mol_ID,Name,CAS_RN,SMILES,MS_Ready_SMILES,MS_Ready_Std_InChI,MS_Ready_Std_InChIKey,Monoiso_Mass,[M+H]+,[M-H]-,ChemSpider ID,Pubchem_CID,Validation_status,Comments
StNorman1,Microcystin-LR,CAS_RN: 101043-37-2,CO[C@@H](Cc1ccccc1)[C@@H](C)/C=C(C)/C=C/[C@@H]2NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]2C)C(O)=O)C(O)=O,COC(Cc1ccccc1)C(C)/C=C(\C)/C=C/C1NC(=O)C(CCCN=C(N)N)NC(=O)C(C)C(NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(=C)N(C)C(=O)CCC(NC(=O)C1C)C(=O)O)C(=O)O,"InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+",ZYZCGGRZINLQBL-ORZJCNCZSA-N,994.5488,995.5566,993.5409,393078,5870470,Chemical info is not verified,
StNorman2,Microcystin-RR,CAS_RN: 111755-37-4,C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CCCN=C(N)N)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](Cc2ccccc2)OC)/C,CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CCCN=C(N)N)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/C(C)C(Cc1ccccc1)OC)/C,"InChI=1S/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+",JIGDOBKZMULDHS-STFJVFQPSA-N,1037.5658,1038.5736,1036.558,4942840,6012561,Chemical info is not verified,
StNorman3,Microcystin-YR,CAS_RN: 101064-48-6,C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)Cc2ccc(cc2)O)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](Cc3ccccc3)OC)/C,CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)Cc1ccc(cc1)O)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/C(C)C(Cc1ccccc1)OC)/C,"InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)60-40(26-35-17-19-36(63)20-18-35)49(70)61-43(51(73)74)31(4)45(66)58-38(48(69)57-37)15-12-24-55-52(53)54/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,69)(H,58,66)(H,59,65)(H,60,67)(H,61,70)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+",OWHASZQTEFAUJC-WBXJHTTOSA-N,1044.528,1045.5359,1043.5202,4941676,NA,Chemical info is not verified,
StNorman4,Surfinol-104,CAS_RN: 126-86-3,CC(C)CC(C)(O)C#CC(C)(O)CC(C)C,CC(C)CC(C)(O)C#CC(C)(O)CC(C)C,"InChI=1S/C14H26O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,9-10H2,1-6H3",LXOFYPKXCSULTL-UHFFFAOYSA-N,226.1933,227.2011,225.1855,29095,31362,Chemical info is verified,
StNorman5,"2,6-Di-tert-butylphenol",CAS_RN: 128-39-2,CC(C)(C)c1cccc(c1O)C(C)(C)C,CC(C)(C)c1cccc(c1O)C(C)(C)C,"InChI=1S/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3",DKCPKDPYUFEZCP-UHFFFAOYSA-N,206.1671,207.1749,205.1592,29135,31405,Chemical info is verified,
StNorman6,Butylated hydroxyanisole,CAS_RN: 25013-16-5,COc1ccc(O)c(c1)C(C)(C)C,COc1ccc(O)c(c1)C(C)(C)C,"InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3",MRBKEAMVRSLQPH-UHFFFAOYSA-N,180.115,181.1229,179.1072,23068,NA,Chemical info is not verified,
StNorman7,tert-Butylhydroquinone,CAS_RN: 1948-33-0,CC(C)(C)c1cc(O)ccc1O,CC(C)(C)c1cc(O)ccc1O,"InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3",BGNXCDMCOKJUMV-UHFFFAOYSA-N,166.0994,167.1072,165.0916,15235,16043,Chemical info is verified,
StNorman8,Butylated hydroxytoluene,CAS_RN: 128-37-0,Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3",NLZUEZXRPGMBCV-UHFFFAOYSA-N,220.1827,221.1905,219.1749,13835296,31404,Chemical info is verified,
StNorman9,Cybutryne (Irgarol),CAS_RN: 28159-98-0,CSc1nc(NC2CC2)nc(NC(C)(C)C)n1,CSc1nc(NC2CC2)nc(NC(C)(C)C)n1,"InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)",HDHLIWCXDDZUFH-UHFFFAOYSA-N,253.1361,254.1439,252.1283,82701,91590,Chemical info is verified,
StNorman10,Dibutyl tin ion,CAS_RN: 1002-53-5,CCCC[Sn]CCCC,CCCC[Sn]CCCC,"InChI=1S/2C4H9.Sn/c2*1-3-4-2;/h2*1,3-4H2,2H3;",AYOHIQLKSOJJQH-UHFFFAOYSA-N,234.043,235.0509,233.0352,6266,NA,Chemical info is not verified,
StNorman11,Monobutyl tin ion,CAS_RN: 78763-54-9,CCCC[Sn+3],CCCC[Sn+3],"InChI=1S/C4H9.Sn/c1-3-4-2;/h1,3-4H2,2H3;/q;+3",NPAIMXWXWPJRES-UHFFFAOYSA-N,176.971,177.9788,175.9632,16102,54267,Chemical info is not verified,
StNorman12,Tetrabutyl tin ion,CAS_RN: 1461-25-2,CCCC[Sn](CCCC)(CCCC)CCCC,CCCC[Sn](CCCC)(CCCC)CCCC,"InChI=1S/4C4H9.Sn/c4*1-3-4-2;/h4*1,3-4H2,2H3;",AFCAKJKUYFLYFK-UHFFFAOYSA-N,348.1839,349.1917,347.1761,14370,NA,Chemical info is not verified,
StNorman13,Triphenyltin cation,CAS_RN: 668-34-8,c1ccc(cc1)[Sn+](c2ccccc2)c3ccccc3,c1ccc(cc1)[Sn+](c1ccccc1)c1ccccc1,InChI=1S/3C6H5.Sn/c3*1-2-4-6-5-3-1;/h3*1-5H;/q;;;+1,XBRCDWHXULVEFB-UHFFFAOYSA-N,351.019,352.0268,350.0112,82606,91481,Chemical info is not verified,
StNorman14,Trichloronitromethane (Chloropicrin),CAS_RN: 76-06-2,[O-][N+](=O)C(Cl)(Cl)Cl,O=N(=O)C(Cl)(Cl)Cl,"InChI=1S/CCl3NO2/c2-1(3,4)5(6)7",LFHISGNCFUNFFM-UHFFFAOYSA-N,162.8995,163.9073,161.8916,13861343,6423,Chemical info is verified,
StNorman15,Diethylenetriaminepentaacetic acid,CAS_RN: 67-43-6,OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O,OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O,"InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)",QPCDCPDFJACHGM-UHFFFAOYSA-N,393.1383,394.1462,392.1305,2945,3053,Chemical info is verified,
StNorman16,Ethylenediaminetetraacetic acid,CAS_RN: 60-00-4,OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O,OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O,"InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)",KCXVZYZYPLLWCC-UHFFFAOYSA-N,292.0907,293.0985,291.0828,5826,NA,Chemical info is not verified,
StNorman17,Nitrilotriacetic acid,CAS_RN: 139-13-9,OC(=O)CN(CC(O)=O)CC(O)=O,OC(=O)CN(CC(=O)O)CC(=O)O,"InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)",MGFYIUFZLHCRTH-UHFFFAOYSA-N,191.043,192.0508,190.0352,8428,8758,Chemical info is verified,
StNorman18,Oxadixyl,CAS_RN: 77732-09-3,COCC(=O)N(N1CCOC1=O)c2c(C)cccc2C,COCC(=O)N(N1CCOC1=O)c1c(C)cccc1C,"InChI=1S/C14H18N2O4/c1-10-5-4-6-11(2)13(10)16(12(17)9-19-3)15-7-8-20-14(15)18/h4-6H,7-9H2,1-3H3",UWVQIROCRJWDKL-UHFFFAOYSA-N,278.1267,279.1345,277.1188,48518,53735,Chemical info is verified,
StNorman19,Tetraacetylethylenediamine,CAS_RN: 10543-57-4,CC(=O)N(CCN(C(C)=O)C(C)=O)C(C)=O,CC(=O)N(CCN(C(=O)C)C(=O)C)C(=O)C,"InChI=1S/C10H16N2O4/c1-7(13)11(8(2)14)5-6-12(9(3)15)10(4)16/h5-6H2,1-4H3",BGRWYDHXPHLNKA-UHFFFAOYSA-N,228.111,229.1188,227.1032,59725,66347,Chemical info is verified,
StNorman20,Naphthalene sulphonic acid,CAS_RN: 120-18-3,O[S](=O)(=O)c1ccc2ccccc2c1,OS(=O)(=O)c1ccc2ccccc2c1,"InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)",KVBGVZZKJNLNJU-UHFFFAOYSA-N,208.0194,209.0272,207.0116,6553,8420,Chemical info is not verified,
StNorman21,C10-C14-LAS,CAS_RN: 69669-44-9,[Na+].CCCCCCCCCC(CC)c1ccc(cc1)[S]([O-])(=O)=O,CCCCCCCCCC(CC)c1ccc(cc1)S(=O)(=O)O,"InChI=1S/C18H30O3S/c1-3-5-6-7-8-9-10-11-16(4-2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)",QJRVOJKLQNSNDB-UHFFFAOYSA-N,326.1916,327.1994,325.1837,30411,29249,Chemical info is not verified,MIXTURE
StNorman22,C12-LAS,CAS_RN: 25155-30-0,CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-].[Na+],CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,326.1916,327.1994,325.1837,15784,8485,Chemical info is verified,
StNorman23,4-Nonylphenol di-ethoxylate / 2-(2-(4-Nonylphenoxy)ethoxy)ethanol,CAS_RN: 20427-84-3,CCCCCCCCCc1ccc(OCCOCCO)cc1,CCCCCCCCCc1ccc(OCCOCCO)cc1,"InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)22-17-16-21-15-14-20/h10-13,20H,2-9,14-17H2,1H3",BLXVTZPGEOGTGG-UHFFFAOYSA-N,308.2351,309.243,307.2273,23159,24773,Chemical info is verified,
StNorman24,4-Nonylphenol mono-ethoxylate,CAS_RN: 104-35-8,CCCCCCCCCc1ccc(OCCO)cc1,CCCCCCCCCc1ccc(OCCO)cc1,"InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)19-15-14-18/h10-13,18H,2-9,14-15H2,1H3",KUXGUCNZFCVULO-UHFFFAOYSA-N,264.2089,265.2168,263.2011,7414,7700,Chemical info is verified,
StNorman25,4-Nonylphenoxy acetic acid,CAS_RN: 3115-49-9,CCCCCCCCCc1ccc(OCC(O)=O)cc1,CCCCCCCCCc1ccc(OCC(=O)O)cc1,"InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-15-10-12-16(13-11-15)20-14-17(18)19/h10-13H,2-9,14H2,1H3,(H,18,19)",NISAHDHKGPWBEM-UHFFFAOYSA-N,278.1882,279.196,277.1804,17357,18380,Chemical info is verified,
StNorman26,2-(2-(4-Nonylphenoxy)ethoxy)acetic acid,CAS_RN: 106807-78-7,CCCCCCCCCc1ccc(OCCOCC(O)=O)cc1,CCCCCCCCCc1ccc(OCCOCC(=O)O)cc1,"InChI=1S/C19H30O4/c1-2-3-4-5-6-7-8-9-17-10-12-18(13-11-17)23-15-14-22-16-19(20)21/h10-13H,2-9,14-16H2,1H3,(H,20,21)",RAQHOBRSMPMJIP-UHFFFAOYSA-N,322.2144,323.2222,321.2066,77810,86267,Chemical info is not verified,
StNorman27,"2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethanol / 4-Octylphenol di-ethoxylate",CAS_RN: 2315-61-9,CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCO,CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCO,"InChI=1S/C18H30O3/c1-17(2,3)14-18(4,5)15-6-8-16(9-7-15)21-13-12-20-11-10-19/h6-9,19H,10-14H2,1-5H3",LBCZOTMMGHGTPH-UHFFFAOYSA-N,294.2195,295.2273,293.2117,23161,24775,Chemical info is verified,
StNorman28,"2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethanol /  4-Octylphenol mono-ethoxylate",CAS_RN: 2315-67-5,CC(C)(C)CC(C)(C)c1ccc(OCCO)cc1,CC(C)(C)CC(C)(C)c1ccc(OCCO)cc1,"InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3",JYCQQPHGFMYQCF-UHFFFAOYSA-N,250.1933,251.2011,249.1855,5388,5590,Chemical info is verified,
StNorman29,4-Octylphenoxy acetic acid,CAS_RN: 15234-85-2,CCCCCCCCc1ccc(OCC(O)=O)cc1,CCCCCCCCc1ccc(OCC(=O)O)cc1,"InChI=1S/C16H24O3/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)19-13-16(17)18/h9-12H,2-8,13H2,1H3,(H,17,18)",DWUYSEMDJQMICY-UHFFFAOYSA-N,264.1725,265.1804,263.1647,25265,27145,Chemical info is verified,
StNorman30,Cyanoformaldehyde,CAS_RN: 4471-47-0,NCC=O,NCC=O,"InChI=1S/C2H5NO/c3-1-2-4/h2H,1,3H2",LYIIBVSRGJSHAV-UHFFFAOYSA-N,59.0371,60.0449,58.0293,3068544,363,Chemical info is not verified,
StNorman31,Decabromodiphenyl ethane,CAS_RN: 84852-53-9,C(CC1=C(C(=C(C(=C1Br)Br)Br)Br)Br)C2=C(C(=C(C(=C2Br)Br)Br)Br)Br,C(Cc1c(c(c(c(c1Br)Br)Br)Br)Br)c1c(c(c(c(c1Br)Br)Br)Br)Br,InChI=1S/C14H4Br10/c15-5-3(6(16)10(20)13(23)9(5)19)1-2-4-7(17)11(21)14(24)12(22)8(4)18/h1-2H2,BZQKBFHEWDPQHD-UHFFFAOYSA-N,961.2147,962.2225,960.2069,9161088,10985889,Chemical info is verified,
StNorman32,Hexabromocyclododecane,CAS_RN: 25637-99-4,BrC1CC(Br)CC(Br)CC(Br)CC(Br)CC(Br)C1,BrC1CC(Br)CC(Br)CC(Br)CC(Br)CC(Br)C1,"InChI=1S/C12H18Br6/c13-7-1-8(14)3-10(16)5-12(18)6-11(17)4-9(15)2-7/h7-12H,1-6H2",LEOCKULGXOQRTQ-UHFFFAOYSA-N,635.6509,636.6587,634.6431,30614,33121,Chemical info is not verified,
StNorman33,n-Nitrosodimethylamine,CAS_RN: 62-75-9,CN(C)N=O,CN(C)N=O,InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3,UMFJAHHVKNCGLG-UHFFFAOYSA-N,74.048,75.0558,73.0402,5894,6124,Chemical info is verified,
StNorman34,Benzylbutylphthalate,CAS_RN: 85-68-7,CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2,CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1,"InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3",IRIAEXORFWYRCZ-UHFFFAOYSA-N,312.1362,313.144,311.1283,2257,2347,Chemical info is verified,
StNorman35,Diethyl phthalate,CAS_RN: 84-66-2,CCOC(=O)c1ccccc1C(=O)OCC,CCOC(=O)c1ccccc1C(=O)OCC,"InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3",FLKPEMZONWLCSK-UHFFFAOYSA-N,222.0892,223.097,221.0814,13837303,6781,Chemical info is verified,
StNorman36,Dimetylphthalate,CAS_RN: 131-11-3,COC(=O)c1ccccc1C(=O)OC,COC(=O)c1ccccc1C(=O)OC,"InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3",NIQCNGHVCWTJSM-UHFFFAOYSA-N,194.0579,195.0657,193.0501,13837329,8554,Chemical info is verified,
StNorman37,Di-n-butylphthalate,CAS_RN: 84-74-2,CCCCOC(=O)c1ccccc1C(=O)OCCCC,CCCCOC(=O)c1ccccc1C(=O)OCCCC,"InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3",DOIRQSBPFJWKBE-UHFFFAOYSA-N,278.1518,279.1596,277.144,13837319,3026,Chemical info is verified,
StNorman38,Di-n-octylphthalate,CAS_RN: 117-84-0,CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,"InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3",MQIUGAXCHLFZKX-UHFFFAOYSA-N,390.277,391.2848,389.2692,8043,8346,Chemical info is verified,
StNorman39,Bisphenol A,CAS_RN: 80-05-7,CC(C)(c1ccc(O)cc1)c2ccc(O)cc2,CC(C)(c1ccc(O)cc1)c1ccc(O)cc1,"InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3",IISBACLAFKSPIT-UHFFFAOYSA-N,228.115,229.1229,227.1072,6371,6623,Chemical info is verified,
StNorman40,Triphenyl phosphate,CAS_RN: 115-86-6,O=[P](Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3,O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,"InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H",XZZNDPSIHUTMOC-UHFFFAOYSA-N,326.0708,327.0786,325.063,7988,8289,Chemical info is verified,
StNorman41,"2,4-Dihydroxybenzophenone",CAS_RN: 131-56-6,Oc1ccc(c(O)c1)C(=O)c2ccccc2,Oc1ccc(c(O)c1)C(=O)c1ccccc1,"InChI=1S/C13H10O3/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,14-15H",ZXDDPOHVAMWLBH-UHFFFAOYSA-N,214.063,215.0708,213.0552,8254,8572,Chemical info is verified,
StNorman42,"1,2,5,6,9,10-Hexabromocyclododecane",CAS_RN: 3194-55-6,BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br,BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br,"InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2",DEIGXXQKDWULML-UHFFFAOYSA-N,635.6509,636.6587,634.6431,17499,18529,Chemical info is verified,
StNorman43,"2,2',3,4,4',5',6-Heptabromodiphenyl ether",CAS_RN: 207122-16-5,c1c(c(cc(c1Br)Br)Br)Oc2c(cc(c(c2Br)Br)Br)Br,c1c(c(cc(c1Br)Br)Br)Oc1c(cc(c(c1Br)Br)Br)Br,InChI=1S/C12H3Br7O/c13-4-1-6(15)9(3-5(4)14)20-12-8(17)2-7(16)10(18)11(12)19/h1-3H,ILPSCQCLBHQUEM-UHFFFAOYSA-N,715.4468,716.4546,714.4389,21170701,15509899,Chemical info is not verified,
StNorman44,"2,2',4,4',5,5'-Hexabromodiphenyl ether",CAS_RN: 68631-49-2,Brc1cc(Br)c(Oc2cc(Br)c(Br)cc2Br)cc1Br,Brc1cc(Br)c(Oc2cc(Br)c(Br)cc2Br)cc1Br,InChI=1S/C12H4Br6O/c13-5-1-9(17)11(3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4H,RZXIRSKYBISPGF-UHFFFAOYSA-N,637.5362,638.5441,636.5284,136695,155166,Chemical info is verified,
StNorman45,"2,2',4,4',5,6'-Hexabromodiphenyl ether",CAS_RN: 207122-15-4,c1c(cc(c(c1Br)Oc2cc(c(cc2Br)Br)Br)Br)Br,c1c(cc(c(c1Br)Oc1cc(c(cc1Br)Br)Br)Br)Br,InChI=1S/C12H4Br6O/c13-5-1-9(17)12(10(18)2-5)19-11-4-7(15)6(14)3-8(11)16/h1-4H,VHNPZYZQKWIWOD-UHFFFAOYSA-N,637.5362,638.5441,636.5284,21170702,15509898,Chemical info is verified,
StNorman46,"2,2',4,4'-Tetrabromodiphenyl ether",CAS_RN: 5436-43-1,Brc1ccc(Oc2ccc(Br)cc2Br)c(Br)c1,Brc1ccc(Oc2ccc(Br)cc2Br)c(Br)c1,InChI=1S/C12H6Br4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H,XYBSIYMGXVUVGY-UHFFFAOYSA-N,481.7152,482.723,480.7074,85876,95170,Chemical info is verified,
StNorman47,"2,2',3,3',4,4',5,5',6,6'-Decabromodiphenyl ether",CAS_RN: 1163-19-5,Brc1c(Br)c(Br)c(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br,Brc1c(Br)c(Br)c(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br,InChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22,WHHGLZMJPXIBIX-UHFFFAOYSA-N,949.1783,950.1861,948.1705,13764,14410,Chemical info is verified,
StNorman48,Octabromodiphenyl ethers,CAS_RN: 32536-52-0,Brc1cc(Oc2cc(Br)c(Br)c(Br)c2Br)c(Br)c(Br)c1Br,Brc1cc(Oc2cc(Br)c(Br)c(Br)c2Br)c(Br)c(Br)c1Br,InChI=1S/C12H2Br8O/c13-3-1-5(9(17)11(19)7(3)15)21-6-2-4(14)8(16)12(20)10(6)18/h1-2H,ORYGKUIDIMIRNN-UHFFFAOYSA-N,793.3573,794.3651,792.3494,5020645,6537506,Chemical info is verified,
StNorman49,"Tetrabromobisphenol A bis(2,3-dibromopropyl) ether",CAS_RN: 21850-44-2,CC(C)(c1cc(Br)c(OCC(Br)CBr)c(Br)c1)c2cc(Br)c(OCC(Br)CBr)c(Br)c2,CC(C)(c1cc(Br)c(OCC(Br)CBr)c(Br)c1)c1cc(Br)c(OCC(Br)CBr)c(Br)c1,"InChI=1S/C21H20Br8O2/c1-21(2,11-3-15(26)19(16(27)4-11)30-9-13(24)7-22)12-5-17(28)20(18(29)6-12)31-10-14(25)8-23/h3-6,13-14H,7-10H2,1-2H3",LXIZRZRTWSDLKK-UHFFFAOYSA-N,935.493,936.5009,934.4852,56497,62753,Chemical info is verified,
StNorman50,Tris(2-carboxyethyl)phosphine hydrochloride,CAS_RN: 51805-45-9,[O-]C(=O)CCP(CCC([O-])=O)CCC([O-])=O,OC(=O)CCP(CCC(=O)O)CCC(=O)O,"InChI=1S/C9H15O6P/c10-7(11)1-4-16(5-2-8(12)13)6-3-9(14)15/h1-6H2,(H,10,11)(H,12,13)(H,14,15)",PZBFGYYEXUXCOF-UHFFFAOYSA-N,250.0606,251.0684,249.0528,106653,119411,Chemical info is verified,
StNorman51,"Tris(1,3-dichloroisopropyl) phosphate",CAS_RN: 13674-87-8,ClCC(CCl)O[P](=O)(OC(CCl)CCl)OC(CCl)CCl,ClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl,"InChI=1S/C9H15Cl6O4P/c10-1-7(2-11)17-20(16,18-8(3-12)4-13)19-9(5-14)6-15/h7-9H,1-6H2",ASLWPAWFJZFCKF-UHFFFAOYSA-N,427.8839,428.8917,426.8761,24388,26177,Chemical info is verified,
StNorman52,Triethyl phosphate,CAS_RN: 78-40-0,CCO[P](=O)(OCC)OCC,CCOP(=O)(OCC)OCC,"InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3",DQWPFSLDHJDLRL-UHFFFAOYSA-N,182.0708,183.0786,181.063,6287,6535,Chemical info is verified,
StNorman53,Tributyl phosphate,CAS_RN: 126-73-8,CCCCO[P](=O)(OCCCC)OCCCC,CCCCOP(=O)(OCCCC)OCCCC,"InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3",STCOOQWBFONSKY-UHFFFAOYSA-N,266.1647,267.1725,265.1569,29090,31357,Chemical info is verified,
StNorman54,Tris(2-chloroethyl) phosphate,CAS_RN: 115-96-8,ClCCO[P](=O)(OCCCl)OCCCl,ClCCOP(=O)(OCCCl)OCCCl,"InChI=1S/C6H12Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H2",HQUQLFOMPYWACS-UHFFFAOYSA-N,283.9539,284.9617,282.9461,7994,8295,Chemical info is verified,
StNorman55,Long-chained chloroalkanes (C18-30),CAS_RN: NA,[O-][N+](=O)C(Cl)(Cl)Cl.[O-][N+](=O)C(Cl)(Cl)Cl,O=N(=O)C(Cl)(Cl)Cl,"InChI=1S/CCl3NO2/c2-1(3,4)5(6)7",LFHISGNCFUNFFM-UHFFFAOYSA-N,162.8995,163.9073,161.8916,13861343,6423,Chemical info is not verified,MIXTURE
StNorman56,"Medium-chained chloroalkanes, (C14-17)",CAS_RN: 63449-39-8,CCCC(Cl)CCCC(Cl)CCC(Cl)CCC(Cl)CCC(Cl)CCCC(Cl)CCC,CCCC(Cl)CCCC(Cl)CCC(Cl)CCC(Cl)CCC(Cl)CCCC(Cl)CCC,"InChI=1S/C24H44Cl6/c1-3-7-19(25)9-5-11-21(27)13-15-23(29)17-18-24(30)16-14-22(28)12-6-10-20(26)8-4-2/h19-24H,3-18H2,1-2H3",QKUNKVYPGIOQNP-UHFFFAOYSA-N,542.1574,543.1652,541.1496,4447439,6537497,Chemical info is not verified,MIXTURE
StNorman57,"Technical polychlorinated alkanes products (Alkanes, chloro)",CAS_RN: 61788-76-9,CCCC(Cl)CCC(Cl)CC(Cl)C(Cl)CCC(Cl)CCC(Cl)C(Cl)CC(C)Cl,CCCC(Cl)CCC(Cl)CC(Cl)C(Cl)CCC(Cl)CCC(Cl)C(Cl)CC(C)Cl,"InChI=1S/C20H34Cl8/c1-3-4-14(22)5-6-16(24)12-20(28)18(26)10-8-15(23)7-9-17(25)19(27)11-13(2)21/h13-20H,3-12H2,1-2H3",GHPXWFDSOBCWEE-UHFFFAOYSA-N,554.0169,555.0247,553.009,17215479,22833341,Chemical info is not verified,MIXTURE
StNorman58,Acetylcedrene,CAS_RN: 32388-55-9,CC1CCC2C(C)(C)C3CC12CC(=C3C)C(C)=O,CC1CCC2C(C)(C)C3CC12CC(=C3C)C(=O)C,"InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3",YBUIAJZFOGJGLJ-UHFFFAOYSA-N,246.1984,247.2062,245.1905,17215577,107065,Chemical info is verified,
StNorman59,Benzylacetate,CAS_RN: 140-11-4,CC(=O)OCc1ccccc1,CC(=O)OCc1ccccc1,"InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3",QUKGYYKBILRGFE-UHFFFAOYSA-N,150.0681,151.0759,149.0603,13850405,8785,Chemical info is verified,
StNorman60,Benzylsalicylate,CAS_RN: 118-58-1,Oc1ccccc1C(=O)OCc2ccccc2,Oc1ccccc1C(=O)OCc1ccccc1,"InChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2",ZCTQGTTXIYCGGC-UHFFFAOYSA-N,228.0786,229.0865,227.0708,8060,8363,Chemical info is verified,
StNorman61,Camphor,CAS_RN: 76-22-2,CC1(C)C2CCC1(C)C(=O)C2,CC1(C)C2CCC1(C)C(=O)C2,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3",DSSYKIVIOFKYAU-UHFFFAOYSA-N,152.1201,153.1279,151.1123,2441,2537,Chemical info is verified,
StNorman62,g-Methylionone,CAS_RN: 127-51-5,CC(=O)C(\C)=C/C1C(=CCCC1(C)C)C,CC(=O)/C(=C\C1C(=CCCC1(C)C)C)/C,"InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9-",JRJBVWJSTHECJK-LUAWRHEFSA-N,206.1671,207.1749,205.1592,4522510,5356787,Chemical info is verified,
StNorman63,Hexylcinnamaldehyde,CAS_RN: 101-86-0,CCCCCC\C(C=O)=C/c1ccccc1,CCCCCC/C(=C\c1ccccc1)/C=O,"InChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+",GUUHFMWKWLOQMM-NTCAYCPXSA-N,216.1514,217.1592,215.1436,1267362,1550884,Chemical info is verified,
StNorman64,Isoborneol,CAS_RN: 124-76-5,CC1(C)[C@H]2CC[C@@]1(C)[C@H](O)C2,CC1(C)C2CCC1(C)C(O)C2,"InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3",DTGKSKDOIYIVQL-UHFFFAOYSA-N,154.1358,155.1436,153.1279,9654,64685,Chemical info is verified,
StNorman65,Isobornylacetate,CAS_RN: 125-12-2,CC(=O)O[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C,CC(=O)OC1CC2CCC1(C)C2(C)C,"InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3",KGEKLUUHTZCSIP-UHFFFAOYSA-N,196.1463,197.1542,195.1385,5323219,6448,Chemical info is verified,
StNorman66,Isoquinoline,CAS_RN: 119-65-3,c1ccc2cnccc2c1,c1ccc2cnccc2c1,InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H,AWJUIBRHMBBTKR-UHFFFAOYSA-N,129.0578,130.0657,128.05,8098,8405,Chemical info is verified,
StNorman67,Methyldihydrojasmonate (Methyl 3-oxo-2-pentylcyclopentaneacetate),CAS_RN: 24851-98-7,CCCCCC1C(CCC1=O)CC(=O)OC,CCCCCC1C(CCC1=O)CC(=O)OC,"InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3",KVWWIYGFBYDJQC-UHFFFAOYSA-N,226.1569,227.1647,225.1491,1376699,102861,Chemical info is verified,
StNorman68,Methylsalicylate,CAS_RN: 119-36-8,COC(=O)c1ccccc1O,COC(=O)c1ccccc1O,"InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3",OSWPMRLSEDHDFF-UHFFFAOYSA-N,152.0473,153.0552,151.0395,13848808,4133,Chemical info is verified,
StNorman69,p-t-Bucinal (Lilial),CAS_RN: 80-54-6,CC(Cc1ccc(cc1)C(C)(C)C)C=O,CC(Cc1ccc(cc1)C(C)(C)C)C=O,"InChI=1S/C14H20O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,10-11H,9H2,1-4H3",SDQFDHOLCGWZPU-UHFFFAOYSA-N,204.1514,205.1592,203.1436,199342,228987,Chemical info is verified,
StNorman70,alpha-Terpineol,CAS_RN: 98-55-5,CC1=CC[C@@H](CC1)C(C)(C)O,CC1=CCC(CC1)C(C)(C)O,"InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3",WUOACPNHFRMFPN-UHFFFAOYSA-N,154.1358,155.1436,153.1279,13850142,17100,Chemical info is verified,
StNorman71,Musk ketone,CAS_RN: 81-14-1,CC(=O)c1c(C)c(c(c(c1C)[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O,CC(=O)c1c(C)c(c(c(c1C)N(=O)=O)C(C)(C)C)N(=O)=O,"InChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3",WXCMHFPAUCOJIG-UHFFFAOYSA-N,294.1216,295.1294,293.1137,6417,6669,Chemical info is verified,
StNorman72,Musk xylene,CAS_RN: 81-15-2,Cc1c(c(C)c(c(c1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O)[N+]([O-])=O,Cc1c(c(C)c(c(c1N(=O)=O)C(C)(C)C)N(=O)=O)N(=O)=O,"InChI=1S/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3",XMWRWTSZNLOZFN-UHFFFAOYSA-N,297.0961,298.1039,296.0883,56123,62329,Chemical info is verified,
StNorman73,Tonalide,CAS_RN: 1506-02-1,CC1CC(C)(C)c2cc(C(C)=O)c(C)cc2C1(C)C,CC1CC(C)(C)c2cc(C(=O)C)c(C)cc2C1(C)C,"InChI=1S/C18H26O/c1-11-8-16-15(9-14(11)13(3)19)17(4,5)10-12(2)18(16,6)7/h8-9,12H,10H2,1-7H3",DNRJTBAOUJJKDY-UHFFFAOYSA-N,258.1984,259.2062,257.1905,80719,89440,Chemical info is verified,
StNorman74,Galaxolide,CAS_RN: 1222-05-5,CC1COCc2cc3c(cc12)C(C)(C)C(C)C3(C)C,CC1COCc2cc3c(cc12)C(C)(C)C(C)C3(C)C,"InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3",ONKNPOPIGWHAQC-UHFFFAOYSA-N,258.1984,259.2062,257.1905,82618,91497,Chemical info is not verified,
StNorman75,Boisvelone / Iso-E super,CAS_RN: 54464-57-2,CC1CC2=C(CC1(C)C(C)=O)C(C)(C)CCC2,CC1CC2=C(CC1(C)C(=O)C)C(C)(C)CCC2,"InChI=1S/C16H26O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h11H,6-10H2,1-5H3",FVUGZKDGWGKCFE-UHFFFAOYSA-N,234.1984,235.2062,233.1905,97308,108242,Chemical info is verified,
StNorman76,Methyl-tert-butyl ether,CAS_RN: 1634-04-4,COC(C)(C)C,COC(C)(C)C,"InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3",BZLVMXJERCGZMT-UHFFFAOYSA-N,88.0888,89.0966,87.081,14672,15413,Chemical info is verified,
StNorman77,2-(N-ethylperfluorooctanesulfonamido)-ethyl alcohol,CAS_RN: 1691-99-2,CCN(CCO)[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C12H10F17NO3S/c1-2-30(3-4-31)34(32,33)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h31H,2-4H2,1H3",HUFHNYZNTFSKCT-UHFFFAOYSA-N,571.011,572.0188,570.0032,61239,74322,Chemical info is not verified,
StNorman78,2-(N-methylperfluorooctanesulfonamido)-ethyl alcohol,CAS_RN: 24448-09-7,CN(CCO)[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C11H8F17NO3S/c1-29(2-3-30)33(31,32)11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h30H,2-3H2,1H3",PLGACQRCZCVKGK-UHFFFAOYSA-N,556.9953,558.0032,555.9875,81716,90507,Chemical info is verified,
StNorman79,6:2 Fluorotelomer sulfonate (anion),CAS_RN: 425670-75-3,C(CS(=O)(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,C(CS(=O)(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C8H5F13O3S/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H,22,23,24)",VIONGDJUYAYOPU-UHFFFAOYSA-N,427.9752,428.9831,427.9752,NA,119688,Chemical info is not verified,
StNorman80,N-ethylperfluorooctanesulfonamide,CAS_RN: 4151-50-2,CCN[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C10H6F17NO2S/c1-2-28-31(29,30)10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h28H,2H2,1H3",CCEKAJIANROZEO-UHFFFAOYSA-N,526.9848,527.9926,525.977,70194,77797,Chemical info is verified,
StNorman81,N-methylperfluorooctanesulfonamide,CAS_RN: 31506-32-8,CN[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C9H4F17NO2S/c1-27-30(28,29)9(25,26)7(20,21)5(16,17)3(12,13)2(10,11)4(14,15)6(18,19)8(22,23)24/h27H,1H3",SRMWNTGHXHOWBT-UHFFFAOYSA-N,512.9691,513.977,511.9613,2298910,3034468,Chemical info is verified,
StNorman82,N-methylperfluorooctanesulfonamidoethyl acrylate,CAS_RN: 25268-77-3,CN(CCOC(=O)C=C)[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C14H10F17NO4S/c1-3-6(33)36-5-4-32(2)37(34,35)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29/h3H,1,4-5H2,2H3",RTJZWOGSCLVJLD-UHFFFAOYSA-N,611.0059,612.0137,609.9981,82503,91369,Chemical info is verified,
StNorman83,Perfluorobutanesulfonate (anion),CAS_RN: 45187-15-3,C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F,C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F,"InChI=1S/C4HF9O3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H,14,15,16)",JGTNAGYHADQMCM-UHFFFAOYSA-N,299.9503,300.9581,298.9424,2971001,67815,Chemical info is not verified,
StNorman84,Perfluorodecane sulfonate (anion)+,CAS_RN: 126105-34-8,C(C(C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C10HF21O3S/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)35(32,33)34/h(H,32,33,34)",HYWZIAVPBSTISZ-UHFFFAOYSA-N,599.9311,600.9389,598.9233,2689044,67636,Chemical info is not verified,
StNorman85,Perfluorodecanoic acid,CAS_RN: 335-76-2,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31)",PCIUEQPBYFRTEM-UHFFFAOYSA-N,513.9673,514.9751,512.9595,9181,9555,Chemical info is verified,
StNorman86,Perfluorododecanoic acid,CAS_RN: 307-55-1,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C12HF23O2/c13-2(14,1(36)37)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)35/h(H,36,37)",CXGONMQFMIYUJR-UHFFFAOYSA-N,613.9609,614.9688,612.9531,60867,67545,Chemical info is verified,
StNorman87,Perfluoroheptanoic acid,CAS_RN: 375-85-9,N.OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C7HF13O2/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h(H,21,22)",ZWBAMYVPMDSJGQ-UHFFFAOYSA-N,363.9769,364.9847,362.9691,61135,67818,Chemical info is verified,
StNorman88,Perfluorohexanoic acid,CAS_RN: 307-24-4,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C6HF11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H,18,19)",PXUULQAPEKKVAH-UHFFFAOYSA-N,313.9801,314.9879,312.9723,60864,67542,Chemical info is verified,
StNorman89,Perfluorohexane sulfonate (anion),CAS_RN: 108427-53-8,FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C6HF13O3S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H,20,21,22)",QZHDEAJFRJCDMF-UHFFFAOYSA-N,399.9439,400.9517,398.9361,10654380,67734,Chemical info is not verified,
StNorman90,Perfluorononanoic acid,CAS_RN: 375-95-1,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C9HF17O2/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h(H,27,28)",UZUFPBIDKMEQEQ-UHFFFAOYSA-N,463.9705,464.9783,462.9627,61138,67821,Chemical info is verified,
StNorman91,Perfluorooctane sulfonamide,CAS_RN: 754-91-6,N[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C8H2F17NO2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H2,26,27,28)",RRRXPPIDPYTNJG-UHFFFAOYSA-N,498.9535,499.9613,497.9457,62984,69785,Chemical info is verified,
StNorman92,Perfluorooctanesulfonyl fluoride,CAS_RN: 307-35-7,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[S](F)(=O)=O,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F,"InChI=1S/C8F18O2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28",BHFJBHMTEDLICO-UHFFFAOYSA-N,501.9332,502.941,500.9253,9019,9388,Chemical info is verified,
StNorman93,Perfluorooctanoic acid,CAS_RN: 335-67-1,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)",SNGREZUHAYWORS-UHFFFAOYSA-N,413.9737,414.9815,412.9659,9180,9554,Chemical info is verified,
StNorman94,Perfluorotetradecanoic acid,CAS_RN: 376-06-7,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C14HF27O2/c15-2(16,1(42)43)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)41/h(H,42,43)",RUDINRUXCKIXAJ-UHFFFAOYSA-N,713.9545,714.9624,712.9467,61139,67822,Chemical info is verified,
StNorman95,Perfluoro-n-undecanoic acid,CAS_RN: 2058-94-8,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C11HF21O2/c12-2(13,1(33)34)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h(H,33,34)",SIDINRCMMRKXGQ-UHFFFAOYSA-N,563.9641,564.9719,562.9563,69649,77222,Chemical info is verified,
StNorman96,2-(Perfluorobutyl)ethanol,CAS_RN: 2043-47-2,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C6H5F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h16H,1-2H2",JCMNMOBHVPONLD-UHFFFAOYSA-N,264.0197,265.0275,263.0118,67446,74883,Chemical info is verified,
StNorman97,2-(Perfluorohexyl)ethanol,CAS_RN: 647-42-7,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C8H5F13O/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h22H,1-2H2",GRJRKPMIRMSBNK-UHFFFAOYSA-N,364.0133,365.0211,363.0055,62741,69537,Chemical info is verified,
StNorman98,2-(Perfluoro-n-octyl)ethanol,CAS_RN: 678-39-7,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C10H5F17O/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h28H,1-2H2",JJUBFBTUBACDHW-UHFFFAOYSA-N,464.0069,465.0147,462.9991,62822,69619,Chemical info is verified,
StNorman99,2-(Perfluorodecyl)ethanol,CAS_RN: 865-86-1,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C12H5F21O/c13-3(14,1-2-34)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h34H,1-2H2",FLXYIZWPNQYPIT-UHFFFAOYSA-N,564.0005,565.0083,562.9927,63272,70083,Chemical info is verified,
StNorman100,2-(Perfluorododecyl)ethanol,CAS_RN: 39239-77-5,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C14H5F25O/c15-3(16,1-2-40)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h40H,1-2H2",QBBJBWKVSJWYQK-UHFFFAOYSA-N,663.9941,665.0019,662.9863,142569,162368,Chemical info is verified,
StNorman101,4-Methylbenzylidene camphor,CAS_RN: 36861-47-9,Cc1ccc(cc1)\C=C2/C3CCC(C)(C2=O)C3(C)C,Cc1ccc(cc1)/C=C/1\C2CCC(C)(C1=O)C2(C)C,"InChI=1S/C18H22O/c1-12-5-7-13(8-6-12)11-14-15-9-10-18(4,16(14)19)17(15,2)3/h5-8,11,15H,9-10H2,1-4H3/b14-11+",HEOCBCNFKCOKBX-SDNWHVSQSA-N,254.1671,255.1749,253.1592,4939160,6434217,Chemical info is not verified,
