4)6-5/h2-3,5H,1H3 	 90.0779 
 C511O 	 O=CCC([O])C(=O)C 	 InChI=1S/C5H7O3/c1-4(7)5(8)2-3-6/h3,5H,2H2,1H3 	 115.1073 
 C1310OH 	 OCCC(=C)C(=O)CC(C)(C)C(O)CCC(=O)O 	 InChI=1S/C13H22O5/c1-9(6-7-14)10(15)8-13(2,3)11(16)4-5-12(17)18/h11,14,16H,1,4-8H2,2-3H3,(H,17,18) 	 258.3108 
 CHOC3COO 	 [O]CC(=O)CC=O 	 InChI=1S/C4H5O3/c5-2-1-4(7)3-6/h2H,1,3H2 	 101.0807 
 HMGLOOA 	 [O-][O+]=CC(=O)CO 	 InChI=1S/C3H4O4/c4-1-3(5)2-7-6/h2,4H,1H2 	 104.0615 
 C817O 	 [O]CC(CCC(=O)C)C(=O)C 	 InChI=1S/C8H13O3/c1-6(10)3-4-8(5-9)7(2)11/h8H,3-5H2,1-2H3 	 157.1870 
 C713O2 	 [O]OC(C)(CC(=O)C)C(=O)C 	 InChI=1S/C7H11O4/c1-5(8)4-7(3,11-10)6(2)9/h4H2,1-3H3 	 159.1598 
 INB1NBCO2H 	 OCC(ON(=O)=O)C(C)(ON(=O)=O)C(=O)O 	 InChI=1S/C5H8N2O9/c1-5(4(9)10,16-7(13)14)3(2-8)15-6(11)12/h3,8H,2H2,1H3,(H,9,10) 	 240.1250 
 MXYFUO 	 CC1OC(=O)C(C)([O])C1O 	 InChI=1S/C6H9O4/c1-3-4(7)6(2,9)5(8)10-3/h3-4,7H,1-2H3 	 145.1333 
 HO3C5O 	 [O]CCC(O)CC 	 InChI=1S/C5H11O2/c1-2-5(7)3-4-6/h5,7H,2-4H2,1H3 	 103.1396 
 C2CL3HOOOH 	 OOC(Cl)C(O)(Cl)Cl 	 InChI=1S/C2H3Cl3O3/c3-1(8-7)2(4,5)6/h1,6-7H 	 181.4024 
 NOPINAOOH 	 OOC1CC(=O)C2CC1C2(C)C 	 InChI=1S/C9H14O3/c1-9(2)5-3-6(9)8(12-11)4-7(5)10/h5-6,8,11H,3-4H2,1-2H3 	 170.2057 
 CO23C65O2 	 CC(CC(=O)C(=O)C)O[O] 	 InChI=1S/C6H9O4/c1-4(10-9)3-6(8)5(2)7/h4H,3H2,1-2H3 	 145.1333 
 C5COO2NO2 	 O=N(=O)OOC(=O)C=CC(=O)C 	 InChI=1S/C5H5NO6/c1-4(7)2-3-5(8)11-12-6(9)10/h2-3H,1H3 	 175.0963 
 C914O2 	 [O]OC1C(=O)CC(=O)C(C=O)C1(C)C 	 InChI=1S/C9H11O5/c1-9(2)5(4-10)6(11)3-7(12)8(9)14-13/h4-5,8H,3H2,1-2H3 	 199.1806 
 C1214O 	 O=CCCC(=O)C1([O])CC(C)(C)C1CCO 	 InChI=1S/C12H19O4/c1-11(2)8-12(16,9(11)5-7-14)10(15)4-3-6-13/h6,9,14H,3-5,7-8H2,1-2H3 	 227.2769 
 NAPINAO2 	 [O]OC1(C)C(ON(=O)=O)CC2CC1C2(C)C 	 InChI=1S/C10H16NO5/c1-9(2)6-4-7(9)10(3,16-14)8(5-6)15-11(12)13/h6-8H,4-5H2,1-3H3 	 230.2377 
 C921OOH 	 OCC(=O)C1(OO)CC(CO)C1(C)C 	 InChI=1S/C9H16O5/c1-8(2)6(4-10)3-9(8,14-13)7(12)5-11/h6,10-11,13H,3-5H2,1-2H3 	 204.2203 
 BCLKBO 	 O=CCCC(=O)C1CC(C)(C)C1CCC(=O)C[O] 	 InChI=1S/C14H21O4/c1-14(2)8-11(13(18)4-3-7-15)12(14)6-5-10(17)9-16/h7,11-12H,3-6,8-9H2,1-2H3 	 253.3141 
 CO356OCOOH 	 CC(OO)C(=O)OC(=O)C(=O)C 	 InChI=1S/C6H8O6/c1-3(7)5(8)11-6(9)4(2)12-10/h4,10H,1-2H3 	 176.1241 
 C61OH 	 CC(=O)CC(O)C(C)O 	 InChI=1S/C6H12O3/c1-4(7)3-6(9)5(2)8/h5-6,8-9H,3H2,1-2H3 	 132.1577 
 C734OOH 	 OCC(CC(OO)C(=O)O)C(=O)C 	 InChI=1S/C7H12O6/c1-4(9)5(3-8)2-6(13-12)7(10)11/h5-6,8,12H,2-3H2,1H3,(H,10,11) 	 192.1666 
 MMALANHYO2 	 CC1(O[O])C(O)C(=O)OC1=O 	 InChI=1S/C5H5O6/c1-5(11-9)2(6)3(7)10-4(5)8/h2,6H,1H3 	 161.0896 
 NORLIMO2 	 O=CC(CCC(=O)C)C(C)(CO)O[O] 	 InChI=1S/C9H15O5/c1-7(12)3-4-8(5-10)9(2,6-11)14-13/h5,8,11H,3-4,6H2,1-2H3 	 203.2124 
 C6H5C2CO2H 	 OC(=O)Cc1ccccc1 	 InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) 	 136.1479 
 HO2M2C5O 	 [O]CCCC(C)(C)O 	 InChI=1S/C6H13O2/c1-6(2,8)4-3-5-7/h8H,3-5H2,1-2H3 	 117.1662 
 C614CO23OH 	 CCC(=O)C(O)C(O)C=O 	 InChI=1S/C6H10O4/c1-2-4(8)6(10)5(9)3-7/h3,5-6,9-10H,2H2,1H3 	 146.1412 
 NTM124QO2 	 [O]OC1(C)C(ON(=O)=O)C(=O)C(=C(C)C1=O)C 	 InChI=1S/C9H10NO7/c1-4-5(2)7(12)9(3,17-15)8(6(4)11)16-10(13)14/h8H,1-3H3 	 244.1782 
 C63NO32O2 	 CCCC(ON(=O)=O)C(C)O[O] 	 InChI=1S/C6H12NO5/c1-3-4-6(5(2)12-10)11-7(8)9/h5-6H,3-4H2,1-2H3 	 178.1632 
 PRONO3AO2 	 [O]OCC(C)ON(=O)=O 	 InChI=1S/C3H6NO5/c1-3(2-8-7)9-4(5)6/h3H,2H2,1H3 	 136.0834 
 C10PAN1 	 CCCCCCCC(O)CC(=O)OON(=O)=O 	 InChI=1S/C10H19NO6/c1-2-3-4-5-6-7-9(12)8-10(13)16-17-11(14)15/h9,12H,2-8H2,1H3 	 249.2610 
 C10PAN2 	 O=N(=O)OOC(=O)CC1CC(C(=O)C)C1(C)C 	 InChI=1S/C10H15NO6/c1-6(12)8-4-7(10(8,2)3)5-9(13)16-17-11(14)15/h7-8H,4-5H2,1-3H3 	 245.2292 
 C23O3MO 	 CC([O])OC(=O)C(=O)C 	 InChI=1S/C5H7O4/c1-3(6)5(8)9-4(2)7/h4H,1-2H3 	 131.1067 
 PEBO 	 CCCC(C)[O] 	 InChI=1S/C5H11O/c1-3-4-5(2)6/h5H,3-4H2,1-2H3 	 87.1402 
 H13C43CHO 	 CC(O)(CCO)C=O 	 InChI=1S/C5H10O3/c1-5(8,4-7)2-3-6/h4,6,8H,2-3H2,1H3 	 118.1311 
 ACPRONEOOH 	 OOC(OC(=O)C)C(=O)C 	 InChI=1S/C5H8O5/c1-3(6)5(10-8)9-4(2)7/h5,8H,1-2H3 	 148.1140 
 C3DIALO 	 O=CC([O])C=O 	 InChI=1S/C3H3O3/c4-1-3(6)2-5/h1-3H 	 87.0541 
 TLBIPERNO3 	 O=N(=O)OC1C=CC2(C)OOC1C2O 	 InChI=1S/C7H9NO6/c1-7-3-2-4(12-8(10)11)5(6(7)9)13-14-7/h2-6,9H,1H3 	 203.1495 
 MCOCOMOXO 	 CC(=O)C(=O)OC[O] 	 InChI=1S/C4H5O4/c1-3(6)4(7)8-2-5/h2H2,1H3 	 117.0801 
 C61O2 	 [O]OC(CC(=O)C)C(C)O 	 InChI=1S/C6H11O4/c1-4(7)3-6(10-9)5(2)8/h5-6,8H,3H2,1-2H3 	 147.1491 
 CYHXDIOLA 	 OC1CCCCC1O 	 InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2 	 116.1583 
 ETOMEPAN 	 CCOCC(=O)OON(=O)=O 	 InChI=1S/C4H7NO6/c1-2-9-3-4(6)10-11-5(7)8/h2-3H2,1H3 	 165.1015 
 HEX3ONBO2 	 CCC(=O)C(CC)O[O] 	 InChI=1S/C6H11O3/c1-3-5(7)6(4-2)9-8/h6H,3-4H2,1-2H3 	 131.1497 
 TMB1FUOH 	 O=C1OC(C)C(C)(O)C1O 	 InChI=1S/C6H10O4/c1-3-6(2,9)4(7)5(8)10-3/h3-4,7,9H,1-2H3 	 146.1412 
 HO5C5CO3 	 CCCCC(O)C(=O)O[O] 	 InChI=1S/C6H11O4/c1-2-3-4-5(7)6(8)10-9/h5,7H,2-4H2,1H3 	 147.1491 
 CO25C73O2 	 [O]OC(CC(=O)CC)C(=O)C 	 InChI=1S/C7H11O4/c1-3-6(9)4-7(11-10)5(2)8/h7H,3-4H2,1-2H3 	 159.1598 
 MXYMUCNO3 	 O=CC1(C)OC1C(O)C(ON(=O)=O)C(=O)C 	 InChI=1S/C8H11NO7/c1-4(11)6(16-9(13)14)5(12)7-8(2,3-10)15-7/h3,5-7,12H,1-2H3 	 233.1754 
 C630OOH 	 OCCC(=C)C(=O)COO 	 InChI=1S/C6H10O4/c1-5(2-3-7)6(8)4-10-9/h7,9H,1-4H2 	 146.1412 
 HO3C3CHO 	 CCC(O)C=O 	 InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3 	 88.1051 
 CH3SO2O2 	 [O]OS(=O)(=O)C 	 InChI=1S/CH3O4S/c1-6(3,4)5-2/h1H3 	 111.0971 
 NNCATECOOH 	 OOC1(O)C(=CC2(OOC1C2ON(=O)=O)N(=O)=O)O 	 InChI=1S/C6H6N2O11/c9-2-1-5(7(11)12)3(16-8(13)14)4(17-19-5)6(2,10)18-15/h1,3-4,9-10,15H 	 282.1186 
 METLPOXMUC 	 CC1(OC1C=CC(=O)CC)C=O 	 InChI=1S/C9H12O3/c1-3-7(11)4-5-8-9(2,6-10)12-8/h4-6,8H,3H2,1-2H3 	 168.1898 
 HO1C3OOH 	 OCCCOO 	 InChI=1S/C3H8O3/c4-2-1-3-6-5/h4-5H,1-3H2 	 92.0938 
 C818CO 	 OCC(CC(=O)C(=O)C)C(=O)C 	 InChI=1S/C8H12O4/c1-5(10)7(4-9)3-8(12)6(2)11/h7,9H,3-4H2,1-2H3 	 172.1785 
 MXNNCATOOH 	 OOC1(O)C(=C(N(=O)=O)C2(C)OOC1(C)C2ON(=O)=O)O 	 InChI=1S/C8H10N2O11/c1-6-3(9(13)14)4(11)8(12,19-17)7(2,21-20-6)5(6)18-10(15)16/h5,11-12,17H,1-2H3 	 310.1718 
 C1310OOH 	 OCCC(=C)C(=O)CC(C)(C)C(OO)CCC(=O)O 	 InChI=1S/C13H22O6/c1-9(6-7-14)10(15)8-13(2,3)11(19-18)4-5-12(16)17/h11,14,18H,1,4-8H2,2-3H3,(H,16,17) 	 274.3102 
 EBFUONE 	 CCC1OC(=O)C=C1 	 InChI=1S/C6H8O2/c1-2-5-3-4-6(7)8-5/h3-5H,2H2,1H3 	 112.1265 
 TM123BCHO 	 O=Cc1cccc(C)c1C 	 InChI=1S/C9H10O/c1-7-4-3-5-9(6-10)8(7)2/h3-6H,1-2H3 	 134.1751 
 MACRNCO2H 	 OCC(C)(ON(=O)=O)C(=O)O 	 InChI=1S/C4H7NO6/c1-4(2-6,3(7)8)11-5(9)10/h6H,2H2,1H3,(H,7,8) 	 165.1015 
 CO25C73OH 	 CCC(=O)CC(O)C(=O)C 	 InChI=1S/C7H12O3/c1-3-6(9)4-7(10)5(2)8/h7,10H,3-4H2,1-2H3 	 144.1684 
 HO14M3C5 	 OCCC(C)C(C)O 	 InChI=1S/C6H14O2/c1-5(3-4-7)6(2)8/h5-8H,3-4H2,1-2H3 	 118.1742 
 TMB1FUO2 	 [O]OC1(C)C(C)OC(=O)C1O 	 InChI=1S/C6H9O5/c1-3-6(2,11-9)4(7)5(8)10-3/h3-4,7H,1-2H3 	 161.1327 
 EPXMDLCO3 	 CC1(OC1C(=O)O[O])C=O 	 InChI=1S/C5H5O5/c1-5(2-6)3(9-5)4(7)10-8/h2-3H,1H3 	 145.0902 
 C128CO 	 OCCC(=C)C(=O)CC(C)(C)C(=O)CC=O 	 InChI=1S/C12H18O4/c1-9(4-6-13)10(15)8-12(2,3)11(16)5-7-14/h7,13H,1,4-6,8H2,2-3H3 	 226.2689 
 CH2OHCL2O 	 OCC([O])(Cl)Cl 	 InChI=1S/C2H3Cl2O2/c3-2(4,6)1-5/h5H,1H2 	 129.9500 
 NDNCRESOOH 	 OOC1(O)C(=CC2(OOC1(C)C2ON(=O)=O)N(=O)=O)N(=O)=O 	 InChI=1S/C7H7N3O12/c1-5-4(19-10(16)17)6(9(14)15,22-21-5)2-3(8(12)13)7(5,11)20-18/h2,4,11,18H,1H3 	 325.1434 
 MIBKAO 	 CC(=O)CC(C)(C)[O] 	 InChI=1S/C6H11O2/c1-5(7)4-6(2,3)8/h4H2,1-3H3 	 115.1503 
 C732O2 	 [O]OCC(CCC(=O)O)C(=O)C 	 InChI=1S/C7H11O5/c1-5(8)6(4-12-11)2-3-7(9)10/h6H,2-4H2,1H3,(H,9,10) 	 175.1592 
 OETOH 	 CCc1c(C)cccc1O 	 InChI=1S/C9H12O/c1-3-8-7(2)5-4-6-9(8)10/h4-6,10H,3H2,1-2H3 	 136.1910 
 C144O2 	 O=CCC(CO)(O[O])C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H23O5/c1-10(17)4-5-11-12(8-13(11,2)3)14(9-16,19-18)6-7-15/h7,11-12,16H,4-6,8-9H2,1-3H3 	 271.3294 
 H3C25C6OH 	 CC(=O)C(O)CC(=O)CO 	 InChI=1S/C6H10O4/c1-4(8)6(10)2-5(9)3-7/h6-7,10H,2-3H2,1H3 	 146.1412 
 H3C25C6O2 	 CC(=O)C(O)CC(=O)CO[O] 	 InChI=1S/C6H9O5/c1-4(7)6(9)2-5(8)3-11-10/h6,9H,2-3H2,1H3 	 161.1327 
 IPRFORMNO3 	 O=COC(C)(C)ON(=O)=O 	 InChI=1S/C4H7NO5/c1-4(2,9-3-6)10-5(7)8/h3H,1-2H3 	 149.1021 
 M3C4CHO 	 CC(CC=O)CC 	 InChI=1S/C6H12O/c1-3-6(2)4-5-7/h5-6H,3-4H2,1-2H3 	 100.1589 
 C732OH 	 OCC(CCC(=O)O)C(=O)C 	 InChI=1S/C7H12O4/c1-5(9)6(4-8)2-3-7(10)11/h6,8H,2-4H2,1H3,(H,10,11) 	 160.1678 
 CO3H4CHO 	 CCC(=O)C(O)C=O 	 InChI=1S/C5H8O3/c1-2-4(7)5(8)3-6/h3,5,8H,2H2,1H3 	 116.1152 
 C6COHOCHO 	 OCCCC(=O)CC=O 	 InChI=1S/C6H10O3/c7-4-1-2-6(9)3-5-8/h5,7H,1-4H2 	 130.1418 
 C5EDBCO3 	 [O]OC(=O)C(=CC(=O)C(=O)C)CC 	 InChI=1S/C8H9O5/c1-3-6(8(11)13-12)4-7(10)5(2)9/h4H,3H2,1-2H3 	 185.1541 
 NAOO 	 [O-][O+]=CCCON(=O)=O 	 InChI=1S/C3H5NO5/c5-4(6)8-2-1-3-9-7/h3H,1-2H2 	 135.0755 
 C62O 	 CC(=O)C(=O)C([O])C(=O)C 	 InChI=1S/C6H7O4/c1-3(7)5(9)6(10)4(2)8/h5H,1-2H3 	 143.1174 
 C4DBM2PAN 	 O=CC(=O)C(=C(C)C(=O)OON(=O)=O)C 	 InChI=1S/C7H7NO7/c1-4(6(10)3-9)5(2)7(11)14-15-8(12)13/h3H,1-2H3 	 217.1330 
 CH3CLCOCL 	 ClC(=O)C(C)Cl 	 InChI=1S/C3H4Cl2O/c1-2(4)3(5)6/h2H,1H3 	 126.9693 
 CYHEXOL 	 OC1CCCCC1 	 InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2 	 100.1589 
 HM33C3O2 	 OCCC(C)(C)O[O] 	 InChI=1S/C5H11O3/c1-5(2,8-7)3-4-6/h6H,3-4H2,1-2H3 	 119.1390 
 TLBIPEROOH 	 OOC1C=CC2(C)OOC1C2O 	 InChI=1S/C7H10O5/c1-7-3-2-4(10-9)5(6(7)8)11-12-7/h2-6,8-9H,1H3 	 174.1513 
 CO3C5CO3H 	 CCC(=O)CCC(=O)OO 	 InChI=1S/C6H10O4/c1-2-5(7)3-4-6(8)10-9/h9H,2-4H2,1H3 	 146.1412 
 ISOPBNO3 	 OCC(C)(C=C)ON(=O)=O 	 InChI=1S/C5H9NO4/c1-3-5(2,4-7)10-6(8)9/h3,7H,1,4H2,2H3 	 147.1293 
 C93NO3 	 CCCC(O)C(CC(=O)CC)ON(=O)=O 	 InChI=1S/C9H17NO5/c1-3-5-8(12)9(15-10(13)14)6-7(11)4-2/h8-9,12H,3-6H2,1-2H3 	 219.2350 
 MMFO 	 COC([O])OC=O 	 InChI=1S/C3H5O4/c1-6-3(5)7-2-4/h2-3H,1H3 	 105.0694 
 NBUTOLAO 	 CCC([O])CO 	 InChI=1S/C4H9O2/c1-2-4(6)3-5/h4-5H,2-3H2,1H3 	 89.1131 
 NOXYFUO 	 O=N(=O)OC1(C)COC(=O)C1(C)[O] 	 InChI=1S/C6H8NO6/c1-5(13-7(10)11)3-12-4(8)6(5,2)9/h3H2,1-2H3 	 190.1308 
 C825CO 	 OCC(CC(=O)C(=O)O)C(=C)C 	 InChI=1S/C8H12O4/c1-5(2)6(4-9)3-7(10)8(11)12/h6,9H,1,3-4H2,2H3,(H,11,12) 	 172.1785 
 C1215O 	 O=CCCC(=O)C(=O)CC(C)(C)C([O])CCO 	 InChI=1S/C12H19O5/c1-12(2,11(17)5-7-14)8-10(16)9(15)4-3-6-13/h6,11,14H,3-5,7-8H2,1-2H3 	 243.2763 
 NC524NO3 	 OCC(ON(=O)=O)C(CO)(CO)ON(=O)=O 	 InChI=1S/C5H10N2O9/c8-1-4(15-6(11)12)5(2-9,3-10)16-7(13)14/h4,8-10H,1-3H2 	 242.1409 
 CONM2CO3 	 [O]OC(=O)C(C)(C=O)ON(=O)=O 	 InChI=1S/C4H4NO7/c1-4(2-6,3(7)11-10)12-5(8)9/h2H,1H3 	 178.0771 
 IC4H9OOH 	 OOCC(C)C 	 InChI=1S/C4H10O2/c1-4(2)3-6-5/h4-5H,3H2,1-2H3 	 90.1210 
 BZBIPERNO3 	 O=N(=O)OC1C=CC2OOC1C2O 	 InChI=1S/C6H7NO6/c8-5-3-1-2-4(11-7(9)10)6(5)13-12-3/h1-6,8H 	 189.1229 
 C23O3MCO3 	 [O]OC(=O)C(C)OC(=O)C(=O)C 	 InChI=1S/C6H7O6/c1-3(7)5(8)11-4(2)6(9)12-10/h4H,1-2H3 	 175.1162 
 NC102OOH 	 OOC(C)(C)C1CC(=O)CC(=O)C1(C)ON(=O)=O 	 InChI=1S/C10H15NO7/c1-9(2,18-16)7-4-6(12)5-8(13)10(7,3)17-11(14)15/h7,16H,4-5H2,1-3H3 	 261.2286 
 H3M3C5CO3 	 [O]OC(=O)CCC(C)(O)CC 	 InChI=1S/C7H13O4/c1-3-7(2,9)5-4-6(8)11-10/h9H,3-5H2,1-2H3 	 161.1757 
 CCL3O 	 [O]C(Cl)(Cl)Cl 	 InChI=1S/CCl3O/c2-1(3,4)5 	 134.3691 
 MEKCOH 	 CCC(=O)CO 	 InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3 	 88.1051 
 EOCOCH2O 	 CCOC(=O)C[O] 	 InChI=1S/C4H7O3/c1-2-7-4(6)3-5/h2-3H2,1H3 	 103.0966 
 TM124BP2OH 	 OC1C2(C)C=CC(C)(O)C1(C)OO2 	 InChI=1S/C9H14O4/c1-7-4-5-8(2,11)9(3,6(7)10)13-12-7/h4-6,10-11H,1-3H3 	 186.2051 
 CHCL2COCL 	 ClC(=O)C(Cl)Cl 	 InChI=1S/C2HCl3O/c3-1(4)2(5)6/h1H 	 147.3877 
 C139O 	 OCCC(=C)C1([O])CC(C)(C)C1CCC(=O)O 	 InChI=1S/C13H21O4/c1-9(6-7-14)13(17)8-12(2,3)10(13)4-5-11(15)16/h10,14H,1,4-8H2,2-3H3,(H,15,16) 	 241.3034 
 NOPINDCO 	 O=C1CC2CC(C1=O)C2(C)C 	 InChI=1S/C9H12O2/c1-9(2)5-3-6(9)8(11)7(10)4-5/h5-6H,3-4H2,1-2H3 	 152.1904 
 C2H5OOH 	 CCOO 	 InChI=1S/C2H6O2/c1-2-4-3/h3H,2H2,1H3 	 62.0678 
 C5M2OHOCO3 	 O=CC(O)C(=O)C(=C(C)C(=O)O[O])C 	 InChI=1S/C8H9O6/c1-4(5(2)8(12)14-13)7(11)6(10)3-9/h3,6,10H,1-2H3 	 201.1535 
 HM22C3CO3H 	 OOC(=O)CC(C)(C)CO 	 InChI=1S/C6H12O4/c1-6(2,4-7)3-5(8)10-9/h7,9H,3-4H2,1-2H3 	 148.1571 
 TBUTOL 	 CC(C)(C)O 	 InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3 	 74.1216 
 C87CO 	 O=CC(=O)C(C=O)C(C)(C)C=O 	 InChI=1S/C8H10O4/c1-8(2,5-11)6(3-9)7(12)4-10/h3-6H,1-2H3 	 170.1626 
 C88O 	 O=C1CCC(=O)C(C)(C)C1[O] 	 InChI=1S/C8H11O3/c1-8(2)6(10)4-3-5(9)7(8)11/h7H,3-4H2,1-2H3 	 155.1711 
 NDNOXYLOOH 	 OOC1(O)C(=C(C)C2(C)OOC1(N(=O)=O)C2ON(=O)=O)N(=O)=O 	 InChI=1S/C8H9N3O12/c1-3-4(9(13)14)8(12,21-19)7(10(15)16)5(20-11(17)18)6(3,2)22-23-7/h5,12,19H,1-2H3 	 339.1700 
 C518PAN 	 [O-][N+](=O)OOC(=O)C(CO)C(=C)C 	 InChI=1S/C6H9NO6/c1-4(2)5(3-8)6(9)12-13-7(10)11/h5,8H,1,3H2,2H3 	 191.1388 
 H3M3C5O2 	 CC(O)(CCO[O])CC 	 InChI=1S/C6H13O3/c1-3-6(2,7)4-5-9-8/h7H,3-5H2,1-2H3 	 133.1656 
 C824CO 	 OCCC(C(=C)C)C(=O)C=O 	 InChI=1S/C8H12O3/c1-6(2)7(3-4-9)8(11)5-10/h5,7,9H,1,3-4H2,2H3 	 156.1791 
 DMEBMUOH 	 CC(O)(C(O)C(=O)CC)C1OC1(C)C=O 	 InChI=1S/C10H16O5/c1-4-6(12)7(13)10(3,14)8-9(2,5-11)15-8/h5,7-8,13-14H,4H2,1-3H3 	 216.2310 
 MEKCO2 	 CCC(=O)CO[O] 	 InChI=1S/C4H7O3/c1-2-4(5)3-7-6/h2-3H2,1H3 	 103.0966 
 C117O 	 OCCC(=O)C1([O])CC(C)(C)C1CC=O 	 InChI=1S/C11H17O4/c1-10(2)7-11(15,8(10)3-5-12)9(14)4-6-13/h5,8,13H,3-4,6-7H2,1-2H3 	 213.2503 
 C923CO3H 	 OOC(=O)CC(CCC(=O)C)C(=C)C 	 InChI=1S/C10H16O4/c1-7(2)9(5-4-8(3)11)6-10(12)14-13/h9,13H,1,4-6H2,2-3H3 	 200.2316 
 IPRMETOOH 	 COC(C)(C)OO 	 InChI=1S/C4H10O3/c1-4(2,6-3)7-5/h5H,1-3H3 	 106.1204 
 NOETOLO2 	 CCC1=C(C)C2OOC(C2ON(=O)=O)C1(O)O[O] 	 InChI=1S/C9H12NO8/c1-3-5-4(2)6-7(15-10(12)13)8(17-16-6)9(5,11)18-14/h6-8,11H,3H2,1-2H3 	 262.1935 
 MO2EOLAO 	 COC([O])CO 	 InChI=1S/C3H7O3/c1-6-3(5)2-4/h3-4H,2H2,1H3 	 91.0859 
 C717O2 	 O=CCC(O[O])CC(=O)C(=O)C 	 InChI=1S/C7H9O5/c1-5(9)7(10)4-6(12-11)2-3-8/h3,6H,2,4H2,1H3 	 173.1434 
 C521O2 	 OCCC(=O)C(=O)CO[O] 	 InChI=1S/C5H7O5/c6-2-1-4(7)5(8)3-10-9/h6H,1-3H2 	 147.1061 
 PXYFUOH 	 CC1(O)C(O)COC1=O 	 InChI=1S/C5H8O4/c1-5(8)3(6)2-9-4(5)7/h3,6,8H,2H2,1H3 	 132.1146 
 DNPXYOLO 	 O=N(=O)C1=C(C)C2(OOC(C)(C2O)C1([O])O)N(=O)=O 	 InChI=1S/C8H9N2O9/c1-3-4(9(14)15)8(12,13)6(2)5(11)7(3,10(16)17)19-18-6/h5,11-12H,1-2H3 	 277.1651 
 INDOH 	 OCC(ON(=O)=O)C(C)(O)CO 	 InChI=1S/C5H11NO6/c1-5(9,3-8)4(2-7)12-6(10)11/h4,7-9H,2-3H2,1H3 	 181.1439 
 INDO2 	 OCC(ON(=O)=O)C(C)(CO)O[O] 	 InChI=1S/C5H10NO7/c1-5(3-8,13-11)4(2-7)12-6(9)10/h4,7-8H,2-3H2,1H3 	 196.1354 
 C914O 	 O=CC1C(=O)CC(=O)C([O])C1(C)C 	 InChI=1S/C9H11O4/c1-9(2)5(4-10)6(11)3-7(12)8(9)13/h4-5,8H,3H2,1-2H3 	 183.1812 
 HO3C106O2 	 CCCCC(O[O])CCC(O)CC 	 InChI=1S/C10H21O3/c1-3-5-6-10(13-12)8-7-9(11)4-2/h9-11H,3-8H2,1-2H3 	 189.2719 
 ALCOMOXOOH 	 OOCOC(=O)C=O 	 InChI=1S/C3H4O5/c4-1-3(5)7-2-8-6/h1,6H,2H2 	 120.0609 
 PXYFUO2 	 [O]OC1(C)C(O)COC1=O 	 InChI=1S/C5H7O5/c1-5(10-8)3(6)2-9-4(5)7/h3,6H,2H2,1H3 	 147.1061 
 IPBZMUCO2H 	 CC(C)C(=O)C=CC1OC1C(=O)O 	 InChI=1S/C9H12O4/c1-5(2)6(10)3-4-7-8(13-7)9(11)12/h3-5,7-8H,1-2H3,(H,11,12) 	 184.1892 
 C4COMOHPAN 	 O=N(=O)OOC(=O)C(C)(O)C(=O)C(=O)C 	 InChI=1S/C6H7NO8/c1-3(8)4(9)6(2,11)5(10)14-15-7(12)13/h11H,1-2H3 	 221.1217 
 PTNNCATCO2 	 [O]OC1(O)C(=C(C)C2(OOC1(CC)C2ON(=O)=O)N(=O)=O)O 	 InChI=1S/C9H11N2O11/c1-3-7-6(19-11(16)17)8(10(14)15,22-21-7)4(2)5(12)9(7,13)20-18/h6,12-13H,3H2,1-2H3 	 323.1904 
 NDNEBNZLO 	 CCC12OOC(C=C(N(=O)=O)C2([O])O)(N(=O)=O)C1ON(=O)=O 	 InChI=1S/C8H8N3O11/c1-2-6-5(20-11(18)19)7(10(16)17,22-21-6)3-4(9(14)15)8(6,12)13/h3,5,12H,2H2,1H3 	 322.1626 
 IPRACBCO3 	 CC(OC(=O)C)C(=O)O[O] 	 InChI=1S/C5H7O5/c1-3(5(7)10-8)9-4(2)6/h3H,1-2H3 	 147.1061 
 IPEBNO3 	 O=N(=O)OC(C)C(C)C 	 InChI=1S/C5H11NO3/c1-4(2)5(3)9-6(7)8/h4-5H,1-3H3 	 133.1457 
 C91O2 	 CCCCC(O[O])CC(=O)CC 	 InChI=1S/C9H17O3/c1-3-5-6-9(12-11)7-8(10)4-2/h9H,3-7H2,1-2H3 	 173.2295 
 NOETOLOH 	 CCC1=C(C)C2OOC(C2ON(=O)=O)C1(O)O 	 InChI=1S/C9H13NO7/c1-3-5-4(2)6-7(15-10(13)14)8(17-16-6)9(5,11)12/h6-8,11-12H,3H2,1-2H3 	 247.2020 
 IBUTOLCO 	 OCC(C)C[O] 	 InChI=1S/C4H9O2/c1-4(2-5)3-6/h4-5H,2-3H2,1H3 	 89.1131 
 ACPRONEO 	 CC(=O)OC([O])C(=O)C 	 InChI=1S/C5H7O4/c1-3(6)5(8)9-4(2)7/h5H,1-2H3 	 131.1067 
 M3PEBO 	 CCC(C)C(C)[O] 	 InChI=1S/C6H13O/c1-4-5(2)6(3)7/h5-6H,4H2,1-3H3 	 101.1668 
 CYHXOLAOOH 	 OOC1CCCCC1O 	 InChI=1S/C6H12O3/c7-5-3-1-2-4-6(5)9-8/h5-8H,1-4H2 	 132.1577 
 H2M2CO5C6 	 CC(=O)CCC(C)(C)O 	 InChI=1S/C7H14O2/c1-6(8)4-5-7(2,3)9/h9H,4-5H2,1-3H3 	 130.1849 
 CYHEXONE 	 O=C1CCCCC1 	 InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2 	 98.1430 
 C4COMOH3O2 	 CCC(O[O])CC(=O)CO 	 InChI=1S/C6H11O4/c1-2-6(10-9)3-5(8)4-7/h6-7H,2-4H2,1H3 	 147.1491 
 M23C43NO3 	 O=N(=O)OC(C)(C)C(C)C 	 InChI=1S/C6H13NO3/c1-5(2)6(3,4)10-7(8)9/h5H,1-4H3 	 147.1723 
 MXYLCO3 	 [O]OC(=O)c1cccc(C)c1 	 InChI=1S/C8H7O3/c1-6-3-2-4-7(5-6)8(9)11-10/h2-5H,1H3 	 151.1394 
 MXYOLOOH 	 OOC1(O)C=CC2(C)OOC1(C)C2O 	 InChI=1S/C8H12O6/c1-6-3-4-8(10,12-11)7(2,5(6)9)14-13-6/h3-5,9-11H,1-2H3 	 204.1773 
 C4COMOH3OH 	 CCC(O)CC(=O)CO 	 InChI=1S/C6H12O3/c1-2-5(8)3-6(9)4-7/h5,7-8H,2-4H2,1H3 	 132.1577 
 C826OOH 	 O=CCC(CC=O)C(C)(CO)OO 	 InChI=1S/C8H14O5/c1-8(6-11,13-12)7(2-4-9)3-5-10/h4-5,7,11-12H,2-3,6H2,1H3 	 190.1938 
 TM124MUOOH 	 OOC(C(O)C(=O)C)C1(C)OC1(C)C=O 	 InChI=1S/C9H14O6/c1-5(11)6(12)7(14-13)9(3)8(2,4-10)15-9/h4,6-7,12-13H,1-3H3 	 218.2039 
 BZEMUCOOH 	 O=CC(O)C(OO)C1OC1C=O 	 InChI=1S/C6H8O6/c7-1-3(9)5(12-10)6-4(2-8)11-6/h1-6,9-10H 	 176.1241 
 TM124OHNO2 	 Cc1cc(N(=O)=O)c(C)c(C)c1O 	 InChI=1S/C9H11NO3/c1-5-4-8(10(12)13)6(2)7(3)9(5)11/h4,11H,1-3H3 	 181.1885 
 ETBECNO3 	 O=N(=O)OCCOC(C)(C)C 	 InChI=1S/C6H13NO4/c1-6(2,3)10-4-5-11-7(8)9/h4-5H2,1-3H3 	 163.1717 
 SBUACBNO3 	 O=N(=O)OC(C)C(C)OC(=O)C 	 InChI=1S/C6H11NO5/c1-4(11-6(3)8)5(2)12-7(9)10/h4-5H,1-3H3 	 177.1552 
 C5CODBCO2H 	 CC(=O)C=C(C)C(=O)O 	 InChI=1S/C6H8O3/c1-4(6(8)9)3-5(2)7/h3H,1-2H3,(H,8,9) 	 128.1259 
 C6OH5NO3 	 CCCCC(CO)ON(=O)=O 	 InChI=1S/C6H13NO4/c1-2-3-4-6(5-8)11-7(9)10/h6,8H,2-5H2,1H3 	 163.1717 
 T123NCATEC 	 Cc1c(C)c(N(=O)=O)c(O)c(O)c1C 	 InChI=1S/C9H11NO4/c1-4-5(2)7(10(13)14)9(12)8(11)6(4)3/h11-12H,1-3H3 	 197.1879 
 PCATEC1O2 	 CCCc1cccc(O)c1O[O] 	 InChI=1S/C9H11O3/c1-2-4-7-5-3-6-8(10)9(7)12-11/h3,5-6,10H,2,4H2,1H3 	 167.1818 
 H2M5C65O 	 CC(O)CCC(C)(C)[O] 	 InChI=1S/C7H15O2/c1-6(8)4-5-7(2,3)9/h6,8H,4-5H2,1-3H3 	 131.1928 
 COO2C4CHO 	 COC(=O)CCC=O 	 InChI=1S/C5H8O3/c1-8-5(7)3-2-4-6/h4H,2-3H2,1H3 	 116.1152 
 C8M2CO6O 	 CCC(=O)C=C(C)C([O])C(=O)C 	 InChI=1S/C9H13O3/c1-4-8(11)5-6(2)9(12)7(3)10/h5,9H,4H2,1-3H3 	 169.1977 
 PRCOOMCO3 	 CCCC(=O)OCC(=O)O[O] 	 InChI=1S/C6H9O5/c1-2-3-5(7)10-4-6(8)11-9/h2-4H2,1H3 	 161.1327 
 EBZMUCCO3H 	 CCC(=O)C=CC1OC1C(=O)OO 	 InChI=1S/C8H10O5/c1-2-5(9)3-4-6-7(12-6)8(10)13-11/h3-4,6-7,11H,2H2,1H3 	 186.1620 
 EBFUO2 	 CCC1OC(=O)C(O[O])C1O 	 InChI=1S/C6H9O5/c1-2-3-4(7)5(11-9)6(8)10-3/h3-5,7H,2H2,1H3 	 161.1327 
 EBFUOH 	 CCC1OC(=O)C(O)C1O 	 InChI=1S/C6H10O4/c1-2-3-4(7)5(8)6(9)10-3/h3-5,7-8H,2H2,1H3 	 146.1412 
 TM124BPNO3 	 O=N(=O)OC1(C)C=CC2(C)OOC1(C)C2O 	 InChI=1S/C9H13NO6/c1-7-4-5-8(2,14-10(12)13)9(3,6(7)11)16-15-7/h4-6,11H,1-3H3 	 231.2026 
 IBUTOLCO2H 	 OOCC(C)CO 	 InChI=1S/C4H10O3/c1-4(2-5)3-7-6/h4-6H,2-3H2,1H3 	 106.1204 
 NPPRBQO2 	 CCCC1=CC(=O)C(O[O])C(ON(=O)=O)C1=O 	 InChI=1S/C9H10NO7/c1-2-3-5-4-6(11)8(17-15)9(7(5)12)16-10(13)14/h4,8-9H,2-3H2,1H3 	 244.1782 
 C718CO3 	 [O]OC(=O)CCC(=O)C(C)(C)C=O 	 InChI=1S/C8H11O5/c1-8(2,5-9)6(10)3-4-7(11)13-12/h5H,3-4H2,1-2H3 	 187.1699 
 MMCFNO3 	 O=COC(=O)OCON(=O)=O 	 InChI=1S/C3H3NO7/c5-1-9-3(6)10-2-11-4(7)8/h1H,2H2 	 165.0584 
 MTBEALCO3H 	 O=COC(C)(C)C(=O)OO 	 InChI=1S/C5H8O5/c1-5(2,9-3-6)4(7)10-8/h3,8H,1-2H3 	 148.1140 
 CO3C54CO3 	 CCC(=O)C(C)C(=O)O[O] 	 InChI=1S/C6H9O4/c1-3-5(7)4(2)6(8)10-9/h4H,3H2,1-2H3 	 145.1333 
 HOPINONIC 	 OCC(=O)C1CC(CC(=O)O)C1(C)C 	 InChI=1S/C10H16O4/c1-10(2)6(4-9(13)14)3-7(10)8(12)5-11/h6-7,11H,3-5H2,1-2H3,(H,13,14) 	 200.2316 
 HC4ACO3 	 OCC(=CC(=O)O[O])C 	 InChI=1S/C5H7O4/c1-4(3-6)2-5(7)9-8/h2,6H,3H2,1H3 	 131.1067 
 PXYQO 	 CC1=CC(=O)C(C)([O])C(O)C1=O 	 InChI=1S/C8H9O4/c1-4-3-5(9)8(2,12)7(11)6(4)10/h3,7,11H,1-2H3 	 169.1547 
 APINBOH 	 OC1CC2CC(C1(C)O)C2(C)C 	 InChI=1S/C10H18O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-8,11-12H,4-5H2,1-3H3 	 170.2487 
 PBZMUCPAN 	 CCCC(=O)C=CC1OC1C(=O)OON(=O)=O 	 InChI=1S/C9H11NO7/c1-2-3-6(11)4-5-7-8(15-7)9(12)16-17-10(13)14/h4-5,7-8H,2-3H2,1H3 	 245.1861 
 METLMUCOOH 	 CC1(OC1C(O)C(OO)C(=O)CC)C=O 	 InChI=1S/C9H14O6/c1-3-5(11)7(15-13)6(12)8-9(2,4-10)14-8/h4,6-8,12-13H,3H2,1-2H3 	 218.2039 
 C5CO14O2 	 CC(=O)C=CC(=O)O[O] 	 InChI=1S/C5H5O4/c1-4(6)2-3-5(7)9-8/h2-3H,1H3 	 129.0908 
 BZFUCO 	 OC1COC(=O)C1=O 	 InChI=1S/C4H4O4/c5-2-1-8-4(7)3(2)6/h2,5H,1H2 	 116.0722 
 C822OH 	 OCCC(CC=O)C(=C)C 	 InChI=1S/C8H14O2/c1-7(2)8(3-5-9)4-6-10/h5,8,10H,1,3-4,6H2,2H3 	 142.1956 
 HOBUT2CHO 	 CC(CCO)C=O 	 InChI=1S/C5H10O2/c1-5(4-7)2-3-6/h4-6H,2-3H2,1H3 	 102.1317 
 C822O2 	 [O]OCCC(CC=O)C(=C)C 	 InChI=1S/C8H13O3/c1-7(2)8(3-5-9)4-6-11-10/h5,8H,1,3-4,6H2,2H3 	 157.1870 
 C719OOH 	 OOC1(C)C(O)CC(=O)CC1O 	 InChI=1S/C7H12O5/c1-7(12-11)5(9)2-4(8)3-6(7)10/h5-6,9-11H,2-3H2,1H3 	 176.1672 
 NPROACECO2 	 [O]OCCCOC(=O)C 	 InChI=1S/C5H9O4/c1-5(6)8-3-2-4-9-7/h2-4H2,1H3 	 133.1226 
 C5DBEPAN 	 CCC(=CC(=O)OON(=O)=O)C(=O)C(=O)C 	 InChI=1S/C8H9NO7/c1-3-6(8(12)5(2)10)4-7(11)15-16-9(13)14/h4H,3H2,1-2H3 	 231.1596 
 C5CO14OH 	 CC(=O)C=CC(=O)O 	 InChI=1S/C5H6O3/c1-4(6)2-3-5(7)8/h2-3H,1H3,(H,7,8) 	 114.0993 
 M3HEXANO3 	 CCC(C)CC(C)ON(=O)=O 	 InChI=1S/C7H15NO3/c1-4-6(2)5-7(3)11-8(9)10/h6-7H,4-5H2,1-3H3 	 161.1989 
 INB1NBCO3 	 [O]OC(=O)C(C)(ON(=O)=O)C(CO)ON(=O)=O 	 InChI=1S/C5H7N2O10/c1-5(4(9)16-14,17-7(12)13)3(2-8)15-6(10)11/h3,8H,2H2,1H3 	 255.1165 
 C730OOH 	 OCCC(C=O)C(C)(CO)OO 	 InChI=1S/C7H14O5/c1-7(5-10,12-11)6(4-9)2-3-8/h4,6,8,10-11H,2-3,5H2,1H3 	 178.1831 
 TLBIPERO2 	 [O]OC1C=CC2(C)OOC1C2O 	 InChI=1S/C7H9O5/c1-7-3-2-4(10-9)5(6(7)8)11-12-7/h2-6,8H,1H3 	 173.1434 
 C7CO4EDB 	 O=CC(=O)C=C(CC)C(=O)C(=O)C 	 InChI=1S/C9H10O4/c1-3-7(4-8(12)5-10)9(13)6(2)11/h4-5H,3H2,1-2H3 	 182.1733 
 PBZMUCCO3 	 CCCC(=O)C=CC1OC1C(=O)O[O] 	 InChI=1S/C9H11O5/c1-2-3-6(10)4-5-7-8(13-7)9(11)14-12/h4-5,7-8H,2-3H2,1H3 	 199.1806 
 IPGLOOB 	 [O-][O+]CC(=O)C(C)C 	 InChI=1S/C5H9O3/c1-4(2)5(6)3-8-7/h4H,3H2,1-2H3 	 117.1232 
 C521OH 	 OCCC(=O)C(=O)CO 	 InChI=1S/C5H8O4/c6-2-1-4(8)5(9)3-7/h6-7H,1-3H2 	 132.1146 
 IBUDIALCO3 	 CC(C=O)C(=O)O[O] 	 InChI=1S/C4H5O4/c1-3(2-5)4(6)8-7/h2-3H,1H3 	 117.0801 
 TM124BCO3 	 [O]OC(=O)c1ccc(C)c(C)c1 	 InChI=1S/C9H9O3/c1-6-3-4-8(5-7(6)2)9(10)12-11/h3-5H,1-2H3 	 165.1660 
 CO24C53O 	 CC(=O)C([O])C(=O)C 	 InChI=1S/C5H7O3/c1-3(6)5(8)4(2)7/h5H,1-2H3 	 115.1073 
 BCKAO2 	 [O]OC1(C)CCC2C(CC2(C)C)C(=O)CCC1O 	 InChI=1S/C14H23O4/c1-13(2)8-9-10(13)6-7-14(3,18-17)12(16)5-4-11(9)15/h9-10,12,16H,4-8H2,1-3H3 	 255.3300 
 NMETLQO2 	 CCC1=CC(=O)C(ON(=O)=O)C(C)(O[O])C1=O 	 InChI=1S/C9H10NO7/c1-3-5-4-6(11)8(16-10(13)14)9(2,17-15)7(5)12/h4,8H,3H2,1-2H3 	 244.1782 
 ACROOA 	 [O-][O+]=CC=C 	 InChI=1S/C3H4O2/c1-2-3-5-4/h2-3H,1H2 	 72.0627 
 C8CO2DBPAN 	 CCCC(=CC(=O)C=O)C(=O)OON(=O)=O 	 InChI=1S/C8H9NO7/c1-2-3-6(4-7(11)5-10)8(12)15-16-9(13)14/h4-5H,2-3H2,1H3 	 231.1596 
 IPMALNHYO2 	 [O]OC1(C(C)C)C(=O)OC(=O)C1O 	 InChI=1S/C7H9O6/c1-3(2)7(13-11)4(8)5(9)12-6(7)10/h3-4,8H,1-2H3 	 189.1428 
 C726CO5OOH 	 OOC(C=CC(=O)C)C(=O)C 	 InChI=1S/C7H10O4/c1-5(8)3-4-7(11-10)6(2)9/h3-4,7,10H,1-2H3 	 158.1519 
 C136OH 	 O=CCCC(=C)C1CC(C)(C)C1CCO 	 InChI=1S/C13H22O2/c1-10(5-4-7-14)11-9-13(2,3)12(11)6-8-15/h7,11-12,15H,1,4-6,8-9H2,2-3H3 	 210.3126 
 IBUTACID 	 CC(C)C(=O)O 	 InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6) 	 88.1051 
 PXNCATECO 	 O=N(=O)C12OOC(C)(C2O)C([O])(O)C(=C1C)O 	 InChI=1S/C8H10NO8/c1-3-4(10)8(12,13)6(2)5(11)7(3,9(14)15)17-16-6/h5,10-12H,1-2H3 	 248.1669 
 PXNCATECH 	 Cc1cc(N(=O)=O)c(C)c(O)c1O 	 InChI=1S/C8H9NO4/c1-4-3-6(9(12)13)5(2)8(11)7(4)10/h3,10-11H,1-2H3 	 183.1614 
 C66NO35CO 	 CCCCC(=O)CON(=O)=O 	 InChI=1S/C6H11NO4/c1-2-3-4-6(8)5-11-7(9)10/h2-5H2,1H3 	 161.1558 
 TLEPOXMUC 	 O=CC1OC1C=CC(=O)C 	 InChI=1S/C7H8O3/c1-5(9)2-3-6-7(4-8)10-6/h2-4,6-7H,1H3 	 140.1366 
 C113OH 	 CCCCCC(O)C(O)CC(=O)CC 	 InChI=1S/C11H22O3/c1-3-5-6-7-10(13)11(14)8-9(12)4-2/h10-11,13-14H,3-8H2,1-2H3 	 202.2906 
 C113O2 	 CCCCCC(O)C(O[O])CC(=O)CC 	 InChI=1S/C11H21O4/c1-3-5-6-7-10(13)11(15-14)8-9(12)4-2/h10-11,13H,3-8H2,1-2H3 	 217.2820 
 NEBFUOOH 	 CCC1OC(=O)C(OO)C1ON(=O)=O 	 InChI=1S/C6H9NO7/c1-2-3-4(13-7(9)10)5(14-11)6(8)12-3/h3-5,11H,2H2,1H3 	 207.1382 
 C1014O 	 O=CCC(C)(C)C([O])CCC(=O)OC 	 InChI=1S/C10H17O4/c1-10(2,6-7-11)8(12)4-5-9(13)14-3/h7-8H,4-6H2,1-3H3 	 201.2396 
 H2M3C4OOH 	 OOCC(C)C(C)O 	 InChI=1S/C5H12O3/c1-4(3-8-7)5(2)6/h4-7H,3H2,1-2H3 	 120.1470 
 C136O2 	 [O]OCCC1C(CC1(C)C)C(=C)CCC=O 	 InChI=1S/C13H21O3/c1-10(5-4-7-14)11-9-13(2,3)12(11)6-8-16-15/h7,11-12H,1,4-6,8-9H2,2-3H3 	 225.3040 
 C1210CO3H 	 O=CCCC(=O)C1CC(C)(C)C1CCC(=O)OO 	 InChI=1S/C13H20O5/c1-13(2)8-9(11(15)4-3-7-14)10(13)5-6-12(16)18-17/h7,9-10,17H,3-6,8H2,1-2H3 	 256.2949 
 LIMALO 	 O=CCC(CCC(=O)C)C(C)([O])CO 	 InChI=1S/C10H17O4/c1-8(13)3-4-9(5-6-11)10(2,14)7-12/h6,9,12H,3-5,7H2,1-2H3 	 201.2396 
 H2MC5OOH 	 OOCCC(C)C(C)O 	 InChI=1S/C6H14O3/c1-5(6(2)7)3-4-9-8/h5-8H,3-4H2,1-2H3 	 134.1736 
 MALDALCO2H 	 O=CC=CC(=O)O 	 InChI=1S/C4H4O3/c5-3-1-2-4(6)7/h1-3H,(H,6,7) 	 100.0728 
 BCKAOO 	 O=CCCC(=O)C1CC(C)(C)C1CCC(=[O+][O-])C 	 InChI=1S/C14H22O4/c1-10(18-17)6-7-12-11(9-14(12,2)3)13(16)5-4-8-15/h8,11-12H,4-7,9H2,1-3H3 	 254.3221 
 PBENZO 	 CCCc1ccccc1[O] 	 InChI=1S/C9H11O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5H2,1H3 	 135.1830 
 BCKAOH 	 O=C1CCC(O)C(C)(O)CCC2C1CC2(C)C 	 InChI=1S/C14H24O3/c1-13(2)8-9-10(13)6-7-14(3,17)12(16)5-4-11(9)15/h9-10,12,16-17H,4-8H2,1-3H3 	 240.3386 
 NPXYFUOOH 	 OOC1(C)C(=O)OCC1ON(=O)=O 	 InChI=1S/C5H7NO7/c1-5(13-10)3(12-6(8)9)2-11-4(5)7/h3,10H,2H2,1H3 	 193.1116 
 CHOCOMOXO 	 [O]COC(=O)C=O 	 InChI=1S/C3H3O4/c4-1-3(6)7-2-5/h1H,2H2 	 103.0535 
 HC3CO2H 	 OCC=CC(=O)O 	 InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h1-2,5H,3H2,(H,6,7) 	 102.0886 
 C515CO3H 	 OOC(=O)CC(=O)C(=O)CC=O 	 InChI=1S/C6H6O6/c7-2-1-4(8)5(9)3-6(10)12-11/h2,11H,1,3H2 	 174.1082 
 IPROMC2O2 	 [O]OCC(C)OC(C)C 	 InChI=1S/C6H13O3/c1-5(2)9-6(3)4-8-7/h5-6H,4H2,1-3H3 	 133.1656 
 MIBKHO14 	 OCC(=O)CC(C)(C)O 	 InChI=1S/C6H12O3/c1-6(2,9)3-5(8)4-7/h7,9H,3-4H2,1-2H3 	 132.1577 
 C152O2 	 O=CCCC(CO)(O[O])C1CC(C)(C)C1CCC(=O)OC 	 InChI=1S/C15H25O6/c1-14(2)9-12(11(14)5-6-13(18)20-3)15(10-17,21-19)7-4-8-16/h8,11-12,17H,4-7,9-10H2,1-3H3 	 301.3554 
 LIMANO3 	 [O-][N+](=O)OC1(C)CCC(CC1O)C(=C)C 	 InChI=1S/C10H17NO4/c1-7(2)8-4-5-10(3,9(12)6-8)15-11(13)14/h8-9,12H,1,4-6H2,2-3H3 	 215.2463 
 C827CO3H 	 OOC(=O)C(C)(C)C(=O)CCC(=O)C 	 InChI=1S/C9H14O5/c1-6(10)4-5-7(11)9(2,3)8(12)14-13/h13H,4-5H2,1-3H3 	 202.2045 
 HO2C3CO2H 	 CC(O)CC(=O)O 	 InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7) 	 104.1045 
 MXYLAL 	 O=Cc1cccc(C)c1 	 InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3 	 120.1485 
 CLCOCH2O2 	 [O]OCC(=O)Cl 	 InChI=1S/C2H2ClO3/c3-2(4)1-6-5/h1H2 	 109.4885 
 C58O2 	 O=CC(O)C(C)(CO)O[O] 	 InChI=1S/C5H9O5/c1-5(3-7,10-9)4(8)2-6/h2,4,7-8H,3H2,1H3 	 149.1220 
 PBFUOOH 	 CCCC1OC(=O)C(OO)C1O 	 InChI=1S/C7H12O5/c1-2-3-4-5(8)6(12-10)7(9)11-4/h4-6,8,10H,2-3H2,1H3 	 176.1672 
 C6MOCOCO3H 	 CC(=CC(=O)OO)C(=O)C(O)C(=O)C 	 InChI=1S/C8H10O6/c1-4(3-6(10)14-13)7(11)8(12)5(2)9/h3,8,12-13H,1-2H3 	 202.1614 
 C58OH 	 O=CC(O)C(C)(O)CO 	 InChI=1S/C5H10O4/c1-5(9,3-7)4(8)2-6/h2,4,7-9H,3H2,1H3 	 134.1305 
 IC5H12 	 CCC(C)C 	 InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3 	 72.1488 
 BCLKBOOH 	 O=CCCC(=O)C1CC(C)(C)C1CCC(=O)COO 	 InChI=1S/C14H22O5/c1-14(2)8-11(13(17)4-3-7-15)12(14)6-5-10(16)9-19-18/h7,11-12,18H,3-6,8-9H2,1-2H3 	 270.3215 
 C727CO3 	 [O]OC(=O)C(CCC(=O)C)C(=O)C 	 InChI=1S/C8H11O5/c1-5(9)3-4-7(6(2)10)8(11)13-12/h7H,3-4H2,1-2H3 	 187.1699 
 DNT124BOL 	 O=N(=O)c1c(N(=O)=O)c(C)c(C)c(O)c1C 	 InChI=1S/C9H10N2O5/c1-4-5(2)9(12)6(3)8(11(15)16)7(4)10(13)14/h12H,1-3H3 	 226.1861 
 BOXPROBOOH 	 CCCCOC(OO)C(=O)C 	 InChI=1S/C7H14O4/c1-3-4-5-10-7(11-9)6(2)8/h7,9H,3-5H2,1-2H3 	 162.1837 
 C152OH 	 O=CCCC(O)(CO)C1CC(C)(C)C1CCC(=O)OC 	 InChI=1S/C15H26O5/c1-14(2)9-12(11(14)5-6-13(18)20-3)15(19,10-17)7-4-8-16/h8,11-12,17,19H,4-7,9-10H2,1-3H3 	 286.3639 
 IPROMC2OH 	 OCC(C)OC(C)C 	 InChI=1S/C6H14O2/c1-5(2)8-6(3)4-7/h5-7H,4H2,1-3H3 	 118.1742 
 C810OH 	 O=CCC(CC=O)C(C)(C)O 	 InChI=1S/C8H14O3/c1-8(2,11)7(3-5-9)4-6-10/h5-7,11H,3-4H2,1-2H3 	 158.1950 
 M2C43CO3 	 [O]OC(=O)C(C)C(C)C 	 InChI=1S/C6H11O3/c1-4(2)5(3)6(7)9-8/h4-5H,1-3H3 	 131.1497 
 INDHCO3 	 OCC(ON(=O)=O)C(C)(O)C(=O)O[O] 	 InChI=1S/C5H8NO8/c1-5(9,4(8)14-12)3(2-7)13-6(10)11/h3,7,9H,2H2,1H3 	 210.1189 
 OTCATEC1O 	 CCc1c(C)ccc(O)c1[O] 	 InChI=1S/C9H11O2/c1-3-7-6(2)4-5-8(10)9(7)11/h4-5,10H,3H2,1-2H3 	 151.1824 
 COO2C4O 	 COC(=O)CC[O] 	 InChI=1S/C4H7O3/c1-7-4(6)2-3-5/h2-3H2,1H3 	 103.0966 
 M22C4OH 	 OCCC(C)(C)C 	 InChI=1S/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3 	 102.1748 
 C6DIALOOH 	 O=CCCC(OO)CC=O 	 InChI=1S/C6H10O4/c7-4-1-2-6(10-9)3-5-8/h4-6,9H,1-3H2 	 146.1412 
 OXYFUO2 	 [O]OC1(C)C(=O)OCC1(C)O 	 InChI=1S/C6H9O5/c1-5(8)3-10-4(7)6(5,2)11-9/h8H,3H2,1-2H3 	 161.1327 
 C6CO34HO1 	 OCCC(=O)C(=O)CC 	 InChI=1S/C6H10O3/c1-2-5(8)6(9)3-4-7/h7H,2-4H2,1H3 	 130.1418 
 NTM135OLO2 	 [O]OC1(O)C(=CC2(C)OOC1(C)C2ON(=O)=O)C 	 InChI=1S/C9H12NO8/c1-5-4-7(2)6(15-10(12)13)8(3,18-17-7)9(5,11)16-14/h4,6,11H,1-3H3 	 262.1935 
 C615CO2O2 	 [O]OC(C=O)C=CC(=O)C 	 InChI=1S/C6H7O4/c1-5(8)2-3-6(4-7)10-9/h2-4,6H,1H3 	 143.1174 
 METLMUCPAN 	 CCC(=O)C=CC1OC1(C)C(=O)OON(=O)=O 	 InChI=1S/C9H11NO7/c1-3-6(11)4-5-7-9(2,15-7)8(12)16-17-10(13)14/h4-5,7H,3H2,1-2H3 	 245.1861 
 C615CO2OH 	 O=CC(O)C=CC(=O)C 	 InChI=1S/C6H8O3/c1-5(8)2-3-6(9)4-7/h2-4,6,9H,1H3 	 128.1259 
 NTM135OLOH 	 O=N(=O)OC1C2(C)OOC1(C)C(O)(O)C(=C2)C 	 InChI=1S/C9H13NO7/c1-5-4-7(2)6(15-10(13)14)8(3,17-16-7)9(5,11)12/h4,6,11-12H,1-3H3 	 247.2020 
 OXYFUOH 	 CC1(O)C(=O)OCC1(C)O 	 InChI=1S/C6H10O4/c1-5(8)3-10-4(7)6(5,2)9/h8-9H,3H2,1-2H3 	 146.1412 
 M22C4O2 	 [O]OCCC(C)(C)C 	 InChI=1S/C6H13O2/c1-6(2,3)4-5-8-7/h4-5H2,1-3H3 	 117.1662 
 PBZBPER2OH 	 CCCC12OOC(C2O)C(O)C=C1 	 InChI=1S/C9H14O4/c1-2-4-9-5-3-6(10)7(8(9)11)12-13-9/h3,5-8,10-11H,2,4H2,1H3 	 186.2051 
 TBUACCO3 	 [O]OC(=O)C(C)(C)OC(=O)C 	 InChI=1S/C6H9O5/c1-4(7)10-6(2,3)5(8)11-9/h1-3H3 	 161.1327 
 C6COALCO3H 	 O=CCCC(=O)CC(=O)OO 	 InChI=1S/C6H8O5/c7-3-1-2-5(8)4-6(9)11-10/h3,10H,1-2,4H2 	 160.1247 
 HM22CO2H 	 OCC(C)(C)C(=O)O 	 InChI=1S/C5H10O3/c1-5(2,3-6)4(7)8/h6H,3H2,1-2H3,(H,7,8) 	 118.1311 
 IC4CHOAOOH 	 OOC(C=O)C(C)C 	 InChI=1S/C5H10O3/c1-4(2)5(3-6)8-7/h3-5,7H,1-2H3 	 118.1311 
 C4COMEOH 	 CCCCC(=O)CO 	 InChI=1S/C6H12O2/c1-2-3-4-6(8)5-7/h7H,2-5H2,1H3 	 116.1583 
 METLMUCCO 	 CC1(OC1C(O)C(=O)C(=O)CC)C=O 	 InChI=1S/C9H12O5/c1-3-5(11)6(12)7(13)8-9(2,4-10)14-8/h4,7-8,13H,3H2,1-2H3 	 200.1886 
 C65NO36O 	 CCCCC(C[O])ON(=O)=O 	 InChI=1S/C6H12NO4/c1-2-3-4-6(5-8)11-7(9)10/h6H,2-5H2,1H3 	 162.1638 
 M3HEXBOOH 	 CCCC(C)(CC)OO 	 InChI=1S/C7H16O2/c1-4-6-7(3,5-2)9-8/h8H,4-6H2,1-3H3 	 132.2007 
 C59OOH 	 OCC(=O)C(C)(CO)OO 	 InChI=1S/C5H10O5/c1-5(3-7,10-9)4(8)2-6/h6-7,9H,2-3H2,1H3 	 150.1299 
 HNMVKOH 	 OCC(O)C(=O)CON(=O)=O 	 InChI=1S/C4H7NO6/c6-1-3(7)4(8)2-11-5(9)10/h3,6-7H,1-2H2 	 165.1015 
 MIBKOHBOOH 	 OOCC(C)(O)CC(=O)C 	 InChI=1S/C6H12O4/c1-5(7)3-6(2,8)4-10-9/h8-9H,3-4H2,1-2H3 	 148.1571 
 BOX2MO 	 CCCCOC[O] 	 InChI=1S/C5H11O2/c1-2-3-4-7-5-6/h2-5H2,1H3 	 103.1396 
 IC7DCOOH 	 OOC(C(O)C=O)C(=O)C(C)C 	 InChI=1S/C7H12O5/c1-4(2)6(10)7(12-11)5(9)3-8/h3-5,7,9,11H,1-2H3 	 176.1672 
 METHACETO 	 CC(=O)OC[O] 	 InChI=1S/C3H5O3/c1-3(5)6-2-4/h2H2,1H3 	 89.0700 
 HNMVKO2 	 OCC(O[O])C(=O)CON(=O)=O 	 InChI=1S/C4H6NO7/c6-1-4(12-10)3(7)2-11-5(8)9/h4,6H,1-2H2 	 180.0929 
 H1MC5O2 	 OCCC(C)C(C)O[O] 	 InChI=1S/C6H13O3/c1-5(3-4-7)6(2)9-8/h5-7H,3-4H2,1-2H3 	 133.1656 
 C126CHO 	 O=CCCC(=C)C1CC(C)(C)C1CC=O 	 InChI=1S/C13H20O2/c1-10(5-4-7-14)11-9-13(2,3)12(11)6-8-15/h7-8,11-12H,1,4-6,9H2,2-3H3 	 208.2967 
 C628O2 	 O=CCC(CO)(O[O])C(=O)C 	 InChI=1S/C6H9O5/c1-5(9)6(4-8,11-10)2-3-7/h3,8H,2,4H2,1H3 	 161.1327 
 HO2CO35C7 	 CCC(=O)CC(=O)C(C)O 	 InChI=1S/C7H12O3/c1-3-6(9)4-7(10)5(2)8/h5,8H,3-4H2,1-2H3 	 144.1684 
 C3M3OH2PAN 	 O=N(=O)OOC(=O)C(O)C(C)C 	 InChI=1S/C5H9NO6/c1-3(2)4(7)5(8)11-12-6(9)10/h3-4,7H,1-2H3 	 179.1281 
 H2M2C3CO3 	 [O]OC(=O)CC(C)(C)O 	 InChI=1S/C5H9O4/c1-5(2,7)3-4(6)9-8/h7H,3H2,1-2H3 	 133.1226 
 PNCATECO2 	 CCCC12OOC(C(=C(O)C2(O)O[O])N(=O)=O)C1O 	 InChI=1S/C9H12NO9/c1-2-3-8-7(12)5(17-19-8)4(10(14)15)6(11)9(8,13)18-16/h5,7,11-13H,2-3H2,1H3 	 278.1929 
 MEPROPENE 	 CC(=C)C 	 InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3 	 56.1063 
 DNMXYOLO2 	 [O]OC1(O)C(=C(N(=O)=O)C2(OOC1(C)C2O)N(=O)=O)C 	 InChI=1S/C8H9N2O10/c1-3-4(9(13)14)7(10(15)16)5(11)6(2,19-20-7)8(3,12)18-17/h5,11-12H,1-2H3 	 293.1645 
 LIMBNO3 	 [O-][N+](=O)OC1CC(CCC1(C)O)C(=C)C 	 InChI=1S/C10H17NO4/c1-7(2)8-4-5-10(3,12)9(6-8)15-11(13)14/h8-9,12H,1,4-6H2,2-3H3 	 215.2463 
 MNNCATCOOH 	 OOC1(O)C(=C(N(=O)=O)C2OOC1(C)C2ON(=O)=O)O 	 InChI=1S/C7H8N2O11/c1-6-5(17-9(14)15)3(18-20-6)2(8(12)13)4(10)7(6,11)19-16/h3,5,10-11,16H,1H3 	 296.1452 
 HO13C4OH 	 OCCC(O)CO 	 InChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2 	 106.1204 
 HO13C4O2 	 OCCC(O)CO[O] 	 InChI=1S/C4H9O4/c5-2-1-4(6)3-8-7/h4-6H,1-3H2 	 121.1119 
 C3NO3COO2 	 [O]OCC(=O)CON(=O)=O 	 InChI=1S/C3H4NO6/c5-3(2-10-8)1-9-4(6)7/h1-2H2 	 150.0670 
 C5CO243OH 	 CC(=O)C(O)C(=O)C 	 InChI=1S/C5H8O3/c1-3(6)5(8)4(2)7/h5,8H,1-2H3 	 116.1152 
 C615CO2OOH 	 OOC(C=O)C=CC(=O)C 	 InChI=1S/C6H8O4/c1-5(8)2-3-6(4-7)10-9/h2-4,6,9H,1H3 	 144.1253 
 C628OH 	 O=CCC(O)(CO)C(=O)C 	 InChI=1S/C6H10O4/c1-5(9)6(10,4-8)2-3-7/h3,8,10H,2,4H2,1H3 	 146.1412 
 C7DDCO 	 CC([O])(C=O)C(O)C(=O)CC 	 InChI=1S/C7H11O4/c1-3-5(9)6(10)7(2,11)4-8/h4,6,10H,3H2,1-2H3 	 159.1598 
 NC3H7O2 	 CCCO[O] 	 InChI=1S/C3H7O2/c1-2-3-5-4/h2-3H2,1H3 	 75.0865 
 CO3C4CO3H 	 CCC(=O)CC(=O)OO 	 InChI=1S/C5H8O4/c1-2-4(6)3-5(7)9-8/h8H,2-3H2,1H3 	 132.1146 
 C115O 	 CCCCCC(=O)C(=O)C([O])C(=O)CC 	 InChI=1S/C11H17O4/c1-3-5-6-7-9(13)11(15)10(14)8(12)4-2/h10H,3-7H2,1-2H3 	 213.2503 
 MOXY2CHO 	 O=COCC=O 	 InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2 	 88.0621 
 NCATECOOH 	 OOC1(O)C(=CC2(OOC1C2O)N(=O)=O)O 	 InChI=1S/C6H7NO9/c8-2-1-5(7(11)12)3(9)4(14-16-5)6(2,10)15-13/h1,3-4,8-10,13H 	 237.1211 
 MMALNACO2H 	 O=CC(C)(ON(=O)=O)C(O)C(=O)O 	 InChI=1S/C5H7NO7/c1-5(2-7,13-6(11)12)3(8)4(9)10/h2-3,8H,1H3,(H,9,10) 	 193.1116 
 BOXPOLANO3 	 CCCC(OCC(C)O)ON(=O)=O 	 InChI=1S/C7H15NO5/c1-3-4-7(13-8(10)11)12-5-6(2)9/h6-7,9H,3-5H2,1-2H3 	 193.1977 