StNorman102,Benzophenone,CAS_RN: 119-61-9,O=C(c1ccccc1)c2ccccc2,O=C(c1ccccc1)c1ccccc1,InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,RWCCWEUUXYIKHB-UHFFFAOYSA-N,182.0732,183.081,181.0653,2991,3102,Chemical info is verified,
StNorman103,Oxybenzone,CAS_RN: 131-57-7,COc1ccc(c(O)c1)C(=O)c2ccccc2,COc1ccc(c(O)c1)C(=O)c1ccccc1,"InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3",DXGLGDHPHMLXJC-UHFFFAOYSA-N,228.0786,229.0865,227.0708,4471,4632,Chemical info is verified,
StNorman104,Butyl methoxydibenzoylmethane,CAS_RN: 87075-14-7,COc1ccc(cc1)C(=O)CC(=O)c2ccc(cc2)C(C)(C)C,COc1ccc(cc1)C(=O)CC(=O)c1ccc(cc1)C(C)(C)C,"InChI=1S/C20H22O3/c1-20(2,3)16-9-5-14(6-10-16)18(21)13-19(22)15-7-11-17(23-4)12-8-15/h5-12H,13H2,1-4H3",XNEFYCZVKIDDMS-UHFFFAOYSA-N,310.1569,311.1647,309.1491,8098343,51040,Chemical info is not verified,
StNorman105,Ethylhexyl methoxycinnamate,CAS_RN: 5466-77-3,CCCCC(CC)COC(=O)/C=C/c1ccc(OC)cc1,CCCCC(CC)COC(=O)/C=C/c1ccc(OC)cc1,"InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+",YBGZDTIWKVFICR-JLHYYAGUSA-N,290.1882,291.196,289.1804,4511170,5355130,Chemical info is verified,
StNorman106,"Benzaldehyde, (phenylmethylene)hydrazone (Eusolex)",CAS_RN: 588-68-1,c1ccc(cc1)\C=N\N=C\c2ccccc2,c1ccc(cc1)/C=N/N=C/c1ccccc1,"InChI=1S/C14H12N2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-12H/b15-11+,16-12+",CWLGEPSKQDNHIO-JOBJLJCHSA-N,208.1,209.1079,207.0922,4482129,5324610,Chemical info is verified,
StNorman107,Homosalate,CAS_RN: 118-56-9,CC1CC(CC(C)(C)C1)OC(=O)c2ccccc2O,CC1CC(CC(C)(C)C1)OC(=O)c1ccccc1O,"InChI=1S/C16H22O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3",WSSJONWNBBTCMG-UHFFFAOYSA-N,262.1569,263.1647,261.1491,8059,8362,Chemical info is verified,
StNorman108,"N,N-Diethyltoluamide",CAS_RN: 134-62-3,CCN(CC)C(=O)c1cccc(C)c1,CCN(CC)C(=O)c1cccc(C)c1,"InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3",MMOXZBCLCQITDF-UHFFFAOYSA-N,191.131,192.1388,190.1232,4133,4284,Chemical info is verified,
StNorman109,Octocrylene,CAS_RN: 80135-31-5,CCCCC(CC)COC(=O)C(C#N)=C(c1ccccc1)c2ccccc2,CCCCC(CC)COC(=O)/C(=C(\c1ccccc1)/c1ccccc1)/C#N,"InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3",FMJSMJQBSVNSBF-UHFFFAOYSA-N,361.2042,362.212,360.1964,21165,22571,Chemical info is verified,
StNorman110,Picaridin (Bayrepel),CAS_RN: 658051-75-3,CCC(C)OC(=O)N1CCCCC1CCO,CCC(C)OC(=O)N1CCCCC1CCO,"InChI=1S/C12H23NO3/c1-3-10(2)16-12(15)13-8-5-4-6-11(13)7-9-14/h10-11,14H,3-9H2,1-2H3",QLHULAHOXSSASE-UHFFFAOYSA-N,229.1678,230.1756,228.16,111359,125098,Chemical info is verified,
StNorman111,Octamethylcyclotetrasiloxane (D4),CAS_RN: 556-67-2,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,"InChI=1S/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3",HMMGMWAXVFQUOA-UHFFFAOYSA-N,296.0752,297.083,295.0673,10696,11169,Chemical info is verified,
StNorman112,Decamethylcyclopentasiloxane (D5),CAS_RN: 541-02-6,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,"InChI=1S/C10H30O5Si5/c1-16(2)11-17(3,4)13-19(7,8)15-20(9,10)14-18(5,6)12-16/h1-10H3",XMSXQFUHVRWGNA-UHFFFAOYSA-N,370.094,371.1018,369.0861,10451,10913,Chemical info is verified,
StNorman113,Dodecamethylcyclohexasiloxane (D6),CAS_RN: 540-97-6,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,"InChI=1S/C12H36O6Si6/c1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h1-12H3",IUMSDRXLFWAGNT-UHFFFAOYSA-N,444.1127,445.1206,443.1049,10449,10911,Chemical info is verified,
StNorman114,Hexamethyldisiloxane (HM or HMDS),CAS_RN: 107-46-0,C[Si](C)(C)O[Si](C)(C)C,C[Si](C)(C)O[Si](C)(C)C,"InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3",UQEAIHBTYFGYIE-UHFFFAOYSA-N,162.0896,163.0974,161.0818,23150,24764,Chemical info is verified,
StNorman115,Octamethyltrisiloxane (MDM),CAS_RN: 107-51-7,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,"InChI=1S/C8H24O2Si3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h1-8H3",CXQXSVUQTKDNFP-UHFFFAOYSA-N,236.1084,237.1162,235.1006,23101,24705,Chemical info is verified,
StNorman116,Decamethyltetrasiloxane (MD2M),CAS_RN: 141-62-8,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,"InChI=1S/C10H30O3Si4/c1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h1-10H3",YFCGDEUVHLPRCZ-UHFFFAOYSA-N,310.1272,311.135,309.1194,8520,8852,Chemical info is verified,
StNorman117,Dodecamethylpentasiloxane (MD3M),CAS_RN: 141-63-9,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,"InChI=1S/C12H36O4Si5/c1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h1-12H3",FBZANXDWQAVSTQ-UHFFFAOYSA-N,384.146,385.1538,383.1382,8521,8853,Chemical info is verified,
StNorman118,Methyl paraben,CAS_RN: 99-76-3,COC(=O)c1ccc(O)cc1,COC(=O)c1ccc(O)cc1,"InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3",LXCFILQKKLGQFO-UHFFFAOYSA-N,152.0473,153.0552,151.0395,7176,7456,Chemical info is verified,
StNorman119,Ethyl paraben,CAS_RN: 120-47-8,CCOC(=O)c1ccc(O)cc1,CCOC(=O)c1ccc(O)cc1,"InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3",NUVBSKCKDOMJSU-UHFFFAOYSA-N,166.063,167.0708,165.0552,13846749,8434,Chemical info is verified,
StNorman120,Propyl paraben,CAS_RN: 94-13-3,CCCOC(=O)c1ccc(O)cc1,CCCOC(=O)c1ccc(O)cc1,"InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3",QELSKZZBTMNZEB-UHFFFAOYSA-N,180.0786,181.0865,179.0708,6907,7175,Chemical info is verified,
StNorman121,Isobutyl paraben,CAS_RN: 4247-02-3,CC(C)COC(=O)c1ccc(O)cc1,CC(C)COC(=O)c1ccc(O)cc1,"InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3",XPJVKCRENWUEJH-UHFFFAOYSA-N,194.0943,195.1021,193.0865,19066,20240,Chemical info is verified,
StNorman122,Aminotriazole,CAS_RN: 61-82-5,Nc1[nH]ncn1,Nc1[nH]ncn1,"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)",KLSJWNVTNUYHDU-UHFFFAOYSA-N,84.0436,85.0514,83.0358,1577,1639,Chemical info is not verified,
StNorman123,Bentazone,CAS_RN: 25057-89-0,CC(C)N1C(=O)c2ccccc2N[S]1(=O)=O,CC(C)N1C(=O)c2ccccc2NS1(=O)=O,"InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3",ZOMSMJKLGFBRBS-UHFFFAOYSA-N,240.0569,241.0647,239.049,2238,2328,Chemical info is verified,
StNorman124,Bromofos-ethyl,CAS_RN: 4824-78-6,CCO[P](=S)(OCC)Oc1cc(Cl)c(Br)cc1Cl,CCOP(=S)(OCC)Oc1cc(Cl)c(Br)cc1Cl,"InChI=1S/C10H12BrCl2O3PS/c1-3-14-17(18,15-4-2)16-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3",KWGUFOITWDSNQY-UHFFFAOYSA-N,391.8805,392.8883,390.8727,19722,20965,Chemical info is verified,
StNorman125,Carbazole,CAS_RN: 86-74-8,[nH]1c2ccccc2c3ccccc13,[nH]1c2ccccc2c2ccccc12,"InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H",UJOBWOGCFQCDNV-UHFFFAOYSA-N,167.0735,168.0813,166.0657,6593,6854,Chemical info is verified,
StNorman126,Carbendazim,CAS_RN: 10605-21-7,COC(=O)Nc1[nH]c2ccccc2n1,COC(=O)Nc1[nH]c2ccccc2n1,"InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)",TWFZGCMQGLPBSX-UHFFFAOYSA-N,191.0695,192.0773,190.0617,23741,25429,Chemical info is verified,
StNorman127,Carboxin,CAS_RN: 5234-68-4,CC1=C(SCCO1)C(=O)Nc2ccccc2,CC1=C(SCCO1)C(=O)Nc1ccccc1,"InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)",GYSSRZJIHXQEHQ-UHFFFAOYSA-N,235.0667,236.0745,234.0589,20027,21307,Chemical info is verified,
StNorman128,Glyphosate,CAS_RN: 1071-83-6,OC(=O)CNC[P](O)(O)=O,OC(=O)CNCP(=O)(O)O,"InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)",XDDAORKBJWWYJS-UHFFFAOYSA-N,169.014,170.0218,168.0062,3376,NA,Chemical info is not verified,
StNorman129,Chloridazon,CAS_RN: 1698-60-8,NC1=C(Cl)C(=O)N(N=C1)c2ccccc2,Nc1c(Cl)c(=O)n(nc1)c1ccccc1,"InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2",WYKYKTKDBLFHCY-UHFFFAOYSA-N,221.0356,222.0434,220.0278,14790,15546,Chemical info is verified,
StNorman130,Clopyralid,CAS_RN: 1702-17-6,OC(=O)c1nc(Cl)ccc1Cl,OC(=O)c1nc(Cl)ccc1Cl,"InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)",HUBANNPOLNYSAD-UHFFFAOYSA-N,190.9541,191.9619,189.9463,14797,15553,Chemical info is verified,
StNorman131,Chlorpropham,CAS_RN: 101-21-3,CC(C)OC(=O)Nc1cccc(Cl)c1,CC(C)OC(=O)Nc1cccc(Cl)c1,"InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)",CWJSHJJYOPWUGX-UHFFFAOYSA-N,213.0557,214.0635,212.0478,2627,2728,Chemical info is verified,
StNorman132,Chlorotoluron,CAS_RN: 15545-48-9,CN(C)C(=O)Nc1ccc(C)c(Cl)c1,CN(C)C(=O)Nc1ccc(C)c(Cl)c1,"InChI=1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)",JXCGFZXSOMJFOA-UHFFFAOYSA-N,212.0716,213.0795,211.0638,25472,27375,Chemical info is verified,
StNorman133,"2,4-Dichlorophenoxyacetic acid",CAS_RN: 94-75-7,OC(=O)COc1ccc(Cl)cc1Cl,OC(=O)COc1ccc(Cl)cc1Cl,"InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)",OVSKIKFHRZPJSS-UHFFFAOYSA-N,219.9694,220.9772,218.9616,1441,1486,Chemical info is verified,
StNorman134,Dicamba,CAS_RN: 1918-00-9,COc1c(Cl)ccc(Cl)c1C(O)=O,COc1c(Cl)ccc(Cl)c1C(=O)O,"InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)",IWEDIXLBFLAXBO-UHFFFAOYSA-N,219.9694,220.9772,218.9616,2922,3030,Chemical info is verified,
StNorman135,Desethylterbutylazin,CAS_RN: 30125-63-4,CC(C)(C)Nc1nc(N)nc(Cl)n1,CC(C)(C)Nc1nc(N)nc(Cl)n1,"InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)",LMKQNTMFZLAJDV-UHFFFAOYSA-N,201.0781,202.0859,200.0703,97278,108201,Chemical info is verified,
StNorman136,Desmedipham,CAS_RN: 13684-56-5,CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1,CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1,"InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19)",WZJZMXBKUWKXTQ-UHFFFAOYSA-N,300.111,301.1188,299.1032,23133,24743,Chemical info is verified,
StNorman137,Desmetryn,CAS_RN: 1014-69-3,CNc1nc(NC(C)C)nc(SC)n1,CNc1nc(NC(C)C)nc(SC)n1,"InChI=1S/C8H15N5S/c1-5(2)10-7-11-6(9-3)12-8(13-7)14-4/h5H,1-4H3,(H2,9,10,11,12,13)",HCRWJJJUKUVORR-UHFFFAOYSA-N,213.1048,214.1126,212.097,13302,13904,Chemical info is verified,
StNorman138,Diazinon,CAS_RN: 333-41-5,CCO[P](=S)(OCC)Oc1cc(C)nc(n1)C(C)C,CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C,"InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3",FHIVAFMUCKRCQO-UHFFFAOYSA-N,304.101,305.1089,303.0932,2909,3017,Chemical info is verified,
StNorman139,Dichlobenil,CAS_RN: 1194-65-6,Clc1cccc(Cl)c1C#N,Clc1cccc(Cl)c1C#N,InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,YOYAIZYFCNQIRF-UHFFFAOYSA-N,170.9643,171.9721,169.9564,2923,3031,Chemical info is verified,
StNorman140,Dichlorvos,CAS_RN: 62-73-7,COP(=O)(OC)OC=C(Cl)Cl,COP(=O)(OC)OC=C(Cl)Cl,"InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3",OEBRKCOSUFCWJD-UHFFFAOYSA-N,219.9459,220.9537,218.9381,2931,3039,Chemical info is verified,
StNorman141,Dinoterb,CAS_RN: 1420-07-1,CC(C)(C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O,CC(C)(C)c1cc(cc(c1O)N(=O)=O)N(=O)=O,"InChI=1S/C10H12N2O5/c1-10(2,3)7-4-6(11(14)15)5-8(9(7)13)12(16)17/h4-5,13H,1-3H3",IIPZYDQGBIWLBU-UHFFFAOYSA-N,240.0746,241.0824,239.0668,14274,14994,Chemical info is verified,
StNorman142,Endosulfan-sulfate,CAS_RN: 1031-07-8,ClC1=C(Cl)C2(Cl)C3CO[S](=O)(=O)OCC3C1(Cl)C2(Cl)Cl,ClC1=C(Cl)C2(Cl)C3COS(=O)(=O)OCC3C1(Cl)C2(Cl)Cl,"InChI=1S/C9H6Cl6O4S/c10-5-6(11)8(13)4-2-19-20(16,17)18-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2",AAPVQEMYVNZIOO-UHFFFAOYSA-N,419.8118,420.8196,418.804,16736500,13940,Chemical info is verified,
StNorman143,Ethoprophos,CAS_RN: 13194-48-4,CCCS[P](=O)(OCC)SCCC,CCCSP(=O)(OCC)SCCC,"InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3",VJYFKVYYMZPMAB-UHFFFAOYSA-N,242.0564,243.0642,241.0486,3173,3289,Chemical info is verified,
StNorman144,Ethofumesate,CAS_RN: 26225-79-6,CCOC1Oc2ccc(O[S](C)(=O)=O)cc2C1(C)C,CCOC1Oc2ccc(OS(=O)(=O)C)cc2C1(C)C,"InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3",IRCMYGHHKLLGHV-UHFFFAOYSA-N,286.0875,287.0953,285.0797,30816,33360,Chemical info is verified,
StNorman145,Fluroxypyr,CAS_RN: 69377-81-7,Nc1c(Cl)c(F)nc(OCC(O)=O)c1Cl,Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl,"InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14)",MEFQWPUMEMWTJP-UHFFFAOYSA-N,253.9661,254.974,252.9583,45757,50465,Chemical info is verified,
StNorman146,Eptenofos,CAS_RN: 23560-59-0,CO[P](=O)(OC)OC1=C(Cl)C2C=CCC12,COP(=O)(OC)OC1=C(Cl)C2C=CCC12,"InChI=1S/C9H12ClO4P/c1-12-15(11,13-2)14-9-7-5-3-4-6(7)8(9)10/h3-4,6-7H,5H2,1-2H3",GBAWQJNHVWMTLU-UHFFFAOYSA-N,250.0162,251.024,249.0083,10438750,62773,Chemical info is not verified,
StNorman147,Iodofenphos,CAS_RN: 18181-70-9,CO[P](=S)(OC)Oc1cc(Cl)c(I)cc1Cl,COP(=S)(OC)Oc1cc(Cl)c(I)cc1Cl,"InChI=1S/C8H8Cl2IO3PS/c1-12-15(16,13-2)14-8-4-5(9)7(11)3-6(8)10/h3-4H,1-2H3",LFVLUOAHQIVABZ-UHFFFAOYSA-N,411.8354,412.8432,410.8275,26915,28935,Chemical info is verified,
StNorman148,Imidaclopride,CAS_RN: 138261-41-3,[O-][N+](=O)NC1=NCCN1Cc2ccc(Cl)nc2,O=N(=O)NC1=NCCN1Cc1ccc(Cl)nc1,"InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)",YWTYJOPNNQFBPC-UHFFFAOYSA-N,255.0523,256.0601,254.0445,77934,86418,Chemical info is not verified,
StNorman149,d-Limonene,CAS_RN: 5989-27-5,CC(=C)[C@@H]1CCC(=CC1)C,CC(=C)C1CCC(=CC1)C,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3",XMGQYMWWDOXHJM-UHFFFAOYSA-N,136.1252,137.133,135.1174,389747,22311,Chemical info is verified,
StNorman150,2-methyl-4-chlorophenoxyacetic acid,CAS_RN: 94-74-6,Cc1cc(Cl)ccc1OCC(O)=O,Cc1cc(Cl)ccc1OCC(=O)O,"InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)",WHKUVVPPKQRRBV-UHFFFAOYSA-N,200.024,201.0318,199.0162,6935,7204,Chemical info is verified,
StNorman151,4-(4-chloro-o-tolyloxy) butyric acid,CAS_RN: 94-81-5,Cc1cc(Cl)ccc1OCCCC(O)=O,Cc1cc(Cl)ccc1OCCCC(=O)O,"InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)",LLWADFLAOKUBDR-UHFFFAOYSA-N,228.0553,229.0631,227.0475,6938,7207,Chemical info is verified,
StNorman152,Mecoprop,CAS_RN: 7085-19-0,CC(Oc1ccc(Cl)cc1C)C(O)=O,CC(Oc1ccc(Cl)cc1C)C(=O)O,"InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)",WNTGYJSOUMFZEP-UHFFFAOYSA-N,214.0397,215.0475,213.0318,6886,7153,Chemical info is verified,
StNorman153,Metalaxyl,CAS_RN: 57837-19-1,COCC(=O)N(C(C)C(=O)OC)c1c(C)cccc1C,COCC(=O)N(C(C)C(=O)OC)c1c(C)cccc1C,"InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3",ZQEIXNIJLIKNTD-UHFFFAOYSA-N,279.1471,280.1549,278.1392,38839,42586,Chemical info is verified,
StNorman154,Methomyl,CAS_RN: 16752-77-5,CNC(=O)O\N=C(/C)SC,CNC(=O)O/N=C(\C)/SC,"InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4+",UHXUZOCRWCRNSJ-QPJJXVBHSA-N,162.0463,163.0541,161.0385,3966,5353758,Chemical info is verified,
StNorman155,Metamitron,CAS_RN: 41394-05-2,CC1=NN=C(c2ccccc2)C(=O)N1N,Cc1nnc(c2ccccc2)c(=O)n1N,"InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3",VHCNQEUWZYOAEV-UHFFFAOYSA-N,202.0855,203.0933,201.0776,35563,38854,Chemical info is verified,
StNorman156,Mevinphos,CAS_RN: 7786-34-7,COC(=O)\C=C(/C)O[P](=O)(OC)OC,COC(=O)/C=C(/C)\OP(=O)(OC)OC,"InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5-",GEPDYQSQVLXLEU-WAYWQWQTSA-N,224.045,225.0528,223.0371,4511751,6433175,Chemical info is not verified,
StNorman157,Phenmedipham,CAS_RN: 13684-63-4,COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1,COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1,"InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)",IDOWTHOLJBTAFI-UHFFFAOYSA-N,300.111,301.1188,299.1032,23134,24744,Chemical info is verified,
StNorman158,Prometryn,CAS_RN: 7287-19-6,CSc1nc(NC(C)C)nc(NC(C)C)n1,CSc1nc(NC(C)C)nc(NC(C)C)n1,"InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)",AAEVYOVXGOFMJO-UHFFFAOYSA-N,241.1361,242.1439,240.1283,4760,4929,Chemical info is verified,
StNorman159,Prometon,CAS_RN: 1610-18-0,COc1nc(NC(C)C)nc(NC(C)C)n1,COc1nc(NC(C)C)nc(NC(C)C)n1,"InChI=1S/C10H19N5O/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)",ISEUFVQQFVOBCY-UHFFFAOYSA-N,225.159,226.1668,224.1511,4759,4928,Chemical info is verified,
StNorman160,Secbumeton,CAS_RN: 26259-45-0,CCNc1nc(NC(C)CC)nc(OC)n1,CCNc1nc(NC(C)CC)nc(OC)n1,"InChI=1S/C10H19N5O/c1-5-7(3)12-9-13-8(11-6-2)14-10(15-9)16-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14,15)",ZJMZZNVGNSWOOM-UHFFFAOYSA-N,225.159,226.1668,224.1511,30881,33443,Chemical info is verified,
StNorman161,Terbutryn,CAS_RN: 886-50-0,CCNc1nc(NC(C)(C)C)nc(SC)n1,CCNc1nc(NC(C)(C)C)nc(SC)n1,"InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)",IROINLKCQGIITA-UHFFFAOYSA-N,241.1361,242.1439,240.1283,12874,13450,Chemical info is verified,
StNorman162,Terbuthylazine,CAS_RN: 5915-41-3,CCNc1nc(Cl)nc(NC(C)(C)C)n1,CCNc1nc(Cl)nc(NC(C)(C)C)n1,"InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)",FZXISNSWEXTPMF-UHFFFAOYSA-N,229.1094,230.1172,228.1016,20848,22206,Chemical info is verified,
StNorman163,Thiabendazole,CAS_RN: 148-79-8,[nH]1c2ccccc2nc1c3cscn3,[nH]1c2ccccc2nc1c1cscn1,"InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)",WJCNZQLZVWNLKY-UHFFFAOYSA-N,201.0361,202.0439,200.0282,5237,5430,Chemical info is verified,
StNorman164,Triadimefon,CAS_RN: 43121-43-3,CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2,CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1,"InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3",WURBVZBTWMNKQT-UHFFFAOYSA-N,293.0931,294.1009,292.0853,36029,39385,Chemical info is verified,
StNorman165,Triphenylphosphine oxide,CAS_RN: 791-28-6,O=[P](c1ccccc1)(c2ccccc2)c3ccccc3,O=P(c1ccccc1)(c1ccccc1)c1ccccc1,"InChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",FIQMHBFVRAXMOP-UHFFFAOYSA-N,278.0861,279.0939,277.0782,12549,13097,Chemical info is verified,
StNorman166,Cypermethrin,CAS_RN: 52315-07-8,CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2,CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1,"InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3",KAATUXNTWXVJKI-UHFFFAOYSA-N,415.0742,416.082,414.0664,2809,2912,Chemical info is verified,
StNorman167,Deltamethrin,CAS_RN: 52918-63-5,CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2,CC1(C)C(C=C(Br)Br)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1,"InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3",OWZREIFADZCYQD-UHFFFAOYSA-N,502.9732,503.981,501.9653,37079,2982,Chemical info is not verified,
StNorman168,Permethrin,CAS_RN: 52645-53-1,CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)OCc2cccc(Oc3ccccc3)c2,CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1,"InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3",RLLPVAHGXHCWKJ-UHFFFAOYSA-N,390.0789,391.0868,389.0711,36845,40326,Chemical info is verified,
StNorman169,Sulfonyl urea,CAS_RN: 35507-37-0,NC(=O)N[S](=O)(=O)NC(N)=O,NC(=O)NS(=O)(=O)NC(=O)N,"InChI=1S/C2H6N4O4S/c3-1(7)5-11(9,10)6-2(4)8/h(H3,3,5,7)(H3,4,6,8)",NRCPVGIMMWPWGT-UHFFFAOYSA-N,182.011,183.0188,181.0032,94617,104818,Chemical info is not verified,
StNorman170,"6-Deisopropylatrazine / 6-chloro-N-ethyl-1,3,5-Triazine-2,4-diamine",CAS_RN: 1007-28-9,CCNc1nc(N)nc(Cl)n1,CCNc1nc(N)nc(Cl)n1,"InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11)",IVENSCMCQBJAKW-UHFFFAOYSA-N,173.0468,174.0546,172.039,13278,13878,Chemical info is verified,
StNorman171,Desethylatrazine,CAS_RN: 6190-65-4,CC(C)Nc1nc(N)nc(Cl)n1,CC(C)Nc1nc(N)nc(Cl)n1,"InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)",DFWFIQKMSFGDCQ-UHFFFAOYSA-N,187.0625,188.0703,186.0546,21157,22563,Chemical info is verified,
StNorman172,Dichlofluanid,CAS_RN: 1085-98-9,CN(C)[S](=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1,CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1,"InChI=1S/C9H11Cl2FN2O2S2/c1-13(2)18(15,16)14(17-9(10,11)12)8-6-4-3-5-7-8/h3-7H,1-2H3",WURGXGVFSMYFCG-UHFFFAOYSA-N,331.9623,332.9701,330.9545,13520,14145,Chemical info is verified,
StNorman173,Triclosan,CAS_RN: 3380-34-5,Oc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl,Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl,"InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H",XEFQLINVKFYRCS-UHFFFAOYSA-N,287.9512,288.959,286.9433,5363,5564,Chemical info is verified,
StNorman174,Methyl triclosan,CAS_RN: 4640-01-1,COc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl,COc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl,"InChI=1S/C13H9Cl3O2/c1-17-13-7-9(15)3-5-12(13)18-11-4-2-8(14)6-10(11)16/h2-7H,1H3",NLYDHBBTVWMLFD-UHFFFAOYSA-N,301.9668,302.9746,300.959,545009,627458,Chemical info is verified,
StNorman175,o-Benzyl-p-chlorophenol (Chlorophene),CAS_RN: 120-32-1,Oc1ccc(Cl)cc1Cc2ccccc2,Oc1ccc(Cl)cc1Cc1ccccc1,"InChI=1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2",NCKMMSIFQUPKCK-UHFFFAOYSA-N,218.0498,219.0577,217.042,8118,8425,Chemical info is verified,
StNorman176,Acetaminophen (Paracetamol),CAS_RN: 103-90-2,CC(=O)Nc1ccc(O)cc1,CC(=O)Nc1ccc(O)cc1,"InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)",RZVAJINKPMORJF-UHFFFAOYSA-N,151.0633,152.0712,150.0555,1906,1983,Chemical info is verified,
StNorman177,Acetylsalicylic acid (Aspirin),CAS_RN: 50-78-2,CC(=O)Oc1ccccc1C(O)=O,CC(=O)Oc1ccccc1C(=O)O,"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",BSYNRYMUTXBXSQ-UHFFFAOYSA-N,180.0423,181.0501,179.0344,2157,2244,Chemical info is verified,
StNorman178,Alclofenac,CAS_RN: 22131-79-9,OC(=O)Cc1ccc(OCC=C)c(Cl)c1,OC(=O)Cc1ccc(OCC=C)c(Cl)c1,"InChI=1S/C11H11ClO3/c1-2-5-15-10-4-3-8(6-9(10)12)7-11(13)14/h2-4,6H,1,5,7H2,(H,13,14)",ARHWPKZXBHOEEE-UHFFFAOYSA-N,226.0397,227.0475,225.0318,,30951,Chemical info is not verified,
StNorman179,Codeine,CAS_RN: 76-57-3,COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C,COc1ccc2CC3C4C=CC(O)C5Oc1c2C45CCN3C,"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3",OROGSEYTTFOCAN-UHFFFAOYSA-N,299.1521,300.16,298.1443,4447447,2828,Chemical info is not verified,
StNorman180,Hydrocodone,CAS_RN: 125-29-1,COc1ccc2C[C@@H]3[C@@H]4CCC(=O)[C@@H]5Oc1c2[C@]45CCN3C,COc1ccc2CC3C4CCC(=O)C5Oc1c2C45CCN3C,"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3",LLPOLZWFYMWNKH-UHFFFAOYSA-N,299.1521,300.16,298.1443,4447623,411697,Chemical info is not verified,
StNorman181,Phenazone,CAS_RN: 60-80-0,CN1N(C(=O)C=C1C)c2ccccc2,Cn1n(c(=O)cc1C)c1ccccc1,"InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3",VEQOALNAAJBPNY-UHFFFAOYSA-N,188.095,189.1028,187.0871,2121,2206,Chemical info is verified,
StNorman182,Propyphenazone,CAS_RN: 479-92-5,CC(C)C1=C(C)N(C)N(c2ccccc2)C1=O,CC(C)c1c(C)n(C)n(c2ccccc2)c1=O,"InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3",PXWLVJLKJGVOKE-UHFFFAOYSA-N,230.1419,231.1497,229.1341,3646,3778,Chemical info is verified,
StNorman183,Fenfluramine,CAS_RN: 458-24-2,CCNC(C)Cc1cccc(c1)C(F)(F)F,CCNC(C)Cc1cccc(c1)C(F)(F)F,"InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3",DBGIVFWFUFKIQN-UHFFFAOYSA-N,231.1235,232.1313,230.1157,59217,3337,Chemical info is verified,
StNorman184,Ivermectin,CAS_RN: 70288-86-7,CCC(C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]3C[C@@H](C/C=C(C)/[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C/6CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2.CO[C@H]8C[C@@H](O[C@@H](C)[C@@H]8O)O[C@H]9[C@H](C)O[C@H](C[C@@H]9OC)O[C@H]\%10[C@@H](C)/C=C/C=C/%11CO[C@@H]%12[C@H](O)C(=C[C@@H](C(=O)O[C@H]%13C[C@@H](C/C=C%10C)O[C@@]%14(CC[C@H](C)[C@H](O%14)C(C)C)C%13)[C@]%11%12O)C,CCC(C)C1OC2(CCC1C)CC1CC(C/C=C(/C)\C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)C(C)/C=C\C=C/3\COC4C(O)C(=CC(C(=O)O1)C34O)C)O2,"InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12-,27-15-,32-14-",AZSNMRSAGSSBNP-JHJAMYNOSA-N,874.5079,875.5157,873.5,7988461,21584398,Chemical info is not verified,
StNorman185,Amoxicillin,CAS_RN: 26787-78-0,O.O.O.CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O,CC1(C)SC2C(NC(=O)C(N)c3ccc(O)cc3)C(=O)N2C1C(=O)O,"InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)",LSQZJLSUYDQPKJ-UHFFFAOYSA-N,365.1045,366.1124,364.0967,31006,NA,Chemical info is not verified,
StNorman186,Ampicillin,CAS_RN: 69-53-4,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O,CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O,"InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)",AVKUERGKIZMTKX-UHFFFAOYSA-N,349.1096,350.1175,348.1018,6013,NA,Chemical info is not verified,
StNorman187,Azithromycin,CAS_RN: 83905-01-5,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)C(C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O,"InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3",MQTOSJVFKKJCRP-UHFFFAOYSA-N,748.5085,749.5164,747.5007,10482163,2269,Chemical info is verified,
StNorman188,Chloramphenicol,CAS_RN: 56-75-7,OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)[N+]([O-])=O,OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)N(=O)=O,"InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)",WIIZWVCIJKGZOK-UHFFFAOYSA-N,322.0123,323.0202,321.0045,5744,298,Chemical info is verified,
StNorman189,Chlortetracycline,CAS_RN: 57-62-5,[Cl-].CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(N)/O)C1=O.[H+],CN(C)C1C2CC3C(=C(O)c4c(O)ccc(Cl)c4C3(C)O)C(=O)C2(O)C(=O)/C(=C(/N)\O)/C1=O,"InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26-27,31-33H,6,24H2,1-3H3/b20-13-",WKZUQOQLOHMCQC-MOSHPQCFSA-N,478.1143,479.1221,477.1065,2005815,NA,Chemical info is not verified,
StNorman190,Ciprofloxacin,CAS_RN: 85721-33-1,OC(=O)C1=CN(C2CC2)c3cc(N4CCNCC4)c(F)cc3C1=O,OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O,"InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)",MYSWGUAQZAJSOK-UHFFFAOYSA-N,331.1332,332.141,330.1254,2662,NA,Chemical info is not verified,
StNorman191,Clarithromycin,CAS_RN: 81103-11-9,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(CC(C)C(=O)C(C)C(O)C1(C)O)OC,"InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3",AGOYDEPGAOXOCK-UHFFFAOYSA-N,747.4769,748.4847,746.4691,10342604,4663848,Chemical info is not verified,
StNorman192,Cloxacillin,CAS_RN: 7081-44-9,O.[Na+].Cc1onc(c2ccccc2Cl)c1C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C([O-])=O,Cc1onc(c2ccccc2Cl)c1C(=O)NC1C2SC(C)(C)C(N2C1=O)C(=O)O,"InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)",LQOLIRLGBULYKD-UHFFFAOYSA-N,435.0656,436.0734,434.0577,21949,2814,Chemical info is not verified,
StNorman193,Danofloxacin,CAS_RN: 112398-08-0,CN1C[C@@H]2C[C@H]1CN2c3cc4N(C=C(C(O)=O)C(=O)c4cc3F)C5CC5,CN1CC2CC1CN2c1cc2n(cc(C(=O)O)c(=O)c2cc1F)C1CC1,"InChI=1S/C19H20FN3O3/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26)",QMLVECGLEOSESV-UHFFFAOYSA-N,357.1489,358.1567,356.141,64439,14650736,Chemical info is not verified,
StNorman194,Dicloxacillin,CAS_RN: 3116-76-5,O.[Na+].Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C([O-])=O)c4c(Cl)cccc4Cl,Cc1onc(c1C(=O)NC1C2SC(C)(C)C(N2C1=O)C(=O)O)c1c(Cl)cccc1Cl,"InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)",YFAGHNZHGGCZAX-UHFFFAOYSA-N,469.0266,470.0344,468.0188,2933,3041,Chemical info is not verified,
StNorman195,Doxycycline (anhydrous),CAS_RN: 94088-85-4,[Ca++].[Ca++].C[C@@H]1[C@H]2[C@H]([O-])[C@H]3[C@H](N(C)C)C(=O)[C-](C(N)=O)C(=O)[C@@]3(O)C(=O)[C-]2C(=O)c4c([O-])cccc14,CC1C2C(O)C3C(N(C)C)C(=O)C(C(=O)N)C(=O)C3(O)C(=O)C2C(=O)c2c(O)cccc12,"InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,12-15,17,25,27,32H,1-3H3,(H2,23,31)",VXVNYCRICCVPTD-UHFFFAOYSA-N,444.1533,445.1611,443.1454,4515107,54416524,Chemical info is not verified,
StNorman196,Doxycycline (monohydrate),CAS_RN: 564-25-0,O.O.[Cl-].C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=O)C(=C(N)/O)/C(=O)[C@@]3(O)C(=O)C2=C(O)c4c(O)cccc14.[H+],CC1C2C(O)C3C(N(C)C)C(=O)/C(=C(\N)/O)/C(=O)C3(O)C(=O)C2=C(O)c2c(O)cccc12,"InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25-27,31-32H,23H2,1-3H3/b21-13-",UEVKMCOZLJYVNG-BKUYFWCQSA-N,444.1533,445.1611,443.1454,4444486,NA,Chemical info is not verified,
StNorman197,Enoxacin,CAS_RN: 74011-58-8,CCN1C=C(C(O)=O)C(=O)c2cc(F)c(nc12)N3CCNCC3,CCn1cc(C(=O)O)c(=O)c2cc(F)c(nc12)N1CCNCC1,"InChI=1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)",IDYZIJYBMGIQMJ-UHFFFAOYSA-N,320.1285,321.1363,319.1206,3116,NA,Chemical info is not verified,
StNorman198,Enrofloxacin,CAS_RN: 93106-60-6,CCN1CCN(CC1)c2cc3N(C=C(C(O)=O)C(=O)c3cc2F)C4CC4,CCN1CCN(CC1)c1cc2n(cc(C(=O)O)c(=O)c2cc1F)C1CC1,"InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)",SPFYMRJSYKOXGV-UHFFFAOYSA-N,359.1645,360.1723,358.1567,64326,NA,Chemical info is not verified,
StNorman199,Erythromycin,CAS_RN: 114-07-8,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O,"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3",ULGZDMOVFRHVEP-UHFFFAOYSA-N,733.4612,734.4691,732.4534,12041,3255,Chemical info is verified,
StNorman200,Flumequine,CAS_RN: 42835-25-6,CC1CCc2cc(F)cc3C(=O)C(=CN1c23)C(O)=O,CC1CCc2cc(F)cc3c(=O)c(cn1c23)C(=O)O,"InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)",DPSPPJIUMHPXMA-UHFFFAOYSA-N,261.0801,262.0879,260.0723,3257,3374,Chemical info is verified,
StNorman201,Josamycin,CAS_RN: 16846-24-5,CO[C@H]1[C@@H](CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)OC(C)=O,COC1C(CC(=O)OC(C)C/C=C\C=C/C(O)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(OC(=O)CC(C)C)C(C)O2)C(C1O)N(C)C)OC(=O)C,"InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3/b13-12-,16-14-",XJSFLOJWULLJQS-GRWVDKKHSA-N,827.4667,828.4745,826.4589,4447629,5353695,Chemical info is not verified,
StNorman202,Lincomycin,CAS_RN: 859-18-7,[Cl-].CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O.[H+],CCCC1CC(N(C)C1)C(=O)NC(C(C)O)C1OC(SC)C(O)C(O)C1O,"InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)",OJMMVQQUTAEWLP-UHFFFAOYSA-N,406.2138,407.2216,405.2059,58258,3928,Chemical info is not verified,
StNorman203,Methicillin,CAS_RN: 61-32-5,[Na+].COc1cccc(OC)c1C(=O)NC2C3SC(C)(C)C(N3C2=O)C([O-])=O,COc1cccc(OC)c1C(=O)NC1C2SC(C)(C)C(N2C1=O)C(=O)O,"InChI=1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)",RJQXTJLFIWVMTO-UHFFFAOYSA-N,380.1042,381.112,379.0964,5862,4103,Chemical info is not verified,
StNorman204,Minocycline,CAS_RN: 13614-98-7,[Cl-].CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(O)c4C(=C3C(=O)[C@]2(O)C(=O)\C(=C(N)/O)C1=O)O)N(C)C.[H+],CN(C)C1C2CC3Cc4c(ccc(O)c4C(=C3C(=O)C2(O)C(=O)/C(=C(/N)\O)/C1=O)O)N(C)C,"InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27-28,32-33H,7-8,24H2,1-4H3/b22-16-",CUJCFMVUUMIFDR-JWGURIENSA-N,457.1849,458.1927,456.1771,10466090,NA,Chemical info is not verified,
StNorman205,Norfloxacin,CAS_RN: 70458-96-7,CCN1C=C(C(O)=O)C(=O)c2cc(F)c(cc12)N3CCNCC3,CCn1cc(C(=O)O)c(=O)c2cc(F)c(cc12)N1CCNCC1,"InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)",OGJPXUAPXNRGGI-UHFFFAOYSA-N,319.1332,320.141,318.1254,4380,NA,Chemical info is not verified,
StNorman206,Novobiocin,CAS_RN: 1476-53-5,[Na+].COC1C(OC(N)=O)C(O)C(Oc2ccc3C(=O)[C-](NC(=O)c4ccc(O)c(CC=C(C)C)c4)C(=O)Oc3c2C)OC1(C)C,COC1C(OC(=O)N)C(O)C(Oc2ccc3C(=O)C(NC(=O)c4ccc(O)c(CC=C(C)C)c4)C(=O)Oc3c2C)OC1(C)C,"InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,21,23,25-26,29,34,36H,8H2,1-6H3,(H2,32,39)(H,33,37)",NCRNFXDIIHROHW-UHFFFAOYSA-N,612.2319,613.2397,611.2241,10226117,NA,Chemical info is not verified,
StNorman207,Ofloxacin,CAS_RN: 82419-36-1,CC1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(O)=O,CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(cn1c23)C(=O)O,"InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)",GSDSWSVVBLHKDQ-UHFFFAOYSA-N,361.1438,362.1516,360.136,4422,NA,Chemical info is not verified,
StNorman208,Oleandomycin,CAS_RN: 3922-90-5,CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@H](C)C[C@@]4(CO4)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C,COC1CC(OC(C)C1O)OC1C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)CC2(CO2)C(=O)C(C)C(O)C(C)C(C)OC(=O)C1C,"InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3",RZPAKFUAFGMUPI-UHFFFAOYSA-N,687.4194,688.4272,686.4116,4426,4587,Chemical info is verified,
StNorman209,Oxacillin,CAS_RN: 66-79-5,Cc1onc(c2ccccc2)c1C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C(O)=O,Cc1onc(c2ccccc2)c1C(=O)NC1C2SC(C)(C)C(N2C1=O)C(=O)O,"InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)",UWYHMGVUTGAWSP-UHFFFAOYSA-N,401.1045,402.1124,400.0967,5961,4608,Chemical info is not verified,
StNorman210,Oxytetracycline,CAS_RN: 79-57-2,O.O.[Na+].[Na+].CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3[C-](C(=O)c4c([O-])cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(N)/O)C1=O,CN(C)C1C2C(O)C3C(C(=O)c4c(O)cccc4C3(C)O)C(=O)C2(O)C(=O)/C(=C(/N)\O)/C1=O,"InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,10,12-14,17,25,28,31-33H,23H2,1-3H3/b20-11-",CCEBTAGWGYBMEW-JAIQZWGSSA-N,460.1482,461.156,459.1404,4444458,NA,Chemical info is not verified,
StNorman211,Penicillin G,CAS_RN: 61-33-6,CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O,"InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)",JGSARLDLIJGVTE-UHFFFAOYSA-N,334.0987,335.1066,333.0909,5693,2349,Chemical info is verified,
StNorman212,Penicillin V,CAS_RN: 87-08-1,[K+].CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C([O-])=O,CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)O,"InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)",BPLBGHOLXOTWMN-UHFFFAOYSA-N,350.0936,351.1015,349.0858,6607,4731,Chemical info is not verified,
StNorman213,Roxithromycin,CAS_RN: 80214-83-1,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)[C@@H](OC3OC(C)CC(C3O)N(C)C)[C@](C)(O)C[C@@H](C)\C(=N/OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(O)CC(C)/C(=N\OCOCCOC)/C(C)C(O)C1(C)O,"InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+",RXZBMPWDPOLZGW-FEMONOMJSA-N,836.5246,837.5324,835.5167,392060,5353933,Chemical info is verified,
StNorman214,Spiramycin,CAS_RN: 8025-81-8,CO[C@H]1[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC2CCC(C(C)O2)N(C)C)[C@H](C)C[C@H](CC=O)[C@@H]1OC3OC(C)C(OC4CC(C)(O)C(O)C(C)O4)C(C3O)N(C)C,COC1C(O)CC(=O)OC(C)C/C=C\C=C/C(OC2CCC(C(C)O2)N(C)C)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(O)C(C)O2)C(C1O)N(C)C,"InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12-,16-14-",ACTOXUHEUCPTEW-GRWVDKKHSA-N,842.514,843.5218,841.5062,5076,5353959,Chemical info is not verified,
StNorman215,Sulfadiazine,CAS_RN: 68-35-9,Nc1ccc(cc1)[S](=O)(=O)Nc2ncccn2,Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1,"InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)",SEEPANYCNGTZFQ-UHFFFAOYSA-N,250.0524,251.0603,249.0446,5026,5215,Chemical info is verified,
StNorman216,Sulfamerazine,CAS_RN: 127-79-7,Cc1ccnc(N[S](=O)(=O)c2ccc(N)cc2)n1,Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1,"InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)",QPPBRPIAZZHUNT-UHFFFAOYSA-N,264.0681,265.0759,263.0603,5134,5325,Chemical info is verified,
StNorman217,Sulfamethazine,CAS_RN: 57-68-1,Cc1cc(C)nc(N[S](=O)(=O)c2ccc(N)cc2)n1,Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1,"InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)",ASWVTGNCAZCNNR-UHFFFAOYSA-N,278.0837,279.0916,277.0759,5136,5327,Chemical info is verified,
StNorman218,Sulfamethoxazole,CAS_RN: 723-46-6,Cc1onc(N[S](=O)(=O)c2ccc(N)cc2)c1,Cc1onc(NS(=O)(=O)c2ccc(N)cc2)c1,"InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)",JLKIGFTWXXRPMT-UHFFFAOYSA-N,253.0521,254.0599,252.0443,5138,5329,Chemical info is verified,
StNorman219,Sulfapyridine,CAS_RN: 144-83-2,Nc1ccc(cc1)[S](=O)(=O)Nc2ccccn2,Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,"InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)",GECHUMIMRBOMGK-UHFFFAOYSA-N,249.0572,250.065,248.0494,5145,5336,Chemical info is verified,
StNorman220,Tetracycline,CAS_RN: 60-54-8,CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(N)/O)C1=O,CN(C)C1C2CC3C(=C(O)c4c(O)cccc4C3(C)O)C(=O)C2(O)C(=O)/C(=C(/N)\O)/C1=O,"InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25-26,30-32H,7,23H2,1-3H3/b20-14-",JYHCQVWYCGHXGP-ZHZULCJRSA-N,444.1533,445.1611,443.1454,10257122,NA,Chemical info is not verified,
StNorman221,Tiamulin,CAS_RN: 55297-95-5,CCN(CC)CCSCC(=O)O[C@@H]1C[C@@](C)(C=C)[C@@H](O)[C@H](C)[C@@]23CC[C@@H](C)[C@]1(C)[C@@H]2C(=O)CC3,CCN(CC)CCSCC(=O)OC1CC(C)(C=C)C(O)C(C)C23CCC(C)C1(C)C2C(=O)CC3,"InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3",UURAUHCOJAIIRQ-UHFFFAOYSA-N,493.3226,494.3304,492.3148,391759,4517617,Chemical info is verified,
StNorman222,Fluvoxamine,CAS_RN: 54739-18-3,COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F,COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F,"InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+",CJOFXWAVKWHTFT-XSFVSMFZSA-N,318.1555,319.1633,317.1477,4481878,5324346,Chemical info is verified,
StNorman223,Paroxetine,CAS_RN: 61869-08-7,Fc1ccc(cc1)[C@@H]2CCNC[C@H]2COc3ccc4OCOc4c3,Fc1ccc(cc1)C1CCNCC1COc1ccc2OCOc2c1,"InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2",AHOUBRCZNHFOSL-UHFFFAOYSA-N,329.1427,330.1505,328.1349,39888,4691,Chemical info is verified,
StNorman224,Glibenclamide (Glyburide),CAS_RN: 10238-21-8,COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)[S](=O)(=O)NC(=O)NC3CCCCC3,COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1,"InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)",ZNNLBTZKUZBEKO-UHFFFAOYSA-N,493.1438,494.1516,492.136,3368,3488,Chemical info is verified,
StNorman225,Metformin,CAS_RN: 657-24-9,CN(C)C(=N)N=C(N)N,CN(C)C(=N)N=C(N)N,"InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)",XZWYZXLIPXDOLR-UHFFFAOYSA-N,129.1014,130.1093,128.0936,3949,4091,Chemical info is verified,
StNorman226,Diphenhydramine,CAS_RN: 58-73-1,CN(C)CCOC(c1ccccc1)c2ccccc2,CN(C)CCOC(c1ccccc1)c1ccccc1,"InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3",ZZVUWRFHKOJYTH-UHFFFAOYSA-N,255.1623,256.1701,254.1545,2989,3100,Chemical info is verified,
StNorman227,Carbamazepine,CAS_RN: 298-46-4,NC(=O)N1c2ccccc2C=Cc3ccccc13,NC(=O)N1c2ccccc2C=Cc2ccccc12,"InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)",FFGPTBGBLSHEPO-UHFFFAOYSA-N,236.095,237.1028,235.0871,2457,2554,Chemical info is verified,
StNorman228,Primidone,CAS_RN: 125-33-7,CCC1(C(=O)NCNC1=O)c2ccccc2,CCC1(C(=O)NCNC1=O)c1ccccc1,"InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)",DQMZLTXERSFNPB-UHFFFAOYSA-N,218.1055,219.1134,217.0977,4740,4909,Chemical info is verified,
StNorman229,Loratadine,CAS_RN: 79794-75-5,CCOC(=O)N1CCC(CC1)=C2c3ccc(Cl)cc3CCc4cccnc24,CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc23)CC1,"InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3",JCCNYMKQOSZNPW-UHFFFAOYSA-N,382.1448,383.1526,381.137,3820,3957,Chemical info is verified,
StNorman230,Nadolol,CAS_RN: 42200-33-9,CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12,CC(C)(C)NCC(O)COc1cccc2CC(O)C(O)Cc12,"InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3",VWPOSFSPZNDTMJ-UHFFFAOYSA-N,309.194,310.2018,308.1862,4258,4411,Chemical info is not verified,
StNorman231,Verapamil,CAS_RN: 52-53-9,COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC,COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC,"InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3",SGTNSNPWRIOYBX-UHFFFAOYSA-N,454.2832,455.291,453.2753,2425,2520,Chemical info is verified,
StNorman232,Aceclofenac,CAS_RN: 89796-99-6,OC(=O)COC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl,OC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,"InChI=1S/C16H13Cl2NO4/c17-11-5-3-6-12(18)16(11)19-13-7-2-1-4-10(13)8-15(22)23-9-14(20)21/h1-7,19H,8-9H2,(H,20,21)",MNIPYSSQXLZQLJ-UHFFFAOYSA-N,353.0222,354.03,352.0143,64809,71771,Chemical info is verified,
StNorman233,Acemetacin,CAS_RN: 53164-05-9,COc1ccc2n(c(C)c(CC(=O)OCC(O)=O)c2c1)C(=O)c3ccc(Cl)cc3,COc1ccc2n(c(C)c(CC(=O)OCC(=O)O)c2c1)C(=O)c1ccc(Cl)cc1,"InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)",FSQKKOOTNAMONP-UHFFFAOYSA-N,415.0823,416.0901,414.0744,1904,1981,Chemical info is verified,
StNorman234,Diclofenac,CAS_RN: 15307-86-5,OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl,OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",DCOPUUMXTXDBNB-UHFFFAOYSA-N,295.0167,296.0245,294.0089,2925,3033,Chemical info is not verified,
StNorman235,Fenoprofen,CAS_RN: 31879-05-7,CC(C(O)=O)c1cccc(Oc2ccccc2)c1,CC(C(=O)O)c1cccc(Oc2ccccc2)c1,"InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)",RDJGLLICXDHJDY-UHFFFAOYSA-N,242.0943,243.1021,241.0865,21112465,3342,Chemical info is verified,
StNorman236,Fenoprofen calcium salt dihydrate,CAS_RN: 53746-45-5,O.O.[Ca++].CC(C([O-])=O)c1cccc(Oc2ccccc2)c1.CC(C([O-])=O)c3cccc(Oc4ccccc4)c3,CC(C(=O)O)c1cccc(Oc2ccccc2)c1,"InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)",RDJGLLICXDHJDY-UHFFFAOYSA-N,242.0943,243.1021,241.0865,20311,3342,Chemical info is not verified,
StNorman237,Ibuprofen,CAS_RN: 15687-27-1,CC(C)Cc1ccc(cc1)C(C)C(O)=O,CC(C)Cc1ccc(cc1)C(C)C(=O)O,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)",HEFNNWSXXWATRW-UHFFFAOYSA-N,206.1307,207.1385,205.1229,3544,3672,Chemical info is verified,
StNorman238,Indomethacin,CAS_RN: 53-86-1,COc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)c3ccc(Cl)cc3,COc1ccc2n(c(C)c(CC(=O)O)c2c1)C(=O)c1ccc(Cl)cc1,"InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)",CGIGDMFJXJATDK-UHFFFAOYSA-N,357.0768,358.0846,356.069,4060,3715,Chemical info is not verified,
StNorman239,Ketoprofen,CAS_RN: 22071-15-4,CC(C(O)=O)c1cccc(c1)C(=O)c2ccccc2,CC(C(=O)O)c1cccc(c1)C(=O)c1ccccc1,"InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)",DKYWVDODHFEZIM-UHFFFAOYSA-N,254.0943,255.1021,253.0865,3693,3825,Chemical info is verified,
StNorman240,Meclofenamic acid,CAS_RN: 644-62-2,Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl,Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl,"InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)",SBDNJUWAMKYJOX-UHFFFAOYSA-N,295.0167,296.0245,294.0089,3897,4037,Chemical info is verified,
StNorman241,Mefenamic acid,CAS_RN: 61-68-7,Cc1cccc(Nc2ccccc2C(O)=O)c1C,Cc1cccc(Nc2ccccc2C(=O)O)c1C,"InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)",HYYBABOKPJLUIN-UHFFFAOYSA-N,241.1103,242.1181,240.1025,3904,4044,Chemical info is verified,
StNorman242,Naproxen,CAS_RN: 22204-53-1,COc1ccc2cc(ccc2c1)C(C)C(O)=O,COc1ccc2cc(ccc2c1)C(C)C(=O)O,"InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)",CMWTZPSULFXXJA-UHFFFAOYSA-N,230.0943,231.1021,229.0865,137720,1302,Chemical info is verified,
StNorman243,Phenylbutazone,CAS_RN: 50-33-9,CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3,CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,"InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3",VYMDGNCVAMGZFE-UHFFFAOYSA-N,308.1525,309.1603,307.1447,2037812,4781,Chemical info is not verified,
StNorman244,Tolfenamic acid,CAS_RN: 13710-19-5,Cc1cc(Nc2ccccc2C(O)=O)ccc1Cl,Cc1cc(Nc2ccccc2C(=O)O)ccc1Cl,"InChI=1S/C14H12ClNO2/c1-9-8-10(6-7-12(9)15)16-13-5-3-2-4-11(13)14(17)18/h2-8,16H,1H3,(H,17,18)",QDNMBJXNLJFNHT-UHFFFAOYSA-N,261.0557,262.0635,260.0478,530683,5507,Chemical info is not verified,
StNorman245,Cyclophosphamide,CAS_RN: 50-18-0,ClCCN(CCCl)[P]1(=O)NCCCO1,ClCCN(CCCl)P1(=O)NCCCO1,"InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)",CMSMOCZEIVJLDB-UHFFFAOYSA-N,260.0248,261.0326,259.017,2804,2907,Chemical info is verified,
StNorman246,Daunorubicin,CAS_RN: 20830-81-3,COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O,COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)C,"InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3",STQGQHZAVUOBTE-UHFFFAOYSA-N,527.1791,528.187,526.1713,28163,2958,Chemical info is verified,
StNorman247,Doxorubicin,CAS_RN: 25316-40-9,[Cl-].COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO.[H+],COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO,"InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3",AOJJSUZBOXZQNB-UHFFFAOYSA-N,543.1741,544.1819,542.1662,29400,1691,Chemical info is not verified,
StNorman248,Epirubicin,CAS_RN: 56420-45-2,COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO,COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO,"InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3",AOJJSUZBOXZQNB-UHFFFAOYSA-N,543.1741,544.1819,542.1662,38201,1691,Chemical info is not verified,
StNorman249,Fluorouracil,CAS_RN: 51-21-8,FC1=CNC(=O)NC1=O,Fc1c[nH]c(=O)[nH]c1=O,"InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)",GHASVSINZRGABV-UHFFFAOYSA-N,130.0179,131.0257,129.01,3268,3385,Chemical info is verified,
StNorman250,Ifosfamide,CAS_RN: 3778-73-2,ClCCN[P]1(=O)OCCCN1CCCl,ClCCNP1(=O)OCCCN1CCCl,"InChI=1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12)",HOMGKSMUEGBAAB-UHFFFAOYSA-N,260.0248,261.0326,259.017,3562,3690,Chemical info is verified,
StNorman251,Famotidine,CAS_RN: 76824-35-6,NC(N)=Nc1scc(CSCCC(N)=N[S](N)(=O)=O)n1,NC(=Nc1scc(CSCC/C(=N/S(=O)(=O)N)/N)n1)N,"InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)",XUFQPHANEAPEMJ-UHFFFAOYSA-N,337.0449,338.0528,336.0371,3208,NA,Chemical info is not verified,
StNorman252,Lansoprazole,CAS_RN: 103577-45-3,Cc1c(C[S](=O)c2[nH]c3ccccc3n2)nccc1OCC(F)(F)F,Cc1c(CS(=O)c2[nH]c3ccccc3n2)nccc1OCC(F)(F)F,"InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)",MJIHNNLFOKEZEW-UHFFFAOYSA-N,369.0759,370.0837,368.0681,3746,3883,Chemical info is verified,
StNorman253,Omeprazole,CAS_RN: 73590-58-6,COc1ccc2nc([nH]c2c1)[S](=O)Cc3ncc(C)c(OC)c3C,COc1ccc2nc([nH]c2c1)S(=O)Cc1ncc(C)c(OC)c1C,"InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)",SUBDBMMJDZJVOS-UHFFFAOYSA-N,345.1147,346.1225,344.1069,4433,4594,Chemical info is verified,
StNorman254,Ranitidine,CAS_RN: 66357-35-5,[H+].[Cl-].CNC(/NCCSCc1oc(CN(C)C)cc1)=C\[N+]([O-])=O,CN/C(=C\N(=O)=O)/NCCSCc1oc(CN(C)C)cc1,"InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+",VMXUWOKSQNHOCA-UKTHLTGXSA-N,314.1413,315.1491,313.1334,4863,3001055,Chemical info is verified,
StNorman255,Acyclovir,CAS_RN: 59277-89-3,NC1=NC(=O)c2ncn(COCCO)c2N1,Nc1nc(=O)c2ncn(COCCO)c2[nH]1,"InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)",MKUXAQIIEYXACX-UHFFFAOYSA-N,225.0862,226.094,224.0784,1945,2022,Chemical info is verified,
StNorman256,Alprazolam,CAS_RN: 28981-97-7,Cc1nnc2CN=C(c3ccccc3)c4cc(Cl)ccc4n12,Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3n12,"InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3",VREFGVBLTWBCJP-UHFFFAOYSA-N,308.0829,309.0907,307.075,2034,2118,Chemical info is verified,
StNorman257,Bromazepam,CAS_RN: 1812-30-2,Brc1ccc2NC(=O)CN=C(c3ccccn3)c2c1,Brc1ccc2NC(=O)CN=C(c3ccccn3)c2c1,"InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)",VMIYHDSEFNYJSL-UHFFFAOYSA-N,315.0007,316.0085,313.9929,2347,2441,Chemical info is verified,
StNorman258,Diazepam,CAS_RN: 439-14-5,CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13,CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc12,"InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3",AAOVKJBEBIDNHE-UHFFFAOYSA-N,284.0716,285.0795,283.0638,2908,3016,Chemical info is verified,
StNorman259,Lorazepam,CAS_RN: 846-49-1,OC1N=C(c2ccccc2Cl)c3cc(Cl)ccc3NC1=O,OC1N=C(c2ccccc2Cl)c2cc(Cl)ccc2NC1=O,"InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)",DIWRORZWFLOCLC-UHFFFAOYSA-N,320.0119,321.0198,319.0041,3821,3958,Chemical info is verified,
StNorman260,Medazepam,CAS_RN: 2898-12-6,[Cl-].C[NH+]1CCN=C(c2ccccc2)c3cc(Cl)ccc13,CN1CCN=C(c2ccccc2)c2cc(Cl)ccc12,"InChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3",YLCXGBZIZBEVPZ-UHFFFAOYSA-N,270.0924,271.1002,269.0846,3901,4041,Chemical info is verified,
StNorman261,Meprobamate,CAS_RN: 57-53-4,CCCC(C)(COC(N)=O)COC(N)=O,CCCC(C)(COC(=O)N)COC(=O)N,"InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)",NPPQSCRMBWNHMW-UHFFFAOYSA-N,218.1267,219.1345,217.1188,3924,4064,Chemical info is verified,
StNorman262,Nordiazepam,CAS_RN: 1088-11-5,Clc1ccc2NC(=O)CN=C(c3ccccc3)c2c1,Clc1ccc2NC(=O)CN=C(c3ccccc3)c2c1,"InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)",AKPLHCDWDRPJGD-UHFFFAOYSA-N,270.056,271.0638,269.0482,2890,2997,Chemical info is verified,
StNorman263,Oxazepam,CAS_RN: 604-75-1,OC1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O,OC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O,"InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)",ADIMAYPTOBDMTL-UHFFFAOYSA-N,286.0509,287.0587,285.0431,4455,4616,Chemical info is verified,
StNorman264,Temazepam,CAS_RN: 846-50-4,CN1C(=O)C(O)N=C(c2ccccc2)c3cc(Cl)ccc13,CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc12,"InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3",SEQDDYPDSLOBDC-UHFFFAOYSA-N,300.0666,301.0744,299.0587,5198,5391,Chemical info is verified,
StNorman265,Acebutolol,CAS_RN: 37517-30-9,CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O,CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(=O)C,"InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)",GOEMGAFJFRBGGG-UHFFFAOYSA-N,336.2049,337.2127,335.1971,1901,1978,Chemical info is verified,
StNorman266,Atenolol,CAS_RN: 29122-68-7,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,CC(C)NCC(O)COc1ccc(CC(=O)N)cc1,"InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)",METKIMKYRPQLGS-UHFFFAOYSA-N,266.163,267.1709,265.1552,2162,2249,Chemical info is verified,
StNorman267,Betaxolol,CAS_RN: 63659-18-7,CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1,CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1,"InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3",NWIUTZDMDHAVTP-UHFFFAOYSA-N,307.2147,308.2226,306.2069,2279,2369,Chemical info is verified,
StNorman268,Bisoprolol,CAS_RN: 66722-44-9,CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1,CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1,"InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3",VHYCDWMUTMEGQY-UHFFFAOYSA-N,325.2253,326.2331,324.2175,2312,2405,Chemical info is verified,
StNorman269,Carazolol,CAS_RN: 57775-29-8,CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12,CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12,"InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3",BQXQGZPYHWWCEB-UHFFFAOYSA-N,298.1681,299.176,297.1603,64783,71739,Chemical info is verified,
StNorman270,Metoprolol,CAS_RN: 37350-58-6,COCCc1ccc(OCC(O)CNC(C)C)cc1,COCCc1ccc(OCC(O)CNC(C)C)cc1,"InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3",IUBSYMUCCVWXPE-UHFFFAOYSA-N,267.1834,268.1913,266.1756,4027,4171,Chemical info is verified,
StNorman271,Oxprenolol,CAS_RN: 6452-71-7,[H+].[Cl-].CC(C)NCC(O)COc1ccccc1OCC=C,CC(C)NCC(O)COc1ccccc1OCC=C,"InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3",CEMAWMOMDPGJMB-UHFFFAOYSA-N,265.1678,266.1756,264.16,4470,4631,Chemical info is verified,
StNorman272,Pindolol,CAS_RN: 13523-86-9,CC(C)NCC(O)COc1cccc2[nH]ccc12,CC(C)NCC(O)COc1cccc2[nH]ccc12,"InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3",JZQKKSLKJUAGIC-UHFFFAOYSA-N,248.1525,249.1603,247.1447,4662,4828,Chemical info is verified,
StNorman273,Propranolol,CAS_RN: 525-66-6,CC(C)NCC(O)COc1cccc2ccccc12,CC(C)NCC(O)COc1cccc2ccccc12,"InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3",AQHHHDLHHXJYJD-UHFFFAOYSA-N,259.1572,260.1651,258.1494,4777,4946,Chemical info is verified,
StNorman274,Sotalol,CAS_RN: 3930-20-9,CC(C)NCC(O)c1ccc(N[S](C)(=O)=O)cc1,CC(C)NCC(O)c1ccc(NS(=O)(=O)C)cc1,"InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3",ZBMZVLHSJCTVON-UHFFFAOYSA-N,272.1195,273.1273,271.1116,5063,5253,Chemical info is verified,
StNorman275,Timolol,CAS_RN: 26839-75-8,CC(C)(C)NC[C@H](O)COc1nsnc1N2CCOCC2,CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1,"InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3",BLJRIMJGRPQVNF-UHFFFAOYSA-N,316.1569,317.1647,315.1491,31013,5478,Chemical info is verified,
StNorman276,Pentoxifylline,CAS_RN: 6493-05-6,Cn1cnc2N(C)C(=O)N(CCCCC(C)=O)C(=O)c12,Cn1cnc2n(C)c(=O)n(CCCCC(=O)C)c(=O)c12,"InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3",BYPFEZZEUUWMEJ-UHFFFAOYSA-N,278.1379,279.1457,277.1301,4578,4740,Chemical info is verified,
StNorman277,Albuterol,CAS_RN: 18559-94-9,CC(C)(C)NCC(O)c1ccc(O)c(CO)c1,CC(C)(C)NCC(O)c1ccc(O)c(CO)c1,"InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3",NDAUXUAQIAJITI-UHFFFAOYSA-N,239.1521,240.16,238.1443,1999,2083,Chemical info is verified,
StNorman278,Albuterol sulfate,CAS_RN: 51022-70-9,CC(C)(C)NCC(O)c1ccc(O)c(CO)c1.CC(C)(C)NCC(O)c2ccc(O)c(CO)c2.O[S](O)(=O)=O,CC(C)(C)NCC(O)c1ccc(O)c(CO)c1,"InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3",NDAUXUAQIAJITI-UHFFFAOYSA-N,239.1521,240.16,238.1443,36448,2083,Chemical info is verified,
StNorman279,Clenbuterol,CAS_RN: 37148-27-9,CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1,CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1,"InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3",STJMRWALKKWQGH-UHFFFAOYSA-N,276.0796,277.0874,275.0718,599891,2783,Chemical info is verified,
StNorman280,Fenoterol,CAS_RN: 13392-18-2,[Br-].CC(Cc1ccc(O)cc1)[NH2+]CC(O)c2cc(O)cc(O)c2,CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1,"InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3",LSLYOANBFKQKPT-UHFFFAOYSA-N,303.1471,304.1549,302.1392,3226,3343,Chemical info is verified,
StNorman281,Salbutamol,CAS_RN: 35763-26-9,CC(C)(C)NCC(O)c1ccc(O)c(CO)c1,CC(C)(C)NCC(O)c1ccc(O)c(CO)c1,"InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3",NDAUXUAQIAJITI-UHFFFAOYSA-N,239.1521,240.16,238.1443,1999,2083,Chemical info is verified,
StNorman282,Terbutaline,CAS_RN: 23031-25-6,CC(C)(C)NCC(O)c1cc(O)cc(O)c1,CC(C)(C)NCC(O)c1cc(O)cc(O)c1,"InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3",XWTYSIMOBUGWOL-UHFFFAOYSA-N,225.1365,226.1443,224.1287,5210,5403,Chemical info is verified,
StNorman283,Caffeine,CAS_RN: 58-08-2,Cn1cnc2N(C)C(=O)N(C)C(=O)c12,Cn1cnc2n(C)c(=O)n(C)c(=O)c12,"InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3",RYYVLZVUVIJVGH-UHFFFAOYSA-N,194.0804,195.0882,193.0726,2424,2519,Chemical info is verified,
StNorman284,Furosemide,CAS_RN: 54-31-9,N[S](=O)(=O)c1cc(C(O)=O)c(NCc2occc2)cc1Cl,NS(=O)(=O)c1cc(C(=O)O)c(NCc2occc2)cc1Cl,"InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)",ZZUFCTLCJUWOSV-UHFFFAOYSA-N,330.0077,331.0155,328.9999,3322,NA,Chemical info is not verified,
StNorman285,Hydrochlorothiazide,CAS_RN: 58-93-5,N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1Cl,NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl,"InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)",JZUFKLXOESDKRF-UHFFFAOYSA-N,296.9645,297.9723,295.9566,3513,3639,Chemical info is verified,
StNorman286,Bezafibrate,CAS_RN: 41859-67-0,CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(O)=O,CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O,"InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)",IIBYAHWJQTYFKB-UHFFFAOYSA-N,361.1081,362.1159,360.1003,35728,39042,Chemical info is verified,
StNorman287,Clofibric acid (metabolite of CLOFIBRATE),CAS_RN: 882-09-7,CC(C)(Oc1ccc(Cl)cc1)C(O)=O,CC(C)(Oc1ccc(Cl)cc1)C(=O)O,"InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)",TXCGAZHTZHNUAI-UHFFFAOYSA-N,214.0397,215.0475,213.0318,2695,2797,Chemical info is verified,
StNorman288,Etofibrate,CAS_RN: 56775-91-8,[H+].[Cl-].CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c2cccnc2,CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c1cccnc1,"InChI=1S/C18H18ClNO5/c1-18(2,25-15-7-5-14(19)6-8-15)17(22)24-11-10-23-16(21)13-4-3-9-20-12-13/h3-9,12H,10-11H2,1-2H3",XXRVYAFBUDSLJX-UHFFFAOYSA-N,363.0874,364.0952,362.0795,2284856,65777,Chemical info is verified,
StNorman289,Fenofibrate,CAS_RN: 49562-28-9,CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2,CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1,"InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3",YMTINGFKWWXKFG-UHFFFAOYSA-N,360.1128,361.1207,359.105,3222,3339,Chemical info is verified,
StNorman290,Fenofibric acid (metabolite of FENOFIBRATE),CAS_RN: 42017-89-0,CC(C)(Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2)C(O)=O,CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(=O)O,"InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)",MQOBSOSZFYZQOK-UHFFFAOYSA-N,318.0659,319.0737,317.0581,58457,64929,Chemical info is verified,
StNorman291,Gemfibrozil,CAS_RN: 25812-30-0,Cc1ccc(C)c(OCCCC(C)(C)C(O)=O)c1,Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1,"InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)",HEMJJKBWTPKOJG-UHFFFAOYSA-N,250.1569,251.1647,249.1491,3345,3463,Chemical info is verified,
StNorman292,Lovastatin,CAS_RN: 75330-75-5,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12,CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12,"InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3",PCZOHLXUXFIOCF-UHFFFAOYSA-N,404.2563,405.2641,403.2484,48085,3962,Chemical info is verified,
StNorman293,Mevastatin,CAS_RN: 73573-88-3,CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12,CCC(C)C(=O)OC1CCC=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12,"InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3",AJLFOPYRIVGYMJ-UHFFFAOYSA-N,390.2406,391.2484,389.2328,58262,2854,Chemical info is not verified,
StNorman294,Pravastatin,CAS_RN: 81093-37-0,CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12,CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)O)C12,"InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)",TUZYXOIXSAXUGO-UHFFFAOYSA-N,424.2461,425.2539,423.2383,49398,4889,Chemical info is not verified,
StNorman295,Simvastatin,CAS_RN: 79902-63-9,CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12,CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12,"InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3",RYMZZMVNJRMUDD-UHFFFAOYSA-N,418.2719,419.2797,417.2641,49179,4677798,Chemical info is not verified,
StNorman296,Acecarbromal,CAS_RN: 77-66-7,CCC(Br)(CC)C(=O)NC(=O)NC(C)=O,CCC(Br)(CC)C(=O)NC(=O)NC(=O)C,"InChI=1S/C9H15BrN2O3/c1-4-9(10,5-2)7(14)12-8(15)11-6(3)13/h4-5H2,1-3H3,(H2,11,12,13,14,15)",SAZUGELZHZOXHB-UHFFFAOYSA-N,278.0266,279.0344,277.0188,6244,6489,Chemical info is verified,
StNorman297,Allobarbital,CAS_RN: 52-43-7,C=CCC1(CC=C)C(=O)NC(=O)NC1=O,C=CCC1(CC=C)C(=O)NC(=O)NC1=O,"InChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)",FDQGNLOWMMVRQL-UHFFFAOYSA-N,208.0848,209.0926,207.077,5635,5842,Chemical info is verified,
StNorman298,Amobarbital,CAS_RN: 57-43-2,CCC1(CCC(C)C)C(=O)NC(=O)NC1=O,CCC1(CCC(C)C)C(=O)NC(=O)NC1=O,"InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)",VIROVYVQCGLCII-UHFFFAOYSA-N,226.1317,227.1396,225.1239,2079,2164,Chemical info is verified,
StNorman299,Butalbital,CAS_RN: 77-26-9,CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O,CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O,"InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)",UZVHFVZFNXBMQJ-UHFFFAOYSA-N,224.1161,225.1239,223.1083,2387,2481,Chemical info is verified,
StNorman300,Hexobarbital,CAS_RN: 56-29-1,CN1C(=O)NC(=O)C(C)(C1=O)C2=CCCCC2,CN1C(=O)NC(=O)C(C)(C1=O)C1=CCCCC1,"InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)",UYXAWHWODHRRMR-UHFFFAOYSA-N,236.1161,237.1239,235.1083,3482,3608,Chemical info is verified,
StNorman301,Pentobarbital,CAS_RN: 76-74-4,CCCC(C)C1(CC)C(=O)NC(=O)NC1=O,CCCC(C)C1(CC)C(=O)NC(=O)NC1=O,"InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)",WEXRUCMBJFQVBZ-UHFFFAOYSA-N,226.1317,227.1396,225.1239,4575,4737,Chemical info is verified,
StNorman302,Aprobarbital,CAS_RN: 77-02-1,CC(C)C1(CC=C)C(=O)NC(=O)NC1=O,CC(C)C1(CC=C)C(=O)NC(=O)NC1=O,"InChI=1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15)",UORJNBVJVRLXMQ-UHFFFAOYSA-N,210.1004,211.1083,209.0926,6221,6464,Chemical info is verified,
StNorman303,Secobarbital sodium,CAS_RN: 309-43-3,[Na+].CCCC(C)C1(CC=C)C(=O)NC(=O)[N-]C1=O,CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O,"InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)",KQPKPCNLIDLUMF-UHFFFAOYSA-N,238.1317,239.1396,237.1239,9023,5193,Chemical info is verified,
StNorman304,17-alpha-Estradiol,CAS_RN: 57-91-0,C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@H]2O,CC12CCC3C(CCc4cc(O)ccc34)C1CCC2O,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3",VOXZDWNPVJITMN-UHFFFAOYSA-N,272.1776,273.1855,271.1698,61840,450,Chemical info is not verified,
StNorman305,17-alpha-Ethinylestradiol,CAS_RN: 57-63-6,C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C,CC12CCC3C(CCc4cc(O)ccc34)C1CCC2(O)C#C,"InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3",BFPYWIDHMRZLRN-UHFFFAOYSA-N,296.1776,297.1855,295.1698,5770,3285,Chemical info is not verified,
StNorman306,17-beta-Estradiol,CAS_RN: 50-28-2,C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O,CC12CCC3C(CCc4cc(O)ccc34)C1CCC2O,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3",VOXZDWNPVJITMN-UHFFFAOYSA-N,272.1776,273.1855,271.1698,5554,450,Chemical info is not verified,
StNorman307,Beta-sitosterol,CAS_RN: 83-46-5,CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3",KZJWDPNRJALLNS-UHFFFAOYSA-N,414.3862,415.394,413.3783,192962,86821,Chemical info is verified,
StNorman308,Cholesterol,CAS_RN: 57-88-5,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,"InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3",HVYWMOMLDIMFJA-UHFFFAOYSA-N,386.3549,387.3627,385.347,5775,304,Chemical info is not verified,
StNorman309,Diethylstilbestrol,CAS_RN: 56-53-1,CC\C(c1ccc(O)cc1)=C(\CC)c2ccc(O)cc2,CC/C(=C(/CC)\c1ccc(O)cc1)/c1ccc(O)cc1,"InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+",RGLYKWWBQGJZGM-ISLYRVAYSA-N,268.1463,269.1542,267.1385,395306,448537,Chemical info is verified,
StNorman310,Estriol,CAS_RN: 50-27-1,C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O,CC12CCC3C(CCc4cc(O)ccc34)C1CC(O)C2O,"InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3",PROQIPRRNZUXQM-UHFFFAOYSA-N,288.1725,289.1804,287.1647,5553,3269,Chemical info is not verified,
StNorman311,Estrone,CAS_RN: 53-16-7,C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CCC2=O,CC12CCC3C(CCc4cc(O)ccc34)C1CCC2=O,"InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3",DNXHEGUUPJUMQT-UHFFFAOYSA-N,270.162,271.1698,269.1542,5660,698,Chemical info is not verified,
StNorman312,Estrone sulphate,CAS_RN: 481-97-0,[Na+].C[C@]12CC[C@H]3[C@@H](CCc4cc(O[S]([O-])(=O)=O)ccc34)[C@@H]1CCC2=O,CC12CCC3C(CCc4cc(OS(=O)(=O)O)ccc34)C1CCC2=O,"InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)",JKKFKPJIXZFSSB-UHFFFAOYSA-N,350.1188,351.1266,349.111,2272513,699,Chemical info is not verified,