 C3MDIALO2 	 [O]OC(C)(C=O)C=O 	 InChI=1S/C4H5O4/c1-4(2-5,3-6)8-7/h2-3H,1H3 	 117.0801 
 C6OH5O 	 CCCCC([O])CO 	 InChI=1S/C6H13O2/c1-2-3-4-6(8)5-7/h6-7H,2-5H2,1H3 	 117.1662 
 CONO3C6OOH 	 CCC(OO)C(ON(=O)=O)C(=O)C 	 InChI=1S/C6H11NO6/c1-3-5(13-11)6(4(2)8)12-7(9)10/h5-6,11H,3H2,1-2H3 	 193.1546 
 LIMCO 	 OCC(C)([O])C1CCC(=CC1)C 	 InChI=1S/C10H17O2/c1-8-3-5-9(6-4-8)10(2,12)7-11/h3,9,11H,4-7H2,1-2H3 	 169.2408 
 C621O2 	 OCC(O[O])CC(=O)C(=O)CO 	 InChI=1S/C6H9O6/c7-2-4(12-11)1-5(9)6(10)3-8/h4,7-8H,1-3H2 	 177.1321 
 PETLMUCNO3 	 CCC(=O)C(ON(=O)=O)C(O)C1(C)OC1C=O 	 InChI=1S/C9H13NO7/c1-3-5(12)7(17-10(14)15)8(13)9(2)6(4-11)16-9/h4,6-8,13H,3H2,1-2H3 	 247.2020 
 CO1M22CHO 	 O=CC(C)(C)C=O 	 InChI=1S/C5H8O2/c1-5(2,3-6)4-7/h3-4H,1-2H3 	 100.1158 
 OCT3ONE 	 CCCCCC(=O)CC 	 InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3 	 128.2120 
 C915NO3 	 O=CC1C(=O)CCC(ON(=O)=O)C1(C)C 	 InChI=1S/C9H13NO5/c1-9(2)6(5-11)7(12)3-4-8(9)15-10(13)14/h5-6,8H,3-4H2,1-2H3 	 215.2032 
 MVKOHBO 	 OCC(=O)C([O])CO 	 InChI=1S/C4H7O4/c5-1-3(7)4(8)2-6/h3,5-6H,1-2H2 	 119.0960 
 PRNO3CO2H 	 O=N(=O)OC(C)C(=O)O 	 InChI=1S/C3H5NO5/c1-2(3(5)6)9-4(7)8/h2H,1H3,(H,5,6) 	 135.0755 
 CHCLOHCO 	 [O]CC(O)Cl 	 InChI=1S/C2H4ClO2/c3-2(5)1-4/h2,5H,1H2 	 95.5050 
 IPGLYOXOH 	 O=C(C(C)C)C(=O)O 	 InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8) 	 116.1152 
 HO2C5NO3 	 CC(O)CCCON(=O)=O 	 InChI=1S/C5H11NO4/c1-5(7)3-2-4-10-6(8)9/h5,7H,2-4H2,1H3 	 149.1451 
 MIBKCOOHO 	 CC(O)(C[O])C(=O)C(=O)C 	 InChI=1S/C6H9O4/c1-4(8)5(9)6(2,10)3-7/h10H,3H2,1-2H3 	 145.1333 
 C7MOHCOCO3 	 [O]OC(=O)C(=C(C)C(=O)C(O)C(=O)C)C 	 InChI=1S/C9H11O6/c1-4(5(2)9(13)15-14)7(11)8(12)6(3)10/h8,12H,1-3H3 	 215.1800 
 C63NO32OOH 	 CCCC(ON(=O)=O)C(C)OO 	 InChI=1S/C6H13NO5/c1-3-4-6(5(2)12-10)11-7(8)9/h5-6,10H,3-4H2,1-2H3 	 179.1711 
 C3MDIALOH 	 O=CC(C)(O)C=O 	 InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3 	 102.0886 
 METHACET 	 COC(=O)C 	 InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3 	 74.0785 
 C624OOH 	 OCCC(OO)C(=C)C 	 InChI=1S/C6H12O3/c1-5(2)6(9-8)3-4-7/h6-8H,1,3-4H2,2H3 	 132.1577 
 TM135BPRO2 	 [O]OC1C(=CC2(C)OOC1(C)C2O)C 	 InChI=1S/C9H13O5/c1-5-4-8(2)7(10)9(3,14-13-8)6(5)12-11/h4,6-7,10H,1-3H3 	 201.1965 
 HM33C4NO3 	 OCCC(C)(C)CON(=O)=O 	 InChI=1S/C6H13NO4/c1-6(2,3-4-8)5-11-7(9)10/h8H,3-5H2,1-2H3 	 163.1717 
 NC3OO 	 [O-][O+]=C(C)CON(=O)=O 	 InChI=1S/C3H5NO5/c1-3(9-7)2-8-4(5)6/h2H2,1H3 	 135.0755 
 CHOCOHCO 	 [O]C(CO)C=O 	 InChI=1S/C3H5O3/c4-1-3(6)2-5/h1,3,5H,2H2 	 89.0700 
 C919NO3 	 O=CCC(=O)C(CC=O)C(C)(C)ON(=O)=O 	 InChI=1S/C9H13NO6/c1-9(2,16-10(14)15)7(3-5-11)8(13)4-6-12/h5-7H,3-4H2,1-2H3 	 231.2026 
 EBNZOHNO2 	 CCc1cccc(N(=O)=O)c1O 	 InChI=1S/C8H9NO3/c1-2-6-4-3-5-7(8(6)10)9(11)12/h3-5,10H,2H2,1H3 	 167.1620 
 HO6C7OOH 	 CCCCCC(O)COO 	 InChI=1S/C7H16O3/c1-2-3-4-5-7(8)6-10-9/h7-9H,2-6H2,1H3 	 148.2001 
 IC7DCOH 	 O=CC(O)C(O)C(=O)C(C)C 	 InChI=1S/C7H12O4/c1-4(2)6(10)7(11)5(9)3-8/h3-5,7,9,11H,1-2H3 	 160.1678 
 C917O2 	 [O]OC(C)(C)C1CC(=O)CCC1=O 	 InChI=1S/C9H13O4/c1-9(2,13-12)7-5-6(10)3-4-8(7)11/h7H,3-5H2,1-2H3 	 185.1971 
 C926OH 	 O=CCC(O)(CCC(=O)C)C(=O)C 	 InChI=1S/C9H14O4/c1-7(11)3-4-9(13,5-6-10)8(2)12/h6,13H,3-5H2,1-2H3 	 186.2051 
 MBOAOH 	 OCC(O)C(C)(C)O 	 InChI=1S/C5H12O3/c1-5(2,8)4(7)3-6/h4,6-8H,3H2,1-2H3 	 120.1470 
 C4ME2NO3O 	 O=N(=O)OC(C)(C)C(C)(C)[O] 	 InChI=1S/C6H12NO4/c1-5(2,8)6(3,4)11-7(9)10/h1-4H3 	 162.1638 
 C148OOH 	 O=CCC(OO)C(=O)C1CC(C)(C)C1CCC(=O)OC 	 InChI=1S/C14H22O6/c1-14(2)8-9(10(14)4-5-12(16)19-3)13(17)11(20-18)6-7-15/h7,9-11,18H,4-6,8H2,1-3H3 	 286.1416 
 NDNIPBZLO 	 O=N(=O)OC1C2(OOC1(C(C)C)C([O])(O)C(=C2)N(=O)=O)N(=O)=O 	 InChI=1S/C9H10N3O11/c1-4(2)8-6(21-12(19)20)7(11(17)18,22-23-8)3-5(10(15)16)9(8,13)14/h3-4,6,13H,1-2H3 	 336.1892 
 MPHCOME 	 CC(=O)c1ccccc1C 	 InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3 	 134.1751 
 IC7DCO2 	 [O]OC(C(O)C=O)C(=O)C(C)C 	 InChI=1S/C7H11O5/c1-4(2)6(10)7(12-11)5(9)3-8/h3-5,7,9H,1-2H3 	 175.1592 
 METLQO 	 CCC1=CC(=O)C(O)C(C)([O])C1=O 	 InChI=1S/C9H11O4/c1-3-5-4-6(10)8(12)9(2,13)7(5)11/h4,8,12H,3H2,1-2H3 	 183.1812 
 C917OH 	 O=C1CCC(=O)C(C1)C(C)(C)O 	 InChI=1S/C9H14O3/c1-9(2,12)7-5-6(10)3-4-8(7)11/h7,12H,3-5H2,1-2H3 	 170.2057 
 NTLFUO2 	 [O]OC1C(=O)OC(C)C1ON(=O)=O 	 InChI=1S/C5H6NO7/c1-2-3(12-6(8)9)4(13-10)5(7)11-2/h2-4H,1H3 	 192.1036 
 TLBIPER2OH 	 OC1C=CC2(C)OOC1C2O 	 InChI=1S/C7H10O4/c1-7-3-2-4(8)5(6(7)9)10-11-7/h2-6,8-9H,1H3 	 158.1519 
 ACCOMCOMO2 	 [O]OCC(=O)CC(=O)OC(=O)C 	 InChI=1S/C6H7O6/c1-4(7)12-6(9)2-5(8)3-11-10/h2-3H2,1H3 	 175.1162 
 HYPERACET 	 CC(=O)COO 	 InChI=1S/C3H6O3/c1-3(4)2-6-5/h5H,2H2,1H3 	 90.0779 
 C5MO132OH 	 O=CC(O)C(=O)C(C)C 	 InChI=1S/C6H10O3/c1-4(2)6(9)5(8)3-7/h3-5,8H,1-2H3 	 130.1418 
 MIPK 	 CC(=O)C(C)C 	 InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3 	 86.1323 
 C930OH 	 O=CCCC(=O)C(=O)CC(C)(C)O 	 InChI=1S/C9H14O4/c1-9(2,13)6-8(12)7(11)4-3-5-10/h5,13H,3-4,6H2,1-2H3 	 186.2051 
 BCALO2 	 O=CCCC(CO)(O[O])C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C15H25O5/c1-11(18)5-6-12-13(9-14(12,2)3)15(10-17,20-19)7-4-8-16/h8,12-13,17H,4-7,9-10H2,1-3H3 	 285.3560 
 INB1NACO3H 	 OOC(=O)C(ON(=O)=O)C(C)(CO)ON(=O)=O 	 InChI=1S/C5H8N2O10/c1-5(2-8,17-7(12)13)3(4(9)16-14)15-6(10)11/h3,8,14H,2H2,1H3 	 256.1244 
 IEACO3H 	 CC(O)(C1CO1)C(=O)OO 	 InChI=1S/C5H8O5/c1-5(7,3-2-9-3)4(6)10-8/h3,7-8H,2H2,1H3 	 148.1140 
 DEMPHOH 	 CCc1cc(CC)c(O)c(C)c1 	 InChI=1S/C11H16O/c1-4-9-6-8(3)11(12)10(5-2)7-9/h6-7,12H,4-5H2,1-3H3 	 164.2441 
 BCALCO2 	 [O]OC(C=O)CC(=C)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C15H23O4/c1-10(7-12(9-16)19-18)13-8-15(3,4)14(13)6-5-11(2)17/h9,12-14H,1,5-8H2,2-4H3 	 267.3407 
 MEMOXYPAN 	 COCC(=O)OON(=O)=O 	 InChI=1S/C3H5NO6/c1-8-2-3(5)9-10-4(6)7/h2H2,1H3 	 151.0749 
 C918O2 	 O=CCC(=O)C1CC(O[O])C1(C)C 	 InChI=1S/C9H13O4/c1-9(2)6(5-8(9)13-12)7(11)3-4-10/h4,6,8H,3,5H2,1-2H3 	 185.1971 
 C717OH 	 O=CCC(O)CC(=O)C(=O)C 	 InChI=1S/C7H10O4/c1-5(9)7(11)4-6(10)2-3-8/h3,6,10H,2,4H2,1H3 	 158.1519 
 MALNHYOHCO 	 O=C1OC(=O)C(O)C1=O 	 InChI=1S/C4H2O5/c5-1-2(6)4(8)9-3(1)7/h1,5H 	 130.0557 
 C131NO3 	 CC(=O)CCC1C(CC1(C)C)C(=O)CCO[N+](=O)[O-] 	 InChI=1S/C13H21NO5/c1-9(15)4-5-11-10(8-13(11,2)3)12(16)6-7-19-14(17)18/h10-11H,4-8H2,1-3H3 	 271.3095 
 C41O2 	 OCC(O[O])C(O)C=O 	 InChI=1S/C4H7O5/c5-1-3(7)4(2-6)9-8/h1,3-4,6-7H,2H2 	 135.0954 
 BOX2MO2 	 CCCCOCO[O] 	 InChI=1S/C5H11O3/c1-2-3-4-7-5-8-6/h2-5H2,1H3 	 119.1390 
 BUTDAO 	 OCC=CC[O] 	 InChI=1S/C4H7O2/c5-3-1-2-4-6/h1-2,5H,3-4H2 	 87.0972 
 C918OH 	 O=CCC(=O)C1CC(O)C1(C)C 	 InChI=1S/C9H14O3/c1-9(2)6(5-8(9)12)7(11)3-4-10/h4,6,8,12H,3,5H2,1-2H3 	 170.2057 
 BCALCOH 	 O=CC(O)CC(=C)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C15H24O3/c1-10(7-12(18)9-16)13-8-15(3,4)14(13)6-5-11(2)17/h9,12-14,18H,1,5-8H2,2-4H3 	 252.3493 
 IC3H7O2 	 [O]OC(C)C 	 InChI=1S/C3H7O2/c1-3(2)5-4/h3H,1-2H3 	 75.0865 
 HC3CCHO 	 C=CC(O)C=O 	 InChI=1S/C4H6O2/c1-2-4(6)3-5/h2-4,6H,1H2 	 86.0892 
 CHOC2H4O 	 [O]CCC=O 	 InChI=1S/C3H5O2/c4-2-1-3-5/h2H,1,3H2 	 73.0706 
 CO25C74O2 	 [O]OC(CC(=O)C)C(=O)CC 	 InChI=1S/C7H11O4/c1-3-6(9)7(11-10)4-5(2)8/h7H,3-4H2,1-2H3 	 159.1598 
 C920OOH 	 OOCC1CC(C(=O)CO)C1(C)C 	 InChI=1S/C9H16O4/c1-9(2)6(5-13-12)3-7(9)8(11)4-10/h6-7,10,12H,3-5H2,1-2H3 	 188.2209 
 C930O2 	 O=CCCC(=O)C(=O)CC(C)(C)O[O] 	 InChI=1S/C9H13O5/c1-9(2,14-13)6-8(12)7(11)4-3-5-10/h5H,3-4,6H2,1-2H3 	 201.1965 
 BCALOH 	 O=CCCC(O)(CO)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C15H26O4/c1-11(18)5-6-12-13(9-14(12,2)3)15(19,10-17)7-4-8-16/h8,12-13,17,19H,4-7,9-10H2,1-3H3 	 270.3645 
 C928CO2H 	 CC(=O)CCC(=O)C(C)(C)CC(=O)O 	 InChI=1S/C10H16O4/c1-7(11)4-5-8(12)10(2,3)6-9(13)14/h4-6H2,1-3H3,(H,13,14) 	 200.2316 
 PXNNCATOOH 	 OOC1(O)C(=C(C)C2(OOC1(C)C2ON(=O)=O)N(=O)=O)O 	 InChI=1S/C8H10N2O11/c1-3-4(11)8(12,19-17)6(2)5(18-10(15)16)7(3,9(13)14)21-20-6/h5,11-12,17H,1-2H3 	 310.1718 
 NPXYOL1O 	 Cc1ccc(C)c(N(=O)=O)c1[O] 	 InChI=1S/C8H8NO3/c1-5-3-4-6(2)8(10)7(5)9(11)12/h3-4H,1-2H3 	 166.1540 
 C1214O2 	 O=CCCC(=O)C1(O[O])CC(C)(C)C1CCO 	 InChI=1S/C12H19O5/c1-11(2)8-12(17-16,9(11)5-7-14)10(15)4-3-6-13/h6,9,14H,3-5,7-8H2,1-2H3 	 243.2763 
 NMXYQOOH 	 OOC1(C)C(ON(=O)=O)C(=O)C=C(C)C1=O 	 InChI=1S/C8H9NO7/c1-4-3-5(10)7(15-9(12)13)8(2,16-14)6(4)11/h3,7,14H,1-2H3 	 231.1596 
 CO2N3CHO 	 O=CC(ON(=O)=O)C(=O)C 	 InChI=1S/C4H5NO5/c1-3(7)4(2-6)10-5(8)9/h2,4H,1H3 	 147.0862 
 C107OH 	 O=CCC1CC(O)(C(=O)C)C1(C)C 	 InChI=1S/C10H16O3/c1-7(12)10(13)6-8(4-5-11)9(10,2)3/h5,8,13H,4,6H2,1-3H3 	 184.2322 
 MXCTEC1OOH 	 OOc1c(C)cc(C)cc1O 	 InChI=1S/C8H10O3/c1-5-3-6(2)8(11-10)7(9)4-5/h3-4,9-10H,1-2H3 	 154.1632 
 CO35C5CHO 	 CCC(=O)CC(=O)C=O 	 InChI=1S/C6H8O3/c1-2-5(8)3-6(9)4-7/h4H,2-3H2,1H3 	 128.1259 
 OET1OOH 	 CCc1c(OO)cccc1C 	 InChI=1S/C9H12O2/c1-3-8-7(2)5-4-6-9(8)11-10/h4-6,10H,3H2,1-2H3 	 152.1904 
 MC6CO2OH 	 O=CC=CC(C)(O)C(=O)C 	 InChI=1S/C7H10O3/c1-6(9)7(2,10)4-3-5-8/h3-5,10H,1-2H3 	 142.1525 
 C813O 	 OCC(CC(=O)C(=O)O)C(C)(C)[O] 	 InChI=1S/C8H13O5/c1-8(2,13)5(4-9)3-6(10)7(11)12/h5,9H,3-4H2,1-2H3,(H,11,12) 	 189.1858 
 NLMKAOOH 	 OOC1(C)CCC(CC1O[N+](=O)[O-])C(=O)C 	 InChI=1S/C9H15NO6/c1-6(11)7-3-4-9(2,16-14)8(5-7)15-10(12)13/h7-8,14H,3-5H2,1-2H3 	 233.2185 
 C711O 	 [O]CC(=O)CC(C)(O)CC 	 InChI=1S/C7H13O3/c1-3-7(2,10)4-6(9)5-8/h10H,3-5H2,1-2H3 	 145.1763 
 OETLQCO 	 CCC1=C(C)C(=O)C(=O)C(O)C1=O 	 InChI=1S/C9H10O4/c1-3-5-4(2)6(10)8(12)9(13)7(5)11/h9,13H,3H2,1-2H3 	 182.1733 
 C3M2COCO2H 	 O=CC(=C(C)C(=O)O)C 	 InChI=1S/C6H8O3/c1-4(3-7)5(2)6(8)9/h3H,1-2H3,(H,8,9) 	 128.1259 
 MC6CO2O2 	 O=CC=CC(C)(O[O])C(=O)C 	 InChI=1S/C7H9O4/c1-6(9)7(2,11-10)4-3-5-8/h3-5H,1-2H3 	 157.1440 
 BCLKACO 	 O=CCCC(=O)C1CC(C)(C)C1CC(=O)C(=O)C 	 InChI=1S/C14H20O4/c1-9(16)13(18)7-11-10(8-14(11,2)3)12(17)5-4-6-15/h6,10-11H,4-5,7-8H2,1-3H3 	 252.3062 
 HOIPRCO3H 	 OCC(C)C(=O)OO 	 InChI=1S/C4H8O4/c1-3(2-5)4(6)8-7/h3,5,7H,2H2,1H3 	 120.1039 
 C721CO3H 	 OOC(=O)C1CC(C(=O)O)C1(C)C 	 InChI=1S/C8H12O5/c1-8(2)4(6(9)10)3-5(8)7(11)13-12/h4-5,12H,3H2,1-2H3,(H,9,10) 	 188.1779 
 BOXEOHANO3 	 OCCOC(CCC)ON(=O)=O 	 InChI=1S/C6H13NO5/c1-2-3-6(11-5-4-8)12-7(9)10/h6,8H,2-5H2,1H3 	 179.1711 
 C731CO3 	 O=CCC(CCC(=O)O[O])C(=O)C 	 InChI=1S/C8H11O5/c1-6(10)7(4-5-9)2-3-8(11)13-12/h5,7H,2-4H2,1H3 	 187.1699 
 C731CO2 	 O=CCC(CCC(=O)[O])C(=O)C 	 InChI=1S/C8H11O4/c1-6(10)7(4-5-9)2-3-8(11)12/h5,7H,2-4H2,1H3 	 171.1705 
 C6135COO 	 [O]CC(=O)CC(=O)CC=O 	 InChI=1S/C6H7O4/c7-2-1-5(9)3-6(10)4-8/h2H,1,3-4H2 	 143.1174 
 CCL3OOH 	 OOC(Cl)(Cl)Cl 	 InChI=1S/CHCl3O2/c2-1(3,4)6-5/h5H 	 151.3764 
 C1214OH 	 O=CCCC(=O)C1(O)CC(C)(C)C1CCO 	 InChI=1S/C12H20O4/c1-11(2)8-12(16,9(11)5-7-14)10(15)4-3-6-13/h6,9,14,16H,3-5,7-8H2,1-2H3 	 228.2848 
 C626NO3 	 O=CCC(CO[N+](=O)[O-])C(=O)C 	 InChI=1S/C6H9NO5/c1-5(9)6(2-3-8)4-12-7(10)11/h3,6H,2,4H2,1H3 	 175.1394 
 C144OOH 	 O=CCC(CO)(OO)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H24O5/c1-10(17)4-5-11-12(8-13(11,2)3)14(9-16,19-18)6-7-15/h7,11-12,16,18H,4-6,8-9H2,1-3H3 	 272.3374 
 CO356OCO2 	 CC(O[O])C(=O)OC(=O)C(=O)C 	 InChI=1S/C6H7O6/c1-3(7)5(8)11-6(9)4(2)12-10/h4H,1-2H3 	 175.1162 
 HM22C3O 	 OCC(C)(C)C[O] 	 InChI=1S/C5H11O2/c1-5(2,3-6)4-7/h6H,3-4H2,1-2H3 	 103.1396 
 PRONO3AO 	 [O]CC(C)ON(=O)=O 	 InChI=1S/C3H6NO4/c1-3(2-5)8-4(6)7/h3H,2H2,1H3 	 120.0840 
 CH2BROOH 	 OOCBr 	 InChI=1S/CH3BrO2/c2-1-4-3/h3H,1H2 	 126.9373 
 HO3C86OOH 	 CCC(O)CCC(CC)OO 	 InChI=1S/C8H18O3/c1-3-7(9)5-6-8(4-2)11-10/h7-10H,3-6H2,1-2H3 	 162.2267 
 C145O 	 OCCC([O])(CO)C(=O)CC(C)(C)C(=O)CCC(=O)C 	 InChI=1S/C14H23O6/c1-10(17)4-5-11(18)13(2,3)8-12(19)14(20,9-16)6-7-15/h15-16H,4-9H2,1-3H3 	 287.3288 
 C66O 	 OCC(C)C(=O)C(C)[O] 	 InChI=1S/C6H11O3/c1-4(3-7)6(9)5(2)8/h4-5,7H,3H2,1-2H3 	 131.1497 
 BOX2EOHBO 	 CCCCOC([O])CO 	 InChI=1S/C6H13O3/c1-2-3-4-9-6(8)5-7/h6-7H,2-5H2,1H3 	 133.1656 
 ACETC2PAN 	 O=C(CCOC(=O)C)OON(=O)=O 	 InChI=1S/C5H7NO7/c1-4(7)11-3-2-5(8)12-13-6(9)10/h2-3H2,1H3 	 193.1116 
 C4MCNO3OOH 	 OOCC(C)(ON(=O)=O)C(=O)C 	 InChI=1S/C5H9NO6/c1-4(7)5(2,3-11-10)12-6(8)9/h10H,3H2,1-2H3 	 179.1281 
 C926O 	 O=CCC([O])(CCC(=O)C)C(=O)C 	 InChI=1S/C9H13O4/c1-7(11)3-4-9(13,5-6-10)8(2)12/h6H,3-5H2,1-2H3 	 185.1971 
 BUTDBNO3 	 OCC(C=C)ON(=O)=O 	 InChI=1S/C4H7NO4/c1-2-4(3-6)9-5(7)8/h2,4,6H,1,3H2 	 133.1027 
 IPRHOCO3 	 [O]OC(=O)C(C)(C)O 	 InChI=1S/C4H7O4/c1-4(2,6)3(5)8-7/h6H,1-2H3 	 119.0960 
 TMB2FUO 	 CC1OC(=O)C(C)([O])C1(C)O 	 InChI=1S/C7H11O4/c1-4-6(2,9)7(3,10)5(8)11-4/h4,9H,1-3H3 	 159.1598 
 C6H5CO3 	 [O]OC(=O)c1ccccc1 	 InChI=1S/C7H5O3/c8-7(10-9)6-4-2-1-3-5-6/h1-5H 	 137.1128 
 INB2OOH 	 OOCC(O)C(C)(CO)ON(=O)=O 	 InChI=1S/C5H11NO7/c1-5(3-7,13-6(9)10)4(8)2-12-11/h4,7-8,11H,2-3H2,1H3 	 197.1433 
 DMSO 	 CS(=O)C 	 InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 	 78.1334 
 C824OOH 	 OCCC(C(=C)C)C(OO)C=O 	 InChI=1S/C8H14O4/c1-6(2)7(3-4-9)8(5-10)12-11/h5,7-9,11H,1,3-4H2,2H3 	 174.1944 
 HO1MC5NO3 	 OCC(C)CC(C)ON(=O)=O 	 InChI=1S/C6H13NO4/c1-5(4-8)3-6(2)11-7(9)10/h5-6,8H,3-4H2,1-2H3 	 163.1717 
 HEXCOH 	 CCCC(O)CC 	 InChI=1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3 	 102.1748 
 C1313OOH 	 O=CCCC(CO)(OO)C1CC(C)(C)C1CC=O 	 InChI=1S/C13H22O5/c1-12(2)8-11(10(12)4-7-15)13(9-16,18-17)5-3-6-14/h6-7,10-11,16-17H,3-5,8-9H2,1-2H3 	 258.3108 
 MTBEBCO3 	 [O]OC(=O)C(C)(C)OC 	 InChI=1S/C5H9O4/c1-5(2,8-3)4(6)9-7/h1-3H3 	 133.1226 
 INB1HPCHO 	 OOC(C=O)C(C)(CO)ON(=O)=O 	 InChI=1S/C5H9NO7/c1-5(3-8,13-6(9)10)4(2-7)12-11/h2,4,8,11H,3H2,1H3 	 195.1275 
 CO3C4NO3O 	 O=N(=O)OCC(=O)C(C)[O] 	 InChI=1S/C4H6NO5/c1-3(6)4(7)2-10-5(8)9/h3H,2H2,1H3 	 148.0941 
 CO2N3PAN 	 O=N(=O)OOC(=O)C(ON(=O)=O)C(=O)C 	 InChI=1S/C4H4N2O9/c1-2(7)3(13-5(9)10)4(8)14-15-6(11)12/h3H,1H3 	 224.0826 
 C2H5CHOOB 	 [O-][O+]=CCC 	 InChI=1S/C3H6O2/c1-2-3-5-4/h3H,2H2,1H3 	 74.0785 
 TM135OXMUC 	 O=CC1(C)OC1C(=CC(=O)C)C 	 InChI=1S/C9H12O3/c1-6(4-7(2)11)8-9(3,5-10)12-8/h4-5,8H,1-3H3 	 168.1898 
 H1C23C4O2 	 [O]OCC(=O)C(=O)CO 	 InChI=1S/C4H5O5/c5-1-3(6)4(7)2-9-8/h5H,1-2H2 	 133.0795 
 C2H5CHOOA 	 [O-][O+]=CCC 	 InChI=1S/C3H6O2/c1-2-3-5-4/h3H,2H2,1H3 	 74.0785 
 C76OOH 	 OOCC(=O)CC(O)C(C)C 	 InChI=1S/C7H14O4/c1-5(2)7(9)3-6(8)4-11-10/h5,7,9-10H,3-4H2,1-2H3 	 162.1837 
 BUTAL2O 	 CCC([O])C=O 	 InChI=1S/C4H7O2/c1-2-4(6)3-5/h3-4H,2H2,1H3 	 87.0972 
 C52NO33O 	 CCC([O])C(C)ON(=O)=O 	 InChI=1S/C5H10NO4/c1-3-5(7)4(2)10-6(8)9/h4-5H,3H2,1-2H3 	 148.1372 
 HCOCH2O2 	 [O]OCC=O 	 InChI=1S/C2H3O3/c3-1-2-5-4/h1H,2H2 	 75.0434 
 T123NNCTO 	 O=N(=O)OC1(C)C2(C)OOC1(C)C([O])(O)C(=C2N(=O)=O)O 	 InChI=1S/C9H11N2O10/c1-6-4(10(15)16)5(12)9(13,14)8(3,21-20-6)7(6,2)19-11(17)18/h12-13H,1-3H3 	 307.1910 
 CH3CCL3 	 CC(Cl)(Cl)Cl 	 InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3 	 133.4042 
 IEB2O2 	 [O]OC(C=O)C(C)(O)CO 	 InChI=1S/C5H9O5/c1-5(8,3-7)4(2-6)10-9/h2,4,7-8H,3H2,1H3 	 149.1220 
 HO1MC5O2 	 OCC(C)CC(C)O[O] 	 InChI=1S/C6H13O3/c1-5(4-7)3-6(2)9-8/h5-7H,3-4H2,1-2H3 	 133.1656 
 CL12CO2H 	 OC(=O)C(Cl)CCl 	 InChI=1S/C3H4Cl2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7) 	 142.9687 
 HO2C4CO3H 	 OOC(=O)CCC(C)O 	 InChI=1S/C5H10O4/c1-4(6)2-3-5(7)9-8/h4,6,8H,2-3H2,1H3 	 134.1305 
 HEXCO2 	 CCCC(CC)O[O] 	 InChI=1S/C6H13O2/c1-3-5-6(4-2)8-7/h6H,3-5H2,1-2H3 	 117.1662 
 C3DIALOOH 	 OOC(C=O)C=O 	 InChI=1S/C3H4O4/c4-1-3(2-5)7-6/h1-3,6H 	 104.0615 
 PHCHOOA 	 [O-][O+]=Cc1ccccc1 	 InChI=1S/C7H6O2/c8-9-6-7-4-2-1-3-5-7/h1-6H 	 122.1213 
 CATECHOL 	 Oc1ccccc1O 	 InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H 	 110.1106 
 C4M2AL2OH 	 O=CC(O)C(C)(O)C=O 	 InChI=1S/C5H8O4/c1-5(9,3-7)4(8)2-6/h2-4,8-9H,1H3 	 132.1146 
 C712OH 	 CC(=O)CC(C)(O)C(C)O 	 InChI=1S/C7H14O3/c1-5(8)4-7(3,10)6(2)9/h6,9-10H,4H2,1-3H3 	 146.1843 
 HO8C9CO3H 	 CCCCCCCC(O)CC(=O)OO 	 InChI=1S/C10H20O4/c1-2-3-4-5-6-7-9(11)8-10(12)14-13/h9,11,13H,2-8H2,1H3 	 204.2634 
 C3MNO3CO3H 	 OOC(=O)C(ON(=O)=O)C(C)C 	 InChI=1S/C5H9NO6/c1-3(2)4(5(7)12-10)11-6(8)9/h3-4,10H,1-2H3 	 179.1281 
 CYHEXOLAO2 	 [O]OC1CCCCC1O 	 InChI=1S/C6H11O3/c7-5-3-1-2-4-6(5)9-8/h5-7H,1-4H2 	 131.1497 
 NBCKOOH 	 OOC1(C)CCC2C(CC2(C)C)C(=O)CCC1O[N+](=O)[O-] 	 InChI=1S/C14H23NO6/c1-13(2)8-9-10(13)6-7-14(3,21-19)12(20-15(17)18)5-4-11(9)16/h9-10,12,19H,4-8H2,1-3H3 	 301.3355 
 IPRBQO 	 O=C1C=C(C(C)C)C(=O)C(O)C1[O] 	 InChI=1S/C9H11O4/c1-4(2)5-3-6(10)8(12)9(13)7(5)11/h3-4,8-9,13H,1-2H3 	 183.1812 
 DMEBPROOH 	 OOC1C(=CC2(CC)OOC1(C)C2O)C 	 InChI=1S/C10H16O5/c1-4-10-5-6(2)7(13-12)9(3,8(10)11)14-15-10/h5,7-8,11-12H,4H2,1-3H3 	 216.2310 
 CO24C6OOH 	 CC(OO)C(=O)CC(=O)C 	 InChI=1S/C6H10O4/c1-4(7)3-6(8)5(2)10-9/h5,9H,3H2,1-2H3 	 146.1412 
 C712O2 	 [O]OC(C)(CC(=O)C)C(C)O 	 InChI=1S/C7H13O4/c1-5(8)4-7(3,11-10)6(2)9/h6,9H,4H2,1-3H3 	 161.1757 
 DIBRETO2 	 [O]OC(Br)CBr 	 InChI=1S/C2H3Br2O2/c3-1-2(4)6-5/h2H,1H2 	 218.8520 
 C96CO3 	 [O]OC(=O)CC1CC(C(=O)C)C1(C)C 	 InChI=1S/C10H15O4/c1-6(11)8-4-7(10(8,2)3)5-9(12)14-13/h7-8H,4-5H2,1-3H3 	 199.2237 
 H3C25C6CO3 	 [O]OC(=O)CC(=O)CC(O)C(=O)C 	 InChI=1S/C7H9O6/c1-4(8)6(10)2-5(9)3-7(11)13-12/h6,10H,2-3H2,1H3 	 189.1428 
 APINCNO3 	 O=N(=O)OC(C)(C)C1CC=C(C)C(O)C1 	 InChI=1S/C10H17NO4/c1-7-4-5-8(6-9(7)12)10(2,3)15-11(13)14/h4,8-9,12H,5-6H2,1-3H3 	 215.2463 
 IPRACNO3 	 CC(=O)OC(C)(C)ON(=O)=O 	 InChI=1S/C5H9NO5/c1-4(7)10-5(2,3)11-6(8)9/h1-3H3 	 163.1287 
 MXYLCO2H 	 Cc1cccc(c1)C(=O)O 	 InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10) 	 136.1479 
 EIPKAO2 	 CCC(=O)C(C)(C)O[O] 	 InChI=1S/C6H11O3/c1-4-5(7)6(2,3)9-8/h4H2,1-3H3 	 131.1497 
 ALC4DOLOOH 	 OCC(O)CC(OO)C=O 	 InChI=1S/C5H10O5/c6-2-4(8)1-5(3-7)10-9/h3-6,8-9H,1-2H2 	 150.1299 
 C727O 	 CC(=O)CCC([O])C(=O)C 	 InChI=1S/C7H11O3/c1-5(8)3-4-7(10)6(2)9/h7H,3-4H2,1-2H3 	 143.1604 
 BZEMUCCO2H 	 O=CC=CC1OC1C(=O)O 	 InChI=1S/C6H6O4/c7-3-1-2-4-5(10-4)6(8)9/h1-5H,(H,8,9) 	 142.1094 
 CO2HOC6OOH 	 CCC(O)CC(=O)COO 	 InChI=1S/C6H12O4/c1-2-5(7)3-6(8)4-10-9/h5,7,9H,2-4H2,1H3 	 148.1571 
 NOXYQO2 	 [O]OC1C(ON(=O)=O)C(=O)C(=C(C)C1=O)C 	 InChI=1S/C8H8NO7/c1-3-4(2)6(11)8(16-14)7(5(3)10)15-9(12)13/h7-8H,1-2H3 	 230.1516 
 CO2OH3MCO3 	 CC(O)(C(=O)O[O])C(=O)C 	 InChI=1S/C5H7O5/c1-3(6)5(2,8)4(7)10-9/h8H,1-2H3 	 147.1061 
 C98OOH 	 OCC(CC(=O)C(=O)C)C(C)(C)OO 	 InChI=1S/C9H16O5/c1-6(11)8(12)4-7(5-10)9(2,3)14-13/h7,10,13H,4-5H2,1-3H3 	 204.2203 
 C827CO3 	 [O]OC(=O)C(C)(C)C(=O)CCC(=O)C 	 InChI=1S/C9H13O5/c1-6(10)4-5-7(11)9(2,3)8(12)14-13/h4-5H2,1-3H3 	 201.1965 
 C43NO34O 	 CCC(C[O])ON(=O)=O 	 InChI=1S/C4H8NO4/c1-2-4(3-6)9-5(7)8/h4H,2-3H2,1H3 	 134.1106 
 C730OH 	 OCCC(C=O)C(C)(O)CO 	 InChI=1S/C7H14O4/c1-7(11,5-10)6(4-9)2-3-8/h4,6,8,10-11H,2-3,5H2,1H3 	 162.1837 
 OCCOHCOOH 	 OC(COO)C=O 	 InChI=1S/C3H6O4/c4-1-3(5)2-7-6/h1,3,5-6H,2H2 	 106.0773 
 DMEBIPNO3 	 CCC12OOC(C)(C(ON(=O)=O)C(=C1)C)C2O 	 InChI=1S/C10H15NO6/c1-4-10-5-6(2)7(15-11(13)14)9(3,8(10)12)16-17-10/h5,7-8,12H,4H2,1-3H3 	 245.2292 
 C6OH5O2 	 CCCCC(CO)O[O] 	 InChI=1S/C6H13O3/c1-2-3-4-6(5-7)9-8/h6-7H,2-5H2,1H3 	 133.1656 
 MVKOHAOOH 	 OOCC(O)C(=O)CO 	 InChI=1S/C4H8O5/c5-1-3(6)4(7)2-9-8/h4-5,7-8H,1-2H2 	 136.1033 
 CLCOCLO2 	 [O]OC(Cl)C(=O)Cl 	 InChI=1S/C2HCl2O3/c3-1(5)2(4)7-6/h2H 	 143.9335 
 BOXFORMO2 	 CCCC(O[O])OC=O 	 InChI=1S/C5H9O4/c1-2-3-5(9-7)8-4-6/h4-5H,2-3H2,1H3 	 133.1226 
 C730O2 	 OCCC(C=O)C(C)(CO)O[O] 	 InChI=1S/C7H13O5/c1-7(5-10,12-11)6(4-9)2-3-8/h4,6,8,10H,2-3,5H2,1H3 	 177.1751 
 C1211O 	 [O]CCC(=O)C1CC(C)(C)C1CCC(=O)O 	 InChI=1S/C12H19O4/c1-12(2)7-8(10(14)5-6-13)9(12)3-4-11(15)16/h8-9H,3-7H2,1-2H3,(H,15,16) 	 227.2769 
 CH3CL 	 CCl 	 InChI=1S/CH3Cl/c1-2/h1H3 	 50.4875 
 EIPKAOH 	 CCC(=O)C(C)(C)O 	 InChI=1S/C6H12O2/c1-4-5(7)6(2,3)8/h8H,4H2,1-3H3 	 116.1583 
 C94OOH 	 CCCC(=O)C(OO)CC(=O)CC 	 InChI=1S/C9H16O4/c1-3-5-8(11)9(13-12)6-7(10)4-2/h9,12H,3-6H2,1-2H3 	 188.2209 
 CH3COCO3 	 CC(=O)C(=O)O[O] 	 InChI=1S/C3H3O4/c1-2(4)3(5)7-6/h1H3 	 103.0535 
 APINCOH 	 CC1=CCC(CC1O)C(C)(C)O 	 InChI=1S/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11-12H,5-6H2,1-3H3 	 170.2487 
 PPRBQO 	 CCCC(=CC(=O)C[O])C(=O)CO.O=C1CCC(=O)C(=C1)C 	 InChI=1S/C9H13O4.C7H8O2/c1-2-3-7(9(13)6-11)4-8(12)5-10;1-5-4-6(8)2-3-7(5)9/h4,11H,2-3,5-6H2,1H3;4H,2-3H2,1H3 	 309.3343 
 H3C25C6O 	 CC(=O)C(O)CC(=O)C[O] 	 InChI=1S/C6H9O4/c1-4(8)6(10)2-5(9)3-7/h6,10H,2-3H2,1H3 	 145.1333 
 C611OH 	 CC(=O)C(C)(O)C(=O)C 	 InChI=1S/C6H10O3/c1-4(7)6(3,9)5(2)8/h9H,1-3H3 	 130.1418 
 C23C54CO3H 	 OOC(=O)C(C)C(=O)C(=O)C 	 InChI=1S/C6H8O5/c1-3(6(9)11-10)5(8)4(2)7/h3,10H,1-2H3 	 160.1247 
 IEC1O 	 OCC(=O)C(C)([O])CO 	 InChI=1S/C5H9O4/c1-5(9,3-7)4(8)2-6/h6-7H,2-3H2,1H3 	 133.1226 
 C824O2 	 OCCC(C(=C)C)C(O[O])C=O 	 InChI=1S/C8H13O4/c1-6(2)7(3-4-9)8(5-10)12-11/h5,7-9H,1,3-4H2,2H3 	 173.1864 
 NOXYOL1O2 	 [O]Oc1c(ccc(C)c1C)N(=O)=O 	 InChI=1S/C8H8NO4/c1-5-3-4-7(9(10)11)8(13-12)6(5)2/h3-4H,1-2H3 	 182.1534 
 NC623O2 	 OCC(C=O)C(C)(O[O])CO[N+](=O)[O-] 	 InChI=1S/C6H10NO7/c1-6(14-12,4-13-7(10)11)5(2-8)3-9/h2,5,9H,3-4H2,1H3 	 208.1461 
 TM123BO2 	 Cc1c(CO[O])cccc1C 	 InChI=1S/C9H11O2/c1-7-4-3-5-9(6-11-10)8(7)2/h3-5H,6H2,1-2H3 	 151.1824 
 TM123BOL 	 Cc1ccc(O)c(C)c1C 	 InChI=1S/C9H12O/c1-6-4-5-9(10)8(3)7(6)2/h4-5,10H,1-3H3 	 136.1910 
 TM123BOH 	 OCc1cccc(C)c1C 	 InChI=1S/C9H12O/c1-7-4-3-5-9(6-10)8(7)2/h3-5,10H,6H2,1-2H3 	 136.1910 
 NC623OH 	 OCC(C=O)C(C)(O)CO[N+](=O)[O-] 	 InChI=1S/C6H11NO6/c1-6(10,4-13-7(11)12)5(2-8)3-9/h2,5,9-10H,3-4H2,1H3 	 193.1546 
 C824OH 	 CC(=C)C(CCO)C(O)C=O 	 InChI=1S/C8H14O3/c1-6(2)7(3-4-9)8(11)5-10/h5,7-9,11H,1,3-4H2,2H3 	 158.1950 
 CH2CLCH2CL 	 ClCCCl 	 InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2 	 98.9592 
 C46CO3 	 OCCC(=C)C(=O)O[O] 	 InChI=1S/C5H7O4/c1-4(2-3-6)5(7)9-8/h6H,1-3H2 	 131.1067 
 EPXM2DLCO3 	 CC1(OC1(C)C=O)C(=O)O[O] 	 InChI=1S/C6H7O5/c1-5(3-7)6(2,11-5)4(8)10-9/h3H,1-2H3 	 159.1168 
 C611O2 	 [O]OC(C)(C(=O)C)C(=O)C 	 InChI=1S/C6H9O4/c1-4(7)6(3,10-9)5(2)8/h1-3H3 	 145.1333 
 BZEMUCCO3 	 [O]OC(=O)C1OC1C=CC=O 	 InChI=1S/C6H5O5/c7-3-1-2-4-5(10-4)6(8)11-9/h1-5H 	 157.1009 
 C23O3CHO 	 O=COC(=O)C(=O)C 	 InChI=1S/C4H4O4/c1-3(6)4(7)8-2-5/h2H,1H3 	 116.0722 
 APINCO2 	 [O]OC(C)(C)C1CC=C(C)C(O)C1 	 InChI=1S/C10H17O3/c1-7-4-5-8(6-9(7)11)10(2,3)13-12/h4,8-9,11H,5-6H2,1-3H3 	 185.2402 
 OCATEC1OOH 	 OOc1c(O)ccc(C)c1C 	 InChI=1S/C8H10O3/c1-5-3-4-7(9)8(11-10)6(5)2/h3-4,9-10H,1-2H3 	 154.1632 
 HO7C8O2 	 CCCCCCC(O)CO[O] 	 InChI=1S/C8H17O3/c1-2-3-4-5-6-8(9)7-11-10/h8-9H,2-7H2,1H3 	 161.2188 
 HO1C5NO3 	 OCCCC(C)ON(=O)=O 	 InChI=1S/C5H11NO4/c1-5(3-2-4-7)10-6(8)9/h5,7H,2-4H2,1H3 	 149.1451 
 PBENZOLO 	 CCCC12OOC(C2O)C([O])(O)C=C1 	 InChI=1S/C9H13O5/c1-2-3-8-4-5-9(11,12)7(6(8)10)13-14-8/h4-7,10-11H,2-3H2,1H3 	 201.1965 
 OETLBIPRO 	 CCC1([O])C=CC2OOC1(C)C2O 	 InChI=1S/C9H13O4/c1-3-9(11)5-4-6-7(10)8(9,2)13-12-6/h4-7,10H,3H2,1-2H3 	 185.1971 
 CO3C85O2 	 CCCC(O[O])CC(=O)CC 	 InChI=1S/C8H15O3/c1-3-5-8(11-10)6-7(9)4-2/h8H,3-6H2,1-2H3 	 159.2029 
 LIMAL 	 O=CCC(CCC(=O)C)C(=C)C 	 InChI=1S/C10H16O2/c1-8(2)10(6-7-11)5-4-9(3)12/h7,10H,1,4-6H2,2-3H3 	 168.2328 
 NTM123OLO2 	 [O]OC1(O)C2OOC(C)(C2ON(=O)=O)C(=C1C)C 	 InChI=1S/C9H12NO8/c1-4-5(2)9(11,17-14)7-6(15-10(12)13)8(4,3)18-16-7/h6-7,11H,1-3H3 	 262.1935 
 LIMAO 	 CC(=C)C1CCC(C)([O])C(O)C1 	 InChI=1S/C10H17O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11H,1,4-6H2,2-3H3 	 169.2408 
 IPCATECOOA 	 [O-][O+]=C(O)C(=C/C=C/C(=O)O)C(C)C 	 InChI=1S/C9H12O5/c1-6(2)7(9(12)14-13)4-3-5-8(10)11/h3-6,12H,1-2H3,(H,10,11)/b5-3+,7-4? 	 200.1886 
 PRCOFORMO 	 CC([O])CC(=O)OC=O 	 InChI=1S/C5H7O4/c1-4(7)2-5(8)9-3-6/h3-4H,2H2,1H3 	 131.1067 
 NOPINDO2 	 [O]OC1CC2CC(C1=O)C2(C)C 	 InChI=1S/C9H13O3/c1-9(2)5-3-6(9)8(10)7(4-5)12-11/h5-7H,3-4H2,1-2H3 	 169.1977 
 PROL11MO 	 CCC(C)(O)C[O] 	 InChI=1S/C5H11O2/c1-3-5(2,7)4-6/h7H,3-4H2,1-2H3 	 103.1396 
 C927OH 	 OCCC(=C)C(=O)CC(C)(C)O 	 InChI=1S/C9H16O3/c1-7(4-5-10)8(11)6-9(2,3)12/h10,12H,1,4-6H2,2-3H3 	 172.2215 
 ETBEAOOH 	 CCOC(C)(C)COO 	 InChI=1S/C6H14O3/c1-4-8-6(2,3)5-9-7/h7H,4-5H2,1-3H3 	 134.1736 
 CHCL2COOH 	 OOCC(Cl)Cl 	 InChI=1S/C2H4Cl2O2/c3-2(4)1-6-5/h2,5H,1H2 	 130.9580 
 TM123BPAN 	 O=N(=O)OOC(=O)c1cccc(C)c1C 	 InChI=1S/C9H9NO5/c1-6-4-3-5-8(7(6)2)9(11)14-15-10(12)13/h3-5H,1-2H3 	 211.1715 
 NOPINDOH 	 OC1CC2CC(C1=O)C2(C)C 	 InChI=1S/C9H14O2/c1-9(2)5-3-6(9)8(11)7(10)4-5/h5-7,10H,3-4H2,1-2H3 	 154.2063 
 C918O 	 O=CCC(=O)C1CC([O])C1(C)C 	 InChI=1S/C9H13O3/c1-9(2)6(5-8(9)12)7(11)3-4-10/h4,6,8H,3,5H2,1-2H3 	 169.1977 
 C618O2 	 O=CCC(=O)C(C)(C)O[O] 	 InChI=1S/C6H9O4/c1-6(2,10-9)5(8)3-4-7/h4H,3H2,1-2H3 	 145.1333 
 HO8C9O 	 CCCCCCCC(O)C[O] 	 InChI=1S/C9H19O2/c1-2-3-4-5-6-7-9(11)8-10/h9,11H,2-8H2,1H3 	 159.2460 
 MCOOTBO2 	 [O]OCC(C)(C)OC(=O)C 	 InChI=1S/C6H11O4/c1-5(7)10-6(2,3)4-9-8/h4H2,1-3H3 	 147.1491 
 CL12PROP 	 ClCC(C)Cl 	 InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3 	 112.9857 
 NTM123OLOH 	 O=N(=O)OC1C2OOC1(C)C(=C(C)C2(O)O)C 	 InChI=1S/C9H13NO7/c1-4-5(2)9(11,12)7-6(15-10(13)14)8(4,3)17-16-7/h6-7,11-12H,1-3H3 	 247.2020 
 C8BCOOH 	 OOC1CC2CC1C2(C)C 	 InChI=1S/C8H14O2/c1-8(2)5-3-6(8)7(4-5)10-9/h5-7,9H,3-4H2,1-2H3 	 142.1956 
 HO13C3CO3 	 OCCC(O)C(=O)O[O] 	 InChI=1S/C4H7O5/c5-2-1-3(6)4(7)9-8/h3,5-6H,1-2H2 	 135.0954 
 MIBKAO2 	 [O]OC(C)(C)CC(=O)C 	 InChI=1S/C6H11O3/c1-5(7)4-6(2,3)9-8/h4H2,1-3H3 	 131.1497 
 CO1H63OH 	 OCCCC(O)CC=O 	 InChI=1S/C6H12O3/c7-4-1-2-6(9)3-5-8/h5-7,9H,1-4H2 	 132.1577 
 CO2N3CO3H 	 OOC(=O)C(ON(=O)=O)C(=O)C 	 InChI=1S/C4H5NO7/c1-2(6)3(4(7)12-10)11-5(8)9/h3,10H,1H3 	 179.0850 
 MECOACEOOH 	 CC(=O)OC(=O)COO 	 InChI=1S/C4H6O5/c1-3(5)9-4(6)2-8-7/h7H,2H2,1H3 	 134.0874 
 CL12PRBOH 	 ClCC(C)(O)Cl 	 InChI=1S/C3H6Cl2O/c1-3(5,6)2-4/h6H,2H2,1H3 	 128.9851 
 C7BDCOOH 	 OOC(C)(C(=O)C)C(O)C(=O)C 	 InChI=1S/C7H12O5/c1-4(8)6(10)7(3,12-11)5(2)9/h6,10-11H,1-3H3 	 176.1672 
 C5OH2CO4O 	 OCC(=O)CC(C)[O] 	 InChI=1S/C5H9O3/c1-4(7)2-5(8)3-6/h4,6H,2-3H2,1H3 	 117.1232 
 LIMALBO 	 O=CCC(CCC(=O)C[O])C(=C)C 	 InChI=1S/C10H15O3/c1-8(2)9(5-6-11)3-4-10(13)7-12/h6,9H,1,3-5,7H2,2H3 	 183.2243 
 PBZMUCNO3 	 CCCC(=O)C(ON(=O)=O)C(O)C1OC1C=O 	 InChI=1S/C9H13NO7/c1-2-3-5(12)8(17-10(14)15)7(13)9-6(4-11)16-9/h4,6-9,13H,2-3H2,1H3 	 247.2020 
 SBUACBOH 	 CC(=O)OC(C)C(C)O 	 InChI=1S/C6H12O3/c1-4(7)5(2)9-6(3)8/h4-5,7H,1-3H3 	 132.1577 
 C56OOH 	 OOCC(O)C(C)CO 	 InChI=1S/C5H12O4/c1-4(2-6)5(7)3-9-8/h4-8H,2-3H2,1H3 	 136.1464 
 C630O2 	 OCCC(=C)C(=O)CO[O] 	 InChI=1S/C6H9O4/c1-5(2-3-7)6(8)4-10-9/h7H,1-4H2 	 145.1333 
 MXYLPAN 	 O=N(=O)OOC(=O)c1cccc(C)c1 	 InChI=1S/C8H7NO5/c1-6-3-2-4-7(5-6)8(10)13-14-9(11)12/h2-5H,1H3 	 197.1449 
 TCE 	 ClC(=C(Cl)Cl)Cl 	 InChI=1S/C2Cl4/c3-1(4)2(5)6 	 165.8334 
 IPNCATECO 	 O=N(=O)C1=C(O)C(O)([O])C2(OOC1C2O)C(C)C 	 InChI=1S/C9H12NO8/c1-3(2)8-7(12)5(17-18-8)4(10(15)16)6(11)9(8,13)14/h3,5,7,11-13H,1-2H3 	 262.1935 
 IPNCATECH 	 O=N(=O)c1ccc(C(C)C)c(O)c1O 	 InChI=1S/C9H11NO4/c1-5(2)6-3-4-7(10(13)14)9(12)8(6)11/h3-5,11-12H,1-2H3 	 197.1879 
 C630OH 	 OCCC(=C)C(=O)CO 	 InChI=1S/C6H10O3/c1-5(2-3-7)6(9)4-8/h7-8H,1-4H2 	 130.1418 
 C55OOH 	 OOCC(=O)C(C)(C)O 	 InChI=1S/C5H10O4/c1-5(2,7)4(6)3-9-8/h7-8H,3H2,1-2H3 	 134.1305 
 C929OH 	 OCC(C)(C)C(=O)C(O)CC(=O)C 	 InChI=1S/C9H16O4/c1-6(11)4-7(12)8(13)9(2,3)5-10/h7,10,12H,4-5H2,1-3H3 	 188.2209 
 C525O2 	 OCC(=O)C(CO)(CO)O[O] 	 InChI=1S/C5H9O6/c6-1-4(9)5(2-7,3-8)11-10/h6-8H,1-3H2 	 165.1214 
 HCOCOHCO3 	 OC(C=O)C(=O)O[O] 	 InChI=1S/C3H3O5/c4-1-2(5)3(6)8-7/h1-2,5H 	 119.0529 
 NC101OOH 	 OOC12CC(=O)C(C)(ON(=O)=O)C(C1)C2(C)C 	 InChI=1S/C10H15NO6/c1-8(2)6-4-10(8,17-15)5-7(12)9(6,3)16-11(13)14/h6,15H,4-5H2,1-3H3 	 245.2292 
 CL12PRBO2 	 CC(Cl)(CCl)O[O] 	 InChI=1S/C3H5Cl2O2/c1-3(5,2-4)7-6/h2H2,1H3 	 143.9766 
 NONOOH 	 CCCCCCC(CC)OO 	 InChI=1S/C9H20O2/c1-3-5-6-7-8-9(4-2)11-10/h9-10H,3-8H2,1-2H3 	 160.2539 
 M22C43O 	 CC([O])C(C)(C)C 	 InChI=1S/C6H13O/c1-5(7)6(2,3)4/h5H,1-4H3 	 101.1668 
 MIBKAOH 	 CC(=O)CC(C)(C)O 	 InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3 	 116.1583 
 CO1H63O2 	 OCCCC(O[O])CC=O 	 InChI=1S/C6H11O4/c7-4-1-2-6(10-9)3-5-8/h5-7H,1-4H2 	 147.1491 
 C817OOH 	 OOCC(CCC(=O)C)C(=O)C 	 InChI=1S/C8H14O4/c1-6(9)3-4-8(5-12-11)7(2)10/h8,11H,3-5H2,1-2H3 	 174.1944 
 PTNCATECO2 	 CCC12OOC(N(=O)=O)(C(=C(O)C2(O)O[O])C)C1O 	 InChI=1S/C9H12NO9/c1-3-7-6(12)8(10(14)15,19-18-7)4(2)5(11)9(7,13)17-16/h6,11-13H,3H2,1-2H3 	 278.1929 
 C813OOH 	 OCC(CC(=O)C(=O)O)C(C)(C)OO 	 InChI=1S/C8H14O6/c1-8(2,14-13)5(4-9)3-6(10)7(11)12/h5,9,13H,3-4H2,1-2H3,(H,11,12) 	 206.1932 
 HO8C9O2 	 CCCCCCCC(O)CO[O] 	 InChI=1S/C9H19O3/c1-2-3-4-5-6-7-9(10)8-12-11/h9-10H,2-8H2,1H3 	 175.2454 
 C66NO35OOH 	 CCCCC(OO)CON(=O)=O 	 InChI=1S/C6H13NO5/c1-2-3-4-6(12-10)5-11-7(8)9/h6,10H,2-5H2,1H3 	 179.1711 
 IC3H7OOH 	 OOC(C)C 	 InChI=1S/C3H8O2/c1-3(2)5-4/h3-4H,1-2H3 	 76.0944 
 SBUTACET 	 CCC(C)OC(=O)C 	 InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3 	 116.1583 
 C3H7CHOO 	 [O-][O+]=CCCC 	 InChI=1S/C4H8O2/c1-2-3-4-6-5/h4H,2-3H2,1H3 	 88.1051 
 C53NO324CO 	 O=N(=O)OC(C(=O)C)C(=O)C 	 InChI=1S/C5H7NO5/c1-3(7)5(4(2)8)11-6(9)10/h5H,1-2H3 	 161.1128 
 MTBEACHOO2 	 [O]OCC(C)(C)OC=O 	 InChI=1S/C5H9O4/c1-5(2,3-9-7)8-4-6/h4H,3H2,1-2H3 	 133.1226 
 DM35EBOOH 	 OOC(C)c1cc(C)cc(C)c1 	 InChI=1S/C10H14O2/c1-7-4-8(2)6-10(5-7)9(3)12-11/h4-6,9,11H,1-3H3 	 166.2170 
 ISOPCO 	 OCC=C(C)C[O] 	 InChI=1S/C5H9O2/c1-5(4-7)2-3-6/h2,6H,3-4H2,1H3 	 101.1238 
 BUTDCO 	 OC(C[O])C=C 	 InChI=1S/C4H7O2/c1-2-4(6)3-5/h2,4,6H,1,3H2 	 87.0972 
 MPHCOMEO 	 [O]CC(=O)c1ccccc1C 	 InChI=1S/C9H9O2/c1-7-4-2-3-5-8(7)9(11)6-10/h2-5H,6H2,1H3 	 149.1666 
 C51OOH 	 OCC(OO)CC(=O)C 	 InChI=1S/C5H10O4/c1-4(7)2-5(3-6)9-8/h5-6,8H,2-3H2,1H3 	 134.1305 
 PBENZOLOOH 	 CCCC12OOC(C2O)C(O)(OO)C=C1 	 InChI=1S/C9H14O6/c1-2-3-8-4-5-9(11,14-12)7(6(8)10)13-15-8/h4-7,10-12H,2-3H2,1H3 	 218.2039 
 EBENZ 	 CCc1ccccc1 	 InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3 	 106.1650 
 C87CO2H 	 O=CC(C(=O)CC(=O)O)C(C)(C)C=O 	 InChI=1S/C9H12O5/c1-9(2,5-11)6(4-10)7(12)3-8(13)14/h4-6H,3H2,1-2H3,(H,13,14) 	 200.1886 
 EMPHCOME 	 CCc1cc(C)cc(c1)C(=O)C 	 InChI=1S/C11H14O/c1-4-10-5-8(2)6-11(7-10)9(3)12/h5-7H,4H2,1-3H3 	 162.2283 
 C117O2 	 OCCC(=O)C1(O[O])CC(C)(C)C1CC=O 	 InChI=1S/C11H17O5/c1-10(2)7-11(16-15,8(10)3-5-12)9(14)4-6-13/h5,8,13H,3-4,6-7H2,1-2H3 	 229.2497 
 EMPHCOMO 	 [O]CC(=O)c1cc(CC)cc(C)c1 	 InChI=1S/C11H13O2/c1-3-9-4-8(2)5-10(6-9)11(13)7-12/h4-6H,3,7H2,1-2H3 	 177.2197 
 MALANHYOOH 	 OOC1C(=O)OC(=O)C1O 	 InChI=1S/C4H4O6/c5-1-2(10-8)4(7)9-3(1)6/h1-2,5,8H 	 148.0710 
 HMACO2H 	 OCC(=C)C(=O)O 	 InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h5H,1-2H2,(H,6,7) 	 102.0886 
 MEKBOOH 	 CC(OO)C(=O)C 	 InChI=1S/C4H8O3/c1-3(5)4(2)7-6/h4,6H,1-2H3 	 104.1045 
 NTM124QO 	 O=N(=O)OC1C(=O)C(=C(C)C(=O)C1(C)[O])C 	 InChI=1S/C9H10NO6/c1-4-5(2)7(12)9(3,13)8(6(4)11)16-10(14)15/h8H,1-3H3 	 228.1788 
 PETLQOH 	 CCC1(O)C(=O)C=C(C)C(=O)C1O 	 InChI=1S/C9H12O4/c1-3-9(13)6(10)4-5(2)7(11)8(9)12/h4,8,12-13H,3H2,1-2H3 	 184.1892 
 C811CO3H 	 OOC(=O)CC1CC(C(=O)O)C1(C)C 	 InChI=1S/C9H14O5/c1-9(2)5(4-7(10)14-13)3-6(9)8(11)12/h5-6,13H,3-4H2,1-2H3,(H,11,12) 	 202.2045 
 DNPXYOLOOH 	 OOC1(O)C(=C(C)C2(OOC1(C)C2O)N(=O)=O)N(=O)=O 	 InChI=1S/C8H10N2O10/c1-3-4(9(13)14)8(12,18-17)6(2)5(11)7(3,10(15)16)20-19-6/h5,11-12,17H,1-2H3 	 294.1724 
 LIMOOB 	 [O-][O+]=CCC(CCC(=O)C)C(=C)C 	 InChI=1S/C10H16O3/c1-8(2)10(6-7-13-12)5-4-9(3)11/h7,10H,1,4-6H2,2-3H3 	 184.2322 
 LIMOOA 	 O=CCC(CCC(=[O+][O-])C)C(=C)C 	 InChI=1S/C10H16O3/c1-8(2)10(6-7-11)5-4-9(3)13-12/h7,10H,1,4-6H2,2-3H3 	 184.2322 
 C713O 	 CC(=O)CC(C)([O])C(=O)C 	 InChI=1S/C7H11O3/c1-5(8)4-7(3,10)6(2)9/h4H2,1-3H3 	 143.1604 
 MTBEAOOH 	 OOCOC(C)(C)C 	 InChI=1S/C5H12O3/c1-5(2,3)7-4-8-6/h6H,4H2,1-3H3 	 120.1470 
 NTM124QOOH 	 OOC1(C)C(ON(=O)=O)C(=O)C(=C(C)C1=O)C 	 InChI=1S/C9H11NO7/c1-4-5(2)7(12)9(3,17-15)8(6(4)11)16-10(13)14/h8,15H,1-3H3 	 245.1861 
 PETLQO2 	 CCC1(O[O])C(=O)C=C(C)C(=O)C1O 	 InChI=1S/C9H11O5/c1-3-9(14-13)6(10)4-5(2)7(11)8(9)12/h4,8,12H,3H2,1-2H3 	 199.1806 
 C514CO23OH 	 O=CC(O)C(O)C(=O)C 	 InChI=1S/C5H8O4/c1-3(7)5(9)4(8)2-6/h2,4-5,8-9H,1H3 	 132.1146 
 C74O2 	 [O]OC(C)C(=O)C(=O)CC(=O)C 	 InChI=1S/C7H9O5/c1-4(8)3-6(9)7(10)5(2)12-11/h5H,3H2,1-2H3 	 173.1434 
 INAHCO2H 	 O=N(=O)OCC(O)C(C)(O)C(=O)O 	 InChI=1S/C5H9NO7/c1-5(10,4(8)9)3(7)2-13-6(11)12/h3,7,10H,2H2,1H3,(H,8,9) 	 195.1275 
 PXYBIPERO2 	 [O]OC1(C)C=CC2(C)OOC1C2O 	 InChI=1S/C8H11O5/c1-7-3-4-8(2,12-10)6(5(7)9)11-13-7/h3-6,9H,1-2H3 	 187.1699 
 OXCATECOOA 	 [O-][O+]=C(O)C(=C(C)/C=C/C(=O)O)C 	 InChI=1S/C8H10O5/c1-5(3-4-7(9)10)6(2)8(11)13-12/h3-4,11H,1-2H3,(H,9,10)/b4-3+,6-5? 	 186.1620 
 C117OH 	 OCCC(=O)C1(O)CC(C)(C)C1CC=O 	 InChI=1S/C11H18O4/c1-10(2)7-11(15,8(10)3-5-12)9(14)4-6-13/h5,8,13,15H,3-4,6-7H2,1-2H3 	 214.2582 
 H2M3C4CO3H 	 OOC(=O)CC(C)C(C)O 	 InChI=1S/C6H12O4/c1-4(5(2)7)3-6(8)10-9/h4-5,7,9H,3H2,1-2H3 	 148.1571 
 NC4EDCO2 	 O=CC(=C(CC)C(=O)[O])N(=O)=O 	 InChI=1S/C6H6NO5/c1-2-4(6(9)10)5(3-8)7(11)12/h3H,2H2,1H3 	 172.1155 
 C919O 	 O=CCC(=O)C(CC=O)C(C)(C)[O] 	 InChI=1S/C9H13O4/c1-9(2,13)7(3-5-10)8(12)4-6-11/h5-7H,3-4H2,1-2H3 	 185.1971 
 C1013O 	 COC(=O)CCC1C([O])CC1(C)C 	 InChI=1S/C10H17O3/c1-10(2)6-8(11)7(10)4-5-9(12)13-3/h7-8H,4-6H2,1-3H3 	 185.2402 
 PRONOCOPO2 	 CC(CC(=O)OCC(=O)C)O[O] 	 InChI=1S/C7H11O5/c1-5(8)4-11-7(9)3-6(2)12-10/h6H,3-4H2,1-2H3 	 175.1592 
 BCBOOA 	 O=CCCC(=[O+][O-])C1CC(C)(C)C1CCC(=O)OC 	 InChI=1S/C14H22O5/c1-14(2)9-10(12(19-17)5-4-8-15)11(14)6-7-13(16)18-3/h8,10-11H,4-7,9H2,1-3H3 	 270.3215 
 C147O 	 CC(=O)CCC1C(CC1(C)C)C(=O)C([O])CC(=O)O 	 InChI=1S/C14H21O5/c1-8(15)4-5-10-9(7-14(10,2)3)13(19)11(16)6-12(17)18/h9-11H,4-7H2,1-3H3,(H,17,18) 	 269.3135 
 NDNPXYOLO 	 O=N(=O)OC1C2(OOC1(C)C([O])(O)C(=C2C)N(=O)=O)N(=O)=O 	 InChI=1S/C8H8N3O11/c1-3-4(9(14)15)8(12,13)6(2)5(20-11(18)19)7(3,10(16)17)22-21-6/h5,12H,1-2H3 	 322.1626 
 BCBOOH 	 OOC1CCC(=C)C2CC(C)(C)C2CCC1(C)O 	 InChI=1S/C15H26O3/c1-10-5-6-13(18-17)15(4,16)8-7-12-11(10)9-14(12,2)3/h11-13,16-17H,1,5-9H2,2-4H3 	 254.3651 
 CO346C8 	 CCC(=O)CC(=O)C(=O)CC 	 InChI=1S/C8H12O3/c1-3-6(9)5-8(11)7(10)4-2/h3-5H2,1-2H3 	 156.1791 
 C7CO2DBCO3 	 O=CC(=O)C=C(CC)C(=O)O[O] 	 InChI=1S/C7H7O5/c1-2-5(7(10)12-11)3-6(9)4-8/h3-4H,2H2,1H3 	 171.1275 
 STYRENO2 	 [O]OCC(O)c1ccccc1 	 InChI=1S/C8H9O3/c9-8(6-11-10)7-4-2-1-3-5-7/h1-5,8-9H,6H2 	 153.1553 
 C5DBCO2CO3 	 [O]OC(=O)C=C(C)C(=O)C=O 	 InChI=1S/C6H5O5/c1-4(5(8)3-7)2-6(9)11-10/h2-3H,1H3 	 157.1009 
 C924O 	 OCC(CC([O])C(=O)C)C(=C)C 	 InChI=1S/C9H15O3/c1-6(2)8(5-10)4-9(12)7(3)11/h8-10H,1,4-5H2,2-3H3 	 171.2136 
 PXYQONE 	 CC1=CC(=O)C(=CC1=O)C 	 InChI=1S/C8H8O2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3 	 136.1479 
 C811O 	 [O]CC1CC(C(=O)O)C1(C)C 	 InChI=1S/C8H13O3/c1-8(2)5(4-9)3-6(8)7(10)11/h5-6H,3-4H2,1-2H3,(H,10,11) 	 157.1870 
 C816CO 	 CC(=O)CCC(=O)C(=C)C 	 InChI=1S/C8H12O2/c1-6(2)8(10)5-4-7(3)9/h1,4-5H2,2-3H3 	 140.1797 