StNorman313,Mestranol,CAS_RN: 72-33-3,COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@@H]3CCc2c1,COc1ccc2C3CCC4(C)C(CCC4(O)C#C)C3CCc2c1,"InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3",IMSSROKUHAOUJS-UHFFFAOYSA-N,310.1933,311.2011,309.1855,6054,4080,Chemical info is not verified,
StNorman314,Amitryptiline,CAS_RN: 50-48-6,CN(C)CCC=C1c2ccccc2CCc3ccccc13,CN(C)CC/C=C/1\c2ccccc2CCc2ccccc12,"InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3",KRMDCWKBEZIMAB-UHFFFAOYSA-N,277.183,278.1909,276.1752,2075,2160,Chemical info is verified,
StNorman315,Doxepine,CAS_RN: 1668-19-5,CN(C)CC\C=C1/c2ccccc2COc3ccccc13,CN(C)CC/C=C/1\c2ccccc2COc2ccccc12,"InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+",ODQWQRRAPPTVAG-GZTJUZNOSA-N,279.1623,280.1701,278.1545,580858,667477,Chemical info is verified,
StNorman316,Imapramine,CAS_RN: 50-49-7,CN(C)CCCN1c2ccccc2CCc3ccccc13,CN(C)CCCN1c2ccccc2CCc2ccccc12,"InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3",BCGWQEUPMDMJNV-UHFFFAOYSA-N,280.1939,281.2018,279.1861,3568,3696,Chemical info is verified,
StNorman317,Zolpidem,CAS_RN: 82626-48-0,CN(C)C(=O)Cc1n2cc(C)ccc2nc1c3ccc(C)cc3,CN(C)C(=O)Cc1n2cc(C)ccc2nc1c1ccc(C)cc1,"InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3",ZAFYATHCZYHLPB-UHFFFAOYSA-N,307.1685,308.1763,306.1606,5530,5732,Chemical info is verified,
StNorman318,Diatrizoate,CAS_RN: 117-96-4,CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(O)=O)c1I,CC(=O)Nc1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I,"InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)",YVPYQUNUQOZFHG-UHFFFAOYSA-N,613.7696,614.7775,612.7618,2055,2140,Chemical info is verified,
StNorman319,Iohexol,CAS_RN: 66108-95-0,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,"InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)",NTHXOOBQLCIOLC-UHFFFAOYSA-N,820.8803,821.8881,819.8725,3599,3730,Chemical info is verified,
StNorman320,Iomeprol,CAS_RN: 78649-41-9,CN(C(=O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,CN(C(=O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,"InChI=1S/C17H22I3N3O8/c1-23(9(29)6-26)15-13(19)10(16(30)21-2-7(27)4-24)12(18)11(14(15)20)17(31)22-3-8(28)5-25/h7-8,24-28H,2-6H2,1H3,(H,21,30)(H,22,31)",NJKDOADNQSYQEV-UHFFFAOYSA-N,776.8541,777.8619,775.8463,3600,3731,Chemical info is verified,
StNorman321,Iopamidol,CAS_RN: 60166-93-0,C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I,CC(O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I,"InChI=1S/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,29)",XQZXYNRDCRIARQ-UHFFFAOYSA-N,776.8541,777.8619,775.8463,3603,3734,Chemical info is verified,
StNorman322,Iopromide,CAS_RN: 73334-07-3,COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(c1I)C(=O)N(C)CC(O)CO,COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(c1I)C(=O)N(C)CC(O)CO,"InChI=1S/C18H24I3N3O8/c1-24(4-9(28)6-26)18(31)12-13(19)11(17(30)22-3-8(27)5-25)14(20)16(15(12)21)23-10(29)7-32-2/h8-9,25-28H,3-7H2,1-2H3,(H,22,30)(H,23,29)",DGAIEPBNLOQYER-UHFFFAOYSA-N,790.8697,791.8776,789.8619,3605,3736,Chemical info is verified,
StNorman323,4-Methyl-1H-benzotriazole,CAS_RN: 29878-31-7,Cc1cccc2n[nH]nc12,Cc1cccc2n[nH]nc12,"InChI=1S/C7H7N3/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3,(H,8,9,10)",CMGDVUCDZOBDNL-UHFFFAOYSA-N,133.064,134.0718,132.0562,28562396,122499,Chemical info is verified,
StNorman324,5-Methyl-1H-benzotriazole (5-Tolyltriazole),CAS_RN: 136-85-6,Cc1ccc2n[nH]nc2c1,Cc1ccc2n[nH]nc2c1,"InChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)",LRUDIIUSNGCQKF-UHFFFAOYSA-N,133.064,134.0718,132.0562,8381,8705,Chemical info is verified,
StNorman325,"5,6-Dimethyl-1H-benzotriazole",CAS_RN: 4184-79-6,Cc1cc2n[nH]nc2cc1C,Cc1cc2n[nH]nc2cc1C,"InChI=1S/C8H9N3/c1-5-3-7-8(4-6(5)2)10-11-9-7/h3-4H,1-2H3,(H,9,10,11)",MVPKIPGHRNIOPT-UHFFFAOYSA-N,147.0796,148.0875,146.0718,70242,77849,Chemical info is verified,
StNorman326,Methyl-1H-benzotriazole / Tolyltriazole,CAS_RN: 29385-43-1,Cc1cccc2n[nH]nc12,Cc1cccc2n[nH]nc12,"InChI=1S/C7H7N3/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3,(H,8,9,10)",CMGDVUCDZOBDNL-UHFFFAOYSA-N,133.064,134.0718,132.0562,109219,122499,Chemical info is verified,
StNorman327,p-Cresol,CAS_RN: 106-44-5,Cc1ccc(O)cc1,Cc1ccc(O)cc1,"InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3",IWDCLRJOBJJRNH-UHFFFAOYSA-N,108.0575,109.0653,107.0497,13839082,2879,Chemical info is verified,
StNorman328,Cocaine,CAS_RN: 50-36-2,CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC,CN1C2CCC1C(C(C2)OC(=O)c1ccccc1)C(=O)OC,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3",ZPUCINDJVBIVPJ-UHFFFAOYSA-N,303.1471,304.1549,302.1392,10194104,2826,Chemical info is not verified,
StNorman329,Dihydrocodeine,CAS_RN: 125-28-0,COc1ccc2C[C@@H]3[C@@H]4CC[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C,COc1ccc2CC3C4CCC(O)C5Oc1c2C45CCN3C,"InChI=1S/C18H23NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3",RBOXVHNMENFORY-UHFFFAOYSA-N,301.1678,302.1756,300.16,4447600,3063,Chemical info is not verified,
StNorman330,Heroin,CAS_RN: 561-27-3,CN1CC[C@]23[C@H]4Oc5c(OC(C)=O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4OC(C)=O)c35,CN1CCC23C4Oc5c(OC(=O)C)ccc(CC1C2C=CC4OC(=O)C)c35,"InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3",GVGLGOZIDCSQPN-UHFFFAOYSA-N,369.1576,370.1654,368.1498,4575379,3592,Chemical info is not verified,
StNorman331,Morphine,CAS_RN: 57-27-2,O.O.O.O.O.CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35.O[S](O)(=O)=O,CN1CCC23C4Oc5c(O)ccc(CC1C2C=CC4O)c35,"InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3",BQJCRHHNABKAKU-UHFFFAOYSA-N,285.1365,286.1443,284.1287,4450907,4253,Chemical info is not verified,
StNorman332,Oxycodone,CAS_RN: 76-42-6,COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O,COc1ccc2CC3N(C)CCC45C(Oc1c24)C(=O)CCC35O,"InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3",BRUQQQPBMZOVGD-UHFFFAOYSA-N,315.1471,316.1549,314.1392,4447649,4635,Chemical info is not verified,
StNorman333,Benzothiazole,CAS_RN: 95-16-9,s1cnc2ccccc12,s1cnc2ccccc12,InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,IOJUPLGTWVMSFF-UHFFFAOYSA-N,135.0143,136.0221,134.0064,6952,7222,Chemical info is verified,
StNorman334,2-Mercapto-benzothiazole,CAS_RN: 149-30-4,S=C1Nc2ccccc2S1,S=c1[nH]c2ccccc2s1,"InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)",YXIWHUQXZSMYRE-UHFFFAOYSA-N,166.9863,167.9942,165.9785,608157,697993,Chemical info is verified,
StNorman335,Benzothiazol-2-sulfonic acid,CAS_RN: 941-57-1,O[S](=O)(=O)c1sc2ccccc2n1,OS(=O)(=O)c1sc2ccccc2n1,"InChI=1S/C7H5NO3S2/c9-13(10,11)7-8-5-3-1-2-4-6(5)12-7/h1-4H,(H,9,10,11)",ZCXGMSGCBDSEOY-UHFFFAOYSA-N,214.9711,215.9789,213.9633,28443,30647,Chemical info is verified,
StNorman336,Cotinine,CAS_RN: 486-56-6,CN1C(CCC1=O)c2cccnc2,CN1C(CCC1=O)c1cccnc1,"InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3",UIKROCXWUNQSPJ-UHFFFAOYSA-N,176.095,177.1028,175.0871,746405,408,Chemical info is verified,
StNorman337,Diphenyltin ion,CAS_RN: 1135-99-5,C1=CC=C(C=C1)[Sn]C2=CC=CC=C2,C1=CC=C(C=C1)[Sn]C2=CC=CC=C2,InChI=1S/2C6H5.Sn/c2*1-2-4-6-5-3-1;/h2*1-5H;,KUCPUSUXIGWHFB-UHFFFAOYSA-N,273.9805,274.9883,272.9725,13703,70535,Chemical info is not verified,
StNorman338,AHDI (Phantolide),CAS_RN: 15323-35-0,CC1C(C)(C)c2cc(C)c(cc2C1(C)C)C(C)=O,CC1C(C)(C)c2cc(C)c(cc2C1(C)C)C(=O)C,"InChI=1S/C17H24O/c1-10-8-14-15(9-13(10)11(2)18)17(6,7)12(3)16(14,4)5/h8-9,12H,1-7H3",VDBHOHJWUDKDRW-UHFFFAOYSA-N,244.1827,245.1905,243.1749,42929,47167,Chemical info is verified,
StNorman339,ADBI (Celestolide),CAS_RN: 13171-00-1,CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,"InChI=1S/C17H24O/c1-11(18)14-9-12(16(2,3)4)10-15-13(14)7-8-17(15,5)6/h9-10H,7-8H2,1-6H3",IKTHMQYJOWTSJO-UHFFFAOYSA-N,244.1827,245.1905,243.1749,55495,61585,Chemical info is verified,
StNorman340,ATII (Traseolide),CAS_RN: 68140-48-7,CC(C)C1C(C)C(C)(C)c2cc(C)c(cc12)C(C)=O,CC(C)C1C(C)C(C)(C)c2cc(C)c(cc12)C(=O)C,"InChI=1S/C18H26O/c1-10(2)17-12(4)18(6,7)16-8-11(3)14(13(5)19)9-15(16)17/h8-10,12,17H,1-7H3",IMRYETFJNLKUHK-UHFFFAOYSA-N,258.1984,259.2062,257.1905,829,91696,Chemical info is not verified,
StNorman341,4-tert-Butylphenol,CAS_RN: 98-54-4,CC(C)(C)c1ccc(O)cc1,CC(C)(C)c1ccc(O)cc1,"InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3",QHPQWRBYOIRBIT-UHFFFAOYSA-N,150.1045,151.1123,149.0966,13846663,7393,Chemical info is verified,
StNorman342,Tetrabromobisphenol A,CAS_RN: 79-94-7,CC(C)(c1cc(Br)c(O)c(Br)c1)c2cc(Br)c(O)c(Br)c2,CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1,"InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3",VEORPZCZECFIRK-UHFFFAOYSA-N,539.7571,540.7649,538.7493,6366,6618,Chemical info is verified,
StNorman343,Musk ambrette,CAS_RN: 83-66-9,COc1c(cc(c(C)c1[N+]([O-])=O)[N+]([O-])=O)C(C)(C)C,COc1c(cc(c(C)c1N(=O)=O)N(=O)=O)C(C)(C)C,"InChI=1S/C12H16N2O5/c1-7-9(13(15)16)6-8(12(2,3)4)11(19-5)10(7)14(17)18/h6H,1-5H3",SUAUILGSCPYJCS-UHFFFAOYSA-N,268.1059,269.1137,267.0981,6496,6753,Chemical info is verified,
StNorman344,Tetramethyl lead,CAS_RN: 75-74-1,C[Pb](C)(C)C,C[Pb](C)(C)C,InChI=1S/4CH3.Pb/h4*1H3;,XOOGZRUBTYCLHG-UHFFFAOYSA-N,268.0705,269.0784,267.0627,6154,6394,Chemical info is verified,
StNorman345,Tetraethyl lead,CAS_RN: 78-00-2,CC[Pb](CC)(CC)CC,CC[Pb](CC)(CC)CC,"InChI=1S/4C2H5.Pb/c4*1-2;/h4*1H2,2H3;",MRMOZBOQVYRSEM-UHFFFAOYSA-N,324.1331,325.141,323.1253,6265,NA,Chemical info is not verified,
StNorman346,Citalopram,CAS_RN: 59729-32-7,[H+].[Br-].CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3,CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1,"InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3",WSEQXVZVJXJVFP-UHFFFAOYSA-N,324.1638,325.1716,323.156,70381,2771,Chemical info is verified,
StNorman347,Escitalopram,CAS_RN: 128196-01-0,CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c3ccc(F)cc3,CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1,"InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3",WSEQXVZVJXJVFP-UHFFFAOYSA-N,324.1638,325.1716,323.156,129277,2771,Chemical info is verified,
StNorman348,Sertraline,CAS_RN: 79617-96-2,CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c3ccccc13,CNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc12,"InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3",VGKDLMBJGBXTGI-UHFFFAOYSA-N,305.0738,306.0816,304.066,61881,5203,Chemical info is verified,
StNorman349,Fluoxetine,CAS_RN: 54910-89-3,CNCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2,CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1,"InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3",RTHCYVBBDHJXIQ-UHFFFAOYSA-N,309.134,310.1419,308.1262,3269,3386,Chemical info is verified,
StNorman350,Prednisolone,CAS_RN: 50-24-8,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO,"InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3",OIGNJSKKLXVSLS-UHFFFAOYSA-N,360.1937,361.2015,359.1858,5552,4894,Chemical info is not verified,
StNorman351,Dexamethasone,CAS_RN: 50-02-2,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3",UREBDLICKHMUKA-UHFFFAOYSA-N,392.1999,393.2077,391.1921,5541,3003,Chemical info is verified,
StNorman352,Betamethasone,CAS_RN: 378-44-9,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3",UREBDLICKHMUKA-UHFFFAOYSA-N,392.1999,393.2077,391.1921,9399,3003,Chemical info is verified,
StNorman353,Clotrimazole,CAS_RN: 23593-75-1,Clc1ccccc1C(n2ccnc2)(c3ccccc3)c4ccccc4,Clc1ccccc1C(n1ccnc1)(c1ccccc1)c1ccccc1,"InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H",VNFPBHJOKIVQEB-UHFFFAOYSA-N,344.108,345.1159,343.1002,2710,2812,Chemical info is verified,
StNorman354,"1,2,3-Benzotriazole",CAS_RN: 95-14-7,[nH]1nc2ccccc2n1,[nH]1nc2ccccc2n1,"InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)",QRUDEWIWKLJBPS-UHFFFAOYSA-N,119.0483,120.0562,118.0405,6950,7220,Chemical info is verified,
StNorman355,Hydrazine,CAS_RN: 302-01-2,NN,NN,InChI=1S/H4N2/c1-2/h1-2H2,OAKJQQAXSVQMHS-UHFFFAOYSA-N,32.0374,33.0453,31.0296,8960,9321,Chemical info is verified,
StNorman356,"1,1,1,3,3-Pentachloropropanone",CAS_RN: 1768-31-6,ClC(Cl)C(=O)C(Cl)(Cl)Cl,ClC(Cl)C(=O)C(Cl)(Cl)Cl,"InChI=1S/C3HCl5O/c4-2(5)1(9)3(6,7)8/h2H",RVSIFWBAGVMQKT-UHFFFAOYSA-N,227.847,228.8548,226.8392,14908,15673,Chemical info is verified,
StNorman357,"1,1,1,3-Tetrachloropropanone",CAS_RN: 16995-35-0,ClCC(=O)C(Cl)(Cl)Cl,ClCC(=O)C(Cl)(Cl)Cl,"InChI=1S/C3H2Cl4O/c4-1-2(8)3(5,6)7/h1H2",MSZQBKOLHPDFFD-UHFFFAOYSA-N,193.886,194.8938,192.8782,26223,28188,Chemical info is verified,
StNorman358,"1,1,3,3-Tetrachloropropanone",CAS_RN: 632-21-3,ClC(Cl)C(=O)C(Cl)Cl,ClC(Cl)C(=O)C(Cl)Cl,InChI=1S/C3H2Cl4O/c4-2(5)1(8)3(6)7/h2-3H,DJWVKJAGMVZYFP-UHFFFAOYSA-N,193.886,194.8938,192.8782,11929,12436,Chemical info is verified,
StNorman359,"1,1,3-Trichloropropanone",CAS_RN: 921-03-9,ClCC(=O)C(Cl)Cl,ClCC(=O)C(Cl)Cl,"InChI=1S/C3H3Cl3O/c4-1-2(7)3(5)6/h3H,1H2",ZWILTCXCTVMANU-UHFFFAOYSA-N,159.9249,160.9328,158.9171,21106515,13530,Chemical info is verified,
StNorman360,"1,1-Dibromopropanone",CAS_RN: 867-54-9,CC(=O)C(Br)Br,CC(=O)C(Br)Br,"InChI=1S/C3H4Br2O/c1-2(6)3(4)5/h3H,1H3",ZABBFAHZPHMIJC-UHFFFAOYSA-N,213.8629,214.8707,212.8551,470332,540118,Chemical info is not verified,
StNorman361,"1,3-Dichloroketone",CAS_RN: 534-07-6,ClCC(=O)CCl,ClCC(=O)CCl,InChI=1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2,SUNMBRGCANLOEG-UHFFFAOYSA-N,125.9639,126.9717,124.9561,21106513,10793,Chemical info is verified,
StNorman362,"2,3,5-Tribromopyrrole",CAS_RN: 74039-30-8,OC(=O)c1[nH]c(Br)c(Br)c1Br,OC(=O)c1[nH]c(Br)c(Br)c1Br,"InChI=1S/C5H2Br3NO2/c6-1-2(7)4(8)9-3(1)5(10)11/h9H,(H,10,11)",GPADKIKEHFMOHG-UHFFFAOYSA-N,344.7636,345.7714,343.7557,2318687,3057454,Chemical info is not verified,
StNorman363,2-Chloroacetamide,CAS_RN: 79-07-2,NC(=O)CCl,NC(=O)CCl,"InChI=1S/C2H4ClNO/c3-1-2(4)5/h1H2,(H2,4,5)",VXIVSQZSERGHQP-UHFFFAOYSA-N,92.9981,94.006,91.9903,6332,6580,Chemical info is verified,
StNorman364,2-Chlorophenol,CAS_RN: 95-57-8,Oc1ccccc1Cl,Oc1ccccc1Cl,"InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H",ISPYQTSUDJAMAB-UHFFFAOYSA-N,128.0029,129.0107,126.9951,13837686,7245,Chemical info is verified,
StNorman365,4-Chlorophenol,CAS_RN: 106-48-9,Oc1ccc(Cl)cc1,Oc1ccc(Cl)cc1,"InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H",WXNZTHHGJRFXKQ-UHFFFAOYSA-N,128.0029,129.0107,126.9951,13875219,4684,Chemical info is verified,
StNorman366,Bromoacetonitrile,CAS_RN: 590-17-0,BrCC#N,BrCC#N,InChI=1S/C2H2BrN/c3-1-2-4/h1H2,REXUYBKPWIPONM-UHFFFAOYSA-N,118.9371,119.9449,117.9292,11050,11534,Chemical info is verified,
StNorman367,Bromodichloroacetic acid,CAS_RN: 71133-14-7,OC(=O)C(Cl)(Cl)Br,OC(=O)C(Cl)(Cl)Br,"InChI=1S/C2HBrCl2O2/c3-2(4,5)1(6)7/h(H,6,7)",XSWVFEQKZFUULO-UHFFFAOYSA-N,205.8537,206.8615,204.8459,102774,114809,Chemical info is verified,
StNorman368,Bromodichloronitromethane,CAS_RN: 918-02-5,C[NH+](C)C(C)(C)C,CN(C)C(C)(C)C,"InChI=1S/C6H15N/c1-6(2,3)7(4)5/h1-5H3",OXQMIXBVXHWDPX-UHFFFAOYSA-N,101.1204,102.1283,100.1126,63376,70190,Chemical info is verified,
StNorman369,Bromodiiodomethane,CAS_RN: 557-95-9,BrC(I)I,BrC(I)I,InChI=1S/CHBrI2/c2-1(3)4/h1H,PTGIGXMFLYACDM-UHFFFAOYSA-N,345.7351,346.7429,344.7273,61691,68408,Chemical info is verified,
StNorman370,Bromochloroacetaldehyde,CAS_RN: 98136-99-3,C(=O)C(Cl)Br,C(=O)C(Cl)Br,InChI=1S/C2H2BrClO/c3-2(4)1-5/h1-2H,HGDYZULTRRRRFK-UHFFFAOYSA-N,155.8978,156.9056,154.8899,472648,542763,Chemical info is not verified,
StNorman371,Bromochloroacetamide,CAS_RN: 62872-34-8,BrC(Cl)C(N)=O,BrC(Cl)C(=O)N,"InChI=1S/C2H3BrClNO/c3-1(4)2(5)6/h1H,(H2,5,6)",GKRKWDWETUTQOT-UHFFFAOYSA-N,170.9087,171.9165,169.9008,10478349,21775919,Chemical info is not verified,
StNorman372,Bromochloroacetic acid,CAS_RN: 5589-96-8,OC(=O)C(Cl)Br,OC(=O)C(Cl)Br,"InChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6)",GEHJBWKLJVFKPS-UHFFFAOYSA-N,171.8927,172.9005,170.8848,82663,542762,Chemical info is verified,
StNorman373,Bromochloroacetonitrile,CAS_RN: 83463-62-1,ClC(Br)C#N,ClC(Br)C#N,InChI=1S/C2HBrClN/c3-2(4)1-5/h2H,BMWPPNAUMLRKML-UHFFFAOYSA-N,152.8981,153.9059,151.8903,49670,55004,Chemical info is verified,
StNorman374,Bromochloroiodomethane,CAS_RN: 34970-00-8,ClC(Br)I,ClC(Br)I,InChI=1S/CHBrClI/c2-1(3)4/h1H,WUHPSARYLVYQOT-UHFFFAOYSA-N,253.7995,254.8073,252.7917,33968,37017,Chemical info is verified,
StNorman375,Bromochloromethane,CAS_RN: 74-97-5,ClCBr,ClCBr,InChI=1S/CH2BrCl/c2-1-3/h1H2,JPOXNPPZZKNXOV-UHFFFAOYSA-N,127.9028,128.9107,126.895,6093,6333,Chemical info is verified,
StNorman376,Bromochloronitromethane,CAS_RN: 135531-25-8,C([N+](=O)[O-])(Cl)Br,C(N(=O)=O)(Cl)Br,InChI=1S/CHBrClNO2/c2-1(3)4(5)6/h1H,QUGLTGHXUDTPKJ-UHFFFAOYSA-N,172.8879,173.8957,171.8801,506087,582251,Chemical info is verified,
StNorman377,Bromoiodoacetamide,CAS_RN: 62872-36-0,BrC(I)C(N)=O,BrC(I)C(=O)N,"InChI=1S/C2H3BrINO/c3-1(4)2(5)6/h1H,(H2,5,6)",XQMKVQDLGURGON-UHFFFAOYSA-N,262.8443,263.8521,261.8364,10478351,21775921,Chemical info is not verified,
StNorman378,Bromonitromethane,CAS_RN: 563-70-2,[O-][N+](=O)CBr,O=N(=O)CBr,InChI=1S/CH2BrNO2/c2-1-3(4)5/h1H2,DNPRVXJGNANVCZ-UHFFFAOYSA-N,138.9269,139.9347,137.9191,61706,68423,Chemical info is verified,
StNorman379,Dibromoacetamide,CAS_RN: 598-70-9,NC(=O)C(Br)Br,NC(=O)C(Br)Br,"InChI=1S/C2H3Br2NO/c3-1(4)2(5)6/h1H,(H2,5,6)",YUIKPESWSMJSMP-UHFFFAOYSA-N,214.8581,215.866,213.8503,62247,69025,Chemical info is verified,
StNorman380,Dibromoacetonitrile,CAS_RN: 3252-43-5,BrC(Br)C#N,BrC(Br)C#N,InChI=1S/C2HBr2N/c3-2(4)1-5/h2H,NDSBDLSWTGLNQA-UHFFFAOYSA-N,196.8476,197.8554,195.8397,17583,18617,Chemical info is verified,
StNorman381,Dibromodichloromethane,CAS_RN: 594-18-3,ClC(Cl)(Br)Br,ClC(Cl)(Br)Br,"InChI=1S/CBr2Cl2/c2-1(3,4)5",IHUREIPXVFKEDT-UHFFFAOYSA-N,239.7744,240.7822,238.7666,11169,11659,Chemical info is verified,
StNorman382,Dibromochloroacetic acid,CAS_RN: 5278-95-5,OC(=O)C(Cl)(Br)Br,OC(=O)C(Cl)(Br)Br,"InChI=1S/C2HBr2ClO2/c3-2(4,5)1(6)7/h(H,6,7)",UCZDDMGNCJJAHK-UHFFFAOYSA-N,249.8032,250.811,248.7954,103133,115266,Chemical info is verified,
StNorman383,Dibromochloronitromethane,CAS_RN: 1184-89-0,C([N+](=O)[O-])(Cl)(Br)Br,C(N(=O)=O)(Cl)(Br)Br,"InChI=1S/CBr2ClNO2/c2-1(3,4)5(6)7",TWDGXJVDOONOHS-UHFFFAOYSA-N,250.7984,251.8063,249.7906,530266,610004,Chemical info is verified,
StNorman384,Dibromoiodomethane,CAS_RN: 593-94-2,BrC(Br)I,BrC(Br)I,InChI=1S/CHBr2I/c2-1(3)4/h1H,SZVSEQHMMFKGEI-UHFFFAOYSA-N,297.749,298.7568,296.7411,11163,11653,Chemical info is not verified,
StNorman385,Dibromomethane,CAS_RN: 74-95-3,BrCBr,BrCBr,InChI=1S/CH2Br2/c2-1-3/h1H2,FJBFPHVGVWTDIP-UHFFFAOYSA-N,171.8523,172.8602,170.8445,2916,3024,Chemical info is verified,
StNorman386,Dibromonitromethane,CAS_RN: 598-91-4,[O-][N+](=O)C(Br)Br,O=N(=O)C(Br)Br,InChI=1S/CHBr2NO2/c2-1(3)4(5)6/h1H,GQEVYCCMYUNRHJ-UHFFFAOYSA-N,216.8374,217.8452,215.8296,62248,69026,Chemical info is verified,
StNorman387,Dichloroacetaldehyde,CAS_RN: 79-02-7,ClC(Cl)C=O,ClC(Cl)C=O,InChI=1S/C2H2Cl2O/c3-2(4)1-5/h1-2H,NWQWQKUXRJYXFH-UHFFFAOYSA-N,111.9483,112.9561,110.9404,21106511,6576,Chemical info is verified,
StNorman388,"2,2-Dichloroacetamide",CAS_RN: 683-72-7,NC(=O)C(Cl)Cl,NC(=O)C(Cl)Cl,"InChI=1S/C2H3Cl2NO/c3-1(4)2(5)6/h1H,(H2,5,6)",WCGGWVOVFQNRRS-UHFFFAOYSA-N,126.9592,127.967,125.9513,12173,12694,Chemical info is verified,
StNorman389,Dichloroacetonitrile,CAS_RN: 3018-12-0,ClC(Cl)C#N,ClC(Cl)C#N,InChI=1S/C2HCl2N/c3-2(4)1-5/h2H,STZZWJCGRKXEFF-UHFFFAOYSA-N,108.9486,109.9564,107.9408,21106099,18177,Chemical info is verified,
StNorman390,Dichloroiodomethane,CAS_RN: 594-04-7,ClC(Cl)I,ClC(Cl)I,InChI=1S/CHCl2I/c2-1(3)4/h1H,HNLZCOJXSLDGKD-UHFFFAOYSA-N,209.85,210.8578,208.8422,11165,11655,Chemical info is verified,
StNorman391,Dichloronitromethane,CAS_RN: 7119-89-3,[O-][N+](=O)C(Cl)Cl,O=N(=O)C(Cl)Cl,InChI=1S/CHCl2NO2/c2-1(3)4(5)6/h1H,XUNYLLBGLKGFHO-UHFFFAOYSA-N,128.9384,129.9463,127.9306,145107,165571,Chemical info is verified,
StNorman392,Diiodoacetamide,CAS_RN: 5875-23-0,IC(I)C(N)=O,IC(I)C(=O)N,"InChI=1S/C2H3I2NO/c3-1(4)2(5)6/h1H,(H2,5,6)",YFDNDAZSTPQDTM-UHFFFAOYSA-N,310.8304,311.8382,309.8226,10478352,21775922,Chemical info is not verified,
StNorman393,Hexachloropropanone,CAS_RN: 116-16-5,ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl,ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl,"InChI=1S/C3Cl6O/c4-2(5,6)1(10)3(7,8)9",DOJXGHGHTWFZHK-UHFFFAOYSA-N,261.808,262.8159,260.8002,13873693,8303,Chemical info is verified,
StNorman394,Chloroacetaldehyde,CAS_RN: 107-20-0,ClCC=O,ClCC=O,"InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2",QSKPIOLLBIHNAC-UHFFFAOYSA-N,77.9872,78.9951,76.9794,21106502,33,Chemical info is verified,
StNorman395,Chloroacetonitrile,CAS_RN: 107-14-2,ClCC#N,ClCC#N,InChI=1S/C2H2ClN/c3-1-2-4/h1H2,RENMDAKOXSCIGH-UHFFFAOYSA-N,74.9876,75.9954,73.9798,7568,7856,Chemical info is verified,
StNorman396,Chlorodiiodomethane,CAS_RN: 638-79-9,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,"InChI=1S/C5F11I/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17",KCEJJSGJNCSQFI-UHFFFAOYSA-N,395.8869,396.8947,394.8791,62700,69494,Chemical info is verified,
StNorman397,2-chloro-2-iodo-acetamide,CAS_RN: 62872-35-9,ClC(I)C(N)=O,ClC(I)C(=O)N,"InChI=1S/C2H3ClINO/c3-1(4)2(5)6/h1H,(H2,5,6)",UWWIMPAKBITDPS-UHFFFAOYSA-N,218.8948,219.9026,217.887,10478350,21775920,Chemical info is not verified,
StNorman398,Chloronitromethane,CAS_RN: 1794-84-9,[O-][N+](=O)CCl,O=N(=O)CCl,InChI=1S/CH2ClNO2/c2-1-3(4)5/h1H2,CGKPGVZMSKVVOF-UHFFFAOYSA-N,94.9774,95.9852,93.9696,67110,74529,Chemical info is verified,
StNorman399,Iodoacetamide,CAS_RN: 144-48-9,NC(=O)CI,NC(=O)CI,"InChI=1S/C2H4INO/c3-1-2(4)5/h1H2,(H2,4,5)",PGLTVOMIXTUURA-UHFFFAOYSA-N,184.9338,185.9416,183.9259,3596,3727,Chemical info is verified,
StNorman400,Iodoacetic acid,CAS_RN: 64-69-7,OC(=O)CI,OC(=O)CI,"InChI=1S/C2H3IO2/c3-1-2(4)5/h1H2,(H,4,5)",JDNTWHVOXJZDSN-UHFFFAOYSA-N,185.9178,186.9256,184.9099,5050,5240,Chemical info is verified,
StNorman401,Iodoacetonitrile,CAS_RN: 624-75-9,ICC#N,ICC#N,InChI=1S/C2H2IN/c3-1-2-4/h1H2,VODKOOOHHCAWFR-UHFFFAOYSA-N,166.9232,167.931,165.9154,62565,69356,Chemical info is verified,
StNorman402,Iodoform,CAS_RN: 75-47-8,IC(I)I,IC(I)I,InChI=1S/CHI3/c2-1(3)4/h1H,OKJPEAGHQZHRQV-UHFFFAOYSA-N,393.7212,394.7291,392.7134,6134,6374,Chemical info is verified,
StNorman403,Mucochloric acid,CAS_RN: 87-56-9,OC(=O)/C(Cl)=C(/Cl)C=O,OC(=O)/C(=C(/Cl)\C=O)/Cl,"InChI=1S/C4H2Cl2O3/c5-2(1-7)3(6)4(8)9/h1H,(H,8,9)/b3-2-",LUMLZKVIXLWTCI-IHWYPQMZSA-N,167.9381,168.9459,166.9303,59968,2771871,Chemical info is verified,
StNorman404,Mutagen X,CAS_RN: 77439-76-0,OC1OC(=O)C(=C1C(Cl)Cl)Cl,OC1OC(=O)C(=C1C(Cl)Cl)Cl,"InChI=1S/C5H3Cl3O3/c6-2-1(3(7)8)4(9)11-5(2)10/h3-4,9H",WNTRMRXAGJOLCU-UHFFFAOYSA-N,215.9148,216.9226,214.907,48451,53665,Chemical info is verified,
StNorman405,N-bromoacetamide,CAS_RN: 79-15-2,CC(=O)NBr,CC(=O)NBr,"InChI=1S/C2H4BrNO/c1-2(5)4-3/h1H3,(H,4,5)",VBTQNRFWXBXZQR-UHFFFAOYSA-N,136.9476,137.9555,135.9398,4200,4353,Chemical info is verified,
StNorman406,N-Nitrosodibutylamine,CAS_RN: 924-16-3,CCCCN(CCCC)N=O,CCCCN(CCCC)N=O,"InChI=1S/C8H18N2O/c1-3-5-7-10(9-11)8-6-4-2/h3-8H2,1-2H3",YGJHZCLPZAZIHH-UHFFFAOYSA-N,158.1419,159.1497,157.1341,12954,13542,Chemical info is verified,
StNorman407,4-nitrosomorpholine,CAS_RN: 59-89-2,O=NN1CCOCC1,O=NN1CCOCC1,InChI=1S/C4H8N2O2/c7-5-6-1-3-8-4-2-6/h1-4H2,ZKXDGKXYMTYWTB-UHFFFAOYSA-N,116.0586,117.0664,115.0508,5823,6046,Chemical info is verified,
StNorman408,N-nitrosodiethylamine,CAS_RN: 55-18-5,CCN(CC)N=O,CCN(CC)N=O,"InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3",WBNQDOYYEUMPFS-UHFFFAOYSA-N,102.0793,103.0871,101.0715,5708,5921,Chemical info is verified,
StNorman409,N-nitrosodiphenylamine,CAS_RN: 86-30-6,O=NN(c1ccccc1)c2ccccc2,O=NN(c1ccccc1)c1ccccc1,InChI=1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,UBUCNCOMADRQHX-UHFFFAOYSA-N,198.0793,199.0871,197.0715,6577,6838,Chemical info is verified,
StNorman410,N-nitrosomethylethylamine,CAS_RN: 10595-95-6,CCN(C)N=O,CCN(C)N=O,"InChI=1S/C3H8N2O/c1-3-5(2)4-6/h3H2,1-2H3",RTDCJKARQCRONF-UHFFFAOYSA-N,88.0637,89.0715,87.0558,23730,25418,Chemical info is verified,
StNorman411,N-nitrosopiperidine,CAS_RN: 100-75-4,O=NN1CCCCC1,O=NN1CCCCC1,InChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2,UWSDONTXWQOZFN-UHFFFAOYSA-N,114.0793,115.0871,113.0715,7245,7526,Chemical info is verified,
StNorman412,N-Nitrosopyrrolidine,CAS_RN: 930-55-2,O=NN1CCCC1,O=NN1CCCC1,InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2,WNYADZVDBIBLJJ-UHFFFAOYSA-N,100.0637,101.0715,99.0558,13002,13591,Chemical info is verified,
StNorman413,Tribromoacetaldehyde,CAS_RN: 115-17-3,BrC(Br)(Br)C=O,BrC(Br)(Br)C=O,"InChI=1S/C2HBr3O/c3-2(4,5)1-6/h1H",YTGSYRVSBPFKMQ-UHFFFAOYSA-N,277.7578,278.7656,276.7499,66906,8256,Chemical info is not verified,
StNorman414,Tribromoacetamide,CAS_RN: 594-47-8,C(=O)(C(Br)(Br)Br)N,C(=O)(C(Br)(Br)Br)N,"InChI=1S/C2H2Br3NO/c3-2(4,5)1(6)7/h(H2,6,7)",ORCCSQMJUGMAQU-UHFFFAOYSA-N,292.7687,293.7765,291.7608,10468568,13257766,Chemical info is not verified,
StNorman415,Tribromoacetic acid,CAS_RN: 75-96-7,[O-]C(=O)C(Br)(Br)Br,OC(=O)C(Br)(Br)Br,"InChI=1S/C2HBr3O2/c3-2(4,5)1(6)7/h(H,6,7)",QIONYIKHPASLHO-UHFFFAOYSA-N,293.7527,294.7605,292.7448,6175,6415,Chemical info is verified,
StNorman416,Tribromonitromethane,CAS_RN: 464-10-8,[O-][N+](=O)C(Br)(Br)Br,O=N(=O)C(Br)(Br)Br,"InChI=1S/CBr3NO2/c2-1(3,4)5(6)7",QQZIUHOKWDFXEY-UHFFFAOYSA-N,294.7479,295.7557,293.7401,9651,10046,Chemical info is verified,
StNorman417,Trichloroacetamide,CAS_RN: 594-65-0,NC(=O)C(Cl)(Cl)Cl,NC(=O)C(Cl)(Cl)Cl,"InChI=1S/C2H2Cl3NO/c3-2(4,5)1(6)7/h(H2,6,7)",UPQQXPKAYZYUKO-UHFFFAOYSA-N,160.9202,161.928,159.9124,5359,61144,Chemical info is not verified,
StNorman418,Trichloroacetonitrile,CAS_RN: 545-06-2,ClC(Cl)(Cl)C#N,ClC(Cl)(Cl)C#N,"InChI=1S/C2Cl3N/c3-2(4,5)1-6",DRUIESSIVFYOMK-UHFFFAOYSA-N,142.9096,143.9175,141.9018,13861934,11011,Chemical info is verified,
StNorman419,Tris(2-ethylhexyl) phosphate,CAS_RN: 78-42-2,CCCCC(CC)CO[P](=O)(OCC(CC)CCCC)OCC(CC)CCCC,CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC,"InChI=1S/C24H51O4P/c1-7-13-16-22(10-4)19-26-29(25,27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3",GTVWRXDRKAHEAD-UHFFFAOYSA-N,434.3525,435.3603,433.3447,6289,6537,Chemical info is verified,
StNorman420,"Tris(2,3-dichloropropyl) phosphate",CAS_RN: 78-43-3,ClCC(Cl)CO[P](=O)(OCC(Cl)CCl)OCC(Cl)CCl,ClCC(Cl)COP(=O)(OCC(Cl)CCl)OCC(Cl)CCl,"InChI=1S/C9H15Cl6O4P/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h7-9H,1-6H2",JZZBTMVTLBHJHL-UHFFFAOYSA-N,427.8839,428.8917,426.8761,6290,6538,Chemical info is verified,
StNorman421,Sucralose,CAS_RN: 56038-13-2,OC[C@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1Cl,OCC1OC(OC2(CCl)OC(CCl)C(O)C2O)C(O)C(O)C1Cl,"InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2",BAQAVOSOZGMPRM-UHFFFAOYSA-N,396.0146,397.0224,395.0067,64561,5066234,Chemical info is not verified,
StNorman422,Triacetin,CAS_RN: 102-76-1,CC(=O)OCC(COC(C)=O)OC(C)=O,CC(=O)OCC(COC(=O)C)OC(=O)C,"InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3",URAYPUMNDPQOKB-UHFFFAOYSA-N,218.079,219.0869,217.0712,13835706,5541,Chemical info is verified,
StNorman423,Triethylcitrate,CAS_RN: 77-93-0,CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC,CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC,"InChI=1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3",DOOTYTYQINUNNV-UHFFFAOYSA-N,276.1209,277.1287,275.1131,13850879,6506,Chemical info is verified,
StNorman424,2-Ethylthioacetic acid ethylester,CAS_RN: 4455-13-4,CCOC(=O)CSC,CCOC(=O)CSC,"InChI=1S/C5H10O2S/c1-3-7-5(6)4-8-2/h3-4H2,1-2H3",MDIAKIHKBBNYHF-UHFFFAOYSA-N,134.0402,135.048,133.0323,70575,78199,Chemical info is verified,
StNorman425,2-Methylthioacetic acid ethylester,CAS_RN: 67-71-0,C[S](C)(=O)=O,CS(=O)(=O)C,"InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3",HHVIBTZHLRERCL-UHFFFAOYSA-N,94.0089,95.0167,93.001,5978,6213,Chemical info is verified,
StNorman426,3-Methylthiopropionic acid,CAS_RN: 646-01-5,CSCCC(O)=O,CSCCC(=O)O,"InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)",CAOMCZAIALVUPA-UHFFFAOYSA-N,120.0245,121.0323,119.0167,547,563,Chemical info is not verified,
StNorman427,Cyclopentadecanolide,CAS_RN: 106-02-5,O=C1CCCCCCCCCCCCCCO1,O=C1CCCCCCCCCCCCCCO1,InChI=1S/C15H28O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h1-14H2,FKUPPRZPSYCDRS-UHFFFAOYSA-N,240.2089,241.2168,239.2011,205386,235414,Chemical info is verified,
StNorman428,Dipropyltrisulfide,CAS_RN: 6028-61-1,CCCSSSCCC,CCCSSSCCC,"InChI=1S/C6H14S3/c1-3-5-7-9-8-6-4-2/h3-6H2,1-2H3",GAZXPZNJTZIGBO-UHFFFAOYSA-N,182.0258,183.0336,181.0179,21008,22383,Chemical info is verified,
StNorman429,Ethylene brassylate,CAS_RN: 105-95-3,O=C1CCCCCCCCCCCC(=O)OCCO1,O=C1CCCCCCCCCCCC(=O)OCCO1,InChI=1S/C15H26O4/c16-14-10-8-6-4-2-1-3-5-7-9-11-15(17)19-13-12-18-14/h1-13H2,XRHCAGNSDHCHFJ-UHFFFAOYSA-N,270.1831,271.1909,269.1753,54974,61014,Chemical info is verified,
StNorman430,Habanolide,CAS_RN: 34902-57-3,C1CCCCCCOC(=O)/C=C/CCCCC1,C1CCCCCCOC(=O)/C=C/CCCCC1,"InChI=1S/C15H26O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h11,13H,1-10,12,14H2/b13-11-",KHLFMZDGADSQGR-QBFSEMIESA-N,238.1933,239.2011,237.1855,10316010,10988342,Chemical info is not verified,
StNorman431,"1,1,2-Trichloroethane",CAS_RN: 79-00-5,ClCC(Cl)Cl,ClCC(Cl)Cl,"InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2",UBOXGVDOUJQMTN-UHFFFAOYSA-N,131.93,132.9379,130.9222,6326,6574,Chemical info is verified,
StNorman432,"1,3-Dinitropyrene",CAS_RN: 75321-20-9,[O-][N+](=O)c1cc(c2ccc3cccc4ccc1c2c34)[N+]([O-])=O,O=N(=O)c1cc(c2ccc3cccc4ccc1c2c34)N(=O)=O,InChI=1S/C16H8N2O4/c19-17(20)13-8-14(18(21)22)12-7-5-10-3-1-2-9-4-6-11(13)16(12)15(9)10/h1-8H,KTNUVDBUEAQUON-UHFFFAOYSA-N,292.0484,293.0562,291.0406,48083,53230,Chemical info is verified,
StNorman433,"1,6-Dinitropyrene",CAS_RN: 42397-64-8,[O-][N+](=O)c1ccc2ccc3c4c(ccc1c24)ccc3[N+]([O-])=O,O=N(=O)c1ccc2ccc3c4c(ccc1c24)ccc3N(=O)=O,InChI=1S/C16H8N2O4/c19-17(20)13-8-4-10-2-6-12-14(18(21)22)7-3-9-1-5-11(13)16(10)15(9)12/h1-8H,GUXACCKTQWVTLG-UHFFFAOYSA-N,292.0484,293.0562,291.0406,35848,39184,Chemical info is verified,
StNorman434,"1,8-Dinitropyrene",CAS_RN: 42397-65-9,[O-][N+](=O)c1ccc2ccc3ccc(c4ccc1c2c34)[N+]([O-])=O,O=N(=O)c1ccc2ccc3ccc(c4ccc1c2c34)N(=O)=O,InChI=1S/C16H8N2O4/c19-17(20)13-7-3-9-1-2-10-4-8-14(18(21)22)12-6-5-11(13)15(9)16(10)12/h1-8H,BLYXNIHKOMELAP-UHFFFAOYSA-N,292.0484,293.0562,291.0406,35849,39185,Chemical info is verified,
StNorman435,2-(2-Naphthalenyl)benzothiophene,CAS_RN: 17164-77-1,s1c2ccccc2cc1c3ccc4ccccc4c3,s1c2ccccc2cc1c1ccc2ccccc2c1,InChI=1S/C18H12S/c1-2-6-14-11-16(10-9-13(14)5-1)18-12-15-7-3-4-8-17(15)19-18/h1-12H,VXNMJAGOXHIGRF-UHFFFAOYSA-N,260.066,261.0738,259.0581,221944,253238,Chemical info is not verified,
StNorman436,3-Chloroaniline,CAS_RN: 108-42-9,Nc1cccc(Cl)c1,Nc1cccc(Cl)c1,"InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2",PNPCRKVUWYDDST-UHFFFAOYSA-N,127.0189,128.0267,126.0111,13869451,7932,Chemical info is verified,