 MPRBNO3OOH 	 OOCC(C)(C)ON(=O)=O 	 InChI=1S/C4H9NO5/c1-4(2,3-9-8)10-5(6)7/h8H,3H2,1-2H3 	 151.1180 
 C2CL3OHBO 	 [O]C(Cl)C(O)(Cl)Cl 	 InChI=1S/C2H2Cl3O2/c3-1(6)2(4,5)7/h1,7H 	 164.3951 
 C129O 	 O=CCC([O])C(=O)C1CC(C)(C)C1CC=O 	 InChI=1S/C12H17O4/c1-12(2)7-8(9(12)3-5-13)11(16)10(15)4-6-14/h5-6,8-10H,3-4,7H2,1-2H3 	 225.2610 
 NTM124OLOH 	 O=N(=O)OC1C2OOC1(C)C(O)(O)C(=C2C)C 	 InChI=1S/C9H13NO7/c1-4-5(2)9(11,12)8(3)7(15-10(13)14)6(4)16-17-8/h6-7,11-12H,1-3H3 	 247.2020 
 IC7DICARB 	 O=CC=CC(=O)C(C)C 	 InChI=1S/C7H10O2/c1-6(2)7(9)4-3-5-8/h3-6H,1-2H3 	 126.1531 
 PRONEMOXO2 	 COC(O[O])C(=O)C 	 InChI=1S/C4H7O4/c1-3(5)4(7-2)8-6/h4H,1-2H3 	 119.0960 
 PBFUCO 	 CCCC1OC(=O)C(=O)C1O 	 InChI=1S/C7H10O4/c1-2-3-4-5(8)6(9)7(10)11-4/h4-5,8H,2-3H2,1H3 	 158.1519 
 C4NO3CO3H 	 CCCC(ON(=O)=O)C(=O)OO 	 InChI=1S/C5H9NO6/c1-2-3-4(5(7)12-10)11-6(8)9/h4,10H,2-3H2,1H3 	 179.1281 
 C4DBMECO3 	 [O]OC(=O)C(=C(CC)C(=O)C=O)C 	 InChI=1S/C8H9O5/c1-3-6(7(10)4-9)5(2)8(11)13-12/h4H,3H2,1-2H3 	 185.1541 
 C6PRCO4DB 	 CCCC(=CC(=O)C=O)C(=O)C=O 	 InChI=1S/C9H10O4/c1-2-3-7(9(13)6-11)4-8(12)5-10/h4-6H,2-3H2,1H3 	 182.1733 
 C23O3ECPAN 	 CCC(OC(=O)C(=O)C)C(=O)OON(=O)=O 	 InChI=1S/C7H9NO8/c1-3-5(14-6(10)4(2)9)7(11)15-16-8(12)13/h5H,3H2,1-2H3 	 235.1483 
 BCAOOH 	 OOC1(C)CCC2C(CC2(C)C)C(=C)CCC1O 	 InChI=1S/C15H26O3/c1-10-5-6-13(16)15(4,18-17)8-7-12-11(10)9-14(12,2)3/h11-13,16-17H,1,5-9H2,2-4H3 	 254.3651 
 NPBNZOLO2 	 CCCC12OOC(C2ON(=O)=O)C(O)(O[O])C=C1 	 InChI=1S/C9H12NO8/c1-2-3-8-4-5-9(11,17-14)7(16-18-8)6(8)15-10(12)13/h4-7,11H,2-3H2,1H3 	 262.1935 
 NPBNZOLOH 	 CCCC12OOC(C2ON(=O)=O)C(O)(O)C=C1 	 InChI=1S/C9H13NO7/c1-2-3-8-4-5-9(11,12)7(16-17-8)6(8)15-10(13)14/h4-7,11-12H,2-3H2,1H3 	 247.2020 
 C113CO 	 CCCCCC(O)C(=O)CC(=O)CC 	 InChI=1S/C11H20O3/c1-3-5-6-7-10(13)11(14)8-9(12)4-2/h10,13H,3-8H2,1-2H3 	 200.2747 
 OXCATEC1O 	 Cc1ccc(O)c([O])c1C 	 InChI=1S/C8H9O2/c1-5-3-4-7(9)8(10)6(5)2/h3-4,9H,1-2H3 	 137.1559 
 C627PAN 	 O=C(CCC(=O)C)CC(=O)OO[N+](=O)[O-] 	 InChI=1S/C7H9NO7/c1-5(9)2-3-6(10)4-7(11)14-15-8(12)13/h2-4H2,1H3 	 219.1489 
 PHCOCOCO 	 [O]CC(=O)C(=O)c1ccccc1 	 InChI=1S/C9H7O3/c10-6-8(11)9(12)7-4-2-1-3-5-7/h1-5H,6H2 	 163.1501 
 RGDCO2H 	 O=CC=C(CC)C(=O)O 	 InChI=1S/C6H8O3/c1-2-5(3-4-7)6(8)9/h3-4H,2H2,1H3,(H,8,9) 	 128.1259 
 C6PAN5 	 O=N(=O)OOC(=O)C(C)CC(=O)C 	 InChI=1S/C6H9NO6/c1-4(3-5(2)8)6(9)12-13-7(10)11/h4H,3H2,1-2H3 	 191.1388 
 CHOMOHCO3 	 CC(O)(C=O)C(=O)O[O] 	 InChI=1S/C4H5O5/c1-4(7,2-5)3(6)9-8/h2,7H,1H3 	 133.0795 
 PRONEMOXOH 	 COC(O)C(=O)C 	 InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h4,6H,1-2H3 	 104.1045 
 C5OHCO4OOH 	 OOC(C)CC(=O)CO 	 InChI=1S/C5H10O4/c1-4(9-8)2-5(7)3-6/h4,6,8H,2-3H2,1H3 	 134.1305 
 HCOCH2CO2H 	 O=CCC(=O)O 	 InChI=1S/C3H4O3/c4-2-1-3(5)6/h2H,1H2,(H,5,6) 	 88.0621 
 NTM124OLO2 	 [O]OC1(O)C(=C(C)C2OOC1(C)C2ON(=O)=O)C 	 InChI=1S/C9H12NO8/c1-4-5(2)9(11,17-14)8(3)7(15-10(12)13)6(4)16-18-8/h6-7,11H,1-3H3 	 262.1935 
 MXCATECOOA 	 [O-][O+]=C(O)C(=CC(=CC(=O)O)C)C 	 InChI=1S/C8H10O5/c1-5(4-7(9)10)3-6(2)8(11)13-12/h3-4,11H,1-2H3,(H,9,10) 	 186.1620 
 IC7DCCO2 	 [O]C(=O)C=CC(=O)C(C)C 	 InChI=1S/C7H9O3/c1-5(2)6(8)3-4-7(9)10/h3-5H,1-2H3 	 141.1446 
 IC7DCCO3 	 [O]OC(=O)C=CC(=O)C(C)C 	 InChI=1S/C7H9O4/c1-5(2)6(8)3-4-7(9)11-10/h3-5H,1-2H3 	 157.1440 
 C7ADCCO3H 	 OOC(=O)C(=C(C)C(=O)C)C 	 InChI=1S/C7H10O4/c1-4(6(3)8)5(2)7(9)11-10/h10H,1-3H3 	 158.1519 
 NTM135OLO 	 O=N(=O)OC1C2(C)OOC1(C)C(O)([O])C(=C2)C 	 InChI=1S/C9H12NO7/c1-5-4-7(2)6(15-10(13)14)8(3,17-16-7)9(5,11)12/h4,6,11H,1-3H3 	 246.1941 
 MMALNHY2OH 	 O=C1OC(=O)C(C)(O)C1O 	 InChI=1S/C5H6O5/c1-5(9)2(6)3(7)10-4(5)8/h2,6,9H,1H3 	 146.0981 
 TM124MUO3H 	 CC1(OC1(C)C(=O)OO)C=CC(=O)C 	 InChI=1S/C9H12O5/c1-6(10)4-5-8(2)9(3,14-8)7(11)13-12/h4-5,12H,1-3H3 	 200.1886 
 C616OOH 	 O=CCCC(=O)C(OO)C=O 	 InChI=1S/C6H8O5/c7-3-1-2-5(9)6(4-8)11-10/h3-4,6,10H,1-2H2 	 160.1247 
 M33C4OOH 	 OOCC(C)(C)CC 	 InChI=1S/C6H14O2/c1-4-6(2,3)5-8-7/h7H,4-5H2,1-3H3 	 118.1742 
 HEPT3ONE 	 CCCCC(=O)CC 	 InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3 	 114.1855 
 C52NO31O 	 CCCC(C[O])ON(=O)=O 	 InChI=1S/C5H10NO4/c1-2-3-5(4-7)10-6(8)9/h5H,2-4H2,1H3 	 148.1372 
 PHC3OOH 	 CCC(OO)c1ccccc1 	 InChI=1S/C9H12O2/c1-2-9(11-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3 	 152.1904 
 GLYPAN 	 O=CC(=O)OON(=O)=O 	 InChI=1S/C2HNO6/c4-1-2(5)8-9-3(6)7/h1H 	 135.0324 
 NPHEN1O 	 O=N(=O)c1ccccc1[O] 	 InChI=1S/C6H4NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4H 	 138.1009 
 IC7DCCO2H 	 OC(=O)C=CC(=O)C(C)C 	 InChI=1S/C7H10O3/c1-5(2)6(8)3-4-7(9)10/h3-5H,1-2H3,(H,9,10) 	 142.1525 
 C143CO 	 OCCC(=C)C(=O)CC(C)(C)C(=O)CCC(=O)C 	 InChI=1S/C14H22O4/c1-10(7-8-15)12(17)9-14(3,4)13(18)6-5-11(2)16/h15H,1,5-9H2,2-4H3 	 254.3221 
 ACBUONAOH 	 CC(=O)CC(O)OC(=O)C 	 InChI=1S/C6H10O4/c1-4(7)3-6(9)10-5(2)8/h6,9H,3H2,1-2H3 	 146.1412 
 C79O 	 CC(O)(C[O])C(=O)CC(=O)C 	 InChI=1S/C7H11O4/c1-5(9)3-6(10)7(2,11)4-8/h11H,3-4H2,1-2H3 	 159.1598 
 PMALANHYO 	 CCCC1([O])C(O)C(=O)OC1=O 	 InChI=1S/C7H9O5/c1-2-3-7(11)4(8)5(9)12-6(7)10/h4,8H,2-3H2,1H3 	 173.1434 
 PHCOETOOH 	 OOC(C)C(=O)c1ccccc1 	 InChI=1S/C9H10O3/c1-7(12-11)9(10)8-5-3-2-4-6-8/h2-7,11H,1H3 	 166.1739 
 METLMUCOH 	 CC1(OC1C(O)C(O)C(=O)CC)C=O 	 InChI=1S/C9H14O5/c1-3-5(11)6(12)7(13)8-9(2,4-10)14-8/h4,6-8,12-13H,3H2,1-2H3 	 202.2045 
 C89O2 	 O=CCC1CC(O[O])C1(C)C 	 InChI=1S/C8H13O3/c1-8(2)6(3-4-9)5-7(8)11-10/h4,6-7H,3,5H2,1-2H3 	 157.1870 
 CO2C54CHO 	 O=CC(C)CC(=O)C 	 InChI=1S/C6H10O2/c1-5(4-7)3-6(2)8/h4-5H,3H2,1-2H3 	 114.1424 
 PROL1MCO3H 	 CC(O)(CC)C(=O)OO 	 InChI=1S/C5H10O4/c1-3-5(2,7)4(6)9-8/h7-8H,3H2,1-2H3 	 134.1305 
 C4NO32M1O2 	 [O]OCC(C)(CC)ON(=O)=O 	 InChI=1S/C5H10NO5/c1-3-5(2,4-10-9)11-6(7)8/h3-4H2,1-2H3 	 164.1366 
 CO3C75OOH 	 CCC(=O)CC(CC)OO 	 InChI=1S/C7H14O3/c1-3-6(8)5-7(4-2)10-9/h7,9H,3-5H2,1-2H3 	 146.1843 
 C147OH 	 CC(=O)CCC1C(CC1(C)C)C(=O)C(O)CC(=O)O 	 InChI=1S/C14H22O5/c1-8(15)4-5-10-9(7-14(10,2)3)13(19)11(16)6-12(17)18/h9-11,16H,4-7H2,1-3H3,(H,17,18) 	 270.3215 
 C147O2 	 [O]OC(CC(=O)O)C(=O)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H21O6/c1-8(15)4-5-10-9(7-14(10,2)3)13(18)11(20-19)6-12(16)17/h9-11H,4-7H2,1-3H3,(H,16,17) 	 285.3129 
 C519CHO 	 OCCC(C=O)C(=O)C 	 InChI=1S/C6H10O3/c1-5(9)6(4-8)2-3-7/h4,6-7H,2-3H2,1H3 	 130.1418 
 OXNNCATOOH 	 OOC1(O)C(=C(C)C2(C)OOC1(N(=O)=O)C2ON(=O)=O)O 	 InChI=1S/C8H10N2O11/c1-3-4(11)8(12,19-17)7(9(13)14)5(18-10(15)16)6(3,2)20-21-7/h5,11-12,17H,1-2H3 	 310.1718 
 C89OH 	 O=CCC1CC(O)C1(C)C 	 InChI=1S/C8H14O2/c1-8(2)6(3-4-9)5-7(8)10/h4,6-7,10H,3,5H2,1-2H3 	 142.1956 
 MC52CO2OH 	 O=CC(O)C(C)(O)C(=O)C 	 InChI=1S/C6H10O4/c1-4(8)6(2,10)5(9)3-7/h3,5,9-10H,1-2H3 	 146.1412 
 DNCRES 	 O=N(=O)c1cc(C)c(O)c(c1)N(=O)=O 	 InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3 	 198.1329 
 METLMUCO2 	 CC1(OC1C(O)C(O[O])C(=O)CC)C=O 	 InChI=1S/C9H13O6/c1-3-5(11)7(15-13)6(12)8-9(2,4-10)14-8/h4,6-8,12H,3H2,1-2H3 	 217.1959 
 EMPHCO3 	 [O]OC(=O)c1cc(CC)cc(C)c1 	 InChI=1S/C10H11O3/c1-3-8-4-7(2)5-9(6-8)10(11)13-12/h4-6H,3H2,1-2H3 	 179.1925 
 MMALANHYO 	 O=C1OC(=O)C(C)([O])C1O 	 InChI=1S/C5H5O5/c1-5(9)2(6)3(7)10-4(5)8/h2,6H,1H3 	 145.0902 
 HEX2ONBO 	 CC([O])CCC(=O)C 	 InChI=1S/C6H11O2/c1-5(7)3-4-6(2)8/h5H,3-4H2,1-2H3 	 115.1503 
 C6H13CO3H 	 CCCCCCC(=O)OO 	 InChI=1S/C7H14O3/c1-2-3-4-5-6-7(8)10-9/h9H,2-6H2,1H3 	 146.1843 
 H2M3C4CHO 	 CC(CC=O)C(C)O 	 InChI=1S/C6H12O2/c1-5(3-4-7)6(2)8/h4-6,8H,3H2,1-2H3 	 116.1583 
 HM22CO3 	 [O]OC(=O)C(C)(C)CO 	 InChI=1S/C5H9O4/c1-5(2,3-6)4(7)9-8/h6H,3H2,1-2H3 	 133.1226 
 C930OOH 	 O=CCCC(=O)C(=O)CC(C)(C)OO 	 InChI=1S/C9H14O5/c1-9(2,14-13)6-8(12)7(11)4-3-5-10/h5,13H,3-4,6H2,1-2H3 	 202.2045 
 NC72O 	 O=N(=O)OC1(C)C(=O)CC(=O)C([O])C1=O 	 InChI=1S/C7H6NO7/c1-7(15-8(13)14)4(10)2-3(9)5(11)6(7)12/h5H,2H2,1H3 	 216.1250 
 C721PAN 	 O=N(=O)OOC(=O)C1CC(C(=O)O)C1(C)C 	 InChI=1S/C8H11NO7/c1-8(2)4(6(10)11)3-5(8)7(12)15-16-9(13)14/h4-5H,3H2,1-2H3,(H,10,11) 	 233.1754 
 OETLMUCPAN 	 O=CC=CC1(C)OC1(CC)C(=O)OON(=O)=O 	 InChI=1S/C9H11NO7/c1-3-9(7(12)15-17-10(13)14)8(2,16-9)5-4-6-11/h4-6H,3H2,1-2H3 	 245.1861 
 TM124BPRO 	 OC1C2(C)C=CC(C)([O])C1(C)OO2 	 InChI=1S/C9H13O4/c1-7-4-5-8(2,11)9(3,6(7)10)13-12-7/h4-6,10H,1-3H3 	 185.1971 
 ISOPDOOH 	 OCC(OO)C(=C)C 	 InChI=1S/C5H10O3/c1-4(2)5(3-6)8-7/h5-7H,1,3H2,2H3 	 118.1311 
 C6CO34 	 CCC(=O)C(=O)CC 	 InChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3 	 114.1424 
 MTBEBCO3H 	 OOC(=O)C(C)(C)OC 	 InChI=1S/C5H10O4/c1-5(2,8-3)4(6)9-7/h7H,1-3H3 	 134.1305 
 TM124BO 	 [O]Cc1ccc(C)c(C)c1 	 InChI=1S/C9H11O/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,6H2,1-2H3 	 135.1830 
 C6134CO2OH 	 CCC(=O)C(=O)C(O)C=O 	 InChI=1S/C6H8O4/c1-2-4(8)6(10)5(9)3-7/h3,5,9H,2H2,1H3 	 144.1253 
 IC4CHOAO2 	 [O]OC(C=O)C(C)C 	 InChI=1S/C5H9O3/c1-4(2)5(3-6)8-7/h3-5H,1-2H3 	 117.1232 
 INDOOH 	 OCC(ON(=O)=O)C(C)(CO)OO 	 InChI=1S/C5H11NO7/c1-5(3-8,13-11)4(2-7)12-6(9)10/h4,7-8,11H,2-3H2,1H3 	 197.1433 
 CL12PRCOOH 	 CC(Cl)C(Cl)OO 	 InChI=1S/C3H6Cl2O2/c1-2(4)3(5)7-6/h2-3,6H,1H3 	 144.9845 
 C108O 	 O=CCC(CC(=O)C(=O)C)C(C)(C)[O] 	 InChI=1S/C10H15O4/c1-7(12)9(13)6-8(4-5-11)10(2,3)14/h5,8H,4,6H2,1-3H3 	 199.2237 
 M22C4 	 CCC(C)(C)C 	 InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3 	 86.1754 
 HO6C7CO3 	 CCCCCC(O)CC(=O)O[O] 	 InChI=1S/C8H15O4/c1-2-3-4-5-7(9)6-8(10)12-11/h7,9H,2-6H2,1H3 	 175.2023 
 DNIPBNZLO 	 O=N(=O)C1=CC2(OOC(C(C)C)(C2O)C1([O])O)N(=O)=O 	 InChI=1S/C9H11N2O9/c1-4(2)8-6(12)7(11(17)18,19-20-8)3-5(10(15)16)9(8,13)14/h3-4,6,12-13H,1-2H3 	 291.1916 
 CHCLOOA 	 [O-][O+]=CCl 	 InChI=1S/CHClO2/c2-1-4-3/h1H 	 80.4704 
 C624CO3 	 OCCC(C(=C)C)C(=O)O[O] 	 InChI=1S/C7H11O4/c1-5(2)6(3-4-8)7(9)11-10/h6,8H,1,3-4H2,2H3 	 159.1598 
 C6IPRCO4DB 	 O=CC(=O)C=C(C(C)C)C(=O)C=O 	 InChI=1S/C9H10O4/c1-6(2)8(9(13)5-11)3-7(12)4-10/h3-6H,1-2H3 	 182.1733 
 H3M3C5CO3H 	 OOC(=O)CCC(C)(O)CC 	 InChI=1S/C7H14O4/c1-3-7(2,9)5-4-6(8)11-10/h9-10H,3-5H2,1-2H3 	 162.1837 
 PXNNCATCO2 	 [O]OC1(O)C(=C(C)C2(OOC1(C)C2ON(=O)=O)N(=O)=O)O 	 InChI=1S/C8H9N2O11/c1-3-4(11)8(12,19-17)6(2)5(18-10(15)16)7(3,9(13)14)21-20-6/h5,11-12H,1-2H3 	 309.1639 
 C7MJPCO3 	 [O]OC(=O)C=C(C)C(=O)C(O)C(=O)CC 	 InChI=1S/C9H11O6/c1-3-6(10)9(13)8(12)5(2)4-7(11)15-14/h4,9,13H,3H2,1-2H3 	 215.1800 
 BUTDAOOH 	 OOCC=CCO 	 InChI=1S/C4H8O3/c5-3-1-2-4-7-6/h1-2,5-6H,3-4H2 	 104.1045 
 OXYCATECH 	 Cc1ccc(O)c(O)c1C 	 InChI=1S/C8H10O2/c1-5-3-4-7(9)8(10)6(5)2/h3-4,9-10H,1-2H3 	 138.1638 
 C131CO 	 O=CCC(=O)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C13H20O3/c1-9(15)4-5-11-10(8-13(11,2)3)12(16)6-7-14/h7,10-11H,4-6,8H2,1-3H3 	 224.2961 
 C727CO 	 CC(=O)CCC(=O)C(=O)C 	 InChI=1S/C7H10O3/c1-5(8)3-4-7(10)6(2)9/h3-4H2,1-2H3 	 142.1525 
 C830O 	 O=CCC1C([O])CC1(C)C 	 InChI=1S/C8H13O2/c1-8(2)5-7(10)6(8)3-4-9/h4,6-7H,3,5H2,1-2H3 	 141.1876 
 BCSOZNO3 	 OCC1(CCC2OOC(C)(CCC3C1CC3(C)C)O2)O[N+](=O)[O-] 	 InChI=1S/C15H25NO7/c1-13(2)8-11-10(13)4-6-14(3)20-12(21-23-14)5-7-15(11,9-17)22-16(18)19/h10-12,17H,4-9H2,1-3H3 	 331.3615 
 C66OOH 	 OCC(C)C(=O)C(C)OO 	 InChI=1S/C6H12O4/c1-4(3-7)6(8)5(2)10-9/h4-5,7,9H,3H2,1-2H3 	 148.1571 
 CO235C6 	 CC(=O)CC(=O)C(=O)C 	 InChI=1S/C6H8O3/c1-4(7)3-6(9)5(2)8/h3H2,1-2H3 	 128.1259 
 CO235C7 	 CCC(=O)CC(=O)C(=O)C 	 InChI=1S/C7H10O3/c1-3-6(9)4-7(10)5(2)8/h3-4H2,1-2H3 	 142.1525 
 PHXN 	 CCCCCC(=O)OON(=O)=O 	 InChI=1S/C6H11NO5/c1-2-3-4-5-6(8)11-12-7(9)10/h2-5H2,1H3 	 177.1552 
 ACETMECO3 	 CC(=O)OCC(=O)O[O] 	 InChI=1S/C4H5O5/c1-3(5)8-2-4(6)9-7/h2H2,1H3 	 133.0795 
 C1211NO3 	 OC(=O)CCC1C(CC1(C)C)C(=O)CCO[N+](=O)[O-] 	 InChI=1S/C12H19NO6/c1-12(2)7-8(9(12)3-4-11(15)16)10(14)5-6-19-13(17)18/h8-9H,3-7H2,1-2H3,(H,15,16) 	 273.2824 
 EIPKBOH 	 OCC(C)C(=O)CC 	 InChI=1S/C6H12O2/c1-3-6(8)5(2)4-7/h5,7H,3-4H2,1-2H3 	 116.1583 
 C1210OH 	 O=CCCC(=O)C1CC(C)(C)C1CCO 	 InChI=1S/C12H20O3/c1-12(2)8-9(10(12)5-7-14)11(15)4-3-6-13/h6,9-10,14H,3-5,7-8H2,1-2H3 	 212.2854 
 MPHGLYOX 	 O=CC(=O)c1ccccc1C 	 InChI=1S/C9H8O2/c1-7-4-2-3-5-8(7)9(11)6-10/h2-6H,1H3 	 148.1586 
 C7EDICARB 	 CCC(=O)C=CC(=O)C 	 InChI=1S/C7H10O2/c1-3-7(9)5-4-6(2)8/h4-5H,3H2,1-2H3 	 126.1531 
 DMMAO 	 COCOC[O] 	 InChI=1S/C3H7O3/c1-5-3-6-2-4/h2-3H2,1H3 	 91.0859 
 C1210O2 	 [O]OCCC1C(CC1(C)C)C(=O)CCC=O 	 InChI=1S/C12H19O4/c1-12(2)8-9(10(12)5-7-16-15)11(14)4-3-6-13/h6,9-10H,3-5,7-8H2,1-2H3 	 227.2769 
 EIPKBO2 	 CC(CO[O])C(=O)CC 	 InChI=1S/C6H11O3/c1-3-6(7)5(2)4-9-8/h5H,3-4H2,1-2H3 	 131.1497 
 NBPINBOOH 	 OOCC1(CCC2CC1C2(C)C)ON(=O)=O 	 InChI=1S/C10H17NO5/c1-9(2)7-3-4-10(6-15-14,8(9)5-7)16-11(12)13/h7-8,14H,3-6H2,1-2H3 	 231.2457 
 DFC 	 O=COC(=O)OC=O 	 InChI=1S/C3H2O5/c4-1-7-3(6)8-2-5/h1-2H 	 118.0450 
 SC4H9O2 	 CC(CC)O[O] 	 InChI=1S/C4H9O2/c1-3-4(2)6-5/h4H,3H2,1-2H3 	 89.1131 
 PXYL 	 Cc1ccc(C)cc1 	 InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3 	 106.1650 
 MACRNBPAN 	 O=N(=O)OOC(=O)C(C)(O)CON(=O)=O 	 InChI=1S/C4H6N2O9/c1-4(8,2-13-5(9)10)3(7)14-15-6(11)12/h8H,2H2,1H3 	 226.0984 
 M2HEXAOOH 	 OOC(C)CCC(C)C 	 InChI=1S/C7H16O2/c1-6(2)4-5-7(3)9-8/h6-8H,4-5H2,1-3H3 	 132.2007 
 T123NCATO2 	 [O]OC1(O)C(=C(N(=O)=O)C2(C)OOC1(C)C2(C)O)O 	 InChI=1S/C9H12NO9/c1-6-4(10(14)15)5(11)9(13,17-16)8(3,19-18-6)7(6,2)12/h11-13H,1-3H3 	 278.1929 
 INANCOCHO 	 O=CC(C)(ON(=O)=O)C(=O)CON(=O)=O 	 InChI=1S/C5H6N2O8/c1-5(3-8,15-7(12)13)4(9)2-14-6(10)11/h3H,2H2,1H3 	 222.1097 
 INAOH 	 OCC(C)(O)C(O)CON(=O)=O 	 InChI=1S/C5H11NO6/c1-5(9,3-7)4(8)2-12-6(10)11/h4,7-9H,2-3H2,1H3 	 181.1439 
 PXYLCO3 	 [O]OC(=O)c1ccc(C)cc1 	 InChI=1S/C8H7O3/c1-6-2-4-7(5-3-6)8(9)11-10/h2-5H,1H3 	 151.1394 
 C94O2 	 CCCC(=O)C(O[O])CC(=O)CC 	 InChI=1S/C9H15O4/c1-3-5-8(11)9(13-12)6-7(10)4-2/h9H,3-6H2,1-2H3 	 187.2130 
 IBUTOLOHC 	 OCC(C)CO 	 InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3 	 90.1210 
 IBUTOLOHB 	 OCC(C)(C)O 	 InChI=1S/C4H10O2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3 	 90.1210 
 ISOPAO 	 [O]CC=C(C)CO 	 InChI=1S/C5H9O2/c1-5(4-7)2-3-6/h2,7H,3-4H2,1H3 	 101.1238 
 C3DIOLO 	 OCC(O)C[O] 	 InChI=1S/C3H7O3/c4-1-3(6)2-5/h3-4,6H,1-2H2 	 91.0859 
 C718O2 	 [O]OCCC(=O)C(C)(C)C=O 	 InChI=1S/C7H11O4/c1-7(2,5-8)6(9)3-4-11-10/h5H,3-4H2,1-2H3 	 159.1598 
 UDECO2 	 CCCCCCCCC(CC)O[O] 	 InChI=1S/C11H23O2/c1-3-5-6-7-8-9-10-11(4-2)13-12/h11H,3-10H2,1-2H3 	 187.2991 
 STYRENOOH 	 OOCC(O)c1ccccc1 	 InChI=1S/C8H10O3/c9-8(6-11-10)7-4-2-1-3-5-7/h1-5,8-10H,6H2 	 154.1632 
 IEB2OOH 	 OOC(C=O)C(C)(O)CO 	 InChI=1S/C5H10O5/c1-5(8,3-7)4(2-6)10-9/h2,4,7-9H,3H2,1H3 	 150.1299 
 MGLYOOB 	 [O-][O+]=C(C)C=O 	 InChI=1S/C3H4O3/c1-3(2-4)6-5/h2H,1H3 	 88.0621 
 MGLYOOA 	 [O-][O+]=C(C)C=O 	 InChI=1S/C3H4O3/c1-3(2-4)6-5/h2H,1H3 	 88.0621 
 C6CO4M2DB 	 O=CC(=O)C(=C(C)C(=O)C=O)C 	 InChI=1S/C8H8O4/c1-5(7(11)3-9)6(2)8(12)4-10/h3-4H,1-2H3 	 168.1467 
 MXY1OOH 	 OOc1ccc(C)cc1C 	 InChI=1S/C8H10O2/c1-6-3-4-8(10-9)7(2)5-6/h3-5,9H,1-2H3 	 138.1638 
 CH3CHOO 	 [O-][O+]=CC 	 InChI=1S/C2H4O2/c1-2-4-3/h2H,1H3 	 60.0520 
 C94OH 	 CCCC(=O)C(O)CC(=O)CC 	 InChI=1S/C9H16O3/c1-3-5-8(11)9(12)6-7(10)4-2/h9,12H,3-6H2,1-2H3 	 172.2215 
 INAO2 	 OCC(C)(O[O])C(O)CON(=O)=O 	 InChI=1S/C5H10NO7/c1-5(3-7,13-11)4(8)2-12-6(9)10/h4,7-8H,2-3H2,1H3 	 196.1354 
 C77NO3 	 CC(=O)CC(ON(=O)=O)C(C)(C)O 	 InChI=1S/C7H13NO5/c1-5(9)4-6(7(2,3)10)13-8(11)12/h6,10H,4H2,1-3H3 	 191.1818 
 INCNCO3 	 [O]OC(=O)C(ON(=O)=O)C(C)(O)CON(=O)=O 	 InChI=1S/C5H7N2O10/c1-5(9,2-15-6(10)11)3(4(8)17-14)16-7(12)13/h3,9H,2H2,1H3 	 255.1165 
 C656OH 	 CCCCC(O)CO 	 InChI=1S/C6H14O2/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H3 	 118.1742 
 C66OH 	 OCC(C)C(=O)C(C)O 	 InChI=1S/C6H12O3/c1-4(3-7)6(9)5(2)8/h4-5,7-8H,3H2,1-2H3 	 132.1577 
 BPINBNO3 	 O=N(=O)OCC1(O)CCC2CC1C2(C)C 	 InChI=1S/C10H17NO4/c1-9(2)7-3-4-10(12,8(9)5-7)6-15-11(13)14/h7-8,12H,3-6H2,1-2H3 	 215.2463 
 C6145COO2 	 [O]OCC(=O)C(=O)CCC=O 	 InChI=1S/C6H7O5/c7-3-1-2-5(8)6(9)4-11-10/h3H,1-2,4H2 	 159.1168 
 C5PAN9 	 O=N(=O)OOC(=O)CC(=O)C(=O)C 	 InChI=1S/C5H5NO7/c1-3(7)4(8)2-5(9)12-13-6(10)11/h2H2,1H3 	 191.0957 
 C5PAN8 	 CCC(O)CC(=O)OON(=O)=O 	 InChI=1S/C5H9NO6/c1-2-4(7)3-5(8)11-12-6(9)10/h4,7H,2-3H2,1H3 	 179.1281 
 C5PAN5 	 OCCC(C)C(=O)OON(=O)=O 	 InChI=1S/C5H9NO6/c1-4(2-3-7)5(8)11-12-6(9)10/h4,7H,2-3H2,1H3 	 179.1281 
 C5PAN4 	 CCC(C)C(=O)OON(=O)=O 	 InChI=1S/C5H9NO5/c1-3-4(2)5(7)10-11-6(8)9/h4H,3H2,1-2H3 	 163.1287 
 C5PAN7 	 O=N(=O)OOC(=O)C(C)C(=O)C 	 InChI=1S/C5H7NO6/c1-3(4(2)7)5(8)11-12-6(9)10/h3H,1-2H3 	 177.1122 
 C5PAN6 	 O=N(=O)OOC(=O)C(C)(C)C 	 InChI=1S/C5H9NO5/c1-5(2,3)4(7)10-11-6(8)9/h1-3H3 	 163.1287 
 C5PAN1 	 CC(O)CCC(=O)OON(=O)=O 	 InChI=1S/C5H9NO6/c1-4(7)2-3-5(8)11-12-6(9)10/h4,7H,2-3H2,1H3 	 179.1281 
 C5PAN3 	 OCC(C)CC(=O)OON(=O)=O 	 InChI=1S/C5H9NO6/c1-4(3-7)2-5(8)11-12-6(9)10/h4,7H,2-3H2,1H3 	 179.1281 
 C5PAN2 	 CC(=O)CCC(=O)OON(=O)=O 	 InChI=1S/C5H7NO6/c1-4(7)2-3-5(8)11-12-6(9)10/h2-3H2,1H3 	 177.1122 
 C828CO3H 	 OOC(=O)C(C)(C)C(=O)C(=O)CC(=O)C 	 InChI=1S/C9H12O6/c1-5(10)4-6(11)7(12)9(2,3)8(13)15-14/h14H,4H2,1-3H3 	 216.1880 
 C715O 	 CC(=O)C(=O)C(C)([O])C(=O)C 	 InChI=1S/C7H9O4/c1-4(8)6(10)7(3,11)5(2)9/h1-3H3 	 157.1440 
 C5CO3OH 	 O=CC(=O)C(O)C(=O)C 	 InChI=1S/C5H6O4/c1-3(7)5(9)4(8)2-6/h2,5,9H,1H3 	 130.0987 
 NBCO 	 [O-][N+](=O)OC1CCC(=C)C2CC(C)(C)C2CCC1(C)[O] 	 InChI=1S/C15H24NO4/c1-10-5-6-13(20-16(18)19)15(4,17)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3 	 282.3554 
 BCLKAO2 	 O=CCCC(=O)C1CC(C)(C)C1CC(O[O])C(=O)C 	 InChI=1S/C14H21O5/c1-9(16)13(19-18)7-11-10(8-14(11,2)3)12(17)5-4-6-15/h6,10-11,13H,4-5,7-8H2,1-3H3 	 269.3135 
 BCLKAOH 	 O=CCCC(=O)C1CC(C)(C)C1CC(O)C(=O)C 	 InChI=1S/C14H22O4/c1-9(16)13(18)7-11-10(8-14(11,2)3)12(17)5-4-6-15/h6,10-11,13,18H,4-5,7-8H2,1-3H3 	 254.3221 
 C4OHCO3H 	 CCCC(O)C(=O)OO 	 InChI=1S/C5H10O4/c1-2-3-4(6)5(7)9-8/h4,6,8H,2-3H2,1H3 	 134.1305 
 TLEMUCNO3 	 O=CC1OC1C(O)C(ON(=O)=O)C(=O)C 	 InChI=1S/C7H9NO7/c1-3(10)6(15-8(12)13)5(11)7-4(2-9)14-7/h2,4-7,11H,1H3 	 219.1489 
 C626CO3H 	 O=CCC(CC(=O)OO)C(=O)C 	 InChI=1S/C7H10O5/c1-5(9)6(2-3-8)4-7(10)12-11/h3,6,11H,2,4H2,1H3 	 174.1513 
 OTNNCATCO2 	 CCC1=C(O)C(O)(O[O])C2(OOC1(C)C2ON(=O)=O)N(=O)=O 	 InChI=1S/C9H11N2O11/c1-3-4-5(12)9(13,20-18)8(10(14)15)6(19-11(16)17)7(4,2)21-22-8/h6,12-13H,3H2,1-2H3 	 323.1904 
 C718O 	 [O]CCC(=O)C(C)(C)C=O 	 InChI=1S/C7H11O3/c1-7(2,5-9)6(10)3-4-8/h5H,3-4H2,1-2H3 	 143.1604 
 TLFUONOOA 	 [O-][O+]=CCC(=O)OC(=O)C 	 InChI=1S/C5H6O5/c1-4(6)10-5(7)2-3-9-8/h3H,2H2,1H3 	 146.0981 
 CCLNO3O2 	 [O]OCC(Cl)ON(=O)=O 	 InChI=1S/C2H3ClNO5/c3-2(1-8-7)9-4(5)6/h2H,1H2 	 156.5019 
 C733O 	 CC(=O)C(CCO)C([O])C=O 	 InChI=1S/C7H11O4/c1-5(10)6(2-3-8)7(11)4-9/h4,6-8H,2-3H2,1H3 	 159.1598 
 C825OOH 	 OCC(CC(OO)C(=O)O)C(=C)C 	 InChI=1S/C8H14O5/c1-5(2)6(4-9)3-7(13-12)8(10)11/h6-7,9,12H,1,3-4H2,2H3,(H,10,11) 	 190.1938 
 PXYMUCCO2H 	 CC(=O)C=CC1(C)OC1C(=O)O 	 InChI=1S/C8H10O4/c1-5(9)3-4-8(2)6(12-8)7(10)11/h3-4,6H,1-2H3,(H,10,11) 	 170.1626 
 C43NO34O2 	 [O]OCC(CC)ON(=O)=O 	 InChI=1S/C4H8NO5/c1-2-4(3-9-8)10-5(6)7/h4H,2-3H2,1H3 	 150.1100 
 C5CONO34O 	 O=N(=O)OC(C(C)[O])C(=O)C 	 InChI=1S/C5H8NO5/c1-3(7)5(4(2)8)11-6(9)10/h3,5H,1-2H3 	 162.1207 
 C66O2 	 OCC(C)C(=O)C(C)O[O] 	 InChI=1S/C6H11O4/c1-4(3-7)6(8)5(2)10-9/h4-5,7H,3H2,1-2H3 	 147.1491 
 HEX3ONCO2 	 CC(O[O])C(=O)CCC 	 InChI=1S/C6H11O3/c1-3-4-6(7)5(2)9-8/h5H,3-4H2,1-2H3 	 131.1497 
 IPMALANHYO 	 O=C1OC(=O)C([O])(C(C)C)C1O 	 InChI=1S/C7H9O5/c1-3(2)7(11)4(8)5(9)12-6(7)10/h3-4,8H,1-2H3 	 173.1434 
 NCRES1O 	 O=N(=O)c1cccc(C)c1[O] 	 InChI=1S/C7H6NO3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3 	 152.1274 
 TM123OXMUC 	 CC(=O)C=CC1OC1(C)C(=O)C 	 InChI=1S/C9H12O3/c1-6(10)4-5-8-9(3,12-8)7(2)11/h4-5,8H,1-3H3 	 168.1898 
 C1310NO3 	 OCCC(=C)C(=O)CC(C)(C)C(CCC(=O)O)O[N+](=O)[O-] 	 InChI=1S/C13H21NO7/c1-9(6-7-15)10(16)8-13(2,3)11(21-14(19)20)4-5-12(17)18/h11,15H,1,4-8H2,2-3H3,(H,17,18) 	 303.3083 
 C141O 	 [O]CCC(=C)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H23O2/c1-10(7-8-15)12-9-14(3,4)13(12)6-5-11(2)16/h12-13H,1,5-9H2,2-4H3 	 223.3312 
 C101OOH 	 CCCCCC(OO)CC(=O)CC 	 InChI=1S/C10H20O3/c1-3-5-6-7-10(13-12)8-9(11)4-2/h10,12H,3-8H2,1-2H3 	 188.2640 
 IBUTALBO 	 CC(C[O])C=O 	 InChI=1S/C4H7O2/c1-4(2-5)3-6/h2,4H,3H2,1H3 	 87.0972 
 C829OOH 	 OCCC(=O)C(=O)CC(C)(C)OO 	 InChI=1S/C8H14O5/c1-8(2,13-12)5-7(11)6(10)3-4-9/h9,12H,3-5H2,1-2H3 	 190.1938 
 HO1C3NO3 	 OCCCON(=O)=O 	 InChI=1S/C3H7NO4/c5-2-1-3-8-4(6)7/h5H,1-3H2 	 121.0920 
 PETLBPR2OH 	 CCC12OOC(C2O)C(C)(O)C=C1 	 InChI=1S/C9H14O4/c1-3-9-5-4-8(2,11)7(6(9)10)12-13-9/h4-7,10-11H,3H2,1-2H3 	 186.2051 
 C922O 	 OCC(=O)C(=O)CC(CO)C(C)(C)[O] 	 InChI=1S/C9H15O5/c1-9(2,14)6(4-10)3-7(12)8(13)5-11/h6,10-11H,3-5H2,1-2H3 	 203.2124 
 BOXCHO 	 CCCCOC=O 	 InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3 	 102.1317 
 MXYMUCOOH 	 OOC(C(=O)C)C(O)C1OC1(C)C=O 	 InChI=1S/C8H12O6/c1-4(10)6(14-12)5(11)7-8(2,3-9)13-7/h3,5-7,11-12H,1-2H3 	 204.1773 
 C127O 	 OCCC(=C)C1([O])CC(C)(C)C1CC=O 	 InChI=1S/C12H19O3/c1-9(4-6-13)12(15)8-11(2,3)10(12)5-7-14/h7,10,13H,1,4-6,8H2,2-3H3 	 211.2775 
 NC91CHO 	 O=CC1(CCC2CC1C2(C)C)ON(=O)=O 	 InChI=1S/C10H15NO4/c1-9(2)7-3-4-10(6-12,8(9)5-7)15-11(13)14/h6-8H,3-5H2,1-2H3 	 213.2304 
 C3NO3COO 	 [O]CC(=O)CON(=O)=O 	 InChI=1S/C3H4NO5/c5-1-3(6)2-9-4(7)8/h1-2H2 	 134.0676 
 HO1C5O 	 OCCCC(C)[O] 	 InChI=1S/C5H11O2/c1-5(7)3-2-4-6/h5-6H,2-4H2,1H3 	 103.1396 
 HC23C4CO3H 	 OOC(=O)CC(=O)C(=O)CO 	 InChI=1S/C5H6O6/c6-2-4(8)3(7)1-5(9)11-10/h6,10H,1-2H2 	 162.0975 
 C717NO3 	 O=CCC(ON(=O)=O)CC(=O)C(=O)C 	 InChI=1S/C7H9NO6/c1-5(10)7(11)4-6(2-3-9)14-8(12)13/h3,6H,2,4H2,1H3 	 203.1495 
 NPXYQO2 	 [O]OC1(C)C(=O)C=C(C)C(=O)C1ON(=O)=O 	 InChI=1S/C8H8NO7/c1-4-3-5(10)8(2,16-14)7(6(4)11)15-9(12)13/h3,7H,1-2H3 	 230.1516 
 HEX3ONCOH 	 CCCC(=O)C(C)O 	 InChI=1S/C6H12O2/c1-3-4-6(8)5(2)7/h5,7H,3-4H2,1-2H3 	 116.1583 
 C23O3EO 	 CCC([O])OC(=O)C(=O)C 	 InChI=1S/C6H9O4/c1-3-5(8)10-6(9)4(2)7/h5H,3H2,1-2H3 	 145.1333 
 HO6C7CO3H 	 CCCCCC(O)CC(=O)OO 	 InChI=1S/C8H16O4/c1-2-3-4-5-7(9)6-8(10)12-11/h7,9,11H,2-6H2,1H3 	 176.2102 
 C733O2 	 OCCC(C(=O)C)C(O[O])C=O 	 InChI=1S/C7H11O5/c1-5(10)6(2-3-8)7(4-9)12-11/h4,6-8H,2-3H2,1H3 	 175.1592 
 M3PEAO2 	 CC(CCO[O])CC 	 InChI=1S/C6H13O2/c1-3-6(2)4-5-8-7/h6H,3-5H2,1-2H3 	 117.1662 
 C827OH 	 CC(=O)CCC(=O)C(C)(C)O 	 InChI=1S/C8H14O3/c1-6(9)4-5-7(10)8(2,3)11/h11H,4-5H2,1-3H3 	 158.1950 
 DMCO2 	 [O]OCOC(=O)OC 	 InChI=1S/C3H5O5/c1-6-3(4)7-2-8-5/h2H2,1H3 	 121.0688 
 CH2OHCCLO 	 OCC([O])Cl 	 InChI=1S/C2H4ClO2/c3-2(5)1-4/h2,4H,1H2 	 95.5050 
 C1013PAN 	 COC(=O)CCC1C(CC1(C)C)C(=O)OO[N+](=O)[O-] 	 InChI=1S/C11H17NO7/c1-11(2)6-7(10(14)18-19-12(15)16)8(11)4-5-9(13)17-3/h7-8H,4-6H2,1-3H3 	 275.2552 
 BCLKBCO 	 O=CCCC(=O)C1CC(C)(C)C1CCC(=O)C=O 	 InChI=1S/C14H20O4/c1-14(2)8-11(13(18)4-3-7-15)12(14)6-5-10(17)9-16/h7,9,11-12H,3-6,8H2,1-2H3 	 252.3062 
 C921O2 	 OCC(=O)C1(O[O])CC(CO)C1(C)C 	 InChI=1S/C9H15O5/c1-8(2)6(4-10)3-9(8,14-13)7(12)5-11/h6,10-11H,3-5H2,1-2H3 	 203.2124 
 NPRACBOOH 	 CCC(OO)OC(=O)C 	 InChI=1S/C5H10O4/c1-3-5(9-7)8-4(2)6/h5,7H,3H2,1-2H3 	 134.1305 
 DNPETOLOOH 	 CCC12OOC(N(=O)=O)(C(=C(N(=O)=O)C2(O)OO)C)C1O 	 InChI=1S/C9H12N2O10/c1-3-7-6(12)8(11(16)17,21-20-7)4(2)5(10(14)15)9(7,13)19-18/h6,12-13,18H,3H2,1-2H3 	 308.1990 
 TM124BOH 	 OCc1ccc(C)c(C)c1 	 InChI=1S/C9H12O/c1-7-3-4-9(6-10)5-8(7)2/h3-5,10H,6H2,1-2H3 	 136.1910 
 C7CO2OHCO3 	 [O]OC(=O)C(=CC(=O)C(O)C(=O)C)C 	 InChI=1S/C8H9O6/c1-4(8(12)14-13)3-6(10)7(11)5(2)9/h3,7,11H,1-2H3 	 201.1535 
 HMACO3H 	 OCC(=C)C(=O)OO 	 InChI=1S/C4H6O4/c1-3(2-5)4(6)8-7/h5,7H,1-2H2 	 118.0880 
 IBUTALO2H 	 OOC(C)(C)C=O 	 InChI=1S/C4H8O3/c1-4(2,3-5)7-6/h3,6H,1-2H3 	 104.1045 
 DMCOH 	 COC(=O)OCO 	 InChI=1S/C3H6O4/c1-6-3(5)7-2-4/h4H,2H2,1H3 	 106.0773 
 C733OH 	 CC(=O)C(CCO)C(O)C=O 	 InChI=1S/C7H12O4/c1-5(10)6(2-3-8)7(11)4-9/h4,6-8,11H,2-3H2,1H3 	 160.1678 
 C827O2 	 [OH].CC(=O)CCC(=O)C(C)(C)[O] 	 InChI=1S/C8H13O3.HO/c1-6(9)4-5-7(10)8(2,3)11;/h4-5H2,1-3H3;1H 	 174.1944 
 T124NNCOOH 	 OOC1(O)C(=C(C)C2(OOC1(C)C2(C)ON(=O)=O)N(=O)=O)O 	 InChI=1S/C9H12N2O11/c1-4-5(12)9(13,20-18)7(3)6(2,19-11(16)17)8(4,10(14)15)22-21-7/h12-13,18H,1-3H3 	 324.1984 
 BCKSZOO 	 [O-][O+]=C1CCC2OOC(C)(CCC3C1CC3(C)C)O2 	 InChI=1S/C14H22O5/c1-13(2)8-9-10(13)6-7-14(3)16-12(18-19-14)5-4-11(9)17-15/h9-10,12H,4-8H2,1-3H3 	 270.3215 
 BZEMUCO2 	 O=CC(O)C(O[O])C1OC1C=O 	 InChI=1S/C6H7O6/c7-1-3(9)5(12-10)6-4(2-8)11-6/h1-6,9H 	 175.1162 
 PINALOH 	 O=CCC1(O)CC(C(=O)C)C1(C)C 	 InChI=1S/C10H16O3/c1-7(12)8-6-10(13,4-5-11)9(8,2)3/h5,8,13H,4,6H2,1-3H3 	 184.2322 
 DM35EBNO3 	 Cc1cc(C)cc(c1)C(C)ON(=O)=O 	 InChI=1S/C10H13NO3/c1-7-4-8(2)6-10(5-7)9(3)14-11(12)13/h4-6,9H,1-3H3 	 195.2151 
 MACRNBCO3 	 [O]OC(=O)C(C)(O)CON(=O)=O 	 InChI=1S/C4H6NO7/c1-4(7,3(6)12-10)2-11-5(8)9/h7H,2H2,1H3 	 180.0929 
 TCEOHO2 	 [O]OC(Cl)(Cl)C(O)(Cl)Cl 	 InChI=1S/C2HCl4O3/c3-1(4,7)2(5,6)9-8/h7H 	 214.8395 
 HMGLOO 	 [O-][O+]=CC(=O)CO 	 InChI=1S/C3H4O4/c4-1-3(5)2-7-6/h2,4H,1H2 	 104.0615 
 EOX2EOLBO2 	 OCCOC(C)O[O] 	 InChI=1S/C4H9O4/c1-4(8-6)7-3-2-5/h4-5H,2-3H2,1H3 	 121.1119 
 INCGLYOX 	 O=CC(=O)C(C)(O)CON(=O)=O 	 InChI=1S/C5H7NO6/c1-5(9,4(8)2-7)3-12-6(10)11/h2,9H,3H2,1H3 	 177.1122 
 NPRACCOOH 	 OOCCCOC(=O)C 	 InChI=1S/C5H10O4/c1-5(6)8-3-2-4-9-7/h7H,2-4H2,1H3 	 134.1305 
 IBUALANO3 	 O=CC(C)CON(=O)=O 	 InChI=1S/C4H7NO4/c1-4(2-6)3-9-5(7)8/h2,4H,3H2,1H3 	 133.1027 
 ACETOL 	 CC(=O)CO 	 InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3 	 74.0785 
 EMPHO 	 CCc1cc(C)cc([O])c1 	 InChI=1S/C9H11O/c1-3-8-4-7(2)5-9(10)6-8/h4-6H,3H2,1-2H3 	 135.1830 
 PINALO2 	 O=CCC1(O[O])CC(C(=O)C)C1(C)C 	 InChI=1S/C10H15O4/c1-7(12)8-6-10(14-13,4-5-11)9(8,2)3/h5,8H,4,6H2,1-3H3 	 199.2237 
 NPHEN1O2 	 [O]Oc1ccccc1N(=O)=O 	 InChI=1S/C6H4NO4/c8-7(9)5-3-1-2-4-6(5)11-10/h1-4H 	 154.1003 
 C828O2 	 [O]OC(C)(C)C(=O)C(=O)CC(=O)C 	 InChI=1S/C8H11O5/c1-5(9)4-6(10)7(11)8(2,3)13-12/h4H2,1-3H3 	 187.1699 
 BZEMUCOH 	 O=CC(O)C(O)C1OC1C=O 	 InChI=1S/C6H8O5/c7-1-3(9)5(10)6-4(2-8)11-6/h1-6,9-10H 	 160.1247 
 MEMOXYCO2H 	 COCC(=O)O 	 InChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5) 	 90.0779 
 C93OOH 	 CCCC(O)C(OO)CC(=O)CC 	 InChI=1S/C9H18O4/c1-3-5-8(11)9(13-12)6-7(10)4-2/h8-9,11-12H,3-6H2,1-2H3 	 190.2368 
 C3H5CO2H 	 C/C=C/C(=O)O 	 InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+ 	 86.0892 
 BOX2EOHBO2 	 CCCCOC(CO)O[O] 	 InChI=1S/C6H13O4/c1-2-3-4-9-6(5-7)10-8/h6-7H,2-5H2,1H3 	 149.1650 
 DMSO2O 	 [O]CS(=O)(=O)C 	 InChI=1S/C2H5O3S/c1-6(4,5)2-3/h2H2,1H3 	 109.1243 
 IPROMC2OOH 	 OOCC(C)OC(C)C 	 InChI=1S/C6H14O3/c1-5(2)9-6(3)4-8-7/h5-7H,4H2,1-3H3 	 134.1736 
 H13CO2CHO 	 OC(C=O)C(=O)CO 	 InChI=1S/C4H6O4/c5-1-3(7)4(8)2-6/h1,3,6-7H,2H2 	 118.0880 
 IC7DCO 	 O=CC(O)C([O])C(=O)C(C)C 	 InChI=1S/C7H11O4/c1-4(2)6(10)7(11)5(9)3-8/h3-5,7,9H,1-2H3 	 159.1598 
 C51NO32CO 	 CCCC(=O)CON(=O)=O 	 InChI=1S/C5H9NO4/c1-2-3-5(7)4-10-6(8)9/h2-4H2,1H3 	 147.1293 
 ETHFORMO 	 CC([O])OC=O 	 InChI=1S/C3H5O3/c1-3(5)6-2-4/h2-3H,1H3 	 89.0700 
 C614O 	 CC(=O)C(=O)CC([O])CO 	 InChI=1S/C6H9O4/c1-4(8)6(10)2-5(9)3-7/h5,7H,2-3H2,1H3 	 145.1333 
 MET1O 	 CCc1cccc(C)c1[O] 	 InChI=1S/C9H11O/c1-3-8-6-4-5-7(2)9(8)10/h4-6H,3H2,1-2H3 	 135.1830 
 BZEMUCPAN 	 O=CC=CC1OC1C(=O)OON(=O)=O 	 InChI=1S/C6H5NO7/c8-3-1-2-4-5(12-4)6(9)13-14-7(10)11/h1-5H 	 203.1064 
 CH3OCH2O 	 COC[O] 	 InChI=1S/C2H5O2/c1-4-2-3/h2H2,1H3 	 61.0599 
 M2PEBNO3 	 CC(C)CC(C)ON(=O)=O 	 InChI=1S/C6H13NO3/c1-5(2)4-6(3)10-7(8)9/h5-6H,4H2,1-3H3 	 147.1723 
 C831CO 	 O=CCC(=O)C(C)(C)CC=O 	 InChI=1S/C8H12O3/c1-8(2,4-6-10)7(11)3-5-9/h5-6H,3-4H2,1-2H3 	 156.1791 
 COO2C3PAN 	 [O-][N+](=O)OOC(=O)CC(=O)OC 	 InChI=1S/C4H5NO7/c1-10-3(6)2-4(7)11-12-5(8)9/h2H2,1H3 	 179.0850 
 GLYOO 	 [O-][O+]=CC=O 	 InChI=1S/C2H2O3/c3-1-2-5-4/h1-2H 	 74.0355 
 C103NO3 	 CCCCC(O)C(CC(=O)CC)ON(=O)=O 	 InChI=1S/C10H19NO5/c1-3-5-6-9(13)10(16-11(14)15)7-8(12)4-2/h9-10,13H,3-7H2,1-2H3 	 233.2616 
 CCLOHCHO 	 OC(Cl)C=O 	 InChI=1S/C2H3ClO2/c3-2(5)1-4/h1-2,5H 	 94.4970 
 GLYOX 	 O=CC=O 	 InChI=1S/C2H2O2/c3-1-2-4/h1-2H 	 58.0361 
 OXYLCO3H 	 OOC(=O)c1ccccc1C 	 InChI=1S/C8H8O3/c1-6-4-2-3-5-7(6)8(9)11-10/h2-5,10H,1H3 	 152.1473 
 INCNCO2H 	 O=N(=O)OCC(C)(O)C(ON(=O)=O)C(=O)O 	 InChI=1S/C5H8N2O9/c1-5(10,2-15-6(11)12)3(4(8)9)16-7(13)14/h3,10H,2H2,1H3,(H,8,9) 	 240.1250 
 NIPBNZOLOH 	 O=N(=O)OC1C2OOC1(C=CC2(O)O)C(C)C 	 InChI=1S/C9H13NO7/c1-5(2)8-3-4-9(11,12)7(16-17-8)6(8)15-10(13)14/h3-7,11-12H,1-2H3 	 247.2020 
 C53OOH 	 OOCC(=O)C(C)CO 	 InChI=1S/C5H10O4/c1-4(2-6)5(7)3-9-8/h4,6,8H,2-3H2,1H3 	 134.1305 
 LIMALBOH 	 O=CCC(CCC(=O)CO)C(=C)C 	 InChI=1S/C10H16O3/c1-8(2)9(5-6-11)3-4-10(13)7-12/h6,9,12H,1,3-5,7H2,2H3 	 184.2322 
 CH2OO 	 [O-][O+]=C 	 InChI=1S/CH2O2/c1-3-2/h1H2 	 46.0254 
 MXYOHNO2O2 	 [O]OC1(O)C(=CC2(C)OOC1(N(=O)=O)C2O)C 	 InChI=1S/C8H10NO8/c1-4-3-6(2)5(10)7(9(12)13,17-16-6)8(4,11)15-14/h3,5,10-11H,1-2H3 	 248.1669 
 IPROMC2O 	 [O]CC(C)OC(C)C 	 InChI=1S/C6H13O2/c1-5(2)8-6(3)4-7/h5-6H,4H2,1-3H3 	 117.1662 
 NEBNZ1O 	 CCc1cccc(N(=O)=O)c1[O] 	 InChI=1S/C8H8NO3/c1-2-6-4-3-5-7(8(6)10)9(11)12/h3-5H,2H2,1H3 	 166.1540 
 CYHXOLACO 	 OC1CCCCC1=O 	 InChI=1S/C6H10O2/c7-5-3-1-2-4-6(5)8/h5,7H,1-4H2 	 114.1424 
 CO235C5CHO 	 O=CC(=O)CC(=O)C(=O)C 	 InChI=1S/C6H6O4/c1-4(8)6(10)2-5(9)3-7/h3H,2H2,1H3 	 142.1094 
 NPPRBQOOH 	 CCCC1=CC(=O)C(OO)C(ON(=O)=O)C1=O 	 InChI=1S/C9H11NO7/c1-2-3-5-4-6(11)8(17-15)9(7(5)12)16-10(13)14/h4,8-9,15H,2-3H2,1H3 	 245.1861 
 PHCOCOCO2 	 [O]OCC(=O)C(=O)c1ccccc1 	 InChI=1S/C9H7O4/c10-8(6-13-12)9(11)7-4-2-1-3-5-7/h1-5H,6H2 	 179.1495 
 BZFUO 	 [O]C1C(O)COC1=O 	 InChI=1S/C4H5O4/c5-2-1-8-4(7)3(2)6/h2-3,5H,1H2 	 117.0801 
 NPRACCNO3 	 CC(=O)OCCCON(=O)=O 	 InChI=1S/C5H9NO5/c1-5(7)10-3-2-4-11-6(8)9/h2-4H2,1H3 	 163.1287 
 HO7C8CO3 	 CCCCCCC(O)CC(=O)O[O] 	 InChI=1S/C9H17O4/c1-2-3-4-5-6-8(10)7-9(11)13-12/h8,10H,2-7H2,1H3 	 189.2289 
 C1H4C5CO3 	 O=CCCC(O)CC(=O)O[O] 	 InChI=1S/C6H9O5/c7-3-1-2-5(8)4-6(9)11-10/h3,5,8H,1-2,4H2 	 161.1327 
 C5OH2CO4O2 	 [O]OC(C)CC(=O)CO 	 InChI=1S/C5H9O4/c1-4(9-8)2-5(7)3-6/h4,6H,2-3H2,1H3 	 133.1226 
 COCCOHNO3 	 O=CC(ON(=O)=O)C(C)O 	 InChI=1S/C4H7NO5/c1-3(7)4(2-6)10-5(8)9/h2-4,7H,1H3 	 149.1021 
 CL1GLYOX 	 O=CC(=O)Cl 	 InChI=1S/C2HClO2/c3-2(5)1-4/h1H 	 92.4811 
 HCOCH2O 	 [O]CC=O 	 InChI=1S/C2H3O2/c3-1-2-4/h1H,2H2 	 59.0440 
 PERIBUACID 	 OOC(=O)C(C)C 	 InChI=1S/C4H8O3/c1-3(2)4(5)7-6/h3,6H,1-2H3 	 104.1045 
 ME2BUOLNO3 	 O=N(=O)OC(C)(C)C(C)O 	 InChI=1S/C5H11NO4/c1-4(7)5(2,3)10-6(8)9/h4,7H,1-3H3 	 149.1451 
 C625OOH 	 OCCC(=O)C(C)(CO)OO 	 InChI=1S/C6H12O5/c1-6(4-8,11-10)5(9)2-3-7/h7-8,10H,2-4H2,1H3 	 164.1565 
 OETLMUCOH 	 O=CC(O)C(O)C1(C)OC1(CC)C=O 	 InChI=1S/C9H14O5/c1-3-9(5-11)8(2,14-9)7(13)6(12)4-10/h4-7,12-13H,3H2,1-2H3 	 202.2045 
 MACRNBCO2H 	 O=N(=O)OCC(C)(O)C(=O)O 	 InChI=1S/C4H7NO6/c1-4(8,3(6)7)2-11-5(9)10/h8H,2H2,1H3,(H,6,7) 	 165.1015 
 NDMEPLOOH 	 CCC12OOC(C)(C=C(C)C2(O)OO)C1ON(=O)=O 	 InChI=1S/C10H15NO8/c1-4-9-7(16-11(13)14)8(3,18-19-9)5-6(2)10(9,12)17-15/h5,7,12,15H,4H2,1-3H3 	 277.2280 
 C5CO14OOH 	 CC(=O)C=CC(=O)OO 	 InChI=1S/C5H6O4/c1-4(6)2-3-5(7)9-8/h2-3,8H,1H3 	 130.0987 
 INAHPPAN 	 OOC(C)(C(O)CON(=O)=O)C(=O)OON(=O)=O 	 InChI=1S/C5H8N2O11/c1-5(17-14,3(8)2-15-6(10)11)4(9)16-18-7(12)13/h3,8,14H,2H2,1H3 	 272.1238 
 CO36C11 	 CCCCCC(=O)CCC(=O)CC 	 InChI=1S/C11H20O2/c1-3-5-6-7-11(13)9-8-10(12)4-2/h3-9H2,1-2H3 	 184.2753 
 C91O 	 CCCCC([O])CC(=O)CC 	 InChI=1S/C9H17O2/c1-3-5-6-9(11)7-8(10)4-2/h9H,3-7H2,1-2H3 	 157.2301 
 C5EDBCO3H 	 OOC(=O)C(=CC(=O)C(=O)C)CC 	 InChI=1S/C8H10O5/c1-3-6(8(11)13-12)4-7(10)5(2)9/h4,12H,3H2,1-2H3 	 186.1620 
 HO24C5NO3 	 CC(O)CC(O)CON(=O)=O 	 InChI=1S/C5H11NO5/c1-4(7)2-5(8)3-11-6(9)10/h4-5,7-8H,2-3H2,1H3 	 165.1445 
 HMVKBCHO 	 OCC(C=O)C(=O)C 	 InChI=1S/C5H8O3/c1-4(8)5(2-6)3-7/h2,5,7H,3H2,1H3 	 116.1152 
 HO134C5 	 OCCC(O)C(C)O 	 InChI=1S/C5H12O3/c1-4(7)5(8)2-3-6/h4-8H,2-3H2,1H3 	 120.1470 
 PETLQO 	 CCC1([O])C(=O)C=C(C)C(=O)C1O 	 InChI=1S/C9H11O4/c1-3-9(13)6(10)4-5(2)7(11)8(9)12/h4,8,12H,3H2,1-2H3 	 183.1812 
 M3PEBO2 	 CCC(C)C(C)O[O] 	 InChI=1S/C6H13O2/c1-4-5(2)6(3)8-7/h5-6H,4H2,1-3H3 	 117.1662 
 OXYL 	 Cc1ccccc1C 	 InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3 	 106.1650 
 MMCFOOH 	 OOCOC(=O)OC=O 	 InChI=1S/C3H4O6/c4-1-7-3(5)8-2-9-6/h1,6H,2H2 	 136.0603 
 MVKNO3 	 OCC(ON(=O)=O)C(=O)C 	 InChI=1S/C4H7NO5/c1-3(7)4(2-6)10-5(8)9/h4,6H,2H2,1H3 	 149.1021 
 MBO 	 C=CC(C)(C)O 	 InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3 	 86.1323 
 HCOCH2CO3 	 [O]OC(=O)CC=O 	 InChI=1S/C3H3O4/c4-2-1-3(5)7-6/h2H,1H2 	 103.0535 
 BOXCOEOLO2 	 CCCC(O[O])OC(=O)C(C)O 	 InChI=1S/C7H13O5/c1-3-4-6(12-10)11-7(9)5(2)8/h5-6,8H,3-4H2,1-2H3 	 177.1751 
 OXY1OHNO2 	 O=N(=O)c1ccc(C)c(C)c1O 	 InChI=1S/C8H9NO3/c1-5-3-4-7(9(11)12)8(10)6(5)2/h3-4,10H,1-2H3 	 167.1620 
 C6CO34OOH 	 CC(OO)C(=O)C(=O)CC 	 InChI=1S/C6H10O4/c1-3-5(7)6(8)4(2)10-9/h4,9H,3H2,1-2H3 	 146.1412 
 NDNT123LO2 	 [O]OC1(O)C(=C(C)C2(C)OOC1(N(=O)=O)C2(C)ON(=O)=O)N(=O)=O 	 InChI=1S/C9H10N3O12/c1-4-5(10(14)15)8(13,22-20)9(11(16)17)7(3,21-12(18)19)6(4,2)23-24-9/h13H,1-3H3 	 352.1886 
 C1210CO2H 	 O=CCCC(=O)C1CC(C)(C)C1CCC(=O)O 	 InChI=1S/C13H20O4/c1-13(2)8-9(11(15)4-3-7-14)10(13)5-6-12(16)17/h7,9-10H,3-6,8H2,1-2H3,(H,16,17) 	 240.2955 
 C57NO3CO2H 	 OCC(O)C(C)(ON(=O)=O)C(=O)O 	 InChI=1S/C5H9NO7/c1-5(4(9)10,3(8)2-7)13-6(11)12/h3,7-8H,2H2,1H3,(H,9,10) 	 195.1275 
 EOX2OLANO3 	 CCOC(CO)ON(=O)=O 	 InChI=1S/C4H9NO5/c1-2-9-4(3-6)10-5(7)8/h4,6H,2-3H2,1H3 	 151.1180 
 M3PEBOH 	 CCC(C)C(C)O 	 InChI=1S/C6H14O/c1-4-5(2)6(3)7/h5-7H,4H2,1-3H3 	 102.1748 
 BUT1ENE 	 CCC=C 	 InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3 	 56.1063 
 C731NO3 	 O=CCC(CCO[N+](=O)[O-])C(=O)C 	 InChI=1S/C7H11NO5/c1-6(10)7(2-4-9)3-5-13-8(11)12/h4,7H,2-3,5H2,1H3 	 189.1659 
 EIPKAO 	 CCC(=O)C(C)(C)[O] 	 InChI=1S/C6H11O2/c1-4-5(7)6(2,3)8/h4H2,1-3H3 	 115.1503 
 HO24C4CO3 	 [O]OC(=O)C(O)CC(C)O 	 InChI=1S/C5H9O5/c1-3(6)2-4(7)5(8)10-9/h3-4,6-7H,2H2,1H3 	 149.1220 
 IPECOH 	 CCC(C)(C)O 	 InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3 	 88.1482 
 TM123MUNO3 	 O=N(=O)OC(C(O)C(=O)C)C1OC1(C)C(=O)C 	 InChI=1S/C9H13NO7/c1-4(11)6(13)7(17-10(14)15)8-9(3,16-8)5(2)12/h6-8,13H,1-3H3 	 247.2020 
 NDEMPHOLOH 	 CCC12OOC(CC)(C2ON(=O)=O)C(O)(O)C(=C1)C 	 InChI=1S/C11H17NO7/c1-4-9-6-7(3)11(13,14)10(5-2,19-18-9)8(9)17-12(15)16/h6,8,13-14H,4-5H2,1-3H3 	 275.2552 
 C732CO3H 	 OOC(=O)CC(CCC(=O)O)C(=O)C 	 InChI=1S/C8H12O6/c1-5(9)6(2-3-7(10)11)4-8(12)14-13/h6,13H,2-4H2,1H3,(H,10,11) 	 204.1773 
 BIACETO2 	 CC(=O)C(=O)CO[O] 	 InChI=1S/C4H5O4/c1-3(5)4(6)2-8-7/h2H2,1H3 	 117.0801 
 M2PEDOH 	 CCCC(C)(C)O 	 InChI=1S/C6H14O/c1-4-5-6(2,3)7/h7H,4-5H2,1-3H3 	 102.1748 
 C52NO33OOH 	 CCC(OO)C(C)ON(=O)=O 	 InChI=1S/C5H11NO5/c1-3-5(11-9)4(2)10-6(7)8/h4-5,9H,3H2,1-2H3 	 165.1445 
 CYHEXOLAO 	 OC1CCCCC1[O] 	 InChI=1S/C6H11O2/c7-5-3-1-2-4-6(5)8/h5-7H,1-4H2 	 115.1503 
 PERBUACID 	 CCCC(=O)OO 	 InChI=1S/C4H8O3/c1-2-3-4(5)7-6/h6H,2-3H2,1H3 	 104.1045 
 NC1313OOH 	 O=CCCC(OO)(CO[N+](=O)[O-])C1CC(C)(C)C1CC=O 	 InChI=1S/C13H21NO7/c1-12(2)8-11(10(12)4-7-16)13(21-19,5-3-6-15)9-20-14(17)18/h6-7,10-11,19H,3-5,8-9H2,1-2H3 	 303.3083 
 BCBOO 	 [O-][O+]=CCCC(=C)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C15H24O3/c1-11(6-5-9-18-17)13-10-15(3,4)14(13)8-7-12(2)16/h9,13-14H,1,5-8,10H2,2-4H3 	 252.3493 
 C82O2 	 CCC(=O)CC(O[O])C(O)CC 	 InChI=1S/C8H15O4/c1-3-6(9)5-8(12-11)7(10)4-2/h7-8,10H,3-5H2,1-2H3 	 175.2023 
 C2H5CO3 	 CCC(=O)O[O] 	 InChI=1S/C3H5O3/c1-2-3(4)6-5/h2H2,1H3 	 89.0700 
 C8PAN1 	 CCCCCC(O)CC(=O)OON(=O)=O 	 InChI=1S/C8H15NO6/c1-2-3-4-5-7(10)6-8(11)14-15-9(12)13/h7,10H,2-6H2,1H3 	 221.2078 
 METOLOOH 	 CCC12C=CC(O)(OO)C(C)(OO1)C2O 	 InChI=1S/C9H14O6/c1-3-8-4-5-9(11,13-12)7(2,6(8)10)14-15-8/h4-6,10-12H,3H2,1-2H3 	 218.2039 
 C726CO5O2 	 [O]OC(C=CC(=O)C)C(=O)C 	 InChI=1S/C7H9O4/c1-5(8)3-4-7(11-10)6(2)9/h3-4,7H,1-2H3 	 157.1440 
 BCBO2 	 [O]OC1CCC(=C)C2CC(C)(C)C2CCC1(C)O 	 InChI=1S/C15H25O3/c1-10-5-6-13(18-17)15(4,16)8-7-12-11(10)9-14(12,2)3/h11-13,16H,1,5-9H2,2-4H3 	 253.3572 
 IPBZBPRNO3 	 O=N(=O)OC1C=CC2(OOC1C2O)C(C)C 	 InChI=1S/C9H13NO6/c1-5(2)9-4-3-6(14-10(12)13)7(8(9)11)15-16-9/h3-8,11H,1-2H3 	 231.2026 
 DNPBNZLOOH 	 CCCC12OOC(C=C(N(=O)=O)C2(O)OO)(N(=O)=O)C1O 	 InChI=1S/C9H12N2O10/c1-2-3-7-6(12)8(11(16)17,21-20-7)4-5(10(14)15)9(7,13)19-18/h4,6,12-13,18H,2-3H2,1H3 	 308.1990 
 C1215OOH 	 O=CCCC(=O)C(=O)CC(C)(C)C(OO)CCO 	 InChI=1S/C12H20O6/c1-12(2,11(18-17)5-7-14)8-10(16)9(15)4-3-6-13/h6,11,14,17H,3-5,7-8H2,1-2H3 	 260.2836 
 M2PEDO2 	 CCCC(C)(C)O[O] 	 InChI=1S/C6H13O2/c1-4-5-6(2,3)8-7/h4-5H2,1-3H3 	 117.1662 
 BIACETOH 	 CC(=O)C(=O)CO 	 InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h5H,2H2,1H3 	 102.0886 
 IPECO2 	 CCC(C)(C)O[O] 	 InChI=1S/C5H11O2/c1-4-5(2,3)7-6/h4H2,1-3H3 	 103.1396 
 NDEMPHOLO2 	 CCC12OOC(CC)(C2ON(=O)=O)C(O)(O[O])C(=C1)C 	 InChI=1S/C11H16NO8/c1-4-9-6-7(3)11(13,18-16)10(5-2,20-19-9)8(9)17-12(14)15/h6,8,13H,4-5H2,1-3H3 	 290.2466 
 C5CO24O 	 CC(=O)CC(=O)C[O] 	 InChI=1S/C5H7O3/c1-4(7)2-5(8)3-6/h2-3H2,1H3 	 115.1073 
 DMSO2OOH 	 OOCS(=O)(=O)C 	 InChI=1S/C2H6O4S/c1-7(4,5)2-6-3/h3H,2H2,1H3 	 126.1316 
 M2PEAO 	 CCCC(C)C[O] 	 InChI=1S/C6H13O/c1-3-4-6(2)5-7/h6H,3-5H2,1-2H3 	 101.1668 
 ME2BU2OLO 	 CC([O])C(C)(C)O 	 InChI=1S/C5H11O2/c1-4(6)5(2,3)7/h4,7H,1-3H3 	 103.1396 
 CO2C3PAN 	 CC(=O)CC(=O)OON(=O)=O 	 InChI=1S/C4H5NO6/c1-3(6)2-4(7)10-11-5(8)9/h2H2,1H3 	 163.0856 
 CHCL3 	 ClC(Cl)Cl 	 InChI=1S/CHCl3/c2-1(3)4/h1H 	 119.3776 
 C61CPAN 	 CCCC(=O)C(=O)C(O)C(=O)OON(=O)=O 	 InChI=1S/C7H9NO8/c1-2-3-4(9)5(10)6(11)7(12)15-16-8(13)14/h6,11H,2-3H2,1H3 	 235.1483 
 TMB1FUONE 	 O=C1C=C(C)C(C)O1 	 InChI=1S/C6H8O2/c1-4-3-6(7)8-5(4)2/h3,5H,1-2H3 	 112.1265 
 C512CO3H 	 OOC(=O)CCC(=O)CC=O 	 InChI=1S/C6H8O5/c7-4-3-5(8)1-2-6(9)11-10/h4,10H,1-3H2 	 160.1247 
 NIPBNZOLO 	 O=N(=O)OC1C2OOC1(C=CC2(O)[O])C(C)C 	 InChI=1S/C9H12NO7/c1-5(2)8-3-4-9(11,12)7(16-17-8)6(8)15-10(13)14/h3-7,11H,1-2H3 	 246.1941 
 DMPHCOMO2 	 [O]OCC(=O)c1cc(C)cc(C)c1 	 InChI=1S/C10H11O3/c1-7-3-8(2)5-9(4-7)10(11)6-13-12/h3-5H,6H2,1-2H3 	 179.1925 
 CO3C4CO3 	 CCC(=O)CC(=O)O[O] 	 InChI=1S/C5H7O4/c1-2-4(6)3-5(7)9-8/h2-3H2,1H3 	 131.1067 
 EPXDLCO3 	 [O]OC(=O)C1OC1C=O 	 InChI=1S/C4H3O5/c5-1-2-3(8-2)4(6)9-7/h1-3H 	 131.0636 
 IEACHO 	 CC(O)(C=O)C1CO1 	 InChI=1S/C5H8O3/c1-5(7,3-6)4-2-8-4/h3-4,7H,2H2,1H3 	 116.1152 
 TM135MUO2H 	 CC(=O)C=C(C)C1OC1(C)C(=O)O 	 InChI=1S/C9H12O4/c1-5(4-6(2)10)7-9(3,13-7)8(11)12/h4,7H,1-3H3,(H,11,12) 	 184.1892 
 NPROACEBO2 	 CCC(O[O])OC(=O)C 	 InChI=1S/C5H9O4/c1-3-5(9-7)8-4(2)6/h5H,3H2,1-2H3 	 133.1226 
 C827PAN 	 CC(=O)CCC(=O)C(C)(C)C(=O)OO[N+](=O)[O-] 	 InChI=1S/C9H13NO7/c1-6(11)4-5-7(12)9(2,3)8(13)16-17-10(14)15/h4-5H2,1-3H3 	 247.2020 
 INB1NACO3 	 [O]OC(=O)C(ON(=O)=O)C(C)(CO)ON(=O)=O 	 InChI=1S/C5H7N2O10/c1-5(2-8,17-7(12)13)3(4(9)16-14)15-6(10)11/h3,8H,2H2,1H3 	 255.1165 
 TM123BCO3H 	 Cc1c(cccc1C)C(=O)OO 	 InChI=1S/C9H10O3/c1-6-4-3-5-8(7(6)2)9(10)12-11/h3-5,11H,1-2H3 	 166.1739 
 DMPHCOMOH 	 OCC(=O)c1cc(C)cc(C)c1 	 InChI=1S/C10H12O2/c1-7-3-8(2)5-9(4-7)10(12)6-11/h3-5,11H,6H2,1-2H3 	 164.2011 
 C6145COOOH 	 OOCC(=O)C(=O)CCC=O 	 InChI=1S/C6H8O5/c7-3-1-2-5(8)6(9)4-11-10/h3,10H,1-2,4H2 	 160.1247 
 BUT2CO3H 	 CC(CC)C(=O)OO 	 InChI=1S/C5H10O3/c1-3-4(2)5(6)8-7/h4,7H,3H2,1-2H3 	 118.1311 
 MIBK3COO2 	 [O]OC(C)(C)C(=O)C(=O)C 	 InChI=1S/C6H9O4/c1-4(7)5(8)6(2,3)10-9/h1-3H3 	 145.1333 
 SC4H9OOH 	 CC(CC)OO 	 InChI=1S/C4H10O2/c1-3-4(2)6-5/h4-5H,3H2,1-2H3 	 90.1210 
 C731O 	 [O]CCC(CC=O)C(=O)C 	 InChI=1S/C7H11O3/c1-6(10)7(2-4-8)3-5-9/h4,7H,2-3,5H2,1H3 	 143.1604 
 MMALNBCO3 	 O=CC(O)C(C)(ON(=O)=O)C(=O)O[O] 	 InChI=1S/C5H6NO8/c1-5(3(8)2-7,4(9)13-12)14-6(10)11/h2-3,8H,1H3 	 208.1030 
 ETBECCO3 	 [O]OC(=O)COC(C)(C)C 	 InChI=1S/C6H11O4/c1-6(2,3)9-4-5(7)10-8/h4H2,1-3H3 	 147.1491 
 HOCH2COCO2H 	 OCC(=O)C(=O)O 	 InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7) 	 104.0615 
 C1312CO 	 O=CCCC(=C)C(=O)CC(C)(C)C(=O)CCO 	 InChI=1S/C13H20O4/c1-10(5-4-7-14)11(16)9-13(2,3)12(17)6-8-15/h7,15H,1,4-6,8-9H2,2-3H3 	 240.2955 
 C23O3MCPAN 	 O=N(=O)OOC(=O)C(C)OC(=O)C(=O)C 	 InChI=1S/C6H7NO8/c1-3(8)5(9)13-4(2)6(10)14-15-7(11)12/h4H,1-2H3 	 221.1217 
 TCEOHO 	 OC(Cl)(Cl)C([O])(Cl)Cl 	 InChI=1S/C2HCl4O2/c3-1(4,7)2(5,6)8/h7H 	 198.8401 
 C143O 	 OCCC(=C)C(=O)CC(C)(C)C([O])CCC(=O)C 	 InChI=1S/C14H23O4/c1-10(7-8-15)12(17)9-14(3,4)13(18)6-5-11(2)16/h13,15H,1,5-9H2,2-4H3 	 255.3300 
 HO14C6 	 OCCCC(O)CC 	 InChI=1S/C6H14O2/c1-2-6(8)4-3-5-7/h6-8H,2-5H2,1H3 	 118.1742 
 C717O 	 O=CCC([O])CC(=O)C(=O)C 	 InChI=1S/C7H9O4/c1-5(9)7(11)4-6(10)2-3-8/h3,6H,2,4H2,1H3 	 157.1440 
 MTNCATCOOH 	 CCC12OOC(C)(C(=C(O)C2(O)OO)N(=O)=O)C1O 	 InChI=1S/C9H13NO9/c1-3-8-6(12)7(2,18-19-8)4(10(14)15)5(11)9(8,13)17-16/h6,11-13,16H,3H2,1-2H3 	 279.2008 
 CY6COCOOOH 	 OOC1CC(=O)CC(=O)C1 	 InChI=1S/C6H8O4/c7-4-1-5(8)3-6(2-4)10-9/h6,9H,1-3H2 	 144.1253 
 C5DIALCO 	 O=CC=CC(=O)C=O 	 InChI=1S/C5H4O3/c6-3-1-2-5(8)4-7/h1-4H 	 112.0835 
 C514OOH 	 O=CCC(OO)CC=O 	 InChI=1S/C5H8O4/c6-3-1-5(9-8)2-4-7/h3-5,8H,1-2H2 	 132.1146 
 LIMAOOH 	 OOC1(C)CCC(CC1O)C(=C)C 	 InChI=1S/C10H18O3/c1-7(2)8-4-5-10(3,13-12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3 	 186.2481 
 C5MEJCO3 	 O=CC(O)C(=O)C(=C(C)C(=O)O[O])CC 	 InChI=1S/C9H11O6/c1-3-6(5(2)9(13)15-14)8(12)7(11)4-10/h4,7,11H,3H2,1-2H3 	 215.1800 
 MEBFUOOH 	 CC1(OO)C(O)C(CC)OC1=O 	 InChI=1S/C7H12O5/c1-3-4-5(8)7(2,12-10)6(9)11-4/h4-5,8,10H,3H2,1-2H3 	 176.1672 
 TBUTCO3 	 [O]OC(=O)C(C)(C)C 	 InChI=1S/C5H9O3/c1-5(2,3)4(6)8-7/h1-3H3 	 117.1232 
 T123NCTOOH 	 OOC1(O)C(=C(N(=O)=O)C2(C)OOC1(C)C2(C)O)O 	 InChI=1S/C9H13NO9/c1-6-4(10(14)15)5(11)9(13,17-16)8(3,19-18-6)7(6,2)12/h11-13,16H,1-3H3 	 279.2008 
 C125O 	 CCCCCCC(=O)C(=O)C([O])C(=O)CC 	 InChI=1S/C12H19O4/c1-3-5-6-7-8-10(14)12(16)11(15)9(13)4-2/h11H,3-8H2,1-2H3 	 227.2769 
 C817O2 	 [O]OCC(CCC(=O)C)C(=O)C 	 InChI=1S/C8H13O4/c1-6(9)3-4-8(5-12-11)7(2)10/h8H,3-5H2,1-2H3 	 173.1864 
 M22C4O 	 [O]CCC(C)(C)C 	 InChI=1S/C6H13O/c1-6(2,3)4-5-7/h4-5H2,1-3H3 	 101.1668 
 BOXPROLAO2 	 CCCC(O[O])OCC(C)O 	 InChI=1S/C7H15O4/c1-3-4-7(11-9)10-5-6(2)8/h6-8H,3-5H2,1-2H3 	 163.1916 
 MPRNO3CO3H 	 OOC(=O)C(C)(C)ON(=O)=O 	 InChI=1S/C4H7NO6/c1-4(2,3(6)10-9)11-5(7)8/h9H,1-2H3 	 165.1015 
 C515OOH 	 OOCC(=O)C(=O)CC=O 	 InChI=1S/C5H6O5/c6-2-1-4(7)5(8)3-10-9/h2,9H,1,3H2 	 146.0981 
 HOIPRGLYOX 	 CC(CO)C(=O)C=O 	 InChI=1S/C5H8O3/c1-4(2-6)5(8)3-7/h3-4,6H,2H2,1H3 	 116.1152 
 PTNNCATCO 	 CCC12OOC(N(=O)=O)(C(=C(O)C2([O])O)C)C1ON(=O)=O 	 InChI=1S/C9H11N2O10/c1-3-7-6(19-11(17)18)8(10(15)16,21-20-7)4(2)5(12)9(7,13)14/h6,12-13H,3H2,1-2H3 	 307.1910 
 C520O 	 OCC([O])(C=O)C(=O)C 	 InChI=1S/C5H7O4/c1-4(8)5(9,2-6)3-7/h2,7H,3H2,1H3 	 131.1067 
 C6MOHCOCO3 	 CC(=CC(=O)O[O])C(=O)C(O)C(=O)C 	 InChI=1S/C8H9O6/c1-4(3-6(10)14-13)7(11)8(12)5(2)9/h3,8,12H,1-2H3 	 201.1535 
 IPRCO3 	 [O]OC(=O)C(C)C 	 InChI=1S/C4H7O3/c1-3(2)4(5)7-6/h3H,1-2H3 	 103.0966 
 DNT123BOL 	 Cc1c(C)c(N(=O)=O)c(N(=O)=O)c(O)c1C 	 InChI=1S/C9H10N2O5/c1-4-5(2)7(10(13)14)8(11(15)16)9(12)6(4)3/h12H,1-3H3 	 226.1861 
 C928OOH 	 OOCC(C)(C)C(=O)CCC(=O)C 	 InChI=1S/C9H16O4/c1-7(10)4-5-8(11)9(2,3)6-13-12/h12H,4-6H2,1-3H3 	 188.2209 
 C615OOH 	 OOC(C=O)C(C)(C)C=O 	 InChI=1S/C6H10O4/c1-6(2,4-8)5(3-7)10-9/h3-5,9H,1-2H3 	 146.1412 
 MTBEAALCO3 	 O=COC(C)(C)C(=O)O[O] 	 InChI=1S/C5H7O5/c1-5(2,9-3-6)4(7)10-8/h3H,1-2H3 	 147.1061 
 C920O 	 OCC(=O)C1CC(C[O])C1(C)C 	 InChI=1S/C9H15O3/c1-9(2)6(4-10)3-7(9)8(12)5-11/h6-7,11H,3-5H2,1-2H3 	 171.2136 
 C517O 	 [O]CC(CO)C(=O)C 	 InChI=1S/C5H9O3/c1-4(8)5(2-6)3-7/h5-6H,2-3H2,1H3 	 117.1232 
 NBCALO 	 O=CCCC([O])(CO[N+](=O)[O-])C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C15H24NO6/c1-11(18)5-6-12-13(9-14(12,2)3)15(19,7-4-8-17)10-22-16(20)21/h8,12-13H,4-7,9-10H2,1-3H3 	 314.3542 
 BCALAOOH 	 O=CCCC(=C)C1CC(C)(C)C1CC(OO)C(=O)C 	 InChI=1S/C15H24O4/c1-10(6-5-7-16)12-9-15(3,4)13(12)8-14(19-18)11(2)17/h7,12-14,18H,1,5-6,8-9H2,2-4H3 	 268.3487 
 MACRNPAN 	 OCC(C)(ON(=O)=O)C(=O)OON(=O)=O 	 InChI=1S/C4H6N2O9/c1-4(2-7,14-5(9)10)3(8)13-15-6(11)12/h7H,2H2,1H3 	 226.0984 
 HO3C4CO3H 	 CCC(O)CC(=O)OO 	 InChI=1S/C5H10O4/c1-2-4(6)3-5(7)9-8/h4,6,8H,2-3H2,1H3 	 134.1305 
 EPXEALKT 	 CCC1(C=O)OC1C(=O)C 	 InChI=1S/C7H10O3/c1-3-7(4-8)6(10-7)5(2)9/h4,6H,3H2,1-2H3 	 142.1525 
 CO25C74OOH 	 OOC(CC(=O)C)C(=O)CC 	 InChI=1S/C7H12O4/c1-3-6(9)7(11-10)4-5(2)8/h7,10H,3-4H2,1-2H3 	 160.1678 
 HM33C3CO3H 	 OCCC(C)(C)C(=O)OO 	 InChI=1S/C6H12O4/c1-6(2,3-4-7)5(8)10-9/h7,9H,3-4H2,1-2H3 	 148.1571 
 C817OH 	 OCC(CCC(=O)C)C(=O)C 	 InChI=1S/C8H14O3/c1-6(10)3-4-8(5-9)7(2)11/h8-9H,3-5H2,1-2H3 	 158.1950 
 C42NO33O2 	 [O]OC(C)C(C)ON(=O)=O 	 InChI=1S/C4H8NO5/c1-3(4(2)10-8)9-5(6)7/h3-4H,1-2H3 	 150.1100 
 C126O2 	 [O]OCCC(=C)C1CC(C)(C)C1CC=O 	 InChI=1S/C12H19O3/c1-9(5-7-15-14)10-8-12(2,3)11(10)4-6-13/h6,10-11H,1,4-5,7-8H2,2-3H3 	 211.2775 
 TBUACET 	 CC(=O)OC(C)(C)C 	 InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3 	 116.1583 
 NOETLQOOH 	 CCC1=C(C)C(=O)C(OO)C(ON(=O)=O)C1=O 	 InChI=1S/C9H11NO7/c1-3-5-4(2)6(11)9(17-15)8(7(5)12)16-10(13)14/h8-9,15H,3H2,1-2H3 	 245.1861 
 C617CO3 	 [O]OC(=O)CC(=O)C(C)(C)C=O 	 InChI=1S/C7H9O5/c1-7(2,4-8)5(9)3-6(10)12-11/h4H,3H2,1-2H3 	 173.1434 
 C143O2 	 OCCC(=C)C(=O)CC(C)(C)C(O[O])CCC(=O)C 	 InChI=1S/C14H23O5/c1-10(7-8-15)12(17)9-14(3,4)13(19-18)6-5-11(2)16/h13,15H,1,5-9H2,2-4H3 	 271.3294 
 OETCATECH 	 CCc1c(C)ccc(O)c1O 	 InChI=1S/C9H12O2/c1-3-7-6(2)4-5-8(10)9(7)11/h4-5,10-11H,3H2,1-2H3 	 152.1904 
 MNNCATECO2 	 [O]OC1(O)C(=C(N(=O)=O)C2OOC1(C)C2ON(=O)=O)O 	 InChI=1S/C7H7N2O11/c1-6-5(17-9(14)15)3(18-20-6)2(8(12)13)4(10)7(6,11)19-16/h3,5,10-11H,1H3 	 295.1373 
 C6MOHCOPAN 	 O=N(=O)OOC(=O)C=C(C)C(=O)C(O)C(=O)C 	 InChI=1S/C8H9NO8/c1-4(7(12)8(13)5(2)10)3-6(11)16-17-9(14)15/h3,8,13H,1-2H3 	 247.1590 
 IBUTOLCNO3 	 OCC(C)CON(=O)=O 	 InChI=1S/C4H9NO4/c1-4(2-6)3-9-5(7)8/h4,6H,2-3H2,1H3 	 135.1186 
 C146CO 	 O=CCC(=O)C(=O)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H20O4/c1-9(16)4-5-11-10(8-14(11,2)3)13(18)12(17)6-7-15/h7,10-11H,4-6,8H2,1-3H3 	 252.3062 
 ETHGLY 	 OCCO 	 InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 	 62.0678 
 HO3C6NO3 	 CCC(O)CCCON(=O)=O 	 InChI=1S/C6H13NO4/c1-2-6(8)4-3-5-11-7(9)10/h6,8H,2-5H2,1H3 	 163.1717 
 C1014OH 	 O=CCC(C)(C)C(O)CCC(=O)OC 	 InChI=1S/C10H18O4/c1-10(2,6-7-11)8(12)4-5-9(13)14-3/h7-8,12H,4-6H2,1-3H3 	 202.2475 
 NC9H20 	 CCCCCCCCC 	 InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3 	 128.2551 
 M23C4NO3 	 O=N(=O)OCC(C)C(C)C 	 InChI=1S/C6H13NO3/c1-5(2)6(3)4-10-7(8)9/h5-6H,4H2,1-3H3 	 147.1723 
 C67O2 	 O=CCC(O[O])C(C)(C)O 	 InChI=1S/C6H11O4/c1-6(2,8)5(10-9)3-4-7/h4-5,8H,3H2,1-2H3 	 147.1491 
 HMVKBCO3H 	 OCC(C(=O)C)C(=O)OO 	 InChI=1S/C5H8O5/c1-3(7)4(2-6)5(8)10-9/h4,6,9H,2H2,1H3 	 148.1140 
 MMCFO 	 [O]COC(=O)OC=O 	 InChI=1S/C3H3O5/c4-1-7-3(6)8-2-5/h1H,2H2 	 119.0529 
 C143OH 	 OCCC(=C)C(=O)CC(C)(C)C(O)CCC(=O)C 	 InChI=1S/C14H24O4/c1-10(7-8-15)12(17)9-14(3,4)13(18)6-5-11(2)16/h13,15,18H,1,5-9H2,2-4H3 	 256.3380 
 NIPBNZ1O2 	 [O]Oc1c(cccc1N(=O)=O)C(C)C 	 InChI=1S/C9H10NO4/c1-6(2)7-4-3-5-8(10(11)12)9(7)14-13/h3-6H,1-2H3 	 196.1800 
 NSTYRENOOH 	 OOC(CON(=O)=O)c1ccccc1 	 InChI=1S/C8H9NO5/c10-9(11)13-6-8(14-12)7-4-2-1-3-5-7/h1-5,8,12H,6H2 	 199.1608 
 C817PAN 	 CC(=O)CCC(CC(=O)OO[N+](=O)[O-])C(=O)C 	 InChI=1S/C9H13NO7/c1-6(11)3-4-8(7(2)12)5-9(13)16-17-10(14)15/h8H,3-5H2,1-2H3 	 247.2020 
 HO1CO3C4O 	 OCCC(=O)C[O] 	 InChI=1S/C4H7O3/c5-2-1-4(7)3-6/h5H,1-3H2 	 103.0966 
 C521OOH 	 OCCC(=O)C(=O)COO 	 InChI=1S/C5H8O5/c6-2-1-4(7)5(8)3-10-9/h6,9H,1-3H2 	 148.1140 
 NC826O2 	 O=CCC(CC=O)C(C)(O[O])CO[N+](=O)[O-] 	 InChI=1S/C8H12NO7/c1-8(16-14,6-15-9(12)13)7(2-4-10)3-5-11/h4-5,7H,2-3,6H2,1H3 	 234.1834 
 C126OO 	 O=CCCC(=[O+][O-])C1CC(C)(C)C1CC=O 	 InChI=1S/C12H18O4/c1-12(2)8-9(10(12)5-7-14)11(16-15)4-3-6-13/h6-7,9-10H,3-5,8H2,1-2H3 	 226.2689 
 C141PAN 	 CC(=O)CCC1C(CC1(C)C)C(=C)CCC(=O)OO[N+](=O)[O-] 	 InChI=1S/C15H23NO6/c1-10(5-8-14(18)21-22-16(19)20)12-9-15(3,4)13(12)7-6-11(2)17/h12-13H,1,5-9H2,2-4H3 	 313.3462 
 CHOC3COPAN 	 O=CCC(=O)CC(=O)OON(=O)=O 	 InChI=1S/C5H5NO7/c7-2-1-4(8)3-5(9)12-13-6(10)11/h2H,1,3H2 	 191.0957 
 CO3C4NO3O2 	 [O]OC(C)C(=O)CON(=O)=O 	 InChI=1S/C4H6NO6/c1-3(11-9)4(6)2-10-5(7)8/h3H,2H2,1H3 	 164.0935 
 IBUTOLCO2 	 [O]OCC(C)CO 	 InChI=1S/C4H9O3/c1-4(2-5)3-7-6/h4-5H,2-3H2,1H3 	 105.1125 
 DMSO2OH 	 OCS(=O)(=O)C 	 InChI=1S/C2H6O3S/c1-6(4,5)2-3/h3H,2H2,1H3 	 110.1322 
 NAOOA 	 [O-][O+]=CCCON(=O)=O 	 InChI=1S/C3H5NO5/c5-4(6)8-2-1-3-9-7/h3H,1-2H2 	 135.0755 
 C629O2 	 OCCC(O[O])(C=O)C(=O)C 	 InChI=1S/C6H9O5/c1-5(9)6(4-8,11-10)2-3-7/h4,7H,2-3H2,1H3 	 161.1327 
 IPRACBOH 	 CC(CO)OC(=O)C 	 InChI=1S/C5H10O3/c1-4(3-6)8-5(2)7/h4,6H,3H2,1-2H3 	 118.1311 
 HEX3ONBO 	 CCC(=O)C([O])CC 	 InChI=1S/C6H11O2/c1-3-5(7)6(8)4-2/h5H,3-4H2,1-2H3 	 115.1503 
 PBZBIPERO2 	 CCCC12OOC(C(O[O])C=C1)C2O 	 InChI=1S/C9H13O5/c1-2-4-9-5-3-6(12-11)7(8(9)10)13-14-9/h3,5-8,10H,2,4H2,1H3 	 201.1965 
 C147CO 	 CC(=O)CCC1C(CC1(C)C)C(=O)C(=O)CC(=O)O 	 InChI=1S/C14H20O5/c1-8(15)4-5-10-9(7-14(10,2)3)13(19)11(16)6-12(17)18/h9-10H,4-7H2,1-3H3,(H,17,18) 	 268.3056 
 EMPHCOMO2 	 [O]OCC(=O)c1cc(C)cc(CC)c1 	 InChI=1S/C11H13O3/c1-3-9-4-8(2)5-10(6-9)11(12)7-14-13/h4-6H,3,7H2,1-2H3 	 193.2191 
 C616O 	 O=CCCC(=O)C([O])C=O 	 InChI=1S/C6H7O4/c7-3-1-2-5(9)6(10)4-8/h3-4,6H,1-2H2 	 143.1174 
 EMPHCOMOH 	 OCC(=O)c1cc(CC)cc(C)c1 	 InChI=1S/C11H14O2/c1-3-9-4-8(2)5-10(6-9)11(13)7-12/h4-6,12H,3,7H2,1-2H3 	 178.2277 
 C136PAN 	 O=CCCC(=C)C1CC(C)(C)C1CCC(=O)OO[N+](=O)[O-] 	 InChI=1S/C14H21NO6/c1-10(5-4-8-16)11-9-14(2,3)12(11)6-7-13(17)20-21-15(18)19/h8,11-12H,1,4-7,9H2,2-3H3 	 299.3196 
 IPRACBO2 	 CC(CO[O])OC(=O)C 	 InChI=1S/C5H9O4/c1-4(3-8-7)9-5(2)6/h4H,3H2,1-2H3 	 133.1226 
 C611OOH 	 OOC(C)(C(=O)C)C(=O)C 	 InChI=1S/C6H10O4/c1-4(7)6(3,10-9)5(2)8/h9H,1-3H3 	 146.1412 
 DMSO2O2 	 [O]OCS(=O)(=O)C 	 InChI=1S/C2H5O4S/c1-7(4,5)2-6-3/h2H2,1H3 	 125.1237 
 C629OH 	 OCCC(O)(C=O)C(=O)C 	 InChI=1S/C6H10O4/c1-5(9)6(10,4-8)2-3-7/h4,7,10H,2-3H2,1H3 	 146.1412 
 NC3H7O 	 CCC[O] 	 InChI=1S/C3H7O/c1-2-3-4/h2-3H2,1H3 	 59.0871 
 BENZENE 	 c1ccccc1 	 InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H 	 78.1118 
 EMPHCO3H 	 OOC(=O)c1cc(CC)cc(C)c1 	 InChI=1S/C10H12O3/c1-3-8-4-7(2)5-9(6-8)10(11)13-12/h4-6,12H,3H2,1-2H3 	 180.2005 
 CO3C4NO3OH 	 O=N(=O)OCC(=O)C(C)O 	 InChI=1S/C4H7NO5/c1-3(6)4(7)2-10-5(8)9/h3,6H,2H2,1H3 	 149.1021 
 MACROOA 	 [O-][O+]=CC(=C)C 	 InChI=1S/C4H6O2/c1-4(2)3-6-5/h3H,1H2,2H3 	 86.0892 
 TM135OLOH 	 OC1C2(C)OOC1(C)C(O)(O)C(=C2)C 	 InChI=1S/C9H14O5/c1-5-4-7(2)6(10)8(3,14-13-7)9(5,11)12/h4,6,10-12H,1-3H3 	 202.2045 
 HEPTOOH 	 CCCCC(CC)OO 	 InChI=1S/C7H16O2/c1-3-5-6-7(4-2)9-8/h7-8H,3-6H2,1-2H3 	 132.2007 
 ETOMEO2 	 CCOCO[O] 	 InChI=1S/C3H7O3/c1-2-5-3-6-4/h2-3H2,1H3 	 91.0859 
 CL12PRBOOH 	 CC(Cl)(CCl)OO 	 InChI=1S/C3H6Cl2O2/c1-3(5,2-4)7-6/h6H,2H2,1H3 	 144.9845 
 BOXPRONOH 	 CCCC(O)OCC(=O)C 	 InChI=1S/C7H14O3/c1-3-4-7(9)10-5-6(2)8/h7,9H,3-5H2,1-2H3 	 146.1843 
 C109O2 	 [O]OCC(=O)C1CC(CC=O)C1(C)C 	 InChI=1S/C10H15O4/c1-10(2)7(3-4-11)5-8(10)9(12)6-14-13/h4,7-8H,3,5-6H2,1-2H3 	 199.2237 
 TBUTOLOOH 	 OOCC(C)(C)O 	 InChI=1S/C4H10O3/c1-4(2,5)3-7-6/h5-6H,3H2,1-2H3 	 106.1204 
 H2M5C65O2 	 [O]OC(C)(C)CCC(C)O 	 InChI=1S/C7H15O3/c1-6(8)4-5-7(2,3)10-9/h6,8H,4-5H2,1-3H3 	 147.1922 
 C626O2 	 [O]OCC(CC=O)C(=O)C 	 InChI=1S/C6H9O4/c1-5(8)6(2-3-7)4-10-9/h3,6H,2,4H2,1H3 	 145.1333 
 C126CO2H 	 O=CCC1C(CC1(C)C)C(=C)CCC(=O)O 	 InChI=1S/C13H20O3/c1-9(4-5-12(15)16)10-8-13(2,3)11(10)6-7-14/h7,10-11H,1,4-6,8H2,2-3H3,(H,15,16) 	 224.2961 
 PBZQONE 	 O=C1C=CC(=O)C=C1 	 InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H 	 108.0948 
 C5M2OHCO3H 	 O=CC(O)C(=O)C(=C(C)C(=O)OO)C 	 InChI=1S/C8H10O6/c1-4(5(2)8(12)14-13)7(11)6(10)3-9/h3,6,10,13H,1-2H3 	 202.1614 
 EBZMUCPAN 	 CCC(=O)C=CC1OC1C(=O)OON(=O)=O 	 InChI=1S/C8H9NO7/c1-2-5(10)3-4-6-7(14-6)8(11)15-16-9(12)13/h3-4,6-7H,2H2,1H3 	 231.1596 
 BUFORMOOH 	 CCCC(OO)OC=O 	 InChI=1S/C5H10O4/c1-2-3-5(9-7)8-4-6/h4-5,7H,2-3H2,1H3 	 134.1305 
 PERPENACID 	 CCCCC(=O)OO 	 InChI=1S/C5H10O3/c1-2-3-4-5(6)8-7/h7H,2-4H2,1H3 	 118.1311 
 ACETCOC3H7 	 CCCC(=O)OC(=O)C 	 InChI=1S/C6H10O3/c1-3-4-6(8)9-5(2)7/h3-4H2,1-2H3 	 130.1418 
 BENZAL 	 O=Cc1ccccc1 	 InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H 	 106.1219 
 C51OH2OOH 	 CCCC(CO)OO 	 InChI=1S/C5H12O3/c1-2-3-5(4-6)8-7/h5-7H,2-4H2,1H3 	 120.1470 
 ISOPCNO3 	 OCC=C(C)CON(=O)=O 	 InChI=1S/C5H9NO4/c1-5(2-3-7)4-10-6(8)9/h2,7H,3-4H2,1H3 	 147.1293 
 C109OH 	 O=CCC1CC(C(=O)CO)C1(C)C 	 InChI=1S/C10H16O3/c1-10(2)7(3-4-11)5-8(10)9(13)6-12/h4,7-8,12H,3,5-6H2,1-2H3 	 184.2322 
 C44O2 	 O=CCC(O[O])C(=O)O 	 InChI=1S/C4H5O5/c5-2-1-3(9-8)4(6)7/h2-3H,1H2,(H,6,7) 	 133.0795 
 M3CO25C6 	 CC(=O)CC(C)C(=O)C 	 InChI=1S/C7H12O2/c1-5(7(3)9)4-6(2)8/h5H,4H2,1-3H3 	 128.1690 
 C135OOH 	 OCC(OO)C(=O)C(=O)C(=O)C(C)(C)C(=O)CCC(=O)C 	 InChI=1S/C13H18O8/c1-7(15)4-5-9(16)13(2,3)12(19)11(18)10(17)8(6-14)21-20/h8,14,20H,4-6H2,1-3H3 	 302.2772 
 C735OH 	 O=CCC(O)(CC=O)C(=O)C 	 InChI=1S/C7H10O4/c1-6(10)7(11,2-4-8)3-5-9/h4-5,11H,2-3H2,1H3 	 158.1519 
 INB1OOH 	 OCC(OO)C(C)(CO)ON(=O)=O 	 InChI=1S/C5H11NO7/c1-5(3-8,13-6(9)10)4(2-7)12-11/h4,7-8,11H,2-3H2,1H3 	 197.1433 
 DETLMUO2H 	 CCC(=O)C=C(C)C1OC1(CC)C(=O)O 	 InChI=1S/C11H16O4/c1-4-8(12)6-7(3)9-11(5-2,15-9)10(13)14/h6,9H,4-5H2,1-3H3,(H,13,14) 	 212.2423 
 H2MC5O2 	 [O]OCCC(C)C(C)O 	 InChI=1S/C6H13O3/c1-5(6(2)7)3-4-9-8/h5-7H,3-4H2,1-2H3 	 133.1656 
 TLEMUCCO 	 O=CC1OC1C(O)C(=O)C(=O)C 	 InChI=1S/C7H8O5/c1-3(9)5(10)6(11)7-4(2-8)12-7/h2,4,6-7,11H,1H3 	 172.1354 
 ETHACETO 	 CC([O])OC(=O)C 	 InChI=1S/C4H7O3/c1-3(5)7-4(2)6/h3H,1-2H3 	 103.0966 
 C811CO3 	 [O]OC(=O)CC1CC(C(=O)O)C1(C)C 	 InChI=1S/C9H13O5/c1-9(2)5(4-7(10)14-13)3-6(9)8(11)12/h5-6H,3-4H2,1-2H3,(H,11,12) 	 201.1965 
 NBUACETCO 	 CCCC([O])OC(=O)C 	 InChI=1S/C6H11O3/c1-3-4-6(8)9-5(2)7/h6H,3-4H2,1-2H3 	 131.1497 
 C98OH 	 OCC(CC(=O)C(=O)C)C(C)(C)O 	 InChI=1S/C9H16O4/c1-6(11)8(12)4-7(5-10)9(2,3)13/h7,10,13H,4-5H2,1-3H3 	 188.2209 
 C828OOH 	 OOC(C)(C)C(=O)C(=O)CC(=O)C 	 InChI=1S/C8H12O5/c1-5(9)4-6(10)7(11)8(2,3)13-12/h12H,4H2,1-3H3 	 188.1779 
 HO1CO4C6 	 OCCCC(=O)CC 	 InChI=1S/C6H12O2/c1-2-6(8)4-3-5-7/h7H,2-5H2,1H3 	 116.1583 
 IPROC21OH 	 CC(C)OC(C)O 	 InChI=1S/C5H12O2/c1-4(2)7-5(3)6/h4-6H,1-3H3 	 104.1476 
 C1211CO 	 O=CCC(=O)C1CC(C)(C)C1CCC(=O)O 	 InChI=1S/C12H18O4/c1-12(2)7-8(10(14)5-6-13)9(12)3-4-11(15)16/h6,8-9H,3-5,7H2,1-2H3,(H,15,16) 	 226.2689 
 C513OOH 	 OCCC(=O)C(OO)C=O 	 InChI=1S/C5H8O5/c6-2-1-4(8)5(3-7)10-9/h3,5-6,9H,1-2H2 	 148.1140 
 IPROC21O2 	 [O]OC(C)OC(C)C 	 InChI=1S/C5H11O3/c1-4(2)7-5(3)8-6/h4-5H,1-3H3 	 119.1390 
 MMALNBCO3H 	 O=CC(O)C(C)(ON(=O)=O)C(=O)OO 	 InChI=1S/C5H7NO8/c1-5(3(8)2-7,4(9)13-12)14-6(10)11/h2-3,8,12H,1H3 	 209.1110 
 SBUACBOOH 	 CC(OC(=O)C)C(C)OO 	 InChI=1S/C6H12O4/c1-4(5(2)10-8)9-6(3)7/h4-5,8H,1-3H3 	 148.1571 
 DNPXYOLO2 	 [O]OC1(O)C(=C(C)C2(OOC1(C)C2O)N(=O)=O)N(=O)=O 	 InChI=1S/C8H9N2O10/c1-3-4(9(13)14)8(12,18-17)6(2)5(11)7(3,10(15)16)20-19-6/h5,11-12H,1-2H3 	 293.1645 
 C98O2 	 OCC(CC(=O)C(=O)C)C(C)(C)O[O] 	 InChI=1S/C9H15O5/c1-6(11)8(12)4-7(5-10)9(2,3)14-13/h7,10H,4-5H2,1-3H3 	 203.2124 
 INCNO3 	 OCC(ON(=O)=O)C(C)(O)CON(=O)=O 	 InChI=1S/C5H10N2O8/c1-5(9,3-14-6(10)11)4(2-8)15-7(12)13/h4,8-9H,2-3H2,1H3 	 226.1415 
 NC102O 	 O=C1CC(=O)C(C)(ON(=O)=O)C(C1)C(C)(C)[O] 	 InChI=1S/C10H14NO6/c1-9(2,14)7-4-6(12)5-8(13)10(7,3)17-11(15)16/h7H,4-5H2,1-3H3 	 244.2213 
 C93O 	 CCCC(O)C([O])CC(=O)CC 	 InChI=1S/C9H17O3/c1-3-5-8(11)9(12)6-7(10)4-2/h8-9,11H,3-6H2,1-2H3 	 173.2295 
 H13M3C5OOH 	 OCCC(C)(O)C(C)OO 	 InChI=1S/C6H14O4/c1-5(10-9)6(2,8)3-4-7/h5,7-9H,3-4H2,1-2H3 	 150.1730 
 PRONOCOPO 	 CC([O])CC(=O)OCC(=O)C 	 InChI=1S/C7H11O4/c1-5(8)3-7(10)11-4-6(2)9/h5H,3-4H2,1-2H3 	 159.1598 
 C32OH13CO 	 O=CC(O)C=O 	 InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-3,6H 	 88.0621 
 C735O2 	 O=CCC(O[O])(CC=O)C(=O)C 	 InChI=1S/C7H9O5/c1-6(10)7(12-11,2-4-8)3-5-9/h4-5H,2-3H2,1H3 	 173.1434 
 BOX2OHBOOH 	 CCCCOC(CO)OO 	 InChI=1S/C6H14O4/c1-2-3-4-9-6(5-7)10-8/h6-8H,2-5H2,1H3 	 150.1730 
 NC826OOH 	 O=CCC(CC=O)C(C)(OO)CO[N+](=O)[O-] 	 InChI=1S/C8H13NO7/c1-8(16-14,6-15-9(12)13)7(2-4-10)3-5-11/h4-5,7,14H,2-3,6H2,1H3 	 235.1913 
 CH3C2H2O2 	 CC(=C)O[O] 	 InChI=1S/C3H5O2/c1-3(2)5-4/h1H2,2H3 	 73.0706 
 OETOLO 	 CCC12OOC(C2O)C([O])(O)C=C1C 	 InChI=1S/C9H13O5/c1-3-8-5(2)4-9(11,12)7(6(8)10)13-14-8/h4,6-7,10-11H,3H2,1-2H3 	 201.1965 
 C6H5CO3H 	 OOC(=O)c1ccccc1 	 InChI=1S/C7H6O3/c8-7(10-9)6-4-2-1-3-5-6/h1-5,9H 	 138.1207 
 CLETAL 	 ClCC=O 	 InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2 	 78.4976 
 NIPBFUOOH 	 OOC1C(=O)OC(C(C)C)C1ON(=O)=O 	 InChI=1S/C7H11NO7/c1-3(2)4-5(14-8(10)11)6(15-12)7(9)13-4/h3-6,12H,1-2H3 	 221.1647 
 PMALANHY 	 CCCC1=CC(=O)OC1=O 	 InChI=1S/C7H8O3/c1-2-3-5-4-6(8)10-7(5)9/h4H,2-3H2,1H3 	 140.1366 
 HO13C5OOH 	 OCCC(O)C(C)OO 	 InChI=1S/C5H12O4/c1-4(9-8)5(7)2-3-6/h4-8H,2-3H2,1H3 	 136.1464 
 DIETETOOH 	 CC(OCC)OO 	 InChI=1S/C4H10O3/c1-3-6-4(2)7-5/h4-5H,3H2,1-2H3 	 106.1204 
 C614OH 	 CC(=O)C(=O)CC(O)CO 	 InChI=1S/C6H10O4/c1-4(8)6(10)2-5(9)3-7/h5,7,9H,2-3H2,1H3 	 146.1412 
 CH4 	 C 	 InChI=1S/CH4/h1H4 	 16.0425 
 HMGLYOO 	 [O-]/[O+]=C(\CO)/C=O 	 InChI=1S/C3H4O4/c4-1-3(2-5)7-6/h1,5H,2H2 	 104.0615 
 NC4CO3 	 [O]OC(=O)C=C(C)CON(=O)=O 	 InChI=1S/C5H6NO6/c1-4(2-5(7)12-10)3-11-6(8)9/h2H,3H2,1H3 	 176.1042 
 C54CO 	 O=CC(=O)C(=O)C(=O)C 	 InChI=1S/C5H4O4/c1-3(7)5(9)4(8)2-6/h2H,1H3 	 128.0829 
 C614O2 	 OCC(O[O])CC(=O)C(=O)C 	 InChI=1S/C6H9O5/c1-4(8)6(9)2-5(3-7)11-10/h5,7H,2-3H2,1H3 	 161.1327 
 EBZBPEROOH 	 OOC1C=CC2(CC)OOC1C2O 	 InChI=1S/C8H12O5/c1-2-8-4-3-5(11-10)6(7(8)9)12-13-8/h3-7,9-10H,2H2,1H3 	 188.1779 
 OXYL1O2 	 [O]Oc1ccccc1C 	 InChI=1S/C7H7O2/c1-6-4-2-3-5-7(6)9-8/h2-5H,1H3 	 123.1293 
 MIPKBNO3 	 O=N(=O)OCC(C)C(=O)C 	 InChI=1S/C5H9NO4/c1-4(5(2)7)3-10-6(8)9/h4H,3H2,1-2H3 	 147.1293 
 EMALNHYOOH 	 CCC1(OO)C(O)C(=O)OC1=O 	 InChI=1S/C6H8O6/c1-2-6(12-10)3(7)4(8)11-5(6)9/h3,7,10H,2H2,1H3 	 176.1241 
 PRONO3BO2 	 [O]OC(C)CON(=O)=O 	 InChI=1S/C3H6NO5/c1-3(9-7)2-8-4(5)6/h3H,2H2,1H3 	 136.0834 
 ECOCO2H 	 CCC(=O)C(=O)O 	 InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7) 	 102.0886 
 ACCOC3H6O2 	 CC(CC(=O)OC(=O)C)O[O] 	 InChI=1S/C6H9O5/c1-4(11-9)3-6(8)10-5(2)7/h4H,3H2,1-2H3 	 161.1327 
 HIEPOXB 	 OCC1OC1(CO)CO 	 InChI=1S/C5H10O4/c6-1-4-5(2-7,3-8)9-4/h4,6-8H,1-3H2 	 134.1305 
 PNNCATCOOH 	 CCCC12OOC(C(=C(O)C2(O)OO)N(=O)=O)C1ON(=O)=O 	 InChI=1S/C9H12N2O11/c1-2-3-8-7(19-11(16)17)5(20-22-8)4(10(14)15)6(12)9(8,13)21-18/h5,7,12-13,18H,2-3H2,1H3 	 324.1984 
 C86OOH 	 O=CCC(C(=O)C)C(C)(C)OO 	 InChI=1S/C8H14O4/c1-6(10)7(4-5-9)8(2,3)12-11/h5,7,11H,4H2,1-3H3 	 174.1944 
 CONM2CO2H 	 O=CC(C)(ON(=O)=O)C(=O)O 	 InChI=1S/C4H5NO6/c1-4(2-6,3(7)8)11-5(9)10/h2H,1H3,(H,7,8) 	 163.0856 
 BU1ENO3OOH 	 CCC(OO)CON(=O)=O 	 InChI=1S/C4H9NO5/c1-2-4(10-8)3-9-5(6)7/h4,8H,2-3H2,1H3 	 151.1180 
 C1215OH 	 O=CCCC(=O)C(=O)CC(C)(C)C(O)CCO 	 InChI=1S/C12H20O5/c1-12(2,11(17)5-7-14)8-10(16)9(15)4-3-6-13/h6,11,14,17H,3-5,7-8H2,1-2H3 	 244.2842 
 C141CO3 	 [O]OC(=O)CCC(=C)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C15H23O4/c1-10(5-8-14(17)19-18)12-9-15(3,4)13(12)7-6-11(2)16/h12-13H,1,5-9H2,2-4H3 	 267.3407 
 PBZPOXMUC 	 CCCC(=O)C=CC1OC1C=O 	 InChI=1S/C9H12O3/c1-2-3-7(11)4-5-8-9(6-10)12-8/h4-6,8-9H,2-3H2,1H3 	 168.1898 
 C57OOH 	 OCC(O)C(C)(OO)C=O 	 InChI=1S/C5H10O5/c1-5(3-7,10-9)4(8)2-6/h3-4,6,8-9H,2H2,1H3 	 150.1299 
 MXNCATECH 	 O=N(=O)c1c(C)cc(C)c(O)c1O 	 InChI=1S/C8H9NO4/c1-4-3-5(2)7(10)8(11)6(4)9(12)13/h3,10-11H,1-2H3 	 183.1614 
 MXNCATECO 	 O=N(=O)C1=C(O)C([O])(O)C2(C)OOC1(C)C2O 	 InChI=1S/C8H10NO8/c1-6-3(9(14)15)4(10)8(12,13)7(2,5(6)11)17-16-6/h5,10-12H,1-2H3 	 248.1669 
 ISOPAOOH 	 OOCC=C(C)CO 	 InChI=1S/C5H10O3/c1-5(4-6)2-3-8-7/h2,6-7H,3-4H2,1H3 	 118.1311 
 BCKANO3 	 [O-][N+](=O)OC1(C)CCC2C(CC2(C)C)C(=O)CCC1O 	 InChI=1S/C14H23NO5/c1-13(2)8-9-10(13)6-7-14(3,20-15(18)19)12(17)5-4-11(9)16/h9-10,12,17H,4-8H2,1-3H3 	 285.3361 
 CO25C74OH 	 CCC(=O)C(O)CC(=O)C 	 InChI=1S/C7H12O3/c1-3-6(9)7(10)4-5(2)8/h7,10H,3-4H2,1-2H3 	 144.1684 
 C52NO33O2 	 CCC(O[O])C(C)ON(=O)=O 	 InChI=1S/C5H10NO5/c1-3-5(11-9)4(2)10-6(7)8/h4-5H,3H2,1-2H3 	 164.1366 
 CH2CLCOCL 	 ClCC(=O)Cl 	 InChI=1S/C2H2Cl2O/c3-1-2(4)5/h1H2 	 112.9427 
 C1H4C5CO3H 	 O=CCCC(O)CC(=O)OO 	 InChI=1S/C6H10O5/c7-3-1-2-5(8)4-6(9)11-10/h3,5,8,10H,1-2,4H2 	 162.1406 
 M2BKAOH 	 CC(O)C(C)C(=O)C 	 InChI=1S/C6H12O2/c1-4(5(2)7)6(3)8/h4-5,7H,1-3H3 	 116.1583 
 M2BKAO2 	 [O]OC(C)C(C)C(=O)C 	 InChI=1S/C6H11O3/c1-4(5(2)7)6(3)9-8/h4,6H,1-3H3 	 131.1497 
 C736O 	 [O]CC(=O)C(=C)CCC=O 	 InChI=1S/C7H9O3/c1-6(3-2-4-8)7(10)5-9/h4H,1-3,5H2 	 141.1446 
 C81OOH 	 CC(OO)C(=O)CC(O)CCC 	 InChI=1S/C8H16O4/c1-3-4-7(9)5-8(10)6(2)12-11/h6-7,9,11H,3-5H2,1-2H3 	 176.2102 
 A2PAN 	 OCC(O)C(=O)OON(=O)=O 	 InChI=1S/C3H5NO7/c5-1-2(6)3(7)10-11-4(8)9/h2,5-6H,1H2 	 167.0743 
 CHEXO 	 [O]C1CCCCC1 	 InChI=1S/C6H11O/c7-6-4-2-1-3-5-6/h6H,1-5H2 	 99.1509 
 HO13C5O 	 OCCC(O)C(C)[O] 	 InChI=1S/C5H11O3/c1-4(7)5(8)2-3-6/h4-6,8H,2-3H2,1H3 	 119.1390 
 IPEBOOH 	 OOC(C)C(C)C 	 InChI=1S/C5H12O2/c1-4(2)5(3)7-6/h4-6H,1-3H3 	 104.1476 
 EMPOHNO2O 	 CCC1=CC([O])(O)C2(OOC1C2(C)O)N(=O)=O 	 InChI=1S/C9H12NO7/c1-3-5-4-8(12,13)9(10(14)15)7(2,11)6(5)16-17-9/h4,6,11-12H,3H2,1-2H3 	 246.1941 
 C922O2 	 OCC(=O)C(=O)CC(CO)C(C)(C)O[O] 	 InChI=1S/C9H15O6/c1-9(2,15-14)6(4-10)3-7(12)8(13)5-11/h6,10-11H,3-5H2,1-2H3 	 219.2118 
 C1215O2 	 O=CCCC(=O)C(=O)CC(C)(C)C(O[O])CCO 	 InChI=1S/C12H19O6/c1-12(2,11(18-17)5-7-14)8-10(16)9(15)4-3-6-13/h6,11,14H,3-5,7-8H2,1-2H3 	 259.2757 
 DM35EBO 	 Cc1cc(C)cc(c1)C(C)[O] 	 InChI=1S/C10H13O/c1-7-4-8(2)6-10(5-7)9(3)11/h4-6,9H,1-3H3 	 149.2096 
 MVKOHBO2 	 OCC(=O)C(CO)O[O] 	 InChI=1S/C4H7O5/c5-1-3(7)4(2-6)9-8/h4-6H,1-2H2 	 135.0954 
 C106OOH 	 O=CCC(=O)CC(C(=O)C)C(C)(C)OO 	 InChI=1S/C10H16O5/c1-7(12)9(10(2,3)15-14)6-8(13)4-5-11/h5,9,14H,4,6H2,1-3H3 	 216.2310 
 IEC1OOH 	 OCC(=O)C(C)(CO)OO 	 InChI=1S/C5H10O5/c1-5(3-7,10-9)4(8)2-6/h6-7,9H,2-3H2,1H3 	 150.1299 
 H14M4C6 	 OCCCC(C)(O)CC 	 InChI=1S/C7H16O2/c1-3-7(2,9)5-4-6-8/h8-9H,3-6H2,1-2H3 	 132.2007 
 CL12PRAO2 	 [O]OCC(Cl)CCl 	 InChI=1S/C3H5Cl2O2/c4-1-3(5)2-7-6/h3H,1-2H2 	 143.9766 
 C52NO31CO 	 CCCC(C=O)ON(=O)=O 	 InChI=1S/C5H9NO4/c1-2-3-5(4-7)10-6(8)9/h4-5H,2-3H2,1H3 	 147.1293 
 HMVKNGLYOX 	 OCC(ON(=O)=O)C(=O)C=O 	 InChI=1S/C4H5NO6/c6-1-3(8)4(2-7)11-5(9)10/h1,4,7H,2H2 	 163.0856 
 M2PECO 	 CCC([O])C(C)C 	 InChI=1S/C6H13O/c1-4-6(7)5(2)3/h5-6H,4H2,1-3H3 	 101.1668 
 C54NO3 	 OCCC(C)(O)CON(=O)=O 	 InChI=1S/C5H11NO5/c1-5(8,2-3-7)4-11-6(9)10/h7-8H,2-4H2,1H3 	 165.1445 
 MIPKAOH 	 CC(=O)C(C)(C)O 	 InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3 	 102.1317 
 CHOC4DOLO2 	 OCC(O)CC(O[O])C=O 	 InChI=1S/C5H9O5/c6-2-4(8)1-5(3-7)10-9/h3-6,8H,1-2H2 	 149.1220 
 HOCH2CO2H 	 OCC(=O)O 	 InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5) 	 76.0514 
 TLEMUCCO2H 	 CC(=O)C=CC1OC1C(=O)O 	 InChI=1S/C7H8O4/c1-4(8)2-3-5-6(11-5)7(9)10/h2-3,5-6H,1H3,(H,9,10) 	 156.1360 
 INDHPCO3 	 [O]OC(=O)C(C)(OO)C(CO)ON(=O)=O 	 InChI=1S/C5H8NO9/c1-5(15-12,4(8)14-11)3(2-7)13-6(9)10/h3,7,12H,2H2,1H3 	 226.1183 
 C23O3CCO3 	 [O]OC(=O)COC(=O)C(=O)C 	 InChI=1S/C5H5O6/c1-3(6)5(8)10-2-4(7)11-9/h2H2,1H3 	 161.0896 
 HC3CCO3H 	 OC(C=C)C(=O)OO 	 InChI=1S/C4H6O4/c1-2-3(5)4(6)8-7/h2-3,5,7H,1H2 	 118.0880 
 M2BK 	 CCC(C)C(=O)C 	 InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3 	 100.1589 
 TLFUONOO 	 [O-][O+]=CCC(=O)OC(=O)C 	 InChI=1S/C5H6O5/c1-4(6)10-5(7)2-3-9-8/h3H,2H2,1H3 	 146.0981 
 PBFUONE 	 CCCC1OC(=O)C=C1 	 InChI=1S/C7H10O2/c1-2-3-6-4-5-7(8)9-6/h4-6H,2-3H2,1H3 	 126.1531 
 BUTDBOOH 	 OCC(OO)C=C 	 InChI=1S/C4H8O3/c1-2-4(3-5)7-6/h2,4-6H,1,3H2 	 104.1045 
 C116NO3 	 O=CCC1C(CC1(C)C)C(=O)CCO[N+](=O)[O-] 	 InChI=1S/C11H17NO5/c1-11(2)7-8(9(11)3-5-13)10(14)4-6-17-12(15)16/h5,8-9H,3-4,6-7H2,1-2H3 	 243.2564 
 MIPKAO2 	 [O]OC(C)(C)C(=O)C 	 InChI=1S/C5H9O3/c1-4(6)5(2,3)8-7/h1-3H3 	 117.1232 
 C626OOH 	 OOCC(CC=O)C(=O)C 	 InChI=1S/C6H10O4/c1-5(8)6(2-3-7)4-10-9/h3,6,9H,2,4H2,1H3 	 146.1412 
 HO14CO3C5 	 OCCC(=O)C(C)O 	 InChI=1S/C5H10O3/c1-4(7)5(8)2-3-6/h4,6-7H,2-3H2,1H3 	 118.1311 
 CL12PRAOH 	 OCC(Cl)CCl 	 InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2 	 128.9851 
 CCLOHCOOH 	 OOCC(O)Cl 	 InChI=1S/C2H5ClO3/c3-2(4)1-6-5/h2,4-5H,1H2 	 112.5123 
 C6CONO34OH 	 CCC(O)C(ON(=O)=O)C(=O)C 	 InChI=1S/C6H11NO5/c1-3-5(9)6(4(2)8)12-7(10)11/h5-6,9H,3H2,1-2H3 	 177.1552 
 CCL3CHO 	 O=CC(Cl)(Cl)Cl 	 InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H 	 147.3877 
 BOXMCO3 	 CCCCOCC(=O)O[O] 	 InChI=1S/C6H11O4/c1-2-3-4-9-5-6(7)10-8/h2-5H2,1H3 	 147.1491 
 EPXKTMPAN 	 O=N(=O)OOC(=O)C1OC1(C)C(=O)C 	 InChI=1S/C6H7NO7/c1-3(8)6(2)4(12-6)5(9)13-14-7(10)11/h4H,1-2H3 	 205.1223 
 C128NO3 	 OCCC(=C)C(=O)CC(C)(C)C(CC=O)O[N+](=O)[O-] 	 InChI=1S/C12H19NO6/c1-9(4-6-14)10(16)8-12(2,3)11(5-7-15)19-13(17)18/h7,11,14H,1,4-6,8H2,2-3H3 	 273.2824 
 BUOX2ETOH 	 CCCCOCCO 	 InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3 	 118.1742 
 INDHPPAN 	 OCC(ON(=O)=O)C(C)(OO)C(=O)OON(=O)=O 	 InChI=1S/C5H8N2O11/c1-5(17-14,3(2-8)15-6(10)11)4(9)16-18-7(12)13/h3,8,14H,2H2,1H3 	 272.1238 
 C23O3CPAN 	 O=C(OON(=O)=O)COC(=O)C(=O)C 	 InChI=1S/C5H5NO8/c1-3(7)5(9)12-2-4(8)13-14-6(10)11/h2H2,1H3 	 207.0951 
 C518CHO 	 CC(=C)C(CO)C=O 	 InChI=1S/C6H10O2/c1-5(2)6(3-7)4-8/h3,6,8H,1,4H2,2H3 	 114.1424 
 NEBFUO2 	 CCC1OC(=O)C(O[O])C1ON(=O)=O 	 InChI=1S/C6H8NO7/c1-2-3-4(13-7(9)10)5(14-11)6(8)12-3/h3-5H,2H2,1H3 	 206.1302 
 DNPETOL 	 CCc1cc(N(=O)=O)c(C)c(N(=O)=O)c1O 	 InChI=1S/C9H10N2O5/c1-3-6-4-7(10(13)14)5(2)8(9(6)12)11(15)16/h4,12H,3H2,1-2H3 	 226.1861 
 NDNEBNZLO2 	 [O]OC1(O)C(=CC2(OOC1(CC)C2ON(=O)=O)N(=O)=O)N(=O)=O 	 InChI=1S/C8H8N3O12/c1-2-6-5(20-11(17)18)7(10(15)16,23-22-6)3-4(9(13)14)8(6,12)21-19/h3,5,12H,2H2,1H3 	 338.1620 
 ACCOETO 	 CC(=O)OC(=O)CC[O] 	 InChI=1S/C5H7O4/c1-4(7)9-5(8)2-3-6/h2-3H2,1H3 	 131.1067 
 C719O 	 O=C1CC(O)C(C)([O])C(O)C1 	 InChI=1S/C7H11O4/c1-7(11)5(9)2-4(8)3-6(7)10/h5-6,9-10H,2-3H2,1H3 	 159.1598 
 PPRBQCO 	 CCCC(=CC(=O)C=O)C(=O)CO.O=C1CCC(=O)C(=C1)C 	 InChI=1S/C9H12O4.C7H8O2/c1-2-3-7(9(13)6-11)4-8(12)5-10;1-5-4-6(8)2-3-7(5)9/h4-5,11H,2-3,6H2,1H3;4H,2-3H2,1H3 	 308.3264 
 C54O 	 OCCC(C)(O)C[O] 	 InChI=1S/C5H11O3/c1-5(8,4-7)2-3-6/h6,8H,2-4H2,1H3 	 119.1390 
 HO2C4O2 	 [O]OCCC(C)O 	 InChI=1S/C4H9O3/c1-4(5)2-3-7-6/h4-5H,2-3H2,1H3 	 105.1125 
 C62CHO 	 O=CC(O)C(=O)C(=O)C(C)C 	 InChI=1S/C7H10O4/c1-4(2)6(10)7(11)5(9)3-8/h3-5,9H,1-2H3 	 158.1519 
 MACO3H 	 CC(=C)C(=O)OO 	 InChI=1S/C4H6O3/c1-3(2)4(5)7-6/h6H,1H2,2H3 	 102.0886 
 C6CONO34O2 	 CCC(O[O])C(ON(=O)=O)C(=O)C 	 InChI=1S/C6H10NO6/c1-3-5(13-11)6(4(2)8)12-7(9)10/h5-6H,3H2,1-2H3 	 192.1467 
 C123O 	 CCCCCCC(O)C([O])CC(=O)CC 	 InChI=1S/C12H23O3/c1-3-5-6-7-8-11(14)12(15)9-10(13)4-2/h11-12,14H,3-9H2,1-2H3 	 215.3092 
 METLBPR2OH 	 CCC12OOC(C)(C=CC1O)C2O 	 InChI=1S/C9H14O4/c1-3-9-6(10)4-5-8(2,7(9)11)12-13-9/h4-7,10-11H,3H2,1-2H3 	 186.2051 
 C4M3NO32O2 	 [O]OCC(ON(=O)=O)C(C)C 	 InChI=1S/C5H10NO5/c1-4(2)5(3-10-9)11-6(7)8/h4-5H,3H2,1-2H3 	 164.1366 
 C114O2 	 CCCCCC(=O)C(O[O])CC(=O)CC 	 InChI=1S/C11H19O4/c1-3-5-6-7-10(13)11(15-14)8-9(12)4-2/h11H,3-8H2,1-2H3 	 215.2662 
 HYPROPO 	 OCC(C)[O] 	 InChI=1S/C3H7O2/c1-3(5)2-4/h3-4H,2H2,1H3 	 75.0865 
 CHCL2OH 	 OC(Cl)Cl 	 InChI=1S/CH2Cl2O/c2-1(3)4/h1,4H 	 100.9320 
 NBUACCOH 	 CCCC(O)OC(=O)C 	 InChI=1S/C6H12O3/c1-3-4-6(8)9-5(2)7/h6,8H,3-4H2,1-2H3 	 132.1577 
 HC4CCO2H 	 OCC=C(C)C(=O)O 	 InChI=1S/C5H8O3/c1-4(2-3-6)5(7)8/h2,6H,3H2,1H3,(H,7,8) 	 116.1152 
 HO2C4CHO 	 O=CCCC(C)O 	 InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3 	 102.1317 
 BOXPROLBO 	 CCCCOC([O])C(C)O 	 InChI=1S/C7H15O3/c1-3-4-5-10-7(9)6(2)8/h6-8H,3-5H2,1-2H3 	 147.1922 
 CHCL2O2 	 [O]OC(Cl)Cl 	 InChI=1S/CHCl2O2/c2-1(3)5-4/h1H 	 115.9234 
 C114OH 	 CCCCCC(=O)C(O)CC(=O)CC 	 InChI=1S/C11H20O3/c1-3-5-6-7-10(13)11(14)8-9(12)4-2/h11,14H,3-8H2,1-2H3 	 200.2747 
 MALDIALCO2 	 O=CC=CC(=O)[O] 	 InChI=1S/C4H3O3/c5-3-1-2-4(6)7/h1-3H 	 99.0648 
 MALDIALCO3 	 [O]OC(=O)C=CC=O 	 InChI=1S/C4H3O4/c5-3-1-2-4(6)8-7/h1-3H 	 115.0642 
 C7OHCO2PAN 	 O=CC(O)C(=O)C(=CC(=O)OON(=O)=O)CC 	 InChI=1S/C8H9NO8/c1-2-5(8(13)6(11)4-10)3-7(12)16-17-9(14)15/h3-4,6,11H,2H2,1H3 	 247.1590 
 C733CO 	 OCCC(C(=O)C)C(=O)C=O 	 InChI=1S/C7H10O4/c1-5(10)6(2-3-8)7(11)4-9/h4,6,8H,2-3H2,1H3 	 158.1519 
 NPROACEAO2 	 CC(COC(=O)C)O[O] 	 InChI=1S/C5H9O4/c1-4(9-7)3-8-5(2)6/h4H,3H2,1-2H3 	 133.1226 
 NTMB1FUOOH 	 OOC1(C)C(C)OC(=O)C1ON(=O)=O 	 InChI=1S/C6H9NO7/c1-3-6(2,14-11)4(5(8)12-3)13-7(9)10/h3-4,11H,1-2H3 	 207.1382 
 C4NO32M2O 	 CCC(C)([O])CON(=O)=O 	 InChI=1S/C5H10NO4/c1-3-5(2,7)4-10-6(8)9/h3-4H2,1-2H3 	 148.1372 
 OETLMUCO3H 	 CC1(OC1(CC)C(=O)OO)C=CC=O 	 InChI=1S/C9H12O5/c1-3-9(7(11)13-12)8(2,14-9)5-4-6-10/h4-6,12H,3H2,1-2H3 	 200.1886 
 CO23C4NO3 	 O=N(=O)OCC(=O)C(=O)C 	 InChI=1S/C4H5NO5/c1-3(6)4(7)2-10-5(8)9/h2H2,1H3 	 147.0862 
 HOBUT2CO3 	 OCCC(C)C(=O)O[O] 	 InChI=1S/C5H9O4/c1-4(2-3-6)5(7)9-8/h4,6H,2-3H2,1H3 	 133.1226 
 TM135MUCO2 	 [O]OC(C)(C(O)C(=O)C)C1OC1(C)C=O 	 InChI=1S/C9H13O6/c1-5(11)6(12)9(3,15-13)7-8(2,4-10)14-7/h4,6-7,12H,1-3H3 	 217.1959 
 TM135MUCO3 	 [O]OC(=O)C1(C)OC1C(=CC(=O)C)C 	 InChI=1S/C9H11O5/c1-5(4-6(2)10)7-9(3,13-7)8(11)14-12/h4,7H,1-3H3 	 199.1806 
 LIMONIC 	 OC(=O)CCC(CC(=O)O)C(=C)C 	 InChI=1S/C9H14O4/c1-6(2)7(5-9(12)13)3-4-8(10)11/h7H,1,3-5H2,2H3,(H,10,11)(H,12,13) 	 186.2051 