StNorman437,4-Chloroaniline,CAS_RN: 106-47-8,Nc1ccc(Cl)cc1,Nc1ccc(Cl)cc1,"InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2",QSNSCYSYFYORTR-UHFFFAOYSA-N,127.0189,128.0267,126.0111,13869339,7812,Chemical info is verified,
StNorman438,3-Nitrobenzanthrone,CAS_RN: 17117-34-9,c1ccc2c(c1)-c3ccc(c4c3c(ccc4)C2=O)[N+](=O)[O-],c1ccc2c(c1)c1ccc(c3c1c(ccc3)C2=O)N(=O)=O,InChI=1S/C17H9NO3/c19-17-12-5-2-1-4-10(12)11-8-9-15(18(20)21)13-6-3-7-14(17)16(11)13/h1-9H,QAJOWHGESRCVLY-UHFFFAOYSA-N,275.0582,276.0661,274.0504,2103821,2825690,Chemical info is verified,
StNorman439,Acetaldehyde,CAS_RN: 75-07-0,CC=O,CC=O,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",IKHGUXGNUITLKF-UHFFFAOYSA-N,44.0262,45.034,43.0184,172,177,Chemical info is verified,
StNorman440,Aniline,CAS_RN: 62-53-3,Nc1ccccc1,Nc1ccccc1,"InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2",PAYRUJLWNCNPSJ-UHFFFAOYSA-N,93.0578,94.0657,92.05,5889,6115,Chemical info is verified,
StNorman441,7H-Benzo(de)anthracen-7-one (Benzanthrone),CAS_RN: 82-05-3,O=C1c2ccccc2c3cccc4cccc1c34,O=C1c2ccccc2c2cccc3cccc1c23,InChI=1S/C17H10O/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13/h1-10H,HUKPVYBUJRAUAG-UHFFFAOYSA-N,230.0732,231.081,229.0653,6442,6697,Chemical info is verified,
StNorman442,Benzenesulfonamide,CAS_RN: 98-10-2,N[S](=O)(=O)c1ccccc1,NS(=O)(=O)c1ccccc1,"InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)",KHBQMWCZKVMBLN-UHFFFAOYSA-N,157.0197,158.0276,156.0119,7092,NA,Chemical info is not verified,
StNorman443,Benzo(a)anthracene,CAS_RN: 56-55-3,c1ccc2cc3c(ccc4ccccc34)cc2c1,c1ccc2cc3c(ccc4ccccc34)cc2c1,InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H,DXBHBZVCASKNBY-UHFFFAOYSA-N,228.0939,229.1017,227.0861,5739,5954,Chemical info is verified,
StNorman444,Biphenyl,CAS_RN: 92-52-4,c1ccc(cc1)c2ccccc2,c1ccc(cc1)c1ccccc1,InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H,ZUOUZKKEUPVFJK-UHFFFAOYSA-N,154.0783,155.0861,153.0704,6828,7095,Chemical info is verified,
StNorman445,Dicyclohexylamin,CAS_RN: 101-83-7,C1CCC(CC1)NC2CCCCC2,C1CCC(CC1)NC1CCCCC1,"InChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2",XBPCUCUWBYBCDP-UHFFFAOYSA-N,181.183,182.1909,180.1752,7301,7582,Chemical info is verified,
StNorman446,Diphenylamine,CAS_RN: 122-39-4,N(c1ccccc1)c2ccccc2,N(c1ccccc1)c1ccccc1,"InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H",DMBHHRLKUKUOEG-UHFFFAOYSA-N,169.0891,170.097,168.0813,11003,11487,Chemical info is verified,
StNorman447,Tris(2-butoxyethyl) phosphate,CAS_RN: 78-51-3,CCCCOCCO[P](=O)(OCCOCCCC)OCCOCCCC,CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,"InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3",WTLBZVNBAKMVDP-UHFFFAOYSA-N,398.2433,399.2512,397.2355,6292,6540,Chemical info is verified,
StNorman448,Formaldehyde,CAS_RN: 50-00-0,C=O,C=O,InChI=1S/CH2O/c1-2/h1H2,WSFSSNUMVMOOMR-UHFFFAOYSA-N,30.0106,31.0184,29.0027,692,712,Chemical info is verified,
StNorman449,Hexa(methoxymethyl)melamine,CAS_RN: 68002-20-0,Nc1nc(N)nc(N)n1.C=O,Nc1nc(N)nc(N)n1,"InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)",JDSHMPZPIAZGSV-UHFFFAOYSA-N,126.0654,127.0732,125.0576,56259,7955,Chemical info is not verified,
StNorman450,Irganox 1076,CAS_RN: 2082-79-3,CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1S/C35H62O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38-32(36)25-24-29-27-30(34(2,3)4)33(37)31(28-29)35(5,6)7/h27-28,37H,8-26H2,1-7H3",SSDSCDGVMJFTEQ-UHFFFAOYSA-N,530.4699,531.4777,529.4621,15539,16386,Chemical info is verified,
StNorman451,N-methyl-Aniline,CAS_RN: 100-61-8,CNc1ccccc1,CNc1ccccc1,"InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3",AFBPFSWMIHJQDM-UHFFFAOYSA-N,107.0735,108.0813,106.0657,7234,7515,Chemical info is verified,
StNorman452,N-phenyl-naphthylamine,CAS_RN: 90-30-2,N(c1ccccc1)c2cccc3ccccc23,N(c1ccccc1)c1cccc2ccccc12,"InChI=1S/C16H13N/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17H",XQVWYOYUZDUNRW-UHFFFAOYSA-N,219.1048,220.1126,218.097,6746,7013,Chemical info is verified,
StNorman453,Polychlorinated biphenyls (PCBs) - Total,CAS_RN: 1336-36-3,Clc1cc(cc(Cl)c1Cl)c2cc(Cl)c(Cl)c(Cl)c2,Clc1cc(cc(Cl)c1Cl)c1cc(Cl)c(Cl)c(Cl)c1,InChI=1S/C12H4Cl6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H,ZHLICBPIXDOFFG-UHFFFAOYSA-N,357.8444,358.8522,356.8366,33316,36231,Chemical info is not verified,
StNorman454,Styrene,CAS_RN: 100-42-5,C=Cc1ccccc1,C=Cc1ccccc1,"InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2",PPBRXRYQALVLMV-UHFFFAOYSA-N,104.0626,105.0704,103.0548,7220,7501,Chemical info is verified,
StNorman455,Tetrachloromethane,CAS_RN: 56-23-5,ClC(Cl)(Cl)Cl,ClC(Cl)(Cl)Cl,"InChI=1S/CCl4/c2-1(3,4)5",VZGDMQKNWNREIO-UHFFFAOYSA-N,151.8754,152.8832,150.8676,5730,5943,Chemical info is verified,
StNorman456,Toluene,CAS_RN: 108-88-3,Cc1ccccc1,Cc1ccccc1,"InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",YXFVVABEGXRONW-UHFFFAOYSA-N,92.0626,93.0704,91.0548,1108,1140,Chemical info is verified,
StNorman457,Tris(1-chloro-2-propanyl) phosphate,CAS_RN: 13674-84-5,CC(CCl)O[P](=O)(OC(C)CCl)OC(C)CCl,CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl,"InChI=1S/C9H18Cl3O4P/c1-7(4-10)14-17(13,15-8(2)5-11)16-9(3)6-12/h7-9H,4-6H2,1-3H3",KVMPUXDNESXNOH-UHFFFAOYSA-N,326.0008,327.0087,324.993,24387,26176,Chemical info is verified,
StNorman458,Xylene (mixed isomers),CAS_RN: 1330-20-7,Cc1cccc(C)c1,Cc1cccc(C)c1,"InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3",IVSZLXZYQVIEFR-UHFFFAOYSA-N,106.0783,107.0861,105.0704,6967,7929,Chemical info is not verified,MIXTURE: https://comptox.epa.gov/dashboard/dsstoxdb/results?utf8=%E2%9C%93&search=1330-20-7
StNorman459,(1-Hydroxy-iso-propyl)acetophenone,CAS_RN: 1634-36-2,Cc1c(cccc1[N+](=O)[O-])N,Cc1c(cccc1N(=O)=O)N,"InChI=1S/C7H8N2O2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,8H2,1H3",HFCFJYRLBAANKN-UHFFFAOYSA-N,152.0586,153.0664,151.0508,11290,11783,Chemical info is not verified,
StNorman460,"1,1-Dichloro-2,2-diethoxyethane",CAS_RN: 619-33-0,CCOC(OCC)C(Cl)Cl,CCOC(OCC)C(Cl)Cl,"InChI=1S/C6H12Cl2O2/c1-3-9-6(5(7)8)10-4-2/h5-6H,3-4H2,1-2H3",CDHLQZJRWKQATP-UHFFFAOYSA-N,186.0214,187.0293,185.0136,21168824,12080,Chemical info is verified,
StNorman461,"1,1-Dimethyl-2-phenethylacetate",CAS_RN: 151-05-3,CC(=O)OC(C)(C)Cc1ccccc1,CC(=O)OC(C)(C)Cc1ccccc1,"InChI=1S/C12H16O2/c1-10(13)14-12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3",FLUWAIIVLCVEKF-UHFFFAOYSA-N,192.115,193.1229,191.1072,8673,9024,Chemical info is verified,
StNorman462,"1,2,3-Trichloropropene",CAS_RN: 96-19-5,ClC\C(Cl)=C\Cl,ClC/C(=C/Cl)/Cl,"InChI=1S/C3H3Cl3/c4-1-3(6)2-5/h1H,2H2/b3-1-",HIILBTHBHCLUER-IWQZZHSRSA-N,143.93,144.9379,142.9222,7014,5370144,Chemical info is verified,
StNorman463,"1,2,3-Trimethyl-1H-indene",CAS_RN: 4773-83-5,CC1c2ccccc2C(=C1C)C,CC1c2ccccc2C(=C1C)C,"InChI=1S/C12H14/c1-8-9(2)11-6-4-5-7-12(11)10(8)3/h4-7,9H,1-3H3",NPXPQDMZVKFLKB-UHFFFAOYSA-N,158.1096,159.1174,157.1017,511813,588778,Chemical info is not verified,
StNorman464,"1,3,3-Trimethyl-2-oxoindol",CAS_RN: 118-12-7,CN1C(=C)C(C)(C)c2ccccc12,CN1C(=C)C(C)(C)c2ccccc12,"InChI=1S/C12H15N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h5-8H,1H2,2-4H3",ZTUKGBOUHWYFGC-UHFFFAOYSA-N,173.1204,174.1283,172.1126,8048,8351,Chemical info is verified,
StNorman465,"1,3-Bis(1,1-dimethylethyl)-benzene",CAS_RN: 1014-60-4,CC(C)(C)c1cccc(c1)C(C)(C)C,CC(C)(C)c1cccc(c1)C(C)(C)C,"InChI=1S/C14H22/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6/h7-10H,1-6H3",ILNDSSCEZZFNGE-UHFFFAOYSA-N,190.1722,191.18,189.1643,120562,136810,Chemical info is verified,
StNorman466,"1,4-Bis(phenylmethyl) benzene",CAS_RN: 793-23-7,C(c1ccccc1)c2ccc(Cc3ccccc3)cc2,C(c1ccccc1)c1ccc(Cc2ccccc2)cc1,"InChI=1S/C20H18/c1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18/h1-14H,15-16H2",LTGXPINWZFIICV-UHFFFAOYSA-N,258.1409,259.1487,257.133,90820,236047,Chemical info is not verified,
StNorman467,"1,4-Dichlorobenzene",CAS_RN: 106-46-7,Clc1ccc(Cl)cc1,Clc1ccc(Cl)cc1,InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H,OCJBOOLMMGQPQU-UHFFFAOYSA-N,145.969,146.9768,144.9612,13866817,4685,Chemical info is verified,
StNorman468,1-Decanol,CAS_RN: 112-30-1,CCCCCCCCCCO,CCCCCCCCCCO,"InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3",MWKFXSUHUHTGQN-UHFFFAOYSA-N,158.1671,159.1749,157.1592,7882,8174,Chemical info is verified,
StNorman469,1H-Indole,CAS_RN: 8047-67-4,c1ccc2c(c1)ncc(n2)[N-]S(=O)(=O)c3ccc(cc3)N.[Na+],c1ccc2c(c1)ncc(n2)NS(=O)(=O)c1ccc(cc1)N,"InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18)",NHZLNPMOSADWGC-UHFFFAOYSA-N,300.0681,301.0759,299.0603,64664,5338,Chemical info is not verified,
StNorman470,1-Octanol,CAS_RN: 111-87-5,CCCCCCCCO,CCCCCCCCO,"InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3",KBPLFHHGFOOTCA-UHFFFAOYSA-N,130.1358,131.1436,129.1279,61478,957,Chemical info is not verified,
StNorman471,"1-Phenyl-1,3,3-trimethylindane",CAS_RN: 3910-35-8,CC1(C)CC(C)(c2ccccc2)c3ccccc13,CC1(C)CC(C)(c2ccccc2)c2ccccc12,"InChI=1S/C18H20/c1-17(2)13-18(3,14-9-5-4-6-10-14)16-12-8-7-11-15(16)17/h4-12H,13H2,1-3H3",ICLPNZMYHDVKKI-UHFFFAOYSA-N,236.1565,237.1643,235.1487,18644,19793,Chemical info is verified,
StNorman472,2-(Methylthio)benzothiazol,CAS_RN: 615-22-5,CSc1sc2ccccc2n1,CSc1sc2ccccc2n1,"InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3",UTBVIMLZIRIFFR-UHFFFAOYSA-N,181.002,182.0098,179.9942,11494,11989,Chemical info is verified,
StNorman473,"2,3-Diethyl-2,3-dimethylsuccinonitrile",CAS_RN: 85688-81-9,CCC(C)(C#N)C(C)(CC)C#N,CCC(C)(C#N)C(C)(CC)C#N,"InChI=1S/C10H16N2/c1-5-9(3,7-11)10(4,6-2)8-12/h5-6H2,1-4H3",YPKRPUBUHLHYRJ-UHFFFAOYSA-N,164.1313,165.1392,163.1235,128001,145087,Chemical info is verified,
StNorman474,"2,3-Dihydro-1-methyl-1H-indol",CAS_RN: 61-70-1,CN1C(=O)Cc2ccccc12,CN1C(=O)Cc2ccccc12,"InChI=1S/C9H9NO/c1-10-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3",RSQUAQMIGSMNNE-UHFFFAOYSA-N,147.0684,148.0762,146.0606,5871,6096,Chemical info is verified,
StNorman475,"2,4,6-Tribromoanisole",CAS_RN: 607-99-8,COc1c(Br)cc(Br)cc1Br,COc1c(Br)cc(Br)cc1Br,"InChI=1S/C7H5Br3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3",YXTRCOAFNXQTKL-UHFFFAOYSA-N,341.7891,342.7969,340.7812,21170966,11839,Chemical info is verified,
StNorman476,"2,4,6-Tribromophenol",CAS_RN: 118-79-6,Oc1c(Br)cc(Br)cc1Br,Oc1c(Br)cc(Br)cc1Br,"InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H",BSWWXRFVMJHFBN-UHFFFAOYSA-N,327.7734,328.7812,326.7656,1438,1483,Chemical info is verified,
StNorman477,"2,4-Dibromoanisole",CAS_RN: 21702-84-1,COc1ccc(Br)cc1Br,COc1ccc(Br)cc1Br,"InChI=1S/C7H6Br2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3",XGXUGXPKRBQINS-UHFFFAOYSA-N,263.8785,264.8864,262.8707,25152,27011,Chemical info is verified,
StNorman478,"2,4-Dibromophenol",CAS_RN: 615-58-7,Oc1ccc(Br)cc1Br,Oc1ccc(Br)cc1Br,"InChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H",FAXWFCTVSHEODL-UHFFFAOYSA-N,249.8629,250.8707,248.8551,11510,12005,Chemical info is verified,
StNorman479,"2,4-Dichlorophenol",CAS_RN: 120-83-2,Oc1ccc(Cl)cc1Cl,Oc1ccc(Cl)cc1Cl,"InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H",HFZWRUODUSTPEG-UHFFFAOYSA-N,161.9639,162.9717,160.9561,8140,8449,Chemical info is verified,
StNorman480,"2,6-Diethoxytetrahydropyran",CAS_RN: 3149-12-0,CCOC1CCCC(OCC)O1,CCOC1CCCC(OCC)O1,"InChI=1S/C9H18O3/c1-3-10-8-6-5-7-9(12-8)11-4-2/h8-9H,3-7H2,1-2H3",BIQXDHHBTSGBPW-UHFFFAOYSA-N,174.1256,175.1334,173.1178,229613,261532,Chemical info is not verified,
StNorman481,"2,6-Di-tert-butyl-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one",CAS_RN: 10396-80-2,CC(C)(C)C1=CC(C)(O)C=C(C1=O)C(C)(C)C,CC(C)(C)C1=CC(C)(O)C=C(C1=O)C(C)(C)C,"InChI=1S/C15H24O2/c1-13(2,3)10-8-15(7,17)9-11(12(10)16)14(4,5)6/h8-9,17H,1-7H3",DQBHJILNHNRDTM-UHFFFAOYSA-N,236.1776,237.1855,235.1698,128880,146102,Chemical info is verified,
StNorman482,"2,6-Di-tert-butylquinone",CAS_RN: 719-22-2,CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C,CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C,"InChI=1S/C14H20O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8H,1-6H3",RDQSIADLBQFVMY-UHFFFAOYSA-N,220.1463,221.1542,219.1385,12336,12867,Chemical info is verified,
StNorman483,2-[(2-Chlorophenyl)amino]benzaldehyde,CAS_RN: 71758-44-6,c1ccc(c(c1)C=O)Nc2ccccc2Cl,c1ccc(c(c1)C=O)Nc1ccccc1Cl,"InChI=1S/C13H10ClNO/c14-11-6-2-4-8-13(11)15-12-7-3-1-5-10(12)9-16/h1-9,15H",DAAHPDZFLSFYPJ-UHFFFAOYSA-N,231.0451,232.0529,230.0373,26001359,53423421,Chemical info is not verified,
StNorman484,2-Acetylacetophenone,CAS_RN: 704-00-7,CC(=O)c1ccccc1C(C)=O,CC(=O)c1ccccc1C(=O)C,"InChI=1S/C10H10O2/c1-7(11)9-5-3-4-6-10(9)8(2)12/h3-6H,1-2H3",LVQFKRXRTXCQCZ-UHFFFAOYSA-N,162.0681,163.0759,161.0603,32616,35459,Chemical info is verified,
StNorman485,2-Bromophenol,CAS_RN: 95-56-7,Oc1ccccc1Br,Oc1ccccc1Br,"InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H",VADKRMSMGWJZCF-UHFFFAOYSA-N,171.9524,172.9602,170.9446,6974,7244,Chemical info is verified,
StNorman486,2-Methyl-1-phenylpropan-2-ol,CAS_RN: 100-86-7,CC(C)(O)Cc1ccccc1,CC(C)(O)Cc1ccccc1,"InChI=1S/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3",RIWRBSMFKVOJMN-UHFFFAOYSA-N,150.1045,151.1123,149.0966,7250,7531,Chemical info is verified,
StNorman487,2-Methylthioacetic acid,CAS_RN: 2444-37-3,CSCC(O)=O,CSCC(=O)O,"InChI=1S/C3H6O2S/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)",HGTBAIVLETUVCG-UHFFFAOYSA-N,106.0089,107.0167,105.001,68076,75551,Chemical info is verified,
StNorman488,2-Nitrophenol,CAS_RN: 88-75-5,Oc1ccccc1[N+]([O-])=O,Oc1ccccc1N(=O)=O,"InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H",IQUPABOKLQSFBK-UHFFFAOYSA-N,139.0269,140.0348,138.0191,13837787,6947,Chemical info is verified,
StNorman489,3-(Bromo-4-methoxyphenyl)propionic acid,CAS_RN: 1929-29-9,COc1ccc(CCC(O)=O)cc1,COc1ccc(CCC(=O)O)cc1,"InChI=1S/C10H12O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3,(H,11,12)",FIUFLISGGHNPSM-UHFFFAOYSA-N,180.0786,181.0865,179.0708,72837,95750,Chemical info is not verified,
StNorman490,"3,5-Di-tert-butyl-4-hydroxyacetophenone",CAS_RN: 14035-33-7,CC(=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,CC(=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1S/C16H24O2/c1-10(17)11-8-12(15(2,3)4)14(18)13(9-11)16(5,6)7/h8-9,18H,1-7H3",WGJPGMJLARWHRK-UHFFFAOYSA-N,248.1776,249.1855,247.1698,535622,616296,Chemical info is not verified,
StNorman491,4-Bromo-2-chlorophenol,CAS_RN: 3964-56-5,Oc1ccc(Br)cc1Cl,Oc1ccc(Br)cc1Cl,"InChI=1S/C6H4BrClO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H",VIBJPUXLAKVICD-UHFFFAOYSA-N,205.9134,206.9212,204.9056,18707,19859,Chemical info is verified,
StNorman492,4-Bromoanisole,CAS_RN: 104-92-7,COc1ccc(Br)cc1,COc1ccc(Br)cc1,"InChI=1S/C7H7BrO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3",QJPJQTDYNZXKQF-UHFFFAOYSA-N,185.968,186.9759,184.9602,13881571,7730,Chemical info is verified,
StNorman493,4-Bromophenol,CAS_RN: 106-41-2,Oc1ccc(Br)cc1,Oc1ccc(Br)cc1,"InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H",GZFGOTFRPZRKDS-UHFFFAOYSA-N,171.9524,172.9602,170.9446,13842573,7808,Chemical info is verified,
StNorman494,4-Chloro-2-(trifluoromethyl)aniline,CAS_RN: 445-03-4,Nc1ccc(Cl)cc1C(F)(F)F,Nc1ccc(Cl)cc1C(F)(F)F,"InChI=1S/C7H5ClF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2",CVINWVPRKDIGLL-UHFFFAOYSA-N,195.0063,196.0141,193.9984,61276,67961,Chemical info is verified,
StNorman495,4-iso-Propenylacetophenone,CAS_RN: 5359-04-6,CC(=C)c1ccc(cc1)C(C)=O,CC(=C)c1ccc(cc1)C(=O)C,"InChI=1S/C11H12O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-7H,1H2,2-3H3",WMVUYUVKNFDYAF-UHFFFAOYSA-N,160.0888,161.0966,159.081,512388,589438,Chemical info is verified,
StNorman496,4-iso-Propylacetophenone,CAS_RN: 645-13-6,CC(C)c1ccc(cc1)C(C)=O,CC(C)c1ccc(cc1)C(=O)C,"InChI=1S/C11H14O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-8H,1-3H3",PDLCCNYKIIUWHA-UHFFFAOYSA-N,162.1045,163.1123,161.0966,21105931,12578,Chemical info is verified,
StNorman497,4-Methyl-phenanthrene,CAS_RN: 832-64-4,Cc1cccc2ccc3ccccc3c12,Cc1cccc2ccc3ccccc3c12,"InChI=1S/C15H12/c1-11-5-4-7-13-10-9-12-6-2-3-8-14(12)15(11)13/h2-10H,1H3",LOCGAKKLRVLQAM-UHFFFAOYSA-N,192.0939,193.1017,191.0861,12698,13256,Chemical info is verified,
StNorman498,4-tert-Butylcyclohexanol (2 isomers),CAS_RN: 98-52-2,CC(C)(C)C1CCC(O)CC1,CC(C)(C)C1CCC(O)CC1,"InChI=1S/C10H20O/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9,11H,4-7H2,1-3H3",CCOQPGVQAWPUPE-UHFFFAOYSA-N,156.1514,157.1592,155.1436,7113,7391,Chemical info is verified,
StNorman499,4-tert-Butylcyclohexanone (2 isomers),CAS_RN: 98-53-3,CC(C)(C)C1CCC(=O)CC1,CC(C)(C)C1CCC(=O)CC1,"InChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3",YKFKEYKJGVSEIX-UHFFFAOYSA-N,154.1358,155.1436,153.1279,7114,7392,Chemical info is verified,
StNorman500,6-Phenyldodecane,CAS_RN: 2719-62-2,CCCCCCC(CCCCC)c1ccccc1,CCCCCCC(CCCCC)c1ccccc1,"InChI=1S/C18H30/c1-3-5-7-10-14-17(13-9-6-4-2)18-15-11-8-12-16-18/h8,11-12,15-17H,3-7,9-10,13-14H2,1-2H3",ZYHJQFMTTFCBKH-UHFFFAOYSA-N,246.2348,247.2426,245.2269,16663,17629,Chemical info is verified,
StNorman501,"7,9-Di-tert-butyl-1-oxaspiro(4,5)deca-6,9-diene-2,8-dione",CAS_RN: 82304-66-3,CC(C)(C)C1=CC2(CCC(=O)O2)C=C(C1=O)C(C)(C)C,CC(C)(C)C1=CC2(CCC(=O)O2)C=C(C1=O)C(C)(C)C,"InChI=1S/C17H24O3/c1-15(2,3)11-9-17(8-7-13(18)20-17)10-12(14(11)19)16(4,5)6/h9-10H,7-8H2,1-6H3",ZTMZUYHXZPUDRF-UHFFFAOYSA-N,276.1725,277.1804,275.1647,474632,545303,Chemical info is not verified,
StNorman502,Aminodiphenylsulfone,CAS_RN: 4273-98-7,Nc1ccccc1[S](=O)(=O)c2ccccc2,Nc1ccccc1S(=O)(=O)c1ccccc1,"InChI=1S/C12H11NO2S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-9H,13H2",JBCUKQQIWSWEOK-UHFFFAOYSA-N,233.051,234.0589,232.0432,70346,77956,Chemical info is verified,
StNorman503,Androstenone,CAS_RN: 18339-16-7,C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC=C2,CC12CCC3C(CCC4CC(=O)CCC34C)C1CC=C2,"InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3",HFVMLYAGWXSTQI-UHFFFAOYSA-N,272.214,273.2218,271.2062,78208,86705,Chemical info is not verified,
StNorman504,Anthraquinone,CAS_RN: 84-65-1,O=C1c2ccccc2C(=O)c3ccccc13,O=C1c2ccccc2C(=O)c2ccccc12,InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H,RZVHIXYEVGDQDX-UHFFFAOYSA-N,208.0524,209.0603,207.0446,13835294,6780,Chemical info is verified,
StNorman505,Bis(chloropropyl)ethers,CAS_RN: 54460-96-7,CC(Cl)COCC(C)Cl,CC(Cl)COCC(C)Cl,"InChI=1S/C6H12Cl2O/c1-5(7)3-9-4-6(2)8/h5-6H,3-4H2,1-2H3",LTJNJOSNHALAPB-UHFFFAOYSA-N,170.0265,171.0343,169.0187,156361,179644,Chemical info is verified,
StNorman506,Cyanide-Free,CAS_RN: 57-12-5,[C-]#N,C#N,InChI=1S/CHN/c1-2/h1H,LELOWRISYMNNSU-UHFFFAOYSA-N,27.0109,28.0187,26.0031,741427,768,Chemical info is not verified,
StNorman507,Cyanogen chloride,CAS_RN: 506-77-4,ClC#N,ClC#N,InChI=1S/CClN/c2-1-3,QPJDMGCKMHUXFD-UHFFFAOYSA-N,60.9719,61.9798,59.9641,10045,10477,Chemical info is verified,
StNorman508,Cyclohexylisocyanate,CAS_RN: 3173-53-3,O=C=NC1CCCCC1,O=C=NC1CCCCC1,"InChI=1S/C7H11NO/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2",KQWGXHWJMSMDJJ-UHFFFAOYSA-N,125.0841,126.0919,124.0762,17475,18502,Chemical info is verified,
StNorman509,Decahydronaphtalene (Dekalin),CAS_RN: 91-17-8,C1CCC2CCCCC2C1,C1CCC2CCCCC2C1,"InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2",NNBZCPXTIHJBJL-UHFFFAOYSA-N,138.1409,139.1487,137.133,6777,7044,Chemical info is verified,
StNorman510,"Dichloroaniline-2,3",CAS_RN: 608-27-5,Nc1cccc(Cl)c1Cl,Nc1cccc(Cl)c1Cl,"InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2",BRPSAOUFIJSKOT-UHFFFAOYSA-N,160.9799,161.9877,159.9721,21111810,11844,Chemical info is verified,
StNorman511,"Dichlorodimethylphenol (2,4-Dichloro-meta-xylenol)",CAS_RN: 133-53-9,Cc1cc(O)c(Cl)c(C)c1Cl,Cc1cc(O)c(Cl)c(C)c1Cl,"InChI=1S/C8H8Cl2O/c1-4-3-6(11)8(10)5(2)7(4)9/h3,11H,1-2H3",IYOLBFFHPZOQGW-UHFFFAOYSA-N,189.9952,191.003,188.9874,8302,8621,Chemical info is verified,
StNorman512,Di-iso-propyldisulfide,CAS_RN: 4253-89-8,CC(C)SSC(C)C,CC(C)SSC(C)C,"InChI=1S/C6H14S2/c1-5(2)7-8-6(3)4/h5-6H,1-4H3",LZAZXBXPKRULLB-UHFFFAOYSA-N,150.0537,151.0615,149.0459,70322,77932,Chemical info is verified,
StNorman513,Di-iso-propylphenol,CAS_RN: 2078-54-8,CC(C)c1cccc(C(C)C)c1O,CC(C)c1cccc(C(C)C)c1O,"InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3",OLBCVFGFOZPWHH-UHFFFAOYSA-N,178.1358,179.1436,177.1279,4774,4943,Chemical info is verified,
StNorman514,Formylpiperidine,CAS_RN: 2591-86-8,O=CN1CCCCC1,O=CN1CCCCC1,"InChI=1S/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H2",FEWLNYSYJNLUOO-UHFFFAOYSA-N,113.0841,114.0919,112.0762,9496,17429,Chemical info is not verified,
StNorman515,Hydrogen cyanide,CAS_RN: 74-90-8,C#N,C#N,InChI=1S/CHN/c1-2/h1H,LELOWRISYMNNSU-UHFFFAOYSA-N,27.0109,28.0187,26.0031,748,768,Chemical info is verified,
StNorman516,Chinoline,CAS_RN: 91-22-5,c1ccc2ncccc2c1,c1ccc2ncccc2c1,InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H,SMWDFEZZVXVKRB-UHFFFAOYSA-N,129.0578,130.0657,128.05,6780,7047,Chemical info is verified,
StNorman517,Chinoxaline,CAS_RN: 91-19-0,c1ccc2nccnc2c1,c1ccc2nccnc2c1,InChI=1S/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H,XSCHRSMBECNVNS-UHFFFAOYSA-N,130.0531,131.0609,129.0453,21106470,7045,Chemical info is verified,
StNorman518,Chlorate,CAS_RN: 14866-68-3,[O-][Cl](=O)=O,O[Cl](=O)=O,"InChI=1S/ClHO3/c2-1(3)4/h(H,2,3,4)",XTEGARKTQYYJKE-UHFFFAOYSA-N,83.9614,84.9692,82.9536,18513,19654,Chemical info is verified,
StNorman519,Chlorodimethylphenol (Chloroxylenol),CAS_RN: 88-04-0,Cc1cc(O)cc(C)c1Cl,Cc1cc(O)cc(C)c1Cl,"InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3",OSDLLIBGSJNGJE-UHFFFAOYSA-N,156.0342,157.042,155.0264,21106017,2723,Chemical info is verified,
StNorman520,Chloromethylphenylsulfone,CAS_RN: 7205-98-3,ClC[S](=O)(=O)c1ccccc1,ClCS(=O)(=O)c1ccccc1,"InChI=1S/C7H7ClO2S/c8-6-11(9,10)7-4-2-1-3-5-7/h1-5H,6H2",NXAIQSVCXQZNRY-UHFFFAOYSA-N,189.9855,190.9934,188.9777,73653,81625,Chemical info is not verified,
StNorman521,Chloronitrobenzene (2 isomers),CAS_RN: 25167-93-5,[O-][N+](=O)c1ccccc1Cl,O=N(=O)c1ccccc1Cl,InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,BFCFYVKQTRLZHA-UHFFFAOYSA-N,156.9931,158.0009,155.9852,13853953,6945,Chemical info is verified,MIXTURE
StNorman522,Ioxitalamic acid,CAS_RN: 28179-44-4,[Na+].CC(=O)Nc1c(I)c(C([O-])=O)c(I)c(C(=O)NCCO)c1I,CC(=O)Nc1c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c1I,"InChI=1S/C12H11I3N2O5/c1-4(19)17-10-8(14)5(11(20)16-2-3-18)7(13)6(9(10)15)12(21)22/h18H,2-3H2,1H3,(H,16,20)(H,17,19)(H,21,22)",OLAOYPRJVHUHCF-UHFFFAOYSA-N,643.7802,644.788,642.7724,31782,34536,Chemical info is verified,
StNorman523,Metaldehyde,CAS_RN: 108-62-3,CC1OC(C)OC(C)OC(C)O1,CC1OC(C)OC(C)OC(C)O1,"InChI=1S/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3",GKKDCARASOJPNG-UHFFFAOYSA-N,176.1049,177.1127,175.097,54981,61021,Chemical info is verified,
StNorman524,Methylbenzonitrile,CAS_RN: 529-19-1,Cc1ccccc1C#N,Cc1ccccc1C#N,"InChI=1S/C8H7N/c1-7-4-2-3-5-8(7)6-9/h2-5H,1H3",NWPNXBQSRGKSJB-UHFFFAOYSA-N,117.0578,118.0657,116.05,21106523,10721,Chemical info is verified,
StNorman525,Methylphenylisocyanate,CAS_RN: 614-68-6,Cc1ccccc1N=C=O,Cc1ccccc1N=C=O,"InChI=1S/C8H7NO/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3",VAYMIYBJLRRIFR-UHFFFAOYSA-N,133.0528,134.0606,132.0449,6933,69194,Chemical info is not verified,
StNorman526,Methylphenylsulfone,CAS_RN: 3112-85-4,C[S](=O)(=O)c1ccccc1,CS(=O)(=O)c1ccccc1,"InChI=1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3",JCDWETOKTFWTHA-UHFFFAOYSA-N,156.0245,157.0323,155.0167,13860,18369,Chemical info is not verified,
StNorman527,"N,N-Dibutylformamide",CAS_RN: 761-65-9,CCCCN(CCCC)C=O,CCCCN(CCCC)C=O,"InChI=1S/C9H19NO/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H3",NZMAJUHVSZBJHL-UHFFFAOYSA-N,157.1467,158.1545,156.1388,12435,12975,Chemical info is verified,
StNorman528,"N,N-Diethyldithiocarbamic acid methyl ester",CAS_RN: 686-07-7,CCN(CC)C(=S)SC,CCN(CC)C(=S)SC,"InChI=1S/C6H13NS2/c1-4-7(5-2)6(8)9-3/h4-5H2,1-3H3",JYRXPFCUABYLPD-UHFFFAOYSA-N,163.0489,164.0568,162.0411,12182,12704,Chemical info is verified,
StNorman529,"N,N'-Diethyl-N,N'-diphenylurea",CAS_RN: 85-98-3,CCN(C(=O)N(CC)c1ccccc1)c2ccccc2,CCN(C(=O)N(CC)c1ccccc1)c1ccccc1,"InChI=1S/C17H20N2O/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3",PZIMIYVOZBTARW-UHFFFAOYSA-N,268.1576,269.1654,267.1497,6567,6828,Chemical info is verified,
StNorman530,"N,N'-Di-iso-propylurea",CAS_RN: 4128-37-4,CC(C)NC(=O)NC(C)C,CC(C)NC(=O)NC(C)C,"InChI=1S/C7H16N2O/c1-5(2)8-7(10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)",BGRWYRAHAFMIBJ-UHFFFAOYSA-N,144.1263,145.1341,143.1184,18921,20084,Chemical info is verified,
StNorman531,N-Acetylmorpholine,CAS_RN: 1696-20-4,CC(=O)N1CCOCC1,CC(=O)N1CCOCC1,"InChI=1S/C6H11NO2/c1-6(8)7-2-4-9-5-3-7/h2-5H2,1H3",KYWXRBNOYGGPIZ-UHFFFAOYSA-N,129.079,130.0868,128.0712,14787,15543,Chemical info is verified,
StNorman532,N-Ethylaniline,CAS_RN: 103-69-5,CCNc1ccccc1,CCNc1ccccc1,"InChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3",OJGMBLNIHDZDGS-UHFFFAOYSA-N,121.0891,122.097,120.0813,7387,7670,Chemical info is verified,
StNorman533,N-Ethylphthalimide,CAS_RN: 5022-29-7,CCN1C(=O)c2ccccc2C1=O,CCN1C(=O)c2ccccc2C1=O,"InChI=1S/C10H9NO2/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13/h3-6H,2H2,1H3",JZDSOQSUCWVBMV-UHFFFAOYSA-N,175.0633,176.0712,174.0555,19862,21120,Chemical info is verified,
StNorman534,N-Ethyltoluenesulfonamide,CAS_RN: 26914-52-3,CCNS(=O)(=O)c1ccccc1C,CCNS(=O)(=O)c1ccccc1C,"InChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3",NATWUQFQFMZVMT-UHFFFAOYSA-N,199.0667,200.0745,198.0589,13488,14110,Chemical info is verified,
StNorman535,N-Formylmorpholine,CAS_RN: 4394-85-8,O=CN1CCOCC1,O=CN1CCOCC1,"InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2",LCEDQNDDFOCWGG-UHFFFAOYSA-N,115.0633,116.0712,114.0555,19231,20417,Chemical info is verified,
StNorman536,Nitrobenzene,CAS_RN: 98-95-3,[O-][N+](=O)c1ccccc1,O=N(=O)c1ccccc1,InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H,LQNUZADURLCDLV-UHFFFAOYSA-N,123.032,124.0399,122.0242,7138,7416,Chemical info is verified,
StNorman537,N-Phenylbenzenesulfonamide,CAS_RN: 1678-25-7,O=[S](=O)(Nc1ccccc1)c2ccccc2,O=S(=O)(Nc1ccccc1)c1ccccc1,"InChI=1S/C12H11NO2S/c14-16(15,12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10,13H",XAUGWFWQVYXATQ-UHFFFAOYSA-N,233.051,234.0589,232.0432,66899,74296,Chemical info is verified,
StNorman538,p-Dicyclohexylbenzene,CAS_RN: 1087-02-1,C1CCC(CC1)c2ccc(cc2)C3CCCCC3,C1CCC(CC1)c1ccc(cc1)C1CCCCC1,"InChI=1S/C18H26/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h11-16H,1-10H2",QQFSIGWYINAJOB-UHFFFAOYSA-N,242.2035,243.2113,241.1956,63830,70664,Chemical info is verified,
StNorman539,Phenanthrene,CAS_RN: 85-01-8,c1ccc2c(c1)ccc3ccccc23,c1ccc2c(c1)ccc1ccccc21,InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H,YNPNZTXNASCQKK-UHFFFAOYSA-N,178.0783,179.0861,177.0704,970,995,Chemical info is verified,
StNorman540,Phenylisocyanate,CAS_RN: 103-71-9,O=C=Nc1ccccc1,O=C=Nc1ccccc1,InChI=1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H,DGTNSSLYPYDJGL-UHFFFAOYSA-N,119.0371,120.0449,118.0293,7389,7672,Chemical info is verified,
StNorman541,Tetralinone,CAS_RN: 529-34-0,O=C1CCCc2ccccc12,O=C1CCCc2ccccc12,"InChI=1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H2",XHLHPRDBBAGVEG-UHFFFAOYSA-N,146.0732,147.081,145.0653,10273,10724,Chemical info is verified,
StNorman542,Tocopherolacetate,CAS_RN: 7695-91-2,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(OC(C)=O)c(C)c(C)c2O1,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)C)c(C)c(C)c2O1,"InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3",ZAKOWWREFLAJOT-UHFFFAOYSA-N,472.3916,473.3995,471.3838,77987,2117,Chemical info is verified,
StNorman543,"2,3,4-Trichloroaniline",CAS_RN: 634-67-3,Nc1ccc(Cl)c(Cl)c1Cl,Nc1ccc(Cl)c(Cl)c1Cl,"InChI=1S/C6H4Cl3N/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2",RRJUYQOFOMFVQS-UHFFFAOYSA-N,194.9409,195.9488,193.9331,11954,12464,Chemical info is verified,
StNorman544,Zincpyrithione,CAS_RN: 13463-41-7,[Zn++](|[S-]c1cccc[n+]1[O-])|[S-]c2cccc[n+]2[O-],[O-][n+]1ccccc1S,"InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H",FGVVTMRZYROCTH-UHFFFAOYSA-N,127.0092,128.0171,126.0013,2275869,NA,Chemical info is not verified,
StNorman545,Perfluorooctane sulfonate (anion),CAS_RN: 45298-90-6,C(C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C8HF17O3S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H,26,27,28)",YFSUTJLHUFNCNZ-UHFFFAOYSA-N,499.9375,500.9453,498.9297,2966466,74483,Chemical info is not verified,
StNorman546,4-Oxoisophorone,CAS_RN: 1125-21-9,CC1=CC(=O)CC(C)(C)C1=O,CC1=CC(=O)CC(C)(C)C1=O,"InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3",AYJXHIDNNLJQDT-UHFFFAOYSA-N,152.0837,153.0916,151.0759,56162,62374,Chemical info is verified,
StNorman547,Cineole,CAS_RN: 8024-53-1,CC12CCC(CC1)C(C)(C)O2,CC12CCC(CC1)C(C)(C)O2,"InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3",WEEGYLXZBRQIMU-UHFFFAOYSA-N,154.1358,155.1436,153.1279,2656,2758,Chemical info is not verified,
StNorman548,Damascone,CAS_RN: 23726-91-2,C/C=C/C(=O)C1=C(C)CCCC1(C)C,C/C=C/C(=O)C1=C(C)CCCC1(C)C,"InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3/b7-5+",BGTBFNDXYDYBEY-FNORWQNLSA-N,192.1514,193.1592,191.1436,4524302,5374527,Chemical info is verified,
StNorman549,Dihydromethyljasmonate,CAS_RN: 37172-53-5,CCCCCCC1C(CCC1=O)C(=O)OC,CCCCCCC1C(CCC1=O)C(=O)OC,"InChI=1S/C13H22O3/c1-3-4-5-6-7-10-11(13(15)16-2)8-9-12(10)14/h10-11H,3-9H2,1-2H3",IPWBXORAIBJDDQ-UHFFFAOYSA-N,226.1569,227.1647,225.1491,142479,162249,Chemical info is verified,
StNorman550,Drometrizole,CAS_RN: 2440-22-4,Cc1ccc(O)c(c1)n2nc3ccccc3n2,Cc1ccc(O)c(c1)n1nc2ccccc2n1,"InChI=1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3",MCPKSFINULVDNX-UHFFFAOYSA-N,225.0902,226.098,224.0824,16197,17113,Chemical info is verified,
StNorman551,Drometrizole trisiloxane (INCI),CAS_RN: 155633-54-8,n1c3ccccc3nn1c2cc(cc(c2O)CC(C)C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C)C,n1c2ccccc2nn1c1cc(cc(c1O)CC(C)C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C)C,"InChI=1S/C24H39N3O3Si3/c1-18-14-20(15-19(2)17-33(9,29-31(3,4)5)30-32(6,7)8)24(28)23(16-18)27-25-21-12-10-11-13-22(21)26-27/h10-14,16,19,28H,15,17H2,1-9H3",HUVYTMDMDZRHBN-UHFFFAOYSA-N,501.2299,502.2377,500.2221,8024601,9848888,Chemical info is not verified,
StNorman552,"Methyl-iso-propylcyclohexenone, Carvone",CAS_RN: 6485-40-1,CC(=C)[C@@H]1CC=C(C)C(=O)C1,CC(=C)C1CC=C(C)C(=O)C1,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3",ULDHMXUKGWMISQ-UHFFFAOYSA-N,150.1045,151.1123,149.0966,388655,7439,Chemical info is verified,
StNorman553,o-Terphenyl,CAS_RN: 84-15-1,c1ccc(cc1)c2ccccc2c3ccccc3,c1ccc(cc1)c1ccccc1c1ccccc1,InChI=1S/C18H14/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h1-14H,OIAQMFOKAXHPNH-UHFFFAOYSA-N,230.1096,231.1174,229.1017,6508,6766,Chemical info is verified,