 DNPETOLO 	 CCC12OOC(N(=O)=O)(C(=C(N(=O)=O)C2([O])O)C)C1O 	 InChI=1S/C9H11N2O9/c1-3-7-6(12)8(11(17)18,20-19-7)4(2)5(10(15)16)9(7,13)14/h6,12-13H,3H2,1-2H3 	 291.1916 
 OET1O 	 CCc1c(C)cccc1[O] 	 InChI=1S/C9H11O/c1-3-8-7(2)5-4-6-9(8)10/h4-6H,3H2,1-2H3 	 135.1830 
 ETBEAO 	 CCOC(C)(C)C[O] 	 InChI=1S/C6H13O2/c1-4-8-6(2,3)5-7/h4-5H2,1-3H3 	 117.1662 
 C44OOH 	 O=CCC(OO)C(=O)O 	 InChI=1S/C4H6O5/c5-2-1-3(9-8)4(6)7/h2-3,8H,1H2,(H,6,7) 	 134.0874 
 METOLO 	 CCC12C=CC([O])(O)C(C)(OO1)C2O 	 InChI=1S/C9H13O5/c1-3-8-4-5-9(11,12)7(2,6(8)10)13-14-8/h4-6,10-11H,3H2,1-2H3 	 201.1965 
 DMPHOOH 	 OOc1cc(C)cc(C)c1 	 InChI=1S/C8H10O2/c1-6-3-7(2)5-8(4-6)10-9/h3-5,9H,1-2H3 	 138.1638 
 CO1H63NO3 	 OCCCC(CC=O)ON(=O)=O 	 InChI=1S/C6H11NO5/c8-4-1-2-6(3-5-9)12-7(10)11/h5-6,8H,1-4H2 	 177.1552 
 CO2C54O2 	 CC(CC(=O)C)O[O] 	 InChI=1S/C5H9O3/c1-4(6)3-5(2)8-7/h5H,3H2,1-2H3 	 117.1232 
 BZEMUCCO 	 O=CC1OC1C(=O)C(O)C=O 	 InChI=1S/C6H6O5/c7-1-3(9)5(10)6-4(2-8)11-6/h1-4,6,9H 	 158.1088 
 DIETETO2 	 CC(OCC)O[O] 	 InChI=1S/C4H9O3/c1-3-6-4(2)7-5/h4H,3H2,1-2H3 	 105.1125 
 C52OOH 	 OOCCC(C)CO 	 InChI=1S/C5H12O3/c1-5(4-6)2-3-8-7/h5-7H,2-4H2,1H3 	 120.1470 
 C73O 	 CC([O])C(=O)CC(=O)C(=O)C 	 InChI=1S/C7H9O4/c1-4(8)6(10)3-7(11)5(2)9/h4H,3H2,1-2H3 	 157.1440 
 C825O2 	 OCC(CC(O[O])C(=O)O)C(=C)C 	 InChI=1S/C8H13O5/c1-5(2)6(4-9)3-7(13-12)8(10)11/h6-7,9H,1,3-4H2,2H3,(H,10,11) 	 189.1858 
 C134O2 	 OCCC(=O)C(=O)C(O[O])C(C)(C)C(=O)CCC(=O)C 	 InChI=1S/C13H19O7/c1-8(15)4-5-10(17)13(2,3)12(20-19)11(18)9(16)6-7-14/h12,14H,4-7H2,1-3H3 	 287.2858 
 IEC1O2 	 OCC(=O)C(C)(CO)O[O] 	 InChI=1S/C5H9O5/c1-5(3-7,10-9)4(8)2-6/h6-7H,2-3H2,1H3 	 149.1220 
 C65OH4O2 	 CCCC(O[O])C(C)O 	 InChI=1S/C6H13O3/c1-3-4-6(9-8)5(2)7/h5-7H,3-4H2,1-2H3 	 133.1656 
 CO1M22CO3H 	 OOC(=O)C(C)(C)C=O 	 InChI=1S/C5H8O4/c1-5(2,3-6)4(7)9-8/h3,8H,1-2H3 	 132.1146 
 ALCOCH2OOH 	 OOCC(=O)C=O 	 InChI=1S/C3H4O4/c4-1-3(5)2-7-6/h1,6H,2H2 	 104.0615 
 SBUACAOOH 	 CCC(C)(OO)OC(=O)C 	 InChI=1S/C6H12O4/c1-4-6(3,10-8)9-5(2)7/h8H,4H2,1-3H3 	 148.1571 
 NO3CH2CO3 	 [O]OC(=O)CON(=O)=O 	 InChI=1S/C2H2NO6/c4-2(9-7)1-8-3(5)6/h1H2 	 136.0404 
 C610O 	 OCC([O])C(C)C(=O)C 	 InChI=1S/C6H11O3/c1-4(5(2)8)6(9)3-7/h4,6-7H,3H2,1-2H3 	 131.1497 
 MVKOHANO3 	 OCC(=O)C(O)CON(=O)=O 	 InChI=1S/C4H7NO6/c6-1-3(7)4(8)2-11-5(9)10/h4,6,8H,1-2H2 	 165.1015 
 C51NO32O2 	 CCCC(O[O])CON(=O)=O 	 InChI=1S/C5H10NO5/c1-2-3-5(11-9)4-10-6(7)8/h5H,2-4H2,1H3 	 164.1366 
 NC72O2 	 [O]OC1C(=O)CC(=O)C(C)(ON(=O)=O)C1=O 	 InChI=1S/C7H6NO8/c1-7(16-8(12)13)4(10)2-3(9)5(15-14)6(7)11/h5H,2H2,1H3 	 232.1244 
 M3HEX 	 CCCC(C)CC 	 InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3 	 100.2019 
 NSTYRENO2 	 [O]OC(CON(=O)=O)c1ccccc1 	 InChI=1S/C8H8NO5/c10-9(11)13-6-8(14-12)7-4-2-1-3-5-7/h1-5,8H,6H2 	 198.1528 
 MECOFORMO 	 [O]CC(=O)OC=O 	 InChI=1S/C3H3O4/c4-1-3(6)7-2-5/h2H,1H2 	 103.0535 
 C825OH 	 OCC(CC(O)C(=O)O)C(=C)C 	 InChI=1S/C8H14O4/c1-5(2)6(4-9)3-7(10)8(11)12/h6-7,9-10H,1,3-4H2,2H3,(H,11,12) 	 174.1944 
 C134OH 	 OCCC(=O)C(=O)C(O)C(C)(C)C(=O)CCC(=O)C 	 InChI=1S/C13H20O6/c1-8(15)4-5-10(17)13(2,3)12(19)11(18)9(16)6-7-14/h12,14,19H,4-7H2,1-3H3 	 272.2943 
 MEK2OOC 	 [O-][O+]=C(C)C(=O)C 	 InChI=1S/C4H6O3/c1-3(5)4(2)7-6/h1-2H3 	 102.0886 
 MEK2OOA 	 [O-][O+]=C(C)C(=O)C 	 InChI=1S/C4H6O3/c1-3(5)4(2)7-6/h1-2H3 	 102.0886 
 C5CO14CO2 	 CC(=O)C=CC(=O)[O] 	 InChI=1S/C5H5O3/c1-4(6)2-3-5(7)8/h2-3H,1H3 	 113.0914 
 C8BCNO3 	 O=N(=O)OC1CC2CC1C2(C)C 	 InChI=1S/C8H13NO3/c1-8(2)5-3-6(8)7(4-5)12-9(10)11/h5-7H,3-4H2,1-2H3 	 171.1937 
 MXYOLO2 	 [O]OC1(O)C=CC2(C)OOC1(C)C2O 	 InChI=1S/C8H11O6/c1-6-3-4-8(10,12-11)7(2,5(6)9)14-13-6/h3-5,9-10H,1-2H3 	 203.1693 
 DMK2OH 	 CC(=O)C(O)C(O)C(=O)C 	 InChI=1S/C6H10O4/c1-3(7)5(9)6(10)4(2)8/h5-6,9-10H,1-2H3 	 146.1412 
 M22C43OOH 	 OOC(C)C(C)(C)C 	 InChI=1S/C6H14O2/c1-5(8-7)6(2,3)4/h5,7H,1-4H3 	 118.1742 
 C85CO3 	 [O]OC(=O)C1CC(C(=O)C)C1(C)C 	 InChI=1S/C9H13O4/c1-5(10)6-4-7(8(11)13-12)9(6,2)3/h6-7H,4H2,1-3H3 	 185.1971 
 C624CO2H 	 OCCC(C(=C)C)C(=O)O 	 InChI=1S/C7H12O3/c1-5(2)6(3-4-8)7(9)10/h6,8H,1,3-4H2,2H3,(H,9,10) 	 144.1684 
 C7PAN3 	 O=C(OON(=O)=O)CC(=O)CC(=O)C(=O)C 	 InChI=1S/C7H7NO8/c1-4(9)6(11)2-5(10)3-7(12)15-16-8(13)14/h2-3H2,1H3 	 233.1324 
 C7PAN2 	 CCCCC(O)CC(=O)OON(=O)=O 	 InChI=1S/C7H13NO6/c1-2-3-4-6(9)5-7(10)13-14-8(11)12/h6,9H,2-5H2,1H3 	 207.1812 
 C7PAN1 	 CCC(C)(O)CCC(=O)OON(=O)=O 	 InChI=1S/C7H13NO6/c1-3-7(2,10)5-4-6(9)13-14-8(11)12/h10H,3-5H2,1-2H3 	 207.1812 
 OTNNCATCO 	 CCC1=C(O)C([O])(O)C2(OOC1(C)C2ON(=O)=O)N(=O)=O 	 InChI=1S/C9H11N2O10/c1-3-4-5(12)9(13,14)8(10(15)16)6(19-11(17)18)7(4,2)20-21-8/h6,12-13H,3H2,1-2H3 	 307.1910 
 ACEETOHO 	 CC(=O)OC(O)C[O] 	 InChI=1S/C4H7O4/c1-3(6)8-4(7)2-5/h4,7H,2H2,1H3 	 119.0960 
 HOIBUTCO3 	 OCC(C)CC(=O)O[O] 	 InChI=1S/C5H9O4/c1-4(3-6)2-5(7)9-8/h4,6H,2-3H2,1H3 	 133.1226 
 H3M2C4CO3 	 [O]OC(=O)CC(O)C(C)C 	 InChI=1S/C6H11O4/c1-4(2)5(7)3-6(8)10-9/h4-5,7H,3H2,1-2H3 	 147.1491 
 CYHXONANO3 	 O=C1CCCC(C1)ON(=O)=O 	 InChI=1S/C6H9NO4/c8-5-2-1-3-6(4-5)11-7(9)10/h6H,1-4H2 	 159.1400 
 DNPBNZOL 	 CCCc1cc(cc(N(=O)=O)c1O)N(=O)=O 	 InChI=1S/C9H10N2O5/c1-2-3-6-4-7(10(13)14)5-8(9(6)12)11(15)16/h4-5,12H,2-3H2,1H3 	 226.1861 
 C4COMOH3O 	 CCC([O])CC(=O)CO 	 InChI=1S/C6H11O3/c1-2-5(8)3-6(9)4-7/h5,7H,2-4H2,1H3 	 131.1497 
 ACCOCOMOOH 	 OOCC(=O)C(=O)OC(=O)C 	 InChI=1S/C5H6O6/c1-3(6)11-5(8)4(7)2-10-9/h9H,2H2,1H3 	 162.0975 
 MXYOLOH 	 OC1C2(C)C=CC(O)(O)C1(C)OO2 	 InChI=1S/C8H12O5/c1-6-3-4-8(10,11)7(2,5(6)9)13-12-6/h3-5,9-11H,1-2H3 	 188.1779 
 TM123OHNO2 	 Cc1cc(N(=O)=O)c(O)c(C)c1C 	 InChI=1S/C9H11NO3/c1-5-4-8(10(12)13)9(11)7(3)6(5)2/h4,11H,1-3H3 	 181.1885 
 BCALOO 	 O=CCCC(=[O+][O-])C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H22O4/c1-10(16)6-7-12-11(9-14(12,2)3)13(18-17)5-4-8-15/h8,11-12H,4-7,9H2,1-3H3 	 254.3221 
 OXYFUOOH 	 OOC1(C)C(=O)OCC1(C)O 	 InChI=1S/C6H10O5/c1-5(8)3-10-4(7)6(5,2)11-9/h8-9H,3H2,1-2H3 	 162.1406 
 H1C23C4OOH 	 OOCC(=O)C(=O)CO 	 InChI=1S/C4H6O5/c5-1-3(6)4(7)2-9-8/h5,8H,1-2H2 	 134.0874 
 H3C2C4CO3 	 CC(=O)C(O)CC(=O)O[O] 	 InChI=1S/C5H7O5/c1-3(6)4(7)2-5(8)10-9/h4,7H,2H2,1H3 	 147.1061 
 MTBE 	 COC(C)(C)C 	 InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3 	 88.1482 
 OXNCATECO2 	 [O]OC1(O)C(=C(C)C2(C)OOC1(N(=O)=O)C2O)O 	 InChI=1S/C8H10NO9/c1-3-4(10)8(12,16-15)7(9(13)14)5(11)6(3,2)17-18-7/h5,10-12H,1-2H3 	 264.1663 
 C511CO3H 	 O=CCC(C(=O)C)C(=O)OO 	 InChI=1S/C6H8O5/c1-4(8)5(2-3-7)6(9)11-10/h3,5,10H,2H2,1H3 	 160.1247 
 MTBK 	 CC(=O)C(C)(C)C 	 InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3 	 100.1589 
 ACLOOA 	 [O-][O+]=C(C)CO 	 InChI=1S/C3H6O3/c1-3(2-4)6-5/h4H,2H2,1H3 	 90.0779 
 NBUACETAO 	 CC([O])CCOC(=O)C 	 InChI=1S/C6H11O3/c1-5(7)3-4-9-6(2)8/h5H,3-4H2,1-2H3 	 131.1497 
 INANCHO 	 O=CC(C)(ON(=O)=O)C(O)CON(=O)=O 	 InChI=1S/C5H8N2O8/c1-5(3-8,15-7(12)13)4(9)2-14-6(10)11/h3-4,9H,2H2,1H3 	 224.1256 
 PROL2FORM 	 CC(O)COC=O 	 InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3 	 104.1045 
 MIBKAOHBO2 	 [O]OCC(C)(O)CC(=O)C 	 InChI=1S/C6H11O4/c1-5(7)3-6(2,8)4-10-9/h8H,3-4H2,1-2H3 	 147.1491 
 ETBECCO3H 	 OOC(=O)COC(C)(C)C 	 InChI=1S/C6H12O4/c1-6(2,3)9-4-5(7)10-8/h8H,4H2,1-3H3 	 148.1571 
 C4CO2OOH 	 OOC(C=O)C(=O)C 	 InChI=1S/C4H6O4/c1-3(6)4(2-5)8-7/h2,4,7H,1H3 	 118.0880 
 PBZMUCOOH 	 CCCC(=O)C(OO)C(O)C1OC1C=O 	 InChI=1S/C9H14O6/c1-2-3-5(11)8(15-13)7(12)9-6(4-10)14-9/h4,6-9,12-13H,2-3H2,1H3 	 218.2039 
 PET1OOH 	 OOc1cc(C)ccc1CC 	 InChI=1S/C9H12O2/c1-3-8-5-4-7(2)6-9(8)11-10/h4-6,10H,3H2,1-2H3 	 152.1904 
 C95O 	 CCCC(=O)C(=O)C([O])C(=O)CC 	 InChI=1S/C9H13O4/c1-3-5-7(11)9(13)8(12)6(10)4-2/h8H,3-5H2,1-2H3 	 185.1971 
 EPXM2C4DAL 	 O=CC1(C)OC1(C)C=O 	 InChI=1S/C6H8O3/c1-5(3-7)6(2,4-8)9-5/h3-4H,1-2H3 	 128.1259 
 C312COPAN 	 O=CC(=O)CC(=O)OON(=O)=O 	 InChI=1S/C4H3NO7/c6-2-3(7)1-4(8)11-12-5(9)10/h2H,1H2 	 177.0691 
 C6CO3OH5O2 	 [O]OC(C)C(=O)CC(C)O 	 InChI=1S/C6H11O4/c1-4(7)3-6(8)5(2)10-9/h4-5,7H,3H2,1-2H3 	 147.1491 
 HOC3H6CO2H 	 OCCCC(=O)O 	 InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7) 	 104.1045 
 M3BU2OLNO3 	 O=N(=O)OCC(O)C(C)C 	 InChI=1S/C5H11NO4/c1-4(2)5(7)3-10-6(8)9/h4-5,7H,3H2,1-2H3 	 149.1451 
 C7OHCO2CO3 	 CCC(=CC(=O)O[O])C(=O)C(O)C=O 	 InChI=1S/C8H9O6/c1-2-5(3-7(11)14-13)8(12)6(10)4-9/h3-4,6,10H,2H2,1H3 	 201.1535 
 C721CHO 	 O=CC1CC(C(=O)O)C1(C)C 	 InChI=1S/C8H12O3/c1-8(2)5(4-9)3-6(8)7(10)11/h4-6H,3H2,1-2H3,(H,10,11) 	 156.1791 
 CHOCOMOXO2 	 [O]OCOC(=O)C=O 	 InChI=1S/C3H3O5/c4-1-3(5)7-2-8-6/h1H,2H2 	 119.0529 
 NC4OO 	 OCC(ON(=O)=O)C(=[O+][O-])C 	 InChI=1S/C4H7NO6/c1-3(11-9)4(2-6)10-5(7)8/h4,6H,2H2,1H3 	 165.1015 
 MC4CODBPAN 	 O=N(=O)OOC(=O)C=C(C)C(=O)C 	 InChI=1S/C6H7NO6/c1-4(5(2)8)3-6(9)12-13-7(10)11/h3H,1-2H3 	 189.1229 
 HM33C3CO3 	 OCCC(C)(C)C(=O)O[O] 	 InChI=1S/C6H11O4/c1-6(2,3-4-7)5(8)10-9/h7H,3-4H2,1-2H3 	 147.1491 
 OETLMUCCO3 	 CC1(OC1(CC)C(=O)O[O])C=CC=O 	 InChI=1S/C9H11O5/c1-3-9(7(11)13-12)8(2,14-9)5-4-6-10/h4-6H,3H2,1-2H3 	 199.1806 
 CHOC4OOH 	 OOCCCCC=O 	 InChI=1S/C5H10O3/c6-4-2-1-3-5-8-7/h4,7H,1-3,5H2 	 118.1311 
 DIIPRETHER 	 CC(C)OC(C)C 	 InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3 	 102.1748 
 ACO3 	 [O]OC(=O)C=C 	 InChI=1S/C3H3O3/c1-2-3(4)6-5/h2H,1H2 	 87.0541 
 PBN 	 CCCC(=O)OON(=O)=O 	 InChI=1S/C4H7NO5/c1-2-3-4(6)9-10-5(7)8/h2-3H2,1H3 	 149.1021 
 C5CO2OHPAN 	 O=CC(O)C(=O)C=CC(=O)OON(=O)=O 	 InChI=1S/C6H5NO8/c8-3-5(10)4(9)1-2-6(11)14-15-7(12)13/h1-3,5,10H 	 219.1058 
 CO25C74O 	 CCC(=O)C([O])CC(=O)C 	 InChI=1S/C7H11O3/c1-3-6(9)7(10)4-5(2)8/h7H,3-4H2,1-2H3 	 143.1604 
 H1MC5NO3 	 OCCC(C)C(C)ON(=O)=O 	 InChI=1S/C6H13NO4/c1-5(3-4-8)6(2)11-7(9)10/h5-6,8H,3-4H2,1-2H3 	 163.1717 
 C613OOH 	 OCC(OO)C(C)(O)C(=O)C 	 InChI=1S/C6H12O5/c1-4(8)6(2,9)5(3-7)11-10/h5,7,9-10H,3H2,1-2H3 	 164.1565 
 C7CO2DCO3H 	 O=CC(=O)C=C(CC)C(=O)OO 	 InChI=1S/C7H8O5/c1-2-5(7(10)12-11)3-6(9)4-8/h3-4,11H,2H2,1H3 	 172.1354 
 ECATEC1OOH 	 CCc1cccc(O)c1OO 	 InChI=1S/C8H10O3/c1-2-6-4-3-5-7(9)8(6)11-10/h3-5,9-10H,2H2,1H3 	 154.1632 
 LMLKBOH 	 O=CCC(CCC(=O)CO)C(=O)C 	 InChI=1S/C9H14O4/c1-7(12)8(4-5-10)2-3-9(13)6-11/h5,8,11H,2-4,6H2,1H3 	 186.2051 
 C627OH 	 CC(=O)CCC(=O)CO 	 InChI=1S/C6H10O3/c1-5(8)2-3-6(9)4-7/h7H,2-4H2,1H3 	 130.1418 
 C7ADCOH 	 O=CC(C)(O)C(C)(O)C(=O)C 	 InChI=1S/C7H12O4/c1-5(9)7(3,11)6(2,10)4-8/h4,10-11H,1-3H3 	 160.1678 
 ECATECOOA 	 [O-][O+]=C(O)C(=C/C=C/C(=O)O)CC 	 InChI=1S/C8H10O5/c1-2-6(8(11)13-12)4-3-5-7(9)10/h3-5,11H,2H2,1H3,(H,9,10)/b5-3+,6-4? 	 186.1620 
 EGLYOO 	 [O-][O+]=CC(=O)CC 	 InChI=1S/C4H6O3/c1-2-4(5)3-7-6/h3H,2H2,1H3 	 102.0886 
 HO2C4NO3 	 CC(O)CCON(=O)=O 	 InChI=1S/C4H9NO4/c1-4(6)2-3-9-5(7)8/h4,6H,2-3H2,1H3 	 135.1186 
 C54CO3H 	 CC(CCC)C(=O)OO 	 InChI=1S/C6H12O3/c1-3-4-5(2)6(7)9-8/h5,8H,3-4H2,1-2H3 	 132.1577 
 HC4ACO3H 	 OCC(=CC(=O)OO)C 	 InChI=1S/C5H8O4/c1-4(3-6)2-5(7)9-8/h2,6,8H,3H2,1H3 	 132.1146 
 PIPN 	 O=N(=O)OOC(=O)C(C)C 	 InChI=1S/C4H7NO5/c1-3(2)4(6)9-10-5(7)8/h3H,1-2H3 	 149.1021 
 EGLYOX 	 CCC(=O)C=O 	 InChI=1S/C4H6O2/c1-2-4(6)3-5/h3H,2H2,1H3 	 86.0892 
 NC524O2 	 OCC(ON(=O)=O)C(CO)(CO)O[O] 	 InChI=1S/C5H10NO8/c7-1-4(13-6(10)11)5(2-8,3-9)14-12/h4,7-9H,1-3H2 	 212.1348 
 BOXMOH 	 CCCCOCO 	 InChI=1S/C5H12O2/c1-2-3-4-7-5-6/h6H,2-5H2,1H3 	 104.1476 
 PET1O2 	 [O]Oc1cc(C)ccc1CC 	 InChI=1S/C9H11O2/c1-3-8-5-4-7(2)6-9(8)11-10/h4-6H,3H2,1-2H3 	 151.1824 
 MBOBO2 	 [O]OCC(O)C(C)(C)O 	 InChI=1S/C5H11O4/c1-5(2,7)4(6)3-9-8/h4,6-7H,3H2,1-2H3 	 135.1384 
 C7ADCO2 	 O=CC(C)(O)C(C)(O[O])C(=O)C 	 InChI=1S/C7H11O5/c1-5(9)7(3,12-11)6(2,10)4-8/h4,10H,1-3H3 	 175.1592 
 HM22C4OOH 	 OOCCC(C)(C)CO 	 InChI=1S/C6H14O3/c1-6(2,5-7)3-4-9-8/h7-8H,3-5H2,1-2H3 	 134.1736 
 LMLKBO2 	 [O]OCC(=O)CCC(CC=O)C(=O)C 	 InChI=1S/C9H13O5/c1-7(11)8(4-5-10)2-3-9(12)6-14-13/h5,8H,2-4,6H2,1H3 	 201.1965 
 PINIC 	 OC(=O)CC1CC(C(=O)O)C1(C)C 	 InChI=1S/C9H14O4/c1-9(2)5(4-7(10)11)3-6(9)8(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13) 	 186.2051 
 C627O2 	 [OH].CC(=O)CCC(=O)C[O] 	 InChI=1S/C6H9O3.HO/c1-5(8)2-3-6(9)4-7;/h2-4H2,1H3;1H 	 147.1491 
 C735O 	 O=CCC([O])(CC=O)C(=O)C 	 InChI=1S/C7H9O4/c1-6(10)7(11,2-4-8)3-5-9/h4-5H,2-3H2,1H3 	 157.1440 
 C517O2 	 [O]OCC(CO)C(=O)C 	 InChI=1S/C5H9O4/c1-4(7)5(2-6)3-9-8/h5-6H,2-3H2,1H3 	 133.1226 
 MTNCATECO 	 CCC12OOC(C)(C(=C(O)C2(O)[O])N(=O)=O)C1O 	 InChI=1S/C9H12NO8/c1-3-8-6(12)7(2,17-18-8)4(10(15)16)5(11)9(8,13)14/h6,11-13H,3H2,1-2H3 	 262.1935 
 MTNCATECH 	 CCc1cc(C)c(N(=O)=O)c(O)c1O 	 InChI=1S/C9H11NO4/c1-3-6-4-5(2)7(10(13)14)9(12)8(6)11/h4,11-12H,3H2,1-2H3 	 197.1879 
 C64OOH 	 OCC(C)(OO)CC(=O)C 	 InChI=1S/C6H12O4/c1-5(8)3-6(2,4-7)10-9/h7,9H,3-4H2,1-2H3 	 148.1571 
 NBCALOOH 	 O=CCCC(OO)(CO[N+](=O)[O-])C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C15H25NO7/c1-11(18)5-6-12-13(9-14(12,2)3)15(23-21,7-4-8-17)10-22-16(19)20/h8,12-13,21H,4-7,9-10H2,1-3H3 	 331.3615 
 TBUTCO3H 	 OOC(=O)C(C)(C)C 	 InChI=1S/C5H10O3/c1-5(2,3)4(6)8-7/h7H,1-3H3 	 118.1311 
 CNO3CLOH 	 OC(Cl)CON(=O)=O 	 InChI=1S/C2H4ClNO4/c3-2(5)1-8-4(6)7/h2,5H,1H2 	 141.5105 
 NAPINBO2 	 [O]OC1CC2CC(C1(C)ON(=O)=O)C2(C)C 	 InChI=1S/C10H16NO5/c1-9(2)6-4-7(9)10(3,16-11(12)13)8(5-6)15-14/h6-8H,4-5H2,1-3H3 	 230.2377 
 CNO3CLO2 	 [O]OC(Cl)CON(=O)=O 	 InChI=1S/C2H3ClNO5/c3-2(9-7)1-8-4(5)6/h2H,1H2 	 156.5019 
 CLETO3H 	 OOC(=O)CCl 	 InChI=1S/C2H3ClO3/c3-1-2(4)6-5/h5H,1H2 	 110.4964 
 H2M2C4CHO 	 O=CCCC(C)(C)O 	 InChI=1S/C6H12O2/c1-6(2,8)4-3-5-7/h5,8H,3-4H2,1-2H3 	 116.1583 
 INDHPCO3H 	 OOC(=O)C(C)(OO)C(CO)ON(=O)=O 	 InChI=1S/C5H9NO9/c1-5(15-12,4(8)14-11)3(2-7)13-6(9)10/h3,7,11-12H,2H2,1H3 	 227.1263 
 C23O3CCO3H 	 OOC(=O)COC(=O)C(=O)C 	 InChI=1S/C5H6O6/c1-3(6)5(8)10-2-4(7)11-9/h9H,2H2,1H3 	 162.0975 
 HOCO3C54O 	 OCCC(=O)C(C)[O] 	 InChI=1S/C5H9O3/c1-4(7)5(8)2-3-6/h4,6H,2-3H2,1H3 	 117.1232 
 NBPINAOOH 	 OOC1(CON(=O)=O)CCC2CC1C2(C)C 	 InChI=1S/C10H17NO5/c1-9(2)7-3-4-10(16-14,8(9)5-7)6-15-11(12)13/h7-8,14H,3-6H2,1-2H3 	 231.2457 
 C517OH 	 OCC(CO)C(=O)C 	 InChI=1S/C5H10O3/c1-4(8)5(2-6)3-7/h5-7H,2-3H2,1H3 	 118.1311 
 C5DIALO 	 O=CC=CC([O])C=O 	 InChI=1S/C5H5O3/c6-3-1-2-5(8)4-7/h1-5H 	 113.0914 
 HO1C3O 	 OCCC[O] 	 InChI=1S/C3H7O2/c4-2-1-3-5/h4H,1-3H2 	 75.0865 
 C513CO 	 OCCC(=O)C(=O)C=O 	 InChI=1S/C5H6O4/c6-2-1-4(8)5(9)3-7/h3,6H,1-2H2 	 130.0987 
 NORLIMAL 	 O=CC(CCC(=O)C)C(=C)C 	 InChI=1S/C9H14O2/c1-7(2)9(6-10)5-4-8(3)11/h6,9H,1,4-5H2,2-3H3 	 154.2063 
 UDECNO3 	 CCCCCCCCC(CC)ON(=O)=O 	 InChI=1S/C11H23NO3/c1-3-5-6-7-8-9-10-11(4-2)15-12(13)14/h11H,3-10H2,1-2H3 	 217.3052 
 C5DIALO2 	 O=CC=CC(O[O])C=O 	 InChI=1S/C5H5O4/c6-3-1-2-5(4-7)9-8/h1-5H 	 129.0908 
 C1312OH 	 O=CCCC(=C)C(=O)CC(C)(C)C(O)CCO 	 InChI=1S/C13H22O4/c1-10(5-4-7-14)11(16)9-13(2,3)12(17)6-8-15/h7,12,15,17H,1,4-6,8-9H2,2-3H3 	 242.3114 
 C3MCODBPAN 	 O=CC(=CC(=O)OON(=O)=O)C 	 InChI=1S/C5H5NO6/c1-4(3-7)2-5(8)11-12-6(9)10/h2-3H,1H3 	 175.0963 
 OCTOH 	 CCCCCC(O)CC 	 InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3 	 130.2279 
 C6TONOHOOH 	 OOC(CC=O)C(=O)C(=O)CO 	 InChI=1S/C6H8O6/c7-2-1-5(12-11)6(10)4(9)3-8/h2,5,8,11H,1,3H2 	 176.1241 
 NBUACETCO2 	 CCCC(O[O])OC(=O)C 	 InChI=1S/C6H11O4/c1-3-4-6(10-8)9-5(2)7/h6H,3-4H2,1-2H3 	 147.1491 
 HM2C43O2 	 OCC(C)C(C)O[O] 	 InChI=1S/C5H11O3/c1-4(3-6)5(2)8-7/h4-6H,3H2,1-2H3 	 119.1390 
 C122O2 	 CCCCCCCC(O)CC(=O)C(C)O[O] 	 InChI=1S/C12H23O4/c1-3-4-5-6-7-8-11(13)9-12(14)10(2)16-15/h10-11,13H,3-9H2,1-2H3 	 231.3086 
 OCTO2 	 CCCCCC(CC)O[O] 	 InChI=1S/C8H17O2/c1-3-5-6-7-8(4-2)10-9/h8H,3-7H2,1-2H3 	 145.2194 
 C126CO3H 	 O=CCC1C(CC1(C)C)C(=C)CCC(=O)OO 	 InChI=1S/C13H20O4/c1-9(4-5-12(15)17-16)10-8-13(2,3)11(10)6-7-14/h7,10-11,16H,1,4-6,8H2,2-3H3 	 240.2955 
 C107O2 	 O=CCC1CC(O[O])(C(=O)C)C1(C)C 	 InChI=1S/C10H15O4/c1-7(12)10(14-13)6-8(4-5-11)9(10,2)3/h5,8H,4,6H2,1-3H3 	 199.2237 
 MBOBNO3 	 O=N(=O)OCC(O)C(C)(C)O 	 InChI=1S/C5H11NO5/c1-5(2,8)4(7)3-11-6(9)10/h4,7-8H,3H2,1-2H3 	 165.1445 
 C819O 	 CC([O])(CO)C(=O)CCC(=O)C 	 InChI=1S/C8H13O4/c1-6(10)3-4-7(11)8(2,12)5-9/h9H,3-5H2,1-2H3 	 173.1864 
 BCANO3 	 [O-][N+](=O)OC1(C)CCC2C(CC2(C)C)C(=C)CCC1O 	 InChI=1S/C15H25NO4/c1-10-5-6-13(17)15(4,20-16(18)19)8-7-12-11(10)9-14(12,2)3/h11-13,17H,1,5-9H2,2-4H3 	 283.3633 
 C1312O2 	 O=CCCC(=C)C(=O)CC(C)(C)C(O[O])CCO 	 InChI=1S/C13H21O5/c1-10(5-4-7-14)11(16)9-13(2,3)12(18-17)6-8-15/h7,12,15H,1,4-6,8-9H2,2-3H3 	 257.3028 
 MTBEAALPAN 	 O=COC(C)(C)C(=O)OON(=O)=O 	 InChI=1S/C5H7NO7/c1-5(2,11-3-7)4(8)12-13-6(9)10/h3H,1-2H3 	 193.1116 
 C5DIALOH 	 O=CC=CC(O)C=O 	 InChI=1S/C5H6O3/c6-3-1-2-5(8)4-7/h1-5,8H 	 114.0993 
 C8M3CO 	 CCC(=O)C=C(C)C(=O)C(=O)C 	 InChI=1S/C9H12O3/c1-4-8(11)5-6(2)9(12)7(3)10/h5H,4H2,1-3H3 	 168.1898 
 C121O 	 CCCCCCCC([O])CC(=O)CC 	 InChI=1S/C12H23O2/c1-3-5-6-7-8-9-12(14)10-11(13)4-2/h12H,3-10H2,1-2H3 	 199.3098 
 C6DCRBBOH 	 CCC(=O)C=CC(=O)O 	 InChI=1S/C6H8O3/c1-2-5(7)3-4-6(8)9/h3-4H,2H2,1H3,(H,8,9) 	 128.1259 
 HEXAO 	 CCCCCC[O] 	 InChI=1S/C6H13O/c1-2-3-4-5-6-7/h2-6H2,1H3 	 101.1668 
 C63O2 	 OCC(O[O])CC(=O)CC 	 InChI=1S/C6H11O4/c1-2-5(8)3-6(4-7)10-9/h6-7H,2-4H2,1H3 	 147.1491 
 C312COCO3 	 [O]OC(=O)CC(=O)C=O 	 InChI=1S/C4H3O5/c5-2-3(6)1-4(7)9-8/h2H,1H2 	 131.0636 
 BPINCOOH 	 OCC1=CCC(CC1)C(C)(C)OO 	 InChI=1S/C10H18O3/c1-10(2,13-12)9-5-3-8(7-11)4-6-9/h3,9,11-12H,4-7H2,1-2H3 	 186.2481 
 PHC3NO3 	 CCC(ON(=O)=O)c1ccccc1 	 InChI=1S/C9H11NO3/c1-2-9(13-10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3 	 181.1885 
 BU1ENO3O2 	 CCC(O[O])CON(=O)=O 	 InChI=1S/C4H8NO5/c1-2-4(10-8)3-9-5(6)7/h4H,2-3H2,1H3 	 150.1100 
 NC5H12 	 CCCCC 	 InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3 	 72.1488 
 C524O 	 OCC(=C)C([O])CO 	 InChI=1S/C5H9O3/c1-4(2-6)5(8)3-7/h5-7H,1-3H2 	 117.1232 
 C9M2CO6O 	 CCC(=O)C=C(C)C([O])C(=O)CC 	 InChI=1S/C10H15O3/c1-4-8(11)6-7(3)10(13)9(12)5-2/h6,10H,4-5H2,1-3H3 	 183.2243 
 C3COCCO3 	 CCCC(=O)CC(=O)O[O] 	 InChI=1S/C6H9O4/c1-2-3-5(7)4-6(8)10-9/h2-4H2,1H3 	 145.1333 
 C7CO2M5O 	 CC(=O)C=CC(C)([O])C(=O)C 	 InChI=1S/C8H11O3/c1-6(9)4-5-8(3,11)7(2)10/h4-5H,1-3H3 	 155.1711 
 CO2H3CO3H 	 CC(=O)C(O)C(=O)OO 	 InChI=1S/C4H6O5/c1-2(5)3(6)4(7)9-8/h3,6,8H,1H3 	 134.0874 
 C7ADCO 	 O=CC(C)(O)C(C)([O])C(=O)C 	 InChI=1S/C7H11O4/c1-5(9)7(3,11)6(2,10)4-8/h4,10H,1-3H3 	 159.1598 
 C63OH 	 OCC(O)CC(=O)CC 	 InChI=1S/C6H12O3/c1-2-5(8)3-6(9)4-7/h6-7,9H,2-4H2,1H3 	 132.1577 
 HO24C5 	 CC(O)CC(C)O 	 InChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3 	 104.1476 
 C75OOH 	 OOC(CC(=O)C)C(C)C 	 InChI=1S/C7H14O3/c1-5(2)7(10-9)4-6(3)8/h5,7,9H,4H2,1-3H3 	 146.1843 
 MXYMUCCO3 	 CC1(OC1C=CC(=O)C)C(=O)O[O] 	 InChI=1S/C8H9O5/c1-5(9)3-4-6-8(2,12-6)7(10)13-11/h3-4,6H,1-2H3 	 185.1541 
 C129CO 	 O=CCC(=O)C(=O)C1CC(C)(C)C1CC=O 	 InChI=1S/C12H16O4/c1-12(2)7-8(9(12)3-5-13)11(16)10(15)4-6-14/h5-6,8-9H,3-4,7H2,1-2H3 	 224.2530 
 LMKBO 	 CC(=O)C1CCC(C)(O)C([O])C1 	 InChI=1S/C9H15O3/c1-6(10)7-3-4-9(2,12)8(11)5-7/h7-8,12H,3-5H2,1-2H3 	 171.2136 
 C23C54CO3 	 [O]OC(=O)C(C)C(=O)C(=O)C 	 InChI=1S/C6H7O5/c1-3(6(9)11-10)5(8)4(2)7/h3H,1-2H3 	 159.1168 
 C53NO32O2 	 CCC(ON(=O)=O)C(C)O[O] 	 InChI=1S/C5H10NO5/c1-3-5(4(2)11-9)10-6(7)8/h4-5H,3H2,1-2H3 	 164.1366 
 C126CO 	 O=CCC(=C)C1CC(C)(C)C1CC=O 	 InChI=1S/C12H18O2/c1-9(4-6-13)10-8-12(2,3)11(10)5-7-14/h6-7,10-11H,1,4-5,8H2,2-3H3 	 194.2701 
 C67CHO 	 O=CCC(=O)C(C)(C)O 	 InChI=1S/C6H10O3/c1-6(2,9)5(8)3-4-7/h4,9H,3H2,1-2H3 	 130.1418 
 INANCOCO2H 	 O=N(=O)OCC(=O)C(C)(ON(=O)=O)C(=O)O 	 InChI=1S/C5H6N2O9/c1-5(4(9)10,16-7(13)14)3(8)2-15-6(11)12/h2H2,1H3,(H,9,10) 	 238.1091 
 MXYFUONE 	 CC1OC(=O)C(=C1)C 	 InChI=1S/C6H8O2/c1-4-3-5(2)8-6(4)7/h3,5H,1-2H3 	 112.1265 
 MPRBNO3PAN 	 O=N(=O)OOC(=O)C(C)(C)ON(=O)=O 	 InChI=1S/C4H6N2O8/c1-4(2,13-5(8)9)3(7)12-14-6(10)11/h1-2H3 	 210.0990 
 C515CHO 	 O=CCC(=O)C(=O)CC=O 	 InChI=1S/C6H6O4/c7-3-1-5(9)6(10)2-4-8/h3-4H,1-2H2 	 142.1094 
 BOXOHETOH 	 CCCC(O)OCCO 	 InChI=1S/C6H14O3/c1-2-3-6(8)9-5-4-7/h6-8H,2-5H2,1H3 	 134.1736 
 MC6OTKTOOH 	 OOC(C)(OC(=O)C(=O)C)C(=O)C 	 InChI=1S/C7H10O6/c1-4(8)6(10)12-7(3,13-11)5(2)9/h11H,1-3H3 	 190.1507 
 C146OH 	 O=CCC(O)C(=O)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H22O4/c1-9(16)4-5-11-10(8-14(11,2)3)13(18)12(17)6-7-15/h7,10-12,17H,4-6,8H2,1-3H3 	 254.3221 
 CHOC2CO3H 	 OOC(=O)CCC=O 	 InChI=1S/C4H6O4/c5-3-1-2-4(6)8-7/h3,7H,1-2H2 	 118.0880 
 C4M3NO3ONE 	 O=N(=O)OCC(=O)C(C)C 	 InChI=1S/C5H9NO4/c1-4(2)5(7)3-10-6(8)9/h4H,3H2,1-2H3 	 147.1293 
 C146O2 	 O=CCC(O[O])C(=O)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H21O5/c1-9(16)4-5-11-10(8-14(11,2)3)13(17)12(19-18)6-7-15/h7,10-12H,4-6,8H2,1-3H3 	 269.3135 
 PEN2ONE1O2 	 CCCC(=O)CO[O] 	 InChI=1S/C5H9O3/c1-2-3-5(6)4-8-7/h2-4H2,1H3 	 117.1232 
 NC101CO 	 O=N(=O)OC1(C)C(=O)CC2CC1C2(C)C 	 InChI=1S/C10H15NO4/c1-9(2)6-4-7(9)10(3,8(12)5-6)15-11(13)14/h6-7H,4-5H2,1-3H3 	 213.2304 
 NC4OHCPAN 	 O=N(=O)OOC(=O)C(ON(=O)=O)C(C)(C)O 	 InChI=1S/C5H8N2O9/c1-5(2,9)3(14-6(10)11)4(8)15-16-7(12)13/h3,9H,1-2H3 	 240.1250 
 TMBCO3 	 [O]OC(=O)c1cc(C)cc(C)c1 	 InChI=1S/C9H9O3/c1-6-3-7(2)5-8(4-6)9(10)12-11/h3-5H,1-2H3 	 165.1660 
 ETBECO 	 [O]CCOC(C)(C)C 	 InChI=1S/C6H13O2/c1-6(2,3)8-5-4-7/h4-5H2,1-3H3 	 117.1662 
 TM124BPRO2 	 [O]OC1(C)C=CC2(C)OOC1(C)C2O 	 InChI=1S/C9H13O5/c1-7-4-5-8(2,12-11)9(3,6(7)10)14-13-7/h4-6,10H,1-3H3 	 201.1965 
 MXYL1OOH 	 OOc1cccc(C)c1 	 InChI=1S/C7H8O2/c1-6-3-2-4-7(5-6)9-8/h2-5,8H,1H3 	 124.1372 
 BCBOCOO 	 O=CCCC(=[O+][O-])C1CC(C)(C)C1CCC(=O)OC 	 InChI=1S/C14H22O5/c1-14(2)9-10(12(19-17)5-4-8-15)11(14)6-7-13(16)18-3/h8,10-11H,4-7,9H2,1-3H3 	 270.3215 
 EMPHO2 	 CCc1cc(O[O])cc(C)c1 	 InChI=1S/C9H11O2/c1-3-8-4-7(2)5-9(6-8)11-10/h4-6H,3H2,1-2H3 	 151.1824 
 C68OH 	 CC(O)(CC=O)C(C)O 	 InChI=1S/C6H12O3/c1-5(8)6(2,9)3-4-7/h4-5,8-9H,3H2,1-2H3 	 132.1577 
 OXYQOOH 	 OOC1C(O)C(=O)C(=C(C)C1=O)C 	 InChI=1S/C8H10O5/c1-3-4(2)6(10)8(13-12)7(11)5(3)9/h7-8,11-12H,1-2H3 	 186.1620 
 C4CONO3O2 	 [O]OC(C)C(C=O)ON(=O)=O 	 InChI=1S/C4H6NO6/c1-3(11-9)4(2-6)10-5(7)8/h2-4H,1H3 	 164.0935 
 CRESOOH 	 OOC1(O)C=CC2(C)OOC1C2O 	 InChI=1S/C7H10O6/c1-6-2-3-7(9,12-10)5(4(6)8)11-13-6/h2-5,8-10H,1H3 	 190.1507 
 OETLQOOH 	 OOC1C(O)C(=O)C(=C(C)C1=O)CC 	 InChI=1S/C9H12O5/c1-3-5-4(2)6(10)9(14-13)8(12)7(5)11/h8-9,12-13H,3H2,1-2H3 	 200.1886 
 C831NO3 	 O=CCC(O[N+](=O)[O-])C(C)(C)CC=O 	 InChI=1S/C8H13NO5/c1-8(2,4-6-11)7(3-5-10)14-9(12)13/h5-7H,3-4H2,1-2H3 	 203.1925 
 C71O 	 CCC(O)CC(=O)C(C)[O] 	 InChI=1S/C7H13O3/c1-3-6(9)4-7(10)5(2)8/h5-6,9H,3-4H2,1-2H3 	 145.1763 
 HOC4CHOO2 	 OCCCC(O[O])C=O 	 InChI=1S/C5H9O4/c6-3-1-2-5(4-7)9-8/h4-6H,1-3H2 	 133.1226 
 C8OHCO2CO3 	 [O]OC(=O)C=C(C(C)C)C(=O)C(O)C=O 	 InChI=1S/C9H11O6/c1-5(2)6(3-8(12)15-14)9(13)7(11)4-10/h3-5,7,11H,1-2H3 	 215.1800 
 INB1O 	 OCC([O])C(C)(CO)ON(=O)=O 	 InChI=1S/C5H10NO6/c1-5(3-8,4(9)2-7)12-6(10)11/h4,7-8H,2-3H2,1H3 	 180.1360 
 CO3C5CHO 	 CCC(=O)CCC=O 	 InChI=1S/C6H10O2/c1-2-6(8)4-3-5-7/h5H,2-4H2,1H3 	 114.1424 
 HO3C76OOH 	 CCC(O)CCC(C)OO 	 InChI=1S/C7H16O3/c1-3-7(8)5-4-6(2)10-9/h6-9H,3-5H2,1-2H3 	 148.2001 
 C629O 	 OCCC([O])(C=O)C(=O)C 	 InChI=1S/C6H9O4/c1-5(9)6(10,4-8)2-3-7/h4,7H,2-3H2,1H3 	 145.1333 
 C68O2 	 O=CCC(C)(O[O])C(C)O 	 InChI=1S/C6H11O4/c1-5(8)6(2,10-9)3-4-7/h4-5,8H,3H2,1-2H3 	 147.1491 
 C132OOH 	 OCCC(=O)C1(OO)CC(C)(C)C1CCC(=O)C 	 InChI=1S/C13H22O5/c1-9(15)4-5-10-12(2,3)8-13(10,18-17)11(16)6-7-14/h10,14,17H,4-8H2,1-3H3 	 258.3108 
 C6CO3OHOOH 	 OOC(C)C(=O)CC(C)O 	 InChI=1S/C6H12O4/c1-4(7)3-6(8)5(2)10-9/h4-5,7,9H,3H2,1-2H3 	 148.1571 
 HIEB1O2 	 OCC(O)C(CO)(O[O])C=O 	 InChI=1S/C5H9O6/c6-1-4(9)5(2-7,3-8)11-10/h2,4,6,8-9H,1,3H2 	 165.1214 
 HO3C5CO3H 	 CCC(O)CCC(=O)OO 	 InChI=1S/C6H12O4/c1-2-5(7)3-4-6(8)10-9/h5,7,9H,2-4H2,1H3 	 148.1571 
 PPRBQOOH 	 CCCC(=CC(=O)COO)C(=O)CO.O=C1CCC(=O)C(=C1)C 	 InChI=1S/C9H14O5.C7H8O2/c1-2-3-7(9(12)5-10)4-8(11)6-14-13;1-5-4-6(8)2-3-7(5)9/h4,10,13H,2-3,5-6H2,1H3;4H,2-3H2,1H3 	 326.3417 
 C8DBCO2CO3 	 O=CC(=O)C=C(C(C)C)C(=O)O[O] 	 InChI=1S/C8H9O5/c1-5(2)7(8(11)13-12)3-6(10)4-9/h3-5H,1-2H3 	 185.1541 
 NPETOL1OOH 	 CCc1ccc(C)c(N(=O)=O)c1OO 	 InChI=1S/C9H11NO4/c1-3-7-5-4-6(2)8(10(11)12)9(7)14-13/h4-5,13H,3H2,1-2H3 	 197.1879 
 ACO2H 	 OC(=O)C=C 	 InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5) 	 72.0627 
 C5H11CO3 	 CCCCCC(=O)O[O] 	 InChI=1S/C6H11O3/c1-2-3-4-5-6(7)9-8/h2-5H2,1H3 	 131.1497 
 BUTDANO3 	 OCC=CCON(=O)=O 	 InChI=1S/C4H7NO4/c6-3-1-2-4-9-5(7)8/h1-2,6H,3-4H2 	 133.1027 
 NPROACET 	 CCCOC(=O)C 	 InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3 	 102.1317 
 C137CO3H 	 OOC(=O)CCC(=C)C1CC(C)(C)C1CCC(=O)O 	 InChI=1S/C14H22O5/c1-9(4-7-13(17)19-18)10-8-14(2,3)11(10)5-6-12(15)16/h10-11,18H,1,4-8H2,2-3H3,(H,15,16) 	 270.3215 
 C6H5CH2CO3 	 [O]OC(=O)Cc1ccccc1 	 InChI=1S/C8H7O3/c9-8(11-10)6-7-4-2-1-3-5-7/h1-5H,6H2 	 151.1394 
 NBUACCOOH 	 CCCC(OO)OC(=O)C 	 InChI=1S/C6H12O4/c1-3-4-6(10-8)9-5(2)7/h6,8H,3-4H2,1-2H3 	 148.1571 
 C6TRONOHO2 	 [O]OC(CC=O)C(=O)C(=O)CO 	 InChI=1S/C6H7O6/c7-2-1-5(12-11)6(10)4(9)3-8/h2,5,8H,1,3H2 	 175.1162 
 IPRCHOOA 	 [O-][O+]CC(C)C 	 InChI=1S/C4H9O2/c1-4(2)3-6-5/h4H,3H2,1-2H3 	 89.1131 
 C618CO2H 	 O=CCC(=O)C(C)(C)C(=O)O 	 InChI=1S/C7H10O4/c1-7(2,6(10)11)5(9)3-4-8/h4H,3H2,1-2H3,(H,10,11) 	 158.1519 
 C612O 	 [O]CC(=O)C(C)(C)CO 	 InChI=1S/C6H11O3/c1-6(2,4-8)5(9)3-7/h8H,3-4H2,1-2H3 	 131.1497 
 CO24C63O2 	 [O]OC(C(=O)C)C(=O)CC 	 InChI=1S/C6H9O4/c1-3-5(8)6(10-9)4(2)7/h6H,3H2,1-2H3 	 145.1333 
 NC4MDCO2H 	 O=CC(=C(C)C(=O)O)N(=O)=O 	 InChI=1S/C5H5NO5/c1-3(5(8)9)4(2-7)6(10)11/h2H,1H3,(H,8,9) 	 159.0969 
 C79OOH 	 OOCC(C)(O)C(=O)CC(=O)C 	 InChI=1S/C7H12O5/c1-5(8)3-6(9)7(2,10)4-12-11/h10-11H,3-4H2,1-2H3 	 176.1672 
 NDNT123LO 	 O=N(=O)OC1(C)C2(C)OOC1(N(=O)=O)C([O])(O)C(=C2C)N(=O)=O 	 InChI=1S/C9H10N3O11/c1-4-5(10(15)16)8(13,14)9(11(17)18)7(3,21-12(19)20)6(4,2)22-23-9/h13H,1-3H3 	 336.1892 
 BCCO 	 OCC1([O])CC\C=C(\C)/CCC2C1CC2(C)C 	 InChI=1S/C15H25O2/c1-11-5-4-8-15(17,10-16)13-9-14(2,3)12(13)7-6-11/h5,12-13,16H,4,6-10H2,1-3H3/b11-5- 	 237.3578 
 MC5CO2OHO2 	 O=CC(O)C(C)(O[O])C(=O)C 	 InChI=1S/C6H9O5/c1-4(8)6(2,11-10)5(9)3-7/h3,5,9H,1-2H3 	 161.1327 
 ETBECO2 	 [O]OCCOC(C)(C)C 	 InChI=1S/C6H13O3/c1-6(2,3)8-4-5-9-7/h4-5H2,1-3H3 	 133.1656 
 IPBFUOOH 	 OOC1C(=O)OC(C(C)C)C1O 	 InChI=1S/C7H12O5/c1-3(2)5-4(8)6(12-10)7(9)11-5/h3-6,8,10H,1-2H3 	 176.1672 
 C518CO2H 	 OCC(C(=C)C)C(=O)O 	 InChI=1S/C6H10O3/c1-4(2)5(3-7)6(8)9/h5,7H,1,3H2,2H3,(H,8,9) 	 130.1418 
 C2CL2OH2 	 OC(Cl)C(O)Cl 	 InChI=1S/C2H4Cl2O2/c3-1(5)2(4)6/h1-2,5-6H 	 130.9580 
 HM23C4O 	 OCC(C)C(C)C[O] 	 InChI=1S/C6H13O2/c1-5(3-7)6(2)4-8/h5-7H,3-4H2,1-2H3 	 117.1662 
 NBUTDAOOH 	 OOC(C=C)CON(=O)=O 	 InChI=1S/C4H7NO5/c1-2-4(10-8)3-9-5(6)7/h2,4,8H,1,3H2 	 149.1021 
 HM2C43CHO 	 OCC(C)C(C)C=O 	 InChI=1S/C6H12O2/c1-5(3-7)6(2)4-8/h3,5-6,8H,4H2,1-2H3 	 116.1583 
 NOETLQO 	 CCC1=C(C)C(=O)C([O])C(ON(=O)=O)C1=O 	 InChI=1S/C9H10NO6/c1-3-5-4(2)6(11)8(13)9(7(5)12)16-10(14)15/h8-9H,3H2,1-2H3 	 228.1788 
 MACRO 	 CC([O])(CO)C=O 	 InChI=1S/C4H7O3/c1-4(7,2-5)3-6/h2,6H,3H2,1H3 	 103.0966 
 ACCOPROOH 	 CC(CC(=O)OC(=O)C)OO 	 InChI=1S/C6H10O5/c1-4(11-9)3-6(8)10-5(2)7/h4,9H,3H2,1-2H3 	 162.1406 
 C111OOH 	 CCCCCCC(OO)CC(=O)CC 	 InChI=1S/C11H22O3/c1-3-5-6-7-8-11(14-13)9-10(12)4-2/h11,13H,3-9H2,1-2H3 	 202.2906 
 PRONEMOXO 	 COC([O])C(=O)C 	 InChI=1S/C4H7O3/c1-3(5)4(6)7-2/h4H,1-2H3 	 103.0966 
 C23O3ECO2H 	 CCC(OC(=O)C(=O)C)C(=O)O 	 InChI=1S/C7H10O5/c1-3-5(6(9)10)12-7(11)4(2)8/h5H,3H2,1-2H3,(H,9,10) 	 174.1513 
 M3PECOOH 	 CCC(C)(CC)OO 	 InChI=1S/C6H14O2/c1-4-6(3,5-2)8-7/h7H,4-5H2,1-3H3 	 118.1742 
 C2CL2OHO 	 OC(Cl)C([O])Cl 	 InChI=1S/C2H3Cl2O2/c3-1(5)2(4)6/h1-2,5H 	 129.9500 
 ETBECOH 	 OCCOC(C)(C)C 	 InChI=1S/C6H14O2/c1-6(2,3)8-5-4-7/h7H,4-5H2,1-3H3 	 118.1742 
 C104OOH 	 CCCCC(=O)C(OO)CC(=O)CC 	 InChI=1S/C10H18O4/c1-3-5-6-9(12)10(14-13)7-8(11)4-2/h10,13H,3-7H2,1-2H3 	 202.2475 
 C97O 	 OCC1CC([O])(C(=O)C)C1(C)C 	 InChI=1S/C9H15O3/c1-6(11)9(12)4-7(5-10)8(9,2)3/h7,10H,4-5H2,1-3H3 	 171.2136 
 CO2C54CO3H 	 CC(CC(=O)C)C(=O)OO 	 InChI=1S/C6H10O4/c1-4(3-5(2)7)6(8)10-9/h4,9H,3H2,1-2H3 	 146.1412 
 NC728OOH 	 O=CCC(CO)C(C)(OO)CO[N+](=O)[O-] 	 InChI=1S/C7H13NO7/c1-7(15-13,5-14-8(11)12)6(4-10)2-3-9/h3,6,10,13H,2,4-5H2,1H3 	 223.1806 
 C93O2 	 CCCC(O)C(O[O])CC(=O)CC 	 InChI=1S/C9H17O4/c1-3-5-8(11)9(13-12)6-7(10)4-2/h8-9,11H,3-6H2,1-2H3 	 189.2289 
 C235C6CO3H 	 OOC(=O)CC(=O)CC(=O)C(=O)C 	 InChI=1S/C7H8O6/c1-4(8)6(10)2-5(9)3-7(11)13-12/h12H,2-3H2,1H3 	 188.1348 
 HO1C4NO3 	 OCCCCON(=O)=O 	 InChI=1S/C4H9NO4/c6-3-1-2-4-9-5(7)8/h6H,1-4H2 	 135.1186 
 C5COCHOOOH 	 OOCC(=O)CCC=O 	 InChI=1S/C5H8O4/c6-3-1-2-5(7)4-9-8/h3,8H,1-2,4H2 	 132.1146 
 NEOPO2 	 [O]OCC(C)(C)C 	 InChI=1S/C5H11O2/c1-5(2,3)4-7-6/h4H2,1-3H3 	 103.1396 
 CH3SOO 	 CSO[O] 	 InChI=1S/CH3O2S/c1-4-3-2/h1H3 	 79.0983 
 C719O2 	 [O]OC1(C)C(O)CC(=O)CC1O 	 InChI=1S/C7H11O5/c1-7(12-11)5(9)2-4(8)3-6(7)10/h5-6,9-10H,2-3H2,1H3 	 175.1592 
 C9DCO2 	 [O]OC1C2C(=O)CC(=O)C1C2(C)C 	 InChI=1S/C9H11O4/c1-9(2)6-4(10)3-5(11)7(9)8(6)13-12/h6-8H,3H2,1-2H3 	 183.1812 
 NPRACBOH 	 CCC(O)OC(=O)C 	 InChI=1S/C5H10O3/c1-3-5(7)8-4(2)6/h5,7H,3H2,1-2H3 	 118.1311 
 HO1C4O2 	 OCCCCO[O] 	 InChI=1S/C4H9O3/c5-3-1-2-4-7-6/h5H,1-4H2 	 105.1125 
 EPXM2DCO2H 	 O=CC1(C)OC1(C)C(=O)O 	 InChI=1S/C6H8O4/c1-5(3-7)6(2,10-5)4(8)9/h3H,1-2H3,(H,8,9) 	 144.1253 
 C615PAN 	 O=CC(C(=O)OON(=O)=O)C(C)(C)C=O 	 InChI=1S/C7H9NO7/c1-7(2,4-10)5(3-9)6(11)14-15-8(12)13/h3-5H,1-2H3 	 219.1489 
 C1211O2 	 [O]OCCC(=O)C1CC(C)(C)C1CCC(=O)O 	 InChI=1S/C12H19O5/c1-12(2)7-8(10(13)5-6-17-16)9(12)3-4-11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15) 	 243.2763 
 C830CO3 	 O=CCC1C(CC1(C)C)C(=O)O[O] 	 InChI=1S/C9H13O4/c1-9(2)5-6(8(11)13-12)7(9)3-4-10/h4,6-7H,3,5H2,1-2H3 	 185.1971 
 C23O3ECO3 	 [O]OC(=O)C(CC)OC(=O)C(=O)C 	 InChI=1S/C7H9O6/c1-3-5(7(10)13-11)12-6(9)4(2)8/h5H,3H2,1-2H3 	 189.1428 
 C1211OH 	 OCCC(=O)C1CC(C)(C)C1CCC(=O)O 	 InChI=1S/C12H20O4/c1-12(2)7-8(10(14)5-6-13)9(12)3-4-11(15)16/h8-9,13H,3-7H2,1-2H3,(H,15,16) 	 228.2848 
 OXYBIPERO 	 OC1C2C=CC(C)([O])C1(C)OO2 	 InChI=1S/C8H11O4/c1-7(10)4-3-5-6(9)8(7,2)12-11-5/h3-6,9H,1-2H3 	 171.1705 
 C9DCOH 	 O=C1CC(=O)C2C(O)C1C2(C)C 	 InChI=1S/C9H12O3/c1-9(2)6-4(10)3-5(11)7(9)8(6)12/h6-8,12H,3H2,1-2H3 	 168.1898 
 C719OH 	 O=C1CC(O)C(C)(O)C(O)C1 	 InChI=1S/C7H12O4/c1-7(11)5(9)2-4(8)3-6(7)10/h5-6,9-11H,2-3H2,1H3 	 160.1678 
 C8236CO 	 CCC(=O)C=CC(=O)C(=O)C 	 InChI=1S/C8H10O3/c1-3-7(10)4-5-8(11)6(2)9/h4-5H,3H2,1-2H3 	 154.1632 
 BUT2CO3 	 CC(CC)C(=O)O[O] 	 InChI=1S/C5H9O3/c1-3-4(2)5(6)8-7/h4H,3H2,1-2H3 	 117.1232 
 CH3SO2 	 C[S](=O)=O 	 InChI=1S/CH4O2S/c1-4(2)3/h4H,1H3 	 79.0983 
 CH3SO3 	 CS(=O)(=O)[O] 	 InChI=1S/CH3O3S/c1-5(2,3)4/h1H3 	 95.0977 
 NEOPOH 	 OCC(C)(C)C 	 InChI=1S/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3 	 88.1482 
 C918CHO 	 O=CC1(O)CCC2CC1C2(C)C 	 InChI=1S/C10H16O2/c1-9(2)7-3-4-10(12,6-11)8(9)5-7/h6-8,12H,3-5H2,1-2H3 	 168.2328 
 MEMOXYCO3 	 COCC(=O)O[O] 	 InChI=1S/C3H5O4/c1-6-2-3(4)7-5/h2H2,1H3 	 105.0694 
 C105OOH 	 CCCCC(=O)C(=O)C(OO)C(=O)CC 	 InChI=1S/C10H16O5/c1-3-5-6-8(12)9(13)10(15-14)7(11)4-2/h10,14H,3-6H2,1-2H3 	 216.2310 
 HO5CO8C10 	 CCCCC(O)CCC(=O)CC 	 InChI=1S/C10H20O2/c1-3-5-6-10(12)8-7-9(11)4-2/h10,12H,3-8H2,1-2H3 	 172.2646 
 C93OH 	 CCCC(O)C(O)CC(=O)CC 	 InChI=1S/C9H18O3/c1-3-5-8(11)9(12)6-7(10)4-2/h8-9,11-12H,3-6H2,1-2H3 	 174.2374 
 CY6DIONOH 	 OC1CC(=O)CC(=O)C1 	 InChI=1S/C6H8O3/c7-4-1-5(8)3-6(9)2-4/h4,7H,1-3H2 	 128.1259 
 C6CO4DB 	 O=CC(=O)C=CC(=O)C=O 	 InChI=1S/C6H4O4/c7-3-5(9)1-2-6(10)4-8/h1-4H 	 140.0936 
 MALANHY2OH 	 O=C1OC(=O)C(O)C1O 	 InChI=1S/C4H4O5/c5-1-2(6)4(8)9-3(1)7/h1-2,5-6H 	 132.0716 
 C55O2 	 [O]OCC(=O)C(C)(C)O 	 InChI=1S/C5H9O4/c1-5(2,7)4(6)3-9-8/h7H,3H2,1-2H3 	 133.1226 
 NOETOLO 	 CCC1=C(C)C2OOC(C2ON(=O)=O)C1(O)[O] 	 InChI=1S/C9H12NO7/c1-3-5-4(2)6-7(15-10(13)14)8(17-16-6)9(5,11)12/h6-8,11H,3H2,1-2H3 	 246.1941 
 C1215CO 	 O=CCCC(=O)C(=O)CC(C)(C)C(=O)CCO 	 InChI=1S/C12H18O5/c1-12(2,11(17)5-7-14)8-10(16)9(15)4-3-6-13/h6,14H,3-5,7-8H2,1-2H3 	 242.2683 
 ACCOMEPAN 	 O=C(OON(=O)=O)CC(=O)OC(=O)C 	 InChI=1S/C5H5NO8/c1-3(7)12-4(8)2-5(9)13-14-6(10)11/h2H2,1H3 	 207.0951 
 C4ME22OH 	 CC(C)(O)C(C)(C)O 	 InChI=1S/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,1-4H3 	 118.1742 
 HO3C4NO3 	 CCC(O)CON(=O)=O 	 InChI=1S/C4H9NO4/c1-2-4(6)3-9-5(7)8/h4,6H,2-3H2,1H3 	 135.1186 
 CH3OCH2O2 	 COCO[O] 	 InChI=1S/C2H5O3/c1-4-2-5-3/h2H2,1H3 	 77.0593 
 CY6TRIONO2 	 [O]OCC(=O)CC(=O)CC=O 	 InChI=1S/C6H7O5/c7-2-1-5(8)3-6(9)4-11-10/h2H,1,3-4H2 	 159.1168 
 CH3OCH2OH 	 COCO 	 InChI=1S/C2H6O2/c1-4-2-3/h3H,2H2,1H3 	 62.0678 
 C517CO3H 	 OCC(CC(=O)OO)C(=O)C 	 InChI=1S/C6H10O5/c1-4(8)5(3-7)2-6(9)11-10/h5,7,10H,2-3H2,1H3 	 162.1406 
 M33C4OH 	 CCC(C)(C)CO 	 InChI=1S/C6H14O/c1-4-6(2,3)5-7/h7H,4-5H2,1-3H3 	 102.1748 
 H3C25C5CHO 	 O=CC(=O)CC(O)C(=O)C 	 InChI=1S/C6H8O4/c1-4(8)6(10)2-5(9)3-7/h3,6,10H,2H2,1H3 	 144.1253 
 INB1HPPAN 	 OOC(C(=O)OON(=O)=O)C(C)(CO)ON(=O)=O 	 InChI=1S/C5H8N2O11/c1-5(2-8,17-6(10)11)3(15-14)4(9)16-18-7(12)13/h3,8,14H,2H2,1H3 	 272.1238 
 BCKBOOH 	 OOC1CCC(=O)C2CC(C)(C)C2CCC1(C)O 	 InChI=1S/C14H24O4/c1-13(2)8-9-10(13)6-7-14(3,16)12(18-17)5-4-11(9)15/h9-10,12,16-17H,4-8H2,1-3H3 	 256.3380 
 CY6DIONO2 	 [O]OC1CC(=O)CC(=O)C1 	 InChI=1S/C6H7O4/c7-4-1-5(8)3-6(2-4)10-9/h6H,1-3H2 	 143.1174 
 BOXCOEOL 	 CCCCOC(=O)C(C)O 	 InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3 	 146.1843 
 MC6OTKETOH 	 O=C(OC(C)(O)C(=O)C)C(=O)C 	 InChI=1S/C7H10O5/c1-4(8)6(10)12-7(3,11)5(2)9/h11H,1-3H3 	 174.1513 
 PBZBPEROOH 	 CCCC12OOC(C(OO)C=C1)C2O 	 InChI=1S/C9H14O5/c1-2-4-9-5-3-6(12-11)7(8(9)10)13-14-9/h3,5-8,10-11H,2,4H2,1H3 	 202.2045 
 M23C43O2 	 [O]OC(C)(C)C(C)C 	 InChI=1S/C6H13O2/c1-5(2)6(3,4)8-7/h5H,1-4H3 	 117.1662 
 PXYMUCCO 	 O=CC1OC1(C)C(O)C(=O)C(=O)C 	 InChI=1S/C8H10O5/c1-4(10)6(11)7(12)8(2)5(3-9)13-8/h3,5,7,12H,1-2H3 	 186.1620 
 ME2BUOLO2 	 [O]OC(C)(C)C(C)O 	 InChI=1S/C5H11O3/c1-4(6)5(2,3)8-7/h4,6H,1-3H3 	 119.1390 
 DMKOHO2 	 [O]OC(C(=O)C)C(O)C(=O)C 	 InChI=1S/C6H9O5/c1-3(7)5(9)6(11-10)4(2)8/h5-6,9H,1-2H3 	 161.1327 
 NTM135LOOH 	 OOC1(O)C(=CC2(C)OOC1(C)C2ON(=O)=O)C 	 InChI=1S/C9H13NO8/c1-5-4-7(2)6(15-10(12)13)8(3,18-17-7)9(5,11)16-14/h4,6,11,14H,1-3H3 	 263.2014 
 ENCATECO 	 CCC12OOC(C(=C(O)C2([O])O)N(=O)=O)C1O 	 InChI=1S/C8H10NO8/c1-2-7-6(11)4(16-17-7)3(9(14)15)5(10)8(7,12)13/h4,6,10-12H,2H2,1H3 	 248.1669 
 DNEBNZOL 	 CCc1cc(cc(N(=O)=O)c1O)N(=O)=O 	 InChI=1S/C8H8N2O5/c1-2-5-3-6(9(12)13)4-7(8(5)11)10(14)15/h3-4,11H,2H2,1H3 	 212.1595 
 M23C43OH 	 CC(C)C(C)(C)O 	 InChI=1S/C6H14O/c1-5(2)6(3,4)7/h5,7H,1-4H3 	 102.1748 
 DEMPHSMS1O 	 CCc1cc(CC)c([O])c(C)c1 	 InChI=1S/C11H15O/c1-4-9-6-8(3)11(12)10(5-2)7-9/h6-7H,4-5H2,1-3H3 	 163.2362 
 C52NO31O2 	 CCCC(CO[O])ON(=O)=O 	 InChI=1S/C5H10NO5/c1-2-3-5(4-10-9)11-6(7)8/h5H,2-4H2,1H3 	 164.1366 
 MBOAO 	 OCC([O])C(C)(C)O 	 InChI=1S/C5H11O3/c1-5(2,8)4(7)3-6/h4,6,8H,3H2,1-2H3 	 119.1390 
 BPINAO 	 OCC1([O])CCC2CC1C2(C)C 	 InChI=1S/C10H17O2/c1-9(2)7-3-4-10(12,6-11)8(9)5-7/h7-8,11H,3-6H2,1-2H3 	 169.2408 
 MXCATEC1O2 	 [O]Oc1c(C)cc(C)cc1O 	 InChI=1S/C8H9O3/c1-5-3-6(2)8(11-10)7(9)4-5/h3-4,9H,1-2H3 	 153.1553 
 PBZMUCCO3H 	 CCCC(=O)C=CC1OC1C(=O)OO 	 InChI=1S/C9H12O5/c1-2-3-6(10)4-5-7-8(13-7)9(11)14-12/h4-5,7-8,12H,2-3H2,1H3 	 200.1886 
 C7MO3OHOOH 	 O=CC(=O)C(O)C(OO)C(=O)C(C)C 	 InChI=1S/C8H12O6/c1-4(2)6(11)8(14-13)7(12)5(10)3-9/h3-4,7-8,12-13H,1-2H3 	 204.1773 
 C4NO3M2OOH 	 OOC(C)C(C)(C)ON(=O)=O 	 InChI=1S/C5H11NO5/c1-4(10-9)5(2,3)11-6(7)8/h4,9H,1-3H3 	 165.1445 
 BZFUONOO 	 [O-][O+]=CC(=O)OCC=O 	 InChI=1S/C4H4O5/c5-1-2-8-4(6)3-9-7/h1,3H,2H2 	 132.0716 
 NEOPOOH 	 OOCC(C)(C)C 	 InChI=1S/C5H12O2/c1-5(2,3)4-7-6/h6H,4H2,1-3H3 	 104.1476 
 MTBKO 	 [O]CC(C)(C)C(=O)C 	 InChI=1S/C6H11O2/c1-5(8)6(2,3)4-7/h4H2,1-3H3 	 115.1503 
 TM135MUOOH 	 OOC(C)(C(O)C(=O)C)C1OC1(C)C=O 	 InChI=1S/C9H14O6/c1-5(11)6(12)9(3,15-13)7-8(2,4-10)14-7/h4,6-7,12-13H,1-3H3 	 218.2039 
 C116CO3 	 O=CCC1C(CC1(C)C)C(=O)CCC(=O)O[O] 	 InChI=1S/C12H17O5/c1-12(2)7-8(9(12)5-6-13)10(14)3-4-11(15)17-16/h6,8-9H,3-5,7H2,1-2H3 	 241.2604 
 C920O2 	 [O]OCC1CC(C(=O)CO)C1(C)C 	 InChI=1S/C9H15O4/c1-9(2)6(5-13-12)3-7(9)8(11)4-10/h6-7,10H,3-5H2,1-2H3 	 187.2130 
 C512NO3 	 O=CCC(=O)CCON(=O)=O 	 InChI=1S/C5H7NO5/c7-3-1-5(8)2-4-11-6(9)10/h3H,1-2,4H2 	 161.1128 
 C8OHO2CO3H 	 CCCC(=CC(=O)OO)C(=O)C(O)C=O 	 InChI=1S/C9H12O6/c1-2-3-6(4-8(12)15-14)9(13)7(11)5-10/h4-5,7,11,14H,2-3H2,1H3 	 216.1880 
 TM124NO2O2 	 [O]OC1(O)C=C(C)C2(C)OOC1(N(=O)=O)C2O 	 InChI=1S/C8H10NO8/c1-4-3-7(11,15-14)8(9(12)13)5(10)6(4,2)16-17-8/h3,5,10-11H,1-2H3 	 248.1669 
 PPRBQO2 	 CCCC(=CC(=O)CO[O])C(=O)CO.O=C1CCC(=O)C(=C1)C 	 InChI=1S/C9H13O5.C7H8O2/c1-2-3-7(9(12)5-10)4-8(11)6-14-13;1-5-4-6(8)2-3-7(5)9/h4,10H,2-3,5-6H2,1H3;4H,2-3H2,1H3 	 325.3337 
 C5PAN19 	 OCC=C(C)C(=O)OON(=O)=O 	 InChI=1S/C5H7NO6/c1-4(2-3-7)5(8)11-12-6(9)10/h2,7H,3H2,1H3 	 177.1122 
 C5PAN18 	 O=N(=O)OCC(=CC(=O)OON(=O)=O)C 	 InChI=1S/C5H6N2O8/c1-4(3-13-6(9)10)2-5(8)14-15-7(11)12/h2H,3H2,1H3 	 222.1097 
 C5PAN11 	 O=N(=O)OOC(=O)CC(C)(C)O 	 InChI=1S/C5H9NO6/c1-5(2,8)3-4(7)11-12-6(9)10/h8H,3H2,1-2H3 	 179.1281 
 C5PAN10 	 CC(O)CC(O)C(=O)OON(=O)=O 	 InChI=1S/C5H9NO7/c1-3(7)2-4(8)5(9)12-13-6(10)11/h3-4,7-8H,2H2,1H3 	 195.1275 
 C5PAN13 	 OCC(C)C(O)C(=O)OON(=O)=O 	 InChI=1S/C5H9NO7/c1-3(2-7)4(8)5(9)12-13-6(10)11/h3-4,7-8H,2H2,1H3 	 195.1275 
 C5PAN12 	 OCCC(C)(O)C(=O)OON(=O)=O 	 InChI=1S/C5H9NO7/c1-5(9,2-3-7)4(8)12-13-6(10)11/h7,9H,2-3H2,1H3 	 195.1275 
 C5PAN15 	 OCC(C)(C)C(=O)OON(=O)=O 	 InChI=1S/C5H9NO6/c1-5(2,3-7)4(8)11-12-6(9)10/h7H,3H2,1-2H3 	 179.1281 
 C5PAN14 	 O=N(=O)OOC(=O)C(C)C(C)O 	 InChI=1S/C5H9NO6/c1-3(4(2)7)5(8)11-12-6(9)10/h3-4,7H,1-2H3 	 179.1281 
 C5PAN17 	 OCC(=CC(=O)OON(=O)=O)C 	 InChI=1S/C5H7NO6/c1-4(3-7)2-5(8)11-12-6(9)10/h2,7H,3H2,1H3 	 177.1122 
 C5PAN16 	 CCC(=O)CC(=O)OON(=O)=O 	 InChI=1S/C5H7NO6/c1-2-4(7)3-5(8)11-12-6(9)10/h2-3H2,1H3 	 177.1122 
 C820O2 	 OCC(O[O])(CC(=O)C(=O)C)C(=O)C 	 InChI=1S/C8H11O6/c1-5(10)7(12)3-8(4-9,14-13)6(2)11/h9H,3-4H2,1-2H3 	 203.1693 
 PPRBQOH 	 CCCC(=CC(=O)CO)C(=O)CO.O=C1CCC(=O)C(=C1)C 	 InChI=1S/C9H14O4.C7H8O2/c1-2-3-7(9(13)6-11)4-8(12)5-10;1-5-4-6(8)2-3-7(5)9/h4,10-11H,2-3,5-6H2,1H3;4H,2-3H2,1H3 	 310.3423 
 C7DCPAN 	 CCCC(=O)C=CC(=O)OON(=O)=O 	 InChI=1S/C7H9NO6/c1-2-3-6(9)4-5-7(10)13-14-8(11)12/h4-5H,2-3H2,1H3 	 203.1495 
 BOXPRONEAO 	 CCCC([O])OCC(=O)C 	 InChI=1S/C7H13O3/c1-3-4-7(9)10-5-6(2)8/h7H,3-5H2,1-2H3 	 145.1763 
 HO3C5CO3 	 CCC(O)CCC(=O)O[O] 	 InChI=1S/C6H11O4/c1-2-5(7)3-4-6(8)10-9/h5,7H,2-4H2,1H3 	 147.1491 
 HO3C3PAN 	 CCC(O)C(=O)OON(=O)=O 	 InChI=1S/C4H7NO6/c1-2-3(6)4(7)10-11-5(8)9/h3,6H,2H2,1H3 	 165.1015 
 HO12CO3C4 	 CC(=O)C(O)CO 	 InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h4-5,7H,2H2,1H3 	 104.1045 
 C3MNO3PAN 	 O=N(=O)OOC(=O)C(ON(=O)=O)C(C)C 	 InChI=1S/C5H8N2O8/c1-3(2)4(13-6(9)10)5(8)14-15-7(11)12/h3-4H,1-2H3 	 224.1256 
 CHOCL 	 ClC=O 	 InChI=1S/CHClO/c2-1-3/h1H 	 64.4710 
 C826CO3OOH 	 OOC(C=CC(=O)CC)C(=O)C 	 InChI=1S/C8H12O4/c1-3-7(10)4-5-8(12-11)6(2)9/h4-5,8,11H,3H2,1-2H3 	 172.1785 
 HEXCO 	 CCCC([O])CC 	 InChI=1S/C6H13O/c1-3-5-6(7)4-2/h6H,3-5H2,1-2H3 	 101.1668 
 H13CO2CO3 	 OCC(=O)C(O)C(=O)O[O] 	 InChI=1S/C4H5O6/c5-1-2(6)3(7)4(8)10-9/h3,5,7H,1H2 	 149.0789 
 HO13M2C4 	 OCC(C)C(C)O 	 InChI=1S/C5H12O2/c1-4(3-6)5(2)7/h4-7H,3H2,1-2H3 	 104.1476 
 PHIC3NO3 	 O=N(=O)OC(C)(C)c1ccccc1 	 InChI=1S/C9H11NO3/c1-9(2,13-10(11)12)8-6-4-3-5-7-8/h3-7H,1-2H3 	 181.1885 
 EOX2ETA2OH 	 CCOC(O)CO 	 InChI=1S/C4H10O3/c1-2-7-4(6)3-5/h4-6H,2-3H2,1H3 	 106.1204 
 CHCL2O 	 [O]C(Cl)Cl 	 InChI=1S/CHCl2O/c2-1(3)4/h1H 	 99.9240 
 PMALNHYOOH 	 CCCC1(OO)C(=O)OC(=O)C1O 	 InChI=1S/C7H10O6/c1-2-3-7(13-11)4(8)5(9)12-6(7)10/h4,8,11H,2-3H2,1H3 	 190.1507 
 HEX2ONANO3 	 CCC(CC(=O)C)ON(=O)=O 	 InChI=1S/C6H11NO4/c1-3-6(4-5(2)8)11-7(9)10/h6H,3-4H2,1-2H3 	 161.1558 
 NPRACBNO3 	 CCC(OC(=O)C)ON(=O)=O 	 InChI=1S/C5H9NO5/c1-3-5(10-4(2)7)11-6(8)9/h5H,3H2,1-2H3 	 163.1287 
 C622CHO 	 CC(=C)C(CC=O)CO 	 InChI=1S/C7H12O2/c1-6(2)7(5-9)3-4-8/h4,7,9H,1,3,5H2,2H3 	 128.1690 
 BUTDBO2 	 OCC(O[O])C=C 	 InChI=1S/C4H7O3/c1-2-4(3-5)7-6/h2,4-5H,1,3H2 	 103.0966 
 C4ECO2O2 	 CCC(O[O])(C=O)C(=O)C 	 InChI=1S/C6H9O4/c1-3-6(4-7,10-9)5(2)8/h4H,3H2,1-2H3 	 145.1333 
 MPRBNO3CHO 	 O=CC(C)(C)ON(=O)=O 	 InChI=1S/C4H7NO4/c1-4(2,3-6)9-5(7)8/h3H,1-2H3 	 133.1027 
 C4OHCO3 	 CCCC(O)C(=O)O[O] 	 InChI=1S/C5H9O4/c1-2-3-4(6)5(7)9-8/h4,6H,2-3H2,1H3 	 133.1226 
 BCKET 	 C/C1=C/CCC(=O)C2CC(C)(C)C2CC\1 	 InChI=1S/C14H22O/c1-10-5-4-6-13(15)11-9-14(2,3)12(11)8-7-10/h5,11-12H,4,6-9H2,1-3H3/b10-5- 	 206.3239 
 C111O2 	 CCCCCCC(O[O])CC(=O)CC 	 InChI=1S/C11H21O3/c1-3-5-6-7-8-11(14-13)9-10(12)4-2/h11H,3-9H2,1-2H3 	 201.2826 
 BRETO2H 	 OC(=O)CBr 	 InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5) 	 138.9480 
 DMMALANHY 	 O=C1OC(=O)C(=C1C)C 	 InChI=1S/C6H6O3/c1-3-4(2)6(8)9-5(3)7/h1-2H3 	 126.1100 
 KLIMONONIC 	 CC(=O)CCC(CC(=O)O)C(=O)C 	 InChI=1S/C9H14O4/c1-6(10)3-4-8(7(2)11)5-9(12)13/h8H,3-5H2,1-2H3,(H,12,13) 	 186.2051 
 MECOACETO2 	 CC(=O)OC(=O)CO[O] 	 InChI=1S/C4H5O5/c1-3(5)9-4(6)2-8-7/h2H2,1H3 	 133.0795 
 IPGLOO 	 [O-][O+]CC(=O)C(C)C 	 InChI=1S/C5H9O3/c1-4(2)5(6)3-8-7/h4H,3H2,1-2H3 	 117.1232 
 C142NO3 	 OCCC(=C)C1(O[N+](=O)[O-])CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H23NO5/c1-10(7-8-16)14(20-15(18)19)9-13(3,4)12(14)6-5-11(2)17/h12,16H,1,5-9H2,2-4H3 	 285.3361 
 TBUACCO 	 O=CC(C)(C)OC(=O)C 	 InChI=1S/C6H10O3/c1-5(8)9-6(2,3)4-7/h4H,1-3H3 	 130.1418 
 CH2CL3O2 	 ClCC(Cl)(Cl)O[O] 	 InChI=1S/C2H2Cl3O2/c3-1-2(4,5)7-6/h1H2 	 164.3951 
 MXYLO2 	 [O]OCc1cccc(C)c1 	 InChI=1S/C8H9O2/c1-7-3-2-4-8(5-7)6-10-9/h2-5H,6H2,1H3 	 137.1559 
 NIPBNZ1O 	 CC(C)c1cccc(N(=O)=O)c1[O] 	 InChI=1S/C9H10NO3/c1-6(2)7-4-3-5-8(9(7)11)10(12)13/h3-6H,1-2H3 	 180.1806 
 NT123L1OOH 	 OOc1c(C)c(C)c(C)cc1N(=O)=O 	 InChI=1S/C9H11NO4/c1-5-4-8(10(11)12)9(14-13)7(3)6(5)2/h4,13H,1-3H3 	 197.1879 
 MXYLOH 	 OCc1cccc(C)c1 	 InChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3 	 122.1644 
 MXYLOL 	 Cc1ccc(O)c(C)c1 	 InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3 	 122.1644 
 CHCLOO 	 [O-][O+]=CCl 	 InChI=1S/CHClO2/c2-1-4-3/h1H 	 80.4704 
 TM123BPRO 	 [O]C1C=CC2(C)OOC1(C)C2(C)O 	 InChI=1S/C9H13O4/c1-7-5-4-6(10)8(2,13-12-7)9(7,3)11/h4-6,11H,1-3H3 	 185.1971 
 CH2CL3OH 	 ClCC(O)(Cl)Cl 	 InChI=1S/C2H3Cl3O/c3-1-2(4,5)6/h6H,1H2 	 149.4036 
 C830CO2H 	 O=CCC1C(CC1(C)C)C(=O)O 	 InChI=1S/C9H14O3/c1-9(2)5-6(8(11)12)7(9)3-4-10/h4,6-7H,3,5H2,1-2H3,(H,11,12) 	 170.2057 
 HO3C6O2 	 [O]OCCCC(O)CC 	 InChI=1S/C6H13O3/c1-2-6(7)4-3-5-9-8/h6-7H,2-5H2,1H3 	 133.1656 
 IPBZMUCOOH 	 O=CC1OC1C(O)C(OO)C(=O)C(C)C 	 InChI=1S/C9H14O6/c1-4(2)6(11)9(15-13)7(12)8-5(3-10)14-8/h3-5,7-9,12-13H,1-2H3 	 218.2039 
 C58NO3CO3H 	 OOC(=O)C(O)C(C)(CO)ON(=O)=O 	 InChI=1S/C5H9NO8/c1-5(2-7,14-6(10)11)3(8)4(9)13-12/h3,7-8,12H,2H2,1H3 	 211.1269 
 NC524OH 	 OCC(ON(=O)=O)C(O)(CO)CO 	 InChI=1S/C5H11NO7/c7-1-4(13-6(11)12)5(10,2-8)3-9/h4,7-10H,1-3H2 	 197.1433 
 C5COOHCO3H 	 OC(C=O)C(=O)C=CC(=O)OO 	 InChI=1S/C6H6O6/c7-3-5(9)4(8)1-2-6(10)12-11/h1-3,5,9,11H 	 174.1082 
 C128OOH 	 OCCC(=C)C(=O)CC(C)(C)C(OO)CC=O 	 InChI=1S/C12H20O5/c1-9(4-6-13)10(15)8-12(2,3)11(17-16)5-7-14/h7,11,13,16H,1,4-6,8H2,2-3H3 	 244.2842 
 C1013OOH 	 COC(=O)CCC1C(OO)CC1(C)C 	 InChI=1S/C10H18O4/c1-10(2)6-8(14-12)7(10)4-5-9(11)13-3/h7-8,12H,4-6H2,1-3H3 	 202.2475 
 CH3OH 	 CO 	 InChI=1S/CH4O/c1-2/h2H,1H3 	 32.0419 
 IPECOOH 	 CCC(C)(C)OO 	 InChI=1S/C5H12O2/c1-4-5(2,3)7-6/h6H,4H2,1-3H3 	 104.1476 
 C1014NO3 	 O=CCC(C)(C)C(CCC(=O)OC)O[N+](=O)[O-] 	 InChI=1S/C10H17NO6/c1-10(2,6-7-12)8(17-11(14)15)4-5-9(13)16-3/h7-8H,4-6H2,1-3H3 	 247.2451 
 DEMPHOLO2 	 CCC12OOC(CC)(C=C(C)C2(O)O[O])C1O 	 InChI=1S/C11H17O6/c1-4-9-6-7(3)11(13,15-14)10(5-2,8(9)12)17-16-9/h6,8,12-13H,4-5H2,1-3H3 	 245.2491 
 C722OOH 	 O=CCC(C(=O)O)C(C)(C)OO 	 InChI=1S/C7H12O5/c1-7(2,12-11)5(3-4-8)6(9)10/h4-5,11H,3H2,1-2H3,(H,9,10) 	 176.1672 
 INB1NAPAN 	 OCC(C)(ON(=O)=O)C(ON(=O)=O)C(=O)OON(=O)=O 	 InChI=1S/C5H7N3O12/c1-5(2-9,19-7(13)14)3(17-6(11)12)4(10)18-20-8(15)16/h3,9H,2H2,1H3 	 301.1220 
 C77O 	 CC(=O)CC([O])C(C)(C)O 	 InChI=1S/C7H13O3/c1-5(8)4-6(9)7(2,3)10/h6,10H,4H2,1-3H3 	 145.1763 
 MIBKBOH 	 CC(C)C(O)C(=O)C 	 InChI=1S/C6H12O2/c1-4(2)6(8)5(3)7/h4,6,8H,1-3H3 	 116.1583 
 HOIBUTCO3H 	 OCC(C)CC(=O)OO 	 InChI=1S/C5H10O4/c1-4(3-6)2-5(7)9-8/h4,6,8H,2-3H2,1H3 	 134.1305 
 MIBKBO2 	 [O]OC(C(C)C)C(=O)C 	 InChI=1S/C6H11O3/c1-4(2)6(9-8)5(3)7/h4,6H,1-3H3 	 131.1497 
 TMB2FUO2 	 [O]OC1(C)C(=O)OC(C)C1(C)O 	 InChI=1S/C7H11O5/c1-4-6(2,9)7(3,12-10)5(8)11-4/h4,9H,1-3H3 	 175.1592 
 C413COOOH 	 OOCC(=O)CC=O 	 InChI=1S/C4H6O4/c5-2-1-4(6)3-8-7/h2,7H,1,3H2 	 118.0880 
 MCATEC1O2 	 [O]Oc1c(C)cccc1O 	 InChI=1S/C7H7O3/c1-5-3-2-4-6(8)7(5)10-9/h2-4,8H,1H3 	 139.1287 
 DEMPHOLOH 	 CCC12OOC(CC)(C2O)C(O)(O)C(=C1)C 	 InChI=1S/C11H18O5/c1-4-9-6-7(3)11(13,14)10(5-2,8(9)12)16-15-9/h6,8,12-14H,4-5H2,1-3H3 	 230.2576 
 NC10H22 	 CCCCCCCCCC 	 InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3 	 142.2817 
 CH3O2 	 CO[O] 	 InChI=1S/CH3O2/c1-3-2/h1H3 	 47.0333 
 CLCOCLMEO 	 ClC(=O)C(C)([O])Cl 	 InChI=1S/C3H3Cl2O2/c1-3(5,7)2(4)6/h1H3 	 141.9607 
 HIEB2O 	 O=CC([O])C(O)(CO)CO 	 InChI=1S/C5H9O5/c6-1-4(9)5(10,2-7)3-8/h1,4,7-8,10H,2-3H2 	 149.1220 
 NBZFUO 	 O=N(=O)OC1COC(=O)C1[O] 	 InChI=1S/C4H4NO6/c6-3-2(11-5(8)9)1-10-4(3)7/h2-3H,1H2 	 162.0777 
 C1012OOH 	 O=CCC(C)(C)C(OO)CCC(=O)C 	 InChI=1S/C10H18O4/c1-8(12)4-5-9(14-13)10(2,3)6-7-11/h7,9,13H,4-6H2,1-3H3 	 202.2475 
 C712NO3 	 CC(=O)CC(C)(ON(=O)=O)C(C)O 	 InChI=1S/C7H13NO5/c1-5(9)4-7(3,6(2)10)13-8(11)12/h6,10H,4H2,1-3H3 	 191.1818 
 MIBKAOHNO3 	 O=N(=O)OCC(C)(O)CC(=O)C 	 InChI=1S/C6H11NO5/c1-5(8)3-6(2,9)4-12-7(10)11/h9H,3-4H2,1-2H3 	 177.1552 
 NBZQOOH 	 OOC1C(=O)C=CC(=O)C1ON(=O)=O 	 InChI=1S/C6H5NO7/c8-3-1-2-4(9)6(14-12)5(3)13-7(10)11/h1-2,5-6,12H 	 203.1064 
 DMCNO3 	 COC(=O)OCON(=O)=O 	 InChI=1S/C3H5NO6/c1-8-3(5)9-2-10-4(6)7/h2H2,1H3 	 151.0749 
 M3HEXAO 	 CCC(C)CC(C)[O] 	 InChI=1S/C7H15O/c1-4-6(2)5-7(3)8/h6-7H,4-5H2,1-3H3 	 115.1934 
 C718CO3H 	 OOC(=O)CCC(=O)C(C)(C)C=O 	 InChI=1S/C8H12O5/c1-8(2,5-9)6(10)3-4-7(11)13-12/h5,12H,3-4H2,1-2H3 	 188.1779 
 MEKANO3 	 CC(=O)CCON(=O)=O 	 InChI=1S/C4H7NO4/c1-4(6)2-3-9-5(7)8/h2-3H2,1H3 	 133.1027 
 NMVK 	 C=CC(=O)CON(=O)=O 	 InChI=1S/C4H5NO4/c1-2-4(6)3-9-5(7)8/h2H,1,3H2 	 131.0868 
 EPXM2DLPAN 	 O=CC1(C)OC1(C)C(=O)OON(=O)=O 	 InChI=1S/C6H7NO7/c1-5(3-8)6(2,13-5)4(9)12-14-7(10)11/h3H,1-2H3 	 205.1223 
 C729CO2H 	 O=CCC(CC(=O)O)C(=C)C 	 InChI=1S/C8H12O3/c1-6(2)7(3-4-9)5-8(10)11/h4,7H,1,3,5H2,2H3,(H,10,11) 	 156.1791 
 HEX3ONDO 	 CCCC(=O)CC[O] 	 InChI=1S/C6H11O2/c1-2-3-6(8)4-5-7/h2-5H2,1H3 	 115.1503 
 MEKBO 	 CC(=O)C(C)[O] 	 InChI=1S/C4H7O2/c1-3(5)4(2)6/h3H,1-2H3 	 87.0972 
 CH3SOOOH 	 CS(=O)OO 	 InChI=1S/CH4O3S/c1-5(3)4-2/h2H,1H3 	 96.1057 
 BCALO 	 O=CCCC([O])(CO)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C15H25O4/c1-11(18)5-6-12-13(9-14(12,2)3)15(19,10-17)7-4-8-16/h8,12-13,17H,4-7,9-10H2,1-3H3 	 269.3566 
 BCAO 	 C=C1CCC(O)C(C)([O])CCC2C1CC2(C)C 	 InChI=1S/C15H25O2/c1-10-5-6-13(16)15(4,17)8-7-12-11(10)9-14(12,2)3/h11-13,16H,1,5-9H2,2-4H3 	 237.3578 
 ETOMECO3H 	 CCOCC(=O)OO 	 InChI=1S/C4H8O4/c1-2-7-3-4(5)8-6/h6H,2-3H2,1H3 	 120.1039 
 C8M2CO6OOH 	 OOC(C(=O)C)C(=CC(=O)CC)C 	 InChI=1S/C9H14O4/c1-4-8(11)5-6(2)9(13-12)7(3)10/h5,9,12H,4H2,1-3H3 	 186.2051 
 NPBNZ1O2 	 CCCc1cccc(N(=O)=O)c1O[O] 	 InChI=1S/C9H10NO4/c1-2-4-7-5-3-6-8(10(11)12)9(7)14-13/h3,5-6H,2,4H2,1H3 	 196.1800 
 C729O2 	 [O]OCC(CC=O)C(=C)C 	 InChI=1S/C7H11O3/c1-6(2)7(3-4-8)5-10-9/h4,7H,1,3,5H2,2H3 	 143.1604 
 NPBNZ1OOH 	 CCCc1cccc(N(=O)=O)c1OO 	 InChI=1S/C9H11NO4/c1-2-4-7-5-3-6-8(10(11)12)9(7)14-13/h3,5-6,13H,2,4H2,1H3 	 197.1879 
 EPXMEC4DAL 	 CCC1(C=O)OC1(C)C=O 	 InChI=1S/C7H10O3/c1-3-7(5-9)6(2,4-8)10-7/h4-5H,3H2,1-2H3 	 142.1525 
 CL12PRCO 	 [O]C(Cl)C(C)Cl 	 InChI=1S/C3H5Cl2O/c1-2(4)3(5)6/h2-3H,1H3 	 127.9772 
 C715CO2O2 	 [O]OC(C=O)C=CC(=O)CC 	 InChI=1S/C7H9O4/c1-2-6(9)3-4-7(5-8)11-10/h3-5,7H,2H2,1H3 	 157.1440 
 PXCATEC1O2 	 [O]Oc1c(C)ccc(C)c1O 	 InChI=1S/C8H9O3/c1-5-3-4-6(2)8(11-10)7(5)9/h3-4,9H,1-2H3 	 153.1553 
 M3PECO2 	 CCC(C)(CC)O[O] 	 InChI=1S/C6H13O2/c1-4-6(3,5-2)8-7/h4-5H2,1-3H3 	 117.1662 
 C148CO 	 O=CCC(=O)C(=O)C1CC(C)(C)C1CCC(=O)OC 	 InChI=1S/C14H20O5/c1-14(2)8-9(13(18)11(16)6-7-15)10(14)4-5-12(17)19-3/h7,9-10H,4-6,8H2,1-3H3 	 268.1310 
 HO5C6O 	 CCCCC(O)C[O] 	 InChI=1S/C6H13O2/c1-2-3-4-6(8)5-7/h6,8H,2-5H2,1H3 	 117.1662 
 C623OH 	 OCC(C=O)C(C)(O)CO 	 InChI=1S/C6H12O4/c1-6(10,4-9)5(2-7)3-8/h2,5,8-10H,3-4H2,1H3 	 148.1571 
 EPXMKTCO3 	 CC1(OC1C(=O)C)C(=O)O[O] 	 InChI=1S/C6H7O5/c1-3(7)4-6(2,10-4)5(8)11-9/h4H,1-2H3 	 159.1168 
 IPRBQCO 	 O=C1C=C(C(C)C)C(=O)C(O)C1=O 	 InChI=1S/C9H10O4/c1-4(2)5-3-6(10)8(12)9(13)7(5)11/h3-4,9,13H,1-2H3 	 182.1733 
 PRPAL2CO2H 	 O=CC(C)C(=O)O 	 InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7) 	 102.0886 
 HNMVKOOH 	 OCC(OO)C(=O)CON(=O)=O 	 InChI=1S/C4H7NO7/c6-1-4(12-10)3(7)2-11-5(8)9/h4,6,10H,1-2H2 	 181.1009 
 BCALNO3 	 O=CCCC(CO)(O[N+](=O)[O-])C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C15H25NO6/c1-11(19)5-6-12-13(9-14(12,2)3)15(10-18,7-4-8-17)22-16(20)21/h8,12-13,18H,4-7,9-10H2,1-3H3 	 315.3621 
 C41OOH 	 OCC(OO)C(O)C=O 	 InChI=1S/C4H8O5/c5-1-3(7)4(2-6)9-8/h1,3-4,6-8H,2H2 	 136.1033 
 MACRNO3 	 OCC(C)(C=O)ON(=O)=O 	 InChI=1S/C4H7NO5/c1-4(2-6,3-7)10-5(8)9/h2,7H,3H2,1H3 	 149.1021 
 C623O2 	 OCC(C=O)C(C)(CO)O[O] 	 InChI=1S/C6H11O5/c1-6(4-9,11-10)5(2-7)3-8/h2,5,8-9H,3-4H2,1H3 	 163.1485 
 C133NO3 	 OCCC(=O)C(=O)CC(C)(C)C(CCC(=O)C)O[N+](=O)[O-] 	 InChI=1S/C13H21NO7/c1-9(16)4-5-12(21-14(19)20)13(2,3)8-11(18)10(17)6-7-15/h12,15H,4-8H2,1-3H3 	 303.3083 
 HM22C3CO3 	 [O]OC(=O)CC(C)(C)CO 	 InChI=1S/C6H11O4/c1-6(2,4-7)3-5(8)10-9/h7H,3-4H2,1-2H3 	 147.1491 
 PRNO3CO3 	 [O]OC(=O)C(C)ON(=O)=O 	 InChI=1S/C3H4NO6/c1-2(3(5)10-8)9-4(6)7/h2H,1H3 	 150.0670 
 MNCATECO2 	 [O]OC1(O)C(=C(N(=O)=O)C2OOC1(C)C2O)O 	 InChI=1S/C7H8NO9/c1-6-5(10)3(15-17-6)2(8(12)13)4(9)7(6,11)16-14/h3,5,9-11H,1H3 	 250.1397 
 M3PECOH 	 CCC(C)(O)CC 	 InChI=1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3 	 102.1748 
 C715CO2OH 	 O=CC(O)C=CC(=O)CC 	 InChI=1S/C7H10O3/c1-2-6(9)3-4-7(10)5-8/h3-5,7,10H,2H2,1H3 	 142.1525 
 PXCATEC1O 	 Cc1ccc(C)c([O])c1O 	 InChI=1S/C8H9O2/c1-5-3-4-6(2)8(10)7(5)9/h3-4,9H,1-2H3 	 137.1559 
 C6CO134OOH 	 OOC(=O)CC(=O)C(=O)CC 	 InChI=1S/C6H8O5/c1-2-4(7)5(8)3-6(9)11-10/h10H,2-3H2,1H3 	 160.1247 
 NBUTOLBO2 	 OCCC(C)O[O] 	 InChI=1S/C4H9O3/c1-4(7-6)2-3-5/h4-5H,2-3H2,1H3 	 105.1125 
 HO3C116O2 	 CCCCCC(O[O])CCC(O)CC 	 InChI=1S/C11H23O3/c1-3-5-6-7-11(14-13)9-8-10(12)4-2/h10-12H,3-9H2,1-2H3 	 203.2985 
 C3ME3CO3H 	 OOC(=O)CC(C)C 	 InChI=1S/C5H10O3/c1-4(2)3-5(6)8-7/h4,7H,3H2,1-2H3 	 118.1311 
 C6DIALO2 	 O=CCCC(O[O])CC=O 	 InChI=1S/C6H9O4/c7-4-1-2-6(10-9)3-5-8/h4-6H,1-3H2 	 145.1333 
 C1215NO3 	 O=CCCC(=O)C(=O)CC(C)(C)C(CCO)O[N+](=O)[O-] 	 InChI=1S/C12H19NO7/c1-12(2,11(5-7-15)20-13(18)19)8-10(17)9(16)4-3-6-14/h6,11,15H,3-5,7-8H2,1-2H3 	 289.2818 
 HM2C43OOH 	 OCC(C)C(C)OO 	 InChI=1S/C5H12O3/c1-4(3-6)5(2)8-7/h4-7H,3H2,1-2H3 	 120.1470 
 NOPINONE 	 O=C1CCC2CC1C2(C)C 	 InChI=1S/C9H14O/c1-9(2)6-3-4-8(10)7(9)5-6/h6-7H,3-5H2,1-2H3 	 138.2069 
 T124NCATEC 	 O=N(=O)c1c(C)c(C)c(O)c(O)c1C 	 InChI=1S/C9H11NO4/c1-4-5(2)8(11)9(12)6(3)7(4)10(13)14/h11-12H,1-3H3 	 197.1879 
 INAHPAN 	 O=N(=O)OCC(O)C(C)(O)C(=O)OON(=O)=O 	 InChI=1S/C5H8N2O10/c1-5(10,3(8)2-15-6(11)12)4(9)16-17-7(13)14/h3,8,10H,2H2,1H3 	 256.1244 
 C65NO3PAN 	 CCCCC(ON(=O)=O)C(=O)OON(=O)=O 	 InChI=1S/C6H10N2O8/c1-2-3-4-5(14-7(10)11)6(9)15-16-8(12)13/h5H,2-4H2,1H3 	 238.1522 
 NC4CO2H 	 O=N(=O)OCC(=CC(=O)O)C 	 InChI=1S/C5H7NO5/c1-4(2-5(7)8)3-11-6(9)10/h2H,3H2,1H3,(H,7,8) 	 161.1128 
 ETHFORMO2 	 CC(OC=O)O[O] 	 InChI=1S/C3H5O4/c1-3(7-5)6-2-4/h2-3H,1H3 	 105.0694 
 C83O2 	 CCC(=O)C(=O)C(O[O])C(=O)CC 	 InChI=1S/C8H11O5/c1-3-5(9)7(11)8(13-12)6(10)4-2/h8H,3-4H2,1-2H3 	 187.1699 
 C6COCHOOOH 	 OOCCCC(=O)CC=O 	 InChI=1S/C6H10O4/c7-4-3-6(8)2-1-5-10-9/h4,9H,1-3,5H2 	 146.1412 
 C513OH 	 OC(C=O)C(=O)CCO 	 InChI=1S/C5H8O4/c6-2-1-4(8)5(9)3-7/h3,5-6,9H,1-2H2 	 132.1146 
 ETHFORMOH 	 CC(O)OC=O 	 InChI=1S/C3H6O3/c1-3(5)6-2-4/h2-3,5H,1H3 	 90.0779 
 C513O2 	 OCCC(=O)C(O[O])C=O 	 InChI=1S/C5H7O5/c6-2-1-4(8)5(3-7)10-9/h3,5-6H,1-2H2 	 147.1061 
 TBUACPAN 	 O=N(=O)OOC(=O)C(C)(C)OC(=O)C 	 InChI=1S/C6H9NO7/c1-4(8)12-6(2,3)5(9)13-14-7(10)11/h1-3H3 	 207.1382 
 C7236CO 	 CC(=O)C=CC(=O)C(=O)C 	 InChI=1S/C7H8O3/c1-5(8)3-4-7(10)6(2)9/h3-4H,1-2H3 	 140.1366 
 PXYEPOXMUC 	 O=CC1OC1(C)C=CC(=O)C 	 InChI=1S/C8H10O3/c1-6(10)3-4-8(2)7(5-9)11-8/h3-5,7H,1-2H3 	 154.1632 
 C6DIALOH 	 O=CCCC(O)CC=O 	 InChI=1S/C6H10O3/c7-4-1-2-6(9)3-5-8/h4-6,9H,1-3H2 	 130.1418 
 C630CO 	 OCCC(=C)C(=O)C=O 	 InChI=1S/C6H8O3/c1-5(2-3-7)6(9)4-8/h4,7H,1-3H2 	 128.1259 
 INDO 	 OCC(ON(=O)=O)C(C)([O])CO 	 InChI=1S/C5H10NO6/c1-5(9,3-8)4(2-7)12-6(10)11/h4,7-8H,2-3H2,1H3 	 180.1360 
 TM123MUOOH 	 OOC(C(O)C(=O)C)C1OC1(C)C(=O)C 	 InChI=1S/C9H14O6/c1-4(10)6(12)7(15-13)8-9(3,14-8)5(2)11/h6-8,12-13H,1-3H3 	 218.2039 
 DMEPHOLO2 	 CCC12OOC(C)(C=C(C)C2(O)O[O])C1O 	 InChI=1S/C10H15O6/c1-4-9-7(11)8(3,15-16-9)5-6(2)10(9,12)14-13/h5,7,11-12H,4H2,1-3H3 	 231.2225 
 VINOH 	 OC=C 	 InChI=1S/C2H4O/c1-2-3/h2-3H,1H2 	 44.0526 
 C5DBCO2PAN 	 O=CC(=O)C(=CC(=O)OON(=O)=O)C 	 InChI=1S/C6H5NO7/c1-4(5(9)3-8)2-6(10)13-14-7(11)12/h2-3H,1H3 	 203.1064 
 ETHOX 	 O1CC1 	 InChI=1S/C2H4O/c1-2-3-1/h1-2H2 	 44.0526 
 ACCOCOETO 	 CC(=O)OC(=O)C(=O)C(C)[O] 	 InChI=1S/C6H7O5/c1-3(7)5(9)6(10)11-4(2)8/h3H,1-2H3 	 159.1168 
 MIPKBO 	 CC(C[O])C(=O)C 	 InChI=1S/C5H9O2/c1-4(3-6)5(2)7/h4H,3H2,1-2H3 	 101.1238 
 LMLKBCO 	 O=CCC(CCC(=O)C=O)C(=O)C 	 InChI=1S/C9H12O4/c1-7(12)8(4-5-10)2-3-9(13)6-11/h5-6,8H,2-4H2,1H3 	 184.1892 
 C7CO2M5OH 	 CC(=O)C=CC(C)(O)C(=O)C 	 InChI=1S/C8H12O3/c1-6(9)4-5-8(3,11)7(2)10/h4-5,11H,1-3H3 	 156.1791 
 TBUACCO3H 	 OOC(=O)C(C)(C)OC(=O)C 	 InChI=1S/C6H10O5/c1-4(7)10-6(2,3)5(8)11-9/h9H,1-3H3 	 162.1406 
 MMCFO2 	 [O]OCOC(=O)OC=O 	 InChI=1S/C3H3O6/c4-1-7-3(5)8-2-9-6/h1H,2H2 	 135.0523 
 OTCATEC1O2 	 CCc1c(C)ccc(O)c1O[O] 	 InChI=1S/C9H11O3/c1-3-7-6(2)4-5-8(10)9(7)12-11/h4-5,10H,3H2,1-2H3 	 167.1818 
 COO2C4O2 	 [O]OCCC(=O)OC 	 InChI=1S/C4H7O4/c1-7-4(5)2-3-8-6/h2-3H2,1H3 	 119.0960 
 BCCO2 	 OCC1(O[O])CC\C=C(\C)/CCC2C1CC2(C)C 	 InChI=1S/C15H25O3/c1-11-5-4-8-15(10-16,18-17)13-9-14(2,3)12(13)7-6-11/h5,12-13,16H,4,6-10H2,1-3H3/b11-5- 	 253.3572 
 C4OCCOHNO3 	 O=CC(O)C(C)ON(=O)=O 	 InChI=1S/C4H7NO5/c1-3(4(7)2-6)10-5(8)9/h2-4,7H,1H3 	 149.1021 
 BCCOH 	 OCC1(O)CC\C=C(\C)/CCC2C1CC2(C)C 	 InChI=1S/C15H26O2/c1-11-5-4-8-15(17,10-16)13-9-14(2,3)12(13)7-6-11/h5,12-13,16-17H,4,6-10H2,1-3H3/b11-5- 	 238.3657 
 MMCFOH 	 OCOC(=O)OC=O 	 InChI=1S/C3H4O5/c4-1-7-3(6)8-2-5/h1,5H,2H2 	 120.0609 
 TM135BPRO 	 CC1=CC2(C)OOC(C)(C1[O])C2O 	 InChI=1S/C9H13O4/c1-5-4-8(2)7(11)9(3,6(5)10)13-12-8/h4,6-7,11H,1-3H3 	 185.1971 
 C4ME3HO23 	 CC(O)C(C)(C)O 	 InChI=1S/C5H12O2/c1-4(6)5(2,3)7/h4,6-7H,1-3H3 	 104.1476 
 HOIPRCHO 	 CC(CO)C=O 	 InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3 	 88.1051 
 PROL11MNO3 	 CCC(C)(O)CON(=O)=O 	 InChI=1S/C5H11NO4/c1-3-5(2,7)4-10-6(8)9/h7H,3-4H2,1-2H3 	 149.1451 
 C7CO2M5O2 	 [O]OC(C)(C=CC(=O)C)C(=O)C 	 InChI=1S/C8H11O4/c1-6(9)4-5-8(3,12-11)7(2)10/h4-5H,1-3H3 	 171.1705 
 DMEPHOLOH 	 CCC12OOC(C)(C=C(C)C2(O)O)C1O 	 InChI=1S/C10H16O5/c1-4-9-7(11)8(3,14-15-9)5-6(2)10(9,12)13/h5,7,11-13H,4H2,1-3H3 	 216.2310 
 BOXPRONAO2 	 CCCC(O[O])OCC(=O)C 	 InChI=1S/C7H13O4/c1-3-4-7(11-9)10-5-6(2)8/h7H,3-5H2,1-2H3 	 161.1757 
 CO23C65OOH 	 CC(CC(=O)C(=O)C)OO 	 InChI=1S/C6H10O4/c1-4(10-9)3-6(8)5(2)7/h4,9H,3H2,1-2H3 	 146.1412 
 NC4OOA 	 OCC(ON(=O)=O)C(=[O+][O-])C 	 InChI=1S/C4H7NO6/c1-3(11-9)4(2-6)10-5(7)8/h4,6H,2H2,1H3 	 165.1015 
 NBZFUOOH 	 OOC1C(=O)OCC1ON(=O)=O 	 InChI=1S/C4H5NO7/c6-4-3(12-9)2(1-10-4)11-5(7)8/h2-3,9H,1H2 	 179.0850 
 C141OOH 	 OOCCC(=C)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H24O3/c1-10(7-8-17-16)12-9-14(3,4)13(12)6-5-11(2)15/h12-13,16H,1,5-9H2,2-4H3 	 240.3386 
 C69O 	 [O]CC(=O)C(C)C(C)O 	 InChI=1S/C6H11O3/c1-4(5(2)8)6(9)3-7/h4-5,8H,3H2,1-2H3 	 131.1497 
 C141OOA 	 [O-][O+]=C(CCC(=O)O)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H22O5/c1-9(15)4-5-11-10(8-14(11,2)3)12(19-18)6-7-13(16)17/h10-11H,4-8H2,1-3H3,(H,16,17) 	 270.3215 
 HO2CO3C4O 	 [O]CC(=O)C(C)O 	 InChI=1S/C4H7O3/c1-3(6)4(7)2-5/h3,6H,2H2,1H3 	 103.0966 
 CO2M33CO2H 	 CC(=O)C(C)(C)C(=O)O 	 InChI=1S/C6H10O3/c1-4(7)6(2,3)5(8)9/h1-3H3,(H,8,9) 	 130.1418 
 C109OOH 	 OOCC(=O)C1CC(CC=O)C1(C)C 	 InChI=1S/C10H16O4/c1-10(2)7(3-4-11)5-8(10)9(12)6-14-13/h4,7-8,13H,3,5-6H2,1-2H3 	 200.2316 
 DICLETO 	 ClCC([O])Cl 	 InChI=1S/C2H3Cl2O/c3-1-2(4)5/h2H,1H2 	 113.9506 
 C4M3NO31O 	 O=N(=O)OCC([O])C(C)C 	 InChI=1S/C5H10NO4/c1-4(2)5(7)3-10-6(8)9/h4-5H,3H2,1-2H3 	 148.1372 
 M2HEXBNO3 	 CCCCC(C)(C)ON(=O)=O 	 InChI=1S/C7H15NO3/c1-4-5-6-7(2,3)11-8(9)10/h4-6H2,1-3H3 	 161.1989 
 C63NO32O 	 CCCC(ON(=O)=O)C(C)[O] 	 InChI=1S/C6H12NO4/c1-3-4-6(5(2)8)11-7(9)10/h5-6H,3-4H2,1-2H3 	 162.1638 
 C7OHO2CO3H 	 CCC(=CC(=O)OO)C(=O)C(O)C=O 	 InChI=1S/C8H10O6/c1-2-5(3-7(11)14-13)8(12)6(10)4-9/h3-4,6,10,13H,2H2,1H3 	 202.1614 
 BCALAO2 	 O=CCCC(=C)C1CC(C)(C)C1CC(O[O])C(=O)C 	 InChI=1S/C15H23O4/c1-10(6-5-7-16)12-9-15(3,4)13(12)8-14(19-18)11(2)17/h7,12-14H,1,5-6,8-9H2,2-4H3 	 267.3407 
 CH3SO4NO2 	 [O-][N+](=O)OOS(=O)(=O)C 	 InChI=1S/CH3NO6S/c1-9(5,6)8-7-2(3)4/h1H3 	 157.1026 
 BCALAOH 	 O=CCCC(=C)C1CC(C)(C)C1CC(O)C(=O)C 	 InChI=1S/C15H24O3/c1-10(6-5-7-16)12-9-15(3,4)13(12)8-14(18)11(2)17/h7,12-14,18H,1,5-6,8-9H2,2-4H3 	 252.3493 
 NC4PDCO2H 	 CCCC(=C(C=O)N(=O)=O)C(=O)O 	 InChI=1S/C7H9NO5/c1-2-3-5(7(10)11)6(4-9)8(12)13/h4H,2-3H2,1H3,(H,10,11) 	 187.1501 
 C146OOH 	 O=CCC(OO)C(=O)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H22O5/c1-9(16)4-5-11-10(8-14(11,2)3)13(17)12(19-18)6-7-15/h7,10-12,18H,4-6,8H2,1-3H3 	 270.3215 
 PE1ENEBO 	 CCCC(O)C[O] 	 InChI=1S/C5H11O2/c1-2-3-5(7)4-6/h5,7H,2-4H2,1H3 	 103.1396 
 DNT123LO 	 O=N(=O)C1=C(C)C2(C)OOC(N(=O)=O)(C1([O])O)C2(C)O 	 InChI=1S/C9H11N2O9/c1-4-5(10(15)16)8(13,14)9(11(17)18)7(3,12)6(4,2)19-20-9/h12-13H,1-3H3 	 291.1916 
 NC3H7NO3 	 CCCON(=O)=O 	 InChI=1S/C3H7NO3/c1-2-3-7-4(5)6/h2-3H2,1H3 	 105.0926 
 BPINCO 	 OCC1=CCC(CC1)C(C)(C)[O] 	 InChI=1S/C10H17O2/c1-10(2,12)9-5-3-8(7-11)4-6-9/h3,9,11H,4-7H2,1-2H3 	 169.2408 
 C4M2NO3ONE 	 O=N(=O)OC(C)(C)C(=O)C 	 InChI=1S/C5H9NO4/c1-4(7)5(2,3)10-6(8)9/h1-3H3 	 147.1293 
 ME3CO2BUOL 	 OCC(=O)C(C)C 	 InChI=1S/C5H10O2/c1-4(2)5(7)3-6/h4,6H,3H2,1-2H3 	 102.1317 
 MXYL1O2 	 [O]Oc1cccc(C)c1 	 InChI=1S/C7H7O2/c1-6-3-2-4-7(5-6)9-8/h2-5H,1H3 	 123.1293 
 CL2OHOOH 	 OOCC(O)(Cl)Cl 	 InChI=1S/C2H4Cl2O3/c3-2(4,5)1-7-6/h5-6H,1H2 	 146.9574 
 C816O2 	 [O]OC(CCC(=O)C)C(=C)C 	 InChI=1S/C8H13O3/c1-6(2)8(11-10)5-4-7(3)9/h8H,1,4-5H2,2-3H3 	 157.1870 
 PTNCATCOOH 	 CCC12OOC(N(=O)=O)(C(=C(O)C2(O)OO)C)C1O 	 InChI=1S/C9H13NO9/c1-3-7-6(12)8(10(14)15,19-18-7)4(2)5(11)9(7,13)17-16/h6,11-13,16H,3H2,1-2H3 	 279.2008 
 C46CO2H 	 OCCC(=C)C(=O)O 	 InChI=1S/C5H8O3/c1-4(2-3-6)5(7)8/h6H,1-3H2,(H,7,8) 	 116.1152 
 C728O 	 O=CCC(CO)C(C)([O])CO 	 InChI=1S/C7H13O4/c1-7(11,5-10)6(4-9)2-3-8/h3,6,9-10H,2,4-5H2,1H3 	 161.1757 
 C139OOH 	 OCCC(=C)C1(OO)CC(C)(C)C1CCC(=O)O 	 InChI=1S/C13H22O5/c1-9(6-7-14)13(18-17)8-12(2,3)10(13)4-5-11(15)16/h10,14,17H,1,4-8H2,2-3H3,(H,15,16) 	 258.3108 
 C8DCO2CO3H 	 O=CC(=O)C=C(C(C)C)C(=O)OO 	 InChI=1S/C8H10O5/c1-5(2)7(8(11)13-12)3-6(10)4-9/h3-5,12H,1-2H3 	 186.1620 
 MXYLOOH 	 OOCc1cccc(C)c1 	 InChI=1S/C8H10O2/c1-7-3-2-4-8(5-7)6-10-9/h2-5,9H,6H2,1H3 	 138.1638 
 C819O2 	 OCC(C)(O[O])C(=O)CCC(=O)C 	 InChI=1S/C8H13O5/c1-6(10)3-4-7(11)8(2,5-9)13-12/h9H,3-5H2,1-2H3 	 189.1858 
 C732CO 	 O=CC(CCC(=O)O)C(=O)C 	 InChI=1S/C7H10O4/c1-5(9)6(4-8)2-3-7(10)11/h4,6H,2-3H2,1H3,(H,10,11) 	 158.1519 
 C519PAN 	 [O-][N+](=O)OOC(=O)C(CCO)C(=O)C 	 InChI=1S/C6H9NO7/c1-4(9)5(2-3-8)6(10)13-14-7(11)12/h5,8H,2-3H2,1H3 	 207.1382 
 CHOOCH2OOH 	 OOCOC=O 	 InChI=1S/C2H4O4/c3-1-5-2-6-4/h1,4H,2H2 	 92.0508 
 H2M3CO4CHO 	 CC(C(C)O)C(=O)C=O 	 InChI=1S/C6H10O3/c1-4(5(2)8)6(9)3-7/h3-5,8H,1-2H3 	 130.1418 
 ACRPAN 	 C=CC(=O)OON(=O)=O 	 InChI=1S/C3H3NO5/c1-2-3(5)8-9-4(6)7/h2H,1H2 	 133.0596 
 C52O 	 [O]CCC(C)CO 	 InChI=1S/C5H11O2/c1-5(4-7)2-3-6/h5,7H,2-4H2,1H3 	 103.1396 
 PXYMUCPAN 	 O=N(=O)OOC(=O)C1OC1(C)C=CC(=O)C 	 InChI=1S/C8H9NO7/c1-5(10)3-4-8(2)6(14-8)7(11)15-16-9(12)13/h3-4,6H,1-2H3 	 231.1596 
 C626CO3 	 O=CCC(CC(=O)O[O])C(=O)C 	 InChI=1S/C7H9O5/c1-5(9)6(2-3-8)4-7(10)12-11/h3,6H,2,4H2,1H3 	 173.1434 
 TM124BPOOH 	 OOC1(C)C=CC2(C)OOC1(C)C2O 	 InChI=1S/C9H14O5/c1-7-4-5-8(2,12-11)9(3,6(7)10)14-13-7/h4-6,10-11H,1-3H3 	 202.2045 
 EPXMDLCO3H 	 CC1(OC1C(=O)OO)C=O 	 InChI=1S/C5H6O5/c1-5(2-6)3(9-5)4(7)10-8/h2-3,8H,1H3 	 146.0981 
 C3M3CHOOOH 	 O=CCC(C)(C)OO 	 InChI=1S/C5H10O3/c1-5(2,8-7)3-4-6/h4,7H,3H2,1-2H3 	 118.1311 
 C43NO3CO3 	 [O]OC(=O)C(C)(CC)ON(=O)=O 	 InChI=1S/C5H8NO6/c1-3-5(2,4(7)11-10)12-6(8)9/h3H2,1-2H3 	 178.1201 
 LMKBNO3 	 [O-][N+](=O)OC1CC(CCC1(C)O)C(=O)C 	 InChI=1S/C9H15NO5/c1-6(11)7-3-4-9(2,12)8(5-7)15-10(13)14/h7-8,12H,3-5H2,1-2H3 	 217.2191 
 C142O2 	 OCCC(=C)C1(O[O])CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H23O4/c1-10(7-8-15)14(18-17)9-13(3,4)12(14)6-5-11(2)16/h12,15H,1,5-9H2,2-4H3 	 255.3300 
 DNT123LO2 	 [O]OC1(O)C(=C(C)C2(C)OOC1(N(=O)=O)C2(C)O)N(=O)=O 	 InChI=1S/C9H11N2O10/c1-4-5(10(14)15)8(13,19-18)9(11(16)17)7(3,12)6(4,2)20-21-9/h12-13H,1-3H3 	 307.1910 
 IPROMCCO3 	 [O]OC(=O)C(C)OC(C)C 	 InChI=1S/C6H11O4/c1-4(2)9-5(3)6(7)10-8/h4-5H,1-3H3 	 147.1491 
 C129O2 	 O=CCC(O[O])C(=O)C1CC(C)(C)C1CC=O 	 InChI=1S/C12H17O5/c1-12(2)7-8(9(12)3-5-13)11(15)10(17-16)4-6-14/h5-6,8-10H,3-4,7H2,1-2H3 	 241.2604 
 C6CYTONO2 	 [O]OC1C(=O)CC(=O)CC1=O 	 InChI=1S/C6H5O5/c7-3-1-4(8)6(11-10)5(9)2-3/h6H,1-2H2 	 157.1009 
 BCLKCOH 	 O=CC(O)CC(=O)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H22O4/c1-9(16)4-5-12-11(7-14(12,2)3)13(18)6-10(17)8-15/h8,10-12,17H,4-7H2,1-3H3 	 254.3221 
 CHOC4O2 	 [O]OCCCCC=O 	 InChI=1S/C5H9O3/c6-4-2-1-3-5-8-7/h4H,1-3,5H2 	 117.1232 
 ISOPAO2 	 [O]OCC=C(C)CO 	 InChI=1S/C5H9O3/c1-5(4-6)2-3-8-7/h2,6H,3-4H2,1H3 	 117.1232 
 MPRANO3O 	 O=N(=O)OCC(C)(C)[O] 	 InChI=1S/C4H8NO4/c1-4(2,6)3-9-5(7)8/h3H2,1-2H3 	 134.1106 
 C64OH 	 CC(O)(CC(=O)C)CO 	 InChI=1S/C6H12O3/c1-5(8)3-6(2,9)4-7/h7,9H,3-4H2,1-2H3 	 132.1577 
 TLOBIPEROH 	 O=C1C=CC2(C)OOC1C2O 	 InChI=1S/C7H8O4/c1-7-3-2-4(8)5(6(7)9)10-11-7/h2-3,5-6,9H,1H3 	 156.1360 
 C67CO3H 	 OOC(=O)CC(=O)C(C)(C)O 	 InChI=1S/C6H10O5/c1-6(2,9)4(7)3-5(8)11-10/h9-10H,3H2,1-2H3 	 162.1406 
 C4CO2DBPAN 	 O=CC(=O)C=CC(=O)OON(=O)=O 	 InChI=1S/C5H3NO7/c7-3-4(8)1-2-5(9)12-13-6(10)11/h1-3H 	 189.0798 
 C64O2 	 OCC(C)(O[O])CC(=O)C 	 InChI=1S/C6H11O4/c1-5(8)3-6(2,4-7)10-9/h7H,3-4H2,1-2H3 	 147.1491 
 C56O 	 [O]CC(O)C(C)CO 	 InChI=1S/C5H11O3/c1-4(2-6)5(8)3-7/h4-6,8H,2-3H2,1H3 	 119.1390 
 C928O 	 [O]CC(C)(C)C(=O)CCC(=O)C 	 InChI=1S/C9H15O3/c1-7(11)4-5-8(12)9(2,3)6-10/h4-6H2,1-3H3 	 171.2136 
 TM124QO 	 CC1=C(C)C(=O)C(C)([O])C(O)C1=O 	 InChI=1S/C9H11O4/c1-4-5(2)7(11)9(3,13)8(12)6(4)10/h8,12H,1-3H3 	 183.1812 
 PERPROACID 	 CCC(=O)OO 	 InChI=1S/C3H6O3/c1-2-3(4)6-5/h5H,2H2,1H3 	 90.0779 
 DMEPH1O 	 CCc1cc(C)cc(C)c1[O] 	 InChI=1S/C10H13O/c1-4-9-6-7(2)5-8(3)10(9)11/h5-6H,4H2,1-3H3 	 149.2096 
 C24O3CCO2H 	 OC(=O)CC(=O)OC(=O)C 	 InChI=1S/C5H6O5/c1-3(6)10-5(9)2-4(7)8/h2H2,1H3,(H,7,8) 	 146.0981 
 NEBNZ1O2 	 [O]Oc1c(CC)cccc1N(=O)=O 	 InChI=1S/C8H8NO4/c1-2-6-4-3-5-7(9(10)11)8(6)13-12/h3-5H,2H2,1H3 	 182.1534 
 IPROC21O 	 CC(C)OC(C)[O] 	 InChI=1S/C5H11O2/c1-4(2)7-5(3)6/h4-5H,1-3H3 	 103.1396 
 C83O 	 CCC(=O)C(=O)C([O])C(=O)CC 	 InChI=1S/C8H11O4/c1-3-5(9)7(11)8(12)6(10)4-2/h7H,3-4H2,1-2H3 	 171.1705 
 HEX3ONAOOH 	 CC(CC(=O)CC)OO 	 InChI=1S/C6H12O3/c1-3-6(7)4-5(2)9-8/h5,8H,3-4H2,1-2H3 	 132.1577 
 PXYOLO2 	 [O]OC1(O)C=C(C)C2OOC1(C)C2O 	 InChI=1S/C8H11O6/c1-4-3-8(10,13-11)7(2)6(9)5(4)12-14-7/h3,5-6,9-10H,1-2H3 	 203.1693 
 C136CO2 	 O=CCCC(=C)C1CC(C)(C)C1CCC(=O)[O] 	 InChI=1S/C14H21O3/c1-10(5-4-8-15)11-9-14(2,3)12(11)6-7-13(16)17/h8,11-12H,1,4-7,9H2,2-3H3 	 237.3147 
 C136CO3 	 O=CCCC(=C)C1CC(C)(C)C1CCC(=O)O[O] 	 InChI=1S/C14H21O4/c1-10(5-4-8-15)11-9-14(2,3)12(11)6-7-13(16)18-17/h8,11-12H,1,4-7,9H2,2-3H3 	 253.3141 
 BCLKCO2 	 [O]OC(C=O)CC(=O)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H21O5/c1-9(16)4-5-12-11(7-14(12,2)3)13(17)6-10(8-15)19-18/h8,10-12H,4-7H2,1-3H3 	 269.3135 
 C822O 	 [O]CCC(CC=O)C(=C)C 	 InChI=1S/C8H13O2/c1-7(2)8(3-5-9)4-6-10/h5,8H,1,3-4,6H2,2H3 	 141.1876 
 T123CAT1O 	 Cc1cc(O)c([O])c(C)c1C 	 InChI=1S/C9H11O2/c1-5-4-8(10)9(11)7(3)6(5)2/h4,10H,1-3H3 	 151.1824 
 DIEKBO 	 [O]CCC(=O)CC 	 InChI=1S/C5H9O2/c1-2-5(7)3-4-6/h2-4H2,1H3 	 101.1238 
 C131CO3H 	 OOC(=O)CCC(=O)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H22O5/c1-9(15)4-5-11-10(8-14(11,2)3)12(16)6-7-13(17)19-18/h10-11,18H,4-8H2,1-3H3 	 270.3215 
 IPRACOH 	 CC(=O)OC(C)(C)O 	 InChI=1S/C5H10O3/c1-4(6)8-5(2,3)7/h7H,1-3H3 	 118.1311 
 ACO3H 	 OOC(=O)C=C 	 InChI=1S/C3H4O3/c1-2-3(4)6-5/h2,5H,1H2 	 88.0621 
 C143NO3 	 OCCC(=C)C(=O)CC(C)(C)C(CCC(=O)C)O[N+](=O)[O-] 	 InChI=1S/C14H23NO6/c1-10(7-8-16)12(18)9-14(3,4)13(21-15(19)20)6-5-11(2)17/h13,16H,1,5-9H2,2-4H3 	 301.3355 
 C916OOH 	 O=CCCC(=O)C(C=O)C(C)(C)OO 	 InChI=1S/C9H14O5/c1-9(2,14-13)7(6-11)8(12)4-3-5-10/h5-7,13H,3-4H2,1-2H3 	 202.2045 
 CO4DBC8 	 O=CC(=O)C(=CC(=O)C(=O)C)C 	 InChI=1S/C8H8O4/c1-5(8(12)4-9)3-7(11)6(2)10/h3-4H,1-2H3 	 168.1467 
 CO4DBC9 	 O=CC(=O)C(=C(C)C(=O)C(=O)C)C 	 InChI=1S/C9H10O4/c1-5(8(12)4-10)6(2)9(13)7(3)11/h4H,1-3H3 	 182.1733 
 LMLKAO 	 O=CCC(CC([O])C(=O)C)C(=O)C 	 InChI=1S/C9H13O4/c1-6(11)8(3-4-10)5-9(13)7(2)12/h4,8-9H,3,5H2,1-2H3 	 185.1971 
 C82NO3 	 CCC(=O)CC(ON(=O)=O)C(O)CC 	 InChI=1S/C8H15NO5/c1-3-6(10)5-8(7(11)4-2)14-9(12)13/h7-8,11H,3-5H2,1-2H3 	 205.2084 
 C152NO3 	 O=CCCC(CO)(O[N+](=O)[O-])C1CC(C)(C)C1CCC(=O)OC 	 InChI=1S/C15H25NO7/c1-14(2)9-12(11(14)5-6-13(19)22-3)15(10-18,7-4-8-17)23-16(20)21/h8,11-12,18H,4-7,9-10H2,1-3H3 	 331.3615 
 TM124QOH 	 CC1=C(C)C(=O)C(C)(O)C(O)C1=O 	 InChI=1S/C9H12O4/c1-4-5(2)7(11)9(3,13)8(12)6(4)10/h8,12-13H,1-3H3 	 184.1892 
 M23C4OOH 	 OOCC(C)C(C)C 	 InChI=1S/C6H14O2/c1-5(2)6(3)4-8-7/h5-7H,4H2,1-3H3 	 118.1742 
 MVKO 	 [O]CC(=O)C=C 	 InChI=1S/C4H5O2/c1-2-4(6)3-5/h2H,1,3H2 	 85.0813 
 TM124QO2 	 [O]OC1(C)C(O)C(=O)C(=C(C)C1=O)C 	 InChI=1S/C9H11O5/c1-4-5(2)7(11)9(3,14-13)8(12)6(4)10/h8,12H,1-3H3 	 199.1806 
 C3ME3CO3 	 [O]OC(=O)CC(C)C 	 InChI=1S/C5H9O3/c1-4(2)3-5(6)8-7/h4H,3H2,1-2H3 	 117.1232 
 CHOC4OHO2 	 [O]OCC(O)CCC=O 	 InChI=1S/C5H9O4/c6-3-1-2-5(7)4-9-8/h3,5,7H,1-2,4H2 	 133.1226 
 CO2M3C4CHO 	 O=CCC(C)C(=O)C 	 InChI=1S/C6H10O2/c1-5(3-4-7)6(2)8/h4-5H,3H2,1-2H3 	 114.1424 
 PROPALO 	 CC([O])C=O 	 InChI=1S/C3H5O2/c1-3(5)2-4/h2-3H,1H3 	 73.0706 
 ETHENO3O2 	 [O]OCCON(=O)=O 	 InChI=1S/C2H4NO5/c4-3(5)7-1-2-8-6/h1-2H2 	 122.0569 
 C625O 	 OCCC(=O)C(C)([O])CO 	 InChI=1S/C6H11O4/c1-6(10,4-8)5(9)2-3-7/h7-8H,2-4H2,1H3 	 147.1491 
 LIMONENE 	 CC1=CCC(CC1)C(=C)C 	 InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3 	 136.2340 
 EBZMUCOH 	 CCC(=O)C(O)C(O)C1OC1C=O 	 InChI=1S/C8H12O5/c1-2-4(10)6(11)7(12)8-5(3-9)13-8/h3,5-8,11-12H,2H2,1H3 	 188.1779 
 CYC6DIONO2 	 [O]OC1CCC(=O)C(=O)C1 	 InChI=1S/C6H7O4/c7-5-2-1-4(10-9)3-6(5)8/h4H,1-3H2 	 143.1174 
 C714OH 	 CC(=O)C(O)C(C)C(=O)C 	 InChI=1S/C7H12O3/c1-4(5(2)8)7(10)6(3)9/h4,7,10H,1-3H3 	 144.1684 
 MIBKAOHAO 	 CC(=O)C([O])C(C)(C)O 	 InChI=1S/C6H11O3/c1-4(7)5(8)6(2,3)9/h5,9H,1-3H3 	 131.1497 
 C75O 	 CC(=O)CC([O])C(C)C 	 InChI=1S/C7H13O2/c1-5(2)7(9)4-6(3)8/h5,7H,4H2,1-3H3 	 129.1769 
 C7MOHCOPAN 	 O=N(=O)OOC(=O)C(=C(C)C(=O)C(O)C(=O)C)C 	 InChI=1S/C9H11NO8/c1-4(7(12)8(13)6(3)11)5(2)9(14)17-18-10(15)16/h8,13H,1-3H3 	 261.1855 
 BU1ENO3O 	 CCC([O])CON(=O)=O 	 InChI=1S/C4H8NO4/c1-2-4(6)3-9-5(7)8/h4H,2-3H2,1H3 	 134.1106 
 NCRES1OOH 	 OOc1c(C)cccc1N(=O)=O 	 InChI=1S/C7H7NO4/c1-5-3-2-4-6(8(9)10)7(5)12-11/h2-4,11H,1H3 	 169.1348 
 H2M3CO5C6 	 CC(=O)CC(C)C(C)O 	 InChI=1S/C7H14O2/c1-5(7(3)9)4-6(2)8/h5,7,9H,4H2,1-3H3 	 130.1849 
 TM135MUNO3 	 O=CC1(C)OC1C(C)(ON(=O)=O)C(O)C(=O)C 	 InChI=1S/C9H13NO7/c1-5(12)6(13)9(3,17-10(14)15)7-8(2,4-11)16-7/h4,6-7,13H,1-3H3 	 247.2020 
 NMBOAOOH 	 OOC(CON(=O)=O)C(C)(C)O 	 InChI=1S/C5H11NO6/c1-5(2,7)4(12-10)3-11-6(8)9/h4,7,10H,3H2,1-2H3 	 181.1439 
 C6OTKETOOH 	 OOC(OC(=O)C(=O)C)C(=O)C 	 InChI=1S/C6H8O6/c1-3(7)5(9)11-6(12-10)4(2)8/h6,10H,1-2H3 	 176.1241 
 TBUTOLNO3 	 O=N(=O)OCC(C)(C)O 	 InChI=1S/C4H9NO4/c1-4(2,6)3-9-5(7)8/h6H,3H2,1-2H3 	 135.1186 
 C927NO3 	 OCCC(=C)C(=O)CC(C)(C)O[N+](=O)[O-] 	 InChI=1S/C9H15NO5/c1-7(4-5-11)8(12)6-9(2,3)15-10(13)14/h11H,1,4-6H2,2-3H3 	 217.2191 
 C7CO4DB 	 O=CC(=O)C=C(C)C(=O)C=O 	 InChI=1S/C7H6O4/c1-5(7(11)4-9)2-6(10)3-8/h2-4H,1H3 	 154.1201 
 HO3CO46C8 	 CCC(=O)CC(=O)C(O)CC 	 InChI=1S/C8H14O3/c1-3-6(9)5-8(11)7(10)4-2/h7,10H,3-5H2,1-2H3 	 158.1950 
 C714O2 	 [O]OC(C(=O)C)C(C)C(=O)C 	 InChI=1S/C7H11O4/c1-4(5(2)8)7(11-10)6(3)9/h4,7H,1-3H3 	 159.1598 
 NOETOLOOH 	 CCC1=C(C)C2OOC(C2ON(=O)=O)C1(O)OO 	 InChI=1S/C9H13NO8/c1-3-5-4(2)6-7(15-10(12)13)8(17-16-6)9(5,11)18-14/h6-8,11,14H,3H2,1-2H3 	 263.2014 
 IPBZPOXMUC 	 O=CC1OC1C=CC(=O)C(C)C 	 InChI=1S/C9H12O3/c1-6(2)7(11)3-4-8-9(5-10)12-8/h3-6,8-9H,1-2H3 	 168.1898 
 C930NO3 	 O=CCCC(=O)C(=O)CC(C)(C)O[N+](=O)[O-] 	 InChI=1S/C9H13NO6/c1-9(2,16-10(14)15)6-8(13)7(12)4-3-5-11/h5H,3-4,6H2,1-2H3 	 231.2026 