StNorman554,p-Terphenyl,CAS_RN: 92-94-4,c1ccc(cc1)c2ccc(cc2)c3ccccc3,c1ccc(cc1)c1ccc(cc1)c1ccccc1,InChI=1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H,XJKSTNDFUHDPQJ-UHFFFAOYSA-N,230.1096,231.1174,229.1017,6848,7115,Chemical info is verified,
StNorman555,Viridine,CAS_RN: 101-48-4,COC(Cc1ccccc1)OC,COC(Cc1ccccc1)OC,"InChI=1S/C10H14O2/c1-11-10(12-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3",WNJSKZBEWNVKGU-UHFFFAOYSA-N,166.0994,167.1072,165.0916,13876435,60995,Chemical info is verified,
StNorman556,"1,3-Dichloropropene",CAS_RN: 542-75-6,ClC\C=C/Cl,ClC/C=C\Cl,"InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1-",UOORRWUZONOOLO-UPHRSURJSA-N,109.969,110.9768,108.9612,23264,5280970,Chemical info is verified,
StNorman557,"2,3,4,6-Tetrachlorophenol",CAS_RN: 58-90-2,Oc1c(Cl)cc(Cl)c(Cl)c1Cl,Oc1c(Cl)cc(Cl)c(Cl)c1Cl,"InChI=1S/C6H2Cl4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H",VGVRPFIJEJYOFN-UHFFFAOYSA-N,229.886,230.8938,228.8782,5806,6028,Chemical info is verified,
StNorman558,"2,4,5-Trichlorophenol",CAS_RN: 95-95-4,Oc1cc(Cl)c(Cl)cc1Cl,Oc1cc(Cl)c(Cl)cc1Cl,"InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H",LHJGJYXLEPZJPM-UHFFFAOYSA-N,195.9249,196.9328,194.9171,7001,7271,Chemical info is verified,
StNorman559,"2,4,6-Trichloroanisole",CAS_RN: 87-40-1,COc1c(Cl)cc(Cl)cc1Cl,COc1c(Cl)cc(Cl)cc1Cl,"InChI=1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3",WCVOGSZTONGSQY-UHFFFAOYSA-N,209.9406,210.9484,208.9328,6620,6884,Chemical info is verified,
StNorman560,"2,4,6-Trichlorophenol",CAS_RN: 88-06-2,Oc1c(Cl)cc(Cl)cc1Cl,Oc1c(Cl)cc(Cl)cc1Cl,"InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H",LINPIYWFGCPVIE-UHFFFAOYSA-N,195.9249,196.9328,194.9171,21106172,6914,Chemical info is verified,
StNorman561,"2,4-Dichloroanisole",CAS_RN: 553-82-2,COc1ccc(Cl)cc1Cl,COc1ccc(Cl)cc1Cl,"InChI=1S/C7H6Cl2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3",CICQUFBZCADHHX-UHFFFAOYSA-N,175.9796,176.9874,174.9717,10648,11119,Chemical info is verified,
StNorman562,"2,6-Dichloroanisole",CAS_RN: 1984-65-2,COc1c(Cl)cccc1Cl,COc1c(Cl)cccc1Cl,"InChI=1S/C7H6Cl2O/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3",KZLMCDNAVVJKPX-UHFFFAOYSA-N,175.9796,176.9874,174.9717,15311,16127,Chemical info is verified,
StNorman563,2-Aminobenzimidazole,CAS_RN: 934-32-7,Nc1[nH]c2ccccc2n1,Nc1[nH]c2ccccc2n1,"InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)",JWYUFVNJZUSCSM-UHFFFAOYSA-N,133.064,134.0718,132.0562,13035,13624,Chemical info is verified,
StNorman564,2-Bromoanisole,CAS_RN: 578-57-4,COc1ccccc1Br,COc1ccccc1Br,"InChI=1S/C7H7BrO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3",HTDQSWDEWGSAMN-UHFFFAOYSA-N,185.968,186.9759,184.9602,10878,11358,Chemical info is not verified,
StNorman565,2-Methylanthraquinone,CAS_RN: 84-54-8,Cc1ccc2C(=O)c3ccccc3C(=O)c2c1,Cc1ccc2C(=O)c3ccccc3C(=O)c2c1,"InChI=1S/C15H10O2/c1-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3",NJWGQARXZDRHCD-UHFFFAOYSA-N,222.0681,223.0759,221.0603,6515,6773,Chemical info is verified,
StNorman566,Bis(4-chlorophenyl)acetic acid,CAS_RN: 83-05-6,OC(=O)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2,OC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1,"InChI=1S/C14H10Cl2O2/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13H,(H,17,18)",YIOCIFXUGBYCJR-UHFFFAOYSA-N,280.0058,281.0136,278.998,6474,6730,Chemical info is verified,
StNorman567,"1-Chloro-2,2-bis(p-chlorophenyl)ethane",CAS_RN: 2642-80-0,ClCC(c1ccc(Cl)cc1)c2ccc(Cl)cc2,ClCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1,"InChI=1S/C14H11Cl3/c15-9-14(10-1-5-12(16)6-2-10)11-3-7-13(17)8-4-11/h1-8,14H,9H2",CHBOSHOWERDCMH-UHFFFAOYSA-N,283.9926,285.0005,282.9848,16577,17532,Chemical info is not verified,
StNorman568,"1,1-Bis(p-chlorophenyl)ethylene",CAS_RN: 2642-81-1,Clc1ccc(cc1)C(=C)c2ccc(Cl)cc2,Clc1ccc(cc1)C(=C)c1ccc(Cl)cc1,"InChI=1S/C14H10Cl2/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12/h2-9H,1H2",IEAUXBMXWDAYID-UHFFFAOYSA-N,248.016,249.0238,247.0081,85511,94775,Chemical info is verified,
StNorman569,"2,2-Bis(4-chlorophenyl)ethanol",CAS_RN: 2642-82-2,OCC(c1ccc(Cl)cc1)c2ccc(Cl)cc2,OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1,"InChI=1S/C14H12Cl2O/c15-12-5-1-10(2-6-12)14(9-17)11-3-7-13(16)8-4-11/h1-8,14,17H,9H2",ZVIDYKRNLNAXFT-UHFFFAOYSA-N,266.0265,267.0343,265.0187,16578,17533,Chemical info is verified,
StNorman570,Aclonifen,CAS_RN: 74070-46-5,Nc1c(Cl)c(Oc2ccccc2)ccc1[N+]([O-])=O,Nc1c(Cl)c(Oc2ccccc2)ccc1N(=O)=O,"InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2",DDBMQDADIHOWIC-UHFFFAOYSA-N,264.0302,265.038,263.0223,83411,92389,Chemical info is verified,
StNorman571,Aldicarb,CAS_RN: 116-06-3,CNC(=O)O\N=C\C(C)(C)SC,CNC(=O)O/N=C/C(C)(C)SC,"InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+",QGLZXHRNAYXIBU-WEVVVXLNSA-N,190.0776,191.0854,189.0698,2002,9570071,Chemical info is verified,
StNorman572,Aldicarb sulfone,CAS_RN: 1646-88-4,CNC(=O)O\N=C\C(C)(C)[S](C)(=O)=O,CNC(=O)O/N=C/C(C)(C)S(=O)(=O)C,"InChI=1S/C7H14N2O4S/c1-7(2,14(4,11)12)5-9-13-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+",YRRKLBAKDXSTNC-WEVVVXLNSA-N,222.0674,223.0753,221.0596,14691,9570093,Chemical info is verified,
StNorman573,Ametryn,CAS_RN: 834-12-8,CCNc1nc(NC(C)C)nc(SC)n1,CCNc1nc(NC(C)C)nc(SC)n1,"InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)",RQVYBGPQFYCBGX-UHFFFAOYSA-N,227.1205,228.1283,226.1126,12705,13263,Chemical info is verified,
StNorman574,Amino methyl phosphoric acid,CAS_RN: 1066-51-9,NC[P](O)(O)=O,NCP(=O)(O)O,"InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)",MGRVRXRGTBOSHW-UHFFFAOYSA-N,111.0085,112.0164,110.0007,13399,NA,Chemical info is not verified,
StNorman575,Azinphos-ethyl,CAS_RN: 2642-71-9,CCO[P](=S)(OCC)SCN1N=Nc2ccccc2C1=O,CCOP(=S)(OCC)SCn1nnc2ccccc2c1=O,"InChI=1S/C12H16N3O3PS2/c1-3-17-19(20,18-4-2)21-9-15-12(16)10-7-5-6-8-11(10)13-14-15/h5-8H,3-4,9H2,1-2H3",RQVGAIADHNPSME-UHFFFAOYSA-N,345.0371,346.0449,344.0292,16576,17531,Chemical info is verified,
StNorman576,Bifenox,CAS_RN: 42576-02-3,COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+]([O-])=O,COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1N(=O)=O,"InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3",SUSRORUBZHMPCO-UHFFFAOYSA-N,340.9858,341.9936,339.978,35891,39230,Chemical info is verified,
StNorman577,Bromacil,CAS_RN: 314-40-9,CCC(C)N1C(=O)NC(=C(Br)C1=O)C,CCC(C)n1c(=O)[nH]c(c(Br)c1=O)C,"InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)",CTSLUCNDVMMDHG-UHFFFAOYSA-N,260.016,261.0239,259.0082,9040,9411,Chemical info is verified,
StNorman578,Bromoxynil octanoate,CAS_RN: 1689-99-2,CCCCCCCC(=O)Oc1c(Br)cc(cc1Br)C#N,CCCCCCCC(=O)Oc1c(Br)cc(cc1Br)C#N,"InChI=1S/C15H17Br2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3",DQKWXTIYGWPGOO-UHFFFAOYSA-N,400.9626,401.9704,399.9548,14777,15533,Chemical info is verified,
StNorman579,Carbaryl,CAS_RN: 63-25-2,CNC(=O)Oc1cccc2ccccc12,CNC(=O)Oc1cccc2ccccc12,"InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)",CVXBEEMKQHEXEN-UHFFFAOYSA-N,201.079,202.0868,200.0712,5899,6129,Chemical info is verified,
StNorman580,Cyanazine,CAS_RN: 21725-46-2,CCNc1nc(Cl)nc(NC(C)(C)C#N)n1,CCNc1nc(Cl)nc(NC(C)(C)C#N)n1,"InChI=1S/C9H13ClN6/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h4H2,1-3H3,(H2,12,13,14,15,16)",MZZBPDKVEFVLFF-UHFFFAOYSA-N,240.089,241.0968,239.0812,28552,30773,Chemical info is verified,
StNorman581,Cyanazine acid,CAS_RN: 36576-43-9,CCNc1nc(Cl)nc(NC(C)(C)C(O)=O)n1,CCNc1nc(Cl)nc(NC(C)(C)C(=O)O)n1,"InChI=1S/C9H14ClN5O2/c1-4-11-7-12-6(10)13-8(14-7)15-9(2,3)5(16)17/h4H2,1-3H3,(H,16,17)(H2,11,12,13,14,15)",WYIJTMNAAMADHT-UHFFFAOYSA-N,259.0836,260.0914,258.0758,157871,181486,Chemical info is not verified,
StNorman582,"4,4?-Dichlorobenzophenone",CAS_RN: 90-98-2,Clc1ccc(cc1)C(=O)c2ccc(Cl)cc2,Clc1ccc(cc1)C(=O)c1ccc(Cl)cc1,InChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H,OKISUZLXOYGIFP-UHFFFAOYSA-N,249.9952,251.003,248.9874,6767,7034,Chemical info is verified,
StNorman583,Dicofol,CAS_RN: 115-32-2,OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl,OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(Cl)(Cl)Cl,"InChI=1S/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H",UOAMTSKGCBMZTC-UHFFFAOYSA-N,367.9096,368.9174,366.9018,7970,8268,Chemical info is verified,
StNorman584,Diflufenican,CAS_RN: 83164-33-4,Fc1ccc(NC(=O)c2cccnc2Oc3cccc(c3)C(F)(F)F)c(F)c1,Fc1ccc(NC(=O)c2cccnc2Oc2cccc(c2)C(F)(F)F)c(F)c1,"InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)",WYEHFWKAOXOVJD-UHFFFAOYSA-N,394.0741,395.0819,393.0662,82834,91735,Chemical info is verified,
StNorman585,Diisopropylamine,CAS_RN: 108-18-9,CC(C)NC(C)C,CC(C)NC(C)C,"InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3",UAOMVDZJSHZZME-UHFFFAOYSA-N,101.1204,102.1283,100.1126,7624,7912,Chemical info is verified,
StNorman586,Dimethenamid,CAS_RN: 87674-68-8,COCC(C)N(C(=O)CCl)c1c(C)scc1C,COCC(C)N(C(=O)CCl)c1c(C)scc1C,"InChI=1S/C12H18ClNO2S/c1-8-7-17-10(3)12(8)14(11(15)5-13)9(2)6-16-4/h7,9H,5-6H2,1-4H3",JLYFCTQDENRSOL-UHFFFAOYSA-N,275.0747,276.0825,274.0669,82842,91744,Chemical info is verified,
StNorman587,Dimethoate,CAS_RN: 60-51-5,CNC(=O)CS[P](=S)(OC)OC,CNC(=O)CSP(=S)(OC)OC,"InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)",MCWXGJITAZMZEV-UHFFFAOYSA-N,228.9996,230.0074,227.9918,2973,3082,Chemical info is verified,
StNorman588,Echio (Ethion),CAS_RN: 563-12-2,CCO[P](=S)(OCC)SCS[P](=S)(OCC)OCC,CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,"InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3",RIZMRRKBZQXFOY-UHFFFAOYSA-N,383.9876,384.9954,382.9798,3171,3286,Chemical info is verified,
StNorman589,Fenarimol,CAS_RN: 60168-88-9,OC(c1ccc(Cl)cc1)(c2cncnc2)c3ccccc3Cl,OC(c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl,"InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H",NHOWDZOIZKMVAI-UHFFFAOYSA-N,330.0327,331.0405,329.0248,39394,43226,Chemical info is verified,
StNorman590,Fenthion,CAS_RN: 55-38-9,CO[P](=S)(OC)Oc1ccc(SC)c(C)c1,COP(=S)(OC)Oc1ccc(SC)c(C)c1,"InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3",PNVJTZOFSHSLTO-UHFFFAOYSA-N,278.02,279.0278,277.0122,3229,3346,Chemical info is verified,
StNorman591,Flufenacet,CAS_RN: 142459-58-3,CC(C)N(C(=O)COc1sc(nn1)C(F)(F)F)c2ccc(F)cc2,CC(C)N(C(=O)COc1sc(nn1)C(F)(F)F)c1ccc(F)cc1,"InChI=1S/C14H13F4N3O2S/c1-8(2)21(10-5-3-9(15)4-6-10)11(22)7-23-13-20-19-12(24-13)14(16,17)18/h3-6,8H,7H2,1-2H3",IANUJLZYFUDJIH-UHFFFAOYSA-N,363.0665,364.0743,362.0586,77944,86429,Chemical info is verified,
StNorman592,Flusilazole,CAS_RN: 85509-19-9,C[Si](Cn1cncn1)(c2ccc(F)cc2)c3ccc(F)cc3,C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1,"InChI=1S/C16H15F2N3Si/c1-22(12-21-11-19-10-20-21,15-6-2-13(17)3-7-15)16-8-4-14(18)5-9-16/h2-11H,12H2,1H3",FQKUGOMFVDPBIZ-UHFFFAOYSA-N,315.1003,316.1082,314.0925,66326,73675,Chemical info is verified,
StNorman593,Flutriafol,CAS_RN: 76674-21-0,OC(Cn1cncn1)(c2ccc(F)cc2)c3ccccc3F,OC(Cn1cncn1)(c1ccc(F)cc1)c1ccccc1F,"InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2",JWUCHKBSVLQQCO-UHFFFAOYSA-N,301.1027,302.1105,300.0948,82827,91727,Chemical info is verified,
StNorman594,Furathiocarb,CAS_RN: 65907-30-4,CCCCOC(=O)N(C)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12,CCCCOC(=O)N(C)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12,"InChI=1S/C18H26N2O5S/c1-6-7-11-23-16(21)19(4)26-20(5)17(22)24-14-10-8-9-13-12-18(2,3)25-15(13)14/h8-10H,6-7,11-12H2,1-5H3",HAWJXYBZNNRMNO-UHFFFAOYSA-N,382.1562,383.1641,381.1484,43456,47759,Chemical info is verified,
StNorman595,Heptachlor,CAS_RN: 76-44-8,ClC1C=CC2C1C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl,ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl,"InChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H",FRCCEHPWNOQAEU-UHFFFAOYSA-N,369.8211,370.8289,368.8133,3463,3589,Chemical info is not verified,
StNorman596,Heptachlor epoxide,CAS_RN: 1024-57-3,ClC1C2OC2C3C1C4(Cl)C(=C(Cl)C3(Cl)C4(Cl)Cl)Cl,ClC1C2OC2C2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl,"InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H",ZXFXBSWRVIQKOD-UHFFFAOYSA-N,385.816,386.8238,384.8082,13328,13930,Chemical info is verified,
StNorman597,Hexazinone,CAS_RN: 51235-04-2,CN(C)C1=NC(=O)N(C2CCCCC2)C(=O)N1C,CN(C)c1nc(=O)n(C2CCCCC2)c(=O)n1C,"InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3",CAWXEEYDBZRFPE-UHFFFAOYSA-N,252.1586,253.1665,251.1508,36542,39965,Chemical info is verified,
StNorman598,Chlorothalonil,CAS_RN: 1897-45-6,Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl,Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl,InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14,CRQQGFGUEAVUIL-UHFFFAOYSA-N,263.8816,264.8894,262.8737,13861400,15910,Chemical info is verified,
StNorman599,Chloroxuron,CAS_RN: 1982-47-4,CN(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1,CN(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1,"InChI=1S/C15H15ClN2O2/c1-18(2)15(19)17-12-5-9-14(10-6-12)20-13-7-3-11(16)4-8-13/h3-10H,1-2H3,(H,17,19)",IVUXTESCPZUGJC-UHFFFAOYSA-N,290.0822,291.09,289.0744,15299,16115,Chemical info is verified,
StNorman600,Chlorpyriphos methyl,CAS_RN: 5598-13-0,CO[P](=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl,COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl,"InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3",HRBKVYFZANMGRE-UHFFFAOYSA-N,320.895,321.9028,319.8872,20493,21803,Chemical info is verified,
StNorman601,Chlorthal-dimethyl,CAS_RN: 1861-32-1,COC(=O)c1c(Cl)c(Cl)c(c(Cl)c1Cl)C(=O)OC,COC(=O)c1c(Cl)c(Cl)c(c(Cl)c1Cl)C(=O)OC,InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3,NPOJQCVWMSKXDN-UHFFFAOYSA-N,329.902,330.9098,328.8942,2839,2943,Chemical info is verified,
StNorman602,Linuron,CAS_RN: 330-55-2,CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1,CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1,"InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)",XKJMBINCVNINCA-UHFFFAOYSA-N,248.0119,249.0198,247.0041,9130,9502,Chemical info is verified,
StNorman603,Malathion,CAS_RN: 121-75-5,CCOC(=O)CC(S[P](=S)(OC)OC)C(=O)OCC,CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC,"InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3",JXSJBGJIGXNWCI-UHFFFAOYSA-N,330.0361,331.0439,329.0282,3864,4004,Chemical info is verified,
StNorman604,Mecoprop-p,CAS_RN: 16484-77-8,C[C@@H](Oc1ccc(Cl)cc1C)C(O)=O,CC(Oc1ccc(Cl)cc1C)C(=O)O,"InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)",WNTGYJSOUMFZEP-UHFFFAOYSA-N,214.0397,215.0475,213.0318,,7153,Chemical info is not verified,
StNorman605,Metazachlor,CAS_RN: 67129-08-2,Cc1cccc(C)c1N(Cn2cccn2)C(=O)CCl,Cc1cccc(C)c1N(Cn1cccn1)C(=O)CCl,"InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3",STEPQTYSZVCJPV-UHFFFAOYSA-N,277.0982,278.106,276.0904,44885,49384,Chemical info is verified,
StNorman606,Methiocarb,CAS_RN: 2032-65-7,CNC(=O)Oc1cc(C)c(SC)c(C)c1,CNC(=O)Oc1cc(C)c(SC)c(C)c1,"InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)",YFBPRJGDJKVWAH-UHFFFAOYSA-N,225.0823,226.0902,224.0745,15417,16248,Chemical info is verified,
StNorman607,Methiocarb sulfoxide,CAS_RN: 2635-10-1,CNC(=O)Oc1cc(C)c(c(C)c1)[S](C)=O,CNC(=O)Oc1cc(C)c(c(C)c1)S(=O)C,"InChI=1S/C11H15NO3S/c1-7-5-9(15-11(13)12-3)6-8(2)10(7)16(4)14/h5-6H,1-4H3,(H,12,13)",FNCMBMZOZQAWJA-UHFFFAOYSA-N,241.0773,242.0851,240.0694,16568,17521,Chemical info is verified,
StNorman608,Methoxychlor,CAS_RN: 72-43-5,COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl,COc1ccc(cc1)C(c1ccc(OC)cc1)C(Cl)(Cl)Cl,"InChI=1S/C16H15Cl3O2/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3",IAKOZHOLGAGEJT-UHFFFAOYSA-N,344.0138,345.0216,343.0059,3972,4115,Chemical info is verified,
StNorman609,Metolachlor,CAS_RN: 51218-45-2,CCc1cccc(C)c1N(C(C)COC)C(=O)CCl,CCc1cccc(C)c1N(C(C)COC)C(=O)CCl,"InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3",WVQBLGZPHOPPFO-UHFFFAOYSA-N,283.1339,284.1417,282.1261,4025,4169,Chemical info is verified,
StNorman610,Metoxuron,CAS_RN: 19937-59-8,COc1ccc(NC(=O)N(C)C)cc1Cl,COc1ccc(NC(=O)N(C)C)cc1Cl,"InChI=1S/C10H13ClN2O2/c1-13(2)10(14)12-7-4-5-9(15-3)8(11)6-7/h4-6H,1-3H3,(H,12,14)",DSRNRYQBBJQVCW-UHFFFAOYSA-N,228.0666,229.0744,227.0587,27749,29863,Chemical info is verified,
StNorman611,Microcystin-LA / Cyanoginosin-LA,CAS_RN: 96180-79-9,CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(C)\C=C\[C@@H]2NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]2C)C(O)=O)C(O)=O,COC(Cc1ccccc1)C(C)/C=C(\C)/C=C/C1NC(=O)C(C)NC(=O)C(C)C(NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(=C)N(C)C(=O)CCC(NC(=O)C1C)C(=O)O)C(=O)O,"InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+",DIAQQISRBBDJIM-PPDPLNFISA-N,909.4848,910.4926,908.4769,4941946,NA,Chemical info is not verified,
StNorman612,Molinate,CAS_RN: 2212-67-1,CCSC(=O)N1CCCCCC1,CCSC(=O)N1CCCCCC1,"InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3",DEDOPGXGGQYYMW-UHFFFAOYSA-N,187.1031,188.1109,186.0953,15790,16653,Chemical info is verified,
StNorman613,N-Ethyl-2-tolylsulfonamide,CAS_RN: 825629-31-0,CCN[S](=O)(=O)c1ccc(C)cc1,CCNS(=O)(=O)c1ccc(C)cc1,"InChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3",OHPZPBNDOVQJMH-UHFFFAOYSA-N,199.0667,200.0745,198.0589,13488,6637,Chemical info is not verified,
StNorman614,Dichlorodiphenyldichloroethane (Mitotane),CAS_RN: 53-19-0,ClC(Cl)C(c1ccc(Cl)cc1)c2ccccc2Cl,ClC(Cl)C(c1ccc(Cl)cc1)c1ccccc1Cl,"InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H",JWBOIMRXGHLCPP-UHFFFAOYSA-N,317.9537,318.9615,316.9458,4066,4211,Chemical info is verified,
StNorman615,Omethoate,CAS_RN: 1113-02-6,CNC(=O)CS[P](=O)(OC)OC,CNC(=O)CSP(=O)(OC)OC,"InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)",PZXOQEXFMJCDPG-UHFFFAOYSA-N,213.0225,214.0303,212.0146,13574,14210,Chemical info is verified,
StNorman616,Orbencarb,CAS_RN: 34622-58-7,CCN(CC)C(=O)SCc1ccccc1Cl,CCN(CC)C(=O)SCc1ccccc1Cl,"InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-7-5-6-8-11(10)13/h5-8H,3-4,9H2,1-2H3",LLLFASISUZUJEQ-UHFFFAOYSA-N,257.0641,258.0719,256.0563,33829,36867,Chemical info is verified,
StNorman617,Oxadiazon,CAS_RN: 19666-30-9,CC(C)Oc1cc(N2N=C(OC2=O)C(C)(C)C)c(Cl)cc1Cl,CC(C)Oc1cc(n2nc(oc2=O)C(C)(C)C)c(Cl)cc1Cl,"InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3",CHNUNORXWHYHNE-UHFFFAOYSA-N,344.0694,345.0773,343.0616,27628,29732,Chemical info is verified,
StNorman618,Paclobutrazol,CAS_RN: 76738-62-0,CC(C)(C)[C@@H](O)C(Cc1ccc(Cl)cc1)n2cncn2.CC(C)(C)[C@H](O)C(Cc3ccc(Cl)cc3)n4cncn4,CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n1cncn1,"InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3",RMOGWMIKYWRTKW-UHFFFAOYSA-N,293.1295,294.1373,292.1217,66322,616765,Chemical info is verified,
StNorman619,Parathion,CAS_RN: 56-38-2,CCO[P](=S)(OCC)Oc1ccc(cc1)[N+]([O-])=O,CCOP(=S)(OCC)Oc1ccc(cc1)N(=O)=O,"InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3",LCCNCVORNKJIRZ-UHFFFAOYSA-N,291.033,292.0409,290.0252,13844817,991,Chemical info is verified,
StNorman620,Parathion methyl,CAS_RN: 298-00-0,CO[P](=S)(OC)Oc1ccc(cc1)[N+]([O-])=O,COP(=S)(OC)Oc1ccc(cc1)N(=O)=O,"InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3",RLBIQVVOMOPOHC-UHFFFAOYSA-N,263.0017,264.0096,261.9939,3987,4130,Chemical info is verified,
StNorman621,Pendimethalin,CAS_RN: 40487-42-1,CCC(CC)Nc1c(cc(C)c(C)c1[N+]([O-])=O)[N+]([O-])=O,CCC(CC)Nc1c(cc(C)c(C)c1N(=O)=O)N(=O)=O,"InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3",CHIFOSRWCNZCFN-UHFFFAOYSA-N,281.1376,282.1454,280.1297,35265,38479,Chemical info is verified,
StNorman622,Phoxime,CAS_RN: 14816-18-3,CCO[P](=S)(OCC)O\N=C(C#N)\c1ccccc1,CCOP(=S)(OCC)O/N=C(\C#N)/c1ccccc1,"InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12+",ATROHALUCMTWTB-WYMLVPIESA-N,298.0541,299.0619,297.0463,25076,9570290,Chemical info is verified,
StNorman623,Pirimiphos-methyl,CAS_RN: 29232-93-7,CCN(CC)c1nc(C)cc(O[P](=S)(OC)OC)n1,CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1,"InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3",QHOQHJPRIBSPCY-UHFFFAOYSA-N,305.0963,306.1041,304.0885,31773,34526,Chemical info is verified,
StNorman624,Prochloraz,CAS_RN: 67747-09-5,CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n2ccnc2,CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1,"InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3",TVLSRXXIMLFWEO-UHFFFAOYSA-N,375.0308,376.0386,374.023,66316,73665,Chemical info is verified,
StNorman625,Propachlor,CAS_RN: 1918-16-7,CC(C)N(C(=O)CCl)c1ccccc1,CC(C)N(C(=O)CCl)c1ccccc1,"InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",MFOUDYKPLGXPGO-UHFFFAOYSA-N,211.0764,212.0842,210.0686,4762,4931,Chemical info is verified,
StNorman626,Propanil,CAS_RN: 709-98-8,CCC(=O)Nc1ccc(Cl)c(Cl)c1,CCC(=O)Nc1ccc(Cl)c(Cl)c1,"InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)",LFULEKSKNZEWOE-UHFFFAOYSA-N,217.0061,218.0139,215.9983,4764,4933,Chemical info is verified,
StNorman627,Propazine,CAS_RN: 139-40-2,CC(C)Nc1nc(Cl)nc(NC(C)C)n1,CC(C)Nc1nc(Cl)nc(NC(C)C)n1,"InChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)",WJNRPILHGGKWCK-UHFFFAOYSA-N,229.1094,230.1172,228.1016,4768,4937,Chemical info is verified,
StNorman628,Propiconazole,CAS_RN: 60207-90-1,CCCC1COC(Cn2cncn2)(O1)c3ccc(Cl)cc3Cl,CCCC1COC(Cn2cncn2)(O1)c1ccc(Cl)cc1Cl,"InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3",STJLVHWMYQXCPB-UHFFFAOYSA-N,341.0698,342.0776,340.062,39402,43234,Chemical info is verified,
StNorman629,Propyzamide,CAS_RN: 23950-58-5,CC(C)(NC(=O)c1cc(Cl)cc(Cl)c1)C#C,CC(C)(NC(=O)c1cc(Cl)cc(Cl)c1)C#C,"InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)",PHNUZKMIPFFYSO-UHFFFAOYSA-N,255.0218,256.0296,254.0139,29822,32154,Chemical info is verified,
StNorman630,Quinmerac,CAS_RN: 90717-03-6,Cc1cnc2c(ccc(Cl)c2C(O)=O)c1,Cc1cnc2c(ccc(Cl)c2C(=O)O)c1,"InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)",ALZOLUNSQWINIR-UHFFFAOYSA-N,221.0244,222.0322,220.0165,82847,91749,Chemical info is verified,
StNorman631,Quinoxyfen,CAS_RN: 124495-18-7,Fc1ccc(Oc2ccnc3cc(Cl)cc(Cl)c23)cc1,Fc1ccc(Oc2ccnc3cc(Cl)cc(Cl)c23)cc1,InChI=1S/C15H8Cl2FNO/c16-9-7-12(17)15-13(8-9)19-6-5-14(15)20-11-3-1-10(18)2-4-11/h1-8H,WRPIRSINYZBGPK-UHFFFAOYSA-N,306.9967,308.0045,305.9889,2635909,3391107,Chemical info is verified,
StNorman632,Thiodicarb,CAS_RN: 59669-26-0,CSC(/C)=N/OC(=O)N(C)SN(C)C(=O)O\N=C(/C)SC,CS/C(=N/OC(=O)N(C)SN(C)C(=O)O/N=C(\C)/SC)/C,"InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3/b11-7+,12-8+",XDOTVMNBCQVZKG-MKICQXMISA-N,354.049,355.0568,353.0412,7875353,9601227,Chemical info is verified,
StNorman633,Tolclofos methyl,CAS_RN: 57018-04-9,CO[P](=S)(OC)Oc1c(Cl)cc(C)cc1Cl,COP(=S)(OC)Oc1c(Cl)cc(C)cc1Cl,"InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3",OBZIQQJJIKNWNO-UHFFFAOYSA-N,299.9544,300.9622,298.9465,82767,91664,Chemical info is verified,
StNorman634,Tolylfluanid,CAS_RN: 731-27-1,CN(C)[S](=O)(=O)N(SC(F)(Cl)Cl)c1ccc(C)cc1,CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccc(C)cc1,"InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3",HYVWIQDYBVKITD-UHFFFAOYSA-N,345.978,346.9858,344.9701,12364,12898,Chemical info is verified,
StNorman635,Triallate,CAS_RN: 2303-17-5,CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl,CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl,"InChI=1S/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3",MWBPRDONLNQCFV-UHFFFAOYSA-N,303.0018,304.0096,301.994,5342,5543,Chemical info is verified,
StNorman636,Triclocarban,CAS_RN: 101-20-2,Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,"InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)",ICUTUKXCWQYESQ-UHFFFAOYSA-N,313.978,314.9859,312.9702,7266,7547,Chemical info is verified,
StNorman637,Metrifonate (Trichlorfon),CAS_RN: 52-68-6,CO[P](=O)(OC)C(O)C(Cl)(Cl)Cl,COP(=O)(OC)C(O)C(Cl)(Cl)Cl,"InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3",NFACJZMKEDPNKN-UHFFFAOYSA-N,255.9226,256.9304,254.9148,5644,5853,Chemical info is verified,
StNorman638,Desmethylnaproxen (metabolite of NAPROXENE),CAS_RN: 60756-73-2,CC(C(O)=O)c1ccc2cc(O)ccc2c1,CC(C(=O)O)c1ccc2cc(O)ccc2c1,"InChI=1S/C13H12O3/c1-8(13(15)16)9-2-3-11-7-12(14)5-4-10(11)6-9/h2-8,14H,1H3,(H,15,16)",XWJUDDGELKXYNO-UHFFFAOYSA-N,216.0786,217.0865,215.0708,143026,162920,Chemical info is not verified,
StNorman639,Acetazolamide,CAS_RN: 59-66-5,CC(=O)Nc1sc(nn1)[S](N)(=O)=O,CC(=O)Nc1sc(nn1)S(=O)(=O)N,"InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)",BZKPWHYZMXOIDC-UHFFFAOYSA-N,221.9881,222.996,220.9803,1909,1986,Chemical info is verified,
StNorman640,"Anthracen-1,4-dione",CAS_RN: 635-12-1,O=C1C=CC(=O)c2cc3ccccc3cc12,O=C1C=CC(=O)c2cc3ccccc3cc12,InChI=1S/C14H8O2/c15-13-5-6-14(16)12-8-10-4-2-1-3-9(10)7-11(12)13/h1-8H,LSOTZYUVGZKSHR-UHFFFAOYSA-N,208.0524,209.0603,207.0446,62664,69457,Chemical info is verified,
StNorman641,Apramycin,CAS_RN: 37321-09-8,CN[C@H]1[C@@H](O)[C@H]2O[C@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)[C@H](N)C[C@@H]2O[C@@H]1O[C@H]4O[C@H](CO)[C@@H](N)[C@H](O)[C@H]4O.O[S](O)(=O)=O,CNC1C(O)C2OC(OC3C(N)CC(N)C(O)C3O)C(N)CC2OC1OC1OC(CO)C(N)C(O)C1O,"InChI=1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3",XZNUGFQTQHRASN-UHFFFAOYSA-N,539.2803,540.2881,538.2724,2339128,439519,Chemical info is not verified,
StNorman642,Baclofen,CAS_RN: 1134-47-0,NCC(CC(O)=O)c1ccc(Cl)cc1,NCC(CC(=O)O)c1ccc(Cl)cc1,"InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)",KPYSYYIEGFHWSV-UHFFFAOYSA-N,213.0557,214.0635,212.0478,2197,2284,Chemical info is verified,
StNorman643,Baquiloprim,CAS_RN: 102280-35-3,CCNc1c(C)cc(Cc2cnc(N)nc2N)c3cccnc13,CCNc1c(C)cc(Cc2cnc(N)nc2N)c2cccnc12,"InChI=1S/C17H20N6/c1-3-20-14-10(2)7-11(13-5-4-6-21-15(13)14)8-12-9-22-17(19)23-16(12)18/h4-7,9,20H,3,8H2,1-2H3,(H4,18,19,22,23)",GBMNYEUJXTUAKB-UHFFFAOYSA-N,308.1749,309.1828,307.1671,8037126,72121,Chemical info is not verified,
StNorman644,Cefacetrile,CAS_RN: 10206-21-0,CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CC#N)C2=O)C(O)=O,CC(=O)OCC1=C(N2C(SC1)C(NC(=O)CC#N)C2=O)C(=O)O,"InChI=1S/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)",RRYMAQUWDLIUPV-UHFFFAOYSA-N,339.0525,340.0603,338.0447,82675,NA,Chemical info is not verified,
StNorman645,Cefalexin,CAS_RN: 15686-71-2,O.[Cl-].CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O)C(O)=O.[H+],CC1=C(N2C(SC1)C(NC(=O)C(N)c1ccccc1)C2=O)C(=O)O,"InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)",ZAIPMKNFIOOWCQ-UHFFFAOYSA-N,347.094,348.1018,346.0862,25541,NA,Chemical info is not verified,
StNorman646,Cefalonium,CAS_RN: 5575-21-3,NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)Cc4sccc4)C3=O)C([O-])=O)cc1,NC(=O)c1cc[n+](CC2=C(N3C(SC2)C(NC(=O)Cc2sccc2)C3=O)C(=O)O)cc1,"InChI=1S/C20H18N4O5S2/c21-17(26)11-3-5-23(6-4-11)9-12-10-31-19-15(18(27)24(19)16(12)20(28)29)22-14(25)8-13-2-1-7-30-13/h1-7,15,19H,8-10H2,(H3-,21,22,25,26,28,29)/p+1",FMZXNVLFJHCSAF-UHFFFAOYSA-O,459.0791,460.087,458.0713,20438,NA,Chemical info is not verified,
StNorman647,Cefapirin,CAS_RN: 21593-23-7,[Na+].CC(=O)OCC1=C(N2C(SC1)C(NC(=O)CSc3ccncc3)C2=O)C([O-])=O,CC(=O)OCC1=C(N2C(SC1)C(NC(=O)CSc1ccncc1)C2=O)C(=O)O,"InChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)",UQLLWWBDSUHNEB-UHFFFAOYSA-N,423.0559,424.0637,422.0481,2517,2616,Chemical info is not verified,
StNorman648,Cefazoline,CAS_RN: 25953-19-9,Cc1nnc(s1)SCC2=C(N3C(C(C3=O)NC(=O)Cn4cnnn4)SC2)C(=O)O,Cc1nnc(s1)SCC1=C(N2C(C(C2=O)NC(=O)Cn2cnnn2)SC1)C(=O)O,"InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)",MLYYVTUWGNIJIB-UHFFFAOYSA-N,454.03,455.0378,453.0222,2519,2618,Chemical info is not verified,
StNorman649,Cefoperazone,CAS_RN: 62893-19-0,[Na+].CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C([O-])=O)CSc4nnnn4C)c5ccc(O)cc5)C(=O)C1=O,CCN1CCN(C(=O)NC(C(=O)NC2C3SCC(=C(N3C2=O)C(=O)O)CSc2nnnn2C)c2ccc(O)cc2)C(=O)C1=O,"InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)",GCFBRXLSHGKWDP-UHFFFAOYSA-N,645.1424,646.1502,644.1346,40205,2630,Chemical info is not verified,
StNorman650,Crotamiton,CAS_RN: 483-63-6,CCN(C(=O)\C=C\C)c1ccccc1C,CCN(C(=O)/C=C/C)c1ccccc1C,"InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3/b8-4+",DNTGGZPQPQTDQF-XBXARRHUSA-N,203.131,204.1388,202.1232,2780,688020,Chemical info is verified,
StNorman651,Dantrolene,CAS_RN: 7261-97-4,[O-][N+](=O)c1ccc(cc1)c2oc(cc2)\C=N\N3CC(=O)NC3=O,O=N(=O)c1ccc(cc1)c1oc(cc1)/C=N/N1CC(=O)NC1=O,"InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)/b15-7+",OZOMQRBLCMDCEG-VIZOYTHASA-N,314.0651,315.0729,313.0573,2847,6914273,Chemical info is verified,
StNorman652,Dapsone,CAS_RN: 80-08-0,Nc1ccc(cc1)[S](=O)(=O)c2ccc(N)cc2,Nc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1,"InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2",MQJKPEGWNLWLTK-UHFFFAOYSA-N,248.0619,249.0698,247.0541,2849,2955,Chemical info is verified,
StNorman653,Difloxacin,CAS_RN: 98106-17-3,CN1CCN(CC1)c2cc3N(C=C(C(O)=O)C(=O)c3cc2F)c4ccc(F)cc4,CN1CCN(CC1)c1cc2n(cc(C(=O)O)c(=O)c2cc1F)c1ccc(F)cc1,"InChI=1S/C21H19F2N3O3/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,28,29)",NOCJXYPHIIZEHN-UHFFFAOYSA-N,399.1394,400.1473,398.1316,50725,NA,Chemical info is not verified,
StNorman654,Domperidone,CAS_RN: 57808-66-9,Clc1ccc2N(C3CCN(CCCN4C(=O)Nc5ccccc45)CC3)C(=O)Nc2c1,Clc1ccc2n(C3CCN(CCCn4c(=O)[nH]c5ccccc45)CC3)c(=O)[nH]c2c1,"InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)",FGXWKSZFVQUSTL-UHFFFAOYSA-N,425.1619,426.1697,424.154,3039,3151,Chemical info is verified,
StNorman655,Esomeprazole,CAS_RN: 119141-88-7,COc1ccc2nc([nH]c2c1)[S@](=O)Cc3ncc(C)c(OC)c3C,COc1ccc2nc([nH]c2c1)S(=O)Cc1ncc(C)c(OC)c1C,"InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)",SUBDBMMJDZJVOS-UHFFFAOYSA-N,345.1147,346.1225,344.1069,7843323,4594,Chemical info is verified,
StNorman656,Ethosuximide,CAS_RN: 77-67-8,CCC1(C)CC(=O)NC1=O,CCC1(C)CC(=O)NC1=O,"InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)",HAPOVYFOVVWLRS-UHFFFAOYSA-N,141.079,142.0868,140.0712,3175,3291,Chemical info is verified,
StNorman657,Flucloxacillin,CAS_RN: 5250-39-5,Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c4c(F)cccc4Cl,Cc1onc(c1C(=O)NC1C2SC(C)(C)C(N2C1=O)C(=O)O)c1c(F)cccc1Cl,"InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)",UIOFUWFRIANQPC-UHFFFAOYSA-N,453.0561,454.064,452.0483,20037,3364,Chemical info is not verified,
StNorman658,Gentamicin,CAS_RN: 1403-66-3,CNC(C)C1CCC(N)C(O1)OC2C(N)CC(N)C(OC3OCC(C)(O)C(NC)C3O)C2O,CNC(C)C1CCC(N)C(O1)OC1C(N)CC(N)C(OC2OCC(C)(O)C(NC)C2O)C1O,"InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3",CEAZRRDELHUEMR-UHFFFAOYSA-N,477.3162,478.3241,476.3084,390067,3467,Chemical info is verified,
StNorman659,"1,1,1-Trichloro-2,2-dihydroxyethane (Chloral hydrate)",CAS_RN: 302-17-0,OC(O)C(Cl)(Cl)Cl,OC(O)C(Cl)(Cl)Cl,"InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H",RNFNDJAIBTYOQL-UHFFFAOYSA-N,163.9199,164.9277,162.912,2606,2707,Chemical info is verified,
StNorman660,Chlorobutanol,CAS_RN: 57-15-8,CC(C)(O)C(Cl)(Cl)Cl,CC(C)(O)C(Cl)(Cl)Cl,"InChI=1S/C4H7Cl3O/c1-3(2,8)4(5,6)7/h8H,1-2H3",OSASVXMJTNOKOY-UHFFFAOYSA-N,175.9562,176.9641,174.9484,13842993,5977,Chemical info is verified,