 EBZMUCO2 	 CCC(=O)C(O[O])C(O)C1OC1C=O 	 InChI=1S/C8H11O6/c1-2-4(10)7(14-12)6(11)8-5(3-9)13-8/h3,5-8,11H,2H2,1H3 	 203.1693 
 CH3OOH 	 COO 	 InChI=1S/CH4O2/c1-3-2/h2H,1H3 	 48.0413 
 EPXEKTCO3H 	 CCC1(OC1C(=O)C)C(=O)OO 	 InChI=1S/C7H10O5/c1-3-7(6(9)12-10)5(11-7)4(2)8/h5,10H,3H2,1-2H3 	 174.1513 
 MTBEACHO 	 O=COC(C)(C)C 	 InChI=1S/C5H10O2/c1-5(2,3)7-4-6/h4H,1-3H3 	 102.1317 
 IPBENZ 	 CC(C)c1ccccc1 	 InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3 	 120.1916 
 CO23C4CHO 	 O=CCC(=O)C(=O)C 	 InChI=1S/C5H6O3/c1-4(7)5(8)2-3-6/h3H,2H2,1H3 	 114.0993 
 BUTACID 	 CCCC(=O)O 	 InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6) 	 88.1051 
 NPTLQOOH 	 OOC1C(=O)C=C(C)C(=O)C1ON(=O)=O 	 InChI=1S/C7H7NO7/c1-3-2-4(9)6(15-13)7(5(3)10)14-8(11)12/h2,6-7,13H,1H3 	 217.1330 
 C736OH 	 OCC(=O)C(=C)CCC=O 	 InChI=1S/C7H10O3/c1-6(3-2-4-8)7(10)5-9/h4,9H,1-3,5H2 	 142.1525 
 BCALBO 	 O=CCCC(=C)C1CC(C)(C)C1CCC(=O)C[O] 	 InChI=1S/C15H23O3/c1-11(5-4-8-16)13-9-15(2,3)14(13)7-6-12(18)10-17/h8,13-14H,1,4-7,9-10H2,2-3H3 	 251.3413 
 HO7C8O 	 CCCCCCC(O)C[O] 	 InChI=1S/C8H17O2/c1-2-3-4-5-6-8(10)7-9/h8,10H,2-7H2,1H3 	 145.2194 
 C97OH 	 OCC1CC(O)(C(=O)C)C1(C)C 	 InChI=1S/C9H16O3/c1-6(11)9(12)4-7(5-10)8(9,2)3/h7,10,12H,4-5H2,1-3H3 	 172.2215 
 C4CONO3CO 	 O=CC(ON(=O)=O)C(=O)C 	 InChI=1S/C4H5NO5/c1-3(7)4(2-6)10-5(8)9/h2,4H,1H3 	 147.0862 
 PINALOOH 	 O=CCC1(OO)CC(C(=O)C)C1(C)C 	 InChI=1S/C10H16O4/c1-7(12)8-6-10(14-13,4-5-11)9(8,2)3/h5,8,13H,4,6H2,1-3H3 	 200.2316 
 NC1313OH 	 O=CCCC(O)(CO[N+](=O)[O-])C1CC(C)(C)C1CC=O 	 InChI=1S/C13H21NO6/c1-12(2)8-11(10(12)4-7-16)13(17,5-3-6-15)9-20-14(18)19/h6-7,10-11,17H,3-5,8-9H2,1-2H3 	 287.3089 
 PET1O 	 CCc1ccc(C)cc1[O] 	 InChI=1S/C9H11O/c1-3-8-5-4-7(2)6-9(8)10/h4-6H,3H2,1-2H3 	 135.1830 
 HO7C8CO3H 	 CCCCCCC(O)CC(=O)OO 	 InChI=1S/C9H18O4/c1-2-3-4-5-6-8(10)7-9(11)13-12/h8,10,12H,2-7H2,1H3 	 190.2368 
 C7DDCCO2H 	 CCC(=O)C=C(C)C(=O)O 	 InChI=1S/C7H10O3/c1-3-6(8)4-5(2)7(9)10/h4H,3H2,1-2H3,(H,9,10) 	 142.1525 
 CO2H3CHO 	 O=CC(O)C(=O)C 	 InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3 	 102.0886 
 NC1313O2 	 O=CCCC(O[O])(CO[N+](=O)[O-])C1CC(C)(C)C1CC=O 	 InChI=1S/C13H20NO7/c1-12(2)8-11(10(12)4-7-16)13(21-19,5-3-6-15)9-20-14(17)18/h6-7,10-11H,3-5,8-9H2,1-2H3 	 302.3004 
 NDNMETLOOH 	 CCC1=C(N(=O)=O)C2(OOC(C)(C2ON(=O)=O)C1(O)OO)N(=O)=O 	 InChI=1S/C9H11N3O12/c1-3-4-5(10(14)15)8(11(16)17)6(21-12(18)19)7(2,23-24-8)9(4,13)22-20/h6,13,20H,3H2,1-2H3 	 353.1965 
 TM135MUCO 	 O=CC1(C)OC1C(C)([O])C(O)C(=O)C 	 InChI=1S/C9H13O5/c1-5(11)6(12)9(3,13)7-8(2,4-10)14-7/h4,6-7,12H,1-3H3 	 201.1965 
 C97O2 	 OCC1CC(O[O])(C(=O)C)C1(C)C 	 InChI=1S/C9H15O4/c1-6(11)9(13-12)4-7(5-10)8(9,2)3/h7,10H,4-5H2,1-3H3 	 187.2130 
 INANCOPAN 	 O=N(=O)OCC(=O)C(C)(ON(=O)=O)C(=O)OON(=O)=O 	 InChI=1S/C5H5N3O12/c1-5(19-7(13)14,3(9)2-17-6(11)12)4(10)18-20-8(15)16/h2H2,1H3 	 299.1061 
 IPRFORMOOH 	 O=COC(C)(C)OO 	 InChI=1S/C4H8O4/c1-4(2,8-6)7-3-5/h3,6H,1-2H3 	 120.1039 
 CH3SO2CHO 	 O=CS(=O)(=O)C 	 InChI=1S/C2H4O3S/c1-6(4,5)2-3/h2H,1H3 	 108.1164 
 C736O2 	 [O]OCC(=O)C(=C)CCC=O 	 InChI=1S/C7H9O4/c1-6(3-2-4-8)7(9)5-11-10/h4H,1-3,5H2 	 157.1440 
 TM123OOH 	 OOc1ccc(C)c(C)c1C 	 InChI=1S/C9H12O2/c1-6-4-5-9(11-10)8(3)7(6)2/h4-5,10H,1-3H3 	 152.1904 
 C131OH 	 OCCC(=O)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C13H22O3/c1-9(15)4-5-11-10(8-13(11,2)3)12(16)6-7-14/h10-11,14H,4-8H2,1-3H3 	 226.3120 
 TMBCO3H 	 OOC(=O)c1cc(C)cc(C)c1 	 InChI=1S/C9H10O3/c1-6-3-7(2)5-8(4-6)9(10)12-11/h3-5,11H,1-2H3 	 166.1739 
 C6145COO 	 [O]CC(=O)C(=O)CCC=O 	 InChI=1S/C6H7O4/c7-3-1-2-5(9)6(10)4-8/h3H,1-2,4H2 	 143.1174 
 CLETPAN 	 ClCC(=O)OON(=O)=O 	 InChI=1S/C2H2ClNO5/c3-1-2(5)8-9-4(6)7/h1H2 	 155.4940 
 CL12PRAO 	 [O]CC(Cl)CCl 	 InChI=1S/C3H5Cl2O/c4-1-3(5)2-6/h3H,1-2H2 	 127.9772 
 C923NO3 	 CC(=O)CCC(CO[N+](=O)[O-])C(=C)C 	 InChI=1S/C9H15NO4/c1-7(2)9(5-4-8(3)11)6-14-10(12)13/h9H,1,4-6H2,2-3H3 	 201.2197 
 CHCL2CHO 	 O=CC(Cl)Cl 	 InChI=1S/C2H2Cl2O/c3-2(4)1-5/h1-2H 	 112.9427 
 CO2C54O 	 CC([O])CC(=O)C 	 InChI=1S/C5H9O2/c1-4(6)3-5(2)7/h4H,3H2,1-2H3 	 101.1238 
 DNC524CO 	 OCC(ON(=O)=O)C(CO)(C=O)ON(=O)=O 	 InChI=1S/C5H8N2O9/c8-1-4(15-6(11)12)5(2-9,3-10)16-7(13)14/h2,4,8,10H,1,3H2 	 240.1250 
 PE2ENEBO 	 CCC(O)C(C)[O] 	 InChI=1S/C5H11O2/c1-3-5(7)4(2)6/h4-5,7H,3H2,1-2H3 	 103.1396 
 NOPINBOH 	 O=C1CCC2C(O)C1C2(C)C 	 InChI=1S/C9H14O2/c1-9(2)5-3-4-6(10)7(9)8(5)11/h5,7-8,11H,3-4H2,1-2H3 	 154.2063 
 CHEXOOH 	 OOC1CCCCC1 	 InChI=1S/C6H12O2/c7-8-6-4-2-1-3-5-6/h6-7H,1-5H2 	 116.1583 
 C104O 	 CCCCC(=O)C([O])CC(=O)CC 	 InChI=1S/C10H17O3/c1-3-5-6-9(12)10(13)7-8(11)4-2/h10H,3-7H2,1-2H3 	 185.2402 
 ETHOXOOH 	 OOC1CO1 	 InChI=1S/C2H4O3/c3-5-2-1-4-2/h2-3H,1H2 	 76.0514 
 NOPINBO2 	 [O]OC1C2CCC(=O)C1C2(C)C 	 InChI=1S/C9H13O3/c1-9(2)5-3-4-6(10)7(9)8(5)12-11/h5,7-8H,3-4H2,1-2H3 	 169.1977 
 UDEC3ONE 	 CCCCCCCCC(=O)CC 	 InChI=1S/C11H22O/c1-3-5-6-7-8-9-10-11(12)4-2/h3-10H2,1-2H3 	 170.2918 
 C4MNO31OOH 	 OOC(CON(=O)=O)C(C)C 	 InChI=1S/C5H11NO5/c1-4(2)5(11-9)3-10-6(7)8/h4-5,9H,3H2,1-2H3 	 165.1445 
 C622NO3 	 [O-][N+](=O)OCC(CO)C(=C)C 	 InChI=1S/C6H11NO4/c1-5(2)6(3-8)4-11-7(9)10/h6,8H,1,3-4H2,2H3 	 161.1558 
 CHCL2CH3 	 CC(Cl)Cl 	 InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3 	 98.9592 
 NDNMETOLO2 	 CCC1=C(N(=O)=O)C2(OOC(C)(C2ON(=O)=O)C1(O)O[O])N(=O)=O 	 InChI=1S/C9H10N3O12/c1-3-4-5(10(14)15)8(11(16)17)6(21-12(18)19)7(2,23-24-8)9(4,13)22-20/h6,13H,3H2,1-2H3 	 352.1886 
 NAPINBO 	 O=N(=O)OC1(C)C([O])CC2CC1C2(C)C 	 InChI=1S/C10H16NO4/c1-9(2)6-4-7(9)10(3,8(12)5-6)15-11(13)14/h6-8H,4-5H2,1-3H3 	 214.2383 
 C715CO2OOH 	 OOC(C=O)C=CC(=O)CC 	 InChI=1S/C7H10O4/c1-2-6(9)3-4-7(5-8)11-10/h3-5,7,10H,2H2,1H3 	 158.1519 
 C131O2 	 [O]OCCC(=O)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C13H21O4/c1-9(14)4-5-11-10(8-13(11,2)3)12(15)6-7-17-16/h10-11H,4-8H2,1-3H3 	 241.3034 
 PXY1O 	 Cc1ccc(C)c([O])c1 	 InChI=1S/C8H9O/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3 	 121.1565 
 NIPBFUO2 	 [O]OC1C(=O)OC(C(C)C)C1ON(=O)=O 	 InChI=1S/C7H10NO7/c1-3(2)4-5(14-8(10)11)6(15-12)7(9)13-4/h3-6H,1-2H3 	 220.1568 
 BCSOZOH 	 OCC1(O)CCC2OOC(C)(CCC3C1CC3(C)C)O2 	 InChI=1S/C15H26O5/c1-13(2)8-11-10(13)4-6-14(3)18-12(19-20-14)5-7-15(11,17)9-16/h10-12,16-17H,4-9H2,1-3H3 	 286.3639 
 BOCOCH2OOH 	 OOCC(=O)OC(C)(C)C 	 InChI=1S/C6H12O4/c1-6(2,3)10-5(7)4-9-8/h8H,4H2,1-3H3 	 148.1571 
 C124OOH 	 CCCCCCC(=O)C(OO)CC(=O)CC 	 InChI=1S/C12H22O4/c1-3-5-6-7-8-11(14)12(16-15)9-10(13)4-2/h12,15H,3-9H2,1-2H3 	 230.3007 
 EPXMEDLCO3 	 CC1(OC1(CC)C=O)C(=O)O[O] 	 InChI=1S/C7H9O5/c1-3-7(4-8)6(2,12-7)5(9)11-10/h4H,3H2,1-2H3 	 173.1434 
 BOXCOCHO 	 CCCCOC(=O)C=O 	 InChI=1S/C6H10O3/c1-2-3-4-9-6(8)5-7/h5H,2-4H2,1H3 	 130.1418 
 DIEKBNO3 	 CCC(=O)CCON(=O)=O 	 InChI=1S/C5H9NO4/c1-2-5(7)3-4-10-6(8)9/h2-4H2,1H3 	 147.1293 
 IPCATEC1O 	 Oc1cccc(C(C)C)c1[O] 	 InChI=1S/C9H11O2/c1-6(2)7-4-3-5-8(10)9(7)11/h3-6,10H,1-2H3 	 151.1824 
 C713OOH 	 OOC(C)(CC(=O)C)C(=O)C 	 InChI=1S/C7H12O4/c1-5(8)4-7(3,11-10)6(2)9/h10H,4H2,1-3H3 	 160.1678 
 C79O2 	 [O]OCC(C)(O)C(=O)CC(=O)C 	 InChI=1S/C7H11O5/c1-5(8)3-6(9)7(2,10)4-12-11/h10H,3-4H2,1-2H3 	 175.1592 
 PHCOMEOH 	 OCC(=O)c1ccccc1 	 InChI=1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2 	 136.1479 
 HMGLYOOA 	 [O-]/[O+]=C(\CO)/C=O 	 InChI=1S/C3H4O4/c4-1-3(2-5)7-6/h1,5H,2H2 	 104.0615 
 BZFUOOH 	 OOC1C(O)COC1=O 	 InChI=1S/C4H6O5/c5-2-1-8-4(6)3(2)9-7/h2-3,5,7H,1H2 	 134.0874 
 PR2OHMONO3 	 COC(ON(=O)=O)C(C)O 	 InChI=1S/C4H9NO5/c1-3(6)4(9-2)10-5(7)8/h3-4,6H,1-2H3 	 151.1180 
 CH2OHCOCL 	 OCC(=O)Cl 	 InChI=1S/C2H3ClO2/c3-2(5)1-4/h4H,1H2 	 94.4970 
 C925O2 	 OCC(CC(=O)C(=O)C)C(C)(CO)O[O] 	 InChI=1S/C9H15O6/c1-6(12)8(13)3-7(4-10)9(2,5-11)15-14/h7,10-11H,3-5H2,1-2H3 	 219.2118 
 C129OOH 	 O=CCC(OO)C(=O)C1CC(C)(C)C1CC=O 	 InChI=1S/C12H18O5/c1-12(2)7-8(9(12)3-5-13)11(15)10(17-16)4-6-14/h5-6,8-10,16H,3-4,7H2,1-2H3 	 242.2683 
 ETHOHNO3 	 OCCON(=O)=O 	 InChI=1S/C2H5NO4/c4-1-2-7-3(5)6/h4H,1-2H2 	 107.0654 
 BCKAOOH 	 OOC1(C)CCC2C(CC2(C)C)C(=O)CCC1O 	 InChI=1S/C14H24O4/c1-13(2)8-9-10(13)6-7-14(3,18-17)12(16)5-4-11(9)15/h9-10,12,16-17H,4-8H2,1-3H3 	 256.3380 
 C730NO3 	 OCCC(C=O)C(C)(CO)O[N+](=O)[O-] 	 InChI=1S/C7H13NO6/c1-7(5-11,14-8(12)13)6(4-10)2-3-9/h4,6,9,11H,2-3,5H2,1H3 	 207.1812 
 C929CO 	 OCC(C)(C)C(=O)C(=O)CC(=O)C 	 InChI=1S/C9H14O4/c1-6(11)4-7(12)8(13)9(2,3)5-10/h10H,4-5H2,1-3H3 	 186.2051 
 C93CO 	 CCCC(O)C(=O)CC(=O)CC 	 InChI=1S/C9H16O3/c1-3-5-8(11)9(12)6-7(10)4-2/h8,11H,3-6H2,1-2H3 	 172.2215 
 BCSOZO2 	 OCC1(O[O])CCC2OOC(C)(CCC3C1CC3(C)C)O2 	 InChI=1S/C15H25O6/c1-13(2)8-11-10(13)4-6-14(3)18-12(19-21-14)5-7-15(11,9-16)20-17/h10-12,16H,4-9H2,1-3H3 	 301.3554 
 MXNCATECO2 	 [O]OC1(O)C(=C(N(=O)=O)C2(C)OOC1(C)C2O)O 	 InChI=1S/C8H10NO9/c1-6-3(9(13)14)4(10)8(12,16-15)7(2,5(6)11)18-17-6/h5,10-12H,1-2H3 	 264.1663 
 IPEAOH 	 CCC(C)CO 	 InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3 	 88.1482 
 CO234C65O2 	 CC(O[O])C(=O)C(=O)C(=O)C 	 InChI=1S/C6H7O5/c1-3(7)5(8)6(9)4(2)11-10/h4H,1-2H3 	 159.1168 
 PBZQO 	 O=C1C=CC(=O)C(O)C1[O] 	 InChI=1S/C6H5O4/c7-3-1-2-4(8)6(10)5(3)9/h1-2,5-6,9H 	 141.1015 
 C3MNO3CHO 	 O=CC(ON(=O)=O)C(C)C 	 InChI=1S/C5H9NO4/c1-4(2)5(3-7)10-6(8)9/h3-5H,1-2H3 	 147.1293 
 CO23C65O 	 CC([O])CC(=O)C(=O)C 	 InChI=1S/C6H9O3/c1-4(7)3-6(9)5(2)8/h4H,3H2,1-2H3 	 129.1339 
 HEX2ONAO2 	 CCC(O[O])CC(=O)C 	 InChI=1S/C6H11O3/c1-3-6(9-8)4-5(2)7/h6H,3-4H2,1-2H3 	 131.1497 
 C731PAN 	 O=CCC(CCC(=O)OO[N+](=O)[O-])C(=O)C 	 InChI=1S/C8H11NO7/c1-6(11)7(4-5-10)2-3-8(12)15-16-9(13)14/h5,7H,2-4H2,1H3 	 233.1754 
 BZEPOXMUC 	 O=CC=CC1OC1C=O 	 InChI=1S/C6H6O3/c7-3-1-2-5-6(4-8)9-5/h1-6H 	 126.1100 
 DMPHCOMOOH 	 OOCC(=O)c1cc(C)cc(C)c1 	 InChI=1S/C10H12O3/c1-7-3-8(2)5-9(4-7)10(11)6-13-12/h3-5,12H,6H2,1-2H3 	 180.2005 
 EMALANHY 	 CCC1=CC(=O)OC1=O 	 InChI=1S/C6H6O3/c1-2-4-3-5(7)9-6(4)8/h3H,2H2,1H3 	 126.1100 
 C116OOH 	 OOCCC(=O)C1CC(C)(C)C1CC=O 	 InChI=1S/C11H18O4/c1-11(2)7-8(9(11)3-5-12)10(13)4-6-15-14/h5,8-9,14H,3-4,6-7H2,1-2H3 	 214.2582 
 IPBENZOLO 	 CC(C)C12OOC(C2O)C([O])(O)C=C1 	 InChI=1S/C9H13O5/c1-5(2)8-3-4-9(11,12)7(6(8)10)13-14-8/h3-7,10-11H,1-2H3 	 201.1965 
 C6CO34O 	 CCC(=O)C(=O)C(C)[O] 	 InChI=1S/C6H9O3/c1-3-5(8)6(9)4(2)7/h4H,3H2,1-2H3 	 129.1339 
 HO1C6O2 	 OCCCC(CC)O[O] 	 InChI=1S/C6H13O3/c1-2-6(9-8)4-3-5-7/h6-7H,2-5H2,1H3 	 133.1656 
 HO3C4CO3 	 CCC(O)CC(=O)O[O] 	 InChI=1S/C5H9O4/c1-2-4(6)3-5(7)9-8/h4,6H,2-3H2,1H3 	 133.1226 
 HO14CO2C5 	 OCC(=O)CC(C)O 	 InChI=1S/C5H10O3/c1-4(7)2-5(8)3-6/h4,6-7H,2-3H2,1H3 	 118.1311 
 HO2C43CO2H 	 CC(O)C(C)C(=O)O 	 InChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8) 	 118.1311 
 CO3H4PAN 	 CCC(=O)C(O)C(=O)OON(=O)=O 	 InChI=1S/C5H7NO7/c1-2-3(7)4(8)5(9)12-13-6(10)11/h4,8H,2H2,1H3 	 193.1116 
 EIPKBOOH 	 CC(COO)C(=O)CC 	 InChI=1S/C6H12O3/c1-3-6(7)5(2)4-9-8/h5,8H,3-4H2,1-2H3 	 132.1577 
 HM22C3CHO 	 O=CCC(C)(C)CO 	 InChI=1S/C6H12O2/c1-6(2,5-8)3-4-7/h4,8H,3,5H2,1-2H3 	 116.1583 
 CHCL2CO2H 	 ClC(Cl)C(=O)O 	 InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6) 	 128.9421 
 HO8C9CO3 	 CCCCCCCC(O)CC(=O)O[O] 	 InChI=1S/C10H19O4/c1-2-3-4-5-6-7-9(11)8-10(12)14-13/h9,11H,2-8H2,1H3 	 203.2555 
 COO2C3CHO 	 COC(=O)CC=O 	 InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3 	 102.0886 
 C98NO3 	 OCC(CC(=O)C(=O)C)C(C)(C)ON(=O)=O 	 InChI=1S/C9H15NO6/c1-6(12)8(13)4-7(5-11)9(2,3)16-10(14)15/h7,11H,4-5H2,1-3H3 	 233.2185 
 M2HEXAO 	 CC(C)CCC(C)[O] 	 InChI=1S/C7H15O/c1-6(2)4-5-7(3)8/h6-7H,4-5H2,1-3H3 	 115.1934 
 C115OOH 	 CCCCCC(=O)C(=O)C(OO)C(=O)CC 	 InChI=1S/C11H18O5/c1-3-5-6-7-9(13)10(14)11(16-15)8(12)4-2/h11,15H,3-7H2,1-2H3 	 230.2576 
 EMPHGLYOX 	 O=CC(=O)c1cc(CC)cc(C)c1 	 InChI=1S/C11H12O2/c1-3-9-4-8(2)5-10(6-9)11(13)7-12/h4-7H,3H2,1-2H3 	 176.2118 
 PBENZO2 	 CCCc1ccccc1O[O] 	 InChI=1S/C9H11O2/c1-2-5-8-6-3-4-7-9(8)11-10/h3-4,6-7H,2,5H2,1H3 	 151.1824 
 C1011PAN 	 CC(=O)CCC1C(CC1(C)C)C(=O)OO[N+](=O)[O-] 	 InChI=1S/C11H17NO6/c1-7(13)4-5-9-8(6-11(9,2)3)10(14)17-18-12(15)16/h8-9H,4-6H2,1-3H3 	 259.2558 
 C133O2 	 OCCC(=O)C(=O)CC(C)(C)C(O[O])CCC(=O)C 	 InChI=1S/C13H21O6/c1-9(15)4-5-12(19-18)13(2,3)8-11(17)10(16)6-7-14/h12,14H,4-8H2,1-3H3 	 273.3022 
 EMALNHY2OH 	 CCC1(O)C(=O)OC(=O)C1O 	 InChI=1S/C6H8O5/c1-2-6(10)3(7)4(8)11-5(6)9/h3,7,10H,2H2,1H3 	 160.1247 
 CH2BRO 	 [O]CBr 	 InChI=1S/CH2BrO/c2-1-3/h1H2 	 109.9300 
 C42CO3 	 OCC(C)C(O)C(=O)O[O] 	 InChI=1S/C5H9O5/c1-3(2-6)4(7)5(8)10-9/h3-4,6-7H,2H2,1H3 	 149.1220 
 BZBIPERO 	 [O]C1C=CC2OOC1C2O 	 InChI=1S/C6H7O4/c7-3-1-2-4-5(8)6(3)10-9-4/h1-6,8H 	 143.1174 
 HNBIACET 	 OCC(=O)C(=O)CON(=O)=O 	 InChI=1S/C4H5NO6/c6-1-3(7)4(8)2-11-5(9)10/h6H,1-2H2 	 163.0856 
 IPBFUO 	 CC(C)C1OC(=O)C([O])C1O 	 InChI=1S/C7H11O4/c1-3(2)6-4(8)5(9)7(10)11-6/h3-6,8H,1-2H3 	 159.1598 
 C522CO3H 	 OOC(=O)C(=C)CCC=O 	 InChI=1S/C6H8O4/c1-5(3-2-4-7)6(8)10-9/h4,9H,1-3H2 	 144.1253 
 C7DCCO2H 	 CCCC(=O)C=CC(=O)O 	 InChI=1S/C7H10O3/c1-2-3-6(8)4-5-7(9)10/h4-5H,2-3H2,1H3,(H,9,10) 	 142.1525 
 HO13CO4C5 	 CC(=O)C(O)CCO 	 InChI=1S/C5H10O3/c1-4(7)5(8)2-3-6/h5-6,8H,2-3H2,1H3 	 118.1311 
 MXYMUCPAN 	 O=N(=O)OOC(=O)C1(C)OC1C=CC(=O)C 	 InChI=1S/C8H9NO7/c1-5(10)3-4-6-8(2,14-6)7(11)15-16-9(12)13/h3-4,6H,1-2H3 	 231.1596 
 NPROACEAO 	 CC([O])COC(=O)C 	 InChI=1S/C5H9O3/c1-4(6)3-8-5(2)7/h4H,3H2,1-2H3 	 117.1232 
 C7CO2DBAL 	 CCC(=O)C=CC(=O)C=O 	 InChI=1S/C7H8O3/c1-2-6(9)3-4-7(10)5-8/h3-5H,2H2,1H3 	 140.1366 
 HEXAOOH 	 CCCCCCOO 	 InChI=1S/C6H14O2/c1-2-3-4-5-6-8-7/h7H,2-6H2,1H3 	 118.1742 
 MMFOOH 	 O=COC(OC)OO 	 InChI=1S/C3H6O5/c1-6-3(8-5)7-2-4/h2-3,5H,1H3 	 122.0767 
 PETLMUCCO 	 CC1(OC1C=O)C(O)C(=O)C(=O)CC 	 InChI=1S/C9H12O5/c1-3-5(11)7(12)8(13)9(2)6(4-10)14-9/h4,6,8,13H,3H2,1-2H3 	 200.1886 
 C115O2 	 CCCCCC(=O)C(=O)C(O[O])C(=O)CC 	 InChI=1S/C11H17O5/c1-3-5-6-7-9(13)10(14)11(16-15)8(12)4-2/h11H,3-7H2,1-2H3 	 229.2497 
 CATEC1OOH 	 OOc1ccccc1O 	 InChI=1S/C6H6O3/c7-5-3-1-2-4-6(5)9-8/h1-4,7-8H 	 126.1100 
 C815CO2OH 	 CCCC(=O)C=CC(O)C=O 	 InChI=1S/C8H12O3/c1-2-3-7(10)4-5-8(11)6-9/h4-6,8,11H,2-3H2,1H3 	 156.1791 
 TOL4OHNO2 	 Cc1ccc(O)c(c1)N(=O)=O 	 InChI=1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3 	 153.1354 
 NO3CH2CO3H 	 OOC(=O)CON(=O)=O 	 InChI=1S/C2H3NO6/c4-2(9-7)1-8-3(5)6/h7H,1H2 	 137.0483 
 ACBUOAOOH 	 OOC(CC(=O)C)OC(=O)C 	 InChI=1S/C6H10O5/c1-4(7)3-6(11-9)10-5(2)8/h6,9H,3H2,1-2H3 	 162.1406 
 C815CO2O2 	 CCCC(=O)C=CC(O[O])C=O 	 InChI=1S/C8H11O4/c1-2-3-7(10)4-5-8(6-9)12-11/h4-6,8H,2-3H2,1H3 	 171.1705 
 NOXYFUOOH 	 OOC1(C)C(=O)OCC1(C)ON(=O)=O 	 InChI=1S/C6H9NO7/c1-5(13-7(9)10)3-12-4(8)6(5,2)14-11/h11H,3H2,1-2H3 	 207.1382 
 C819OOH 	 OCC(C)(OO)C(=O)CCC(=O)C 	 InChI=1S/C8H14O5/c1-6(10)3-4-7(11)8(2,5-9)13-12/h9,12H,3-5H2,1-2H3 	 190.1938 
 HMACRO 	 OCC([O])(CO)C=O 	 InChI=1S/C4H7O4/c5-1-4(8,2-6)3-7/h1,6-7H,2-3H2 	 119.0960 
 C64OH5O2 	 CC(O[O])C(O)CCC 	 InChI=1S/C6H13O3/c1-3-4-6(7)5(2)9-8/h5-7H,3-4H2,1-2H3 	 133.1656 
 C729NO3 	 O=CCC(CO[N+](=O)[O-])C(=C)C 	 InChI=1S/C7H11NO4/c1-6(2)7(3-4-9)5-12-8(10)11/h4,7H,1,3,5H2,2H3 	 173.1665 
 CCLOHCOCL 	 ClC(=O)C(O)Cl 	 InChI=1S/C2H2Cl2O2/c3-1(5)2(4)6/h1,5H 	 128.9421 
 C3M3OH2CHO 	 O=CC(O)C(C)C 	 InChI=1S/C5H10O2/c1-4(2)5(7)3-6/h3-5,7H,1-2H3 	 102.1317 
 CH2CLCHCL2 	 ClCC(Cl)Cl 	 InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2 	 133.4042 
 NDMEPHOLO 	 CCC12OOC(C)(C=C(C)C2(O)[O])C1ON(=O)=O 	 InChI=1S/C10H14NO7/c1-4-9-7(16-11(14)15)8(3,17-18-9)5-6(2)10(9,12)13/h5,7,12H,4H2,1-3H3 	 260.2207 
 MMFO2 	 O=COC(OC)O[O] 	 InChI=1S/C3H5O5/c1-6-3(8-5)7-2-4/h2-3H,1H3 	 121.0688 
 TPENT2ENE 	 CC\C=C\C 	 InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3+ 	 70.1329 
 MIBK3COOOH 	 OOC(C)(C)C(=O)C(=O)C 	 InChI=1S/C6H10O4/c1-4(7)5(8)6(2,3)10-9/h9H,1-3H3 	 146.1412 
 NCATECO 	 O=N(=O)C12OOC(C2O)C(O)([O])C(=C1)O 	 InChI=1S/C6H6NO8/c8-2-1-5(7(12)13)3(9)4(14-15-5)6(2,10)11/h1,3-4,8-10H 	 220.1137 
 EPXEKTPAN 	 CCC1(OC1C(=O)C)C(=O)OON(=O)=O 	 InChI=1S/C7H9NO7/c1-3-7(5(13-7)4(2)9)6(10)14-15-8(11)12/h5H,3H2,1-2H3 	 219.1489 
 DMMANO3 	 COCOCON(=O)=O 	 InChI=1S/C3H7NO5/c1-7-2-8-3-9-4(5)6/h2-3H2,1H3 	 137.0914 
 C118O 	 OCCC(=O)C(=O)CC(C)(C)C([O])CC=O 	 InChI=1S/C11H17O5/c1-11(2,10(16)4-6-13)7-9(15)8(14)3-5-12/h6,10,12H,3-5,7H2,1-2H3 	 229.2497 
 C123NO3 	 CCCCCCC(O)C(CC(=O)CC)ON(=O)=O 	 InChI=1S/C12H23NO5/c1-3-5-6-7-8-11(15)12(18-13(16)17)9-10(14)4-2/h11-12,15H,3-9H2,1-2H3 	 261.3147 
 C103CO 	 CCCCC(O)C(=O)CC(=O)CC 	 InChI=1S/C10H18O3/c1-3-5-6-9(12)10(13)7-8(11)4-2/h9,12H,3-7H2,1-2H3 	 186.2481 
 C7ADCPAN 	 O=N(=O)OOC(=O)C(=C(C)C(=O)C)C 	 InChI=1S/C7H9NO6/c1-4(6(3)9)5(2)7(10)13-14-8(11)12/h1-3H3 	 203.1495 
 PETOLO2 	 [O]OC1(O)C=C(C)C2OOC1(CC)C2O 	 InChI=1S/C9H13O6/c1-3-8-7(10)6(13-15-8)5(2)4-9(8,11)14-12/h4,6-7,10-11H,3H2,1-2H3 	 217.1959 
 PHCOCOCOOH 	 OOCC(=O)C(=O)c1ccccc1 	 InChI=1S/C9H8O4/c10-8(6-13-12)9(11)7-4-2-1-3-5-7/h1-5,12H,6H2 	 180.1574 
 ACEETOHOOH 	 CC(=O)OC(O)COO 	 InChI=1S/C4H8O5/c1-3(5)9-4(6)2-8-7/h4,6-7H,2H2,1H3 	 136.1033 
 ETOLO 	 CC([O])c1ccccc1C 	 InChI=1S/C9H11O/c1-7-5-3-4-6-9(7)8(2)10/h3-6,8H,1-2H3 	 135.1830 
 BPINAO2 	 OCC1(O[O])CCC2CC1C2(C)C 	 InChI=1S/C10H17O3/c1-9(2)7-3-4-10(6-11,13-12)8(9)5-7/h7-8,11H,3-6H2,1-2H3 	 185.2402 
 M2PEBO2 	 [O]OC(C)CC(C)C 	 InChI=1S/C6H13O2/c1-5(2)4-6(3)8-7/h5-6H,4H2,1-3H3 	 117.1662 
 MXYMUCCO3H 	 CC1(OC1C=CC(=O)C)C(=O)OO 	 InChI=1S/C8H10O5/c1-5(9)3-4-6-8(2,12-6)7(10)13-11/h3-4,6,11H,1-2H3 	 186.1620 
 C4OHPAN 	 CCCC(O)C(=O)OON(=O)=O 	 InChI=1S/C5H9NO6/c1-2-3-4(7)5(8)11-12-6(9)10/h4,7H,2-3H2,1H3 	 179.1281 
 DDEC3ONE 	 CCCCCCCCCC(=O)CC 	 InChI=1S/C12H24O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h3-11H2,1-2H3 	 184.3184 
 NTM123LOOH 	 OOC1(O)C2OOC(C)(C2ON(=O)=O)C(=C1C)C 	 InChI=1S/C9H13NO8/c1-4-5(2)9(11,17-14)7-6(15-10(12)13)8(4,3)18-16-7/h6-7,11,14H,1-3H3 	 263.2014 
 HO3C76O2 	 CCC(O)CCC(C)O[O] 	 InChI=1S/C7H15O3/c1-3-7(8)5-4-6(2)10-9/h6-8H,3-5H2,1-2H3 	 147.1922 
 C108NO3 	 O=CCC(CC(=O)C(=O)C)C(C)(C)ON(=O)=O 	 InChI=1S/C10H15NO6/c1-7(13)9(14)6-8(4-5-12)10(2,3)17-11(15)16/h5,8H,4,6H2,1-3H3 	 245.2292 
 M2PEBOH 	 CC(C)CC(C)O 	 InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3 	 102.1748 
 BPINAOH 	 OCC1(O)CCC2CC1C2(C)C 	 InChI=1S/C10H18O2/c1-9(2)7-3-4-10(12,6-11)8(9)5-7/h7-8,11-12H,3-6H2,1-2H3 	 170.2487 
 HEXCOOH 	 CCCC(CC)OO 	 InChI=1S/C6H14O2/c1-3-5-6(4-2)8-7/h6-7H,3-5H2,1-2H3 	 118.1742 
 EIPEOOH 	 CCOC(C)(C)OO 	 InChI=1S/C5H12O3/c1-4-7-5(2,3)8-6/h6H,4H2,1-3H3 	 120.1470 
 NDNOXYOLO 	 O=N(=O)OC1C2(C)OOC1(N(=O)=O)C([O])(O)C(=C2C)N(=O)=O 	 InChI=1S/C8H8N3O11/c1-3-4(9(14)15)8(12,13)7(10(16)17)5(20-11(18)19)6(3,2)21-22-7/h5,12H,1-2H3 	 322.1626 
 C615OH 	 O=CC(O)C(C)(C)C=O 	 InChI=1S/C6H10O3/c1-6(2,4-8)5(9)3-7/h3-5,9H,1-2H3 	 130.1418 
 M22C3CO3H 	 OOC(=O)CC(C)(C)C 	 InChI=1S/C6H12O3/c1-6(2,3)4-5(7)9-8/h8H,4H2,1-3H3 	 132.1577 
 GLYOOB 	 [O-][O+]=CC=O 	 InChI=1S/C2H2O3/c3-1-2-5-4/h1-2H 	 74.0355 
 GLYOOC 	 [O-][O+]=CC=O 	 InChI=1S/C2H2O3/c3-1-2-5-4/h1-2H 	 74.0355 
 GLYOOA 	 [O-][O+]=CC=O 	 InChI=1S/C2H2O3/c3-1-2-5-4/h1-2H 	 74.0355 
 C81O 	 CCCC(O)CC(=O)C(C)[O] 	 InChI=1S/C8H15O3/c1-3-4-7(10)5-8(11)6(2)9/h6-7,10H,3-5H2,1-2H3 	 159.2029 
 MTBEBCHO 	 COC(C)(C)C=O 	 InChI=1S/C5H10O2/c1-5(2,4-6)7-3/h4H,1-3H3 	 102.1317 
 C820O 	 OCC([O])(CC(=O)C(=O)C)C(=O)C 	 InChI=1S/C8H11O5/c1-5(10)7(12)3-8(13,4-9)6(2)11/h9H,3-4H2,1-2H3 	 187.1699 
 MMFOH 	 COC(O)OC=O 	 InChI=1S/C3H6O4/c1-6-3(5)7-2-4/h2-3,5H,1H3 	 106.0773 
 CDICLETH 	 Cl/C=C\Cl 	 InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1- 	 96.9433 
 C6ETCO4DB 	 O=CC(=O)C=C(CC)C(=O)C=O 	 InChI=1S/C8H8O4/c1-2-6(8(12)5-10)3-7(11)4-9/h3-5H,2H2,1H3 	 168.1467 
 CYHXONAO2 	 [O]OC1CCCC(=O)C1 	 InChI=1S/C6H9O3/c7-5-2-1-3-6(4-5)9-8/h6H,1-4H2 	 129.1339 
 DMPHO 	 Cc1cc(C)cc([O])c1 	 InChI=1S/C8H9O/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3 	 121.1565 
 TBUACOH 	 OCC(C)(C)OC(=O)C 	 InChI=1S/C6H12O3/c1-5(8)9-6(2,3)4-7/h7H,4H2,1-3H3 	 132.1577 
 C6CO3HO25 	 CC(O)CC(=O)C(C)O 	 InChI=1S/C6H12O3/c1-4(7)3-6(9)5(2)8/h4-5,7-8H,3H2,1-2H3 	 132.1577 
 CH3SCH2O2 	 CSCO[O] 	 InChI=1S/C2H5O2S/c1-5-2-4-3/h2H2,1H3 	 93.1249 
 MC4CONO3O 	 [O]CC(C)(ON(=O)=O)C(=O)C 	 InChI=1S/C5H8NO5/c1-4(8)5(2,3-7)11-6(9)10/h3H2,1-2H3 	 162.1207 
 DDECO2 	 CCCCCCCCCC(CC)O[O] 	 InChI=1S/C12H25O2/c1-3-5-6-7-8-9-10-11-12(4-2)14-13/h12H,3-11H2,1-2H3 	 201.3257 
 HO3C106OOH 	 CCCCC(OO)CCC(O)CC 	 InChI=1S/C10H22O3/c1-3-5-6-10(13-12)8-7-9(11)4-2/h9-12H,3-8H2,1-2H3 	 190.2799 
 C1013CO3 	 COC(=O)CCC1C(CC1(C)C)C(=O)O[O] 	 InChI=1S/C11H17O5/c1-11(2)6-7(10(13)16-14)8(11)4-5-9(12)15-3/h7-8H,4-6H2,1-3H3 	 229.2497 
 C66NO35O 	 CCCCC([O])CON(=O)=O 	 InChI=1S/C6H12NO4/c1-2-3-4-6(8)5-11-7(9)10/h6H,2-5H2,1H3 	 162.1638 
 C615CO3H 	 OOC(=O)C(C=O)C(C)(C)C=O 	 InChI=1S/C7H10O5/c1-7(2,4-9)5(3-8)6(10)12-11/h3-5,11H,1-2H3 	 174.1513 
 C5NO3COAO 	 CC([O])CC(=O)CON(=O)=O 	 InChI=1S/C5H8NO5/c1-4(7)2-5(8)3-11-6(9)10/h4H,2-3H2,1H3 	 162.1207 
 DNMXYOLO 	 O=N(=O)C1=C(C)C([O])(O)C2(C)OOC1(N(=O)=O)C2O 	 InChI=1S/C8H9N2O9/c1-3-4(9(14)15)7(10(16)17)5(11)6(2,18-19-7)8(3,12)13/h5,11-12H,1-2H3 	 277.1651 
 PRCOOMPAN 	 CCCC(=O)OCC(=O)OON(=O)=O 	 InChI=1S/C6H9NO7/c1-2-3-5(8)12-4-6(9)13-14-7(10)11/h2-4H2,1H3 	 207.1382 
 DNIPBZLOOH 	 OOC1(O)C(=CC2(OOC1(C(C)C)C2O)N(=O)=O)N(=O)=O 	 InChI=1S/C9H12N2O10/c1-4(2)8-6(12)7(11(16)17,20-21-8)3-5(10(14)15)9(8,13)19-18/h3-4,6,12-13,18H,1-2H3 	 308.1990 
 DDECOH 	 CCCCCCCCCC(O)CC 	 InChI=1S/C12H26O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h12-13H,3-11H2,1-2H3 	 186.3342 
 CH2CLCH2O 	 [O]CCCl 	 InChI=1S/C2H4ClO/c3-1-2-4/h1-2H2 	 79.5056 
 CH3SCH2OH 	 CSCO 	 InChI=1S/C2H6OS/c1-4-2-3/h3H,2H2,1H3 	 78.1334 
 C52NO3 	 OCC(C)CCON(=O)=O 	 InChI=1S/C5H11NO4/c1-5(4-7)2-3-10-6(8)9/h5,7H,2-4H2,1H3 	 149.1451 
 TRICLETH 	 ClC=C(Cl)Cl 	 InChI=1S/C2HCl3/c3-1-2(4)5/h1H 	 131.3883 
 ACETCOC2H5 	 CCC(=O)OC(=O)C 	 InChI=1S/C5H8O3/c1-3-5(7)8-4(2)6/h3H2,1-2H3 	 116.1152 
 MOXCOCH2OH 	 COC(=O)CO 	 InChI=1S/C3H6O3/c1-6-3(5)2-4/h4H,2H2,1H3 	 90.0779 
 CYHXONAOH 	 OC1CCCC(=O)C1 	 InChI=1S/C6H10O2/c7-5-2-1-3-6(8)4-5/h5,7H,1-4H2 	 114.1424 
 CO25C6CO3 	 [O]OC(=O)CC(=O)CCC(=O)C 	 InChI=1S/C7H9O5/c1-5(8)2-3-6(9)4-7(10)12-11/h2-4H2,1H3 	 173.1434 
 C831O2 	 O=CCC(O[O])C(C)(C)CC=O 	 InChI=1S/C8H13O4/c1-8(2,4-6-10)7(12-11)3-5-9/h5-7H,3-4H2,1-2H3 	 173.1864 
 C627O 	 CC(=O)CCC(=O)C[O] 	 InChI=1S/C6H9O3/c1-5(8)2-3-6(9)4-7/h2-4H2,1H3 	 129.1339 
 M23C4O 	 [O]CC(C)C(C)C 	 InChI=1S/C6H13O/c1-5(2)6(3)4-7/h5-6H,4H2,1-3H3 	 101.1668 
 CY6DIONO 	 [O]C1CC(=O)CC(=O)C1 	 InChI=1S/C6H7O3/c7-4-1-5(8)3-6(9)2-4/h4H,1-3H2 	 127.1180 
 DE35TOH 	 CCc1cc(C)cc(c1)C(C)O 	 InChI=1S/C11H16O/c1-4-10-5-8(2)6-11(7-10)9(3)12/h5-7,9,12H,4H2,1-3H3 	 164.2441 
 TLFUO 	 CC1OC(=O)C([O])C1O 	 InChI=1S/C5H7O4/c1-2-3(6)4(7)5(8)9-2/h2-4,6H,1H3 	 131.1067 
 NON3ONE 	 CCCCCCC(=O)CC 	 InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h3-8H2,1-2H3 	 142.2386 
 NTM124OLO 	 O=N(=O)OC1C2OOC1(C)C(O)([O])C(=C2C)C 	 InChI=1S/C9H12NO7/c1-4-5(2)9(11,12)8(3)7(15-10(13)14)6(4)16-17-8/h6-7,11H,1-3H3 	 246.1941 
 PHCOMEO2 	 [O]OCC(=O)c1ccccc1 	 InChI=1S/C8H7O3/c9-8(6-11-10)7-4-2-1-3-5-7/h1-5H,6H2 	 151.1394 
 C7ECO4DB 	 O=CC(=O)C(=CC(=O)C(=O)C)CC 	 InChI=1S/C9H10O4/c1-3-7(9(13)5-10)4-8(12)6(2)11/h4-5H,3H2,1-2H3 	 182.1733 
 DIETETO 	 CCOC(C)[O] 	 InChI=1S/C4H9O2/c1-3-6-4(2)5/h4H,3H2,1-2H3 	 89.1131 
 C4M2NO33O2 	 [O]OC(C)(C)C(C)ON(=O)=O 	 InChI=1S/C5H10NO5/c1-4(10-6(7)8)5(2,3)11-9/h4H,1-3H3 	 164.1366 
 C5DBCOCO3H 	 OOC(=O)C=C(C)C(=O)C 	 InChI=1S/C6H8O4/c1-4(5(2)7)3-6(8)10-9/h3,9H,1-2H3 	 144.1253 
 HO2MC5OOH 	 OOCC(C)CC(C)O 	 InChI=1S/C6H14O3/c1-5(4-9-8)3-6(2)7/h5-8H,3-4H2,1-2H3 	 134.1736 
 H3M3C4CHO 	 CC(O)(CC=O)CC 	 InChI=1S/C6H12O2/c1-3-6(2,8)4-5-7/h5,8H,3-4H2,1-2H3 	 116.1583 
 C1214OOH 	 O=CCCC(=O)C1(OO)CC(C)(C)C1CCO 	 InChI=1S/C12H20O5/c1-11(2)8-12(17-16,9(11)5-7-14)10(15)4-3-6-13/h6,9,14,16H,3-5,7-8H2,1-2H3 	 244.2842 
 HMVKBPAN 	 OCC(C(=O)C)C(=O)OO[N+](=O)[O-] 	 InChI=1S/C5H7NO7/c1-3(8)4(2-7)5(9)12-13-6(10)11/h4,7H,2H2,1H3 	 193.1116 
 HCOCH2CO3H 	 OOC(=O)CC=O 	 InChI=1S/C3H4O4/c4-2-1-3(5)7-6/h2,6H,1H2 	 104.0615 
 NDNOETOLO 	 CCC12OOC(N(=O)=O)(C2ON(=O)=O)C([O])(O)C(=C1C)N(=O)=O 	 InChI=1S/C9H10N3O11/c1-3-7-4(2)5(10(15)16)9(13,14)8(11(17)18,23-22-7)6(7)21-12(19)20/h6,13H,3H2,1-2H3 	 336.1892 
 DE35TO2 	 [O]OC(C)c1cc(CC)cc(C)c1 	 InChI=1S/C11H15O2/c1-4-10-5-8(2)6-11(7-10)9(3)13-12/h5-7,9H,4H2,1-3H3 	 179.2356 
 C831OH 	 O=CCC(O)C(C)(C)CC=O 	 InChI=1S/C8H14O3/c1-8(2,4-6-10)7(11)3-5-9/h5-7,11H,3-4H2,1-2H3 	 158.1950 
 HO2CO4CHO 	 CC(O)CC(=O)C=O 	 InChI=1S/C5H8O3/c1-4(7)2-5(8)3-6/h3-4,7H,2H2,1H3 	 116.1152 
 HOBUT2CO3H 	 OCCC(C)C(=O)OO 	 InChI=1S/C5H10O4/c1-4(2-3-6)5(7)9-8/h4,6,8H,2-3H2,1H3 	 134.1305 
 HO3C116NO3 	 CCCCCC(CCC(O)CC)ON(=O)=O 	 InChI=1S/C11H23NO4/c1-3-5-6-7-11(16-12(14)15)9-8-10(13)4-2/h10-11,13H,3-9H2,1-2H3 	 233.3046 
 EBZBIPERO 	 CCC12OOC(C([O])C=C1)C2O 	 InChI=1S/C8H11O4/c1-2-8-4-3-5(9)6(7(8)10)11-12-8/h3-7,10H,2H2,1H3 	 171.1705 
 C118OOH 	 OCCC(=O)C(=O)CC(C)(C)C(OO)CC=O 	 InChI=1S/C11H18O6/c1-11(2,10(17-16)4-6-13)7-9(15)8(14)3-5-12/h6,10,12,16H,3-5,7H2,1-2H3 	 246.2570 
 C141OO 	 [O-][O+]=C(CCC(=O)O)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H22O5/c1-9(15)4-5-11-10(8-14(11,2)3)12(19-18)6-7-13(16)17/h10-11H,4-8H2,1-3H3,(H,16,17) 	 270.3215 
 C141OH 	 OCCC(=C)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H24O2/c1-10(7-8-15)12-9-14(3,4)13(12)6-5-11(2)16/h12-13,15H,1,5-9H2,2-4H3 	 224.3392 
 NOPINDO 	 [O]C1CC2CC(C1=O)C2(C)C 	 InChI=1S/C9H13O2/c1-9(2)5-3-6(9)8(11)7(10)4-5/h5-7H,3-4H2,1-2H3 	 153.1983 
 C822CO3H 	 O=CCC(CCC(=O)OO)C(=C)C 	 InChI=1S/C9H14O4/c1-7(2)8(5-6-10)3-4-9(11)13-12/h6,8,12H,1,3-5H2,2H3 	 186.2051 
 C4H6 	 C=CC=C 	 InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2 	 54.0904 
 C810O2 	 O=CCC(CC=O)C(C)(C)O[O] 	 InChI=1S/C8H13O4/c1-8(2,12-11)7(3-5-9)4-6-10/h5-7H,3-4H2,1-2H3 	 173.1864 
 C141O2 	 [O]OCCC(=C)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C14H23O3/c1-10(7-8-17-16)12-9-14(3,4)13(12)6-5-11(2)15/h12-13H,1,5-9H2,2-4H3 	 239.3306 
 C710O 	 CCC(C)([O])CC(=O)C 	 InChI=1S/C7H13O2/c1-4-7(3,9)5-6(2)8/h4-5H2,1-3H3 	 129.1769 
 IBUTALBO2 	 CC(CO[O])C=O 	 InChI=1S/C4H7O3/c1-4(2-5)3-7-6/h2,4H,3H2,1H3 	 103.0966 
 C618O 	 O=CCC(=O)C(C)(C)[O] 	 InChI=1S/C6H9O3/c1-6(2,9)5(8)3-4-7/h4H,3H2,1-2H3 	 129.1339 
 DIBRETOH 	 BrCC(O)Br 	 InChI=1S/C2H4Br2O/c3-1-2(4)5/h2,5H,1H2 	 203.8606 
 CHOC2H4O2 	 [O]OCCC=O 	 InChI=1S/C3H5O3/c4-2-1-3-6-5/h2H,1,3H2 	 89.0700 
 BUTALO2 	 CC(CC=O)O[O] 	 InChI=1S/C4H7O3/c1-4(7-6)2-3-5/h3-4H,2H2,1H3 	 103.0966 
 CO235C6OOH 	 CC(=O)C(=O)CC(=O)COO 	 InChI=1S/C6H8O5/c1-4(7)6(9)2-5(8)3-11-10/h10H,2-3H2,1H3 	 160.1247 
 DMEBMUO2H 	 CC(=CC(=O)CC)C1OC1(C)C(=O)O 	 InChI=1S/C10H14O4/c1-4-7(11)5-6(2)8-10(3,14-8)9(12)13/h5,8H,4H2,1-3H3,(H,12,13) 	 198.2158 
 C5MEJCO3H 	 O=CC(O)C(=O)C(=C(C)C(=O)OO)CC 	 InChI=1S/C9H12O6/c1-3-6(5(2)9(13)15-14)8(12)7(11)4-10/h4,7,11,14H,3H2,1-2H3 	 216.1880 
 CO14O3CO2H 	 O=CCOC(=O)C(=O)O 	 InChI=1S/C4H4O5/c5-1-2-9-4(8)3(6)7/h1H,2H2,(H,6,7) 	 132.0716 
 HM23C4NO3 	 OCC(C)C(C)CON(=O)=O 	 InChI=1S/C6H13NO4/c1-5(3-8)6(2)4-11-7(9)10/h5-6,8H,3-4H2,1-2H3 	 163.1717 
 C148OH 	 O=CCC(O)C(=O)C1CC(C)(C)C1CCC(=O)OC 	 InChI=1S/C14H22O5/c1-14(2)8-9(13(18)11(16)6-7-15)10(14)4-5-12(17)19-3/h7,9-11,16H,4-6,8H2,1-3H3 	 270.1467 
 C106O 	 O=CCC(=O)CC(C(=O)C)C(C)(C)[O] 	 InChI=1S/C10H15O4/c1-7(12)9(10(2,3)14)6-8(13)4-5-11/h5,9H,4,6H2,1-3H3 	 199.2237 
 COCCOHCOOH 	 OOC(C=O)C(C)O 	 InChI=1S/C4H8O4/c1-3(6)4(2-5)8-7/h2-4,6-7H,1H3 	 120.1039 
 H2M3C4NO3 	 O=N(=O)OCC(C)C(C)O 	 InChI=1S/C5H11NO4/c1-4(5(2)7)3-10-6(8)9/h4-5,7H,3H2,1-2H3 	 149.1451 
 CLCOCLMOOH 	 CC(Cl)(OO)C(=O)Cl 	 InChI=1S/C3H4Cl2O3/c1-3(5,8-7)2(4)6/h7H,1H3 	 158.9681 
 CO24C4CHO 	 O=CC(=O)CC(=O)C 	 InChI=1S/C5H6O3/c1-4(7)2-5(8)3-6/h3H,2H2,1H3 	 114.0993 
 HO2CO4C5O 	 [O]CC(=O)CC(C)O 	 InChI=1S/C5H9O3/c1-4(7)2-5(8)3-6/h4,7H,2-3H2,1H3 	 117.1232 
 MXY1OHNO2 	 Cc1cc(C)c(O)c(c1)N(=O)=O 	 InChI=1S/C8H9NO3/c1-5-3-6(2)8(10)7(4-5)9(11)12/h3-4,10H,1-2H3 	 167.1620 
 C148O2 	 O=CCC(O[O])C(=O)C1CC(C)(C)C1CCC(=O)OC 	 InChI=1S/C14H21O6/c1-14(2)8-9(10(14)4-5-12(16)19-3)13(17)11(20-18)6-7-15/h7,9-11H,4-6,8H2,1-3H3 	 285.3129 
 C1211CO3H 	 OOC(=O)CCC(=O)C1CC(C)(C)C1CCC(=O)O 	 InChI=1S/C13H20O6/c1-13(2)7-8(9(13)3-5-11(15)16)10(14)4-6-12(17)19-18/h8-9,18H,3-7H2,1-2H3,(H,15,16) 	 272.2943 
 C5M2OHOPAN 	 O=CC(O)C(=O)C(=C(C)C(=O)OON(=O)=O)C 	 InChI=1S/C8H9NO8/c1-4(7(12)6(11)3-10)5(2)8(13)16-17-9(14)15/h3,6,11H,1-2H3 	 247.1590 
 C4H9CHO 	 CCCCC=O 	 InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3 	 86.1323 
 HEX2ONE 	 CCCCC(=O)C 	 InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3 	 100.1589 
 INAHCHO 	 O=CC(C)(O)C(O)CON(=O)=O 	 InChI=1S/C5H9NO6/c1-5(9,3-7)4(8)2-12-6(10)11/h3-4,8-9H,2H2,1H3 	 179.1281 
 IPROPOLO 	 [O]CC(C)O 	 InChI=1S/C3H7O2/c1-3(5)2-4/h3,5H,2H2,1H3 	 75.0865 
 C6H5CH2OOH 	 OOCc1ccccc1 	 InChI=1S/C7H8O2/c8-9-6-7-4-2-1-3-5-7/h1-5,8H,6H2 	 124.1372 
 C118NO3 	 OCCC(=O)C(=O)CC(C)(C)C(CC=O)O[N+](=O)[O-] 	 InChI=1S/C11H17NO7/c1-11(2,7-9(16)8(15)3-5-13)10(4-6-14)19-12(17)18/h6,10,13H,3-5,7H2,1-2H3 	 275.2552 
 C624OH 	 CC(=C)C(O)CCO 	 InChI=1S/C6H12O2/c1-5(2)6(8)3-4-7/h6-8H,1,3-4H2,2H3 	 116.1583 
 IPCATEC1O2 	 [O]Oc1c(O)cccc1C(C)C 	 InChI=1S/C9H11O3/c1-6(2)7-4-3-5-8(10)9(7)12-11/h3-6,10H,1-2H3 	 167.1818 
 OXYMUCCO2H 	 O=CC=CC1(C)OC1(C)C(=O)O 	 InChI=1S/C8H10O4/c1-7(4-3-5-9)8(2,12-7)6(10)11/h3-5H,1-2H3,(H,10,11) 	 170.1626 
 SBUACETBO 	 CC(=O)OC(C)C(C)[O] 	 InChI=1S/C6H11O3/c1-4(7)5(2)9-6(3)8/h4-5H,1-3H3 	 131.1497 
 PRCOFOROOH 	 CC(CC(=O)OC=O)OO 	 InChI=1S/C5H8O5/c1-4(10-8)2-5(7)9-3-6/h3-4,8H,2H2,1H3 	 148.1140 
 HM22C4O2 	 [O]OCCC(C)(C)CO 	 InChI=1S/C6H13O3/c1-6(2,5-7)3-4-9-8/h7H,3-5H2,1-2H3 	 133.1656 
 C615CO 	 O=CC(=O)C(C)(C)C=O 	 InChI=1S/C6H8O3/c1-6(2,4-8)5(9)3-7/h3-4H,1-2H3 	 128.1259 
 C6HO1CO3O 	 OCCC(=O)C([O])CC 	 InChI=1S/C6H11O3/c1-2-5(8)6(9)3-4-7/h5,7H,2-4H2,1H3 	 131.1497 
 OETLMUCCO 	 O=CC(=O)C(O)C1(C)OC1(CC)C=O 	 InChI=1S/C9H12O5/c1-3-9(5-11)8(2,14-9)7(13)6(12)4-10/h4-5,7,13H,3H2,1-2H3 	 200.1886 
 C58OOH 	 O=CC(O)C(C)(CO)OO 	 InChI=1S/C5H10O5/c1-5(3-7,10-9)4(8)2-6/h2,4,7-9H,3H2,1H3 	 150.1299 
 DNPBNZLO2 	 CCCC12OOC(C=C(N(=O)=O)C2(O)O[O])(N(=O)=O)C1O 	 InChI=1S/C9H11N2O10/c1-2-3-7-6(12)8(11(16)17,21-20-7)4-5(10(14)15)9(7,13)19-18/h4,6,12-13H,2-3H2,1H3 	 307.1910 
 NC3CO3H 	 OOC(=O)C=CCON(=O)=O 	 InChI=1S/C4H5NO6/c6-4(11-9)2-1-3-10-5(7)8/h1-2,9H,3H2 	 163.0856 
 TM123BPNO3 	 O=N(=O)OC1C=CC2(C)OOC1(C)C2(C)O 	 InChI=1S/C9H13NO6/c1-7-5-4-6(14-10(12)13)8(2,16-15-7)9(7,3)11/h4-6,11H,1-3H3 	 231.2026 
 TM135OLO 	 OC1C2(C)OOC1(C)C([O])(O)C(=C2)C 	 InChI=1S/C9H13O5/c1-5-4-7(2)6(10)8(3,14-13-7)9(5,11)12/h4,6,10-11H,1-3H3 	 201.1965 
 INB1GLYOX 	 O=CC(=O)C(C)(CO)ON(=O)=O 	 InChI=1S/C5H7NO6/c1-5(3-8,4(9)2-7)12-6(10)11/h2,8H,3H2,1H3 	 177.1122 
 NBPINAO 	 O=N(=O)OCC1([O])CCC2CC1C2(C)C 	 InChI=1S/C10H16NO4/c1-9(2)7-3-4-10(12,8(9)5-7)6-15-11(13)14/h7-8H,3-6H2,1-2H3 	 214.2383 
 IPRFORMO2 	 O=COC(C)(C)O[O] 	 InChI=1S/C4H7O4/c1-4(2,8-6)7-3-5/h3H,1-2H3 	 119.0960 
 C517NO3 	 OCC(CO[N+](=O)[O-])C(=O)C 	 InChI=1S/C5H9NO5/c1-4(8)5(2-7)3-11-6(9)10/h5,7H,2-3H2,1H3 	 163.1287 
 IPRFORMOH 	 O=COC(C)(C)O 	 InChI=1S/C4H8O3/c1-4(2,6)7-3-5/h3,6H,1-2H3 	 104.1045 
 C6HO1CO3O2 	 OCCC(=O)C(CC)O[O] 	 InChI=1S/C6H11O4/c1-2-6(10-9)5(8)3-4-7/h6-7H,2-4H2,1H3 	 147.1491 
 C928PAN 	 CC(=O)CCC(=O)C(C)(C)CC(=O)OO[N+](=O)[O-] 	 InChI=1S/C10H15NO7/c1-7(12)4-5-8(13)10(2,3)6-9(14)17-18-11(15)16/h4-6H2,1-3H3 	 261.2286 
 C926OOH 	 O=CCC(OO)(CCC(=O)C)C(=O)C 	 InChI=1S/C9H14O5/c1-7(11)3-4-9(14-13,5-6-10)8(2)12/h6,13H,3-5H2,1-2H3 	 202.2045 
 CH3CHO 	 CC=O 	 InChI=1S/C2H4O/c1-2-3/h2H,1H3 	 44.0526 
 DMEBMUNO3 	 CCC(=O)C(O)C(C)(ON(=O)=O)C1OC1(C)C=O 	 InChI=1S/C10H15NO7/c1-4-6(13)7(14)10(3,18-11(15)16)8-9(2,5-12)17-8/h5,7-8,14H,4H2,1-3H3 	 261.2286 
 C511CHO 	 O=CCC(C=O)C(=O)C 	 InChI=1S/C6H8O3/c1-5(9)6(4-8)2-3-7/h3-4,6H,2H2,1H3 	 128.1259 
 NMXYQO 	 O=N(=O)OC1C(=O)C=C(C)C(=O)C1(C)[O] 	 InChI=1S/C8H8NO6/c1-4-3-5(10)7(15-9(13)14)8(2,12)6(4)11/h3,7H,1-2H3 	 214.1522 
 DMEPHOLO 	 CCC12OOC(C)(C=C(C)C2([O])O)C1O 	 InChI=1S/C10H15O5/c1-4-9-7(11)8(3,14-15-9)5-6(2)10(9,12)13/h5,7,11-12H,4H2,1-3H3 	 215.2231 
 C7CO2M5OOH 	 OOC(C)(C=CC(=O)C)C(=O)C 	 InChI=1S/C8H12O4/c1-6(9)4-5-8(3,12-11)7(2)10/h4-5,11H,1-3H3 	 172.1785 
 C9DCNO3 	 O=N(=O)OC1C2C(=O)CC(=O)C1C2(C)C 	 InChI=1S/C9H11NO5/c1-9(2)6-4(11)3-5(12)7(9)8(6)15-10(13)14/h6-8H,3H2,1-2H3 	 213.1873 
 C624O2 	 OCCC(O[O])C(=C)C 	 InChI=1S/C6H11O3/c1-5(2)6(9-8)3-4-7/h6-7H,1,3-4H2,2H3 	 131.1497 
 PINAL 	 O=CCC1CC(C(=O)C)C1(C)C 	 InChI=1S/C10H16O2/c1-7(12)9-6-8(4-5-11)10(9,2)3/h5,8-9H,4,6H2,1-3H3 	 168.2328 
 C1212NO3 	 OCCC(=O)C1(OO[N+](=O)[O-])CC(C)(C)C1CCC(=O)O 	 InChI=1S/C12H19NO8/c1-11(2)7-12(9(15)5-6-14,20-21-13(18)19)8(11)3-4-10(16)17/h8,14H,3-7H2,1-2H3,(H,16,17) 	 305.2812 
 C922OOH 	 OCC(=O)C(=O)CC(CO)C(C)(C)OO 	 InChI=1S/C9H16O6/c1-9(2,15-14)6(4-10)3-7(12)8(13)5-11/h6,10-11,14H,3-5H2,1-2H3 	 220.2197 
 EOCOCH2OOH 	 CCOC(=O)COO 	 InChI=1S/C4H8O4/c1-2-7-4(5)3-8-6/h6H,2-3H2,1H3 	 120.1039 
 PGLOO 	 [O-][O+]=CC(=O)CCC 	 InChI=1S/C5H8O3/c1-2-3-5(6)4-8-7/h4H,2-3H2,1H3 	 116.1152 
 C6PAN2 	 CCC(=O)CCC(=O)OON(=O)=O 	 InChI=1S/C6H9NO6/c1-2-5(8)3-4-6(9)12-13-7(10)11/h2-4H2,1H3 	 191.1388 
 C6PAN3 	 CCCC(C)C(=O)OON(=O)=O 	 InChI=1S/C6H11NO5/c1-3-4-5(2)6(8)11-12-7(9)10/h5H,3-4H2,1-2H3 	 177.1552 
 C6PAN1 	 CCC(O)CCC(=O)OON(=O)=O 	 InChI=1S/C6H11NO6/c1-2-5(8)3-4-6(9)12-13-7(10)11/h5,8H,2-4H2,1H3 	 193.1546 
 C6PAN6 	 CCC(=O)C(C)C(=O)OON(=O)=O 	 InChI=1S/C6H9NO6/c1-3-5(8)4(2)6(9)12-13-7(10)11/h4H,3H2,1-2H3 	 191.1388 
 C6PAN7 	 O=N(=O)OOC(=O)C(C)C(=O)C(=O)C 	 InChI=1S/C6H7NO7/c1-3(5(9)4(2)8)6(10)13-14-7(11)12/h3H,1-2H3 	 205.1223 
 C6PAN4 	 CC(O)CC(C)C(=O)OON(=O)=O 	 InChI=1S/C6H11NO6/c1-4(3-5(2)8)6(9)12-13-7(10)11/h4-5,8H,3H2,1-2H3 	 193.1546 
 C622CO2H 	 OCC(CC(=O)O)C(=C)C 	 InChI=1S/C7H12O3/c1-5(2)6(4-8)3-7(9)10/h6,8H,1,3-4H2,2H3,(H,9,10) 	 144.1684 
 C1212OH 	 OCCC(=O)C1(O)CC(C)(C)C1CCC(=O)O 	 InChI=1S/C12H20O5/c1-11(2)7-12(17,9(14)5-6-13)8(11)3-4-10(15)16/h8,13,17H,3-7H2,1-2H3,(H,15,16) 	 244.2842 
 C6PAN8 	 O=C(OON(=O)=O)CCC(C)(C)O 	 InChI=1S/C6H11NO6/c1-6(2,9)4-3-5(8)12-13-7(10)11/h9H,3-4H2,1-2H3 	 193.1546 
 C6PAN9 	 O=N(=O)OOC(=O)CC(=O)C(C)(C)O 	 InChI=1S/C6H9NO7/c1-6(2,10)4(8)3-5(9)13-14-7(11)12/h10H,3H2,1-2H3 	 207.1382 
 PROLNO3 	 CC(O)CON(=O)=O 	 InChI=1S/C3H7NO4/c1-3(5)2-8-4(6)7/h3,5H,2H2,1H3 	 121.0920 
 BUT2OL 	 CCC(C)O 	 InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3 	 74.1216 
 C6EO2HCO3H 	 CCC(=CC(=O)C(O)C(=O)C)C(=O)OO 	 InChI=1S/C9H12O6/c1-3-6(9(13)15-14)4-7(11)8(12)5(2)10/h4,8,12,14H,3H2,1-2H3 	 216.1880 
 NDNPBNZLO2 	 CCCC12OOC(C=C(N(=O)=O)C2(O)O[O])(N(=O)=O)C1ON(=O)=O 	 InChI=1S/C9H10N3O12/c1-2-3-7-6(21-12(18)19)8(11(16)17,24-23-7)4-5(10(14)15)9(7,13)22-20/h4,6,13H,2-3H2,1H3 	 352.1886 
 C4NO3CO3 	 CCCC(ON(=O)=O)C(=O)O[O] 	 InChI=1S/C5H8NO6/c1-2-3-4(5(7)12-10)11-6(8)9/h4H,2-3H2,1H3 	 178.1201 
 C54CHO 	 CC(CCC)C=O 	 InChI=1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3 	 100.1589 
 MGLOOA 	 [O-][O+]=CC(=O)C 	 InChI=1S/C3H4O3/c1-3(4)2-6-5/h2H,1H3 	 88.0621 
 MGLOOB 	 [O-][O+]=CC(=O)C 	 InChI=1S/C3H4O3/c1-3(4)2-6-5/h2H,1H3 	 88.0621 
 MGLOOC 	 [O-][O+]=CC(=O)C 	 InChI=1S/C3H4O3/c1-3(4)2-6-5/h2H,1H3 	 88.0621 
 C1212O2 	 OCCC(=O)C1(O[O])CC(C)(C)C1CCC(=O)O 	 InChI=1S/C12H19O6/c1-11(2)7-12(18-17,9(14)5-6-13)8(11)3-4-10(15)16/h8,13H,3-7H2,1-2H3,(H,15,16) 	 259.2757 
 C5COHOCO3H 	 OOC(=O)C(C)(O)C(=O)C(=O)C 	 InChI=1S/C6H8O6/c1-3(7)4(8)6(2,10)5(9)12-11/h10-11H,1-2H3 	 176.1241 
 NPXYFUO 	 O=N(=O)OC1COC(=O)C1(C)[O] 	 InChI=1S/C5H6NO6/c1-5(8)3(12-6(9)10)2-11-4(5)7/h3H,2H2,1H3 	 176.1042 
 MVK 	 CC(=O)C=C 	 InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3 	 70.0898 
 ACLOO 	 [O-][O+]=C(C)CO 	 InChI=1S/C3H6O3/c1-3(2-4)6-5/h4H,2H2,1H3 	 90.0779 
 NMEBFUOOH 	 CCC1OC(=O)C(C)(OO)C1ON(=O)=O 	 InChI=1S/C7H11NO7/c1-3-4-5(14-8(10)11)7(2,15-12)6(9)13-4/h4-5,12H,3H2,1-2H3 	 221.1647 
 NBUACANO3 	 CC(=O)OCCC(C)ON(=O)=O 	 InChI=1S/C6H11NO5/c1-5(12-7(9)10)3-4-11-6(2)8/h5H,3-4H2,1-2H3 	 177.1552 
 HO2C54CO3H 	 OOC(=O)C(C)CC(C)O 	 InChI=1S/C6H12O4/c1-4(3-5(2)7)6(8)10-9/h4-5,7,9H,3H2,1-2H3 	 148.1571 
 HEX2ONAOOH 	 CCC(OO)CC(=O)C 	 InChI=1S/C6H12O3/c1-3-6(9-8)4-5(2)7/h6,8H,3-4H2,1-2H3 	 132.1577 
 C61CHO 	 CCCC(=O)C(=O)C(O)C=O 	 InChI=1S/C7H10O4/c1-2-3-5(9)7(11)6(10)4-8/h4,6,10H,2-3H2,1H3 	 158.1519 
 LMKAO2 	 [O]OC1(C)CCC(CC1O)C(=O)C 	 InChI=1S/C9H15O4/c1-6(10)7-3-4-9(2,13-12)8(11)5-7/h7-8,11H,3-5H2,1-2H3 	 187.2130 
 C927O2 	 OCCC(=C)C(=O)CC(C)(C)O[O] 	 InChI=1S/C9H15O4/c1-7(4-5-10)8(11)6-9(2,3)13-12/h10H,1,4-6H2,2-3H3 	 187.2130 
 NPXYOL1OOH 	 OOc1c(C)ccc(C)c1N(=O)=O 	 InChI=1S/C8H9NO4/c1-5-3-4-6(2)8(13-12)7(5)9(10)11/h3-4,12H,1-2H3 	 183.1614 
 C8O2OHCO3H 	 OOC(=O)C=C(C(C)C)C(=O)C(O)C=O 	 InChI=1S/C9H12O6/c1-5(2)6(3-8(12)15-14)9(13)7(11)4-10/h3-5,7,11,14H,1-2H3 	 216.1880 
 C65O 	 O=CC(C)([O])CC(=O)C 	 InChI=1S/C6H9O3/c1-5(8)3-6(2,9)4-7/h4H,3H2,1-2H3 	 129.1339 
 HO13C5 	 OCCC(O)CC 	 InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3 	 104.1476 
 C3MCODBCO3 	 [O]OC(=O)C=C(C)C=O 	 InChI=1S/C5H5O4/c1-4(3-6)2-5(7)9-8/h2-3H,1H3 	 129.0908 
 C3MCODBCO2 	 O=CC(=CC(=O)[O])C 	 InChI=1S/C5H5O3/c1-4(3-6)2-5(7)8/h2-3H,1H3 	 113.0914 
 H2M2C3CO3H 	 OOC(=O)CC(C)(C)O 	 InChI=1S/C5H10O4/c1-5(2,7)3-4(6)9-8/h7-8H,3H2,1-2H3 	 134.1305 
 IPROMCPAN 	 O=N(=O)OOC(=O)C(C)OC(C)C 	 InChI=1S/C6H11NO6/c1-4(2)11-5(3)6(8)12-13-7(9)10/h4-5H,1-3H3 	 193.1546 
 C91OOH 	 CCCCC(OO)CC(=O)CC 	 InChI=1S/C9H18O3/c1-3-5-6-9(12-11)7-8(10)4-2/h9,11H,3-7H2,1-2H3 	 174.2374 
 MTBEBO 	 [O]CC(C)(C)OC 	 InChI=1S/C5H11O2/c1-5(2,4-6)7-3/h4H2,1-3H3 	 103.1396 
 NBUACETBO2 	 CCC(O[O])COC(=O)C 	 InChI=1S/C6H11O4/c1-3-6(10-8)4-9-5(2)7/h6H,3-4H2,1-2H3 	 147.1491 
 C1311OH 	 O=CCCC(=C)C1(O)CC(C)(C)C1CCO 	 InChI=1S/C13H22O3/c1-10(5-4-7-14)13(16)9-12(2,3)11(13)6-8-15/h7,11,15-16H,1,4-6,8-9H2,2-3H3 	 226.3120 
 M3PEANO3 	 CCC(C)CCON(=O)=O 	 InChI=1S/C6H13NO3/c1-3-6(2)4-5-10-7(8)9/h6H,3-5H2,1-2H3 	 147.1723 
 BOXMCO3H 	 CCCCOCC(=O)OO 	 InChI=1S/C6H12O4/c1-2-3-4-9-5-6(7)10-8/h8H,2-5H2,1H3 	 148.1571 
 BOXOHPROL 	 CCCC(O)OCC(C)O 	 InChI=1S/C7H16O3/c1-3-4-7(9)10-5-6(2)8/h6-9H,3-5H2,1-2H3 	 148.2001 
 C1311O2 	 O=CCCC(=C)C1(O[O])CC(C)(C)C1CCO 	 InChI=1S/C13H21O4/c1-10(5-4-7-14)13(17-16)9-12(2,3)11(13)6-8-15/h7,11,15H,1,4-6,8-9H2,2-3H3 	 241.3034 
 INANCOCO3H 	 OOC(=O)C(C)(ON(=O)=O)C(=O)CON(=O)=O 	 InChI=1S/C5H6N2O10/c1-5(4(9)16-14,17-7(12)13)3(8)2-15-6(10)11/h14H,2H2,1H3 	 254.1085 
 BCALACO 	 O=CCCC(=C)C1CC(C)(C)C1CC(=O)C(=O)C 	 InChI=1S/C15H22O3/c1-10(6-5-7-16)12-9-15(3,4)13(12)8-14(18)11(2)17/h7,12-13H,1,5-6,8-9H2,2-4H3 	 250.3334 
 C4CHO2O 	 CCCC([O])C=O 	 InChI=1S/C5H9O2/c1-2-3-5(7)4-6/h4-5H,2-3H2,1H3 	 101.1238 
 C125O2 	 CCCCCCC(=O)C(=O)C(O[O])C(=O)CC 	 InChI=1S/C12H19O5/c1-3-5-6-7-8-10(14)11(15)12(17-16)9(13)4-2/h12H,3-8H2,1-2H3 	 243.2763 
 COCCOH2CO2 	 [O]OC(C=O)C(C)O 	 InChI=1S/C4H7O4/c1-3(6)4(2-5)8-7/h2-4,6H,1H3 	 119.0960 
 EPXMKTCO3H 	 CC1(OC1C(=O)C)C(=O)OO 	 InChI=1S/C6H8O5/c1-3(7)4-6(2,10-4)5(8)11-9/h4,9H,1-2H3 	 160.1247 
 C615CO3 	 [O]OC(=O)C(C=O)C(C)(C)C=O 	 InChI=1S/C7H9O5/c1-7(2,4-9)5(3-8)6(10)12-11/h3-5H,1-2H3 	 173.1434 
 C2H5MECOOA 	 [O-][O+]=C(C)CC 	 InChI=1S/C4H8O2/c1-3-4(2)6-5/h3H2,1-2H3 	 88.1051 
 ACBUONANO3 	 CC(=O)CC(OC(=O)C)ON(=O)=O 	 InChI=1S/C6H9NO6/c1-4(8)3-6(12-5(2)9)13-7(10)11/h6H,3H2,1-2H3 	 191.1388 
 C623OOH 	 OCC(C=O)C(C)(CO)OO 	 InChI=1S/C6H12O5/c1-6(4-9,11-10)5(2-7)3-8/h2,5,8-10H,3-4H2,1H3 	 164.1565 
 C519CO3H 	 OCCC(C(=O)C)C(=O)OO 	 InChI=1S/C6H10O5/c1-4(8)5(2-3-7)6(9)11-10/h5,7,10H,2-3H2,1H3 	 162.1406 
 H2M2C65O 	 CC([O])CCC(C)(C)O 	 InChI=1S/C7H15O2/c1-6(8)4-5-7(2,3)9/h6,9H,4-5H2,1-3H3 	 131.1928 
 LMKAOH 	 CC(=O)C1CCC(C)(O)C(O)C1 	 InChI=1S/C9H16O3/c1-6(10)7-3-4-9(2,12)8(11)5-7/h7-8,11-12H,3-5H2,1-2H3 	 172.2215 
 EPXMEDCO2H 	 CCC1(C=O)OC1(C)C(=O)O 	 InChI=1S/C7H10O4/c1-3-7(4-8)6(2,11-7)5(9)10/h4H,3H2,1-2H3,(H,9,10) 	 158.1519 
 CH3CHOOA 	 [O-][O+]=CC 	 InChI=1S/C2H4O2/c1-2-4-3/h2H,1H3 	 60.0520 
 CH3CHOOC 	 [O-][O+]=CC 	 InChI=1S/C2H4O2/c1-2-4-3/h2H,1H3 	 60.0520 
 CH3CHOOB 	 [O-][O+]=CC 	 InChI=1S/C2H4O2/c1-2-4-3/h2H,1H3 	 60.0520 
 DETLBPR2OH 	 CCC1=CC2(CC)OOC(C)(C1O)C2O 	 InChI=1S/C11H18O4/c1-4-7-6-11(5-2)9(13)10(3,8(7)12)14-15-11/h6,8-9,12-13H,4-5H2,1-3H3 	 214.2582 
 NPROACECO 	 CC(=O)OCCC[O] 	 InChI=1S/C5H9O3/c1-5(7)8-4-2-3-6/h2-4H2,1H3 	 117.1232 
 CO36C10 	 CCCCC(=O)CCC(=O)CC 	 InChI=1S/C10H18O2/c1-3-5-6-10(12)8-7-9(11)4-2/h3-8H2,1-2H3 	 170.2487 
 HCOCO3 	 [O]OC(=O)C=O 	 InChI=1S/C2HO4/c3-1-2(4)6-5/h1H 	 89.0269 
 CO36C12 	 CCCCCCC(=O)CCC(=O)CC 	 InChI=1S/C12H22O2/c1-3-5-6-7-8-12(14)10-9-11(13)4-2/h3-10H2,1-2H3 	 198.3019 
 H2M2C65NO3 	 O=N(=O)OC(C)CCC(C)(C)O 	 InChI=1S/C7H15NO4/c1-6(12-8(10)11)4-5-7(2,3)9/h6,9H,4-5H2,1-3H3 	 177.1983 
 IPBZBIPRO 	 [O]C1C=CC2(OOC1C2O)C(C)C 	 InChI=1S/C9H13O4/c1-5(2)9-4-3-6(10)7(8(9)11)12-13-9/h3-8,11H,1-2H3 	 185.1971 
 HO8C9OOH 	 CCCCCCCC(O)COO 	 InChI=1S/C9H20O3/c1-2-3-4-5-6-7-9(10)8-12-11/h9-11H,2-8H2,1H3 	 176.2533 
 BPINCNO3 	 OCC1=CCC(CC1)C(C)(C)ON(=O)=O 	 InChI=1S/C10H17NO4/c1-10(2,15-11(13)14)9-5-3-8(7-12)4-6-9/h3,9,12H,4-7H2,1-2H3 	 215.2463 
 IPROC21OOH 	 OOC(C)OC(C)C 	 InChI=1S/C5H12O3/c1-4(2)7-5(3)8-6/h4-6H,1-3H3 	 120.1470 
 IPRACBCO3H 	 CC(OC(=O)C)C(=O)OO 	 InChI=1S/C5H8O5/c1-3(5(7)10-8)9-4(2)6/h3,8H,1-2H3 	 148.1140 
 HCOCO2H 	 O=CC(=O)O 	 InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5) 	 74.0355 
 PBENZ 	 CCCc1ccccc1 	 InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3 	 120.1916 
 DETLMUCO2 	 CCC(=O)C(O)C(C)(O[O])C1OC1(CC)C=O 	 InChI=1S/C11H17O6/c1-4-7(13)8(14)10(3,17-15)9-11(5-2,6-12)16-9/h6,8-9,14H,4-5H2,1-3H3 	 245.2491 
 DETLMUCO3 	 CCC(=O)C=C(C)C1OC1(CC)C(=O)O[O] 	 InChI=1S/C11H15O5/c1-4-8(12)6-7(3)9-11(5-2,15-9)10(13)16-14/h6,9H,4-5H2,1-3H3 	 227.2338 
 NPXYOLOH 	 O=N(=O)OC1C2OOC1(C)C(O)(O)C=C2C 	 InChI=1S/C8H11NO7/c1-4-3-8(10,11)7(2)6(14-9(12)13)5(4)15-16-7/h3,5-6,10-11H,1-2H3 	 233.1754 
 CH3CHCLO2 	 CC(Cl)O[O] 	 InChI=1S/C2H4ClO2/c1-2(3)5-4/h2H,1H3 	 95.5050 
 HEX3ONAO2 	 CC(CC(=O)CC)O[O] 	 InChI=1S/C6H11O3/c1-3-6(7)4-5(2)9-8/h5H,3-4H2,1-2H3 	 131.1497 
 HIEB1OOH 	 OCC(O)C(CO)(OO)C=O 	 InChI=1S/C5H10O6/c6-1-4(9)5(2-7,3-8)11-10/h2,4,6,8-10H,1,3H2 	 166.1293 
 C822CO2 	 O=CCC(CCC(=O)[O])C(=C)C 	 InChI=1S/C9H13O3/c1-7(2)8(5-6-10)3-4-9(11)12/h6,8H,1,3-5H2,2H3 	 169.1977 
 C822CO3 	 O=CCC(CCC(=O)O[O])C(=C)C 	 InChI=1S/C9H13O4/c1-7(2)8(5-6-10)3-4-9(11)13-12/h6,8H,1,3-5H2,2H3 	 185.1971 
 TM135OLO2 	 [O]OC1(O)C(=CC2(C)OOC1(C)C2O)C 	 InChI=1S/C9H13O6/c1-5-4-7(2)6(10)8(3,15-14-7)9(5,11)13-12/h4,6,10-11H,1-3H3 	 217.1959 
 BCARY 	 C/C1=C/CCC(=C)C2CC(C)(C)C2CC\1 	 InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6- 	 204.3511 
 METACETOH 	 CC(=O)OCO 	 InChI=1S/C3H6O3/c1-3(5)6-2-4/h4H,2H2,1H3 	 90.0779 
 CLCOCL2OOH 	 OOC(Cl)(Cl)C(=O)Cl 	 InChI=1S/C2HCl3O3/c3-1(6)2(4,5)8-7/h7H 	 179.3865 
 C6OTKETO 	 [O]C(OC(=O)C(=O)C)C(=O)C 	 InChI=1S/C6H7O5/c1-3(7)5(9)11-6(10)4(2)8/h5H,1-2H3 	 159.1168 
 CONM2CHO 	 O=CC(C)(C=O)ON(=O)=O 	 InChI=1S/C4H5NO5/c1-4(2-6,3-7)10-5(8)9/h2-3H,1H3 	 147.0862 
 M3CO245C6 	 CC(=O)C(=O)C(C)C(=O)C 	 InChI=1S/C7H10O3/c1-4(5(2)8)7(10)6(3)9/h4H,1-3H3 	 142.1525 
 C929OOH 	 OOC(CC(=O)C)C(=O)C(C)(C)CO 	 InChI=1S/C9H16O5/c1-6(11)4-7(14-13)8(12)9(2,3)5-10/h7,10,13H,4-5H2,1-3H3 	 204.2203 
 C87O 	 [O]CC(=O)C(C=O)C(C)(C)C=O 	 InChI=1S/C8H11O4/c1-8(2,5-11)6(3-9)7(12)4-10/h3,5-6H,4H2,1-2H3 	 171.1705 
 HEX3ONAOH 	 CCC(=O)CC(C)O 	 InChI=1S/C6H12O2/c1-3-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3 	 116.1583 
 IECCO3 	 CC1(CO1)C(O)C(=O)O[O] 	 InChI=1S/C5H7O5/c1-5(2-9-5)3(6)4(7)10-8/h3,6H,2H2,1H3 	 147.1061 
 C826O 	 O=CCC(CC=O)C(C)([O])CO 	 InChI=1S/C8H13O4/c1-8(12,6-11)7(2-4-9)3-5-10/h4-5,7,11H,2-3,6H2,1H3 	 173.1864 
 BZEMUCCO3H 	 OOC(=O)C1OC1C=CC=O 	 InChI=1S/C6H6O5/c7-3-1-2-4-5(10-4)6(8)11-9/h1-5,9H 	 158.1088 
 CY6TRION 	 O=C1CC(=O)CC(=O)C1 	 InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3H2 	 126.1100 
 NPXYOLO2 	 [O]OC1(O)C=C(C)C2OOC1(C)C2ON(=O)=O 	 InChI=1S/C8H10NO8/c1-4-3-8(10,16-13)7(2)6(14-9(11)12)5(4)15-17-7/h3,5-6,10H,1-2H3 	 248.1669 
 HO3C76NO3 	 CCC(O)CCC(C)ON(=O)=O 	 InChI=1S/C7H15NO4/c1-3-7(9)5-4-6(2)12-8(10)11/h6-7,9H,3-5H2,1-2H3 	 177.1983 
 OXYMUCNO3 	 O=CC(ON(=O)=O)C(O)C1(C)OC1(C)C=O 	 InChI=1S/C8H11NO7/c1-7(4-11)8(2,16-7)6(12)5(3-10)15-9(13)14/h3-6,12H,1-2H3 	 233.1754 
 CHOOMCO2H 	 O=COCC(O)O 	 InChI=1S/C3H6O4/c4-2-7-1-3(5)6/h2-3,5-6H,1H2 	 105.0694 
 OXNNCATCO 	 O=N(=O)OC1C2(C)OOC1(N(=O)=O)C([O])(O)C(=C2C)O 	 InChI=1S/C8H9N2O10/c1-3-4(11)8(12,13)7(9(14)15)5(18-10(16)17)6(3,2)19-20-7/h5,11-12H,1-2H3 	 293.1645 
 NDNPXYLOOH 	 OOC1(O)C(=C(C)C2(OOC1(C)C2ON(=O)=O)N(=O)=O)N(=O)=O 	 InChI=1S/C8H9N3O12/c1-3-4(9(13)14)8(12,21-19)6(2)5(20-11(17)18)7(3,10(15)16)23-22-6/h5,12,19H,1-2H3 	 339.1700 
 C7CO2OHPAN 	 O=N(=O)OOC(=O)C(=CC(=O)C(O)C(=O)C)C 	 InChI=1S/C8H9NO8/c1-4(8(13)16-17-9(14)15)3-6(11)7(12)5(2)10/h3,7,12H,1-2H3 	 247.1590 
 DMMAOH 	 COCOCO 	 InChI=1S/C3H8O3/c1-5-3-6-2-4/h4H,2-3H2,1H3 	 92.0938 
 C731O2 	 [O]OCCC(CC=O)C(=O)C 	 InChI=1S/C7H11O4/c1-6(9)7(2-4-8)3-5-11-10/h4,7H,2-3,5H2,1H3 	 159.1598 
 ETHOXO2 	 [O]OC1CO1 	 InChI=1S/C2H3O3/c3-5-2-1-4-2/h2H,1H2 	 75.0434 
 HO5C6CO3 	 CCCCC(O)CC(=O)O[O] 	 InChI=1S/C7H13O4/c1-2-3-4-6(8)5-7(9)11-10/h6,8H,2-5H2,1H3 	 161.1757 
 C62OOH 	 OOC(C(=O)C)C(=O)C(=O)C 	 InChI=1S/C6H8O5/c1-3(7)5(9)6(11-10)4(2)8/h6,10H,1-2H3 	 160.1247 
 LMLKET 	 O=CCC(CCC(=O)C)C(=O)C 	 InChI=1S/C9H14O3/c1-7(11)3-4-9(5-6-10)8(2)12/h6,9H,3-5H2,1-2H3 	 170.2057 
 PTNNCATOOH 	 OOC1(O)C(=C(C)C2(OOC1(CC)C2ON(=O)=O)N(=O)=O)O 	 InChI=1S/C9H12N2O11/c1-3-7-6(19-11(16)17)8(10(14)15,22-21-7)4(2)5(12)9(7,13)20-18/h6,12-13,18H,3H2,1-2H3 	 324.1984 
 PXY1OHNO2 	 Cc1ccc(C)c(N(=O)=O)c1O 	 InChI=1S/C8H9NO3/c1-5-3-4-6(2)8(10)7(5)9(11)12/h3-4,10H,1-2H3 	 167.1620 
 TL4ONO2OOH 	 OOC1(O)C(=CC2(C)OOC1C2O)N(=O)=O 	 InChI=1S/C7H9NO8/c1-6-2-3(8(11)12)7(10,15-13)5(4(6)9)14-16-6/h2,4-5,9-10,13H,1H3 	 235.1483 
 C731OH 	 OCCC(CC=O)C(=O)C 	 InChI=1S/C7H12O3/c1-6(10)7(2-4-8)3-5-9/h4,7,9H,2-3,5H2,1H3 	 144.1684 
 DMMAO2 	 COCOCO[O] 	 InChI=1S/C3H7O4/c1-5-2-6-3-7-4/h2-3H2,1H3 	 107.0853 
 C23O3ECOOH 	 CCC(OO)OC(=O)C(=O)C 	 InChI=1S/C6H10O5/c1-3-5(11-9)10-6(8)4(2)7/h5,9H,3H2,1-2H3 	 162.1406 
 PBZN 	 O=N(=O)OOC(=O)c1ccccc1 	 InChI=1S/C7H5NO5/c9-7(12-13-8(10)11)6-4-2-1-3-5-6/h1-5H 	 183.1183 
 NC4PDCO2 	 CCCC(=C(C=O)N(=O)=O)C(=O)[O] 	 InChI=1S/C7H8NO5/c1-2-3-5(7(10)11)6(4-9)8(12)13/h4H,2-3H2,1H3 	 186.1421 
 C831OOH 	 O=CCC(OO)C(C)(C)CC=O 	 InChI=1S/C8H14O4/c1-8(2,4-6-10)7(12-11)3-5-9/h5-7,11H,3-4H2,1-2H3 	 174.1944 
 MCATEC1OOH 	 OOc1c(C)cccc1O 	 InChI=1S/C7H8O3/c1-5-3-2-4-6(8)7(5)10-9/h2-4,8-9H,1H3 	 140.1366 
 APINBO 	 [O]C1CC2CC(C1(C)O)C2(C)C 	 InChI=1S/C10H17O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-8,12H,4-5H2,1-3H3 	 169.2408 
 OET1OHNO2 	 CCc1c(C)ccc(N(=O)=O)c1O 	 InChI=1S/C9H11NO3/c1-3-7-6(2)4-5-8(9(7)11)10(12)13/h4-5,11H,3H2,1-2H3 	 181.1885 
 BZBIPEROOH 	 OOC1C=CC2OOC1C2O 	 InChI=1S/C6H8O5/c7-5-3-1-2-4(9-8)6(5)11-10-3/h1-8H 	 160.1247 
 NCO23CHO 	 O=CC(=O)C(=O)CON(=O)=O 	 InChI=1S/C4H3NO6/c6-1-3(7)4(8)2-11-5(9)10/h1H,2H2 	 161.0697 
 OXYOLO 	 CC1=CC([O])(O)C2OOC1(C)C2O 	 InChI=1S/C8H11O5/c1-4-3-8(10,11)6-5(9)7(4,2)13-12-6/h3,5-6,9-10H,1-2H3 	 187.1699 
 C621O 	 OCC([O])CC(=O)C(=O)CO 	 InChI=1S/C6H9O5/c7-2-4(9)1-5(10)6(11)3-8/h4,7-8H,1-3H2 	 161.1327 
 PETLBIPRO2 	 [O]OC1(C)C=CC2(CC)OOC1C2O 	 InChI=1S/C9H13O5/c1-3-9-5-4-8(2,13-11)7(6(9)10)12-14-9/h4-7,10H,3H2,1-2H3 	 201.1965 
 METLQOOH 	 CCC1=CC(=O)C(O)C(C)(OO)C1=O 	 InChI=1S/C9H12O5/c1-3-5-4-6(10)8(12)9(2,14-13)7(5)11/h4,8,12-13H,3H2,1-2H3 	 200.1886 
 CO2C3CHO 	 O=CCC(=O)C 	 InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3 	 86.0892 
 MPRKAO2 	 CCC(O[O])C(=O)C 	 InChI=1S/C5H9O3/c1-3-5(8-7)4(2)6/h5H,3H2,1-2H3 	 117.1232 
 CH2CL3OOH 	 ClCC(Cl)(Cl)OO 	 InChI=1S/C2H3Cl3O2/c3-1-2(4,5)7-6/h6H,1H2 	 165.4030 
 C510OOH 	 O=CC(O)C(C)(OO)CON(=O)=O 	 InChI=1S/C5H9NO7/c1-5(13-11,4(8)2-7)3-12-6(9)10/h2,4,8,11H,3H2,1H3 	 195.1275 
 MPRKAOH 	 CCC(O)C(=O)C 	 InChI=1S/C5H10O2/c1-3-5(7)4(2)6/h5,7H,3H2,1-2H3 	 102.1317 
 NC6H14 	 CCCCCC 	 InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3 	 86.1754 
 C5H8 	 C=CC(=C)C 	 InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3 	 68.1170 
 C728OOH 	 O=CCC(CO)C(C)(CO)OO 	 InChI=1S/C7H14O5/c1-7(5-10,12-11)6(4-9)2-3-8/h3,6,9-11H,2,4-5H2,1H3 	 178.1831 
 MC6OTKETO 	 O=C(OC(C)([O])C(=O)C)C(=O)C 	 InChI=1S/C7H9O5/c1-4(8)6(10)12-7(3,11)5(2)9/h1-3H3 	 173.1434 
 IPNNCATCO 	 O=N(=O)OC1C2OOC1(C(C)C)C([O])(O)C(=C2N(=O)=O)O 	 InChI=1S/C9H11N2O10/c1-3(2)8-7(19-11(17)18)5(20-21-8)4(10(15)16)6(12)9(8,13)14/h3,5,7,12-13H,1-2H3 	 307.1910 
 INB1HPCO2H 	 OOC(C(=O)O)C(C)(CO)ON(=O)=O 	 InChI=1S/C5H9NO8/c1-5(2-7,14-6(10)11)3(13-12)4(8)9/h3,7,12H,2H2,1H3,(H,8,9) 	 211.1269 
 C1014CO 	 O=CCC(C)(C)C(=O)CCC(=O)OC 	 InChI=1S/C10H16O4/c1-10(2,6-7-11)8(12)4-5-9(13)14-3/h7H,4-6H2,1-3H3 	 200.2316 
 ACCOCOEOOH 	 OOC(C)C(=O)C(=O)OC(=O)C 	 InChI=1S/C6H8O6/c1-3(12-10)5(8)6(9)11-4(2)7/h3,10H,1-2H3 	 176.1241 
 IPROPOLO2 	 [O]OCC(C)O 	 InChI=1S/C3H7O3/c1-3(4)2-6-5/h3-4H,2H2,1H3 	 91.0859 
 CONM2PAN 	 O=CC(C)(ON(=O)=O)C(=O)OON(=O)=O 	 InChI=1S/C4H4N2O9/c1-4(2-7,14-5(9)10)3(8)13-15-6(11)12/h2H,1H3 	 224.0826 
 CO2M3C5OH 	 CC(CCO)C(=O)C 	 InChI=1S/C6H12O2/c1-5(3-4-7)6(2)8/h5,7H,3-4H2,1-2H3 	 116.1583 
 IPRBQOOH 	 OOC1C(=O)C=C(C(C)C)C(=O)C1O 	 InChI=1S/C9H12O5/c1-4(2)5-3-6(10)9(14-13)8(12)7(5)11/h3-4,8-9,12-13H,1-2H3 	 200.1886 
 CH2CLOOH 	 OOCCl 	 InChI=1S/CH3ClO2/c2-1-4-3/h3H,1H2 	 82.4863 
 T124NNCTO2 	 [O]OC1(O)C(=C(C)C2(OOC1(C)C2(C)ON(=O)=O)N(=O)=O)O 	 InChI=1S/C9H11N2O11/c1-4-5(12)9(13,20-18)7(3)6(2,19-11(16)17)8(4,10(14)15)22-21-7/h12-13H,1-3H3 	 323.1904 
 ACEPROPONE 	 CC(=O)OCC(=O)C 	 InChI=1S/C5H8O3/c1-4(6)3-8-5(2)7/h3H2,1-2H3 	 116.1152 
 DECOH 	 CCCCCCCC(O)CC 	 InChI=1S/C10H22O/c1-3-5-6-7-8-9-10(11)4-2/h10-11H,3-9H2,1-2H3 	 158.2811 
 CO23C54O2 	 CC(O[O])C(=O)C(=O)C 	 InChI=1S/C5H7O4/c1-3(6)5(7)4(2)9-8/h4H,1-2H3 	 131.1067 
 C736CO 	 O=CCCC(=C)C(=O)C=O 	 InChI=1S/C7H8O3/c1-6(3-2-4-8)7(10)5-9/h4-5H,1-3H2 	 140.1366 
 C3MNO3CO3 	 [O]OC(=O)C(ON(=O)=O)C(C)C 	 InChI=1S/C5H8NO6/c1-3(2)4(5(7)12-10)11-6(8)9/h3-4H,1-2H3 	 178.1201 
 PE2ENEAO2 	 CCC(O[O])C(C)O 	 InChI=1S/C5H11O3/c1-3-5(8-7)4(2)6/h4-6H,3H2,1-2H3 	 119.1390 
 M2BKBO 	 CCC(C)([O])C(=O)C 	 InChI=1S/C6H11O2/c1-4-6(3,8)5(2)7/h4H2,1-3H3 	 115.1503 
 C5124COOOH 	 OOCC(=O)CC(=O)C=O 	 InChI=1S/C5H6O5/c6-2-4(7)1-5(8)3-10-9/h2,9H,1,3H2 	 146.0981 
 MNCATECOOH 	 OOC1(O)C(=C(N(=O)=O)C2OOC1(C)C2O)O 	 InChI=1S/C7H9NO9/c1-6-5(10)3(15-17-6)2(8(12)13)4(9)7(6,11)16-14/h3,5,9-11,14H,1H3 	 251.1477 
 DEMPHOLO 	 CCC12OOC(CC)(C2O)C([O])(O)C(=C1)C 	 InChI=1S/C11H17O5/c1-4-9-6-7(3)11(13,14)10(5-2,8(9)12)16-15-9/h6,8,12-13H,4-5H2,1-3H3 	 229.2497 
 C57NO3CO3 	 OCC(O)C(C)(ON(=O)=O)C(=O)O[O] 	 InChI=1S/C5H8NO8/c1-5(3(8)2-7,4(9)13-12)14-6(10)11/h3,7-8H,2H2,1H3 	 210.1189 
 C822NO3 	 O=CCC(CCO[N+](=O)[O-])C(=C)C 	 InChI=1S/C8H13NO4/c1-7(2)8(3-5-10)4-6-13-9(11)12/h5,8H,1,3-4,6H2,2H3 	 187.1931 
 C116CO3H 	 O=CCC1C(CC1(C)C)C(=O)CCC(=O)OO 	 InChI=1S/C12H18O5/c1-12(2)7-8(9(12)5-6-13)10(14)3-4-11(15)17-16/h6,8-9,16H,3-5,7H2,1-2H3 	 242.2683 
 TM135MUOH 	 O=CC1(C)OC1C(C)(O)C(O)C(=O)C 	 InChI=1S/C9H14O5/c1-5(11)6(12)9(3,13)7-8(2,4-10)14-7/h4,6-7,12-13H,1-3H3 	 202.2045 
 DECO2 	 CCCCCCCC(CC)O[O] 	 InChI=1S/C10H21O2/c1-3-5-6-7-8-9-10(4-2)12-11/h10H,3-9H2,1-2H3 	 173.2725 
 NOXYFUO2 	 [O]OC1(C)C(=O)OCC1(C)ON(=O)=O 	 InChI=1S/C6H8NO7/c1-5(13-7(9)10)3-12-4(8)6(5,2)14-11/h3H2,1-2H3 	 206.1302 
 MEKBO2 	 CC(O[O])C(=O)C 	 InChI=1S/C4H7O3/c1-3(5)4(2)7-6/h4H,1-2H3 	 103.0966 
 HO2C43CO3 	 [O]OC(=O)C(C)C(C)O 	 InChI=1S/C5H9O4/c1-3(4(2)6)5(7)9-8/h3-4,6H,1-2H3 	 133.1226 
 TM124NOOH 	 OOC1(O)C=C(C)C2(C)OOC1(N(=O)=O)C2O 	 InChI=1S/C8H11NO8/c1-4-3-7(11,15-14)8(9(12)13)5(10)6(4,2)16-17-8/h3,5,10-11,14H,1-2H3 	 249.1748 
 M2PECOOH 	 CCC(OO)C(C)C 	 InChI=1S/C6H14O2/c1-4-6(8-7)5(2)3/h5-7H,4H2,1-3H3 	 118.1742 
 CRESOH 	 OC1C2OOC1(C)C=CC2(O)O 	 InChI=1S/C7H10O5/c1-6-2-3-7(9,10)5(4(6)8)11-12-6/h2-5,8-10H,1H3 	 174.1513 
 MTBEANO3 	 O=N(=O)OCOC(C)(C)C 	 InChI=1S/C5H11NO4/c1-5(2,3)9-4-10-6(7)8/h4H2,1-3H3 	 149.1451 
 CRESOL 	 Cc1ccccc1O 	 InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3 	 108.1378 
 HO1C5O2 	 OCCCC(C)O[O] 	 InChI=1S/C5H11O3/c1-5(8-7)3-2-4-6/h5-6H,2-4H2,1H3 	 119.1390 
 C7M2CO5OOH 	 OOC(C(=O)C)C(=CC(=O)C)C 	 InChI=1S/C8H12O4/c1-5(4-6(2)9)8(12-11)7(3)10/h4,8,11H,1-3H3 	 172.1785 
 C7CODBCO3 	 CCC(=O)C=C(CC)C(=O)O[O] 	 InChI=1S/C8H11O4/c1-3-6(8(10)12-11)5-7(9)4-2/h5H,3-4H2,1-2H3 	 171.1705 
 MXYL 	 Cc1cccc(C)c1 	 InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3 	 106.1650 
 TM124BOOH 	 OOCc1ccc(C)c(C)c1 	 InChI=1S/C9H12O2/c1-7-3-4-9(6-11-10)5-8(7)2/h3-5,10H,6H2,1-2H3 	 152.1904 
 CO2HO4C6 	 CCC(O)CC(=O)C 	 InChI=1S/C6H12O2/c1-3-6(8)4-5(2)7/h6,8H,3-4H2,1-2H3 	 116.1583 
 MPHCOMEOH 	 OCC(=O)c1ccccc1C 	 InChI=1S/C9H10O2/c1-7-4-2-3-5-8(7)9(11)6-10/h2-5,10H,6H2,1H3 	 150.1745 
 C710OOH 	 CCC(C)(OO)CC(=O)C 	 InChI=1S/C7H14O3/c1-4-7(3,10-9)5-6(2)8/h9H,4-5H2,1-3H3 	 146.1843 
 C4NO3M1OOH 	 OOCC(C)(CC)ON(=O)=O 	 InChI=1S/C5H11NO5/c1-3-5(2,4-10-9)11-6(7)8/h9H,3-4H2,1-2H3 	 165.1445 
 C78CO 	 CC(=O)C(=O)CC(C)(C)O 	 InChI=1S/C7H12O3/c1-5(8)6(9)4-7(2,3)10/h10H,4H2,1-3H3 	 144.1684 
 MPHCOMEO2 	 [O]OCC(=O)c1ccccc1C 	 InChI=1S/C9H9O3/c1-7-4-2-3-5-8(7)9(10)6-12-11/h2-5H,6H2,1H3 	 165.1660 
 CO2C43CHO 	 O=CC(C)C(=O)C 	 InChI=1S/C5H8O2/c1-4(3-6)5(2)7/h3-4H,1-2H3 	 100.1158 
 MECOFOROOH 	 OOCC(=O)OC=O 	 InChI=1S/C3H4O5/c4-2-7-3(5)1-8-6/h2,6H,1H2 	 120.0609 
 MTBEBCO2H 	 COC(C)(C)C(=O)O 	 InChI=1S/C5H10O3/c1-5(2,8-3)4(6)7/h1-3H3,(H,6,7) 	 118.1311 
 C4ECO2OOH 	 CCC(OO)(C=O)C(=O)C 	 InChI=1S/C6H10O4/c1-3-6(4-7,10-9)5(2)8/h4,9H,3H2,1-2H3 	 146.1412 
 EBFUO 	 CCC1OC(=O)C([O])C1O 	 InChI=1S/C6H9O4/c1-2-3-4(7)5(8)6(9)10-3/h3-5,7H,2H2,1H3 	 145.1333 
 CRESO2 	 [O]OC1(O)C=CC2(C)OOC1C2O 	 InChI=1S/C7H9O6/c1-6-2-3-7(9,12-10)5(4(6)8)11-13-6/h2-5,8-9H,1H3 	 189.1428 
 C7M6CO2O 	 CCC(=O)C=CC(C)([O])C=O 	 InChI=1S/C8H11O3/c1-3-7(10)4-5-8(2,11)6-9/h4-6H,3H2,1-2H3 	 155.1711 
 HO1C4OOH 	 OCCCCOO 	 InChI=1S/C4H10O3/c5-3-1-2-4-7-6/h5-6H,1-4H2 	 106.1204 
 C41CO3 	 CC(C(=O)O[O])C(=O)C 	 InChI=1S/C5H7O4/c1-3(4(2)6)5(7)9-8/h3H,1-2H3 	 131.1067 
 H2C3OCO 	 [O]COCC(C)O 	 InChI=1S/C4H9O3/c1-4(6)2-7-3-5/h4,6H,2-3H2,1H3 	 105.1125 
 C54O2 	 OCCC(C)(O)CO[O] 	 InChI=1S/C5H11O4/c1-5(7,2-3-6)4-9-8/h6-7H,2-4H2,1H3 	 135.1384 
 C826NO3 	 O=CCC(CC=O)C(C)(CO)O[N+](=O)[O-] 	 InChI=1S/C8H13NO6/c1-8(6-12,15-9(13)14)7(2-4-10)3-5-11/h4-5,7,12H,2-3,6H2,1H3 	 219.1919 
 C14O3ECHO 	 CCC(C=O)OC(=O)C=O 	 InChI=1S/C6H8O4/c1-2-5(3-7)10-6(9)4-8/h3-5H,2H2,1H3 	 144.1253 
 TLEMUCPAN 	 O=N(=O)OOC(=O)C1OC1C=CC(=O)C 	 InChI=1S/C7H7NO7/c1-4(9)2-3-5-6(13-5)7(10)14-15-8(11)12/h2-3,5-6H,1H3 	 217.1330 
 C618PAN 	 O=CCC(=O)C(C)(C)C(=O)OON(=O)=O 	 InChI=1S/C7H9NO7/c1-7(2,5(10)3-4-9)6(11)14-15-8(12)13/h4H,3H2,1-2H3 	 219.1489 
 NO3CH2CHO 	 O=CCON(=O)=O 	 InChI=1S/C2H3NO4/c4-1-2-7-3(5)6/h1H,2H2 	 105.0495 
 C117OOH 	 OCCC(=O)C1(OO)CC(C)(C)C1CC=O 	 InChI=1S/C11H18O5/c1-10(2)7-11(16-15,8(10)3-5-12)9(14)4-6-13/h5,8,13,15H,3-4,6-7H2,1-2H3 	 230.2576 
 M23C43OOH 	 OOC(C)(C)C(C)C 	 InChI=1S/C6H14O2/c1-5(2)6(3,4)8-7/h5,7H,1-4H3 	 118.1742 
 C718PAN 	 O=CC(C)(C)C(=O)CCC(=O)OON(=O)=O 	 InChI=1S/C8H11NO7/c1-8(2,5-10)6(11)3-4-7(12)15-16-9(13)14/h5H,3-4H2,1-2H3 	 233.1754 
 NOPINCOOH 	 OOC12CCC(=O)C(C1)C2(C)C 	 InChI=1S/C9H14O3/c1-8(2)6-5-9(8,12-11)4-3-7(6)10/h6,11H,3-5H2,1-2H3 	 170.2057 
 CO2C4CO3H 	 CC(=O)CCC(=O)OO 	 InChI=1S/C5H8O4/c1-4(6)2-3-5(7)9-8/h8H,2-3H2,1H3 	 132.1146 
 C930O 	 O=CCCC(=O)C(=O)CC(C)(C)[O] 	 InChI=1S/C9H13O4/c1-9(2,13)6-8(12)7(11)4-3-5-10/h5H,3-4,6H2,1-2H3 	 185.1971 
 C5124COO2 	 [O]OCC(=O)CC(=O)C=O 	 InChI=1S/C5H5O5/c6-2-4(7)1-5(8)3-10-9/h2H,1,3H2 	 145.0902 
 HO2C3CO3 	 [O]OC(=O)CC(C)O 	 InChI=1S/C4H7O4/c1-3(5)2-4(6)8-7/h3,5H,2H2,1H3 	 119.0960 
 ETBEBOOH 	 OOC(C)OC(C)(C)C 	 InChI=1S/C6H14O3/c1-5(9-7)8-6(2,3)4/h5,7H,1-4H3 	 134.1736 
 EBENZOOH 	 OOc1ccccc1CC 	 InChI=1S/C8H10O2/c1-2-7-5-3-4-6-8(7)10-9/h3-6,9H,2H2,1H3 	 138.1638 
 C136CO2H 	 O=CCCC(=C)C1CC(C)(C)C1CCC(=O)O 	 InChI=1S/C14H22O3/c1-10(5-4-8-15)11-9-14(2,3)12(11)6-7-13(16)17/h8,11-12H,1,4-7,9H2,2-3H3,(H,16,17) 	 238.3227 
 C54OH 	 OCCC(C)(O)CO 	 InChI=1S/C5H12O3/c1-5(8,4-7)2-3-6/h6-8H,2-4H2,1H3 	 120.1470 
 C516O 	 OCC([O])CC(=O)C(=O)O 	 InChI=1S/C5H7O5/c6-2-3(7)1-4(8)5(9)10/h3,6H,1-2H2,(H,9,10) 	 147.1061 
 C88CHO 	 O=CC1C(=O)CCC(=O)C1(C)C 	 InChI=1S/C9H12O3/c1-9(2)6(5-10)7(11)3-4-8(9)12/h5-6H,3-4H2,1-2H3 	 168.1898 
 IEB2O 	 O=CC([O])C(C)(O)CO 	 InChI=1S/C5H9O4/c1-5(9,3-7)4(8)2-6/h2,4,7,9H,3H2,1H3 	 133.1226 
 DNMETOLO 	 CCC1=C(N(=O)=O)C2(OOC(C)(C2O)C1([O])O)N(=O)=O 	 InChI=1S/C9H11N2O9/c1-3-4-5(10(15)16)8(11(17)18)6(12)7(2,19-20-8)9(4,13)14/h6,12-13H,3H2,1-2H3 	 291.1916 
 NMETLQOOH 	 CCC1=CC(=O)C(ON(=O)=O)C(C)(OO)C1=O 	 InChI=1S/C9H11NO7/c1-3-5-4-6(11)8(16-10(13)14)9(2,17-15)7(5)12/h4,8,15H,3H2,1-2H3 	 245.1861 
 PETLQONE 	 CCC1=CC(=O)C(=CC1=O)C 	 InChI=1S/C9H10O2/c1-3-7-5-8(10)6(2)4-9(7)11/h4-5H,3H2,1-2H3 	 150.1745 
 H3M3C5O 	 [O]CCC(C)(O)CC 	 InChI=1S/C6H13O2/c1-3-6(2,8)4-5-7/h8H,3-5H2,1-2H3 	 117.1662 
 DNPHENO2 	 [O]OC1(O)C(=CC2(OOC1C2O)N(=O)=O)N(=O)=O 	 InChI=1S/C6H5N2O10/c9-3-4-6(10,17-15)2(7(11)12)1-5(3,8(13)14)18-16-4/h1,3-4,9-10H 	 265.1113 
 NC71OOH 	 OOC1CC(=O)CC(=O)C1(C)ON(=O)=O 	 InChI=1S/C7H9NO7/c1-7(15-8(11)12)5(10)2-4(9)3-6(7)14-13/h6,13H,2-3H2,1H3 	 219.1489 
 DMPHCOMO 	 [O]CC(=O)c1cc(C)cc(C)c1 	 InChI=1S/C10H11O2/c1-7-3-8(2)5-9(4-7)10(12)6-11/h3-5H,6H2,1-2H3 	 163.1931 
 C65NO36CHO 	 CCCCC(C=O)ON(=O)=O 	 InChI=1S/C6H11NO4/c1-2-3-4-6(5-8)11-7(9)10/h5-6H,2-4H2,1H3 	 161.1558 
 CO14O3CHO 	 O=CCOC(=O)C=O 	 InChI=1S/C4H4O4/c5-1-2-8-4(7)3-6/h1,3H,2H2 	 116.0722 
 DMPHCOME 	 Cc1cc(C)cc(c1)C(=O)C 	 InChI=1S/C10H12O/c1-7-4-8(2)6-10(5-7)9(3)11/h4-6H,1-3H3 	 148.2017 
 C3ME3CHOO 	 O=CCC(C)(C)[O] 	 InChI=1S/C5H9O2/c1-5(2,7)3-4-6/h4H,3H2,1-2H3 	 101.1238 
 HO24C5O 	 [O]CC(O)CC(C)O 	 InChI=1S/C5H11O3/c1-4(7)2-5(8)3-6/h4-5,7-8H,2-3H2,1H3 	 119.1390 
 C23O3MCO2H 	 CC(OC(=O)C(=O)C)C(=O)O 	 InChI=1S/C6H8O5/c1-3(7)6(10)11-4(2)5(8)9/h4H,1-2H3,(H,8,9) 	 160.1247 
 OXYFUO 	 CC1([O])C(=O)OCC1(C)O 	 InChI=1S/C6H9O4/c1-5(8)3-10-4(7)6(5,2)9/h8H,3H2,1-2H3 	 145.1333 
 CO1C6OOH 	 OOCCCCCC=O 	 InChI=1S/C6H12O3/c7-5-3-1-2-4-6-9-8/h5,8H,1-4,6H2 	 132.1577 
 CCOCOCOH 	 CC(O)C(=O)C=O 	 InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2-3,6H,1H3 	 102.0886 
 C714OOH 	 OOC(C(=O)C)C(C)C(=O)C 	 InChI=1S/C7H12O4/c1-4(5(2)8)7(11-10)6(3)9/h4,7,10H,1-3H3 	 160.1678 
 C727OOH 	 OOC(CCC(=O)C)C(=O)C 	 InChI=1S/C7H12O4/c1-5(8)3-4-7(11-10)6(2)9/h7,10H,3-4H2,1-2H3 	 160.1678 
 C7MJPPAN 	 CCC(=O)C(O)C(=O)C(=CC(=O)OON(=O)=O)C 	 InChI=1S/C9H11NO8/c1-3-6(11)9(14)8(13)5(2)4-7(12)17-18-10(15)16/h4,9,14H,3H2,1-2H3 	 261.1855 
 C52NO33CO 	 CCC(=O)C(C)ON(=O)=O 	 InChI=1S/C5H9NO4/c1-3-5(7)4(2)10-6(8)9/h4H,3H2,1-2H3 	 147.1293 
 ME2BU2OLO2 	 [O]OC(C)C(C)(C)O 	 InChI=1S/C5H11O3/c1-4(8-7)5(2,3)6/h4,6H,1-3H3 	 119.1390 
 BZBIPERO2 	 [O]OC1C=CC2OOC1C2O 	 InChI=1S/C6H7O5/c7-5-3-1-2-4(9-8)6(5)11-10-3/h1-7H 	 159.1168 
 C6CO134 	 CCC(=O)C(=O)CC=O 	 InChI=1S/C6H8O3/c1-2-5(8)6(9)3-4-7/h4H,2-3H2,1H3 	 128.1259 
 MXNNCATCO 	 O=N(=O)OC1C2(C)OOC1(C)C([O])(O)C(=C2N(=O)=O)O 	 InChI=1S/C8H9N2O10/c1-6-3(9(14)15)4(11)8(12,13)7(2,20-19-6)5(6)18-10(16)17/h5,11-12H,1-2H3 	 293.1645 
 C2H5O2 	 CCO[O] 	 InChI=1S/C2H5O2/c1-2-4-3/h2H2,1H3 	 61.0599 
 C5O45OHPAN 	 CCCC(=O)C(O)C(=O)OON(=O)=O 	 InChI=1S/C6H9NO7/c1-2-3-4(8)5(9)6(10)13-14-7(11)12/h5,9H,2-3H2,1H3 	 207.1382 
 C67O 	 O=CCC([O])C(C)(C)O 	 InChI=1S/C6H11O3/c1-6(2,9)5(8)3-4-7/h4-5,9H,3H2,1-2H3 	 131.1497 
 T124CTCOOA 	 [O-][O+]=C(O)C(=C(C)/C=C(\C)/C(=O)O)C 	 InChI=1S/C9H12O5/c1-5(4-6(2)8(10)11)7(3)9(12)14-13/h4,12H,1-3H3,(H,10,11)/b6-4+,7-5? 	 200.1886 
 NBUTDBO 	 [O]CC=CCON(=O)=O 	 InChI=1S/C4H6NO4/c6-3-1-2-4-9-5(7)8/h1-2H,3-4H2 	 132.0947 
 INDHCHO 	 OCC(ON(=O)=O)C(C)(O)C=O 	 InChI=1S/C5H9NO6/c1-5(9,3-8)4(2-7)12-6(10)11/h3-4,7,9H,2H2,1H3 	 179.1281 
 C68OOH 	 O=CCC(C)(OO)C(C)O 	 InChI=1S/C6H12O4/c1-5(8)6(2,10-9)3-4-7/h4-5,8-9H,3H2,1-2H3 	 148.1571 
 C23O3MO2 	 CC(OC(=O)C(=O)C)O[O] 	 InChI=1S/C5H7O5/c1-3(6)5(7)9-4(2)10-8/h4H,1-2H3 	 147.1061 
 M3HEXAOOH 	 CCC(C)CC(C)OO 	 InChI=1S/C7H16O2/c1-4-6(2)5-7(3)9-8/h6-8H,4-5H2,1-3H3 	 132.2007 
 C828CHO 	 O=CC(C)(C)C(=O)C(=O)CC(=O)C 	 InChI=1S/C9H12O4/c1-6(11)4-7(12)8(13)9(2,3)5-10/h5H,4H2,1-3H3 	 184.1892 
 C9DCO 	 O=C1CC(=O)C2C([O])C1C2(C)C 	 InChI=1S/C9H11O3/c1-9(2)6-4(10)3-5(11)7(9)8(6)12/h6-8H,3H2,1-2H3 	 167.1818 
 IBUTALBO2H 	 CC(COO)C=O 	 InChI=1S/C4H8O3/c1-4(2-5)3-7-6/h2,4,6H,3H2,1H3 	 104.1045 
 C2CL3OHAO2 	 [O]OC(Cl)(Cl)C(O)Cl 	 InChI=1S/C2H2Cl3O3/c3-1(6)2(4,5)8-7/h1,6H 	 180.3945 
 PXYQO2 	 [O]OC1(C)C(=O)C=C(C)C(=O)C1O 	 InChI=1S/C8H9O5/c1-4-3-5(9)8(2,13-12)7(11)6(4)10/h3,7,11H,1-2H3 	 185.1541 
 PXYQOH 	 CC1=CC(=O)C(C)(O)C(O)C1=O 	 InChI=1S/C8H10O4/c1-4-3-5(9)8(2,12)7(11)6(4)10/h3,7,11-12H,1-2H3 	 170.1626 
 HEX2ONCO2 	 CCCC(O[O])C(=O)C 	 InChI=1S/C6H11O3/c1-3-4-6(9-8)5(2)7/h6H,3-4H2,1-2H3 	 131.1497 
 NMBOAO2 	 [O]OC(CON(=O)=O)C(C)(C)O 	 InChI=1S/C5H10NO6/c1-5(2,7)4(12-10)3-11-6(8)9/h4,7H,3H2,1-2H3 	 180.1360 
 NOXYQO 	 O=N(=O)OC1C([O])C(=O)C(=C(C)C1=O)C 	 InChI=1S/C8H8NO6/c1-3-4(2)6(11)8(15-9(13)14)7(12)5(3)10/h7-8H,1-2H3 	 214.1522 
 NPRACANO3 	 CC(=O)OCC(C)ON(=O)=O 	 InChI=1S/C5H9NO5/c1-4(11-6(8)9)3-10-5(2)7/h4H,3H2,1-2H3 	 163.1287 
 C2H5OH 	 CCO 	 InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3 	 46.0684 
 CHEX2ENE 	 CCC/C=C\C 	 InChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3- 	 84.1595 
 C4OH2CPAN 	 O=N(=O)OOC(=O)C(O)C(C)(C)O 	 InChI=1S/C5H9NO7/c1-5(2,9)3(7)4(8)12-13-6(10)11/h3,7,9H,1-2H3 	 195.1275 
 HOC3H6CO3 	 OCCCC(=O)O[O] 	 InChI=1S/C4H7O4/c5-3-1-2-4(6)8-7/h5H,1-3H2 	 119.0960 
 C116PAN 	 O=CCC1C(CC1(C)C)C(=O)CCC(=O)OO[N+](=O)[O-] 	 InChI=1S/C12H17NO7/c1-12(2)7-8(9(12)5-6-14)10(15)3-4-11(16)19-20-13(17)18/h6,8-9H,3-5,7H2,1-2H3 	 287.2659 
 H2M4CO5C6 	 CC(O)CC(C)C(=O)C 	 InChI=1S/C7H14O2/c1-5(7(3)9)4-6(2)8/h5-6,8H,4H2,1-3H3 	 130.1849 
 C8BC 	 CC1(C)C2CCC1C2 	 InChI=1S/C8H14/c1-8(2)6-3-4-7(8)5-6/h6-7H,3-5H2,1-2H3 	 110.1968 
 PETLMUCOH 	 CC1(OC1C=O)C(O)C(O)C(=O)CC 	 InChI=1S/C9H14O5/c1-3-5(11)7(12)8(13)9(2)6(4-10)14-9/h4,6-8,12-13H,3H2,1-2H3 	 202.2045 
 CO25C6OOH 	 OOC(CC(=O)C)C(=O)C 	 InChI=1S/C6H10O4/c1-4(7)3-6(10-9)5(2)8/h6,9H,3H2,1-2H3 	 146.1412 
 PETLMUCO2 	 CC1(OC1C=O)C(O)C(O[O])C(=O)CC 	 InChI=1S/C9H13O6/c1-3-5(11)7(15-13)8(12)9(2)6(4-10)14-9/h4,6-8,12H,3H2,1-2H3 	 217.1959 
 C1011CO3 	 [O]OC(=O)C1CC(C)(C)C1CCC(=O)C 	 InChI=1S/C11H17O4/c1-7(12)4-5-9-8(10(13)15-14)6-11(9,2)3/h8-9H,4-6H2,1-3H3 	 213.2503 
 DIIPRETOOH 	 OOC(C)(C)OC(C)C 	 InChI=1S/C6H14O3/c1-5(2)8-6(3,4)9-7/h5,7H,1-4H3 	 134.1736 
 H13CO2C3 	 OCC(=O)CO 	 InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2 	 90.0779 
 IPEAO 	 CCC(C)C[O] 	 InChI=1S/C5H11O/c1-3-5(2)4-6/h5H,3-4H2,1-2H3 	 87.1402 
 C731CO2H 	 O=CCC(CCC(=O)O)C(=O)C 	 InChI=1S/C8H12O4/c1-6(10)7(4-5-9)2-3-8(11)12/h5,7H,2-4H2,1H3,(H,11,12) 	 172.1785 
 C1211PAN 	 OC(=O)CCC1C(CC1(C)C)C(=O)CCC(=O)OO[N+](=O)[O-] 	 InChI=1S/C13H19NO8/c1-13(2)7-8(9(13)3-5-11(16)17)10(15)4-6-12(18)21-22-14(19)20/h8-9H,3-7H2,1-2H3,(H,16,17) 	 317.2919 
 C5CO2DBCO3 	 O=CC(=O)C=C(C)C(=O)O[O] 	 InChI=1S/C6H5O5/c1-4(6(9)11-10)2-5(8)3-7/h2-3H,1H3 	 157.1009 
 BCBCO 	 C=C1CCC(=O)C(C)(O)CCC2C1CC2(C)C 	 InChI=1S/C15H24O2/c1-10-5-6-13(16)15(4,17)8-7-12-11(10)9-14(12,2)3/h11-12,17H,1,5-9H2,2-4H3 	 236.3499 
 NC4OHCO3H 	 OOC(=O)C(ON(=O)=O)C(C)(C)O 	 InChI=1S/C5H9NO7/c1-5(2,8)3(4(7)13-11)12-6(9)10/h3,8,11H,1-2H3 	 195.1275 
 C58O 	 O=CC(O)C(C)([O])CO 	 InChI=1S/C5H9O4/c1-5(9,3-7)4(8)2-6/h2,4,7-8H,3H2,1H3 	 133.1226 
 HO2CO5C7 	 CCC(=O)CCC(C)O 	 InChI=1S/C7H14O2/c1-3-7(9)5-4-6(2)8/h6,8H,3-5H2,1-2H3 	 130.1849 
 HO2CO5C6 	 CC(O)CCC(=O)C 	 InChI=1S/C6H12O2/c1-5(7)3-4-6(2)8/h5,7H,3-4H2,1-2H3 	 116.1583 
 BOXMPAN 	 CCCCOCC(=O)OON(=O)=O 	 InChI=1S/C6H11NO6/c1-2-3-4-11-5-6(8)12-13-7(9)10/h2-5H2,1H3 	 193.1546 
 ETOHCO2M 	 COC(=O)C(C)O 	 InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3 	 104.1045 
 HO1CO3C4O2 	 OCCC(=O)CO[O] 	 InChI=1S/C4H7O4/c5-2-1-4(6)3-8-7/h5H,1-3H2 	 119.0960 
 IPBZMUCNO3 	 O=CC1OC1C(O)C(ON(=O)=O)C(=O)C(C)C 	 InChI=1S/C9H13NO7/c1-4(2)6(12)9(17-10(14)15)7(13)8-5(3-11)16-8/h3-5,7-9,13H,1-2H3 	 247.2020 
 C824O 	 CC(=C)C(CCO)C([O])C=O 	 InChI=1S/C8H13O3/c1-6(2)7(3-4-9)8(11)5-10/h5,7-9H,1,3-4H2,2H3 	 157.1870 
 C1210CO3 	 O=CCCC(=O)C1CC(C)(C)C1CCC(=O)O[O] 	 InChI=1S/C13H19O5/c1-13(2)8-9(11(15)4-3-7-14)10(13)5-6-12(16)18-17/h7,9-10H,3-6,8H2,1-2H3 	 255.2870 
 C1210CO2 	 O=CCCC(=O)C1CC(C)(C)C1CCC(=O)[O] 	 InChI=1S/C13H19O4/c1-13(2)8-9(11(15)4-3-7-14)10(13)5-6-12(16)17/h7,9-10H,3-6,8H2,1-2H3 	 239.2876 
 INDHPAN 	 OCC(ON(=O)=O)C(C)(O)C(=O)OON(=O)=O 	 InChI=1S/C5H8N2O10/c1-5(10,3(2-8)15-6(11)12)4(9)16-17-7(13)14/h3,8,10H,2H2,1H3 	 256.1244 
 PE1ENEANO3 	 CCCC(CO)ON(=O)=O 	 InChI=1S/C5H11NO4/c1-2-3-5(4-7)10-6(8)9/h5,7H,2-4H2,1H3 	 149.1451 
 NPEBQO2 	 [O]OC1C(=O)C=C(CC)C(=O)C1ON(=O)=O 	 InChI=1S/C8H8NO7/c1-2-4-3-5(10)7(16-14)8(6(4)11)15-9(12)13/h3,7-8H,2H2,1H3 	 230.1516 
 C6CO23HO5 	 CC(O)CC(=O)C(=O)C 	 InChI=1S/C6H10O3/c1-4(7)3-6(9)5(2)8/h4,7H,3H2,1-2H3 	 130.1418 
 HM2C43CO2H 	 OCC(C)C(C)C(=O)O 	 InChI=1S/C6H12O3/c1-4(3-7)5(2)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9) 	 132.1577 
 MC3ODBCO2H 	 O=CC=C(C)C(=O)O 	 InChI=1S/C5H6O3/c1-4(2-3-6)5(7)8/h2-3H,1H3,(H,7,8) 	 114.0993 
 MALDIALPAN 	 O=CC=CC(=O)OON(=O)=O 	 InChI=1S/C4H3NO6/c6-3-1-2-4(7)10-11-5(8)9/h1-3H 	 161.0697 
 C89CO2H 	 O=CCC1CC(C(=O)O)C1(C)C 	 InChI=1S/C9H14O3/c1-9(2)6(3-4-10)5-7(9)8(11)12/h4,6-7H,3,5H2,1-2H3,(H,11,12) 	 170.2057 
 C6DICARBO2 	 [O]OC(C(O)C=O)C(=O)CC 	 InChI=1S/C6H9O5/c1-2-4(8)6(11-10)5(9)3-7/h3,5-6,9H,2H2,1H3 	 161.1327 
 CL2OHCO3 	 [O]OC(=O)C(O)(Cl)Cl 	 InChI=1S/C2HCl2O4/c3-2(4,6)1(5)8-7/h6H 	 159.9329 
 C3DBCO3 	 CC=CC(=O)O[O] 	 InChI=1S/C4H5O3/c1-2-3-4(5)7-6/h2-3H,1H3 	 101.0807 
 C72OOH 	 OOC(CC(=O)CC)C(C)O 	 InChI=1S/C7H14O4/c1-3-6(9)4-7(11-10)5(2)8/h5,7-8,10H,3-4H2,1-2H3 	 162.1837 
 CO23C3CHO 	 O=CC(=O)C(=O)C 	 InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3 	 100.0728 
 ETBECPAN 	 O=C(OON(=O)=O)COC(C)(C)C 	 InChI=1S/C6H11NO6/c1-6(2,3)11-4-5(8)12-13-7(9)10/h4H2,1-3H3 	 193.1546 
 PRNOCOPOOH 	 CC(CC(=O)OCC(=O)C)OO 	 InChI=1S/C7H12O5/c1-5(8)4-11-7(9)3-6(2)12-10/h6,10H,3-4H2,1-2H3 	 176.1672 
 NTLFUOOH 	 OOC1C(=O)OC(C)C1ON(=O)=O 	 InChI=1S/C5H7NO7/c1-2-3(12-6(8)9)4(13-10)5(7)11-2/h2-4,10H,1H3 	 193.1116 
 C62NO33OOH 	 CCCC(OO)C(C)ON(=O)=O 	 InChI=1S/C6H13NO5/c1-3-4-6(12-10)5(2)11-7(8)9/h5-6,10H,3-4H2,1-2H3 	 179.1711 
 C85O 	 CC(=O)C1CC([O])C1(C)C 	 InChI=1S/C8H13O2/c1-5(9)6-4-7(10)8(6,2)3/h6-7H,4H2,1-3H3 	 141.1876 
 ENNCATCOOH 	 CCC12OOC(C(=C(O)C2(O)OO)N(=O)=O)C1ON(=O)=O 	 InChI=1S/C8H10N2O11/c1-2-7-6(18-10(15)16)4(19-21-7)3(9(13)14)5(11)8(7,12)20-17/h4,6,11-12,17H,2H2,1H3 	 310.1718 
 PXYBPEROOH 	 OOC1(C)C=CC2(C)OOC1C2O 	 InChI=1S/C8H12O5/c1-7-3-4-8(2,12-10)6(5(7)9)11-13-7/h3-6,9-10H,1-2H3 	 188.1779 
 HO2M2C4NO3 	 O=N(=O)OCCC(C)(C)O 	 InChI=1S/C5H11NO4/c1-5(2,7)3-4-10-6(8)9/h7H,3-4H2,1-2H3 	 149.1451 
 SBUACETAO2 	 CCC(C)(O[O])OC(=O)C 	 InChI=1S/C6H11O4/c1-4-6(3,10-8)9-5(2)7/h4H2,1-3H3 	 147.1491 
 C7ADCCO2H 	 CC(=O)C(=C(C)C(=O)O)C 	 InChI=1S/C7H10O3/c1-4(6(3)8)5(2)7(9)10/h1-3H3,(H,9,10) 	 142.1525 
 TM124BCO3H 	 OOC(=O)c1ccc(C)c(C)c1 	 InChI=1S/C9H10O3/c1-6-3-4-8(5-7(6)2)9(10)12-11/h3-5,11H,1-2H3 	 166.1739 
 CO24M3CHO 	 O=CC(=O)C(C)C(=O)C 	 InChI=1S/C6H8O3/c1-4(5(2)8)6(9)3-7/h3-4H,1-2H3 	 128.1259 
 CYHXONAO 	 [O]C1CCCC(=O)C1 	 InChI=1S/C6H9O2/c7-5-2-1-3-6(8)4-5/h5H,1-4H2 	 113.1345 
 CCL3O2 	 [O]OC(Cl)(Cl)Cl 	 InChI=1S/CCl3O2/c2-1(3,4)6-5 	 150.3685 
 TBOCOCHO 	 O=CC(=O)OC(C)(C)C 	 InChI=1S/C6H10O3/c1-6(2,3)9-5(8)4-7/h4H,1-3H3 	 130.1418 
 C104OH 	 CCCCC(=O)C(O)CC(=O)CC 	 InChI=1S/C10H18O3/c1-3-5-6-9(12)10(13)7-8(11)4-2/h10,13H,3-7H2,1-2H3 	 186.2481 
 C104O2 	 CCCCC(=O)C(O[O])CC(=O)CC 	 InChI=1S/C10H17O4/c1-3-5-6-9(12)10(14-13)7-8(11)4-2/h10H,3-7H2,1-2H3 	 201.2396 
 MEBFUO 	 CCC1OC(=O)C(C)([O])C1O 	 InChI=1S/C7H11O4/c1-3-4-5(8)7(2,10)6(9)11-4/h4-5,8H,3H2,1-2H3 	 159.1598 
 MIBKANO3 	 CC(=O)CC(C)(C)ON(=O)=O 	 InChI=1S/C6H11NO4/c1-5(8)4-6(2,3)11-7(9)10/h4H2,1-3H3 	 161.1558 
 CCL3OH 	 OC(Cl)(Cl)Cl 	 InChI=1S/CHCl3O/c2-1(3,4)5/h5H 	 135.3770 
 CO2M33CO3 	 [O]OC(=O)C(C)(C)C(=O)C 	 InChI=1S/C6H9O4/c1-4(7)6(2,3)5(8)10-9/h1-3H3 	 145.1333 
 C132O 	 OCCC(=O)C1([O])CC(C)(C)C1CCC(=O)C 	 InChI=1S/C13H21O4/c1-9(15)4-5-10-12(2,3)8-13(10,17)11(16)6-7-14/h10,14H,4-8H2,1-3H3 	 241.3034 
 C1013NO3 	 COC(=O)CCC1C(O[N+](=O)[O-])CC1(C)C 	 InChI=1S/C10H17NO5/c1-10(2)6-8(16-11(13)14)7(10)4-5-9(12)15-3/h7-8H,4-6H2,1-3H3 	 231.2457 
 NC730OOH 	 [O-][N+](=O)OCC(C)(OO)C(CCO)C=O 	 InChI=1S/C7H13NO7/c1-7(15-13,5-14-8(11)12)6(4-10)2-3-9/h4,6,9,13H,2-3,5H2,1H3 	 223.1806 