StNorman661,1-Hydroxy Ibuprofen,CAS_RN: 53949-53-4,CC(C)C(c1ccc(cc1)C(C)C(=O)O)O,CC(C)C(c1ccc(cc1)C(C)C(=O)O)O,"InChI=1S/C13H18O3/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9,12,14H,1-3H3,(H,15,16)",RMOQYHYFRKTDRI-UHFFFAOYSA-N,222.1256,223.1334,221.1178,21686528,45117195,Chemical info is verified,
StNorman662,2-Hydroxy Ibuprofen,CAS_RN: 51146-55-5,O=C(O)C(c1ccc(cc1)CC(O)(C)C)C,O=C(O)C(c1ccc(cc1)CC(O)(C)C)C,"InChI=1S/C13H18O3/c1-9(12(14)15)11-6-4-10(5-7-11)8-13(2,3)16/h4-7,9,16H,8H2,1-3H3,(H,14,15)",UJHKVYPPCJBOSG-UHFFFAOYSA-N,222.1256,223.1334,221.1178,8618954,10443535,Chemical info is verified,
StNorman663,Iminostilbene,CAS_RN: 256-96-2,N1c2ccccc2C=Cc3ccccc13,N1c2ccccc2C=Cc2ccccc12,"InChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H",LCGTWRLJTMHIQZ-UHFFFAOYSA-N,193.0891,194.097,192.0813,8857,9212,Chemical info is verified,
StNorman664,Kanamycin sulfate,CAS_RN: 8063-07-8,NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O,NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2",SBUJHOSQTJFQJX-UHFFFAOYSA-N,484.2381,485.2459,483.2302,5810,815,Chemical info is not verified,
StNorman665,Lamotrigine,CAS_RN: 84057-84-1,Nc1nnc(c(N)n1)c2cccc(Cl)c2Cl,Nc1nnc(c(N)n1)c1cccc(Cl)c1Cl,"InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)",PYZRQGJRPPTADH-UHFFFAOYSA-N,255.0079,256.0157,254,3741,3878,Chemical info is verified,
StNorman666,Levetiracetam,CAS_RN: 102767-28-2,CC[C@@H](N1CCCC1=O)C(N)=O,CCC(N1CCCC1=O)C(=O)N,"InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)",HPHUVLMMVZITSG-UHFFFAOYSA-N,170.1055,171.1134,169.0977,4447633,59708,Chemical info is verified,
StNorman667,Lidocaine,CAS_RN: 137-58-6,CCN(CC)CC(=O)Nc1c(C)cccc1C,CCN(CC)CC(=O)Nc1c(C)cccc1C,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)",NNJVILVZKWQKPM-UHFFFAOYSA-N,234.1732,235.181,233.1654,3548,3676,Chemical info is verified,
StNorman668,Lithium carbonate,CAS_RN: 554-13-2,[Li+].[Li+].[O-]C([O-])=O,OC(=O)O,"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)",BVKZGUZCCUSVTD-UHFFFAOYSA-N,62.0004,63.0082,60.9926,10654,NA,Chemical info is not verified,
StNorman669,Marbofloxacin,CAS_RN: 115550-35-1,CN1CCN(CC1)c2c(F)cc3C(=O)C(=CN4N(C)COc2c34)C(O)=O,CN1CCN(CC1)c1c(F)cc2c(=O)c(cn3N(C)COc1c23)C(=O)O,"InChI=1S/C17H19FN4O4/c1-19-3-5-21(6-4-19)14-12(18)7-10-13-16(14)26-9-20(2)22(13)8-11(15(10)23)17(24)25/h7-8H,3-6,9H2,1-2H3,(H,24,25)",BPFYOAJNDMUVBL-UHFFFAOYSA-N,362.139,363.1469,361.1312,54663,NA,Chemical info is not verified,
StNorman670,Mebeverine,CAS_RN: 3625-06-7,[H+].[Cl-].CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc2ccc(OC)cc2,CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1,"InChI=1S/C25H35NO5/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5/h9-14,18-19H,6-8,15-17H2,1-5H3",VYVKHNNGDFVQGA-UHFFFAOYSA-N,429.2515,430.2593,428.2437,3891,4031,Chemical info is not verified,
StNorman671,Methylphenobarbital,CAS_RN: 115-38-8,CCC1(C(=O)NC(=O)N(C)C1=O)c2ccccc2,CCC1(C(=O)NC(=O)N(C)C1=O)c1ccccc1,"InChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)",ALARQZQTBTVLJV-UHFFFAOYSA-N,246.1004,247.1083,245.0926,7972,8271,Chemical info is verified,
StNorman672,Nafcillin,CAS_RN: 985-16-0,[Na+].CCOc1ccc2ccccc2c1C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C([O-])=O,CCOc1ccc2ccccc2c1C(=O)NC1C2SC(C)(C)C(N2C1=O)C(=O)O,"InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)",GPXLMGHLHQJAGZ-UHFFFAOYSA-N,414.1249,415.1328,413.1171,22036,23568,Chemical info is not verified,
StNorman673,Nandrolone,CAS_RN: 434-22-0,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O,CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2O,"InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3",NPAGDVCDWIYMMC-UHFFFAOYSA-N,274.1933,275.2011,273.1855,9520,220503,Chemical info is not verified,
StNorman674,Neomycin B,CAS_RN: 1404-04-2,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[C@@H]3O[C@H](CO)[C@@H](OC4O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]4N)[C@H]3O)[C@H](N)[C@@H](O)[C@@H]1O.O[S](O)(=O)=O,NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2",PGBHMTALBVVCIT-UHFFFAOYSA-N,614.3123,615.3201,613.3045,8075,4454,Chemical info is verified,
StNorman675,N-Methylphenacetine,CAS_RN: 7298-73-9,CCOc1ccc(cc1)N(C)C(C)=O,CCOc1ccc(cc1)N(C)C(=O)C,"InChI=1S/C11H15NO2/c1-4-14-11-7-5-10(6-8-11)12(3)9(2)13/h5-8H,4H2,1-3H3",LLYKXHAEYFJRQZ-UHFFFAOYSA-N,193.1103,194.1181,192.1025,22184,23724,Chemical info is verified,
StNorman676,Oxolinic acid,CAS_RN: 14698-29-4,CCN1C=C(C(O)=O)C(=O)c2cc3OCOc3cc12,CCn1cc(C(=O)O)c(=O)c2cc3OCOc3cc12,"InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)",KYGZCKSPAKDVKC-UHFFFAOYSA-N,261.0637,262.0715,260.0559,4467,4628,Chemical info is verified,
StNorman677,Phenobarbital,CAS_RN: 50-06-6,CCC1(C(=O)NC(=O)NC1=O)c2ccccc2,CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,"InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)",DDBREPKUVSBGFI-UHFFFAOYSA-N,232.0848,233.0926,231.077,4599,4763,Chemical info is verified,
StNorman678,Phenytoine,CAS_RN: 57-41-0,O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3,O=C1NC(=O)C(N1)(c1ccccc1)c1ccccc1,"InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)",CXOFVDLJLONNDW-UHFFFAOYSA-N,252.0899,253.0977,251.0821,1710,1775,Chemical info is verified,
StNorman679,Pipamperon,CAS_RN: 1893-33-0,[Cl-].[Cl-].NC(=O)C1(CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1)[NH+]3CCCCC3,NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1,"InChI=1S/C21H30FN3O2/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25/h6-9H,1-5,10-16H2,(H2,23,27)",AXKPFOAXAHJUAG-UHFFFAOYSA-N,375.2322,376.24,374.2244,4664,4830,Chemical info is verified,
StNorman680,Sarafloxacin,CAS_RN: 98105-99-8,[H+].[Cl-].OC(=O)C1=CN(c2ccc(F)cc2)c3cc(N4CCNCC4)c(F)cc3C1=O,OC(=O)c1cn(c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O,"InChI=1S/C20H17F2N3O3/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24/h1-4,9-11,23H,5-8H2,(H,27,28)",XBHBWNFJWIASRO-UHFFFAOYSA-N,385.1238,386.1316,384.116,50727,NA,Chemical info is not verified,
StNorman681,Secobarbital,CAS_RN: 76-73-3,CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O,CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O,"InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)",KQPKPCNLIDLUMF-UHFFFAOYSA-N,238.1317,239.1396,237.1239,5005,5193,Chemical info is verified,
StNorman682,Spectinomycin,CAS_RN: 1695-77-8,O.O.O.O.O.[Cl-].[Cl-].CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O.[H+].[H+],CNC1C(O)C(NC)C2OC3(O)C(OC(C)CC3=O)OC2C1O,"InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3",UNFWWIHTNXNPBV-UHFFFAOYSA-N,332.1584,333.1662,331.1505,28734,2021,Chemical info is verified,
StNorman683,Streptomycin,CAS_RN: 57-92-1,CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]2[C@@H](O[C@@H](C)[C@]2(O)C=O)O[C@H]3[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3N=C(N)N,CNC1C(O)C(O)C(CO)OC1OC1C(OC(C)C1(O)C=O)OC1C(O)C(O)C(N=C(N)N)C(O)C1N=C(N)N,"InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)",UCSJYZPVAKXKNQ-UHFFFAOYSA-N,581.2657,582.2735,580.2578,18508,5297,Chemical info is not verified,
StNorman684,Sulfadimethoxin,CAS_RN: 122-11-2,COc1cc(N[S](=O)(=O)c2ccc(N)cc2)nc(OC)n1,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,"InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)",ZZORFUFYDOWNEF-UHFFFAOYSA-N,310.0736,311.0814,309.0658,5132,5323,Chemical info is verified,
StNorman685,Sulfadoxin,CAS_RN: 2447-57-6,COc1ncnc(N[S](=O)(=O)c2ccc(N)cc2)c1OC,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,"InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)",PJSFRIWCGOHTNF-UHFFFAOYSA-N,310.0736,311.0814,309.0658,16218,17134,Chemical info is verified,
StNorman686,Taloxa,CAS_RN: 25451-15-4,NC(=O)OCC(COC(N)=O)c1ccccc1,NC(=O)OCC(COC(=O)N)c1ccccc1,"InChI=1S/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)",WKGXYQFOCVYPAC-UHFFFAOYSA-N,238.0954,239.1032,237.0875,3214,3331,Chemical info is verified,
StNorman687,Tilmicosin,CAS_RN: 108050-54-0,CC[C@H]1OC(=O)CC(O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H]([C@H]2O)N(C)C)[C@@H](CCN3CC(C)CC(C)C3)C[C@@H](C)C(=O)/C=C/C(=C/[C@@H]1CO[C@@H]4O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]4OC)C,CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(O)C(C2O)N(C)C)C(CCN2CC(C)CC(C)C2)CC(C)C(=O)/C=C\C(=C/C1COC1OC(C)C(O)C(OC)C1OC)\C,"InChI=1S/C46H80N2O13/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3/b15-14-,25-19-",JTSDBFGMPLKDCD-GHEYFECPSA-N,868.566,869.5739,867.5582,4445656,23277801,Chemical info is not verified,
StNorman688,Tramadol,CAS_RN: 27203-92-5,COc1cccc(c1)[C@@]2(O)CCCC[C@@H]2CN(C)C,COc1cccc(c1)C1(O)CCCCC1CN(C)C,"InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3",TVYLLZQTGLZFBW-UHFFFAOYSA-N,263.1885,264.1964,262.1807,31105,5523,Chemical info is verified,
StNorman689,Trimethoprim,CAS_RN: 738-70-5,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,"InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)",IEDVJHCEMCRBQM-UHFFFAOYSA-N,290.1379,291.1457,289.1301,5376,5578,Chemical info is verified,
StNorman690,Tylosin,CAS_RN: 1401-69-0,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(=C\[C@@H]1CO[C@@H]4O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]4OC)C,CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(C2O)N(C)C)C(CC=O)CC(C)C(=O)/C=C\C(=C/C1COC1OC(C)C(O)C(OC)C1OC)\C,"InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14-,23-18-",WBPYTXDJUQJLPQ-RZGVLIMISA-N,915.5192,916.527,914.5113,4447542,NA,Chemical info is not verified,
StNorman691,Valnemulin,CAS_RN: 101312-92-9,CC(C)C(N)C(=O)NCC(C)(C)SCC(=O)O[C@@H]1C[C@@](C)(C=C)[C@@H](O)[C@H](C)[C@@]23CCC(C)[C@]1(C)[C@@H]2C(=O)CC3,CC(C)C(N)C(=O)NCC(C)(C)SCC(=O)OC1CC(C)(C=C)C(O)C(C)C23CCC(C)C1(C)C2C(=O)CC3,"InChI=1S/C31H52N2O5S/c1-10-29(8)15-22(38-23(35)16-39-28(6,7)17-33-27(37)24(32)18(2)3)30(9)19(4)11-13-31(20(5)26(29)36)14-12-21(34)25(30)31/h10,18-20,22,24-26,36H,1,11-17,32H2,2-9H3,(H,33,37)",LLYYNOVSVPBRGV-UHFFFAOYSA-N,564.3597,565.3675,563.3519,8026591,21706784,Chemical info is not verified,
StNorman692,Valproic acid,CAS_RN: 99-66-1,CCCC(CCC)C(O)=O,CCCC(CCC)C(=O)O,"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)",NIJJYAXOARWZEE-UHFFFAOYSA-N,144.115,145.1229,143.1072,3009,3121,Chemical info is verified,
StNorman693,2-Ethylhexanoic acid 2-ethylhexyl ester,CAS_RN: 7425-14-1,CCCCC(CC)COC(=O)C(CC)CCCC,CCCCC(CC)COC(=O)C(CC)CCCC,"InChI=1S/C16H32O2/c1-5-9-11-14(7-3)13-18-16(17)15(8-4)12-10-6-2/h14-15H,5-13H2,1-4H3",OUCGJMIVSYHBEC-UHFFFAOYSA-N,256.2402,257.2481,255.2324,22349,23906,Chemical info is verified,
StNorman694,Diisodecyl phthalate,CAS_RN: 26761-40-0,CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C,CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C,"InChI=1S/C28H46O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3",ZVFDTKUVRCTHQE-UHFFFAOYSA-N,446.3396,447.3474,445.3318,30996,33599,Chemical info is verified,
StNorman695,Diisononyl phthalate,CAS_RN: 28553-12-0,CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C,CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C,"InChI=1S/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3",HBGGXOJOCNVPFY-UHFFFAOYSA-N,418.3083,419.3161,417.3005,31580,590836,Chemical info is not verified,
StNorman696,Diisopropylnaphthalene,CAS_RN: 38640-62-9,CC(C)c1cccc2c1cccc2C(C)C,CC(C)c1cccc2c1cccc2C(C)C,"InChI=1S/C16H20/c1-11(2)13-7-5-10-16-14(12(3)4)8-6-9-15(13)16/h5-12H,1-4H3",GFZWCYSEPXDDRI-UHFFFAOYSA-N,212.1565,213.1643,211.1487,105414,117971,Chemical info is verified,
StNorman697,"Methanone, Irgacure 184",CAS_RN: 947-19-3,OC1(CCCCC1)C(=O)c2ccccc2,OC1(CCCCC1)C(=O)c1ccccc1,"InChI=1S/C13H16O2/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1,3-4,7-8,15H,2,5-6,9-10H2",QNODIIQQMGDSEF-UHFFFAOYSA-N,204.115,205.1229,203.1072,63536,70355,Chemical info is verified,
StNorman698,N-butyl-benzenesulfonamide,CAS_RN: 3622-84-2,CCCCN[S](=O)(=O)c1ccccc1,CCCCNS(=O)(=O)c1ccccc1,"InChI=1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3",IPRJXAGUEGOFGG-UHFFFAOYSA-N,213.0823,214.0902,212.0745,18156,19241,Chemical info is verified,
StNorman699,N-Methyl-2-pyrrolidone,CAS_RN: 872-50-4,CN1CCCC1=O,CN1CCCC1=O,"InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3",SECXISVLQFMRJM-UHFFFAOYSA-N,99.0684,100.0762,98.0606,12814,13387,Chemical info is verified,
StNorman700,Tributylacetylcitrate,CAS_RN: 77-90-7,CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC,CCCCOC(=O)CC(CC(=O)OCCCC)(OC(=O)C)C(=O)OCCCC,"InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3",QZCLKYGREBVARF-UHFFFAOYSA-N,402.2254,403.2332,401.2175,6259,6505,Chemical info is verified,
StNorman701,Tris(2-methylpropyl) phosphate,CAS_RN: 126-71-6,CC(C)CO[P](=O)(OCC(C)C)OCC(C)C,CC(C)COP(=O)(OCC(C)C)OCC(C)C,"InChI=1S/C12H27O4P/c1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3",HRKAMJBPFPHCSD-UHFFFAOYSA-N,266.1647,267.1725,265.1569,29088,31355,Chemical info is verified,
StNorman702,"2,2,4-trimethylpentane-1,3-diol diisobutyrate",CAS_RN: 6846-50-0,CC(C)C(OC(=O)C(C)C)C(C)(C)COC(=O)C(C)C,CC(C)C(OC(=O)C(C)C)C(C)(C)COC(=O)C(C)C,"InChI=1S/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3",OMVSWZDEEGIJJI-UHFFFAOYSA-N,286.2144,287.2222,285.2066,21775,23284,Chemical info is verified,
StNorman703,"2,4-Dinitrophenol",CAS_RN: 51-28-5,Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O,Oc1ccc(cc1N(=O)=O)N(=O)=O,"InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H",UFBJCMHMOXMLKC-UHFFFAOYSA-N,184.012,185.0198,183.0042,1448,1493,Chemical info is verified,
StNorman704,"2,4,4'-tribromodiphenylether",CAS_RN: 41318-75-6,c1cc(ccc1Oc2ccc(cc2Br)Br)Br,c1cc(ccc1Oc1ccc(cc1Br)Br)Br,InChI=1S/C12H7Br3O/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H,UPNBETHEXPIWQX-UHFFFAOYSA-N,403.8047,404.8125,402.7969,10239063,12110098,Chemical info is verified,
StNorman705,"2,2',4,5'-Tetrabromodiphenylether",CAS_RN: 60044-24-8,Brc1ccccc1c2cc(Br)c(Br)cc2Br,Brc1ccccc1c1cc(Br)c(Br)cc1Br,InChI=1S/C12H6Br4/c13-9-4-2-1-3-7(9)8-5-11(15)12(16)6-10(8)14/h1-6H,PALAXWMMBSLIDB-UHFFFAOYSA-N,465.7203,466.7281,464.7125,514048,3017170,Chemical info is not verified,
StNorman706,"2,2',3,3',4,4',5,5',6-Nonabromodiphenylether",CAS_RN: 63387-28-0,c1c(c(c(c(c1Br)Br)Br)Br)Oc2c(c(c(c(c2Br)Br)Br)Br)Br,c1c(c(c(c(c1Br)Br)Br)Br)Oc1c(c(c(c(c1Br)Br)Br)Br)Br,InChI=1S/C12HBr9O/c13-2-1-3(5(15)6(16)4(2)14)22-12-10(20)8(18)7(17)9(19)11(12)21/h1H,CYRHBNRLQMLULE-UHFFFAOYSA-N,871.2678,872.2756,870.26,41371,45472,Chemical info is verified,
StNorman707,Difenacoum,CAS_RN: 56073-07-5,OC1=C(C2CC(Cc3ccccc23)c4ccc(cc4)c5ccccc5)C(=O)c6ccccc6O1,Oc1c(C2CC(Cc3ccccc23)c2ccc(cc2)c2ccccc2)c(=O)c2ccccc2o1,"InChI=1S/C31H24O3/c32-30-26-12-6-7-13-28(26)34-31(33)29(30)27-19-24(18-23-10-4-5-11-25(23)27)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-17,24,27,33H,18-19H2",NZOWVZVFSVRNOR-UHFFFAOYSA-N,444.1725,445.1804,443.1647,10469075,NA,Chemical info is not verified,
StNorman708,Difethialone,CAS_RN: 104653-34-1,OC1=C(C2CC(Cc3ccccc23)c4ccc(cc4)c5ccc(Br)cc5)C(=O)c6ccccc6S1,Oc1c(C2CC(Cc3ccccc23)c2ccc(cc2)c2ccc(Br)cc2)c(=O)c2ccccc2s1,"InChI=1S/C31H23BrO2S/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,34H,17-18H2",VSVAQRUUFVBBFS-UHFFFAOYSA-N,538.0602,539.068,537.0524,82868,91771,Chemical info is not verified,
StNorman709,bromadiolone,CAS_RN: 28772-56-7,OC(CC(c1ccccc1)C2=C(O)Oc3ccccc3C2=O)c4ccc(cc4)c5ccc(Br)cc5,OC(CC(c1ccccc1)c1c(O)oc2ccccc2c1=O)c1ccc(cc1)c1ccc(Br)cc1,"InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32,34H,18H2",IUZFQERQUZLNKQ-UHFFFAOYSA-N,526.078,527.0858,525.0701,10606098,NA,Chemical info is not verified,
StNorman710,Brodifacoum,CAS_RN: 56073-10-0,OC1=C(C2CC(Cc3ccccc23)c4ccc(cc4)c5ccc(Br)cc5)C(=O)c6ccccc6O1,Oc1c(C2CC(Cc3ccccc23)c2ccc(cc2)c2ccc(Br)cc2)c(=O)c2ccccc2o1,"InChI=1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,34H,17-18H2",LNDUTAIPEYOCDF-UHFFFAOYSA-N,522.0831,523.0909,521.0752,38082,NA,Chemical info is not verified,
StNorman711,d-Phenothrin,CAS_RN: 188023-86-1,CC(=C[C@H]1[C@H](C1(C)C)C(=O)OCc2cccc(c2)Oc3ccccc3)C,CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,"InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3",SBNFWQZLDJGRLK-UHFFFAOYSA-N,350.1882,351.196,349.1804,163264,4767,Chemical info is verified,
StNorman712,Flufenoxuron,CAS_RN: 101463-69-8,Fc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1NC(=O)NC(=O)c3c(F)cccc3F,Fc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1NC(=O)NC(=O)c1c(F)cccc1F,"InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)",RYLHNOVXKPXDIP-UHFFFAOYSA-N,488.0362,489.0441,487.0284,82863,91766,Chemical info is verified,
StNorman713,Flocoumafen,CAS_RN: 90035-08-8,OC1=C(C2CC(Cc3ccccc23)c4ccc(OCc5ccc(cc5)C(F)(F)F)cc4)C(=O)c6ccccc6O1,Oc1c(C2CC(Cc3ccccc23)c2ccc(OCc3ccc(cc3)C(F)(F)F)cc2)c(=O)c2ccccc2o1,"InChI=1S/C33H25F3O4/c34-33(35,36)24-13-9-20(10-14-24)19-39-25-15-11-21(12-16-25)23-17-22-5-1-2-6-26(22)28(18-23)30-31(37)27-7-3-4-8-29(27)40-32(30)38/h1-16,23,28,38H,17-19H2",OWUZCVPRFKSBRG-UHFFFAOYSA-N,542.1705,543.1783,541.1627,82846,NA,Chemical info is not verified,
StNorman714,Creosote,CAS_RN: 8001-58-9,COC1=C(O)C=CC=C1,COC1=C(O)C=CC=C1,"InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3",LHGVFZTZFXWLCP-UHFFFAOYSA-N,124.0524,125.0603,123.0445,NA,NA,Chemical info is not verified,
StNorman715,Abamectin,CAS_RN: 71751-41-2,CCC(C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C/6CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2)C=C[C@@H]1C.CO[C@H]8C[C@@H](O[C@@H](C)[C@@H]8O)O[C@H]9[C@H](C)O[C@H](C[C@@H]9OC)O[C@H]/%10[C@@H](C)/C=C/C=C/%11CO[C@@H]%12[C@H](O)C(=C[C@@H](C(=O)O[C@H]%13C[C@@H](C\C=C%10C)O[C@@]%14(C%13)O[C@H](C(C)C)[C@@H](C)C=C%14)[C@]%11%12O)C,CCC(C)C1OC2(CC3CC(C/C=C(/C)\C(OC4CC(OC)C(OC5CC(OC)C(O)C(C)O5)C(C)O4)C(C)/C=C\C=C/4\COC5C(O)C(=CC(C(=O)O3)C45O)C)O2)C=CC1C,"InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12-,27-15-,32-14-",RRZXIRBKKLTSOM-JHJAMYNOSA-N,872.4922,873.5,871.4844,10286553,NA,Chemical info is not verified,
StNorman716,Alphachloralose (?-Chloralose),CAS_RN: 15879-93-3,OCC(O)[C@H]1OC2O[C@@H](O[C@@H]2[C@H]1O)C(Cl)(Cl)Cl,OCC(O)C1OC2OC(OC2C1O)C(Cl)(Cl)Cl,"InChI=1S/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2",OJYGBLRPYBAHRT-UHFFFAOYSA-N,307.9621,308.9699,306.9543,4447425,85991,Chemical info is verified,
StNorman717,Bifenthrin,CAS_RN: 82657-04-3,Cc1c(COC(=O)C2C(\C=C(/Cl)C(F)(F)F)C2(C)C)cccc1c3ccccc3,Cc1c(COC(=O)C2C(/C=C(\Cl)/C(F)(F)F)C2(C)C)cccc1c1ccccc1,"InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-",OMFRMAHOUUJSGP-UNOMPAQXSA-N,422.126,423.1339,421.1182,49574,5281872,Chemical info is verified,
StNorman718,Chlorfenapyr,CAS_RN: 122453-73-0,CCOCn1c(c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F,CCOCn1c(c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F,"InChI=1S/C15H11BrClF3N2O/c1-2-23-8-22-13(9-3-5-10(17)6-4-9)11(7-21)12(16)14(22)15(18,19)20/h3-6H,2,8H2,1H3",CWFOCCVIPCEQCK-UHFFFAOYSA-N,405.9695,406.9774,404.9617,82875,91778,Chemical info is verified,
StNorman719,Chlorophacinone,CAS_RN: 3691-35-8,Clc1ccc(cc1)C(C(=O)C2C(=O)c3ccccc3C2=O)c4ccccc4,Clc1ccc(cc1)C(C(=O)C1C(=O)c2ccccc2C1=O)c1ccccc1,"InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H",UDHXJZHVNHGCEC-UHFFFAOYSA-N,374.071,375.0788,373.0631,18286,19402,Chemical info is verified,
StNorman720,Clothianidin,CAS_RN: 210880-92-5,CN=C(NCc1sc(Cl)nc1)N[N+]([O-])=O,C/N=C(\NCc1sc(Cl)nc1)/NN(=O)=O,"InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)",PGOOBECODWQEAB-UHFFFAOYSA-N,249.0087,250.0165,248.0009,184723,213027,Chemical info is verified,
StNorman721,K-HDO,CAS_RN: 66603-10-9,[K+].[O-][N+]([O-])=NC1CCCCC1,O/N(=N/C1CCCCC1)/O,"InChI=1S/C6H12N2O2/c9-8(10)7-6-4-2-1-3-5-6/h6H,1-5H2,(H,7,9,10)",JMWLSOKHELZSAZ-UHFFFAOYSA-N,144.0899,145.0977,143.0821,NA,71402195,Chemical info is not verified,
StNorman722,Cyfluthrin,CAS_RN: 68359-37-5,CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2ccc(F)c(Oc3ccccc3)c2,CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1ccc(F)c(Oc2ccccc2)c1,"InChI=1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3",QQODLKZGRKWIFG-UHFFFAOYSA-N,433.0648,434.0726,432.057,45482,104926,Chemical info is verified,
StNorman723,DDACarbonate,CAS_RN: 894406-76-9,CCCCCCCCCCCC[NH+](C)C.C(=O)(O)[O-],CCCCCCCCCCCCN(C)C,"InChI=1S/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3",YWFWDNVOPHGWMX-UHFFFAOYSA-N,213.2456,214.2535,212.2378,29325816 or 7876,NA,Chemical info is not verified,
StNorman724,Didecylmethylpoly(oxyethyl)ammonium Propionate (Bardap 26),CAS_RN: 94667-33-1,NA,NA,NA,NA,NA,NA,NA,NA,NA,Chemical info is not verified,MIXTURE: https://echa.europa.eu/documents/10162/1c0ba851-8f48-459a-a624-8d25092c9190
StNorman725,Fenpropimorph,CAS_RN: 67564-91-4,CC(CN1C[C@H](C)O[C@H](C)C1)Cc2ccc(cc2)C(C)(C)C,CC(CN1CC(C)OC(C)C1)Cc1ccc(cc1)C(C)(C)C,"InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3",RYAUSSKQMZRMAI-UHFFFAOYSA-N,303.2562,304.264,302.2484,84290,91695,Chemical info is not verified,
StNorman726,Fipronil,CAS_RN: 120068-37-3,Nc1n(nc(C#N)c1[S](=O)C(F)(F)F)c2c(Cl)cc(cc2Cl)C(F)(F)F,Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(cc1Cl)C(F)(F)F,"InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2",ZOCSXAVNDGMNBV-UHFFFAOYSA-N,435.9387,436.9465,434.9309,3235,3352,Chemical info is verified,
StNorman727,Icaridin,CAS_RN: 119515-38-7,CCC(C)OC(=O)N1CCCCC1CCO,CCC(C)OC(=O)N1CCCCC1CCO,"InChI=1S/C12H23NO3/c1-3-10(2)16-12(15)13-8-5-4-6-11(13)7-9-14/h10-11,14H,3-9H2,1-2H3",QLHULAHOXSSASE-UHFFFAOYSA-N,229.1678,230.1756,228.16,54704,125098,Chemical info is not verified,
StNorman728,Imiprothrin,CAS_RN: 72963-72-5,CC(C)=CC1C(C(=O)OCN2C(=O)CN(CC#C)C2=O)C1(C)C,CC(=CC1C(C(=O)OCN2C(=O)CN(CC#C)C2=O)C1(C)C)C,"InChI=1S/C17H22N2O4/c1-6-7-18-9-13(20)19(16(18)22)10-23-15(21)14-12(8-11(2)3)17(14,4)5/h1,8,12,14H,7,9-10H2,2-5H3",VPRAQYXPZIFIOH-UHFFFAOYSA-N,318.158,319.1658,317.1501,11677252,123622,Chemical info is not verified,
StNorman729,Methyl neodecanamide,CAS_RN: 105726-67-8,CCCC(CC)(CCC)C(=O)NC,CCCC(CC)(CCC)C(=O)NC,"InChI=1S/C11H23NO/c1-5-8-11(7-3,9-6-2)10(13)12-4/h5-9H2,1-4H3,(H,12,13)",GELCOLZWXWHMIB-UHFFFAOYSA-N,185.178,186.1858,184.1701,9281184,213036,Chemical info is not verified,
StNorman730,Spinosad,CAS_RN: 168316-95-8,CCC1CCCC(OC2CCC(C(C)O2)N(C)C)C(C)C(=O)C3CC4C(CCC5CC(CC45)OC6CC(C)C(OC)C(OC)C6OC)C3CC(=O)O1,CCC1CCCC(OC2CCC(C(C)O2)N(C)C)C(C)C(=O)C2CC3C(CCC4CC(CC34)OC3CC(C)C(OC)C(OC)C3OC)C2CC(=O)O1,"InChI=1S/C42H71NO9/c1-10-27-12-11-13-35(52-38-17-16-34(43(5)6)25(4)49-38)24(3)39(45)33-21-31-29(32(33)22-37(44)51-27)15-14-26-19-28(20-30(26)31)50-36-18-23(2)40(46-7)42(48-9)41(36)47-8/h23-36,38,40-42H,10-22H2,1-9H3",RQOIAWYOVOXMST-UHFFFAOYSA-N,733.5129,734.5207,732.5051,82879,91782,Chemical info is not verified,
StNorman731,Thiamethoxam,CAS_RN: 153719-23-4,CN1COCN(Cc2sc(Cl)nc2)/C1=N/[N+]([O-])=O,CN1COCN(Cc2sc(Cl)nc2)/C/1=N/N(=O)=O,"InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+",NWWZPOKUUAIXIW-DHZHZOJOSA-N,291.0193,292.0271,290.0115,96828,5821911,Chemical info is verified,
StNorman732,"(Z,E)-Tetradeca-9,12-dienyl acetate",CAS_RN: 30507-70-1,C\C=C/C/C=C/CCCCCCCCOC(C)=O,C/C=C/C/C=C/CCCCCCCCOC(=O)C,"InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-4,6-7H,5,8-15H2,1-2H3/b4-3+,7-6+",ZZGJZGSVLNSDPG-FZWLCVONSA-N,252.2089,253.2168,251.2011,83314,6256685,Chemical info is not verified,
StNorman733,Muscalure (cis-Tricos-9-ene),CAS_RN: 27519-02-4,CCCCCCCCCCCCC\C=C/CCCCCCCC,CCCCCCCCCCCCC/C=C/CCCCCCCC,"InChI=1S/C23H46/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-23H2,1-2H3/b19-17+",IGOWHGRNPLFNDJ-HTXNQAPBSA-N,322.36,323.3678,321.3521,4517167,6385060,Chemical info is verified,
StNorman734,lambda-Cyhalothrin,CAS_RN: 91465-08-6,CC1(C)[C@@H](\C=C(/Cl)C(F)(F)F)[C@H]1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2,CC1(C)C(/C=C(\Cl)/C(F)(F)F)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1,"InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-",ZXQYGBMAQZUVMI-UNOMPAQXSA-N,449.1006,450.1084,448.0927,4940261,5281873,Chemical info is verified,
StNorman735,Acrolein / Acrylaldehyde,CAS_RN: 107-02-8,C=CC=O,C=CC=O,"InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2",HGINCPLSRVDWNT-UHFFFAOYSA-N,56.0262,57.034,55.0184,7559,7847,Chemical info is verified,
StNorman736,Tebuconazole,CAS_RN: 107534-96-3,CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn2cncn2,CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1,"InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3",PXMNMQRDXWABCY-UHFFFAOYSA-N,307.1451,308.153,306.1373,77680,86102,Chemical info is verified,
StNorman737,Thiacloprid,CAS_RN: 111988-49-9,Clc1ccc(CN2CCSC2=NC#N)cn1,Clc1ccc(CN2CCS/C/2=N/C#N)cn1,"InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10+",HOKKPVIRMVDYPB-GXDHUFHOSA-N,252.0236,253.0315,251.0158,10619142,NA,Chemical info is not verified,
StNorman738,Methyl nonyl ketone,CAS_RN: 112-12-9,CCCCCCCCCC(C)=O,CCCCCCCCCC(=O)C,"InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3",KYWIYKKSMDLRDC-UHFFFAOYSA-N,170.1671,171.1749,169.1592,7871,8163,Chemical info is verified,
StNorman739,Warfarin sodium,CAS_RN: 129-06-6,[Na+].CC(=O)CC([C-]1C(=O)Oc2ccccc2C1=O)c3ccccc3,CC(=O)CC(C1C(=O)Oc2ccccc2C1=O)c1ccccc1,"InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,17H,11H2,1H3",FQEPJUOLUDFINX-UHFFFAOYSA-N,308.1049,309.1127,307.097,17333193,9905588,Chemical info is not verified,
StNorman740,Indoxacarb,CAS_RN: 173584-44-6,COC(=O)N(C(=O)N1CO[C@]2(Cc3cc(Cl)ccc3C2=N1)C(=O)OC)c4ccc(OC(F)(F)F)cc4,COC(=O)N(C(=O)N1COC2(Cc3cc(Cl)ccc3C2=N1)C(=O)OC)c1ccc(OC(F)(F)F)cc1,"InChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3",VBCVPMMZEGZULK-UHFFFAOYSA-N,527.0707,528.0785,526.0629,96889,9936739,Chemical info is not verified,
StNorman741,Bendiocarb,CAS_RN: 22781-23-3,CNC(=O)Oc1cccc2OC(C)(C)Oc12,CNC(=O)Oc1cccc2OC(C)(C)Oc12,"InChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)",XEGGRYVFLWGFHI-UHFFFAOYSA-N,223.0845,224.0923,222.0766,2224,2314,Chemical info is verified,
StNorman742,"N-(3-aminopropyl)-N-dodecylpropane-1,3-diamine",CAS_RN: 2372-82-9,CCCCCCCCCCCCN(CCCN)CCCN,CCCCCCCCCCCCN(CCCN)CCCN,"InChI=1S/C18H41N3/c1-2-3-4-5-6-7-8-9-10-11-16-21(17-12-14-19)18-13-15-20/h2-20H2,1H3",NYNKJVPRTLBJNQ-UHFFFAOYSA-N,299.33,300.3379,298.3222,67940,75407,Chemical info is verified,
StNorman743,Metofluthrin,CAS_RN: 240494-70-6,COCc1c(F)c(F)c(COC(=O)C2C(\C=C\C)C2(C)C)c(F)c1F,COCc1c(F)c(F)c(COC(=O)C2C(/C=C/C)C2(C)C)c(F)c1F,"InChI=1S/C18H20F4O3/c1-5-6-11-12(18(11,2)3)17(23)25-8-10-15(21)13(19)9(7-24-4)14(20)16(10)22/h5-6,11-12H,7-8H2,1-4H3/b6-5+",KVIZNNVXXNFLMU-AATRIKPKSA-N,360.1349,361.1427,359.127,570989,5282227,Chemical info is verified,
StNorman744,Potassium sorbate / Sorbistat-K,CAS_RN: 24634-61-5,[K+].C/C=C/C=C/C([O-])=O,C/C=C/C=C/C(=O)O,"InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+",WSWCOQWTEOXDQX-MQQKCMAXSA-N,112.0524,113.0603,111.0446,4445644,643460,Chemical info is verified,
StNorman745,Sulphuryl difluoride,CAS_RN: 2699-79-8,F[S](F)(=O)=O,FS(=O)(=O)F,"InChI=1S/F2O2S/c1-5(2,3)4",OBTWBSRJZRCYQV-UHFFFAOYSA-N,101.9587,102.9665,100.9509,16647,17607,Chemical info is verified,
StNorman746,Bis-(N-cyclohexyldiazeniumdioxy)-copper,CAS_RN: 312600-89-8,[Cu++].[O-]N(N=O)C1CCCCC1.[O-]N(N=O)C1CCCCC1,ON(N=O)C1CCCCC1,"InChI=1S/C6H12N2O2/c9-7-8(10)6-4-2-1-3-5-6/h6,10H,1-5H2",LXCJGJYAOVCKLO-UHFFFAOYSA-N,144.0899,145.0977,143.0821,NA,NA,Chemical info is not verified,
StNorman747,Dazomet,CAS_RN: 533-74-4,CN1CSC(=S)N(C)C1,CN1CSC(=S)N(C)C1,"InChI=1S/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3",QAYICIQNSGETAS-UHFFFAOYSA-N,162.0285,163.0364,161.0207,10332,10788,Chemical info is verified,
StNorman748,3-iodo-2-propynyl butylcarbamate,CAS_RN: 55406-53-6,CCCCNC(=O)OCC#CI,CCCCNC(=O)OCC#CI,"InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11)",WYVVKGNFXHOCQV-UHFFFAOYSA-N,280.9913,281.9991,279.9834,55933,62097,Chemical info is verified,
StNorman749,Coumatetralyl,CAS_RN: 5836-29-3,OC1=C(C2CCCc3ccccc23)C(=O)c4ccccc4O1,Oc1c(C2CCCc3ccccc23)c(=O)c2ccccc2o1,"InChI=1S/C19H16O3/c20-18-15-9-3-4-11-16(15)22-19(21)17(18)14-10-5-7-12-6-1-2-8-13(12)14/h1-4,6,8-9,11,14,21H,5,7,10H2",KIGBUEKEZHTCDR-UHFFFAOYSA-N,292.1099,293.1178,291.1021,10468736,NA,Chemical info is not verified,
StNorman750,"Quaternary ammonium compounds (alkyltrimethyl (alkyl from C8-C18, saturated and unsaturated, and tallow alkyl, coco alkyl, and soya alkyl) chlorides, bromides, or methylsulphates)",CAS_RN: 61789-18-2,NA,NA,NA,NA,NA,NA,NA,NA,NA,Chemical info is not verified,MIXTURE: https://comptox.epa.gov/dashboard/dsstoxdb/results?utf8=%E2%9C%93&search=61789-18-2
StNorman751,"4,5-Dichloro-2-n-octyl-4-isothiazolin-3-one",CAS_RN: 64359-81-5,CCCCCCCCN1SC(=C(Cl)C1=O)Cl,CCCCCCCCn1sc(c(Cl)c1=O)Cl,"InChI=1S/C11H17Cl2NOS/c1-2-3-4-5-6-7-8-14-11(15)9(12)10(13)16-14/h2-8H2,1H3",PORQOHRXAJJKGK-UHFFFAOYSA-N,281.0408,282.0486,280.033,82791,91688,Chemical info is verified,
StNorman752,"Quaternary ammonium compounds, benzyl-C12-16-alkyldimethyl, chlorides",CAS_RN: 68424-85-1,[Cl-].CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,"InChI=1S/C23H42N/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23/h15-17,19-20H,4-14,18,21-22H2,1-3H3/q+1",WNBGYVXHFTYOBY-UHFFFAOYSA-N,332.3312,333.339,331.3234,8425,8756,Chemical info is not verified,MIXTURE
StNorman753,Didecyldimethylammonium chloride,CAS_RN: 7173-51-5,[Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC,CCCCCCCCCC[N+](C)(C)CCCCCCCCCC,"InChI=1S/C22H48N/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2/h5-22H2,1-4H3/q+1",JGFDZZLUDWMUQH-UHFFFAOYSA-N,326.3781,327.386,325.3703,22027,16958,Chemical info is verified,
StNorman754,Fenoxycarb / Ethyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate,CAS_RN: 72490-01-8,CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1,CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1,"InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)",HJUFTIJOISQSKQ-UHFFFAOYSA-N,301.1314,302.1392,300.1236,46739,51605,Chemical info is verified,
StNorman755,"Quaternary ammonium compounds (dialkyldimethyl (alkyl from C6-C18, saturated and unsaturated, and tallow alkyl, coco alkyl, and soya alkyl) chlorides, bromides, or methylsulphates)",CAS_RN: 73398-64-8,NA,NA,NA,NA,NA,NA,NA,NA,NA,Chemical info is not verified,MIXTURE: https://comptox.epa.gov/dashboard/dsstoxdb/results?utf8=%E2%9C%93&search=73398-64-8 
StNorman756,"Quaternary ammonium compounds (benzylalkyldimethyl (alkyl from C8-C22, saturated and unsaturated, tallow alkyl, coco alkyl, and soya alkyl) chlorides, bromides, or hydroxides)",CAS_RN: 8001-54-5,CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-],CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,"InChI=1S/C22H40N/c1-4-5-6-7-8-9-10-11-12-13-17-20-23(2,3)21-22-18-15-14-16-19-22/h14-16,18-19H,4-13,17,20-21H2,1-3H3/q+1",VVZBFOKBSDGVGZ-UHFFFAOYSA-N,318.3155,319.3234,317.3077,2282565,2330,Chemical info is not verified,MIXTURE
StNorman757,Etofenprox / 3-phenoxybenzyl-2-(4-ethoxyphenyl)-2-methylpropylether,CAS_RN: 80844-07-1,CCOc1ccc(cc1)C(C)(C)COCc2cccc(Oc3ccccc3)c2,CCOc1ccc(cc1)C(C)(C)COCc1cccc(Oc2ccccc2)c1,"InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3",YREQHYQNNWYQCJ-UHFFFAOYSA-N,376.2038,377.2117,375.196,64377,71245,Chemical info is verified,
StNorman758,Warfarin / Coumadin,CAS_RN: 81-81-2,CC(=O)CC(c1ccccc1)C2=C(O)Oc3ccccc3C2=O,CC(=O)CC(c1ccccc1)c1c(O)oc2ccccc2c1=O,"InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,22H,11H2,1H3",QTXVAVXCBMYBJW-UHFFFAOYSA-N,308.1049,309.1127,307.097,20198,NA,Chemical info is not verified,
StNorman759,Cyproconazole,CAS_RN: 94361-06-5,CC(C1CC1)C(O)(Cn2cncn2)c3ccc(Cl)cc3,CC(C1CC1)C(O)(Cn1cncn1)c1ccc(Cl)cc1,"InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3",UFNOUKDBUJZYDE-UHFFFAOYSA-N,291.1138,292.1217,290.106,77706,86132,Chemical info is verified,
StNorman760,"2,2-dibromo-2-cyanoacetamide",CAS_RN: 10222-01-2,NC(=O)C(Br)(Br)C#N,NC(=O)C(Br)(Br)C#N,"InChI=1S/C3H2Br2N2O/c4-3(5,1-6)2(7)8/h(H2,7,8)",UUIVKBHZENILKB-UHFFFAOYSA-N,239.8534,240.8612,238.8456,23422,25059,Chemical info is verified,
StNorman761,"1,3-dichloro-5,5-dimethylhydantoin",CAS_RN: 118-52-5,CC1(C)N(Cl)C(=O)N(Cl)C1=O,CC1(C)N(Cl)C(=O)N(Cl)C1=O,InChI=1S/C5H6Cl2N2O2/c1-5(2)3(10)8(6)4(11)9(5)7/h1-2H3,KEQGZUUPPQEDPF-UHFFFAOYSA-N,195.9806,196.9885,194.9728,8057,8360,Chemical info is verified,
StNorman762,2-Phenoxyethanol,CAS_RN: 122-99-6,OCCOc1ccccc1,OCCOc1ccccc1,"InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2",QCDWFXQBSFUVSP-UHFFFAOYSA-N,138.0681,139.0759,137.0603,13848467,31236,Chemical info is verified,
StNorman763,Cetylpyridinium chloride,CAS_RN: 123-03-5,[Cl-].CCCCCCCCCCCCCCCC[n+]1ccccc1,CCCCCCCCCCCCCCCC[n+]1ccccc1,"InChI=1S/C21H38N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3/q+1",NEUSVAOJNUQRTM-UHFFFAOYSA-N,304.2999,305.3077,303.2921,28979,2683,Chemical info is verified,
StNorman764,Chloramine-T / Tosylchloramide sodium,CAS_RN: 127-65-1,[Na+].Cc1ccc(cc1)[S](=O)(=O)[N-]Cl,Cc1ccc(cc1)S(=O)(=O)NCl,"InChI=1S/C7H8ClNO2S/c1-6-2-4-7(5-3-6)12(10,11)9-8/h2-5,9H,1H3",NXTVQNIVUKXOIL-UHFFFAOYSA-N,204.9964,206.0043,203.9886,2876055,31388,Chemical info is not verified,
StNorman765,Potassium dimethyldithiocarbamate,CAS_RN: 128-03-0,[K+].CN(C)C([S-])=S,CN(C)C(=S)S,"InChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6)",MZGNSEAPZQGJRB-UHFFFAOYSA-N,121.002,122.0098,119.9942,29127,6599,Chemical info is not verified,
StNorman766,Sodium dimethyldithiocarbamate,CAS_RN: 128-04-1,[Na+].CN(C)C([S-])=S,CN(C)C(=S)S,"InChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6)",MZGNSEAPZQGJRB-UHFFFAOYSA-N,121.002,122.0098,119.9942,29128,6599,Chemical info is not verified,
StNorman767,6-(phthalimido)peroxyhexanoic acid,CAS_RN: 128275-31-0,O=C2c1ccccc1C(=O)N2CCCCCC(=O)OO,O=C1c2ccccc2C(=O)N1CCCCCC(=O)OO,"InChI=1S/C14H15NO5/c16-12(20-19)8-2-1-5-9-15-13(17)10-6-3-4-7-11(10)14(15)18/h3-4,6-7,19H,1-2,5,8-9H2",UZJGVXSQDRSSHU-UHFFFAOYSA-N,277.095,278.1028,276.0872,8036120,9860421,Chemical info is verified,
StNorman768,Folpet / N-(trichloromethylthio)phthalimide,CAS_RN: 133-07-3,ClC(Cl)(Cl)SN1C(=O)c2ccccc2C1=O,ClC(Cl)(Cl)SN1C(=O)c2ccccc2C1=O,"InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H",HKIOYBQGHSTUDB-UHFFFAOYSA-N,294.9028,295.9107,293.895,8288,8607,Chemical info is verified,
StNorman769,"2-Butanone, peroxide",CAS_RN: 1338-23-4,CCC(C)(OO)OOC(C)(CC)OO,CCC(C)(OO)OOC(C)(CC)OO,"InChI=1S/C8H18O6/c1-5-7(3,11-9)13-14-8(4,6-2)12-10/h9-10H,5-6H2,1-4H3",WFUGQJXVXHBTEM-UHFFFAOYSA-N,210.1103,211.1182,209.1025,2905622,3672772,Chemical info is verified,
StNorman770,Dodecylguanidine monohydrochloride,CAS_RN: 13590-97-1,[H+].[Cl-].CCCCCCCCCCCCN=C(N)N,CCCCCCCCCCCCN=C(N)N,"InChI=1S/C13H29N3/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15/h2-12H2,1H3,(H4,14,15,16)",HILAYQUKKYWPJW-UHFFFAOYSA-N,227.2361,228.244,226.2283,7912,8204,Chemical info is verified,
StNorman771,Thiram / Tetramethylthiuram disulfide,CAS_RN: 137-26-8,CN(C)C(=S)SSC(=S)N(C)C,CN(C)C(=S)SSC(=S)N(C)C,InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3,KUAZQDVKQLNFPE-UHFFFAOYSA-N,239.9883,240.9962,238.9805,5256,5455,Chemical info is verified,
StNorman772,Metam-sodium / Carbathion,CAS_RN: 137-42-8,[Na+].CNC([S-])=S,CNC(=S)S,"InChI=1S/C2H5NS2/c1-3-2(4)5/h1H3,(H2,3,4,5)",HYVVJDQGXFXBRZ-UHFFFAOYSA-N,106.9863,107.9942,105.9785,2273119,3001858,Chemical info is not verified,
StNorman773,"Amines, n-C10-16-alkyltrimethylenedi-, reaction products with chloroacetic acid",CAS_RN: 139734-65-9,NA,NA,NA,NA,NA,NA,NA,NA,NA,Chemical info is not verified,MIXTURE
StNorman774,(Benzyloxy)methanol,CAS_RN: 14548-60-8,OCOCc1ccccc1,OCOCc1ccccc1,"InChI=1S/C8H10O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2",PETXWIMJICIQTQ-UHFFFAOYSA-N,138.0681,139.0759,137.0603,76246,84520,Chemical info is verified,
StNorman775,"Bis(1-hydroxy-1H-pyridine-2-thionato-O,S)copper",CAS_RN: 14915-37-8,[Cu++].[O-][n+]1ccccc1[S-].[O-][n+]2ccccc2[S-],O=n1ccccc1S,"InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H",FGVVTMRZYROCTH-UHFFFAOYSA-N,127.0092,128.017,126.0014,76402,NA,Chemical info is not verified,
StNorman776,Sodium p-chloro-m-cresolate,CAS_RN: 15733-22-9,[Na+].Cc1cc([O-])ccc1Cl,Cc1cc(O)ccc1Cl,"InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3",CFKMVGJGLGKFKI-UHFFFAOYSA-N,142.0185,143.0264,141.0107,76738,1732,Chemical info is verified,
StNorman777,"Chlorhexidine digluconate / D-gluconic acid, compound with N,N''-bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediamidine (2:1)",CAS_RN: 18472-51-0,NC(Nc1ccc(Cl)cc1)=NC(N)=NCCCCCCN=C(N)N=C(N)Nc2ccc(Cl)cc2.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O,N/C(=N/C(=N/CCCCCC/N=C(/N)\N=C(/N)\Nc1ccc(Cl)cc1)/N)/Nc1ccc(Cl)cc1,"InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)",GHXZTYHSJHQHIJ-UHFFFAOYSA-N,504.2032,505.211,503.1954,4514538,NA,Chemical info is not verified,MIXTURE
StNorman778,p-[(diiodomethyl)sulphonyl]toluene,CAS_RN: 20018-09-1,Cc1ccc(cc1)[S](=O)(=O)C(I)I,Cc1ccc(cc1)S(=O)(=O)C(I)I,"InChI=1S/C8H8I2O2S/c1-6-2-4-7(5-3-6)13(11,12)8(9)10/h2-5,8H,1H3",XOILGBPDXMVFIP-UHFFFAOYSA-N,421.8334,422.8413,420.8256,56482,62738,Chemical info is verified,
StNorman779,(benzothiazol-2-ylthio)methyl thiocyanate,CAS_RN: 21564-17-0,N#CSCSc1sc2ccccc2n1,N#CSCSc1sc2ccccc2n1,"InChI=1S/C9H6N2S3/c10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2",TUBQDCKAWGHZPF-UHFFFAOYSA-N,237.9693,238.9771,236.9615,28480,30692,Chemical info is verified,
StNorman780,"alpha,alpha',alpha''-Trimethyl-1,3,5-triazine-1,3,5(2H,4H,6H)-triethanol",CAS_RN: 25254-50-6,CC(O)CN1CN(CC(C)O)CN(CC(C)O)C1,CC(O)CN1CN(CC(C)O)CN(CC(C)O)C1,"InChI=1S/C12H27N3O3/c1-10(16)4-13-7-14(5-11(2)17)9-15(8-13)6-12(3)18/h10-12,16-18H,4-9H2,1-3H3",QUGSRMKLRLHUHU-UHFFFAOYSA-N,261.2052,262.2131,260.1974,82495,91360,Chemical info is verified,
StNorman781,"2,2'-dithiobis[N-methylbenzamide]",CAS_RN: 2527-58-4,CNC(=O)c1ccccc1SSc2ccccc2C(=O)NC,CNC(=O)c1ccccc1SSc1ccccc1C(=O)NC,"InChI=1S/C16H16N2O2S2/c1-17-15(19)11-7-3-5-9-13(11)21-22-14-10-6-4-8-12(14)16(20)18-2/h3-10H,1-2H3,(H,17,19)(H,18,20)",JEVCLNJEBFWVPD-UHFFFAOYSA-N,332.0653,333.0731,331.0575,68182,75662,Chemical info is verified,
StNorman782,Betadine / Polyvinylpyrrolidone iodine,CAS_RN: 25655-41-8,II.C=CN1CCCC1=O,C=CN1CCCC1=O,"InChI=1S/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2",WHNWPMSKXPGLAX-UHFFFAOYSA-N,111.0684,112.0762,110.0606,362943,6917,Chemical info is not verified,
StNorman783,"1,2-benzisothiazol-3(2H)-one",CAS_RN: 2634-33-5,O=C1NSc2ccccc12,O=c1[nH]sc2ccccc12,"InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)",DMSMPAJRVJJAGA-UHFFFAOYSA-N,151.0092,152.017,150.0014,16567,17520,Chemical info is verified,
StNorman784,Octhilinone / 2-octyl-2H-isothiazol-3-one,CAS_RN: 26530-20-1,CCCCCCCCN1SC=CC1=O,CCCCCCCCn1sccc1=O,"InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3",JPMIIZHYYWMHDT-UHFFFAOYSA-N,213.1187,214.1266,212.1109,30932,33528,Chemical info is verified,
StNorman785,2-methyl-2H-isothiazol-3-one,CAS_RN: 2682-20-4,[H+].[Cl-].CN1SC=CC1=O,Cn1sccc1=O,"InChI=1S/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3",BEGLCMHJXHIJLR-UHFFFAOYSA-N,115.0092,116.017,114.0014,36393,39800,Chemical info is verified,
StNorman786,5-chloro-2-methyl-3(2H)-isothiazolone,CAS_RN: 26172-55-4,[H+].[Cl-].CN1SC(=CC1=O)Cl,Cn1sc(cc1=O)Cl,"InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3",DHNRXBZYEKSXIM-UHFFFAOYSA-N,148.9702,149.978,147.9624,30800,33344,Chemical info is verified,
StNorman787,Dimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chloride,CAS_RN: 27668-52-6,[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC,CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC,"InChI=1S/C26H58NO3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(2,3)25-23-26-31(28-4,29-5)30-6/h7-26H2,1-6H3/q+1",XTAKDLWEWPRLGB-UHFFFAOYSA-N,460.418,461.4259,459.4102,56561,62828,Chemical info is verified,
StNorman788,Troclosene sodium,CAS_RN: 2893-78-9,[Na+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O,Cln1c(=O)[nH]c(=O)n(Cl)c1=O,"InChI=1S/C3HCl2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)",CEJLBZWIKQJOAT-UHFFFAOYSA-N,196.9395,197.9473,195.9317,451165,16726,Chemical info is verified,
StNorman789,"Bromochloro-5,5-dimethylimidazolidine-2,4-dione",CAS_RN: 32718-18-6,ClCC1(CBr)NC(=O)NC1=O,ClCC1(CBr)NC(=O)NC1=O,"InChI=1S/C5H6BrClN2O2/c6-1-5(2-7)3(10)8-4(11)9-5/h1-2H2,(H2,8,9,10,11)",BUUDGFAFKIZPSR-UHFFFAOYSA-N,239.9301,240.9379,238.9223,29069,94439,Chemical info is not verified,
StNorman790,Diuron,CAS_RN: 330-54-1,CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1,CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1,"InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)",XMTQQYYKAHVGBJ-UHFFFAOYSA-N,232.017,233.0248,231.0092,3008,3120,Chemical info is verified,
StNorman791,Peroxyoctanoic acid,CAS_RN: 33734-57-5,O=C(OO)CCCCCCC,O=C(OO)CCCCCCC,"InChI=1S/C8H16O3/c1-2-3-4-5-6-7-8(9)11-10/h10H,2-7H2,1H3",CVXHBROPWMVEQO-UHFFFAOYSA-N,160.1099,161.1178,159.1021,8488712,10313247,Chemical info is verified,
StNorman792,Diclosan / 5-chloro-2-(4-chlorphenoxy)phenol,CAS_RN: 3380-30-1,Oc1cc(Cl)ccc1Oc2ccc(Cl)cc2,Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1,"InChI=1S/C12H8Cl2O2/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7,15H",BYNQFCJOHGOKSS-UHFFFAOYSA-N,253.9901,254.998,252.9823,17759,18807,Chemical info is verified,
StNorman793,"Isoproturon / 3-(4-isopropylphenyl)-1,1-dimethylurea",CAS_RN: 34123-59-6,CC(C)c1ccc(NC(=O)N(C)C)cc1,CC(C)c1ccc(NC(=O)N(C)C)cc1,"InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)",PUIYMUZLKQOUOZ-UHFFFAOYSA-N,206.1419,207.1497,205.1341,33695,36679,Chemical info is verified,
StNorman794,"Imazalil / 1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole",CAS_RN: 35554-44-0,Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1,Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1,"InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2",PZBPKYOVPCNPJY-UHFFFAOYSA-N,296.0483,297.0561,295.0405,34116,37175,Chemical info is verified,
StNorman795,"Azamethiphos / S-[(6-chloro-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O,O-dimethyl thiophosphate",CAS_RN: 35575-96-3,CO[P](=O)(OC)SCN1C(=O)Oc2cc(Cl)cnc12,COP(=O)(OC)SCn1c(=O)oc2cc(Cl)cnc12,"InChI=1S/C9H10ClN2O5PS/c1-15-18(14,16-2)19-5-12-8-7(17-9(12)13)3-6(10)4-11-8/h3-4H,5H2,1-2H3",VNKBTWQZTQIWDV-UHFFFAOYSA-N,323.9737,324.9815,322.9658,64559,71482,Chemical info is verified,
StNorman796,"2-bromo-2-(bromomethyl)pentanedinitrile / 1,2-Dibromo-2,4-dicyanobutane",CAS_RN: 35691-65-7,BrCC(Br)(CCC#N)C#N,BrCC(Br)(CCC#N)C#N,"InChI=1S/C6H6Br2N2/c7-4-6(8,5-10)2-1-3-9/h1-2,4H2",DHVLDKHFGIVEIP-UHFFFAOYSA-N,263.8898,264.8976,262.8819,55806,61948,Chemical info is verified,
StNorman797,(Ethylenedioxy)dimethanol,CAS_RN: 3586-55-8,OCOCCOCO,OCOCCOCO,"InChI=1S/C4H10O4/c5-3-7-1-2-8-4-6/h5-6H,1-4H2",BXGYYDRIMBPOMN-UHFFFAOYSA-N,122.0579,123.0657,121.0501,56287,62511,Chemical info is verified,
StNorman798,"Pyridine-2-thiol 1-oxide, sodium salt",CAS_RN: 3811-73-2,[Na+].[O-]N1C=CC=CC1=S,On1ccccc1=S,"InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,7H",YBBJKCMMCRQZMA-UHFFFAOYSA-N,127.0092,128.017,126.0014,1513,1570,Chemical info is not verified,
StNorman799,Quaternium-15 / Methenamine 3-chloroallylochloride,CAS_RN: 4080-31-3,[Cl-].Cl/C=C/C[N+]12CN3CN(CN(C3)C1)C2,Cl/C=C/C[N+]12CN3CN(CN(C3)C1)C2,"InChI=1S/C9H16ClN4/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14/h1-2H,3-9H2/q+1/b2-1+",LDLCEGCJYSDJLX-OWOJBTEDSA-N,215.1058,216.1136,214.098,4938552,5475987,Chemical info is not verified,
StNorman800,"Citriodiol / Mixture of cis- and trans-p-menthane-3,8 diol",CAS_RN: 42822-86-6,CC1CCC(C(O)C1)C(C)(C)O,CC1CCC(C(O)C1)C(C)(C)O,"InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3",LMXFTMYMHGYJEI-UHFFFAOYSA-N,172.1463,173.1542,171.1385,484204,556998,Chemical info is verified,MIXTURE
StNorman801,Piperonyl butoxide / 2-(2-butoxyethoxy)ethyl 6-propylpiperonyl ether,CAS_RN: 51-03-6,CCCCOCCOCCOCc1cc2OCOc2cc1CCC,CCCCOCCOCCOCc1cc2OCOc2cc1CCC,"InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3",FIPWRIJSWJWJAI-UHFFFAOYSA-N,338.2093,339.2171,337.2015,5590,5794,Chemical info is verified,
StNorman802,"Oxadine A / 4,4-dimethyloxazolidine",CAS_RN: 51200-87-4,CC1(C)COCN1,CC1(C)COCN1,"InChI=1S/C5H11NO/c1-5(2)3-7-4-6-5/h6H,3-4H2,1-2H3",GUQMDNQYMMRJPY-UHFFFAOYSA-N,101.0841,102.0919,100.0762,55857,62010,Chemical info is verified,
StNorman803,"Dowicil 200 / Cis-1-(3-chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride",CAS_RN: 51229-78-8,[Cl-].Cl\C=C/C[N+]12CN3CN(CN(C3)C1)C2,Cl/C=C\C[N+]12CN3CN(CN(C3)C1)C2,"InChI=1S/C9H16ClN4/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14/h1-2H,3-9H2/q+1/b2-1-",LDLCEGCJYSDJLX-UPHRSURJSA-N,215.1058,216.1136,214.098,4938552,5846454,Chemical info is not verified,
StNorman804,Sodium dichloroisocyanurate dihydrate,CAS_RN: 51580-86-0,O.O.[Na+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O,Cln1c(=O)[nH]c(=O)n(Cl)c1=O,"InChI=1S/C3HCl2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)",CEJLBZWIKQJOAT-UHFFFAOYSA-N,196.9395,197.9473,195.9317,17215670,16726,Chemical info is not verified,
StNorman805,Bronopol / Bronosol,CAS_RN: 52-51-7,OCC(Br)(CO)[N+]([O-])=O,OCC(Br)(CO)N(=O)=O,"InChI=1S/C3H6BrNO4/c4-3(1-6,2-7)5(8)9/h6-7H,1-2H2",LVDKZNITIUWNER-UHFFFAOYSA-N,198.948,199.9558,197.9402,2356,2450,Chemical info is verified,
StNorman806,"Fixapret 140 / Tetrahydro-1,3,4,6-tetrakis(hydroxymethyl)imidazo[4,5-d]imidazole-2,5(1H,3H)-dione",CAS_RN: 5395-50-6,OCN1C2C(N(CO)C1=O)N(CO)C(=O)N2CO,OCN1C2C(N(CO)C1=O)N(CO)C(=O)N2CO,"InChI=1S/C8H14N4O6/c13-1-9-5-6(11(3-15)7(9)17)12(4-16)8(18)10(5)2-14/h5-6,13-16H,1-4H2",UUGLSEIATNSHRI-UHFFFAOYSA-N,262.0913,263.0992,261.0835,71691,79372,Chemical info is verified,
StNorman807,Tetrakis(hydroxymethyl)phosphonium sulphate(2:1),CAS_RN: 55566-30-8,OC[P+](CO)(CO)CO.OC[P+](CO)(CO)CO.[O-][S]([O-])(=O)=O,OC[P+](CO)(CO)CO,"InChI=1S/C4H12O4P/c5-1-9(2-6,3-7)4-8/h5-8H,1-4H2/q+1",FAUOSXUSCVJWAY-UHFFFAOYSA-N,155.0468,156.0546,154.0389,29038,10544,Chemical info is verified,
StNorman808,Kathon 886 / Mixture of 5-chloro-2-methyl-2H-isothiazol-3-one (EINECS 247-500-7) and 2-methyl-2H-isothiazol-3-one (EINECS 220-239-6),CAS_RN: 55965-84-9,CN1SC=CC1=O.CN2SC(=CC2=O)Cl,Cn1sccc1=O,"InChI=1S/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3",BEGLCMHJXHIJLR-UHFFFAOYSA-N,115.0092,116.017,114.0014,38033,39800,Chemical info is not verified,MIXTURE
StNorman809,"N,N'-methylenebismorpholine / 4,4-methylenedimorpholine",CAS_RN: 5625-90-1,C1CN(CCO1)CN2CCOCC2,C1CN(CCO1)CN1CCOCC1,InChI=1S/C9H18N2O2/c1-5-12-6-2-10(1)9-11-3-7-13-8-4-11/h1-9H2,MIFZZKZNMWTHJK-UHFFFAOYSA-N,186.1368,187.1447,185.129,20526,21839,Chemical info is verified,
StNorman810,Chlorocresol,CAS_RN: 59-50-7,Cc1cc(O)ccc1Cl,Cc1cc(O)ccc1Cl,"InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3",CFKMVGJGLGKFKI-UHFFFAOYSA-N,142.0185,143.0264,141.0107,21106018,1732,Chemical info is verified,
StNorman811,Methylene dithiocyanate,CAS_RN: 6317-18-6,N#CSCSC#N,N#CSCSC#N,InChI=1S/C3H2N2S2/c4-1-6-3-7-2-5/h3H2,JWZXKXIUSSIAMR-UHFFFAOYSA-N,129.9659,130.9738,128.9581,21349,22772,Chemical info is verified,
StNorman812,"DMDM Hydantoin / 1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione",CAS_RN: 6440-58-0,CC1(C)N(CO)C(=O)N(CO)C1=O,CC1(C)N(CO)C(=O)N(CO)C1=O,"InChI=1S/C7H12N2O4/c1-7(2)5(12)8(3-10)6(13)9(7)4-11/h10-11H,3-4H2,1-2H3",WSDISUOETYTPRL-UHFFFAOYSA-N,188.0797,189.0875,187.0719,21482,22947,Chemical info is verified,
StNorman813,Abamectin / Avermectin B1A,CAS_RN: 65195-55-3,CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(C)/[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C/6CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2)C=C[C@@H]1C,CCC(C)C1OC2(CC3CC(C/C=C(/C)\C(OC4CC(OC)C(OC5CC(OC)C(O)C(C)O5)C(C)O4)C(C)/C=C\C=C/4\COC5C(O)C(=CC(C(=O)O3)C45O)C)O2)C=CC1C,"InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12-,27-15-,32-14-",RRZXIRBKKLTSOM-JHJAMYNOSA-N,872.4922,873.5,871.4844,8095964,NA,Chemical info is not verified,
StNorman814,Benzoic acid,CAS_RN: 65-85-0,OC(=O)c1ccccc1,OC(=O)c1ccccc1,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",WPYMKLBDIGXBTP-UHFFFAOYSA-N,122.0368,123.0446,121.029,238,NA,Chemical info is not verified,
StNorman815,"Oxazolidin / 3,3'-methylenebis[5-methyloxazolidine]",CAS_RN: 66204-44-2,CC1CN(CO1)CN2COC(C)C2,CC1CN(CO1)CN1COC(C)C1,"InChI=1S/C9H18N2O2/c1-8-3-10(6-12-8)5-11-4-9(2)13-7-11/h8-9H,3-7H2,1-2H3",BNKGKERDFRIJPU-UHFFFAOYSA-N,186.1368,187.1447,185.129,8572,128328,Chemical info is not verified,
StNorman816,"Cyromazine / N-cyclopropyl-1,3,5-triazine-2,4,6-triamine",CAS_RN: 66215-27-8,Nc1nc(N)nc(NC2CC2)n1,Nc1nc(N)nc(NC2CC2)n1,"InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)",LVQDKIWDGQRHTE-UHFFFAOYSA-N,166.0967,167.1045,165.0889,43550,47866,Chemical info is verified,
StNorman817,Esfenvalerate / (S)-.alpha.-Cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)-3-methylbutyrate,CAS_RN: 66230-04-4,CC(C)[C@@H](C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1)c3ccc(Cl)cc3,CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1,"InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3",NYPJDWWKZLNGGM-UHFFFAOYSA-N,419.1288,420.1366,418.121,8517510,3347,Chemical info is verified,
StNorman818,"alpha-Cypermethrin / [1.alpha.(S*),3.alpha.]-(.alpha.)-cyano-(3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2.2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate",CAS_RN: 67375-30-8,CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2,CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1,"InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3",KAATUXNTWXVJKI-UHFFFAOYSA-N,415.0742,416.082,414.0664,11677233,2912,Chemical info is not verified,
StNorman819,Propan-2-ol,CAS_RN: 67-63-0,CC(C)O,CC(C)O,"InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3",KFZMGEQAYNKOFK-UHFFFAOYSA-N,60.0575,61.0653,59.0497,3644,3776,Chemical info is verified,
StNorman820,"Quaternary ammonium compounds, benzyl-C12-18-alkyldimethyl, chlorides",CAS_RN: 68391-01-5,[Cl-].CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,"InChI=1S/C23H42N/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23/h15-17,19-20H,4-14,18,21-22H2,1-3H3/q+1",WNBGYVXHFTYOBY-UHFFFAOYSA-N,332.3312,333.339,331.3234,8425,8756,Chemical info is verified,MIXTURE
StNorman821,"Quaternary ammonium compounds, di-C8-10-alkyldimethyl, chlorides",CAS_RN: 68424-95-3,NA,NA,NA,NA,NA,NA,NA,NA,NA,Chemical info is not verified,MIXTURE: https://comptox.epa.gov/dashboard/dsstoxdb/results?utf8=%E2%9C%93&search=68424-95-3
StNorman822,"Quaternary ammonium compounds, benzyl-C12-18-alkyldimethyl salts, with 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1:1)",CAS_RN: 68989-01-5,CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[O-][S]2(=NC(=O)c3ccccc23)=O,CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,"InChI=1S/C23H42N/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23/h15-17,19-20H,4-14,18,21-22H2,1-3H3/q+1",WNBGYVXHFTYOBY-UHFFFAOYSA-N,332.3312,333.339,331.3234,45600,8756,Chemical info is not verified,MIXTURE
StNorman823,"Amines, C10-16-alkyldimethyl, N-oxides",CAS_RN: 70592-80-2,CCCCCCCCCCCCC[N+](C)(C)[O-],CCCCCCCCCCCCCN(=O)(C)C,"InChI=1S/C15H33NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2,3)17/h4-15H2,1-3H3",VHXSGTCOHZCUKB-UHFFFAOYSA-N,243.2562,244.264,242.2484,34100,37159,Chemical info is not verified,MIXTURE
StNorman824,Propan-1-ol,CAS_RN: 71-23-8,CCCO,CCCO,"InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",BDERNNFJNOPAEC-UHFFFAOYSA-N,60.0575,61.0653,59.0497,1004,1031,Chemical info is verified,
StNorman825,"(±)-1-(.beta.-allyloxy-2,4-dichlorophenylethyl)imidazole / Technical grade Imazalil / Enilconazole",CAS_RN: 73790-28-0,C=CCOC(Cn1ccnc1)c2ccc(cc2Cl)Cl,C=CCOC(Cn1ccnc1)c1ccc(cc1Cl)Cl,"InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2",PZBPKYOVPCNPJY-UHFFFAOYSA-N,296.0483,297.0561,295.0405,34116,37175,Chemical info is not verified,
StNorman826,"7a-ethyldihydro-1H,3H,5H-oxazolo[3,4-c]oxazole",CAS_RN: 7747-35-5,CCC12COCN1COC2,CCC12COCN1COC2,"InChI=1S/C7H13NO2/c1-2-7-3-9-5-8(7)6-10-4-7/h2-6H2,1H3",ZRCMGIXRGFOXNT-UHFFFAOYSA-N,143.0946,144.1025,142.0868,74172,82190,Chemical info is verified,
StNorman827,"Quaternary ammonium compounds, benzyl-C12-14-alkyldimethyl, chlorides",CAS_RN: 85409-22-9,[Cl-].CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,"InChI=1S/C23H42N/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23/h15-17,19-20H,4-14,18,21-22H2,1-3H3/q+1",WNBGYVXHFTYOBY-UHFFFAOYSA-N,332.3312,333.339,331.3234,8425,8756,Chemical info is not verified,MIXTURE
StNorman828,"Quaternary ammonium compounds, C12-14-alkyl[(ethylphenyl)methyl]dimethyl, chlorides",CAS_RN: 85409-23-0,CCCCCCCCCCCC[N+](C)(C)Cc1ccc(cc1)CC.[Cl-],CCCCCCCCCCCC[N+](C)(C)Cc1ccc(cc1)CC,"InChI=1S/C23H42N/c1-5-7-8-9-10-11-12-13-14-15-20-24(3,4)21-23-18-16-22(6-2)17-19-23/h16-19H,5-15,20-21H2,1-4H3/q+1",KXLOQZDPPMUHLF-UHFFFAOYSA-N,332.3312,333.339,331.3234,31265,33918,Chemical info is not verified,MIXTURE
StNorman829,Symclosene / Trichlorocyanuric acid,CAS_RN: 87-90-1,ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O,Cln1c(=O)n(Cl)c(=O)n(Cl)c1=O,InChI=1S/C3Cl3N3O3/c4-7-1(10)8(5)3(12)9(6)2(7)11,YRIZYWQGELRKNT-UHFFFAOYSA-N,230.9005,231.9083,229.8927,6643,6909,Chemical info is verified,
StNorman830,"1,3-dichloro-5-ethyl-5-methylimidazolidine-2,4-dione",CAS_RN: 89415-87-2,CCC1(C)N(Cl)C(=O)N(Cl)C1=O,CCC1(C)N(Cl)C(=O)N(Cl)C1=O,"InChI=1S/C6H8Cl2N2O2/c1-3-6(2)4(11)9(7)5(12)10(6)8/h3H2,1-2H3",OFTZZDZZNXTWFO-UHFFFAOYSA-N,209.9963,211.0041,208.9885,56095,62299,Chemical info is verified,
StNorman831,Poly(hexamethylenebiguanide),CAS_RN: 91403-50-8,NA,NA,NA,NA,NA,NA,NA,NA,NA,Chemical info is not verified,MIXTURE: https://comptox.epa.gov/dashboard/dsstoxdb/results?utf8=%E2%9C%93&search=91403-50-8
StNorman832,Pyriproxyfen / 2-(1-methyl-2-(4-phenoxy-phenoxy)-ethoxy)-pyridine,CAS_RN: 95737-68-1,CC(COc1ccc(Oc2ccccc2)cc1)Oc3ccccn3,CC(COc1ccc(Oc2ccccc2)cc1)Oc1ccccn1,"InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3",NHDHVHZZCFYRSB-UHFFFAOYSA-N,321.1365,322.1443,320.1287,82851,91753,Chemical info is verified,
StNorman833,Dibromostyrene,CAS_RN: 31780-26-4,BrC(Br)=Cc1ccccc1,BrC(=Cc1ccccc1)Br,InChI=1S/C8H6Br2/c9-8(10)6-7-4-2-1-3-5-7/h1-6H,CYLVUSZHVURAOY-UHFFFAOYSA-N,259.8836,260.8915,258.8758,142042,161726,Chemical info is verified,
StNorman834,"2,4,6-Tribromophenyl allyl ether",CAS_RN: 3278-89-5,Brc1cc(Br)c(OCC=C)c(Br)c1,Brc1cc(Br)c(OCC=C)c(Br)c1,"InChI=1S/C9H7Br3O/c1-2-3-13-9-7(11)4-6(10)5-8(9)12/h2,4-5H,1,3H2",RZLLIOPGUFOWOD-UHFFFAOYSA-N,367.8047,368.8125,366.7969,69223,76767,Chemical info is verified,
StNorman835,"1,2,4,5-Tetrabromo-3,6-dimethylbenzene",CAS_RN: 23488-38-2,Cc1c(Br)c(Br)c(C)c(Br)c1Br,Cc1c(Br)c(Br)c(C)c(Br)c1Br,InChI=1S/C8H6Br4/c1-3-5(9)7(11)4(2)8(12)6(3)10/h1-2H3,RXKOKVQKECXYOT-UHFFFAOYSA-N,417.7203,418.7281,416.7125,29631,31952,Chemical info is verified,
StNorman836,"2,3,4,5-Tetrabromo-6-chlorotoluene",CAS_RN: 39569-21-6,Cc1c(Cl)c(Br)c(Br)c(Br)c1Br,Cc1c(Cl)c(Br)c(Br)c(Br)c1Br,InChI=1S/C7H3Br4Cl/c1-2-3(8)4(9)5(10)6(11)7(2)12/h1H3,WMXWTOJJASZOCL-UHFFFAOYSA-N,437.6657,438.6735,436.6579,35098,38294,Chemical info is verified,
StNorman837,"3,4,5,6-Tetrabromophthalic anhydride",CAS_RN: 632-79-1,Brc1c(Br)c(Br)c2C(=O)OC(=O)c2c1Br,Brc1c(Br)c(Br)c2C(=O)OC(=O)c2c1Br,InChI=1S/C8Br4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11,QHWKHLYUUZGSCW-UHFFFAOYSA-N,459.6581,460.6659,458.6503,11936,12443,Chemical info is verified,
StNorman838,Pentabromotoluene,CAS_RN: 87-83-2,Cc1c(Br)c(Br)c(Br)c(Br)c1Br,Cc1c(Br)c(Br)c(Br)c(Br)c1Br,InChI=1S/C7H3Br5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3,OZHJEQVYCBTHJT-UHFFFAOYSA-N,481.6152,482.623,480.6073,6640,6906,Chemical info is verified,
StNorman839,Pentabromophenol,CAS_RN: 608-71-9,Oc1c(Br)c(Br)c(Br)c(Br)c1Br,Oc1c(Br)c(Br)c(Br)c(Br)c1Br,InChI=1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H,SVHOVVJFOWGYJO-UHFFFAOYSA-N,483.5944,484.6023,482.5866,11359,11852,Chemical info is verified,
StNorman840,Pentabromoethylbenzene,CAS_RN: 85-22-3,CCc1c(Br)c(Br)c(Br)c(Br)c1Br,CCc1c(Br)c(Br)c(Br)c(Br)c1Br,"InChI=1S/C8H5Br5/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h2H2,1H3",FIAXCDIQXHJNIX-UHFFFAOYSA-N,495.6308,496.6386,494.623,6542,6800,Chemical info is verified,
StNorman841,Pentabromobenzyl chloride,CAS_RN: 58495-09-3,C(c1c(c(c(c(c1Br)Br)Br)Br)Br)Cl,C(c1c(c(c(c(c1Br)Br)Br)Br)Br)Cl,InChI=1S/C7H2Br5Cl/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h1H2,UJJSQULCWJOFRO-UHFFFAOYSA-N,515.5762,516.584,514.5684,32678351,57838204,Chemical info is not verified,
StNorman842,Pentabromophenol allyl ether,CAS_RN: 3555-11-1,Brc1c(Br)c(Br)c(OCC=C)c(Br)c1Br,Brc1c(Br)c(Br)c(OCC=C)c(Br)c1Br,"InChI=1S/C9H5Br5O/c1-2-3-15-9-7(13)5(11)4(10)6(12)8(9)14/h2H,1,3H2",VCNJVIWFSMCZPE-UHFFFAOYSA-N,523.6257,524.6336,522.6179,18017,19084,Chemical info is verified,
StNorman843,"1,3,5-Tribromo-2-(2,3-dibromopropoxy)benzene",CAS_RN: 35109-60-5,BrCC(Br)COc1c(Br)cc(Br)cc1Br,BrCC(Br)COc1c(Br)cc(Br)cc1Br,"InChI=1S/C9H7Br5O/c10-3-6(12)4-15-9-7(13)1-5(11)2-8(9)14/h1-2,6H,3-4H2",QXWYPAKUEHGJSG-UHFFFAOYSA-N,525.6414,526.6492,524.6336,105648,118216,Chemical info is verified,
StNorman844,"2-Ethylhexyl 2,3,4,5-tetrabromobenzoate",CAS_RN: 183658-27-7,CCCCC(CC)COC(=O)c1cc(c(c(c1Br)Br)Br)Br,CCCCC(CC)COC(=O)c1cc(c(c(c1Br)Br)Br)Br,"InChI=1S/C15H18Br4O2/c1-3-5-6-9(4-2)8-21-15(20)10-7-11(16)13(18)14(19)12(10)17/h7,9H,3-6,8H2,1-2H3",HVDXCGSGEQKWGB-UHFFFAOYSA-N,545.804,546.8119,544.7962,28419925,71316600,Chemical info is verified,
StNorman845,Hexabromobenzene,CAS_RN: 87-82-1,Brc1c(Br)c(Br)c(Br)c(Br)c1Br,Brc1c(Br)c(Br)c(Br)c(Br)c1Br,InChI=1S/C6Br6/c7-1-2(8)4(10)6(12)5(11)3(1)9,CAYGQBVSOZLICD-UHFFFAOYSA-N,545.51,546.5179,544.5022,6639,6905,Chemical info is verified,
StNorman846,"2,3,4,5,6-Pentabromobenzyl acrylate",CAS_RN: 59447-55-1,Brc1c(Br)c(Br)c(COC(=O)C=C)c(Br)c1Br,Brc1c(Br)c(Br)c(COC(=O)C=C)c(Br)c1Br,"InChI=1S/C10H5Br5O2/c1-2-5(16)17-3-4-6(11)8(13)10(15)9(14)7(4)12/h2H,1,3H2",GRKDVZMVHOLESV-UHFFFAOYSA-N,551.6206,552.6285,550.6128,84638,101059,Chemical info is not verified,
StNorman847,"2,3,4,5,6-Pentabromobenzyl bromide",CAS_RN: 38521-51-6,BrCc1c(Br)c(Br)c(Br)c(Br)c1Br,BrCc1c(Br)c(Br)c(Br)c(Br)c1Br,InChI=1S/C7H2Br6/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h1H2,PYOIYKRKAHYOKO-UHFFFAOYSA-N,559.5257,560.5335,558.5179,2284017,3015989,Chemical info is verified,
StNorman848,"2-(2-Hydroxyethoxy)ethyl 2-hydroxypropyl 3,4,5,6-tetrabromophthalate",CAS_RN: 20566-35-2,CC(O)COC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCCOCCO,CC(O)COC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCCOCCO,"InChI=1S/C15H16Br4O7/c1-7(21)6-26-15(23)9-8(10(16)12(18)13(19)11(9)17)14(22)25-5-4-24-3-2-20/h7,20-21H,2-6H2,1H3",OQHHASWHOGRCRC-UHFFFAOYSA-N,623.763,624.7708,622.7551,80635,89352,Chemical info is verified,
StNorman849,Bis(2-ethylhexyl) tetrabromophthalate,CAS_RN: 26040-51-7,CCCCC(CC)COC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC,"InChI=1S/C24H34Br4O4/c1-5-9-11-15(7-3)13-31-23(29)17-18(20(26)22(28)21(27)19(17)25)24(30)32-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3",UUEDINPOVKWVAZ-UHFFFAOYSA-N,701.9191,702.9269,700.9112,104816,117291,Chemical info is verified,
StNorman850,"3-(Tetrabromopentadecyl)-2,4,6-tribromophenol",CAS_RN: 168434-45-5,NA,NA,NA,NA,NA,NA,NA,NA,NA,Chemical info is not verified,Location of tetrabromo not defined: http://www.sciencedirect.com/science/article/pii/S0160412012001778
StNorman851,Tetrabromobisphenol S,CAS_RN: 39635-79-5,Oc1c(Br)cc(cc1Br)[S](=O)(=O)c2cc(Br)c(O)c(Br)c2,Oc1c(Br)cc(cc1Br)S(=O)(=O)c1cc(Br)c(O)c(Br)c1,"InChI=1S/C12H6Br4O4S/c13-7-1-5(2-8(14)11(7)17)21(19,20)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H",JHJUYGMZIWDHMO-UHFFFAOYSA-N,561.672,562.6799,560.6642,148846,170231,Chemical info is verified,
StNorman852,Tetrabromobisphenol B,CAS_RN: 37853-61-5,COc1c(Br)cc(cc1Br)C(C)(C)c2cc(Br)c(OC)c(Br)c2,COc1c(Br)cc(cc1Br)C(C)(C)c1cc(Br)c(OC)c(Br)c1,"InChI=1S/C17H16Br4O2/c1-17(2,9-5-11(18)15(22-3)12(19)6-9)10-7-13(20)16(23-4)14(21)8-10/h5-8H,1-4H3",XRQKNNNAKHZPSP-UHFFFAOYSA-N,567.7884,568.7962,566.7806,34698,37841,Chemical info is verified,
StNorman853,Tetrabromobisphenol S bismethyl ether,CAS_RN: 70156-79-5,COc1c(cc(cc1Br)S(=O)(=O)c2cc(c(c(c2)Br)OC)Br)Br,COc1c(cc(cc1Br)S(=O)(=O)c1cc(c(c(c1)Br)OC)Br)Br,"InChI=1S/C14H10Br4O4S/c1-21-13-9(15)3-7(4-10(13)16)23(19,20)8-5-11(17)14(22-2)12(18)6-8/h3-6H,1-2H3",MVCCPHIOCLZPGZ-UHFFFAOYSA-N,589.7033,590.7112,588.6955,1721652,2302732,Chemical info is not verified,
StNorman854,"3,3?,5,5?-Tetrabromobisphenol A bisacetate",CAS_RN: 33798-02-6,CC(=O)Oc1c(Br)cc(cc1Br)C(C)(C)c2cc(Br)c(OC(C)=O)c(Br)c2,CC(=O)Oc1c(Br)cc(cc1Br)C(C)(C)c1cc(Br)c(OC(=O)C)c(Br)c1,"InChI=1S/C19H16Br4O4/c1-9(24)26-17-13(20)5-11(6-14(17)21)19(3,4)12-7-15(22)18(16(23)8-12)27-10(2)25/h5-8H,1-4H3",ZUBOJXBQSZDOID-UHFFFAOYSA-N,623.7782,624.786,622.7704,105953,118551,Chemical info is verified,
StNorman855,Tetrabromobisphenol A bis(2-hydroxyethyl) ether,CAS_RN: 4162-45-2,CC(C)(c1cc(Br)c(OCCO)c(Br)c1)c2cc(Br)c(OCCO)c(Br)c2,CC(C)(c1cc(Br)c(OCCO)c(Br)c1)c1cc(Br)c(OCCO)c(Br)c1,"InChI=1S/C19H20Br4O4/c1-19(2,11-7-13(20)17(14(21)8-11)26-5-3-24)12-9-15(22)18(16(23)10-12)27-6-4-25/h7-10,24-25H,3-6H2,1-2H3",RVHUMFJSCJBNGS-UHFFFAOYSA-N,627.8095,628.8173,626.8017,18949,20113,Chemical info is verified,
StNorman856,Tetrabromobisphenol A bis(allyl) ether,CAS_RN: 25327-89-3,CC(C)(c1cc(Br)c(OCC=C)c(Br)c1)c2cc(Br)c(OCC=C)c(Br)c2,CC(C)(c1cc(Br)c(OCC=C)c(Br)c1)c1cc(Br)c(OCC=C)c(Br)c1,"InChI=1S/C21H20Br4O2/c1-5-7-26-19-15(22)9-13(10-16(19)23)21(3,4)14-11-17(24)20(18(25)12-14)27-8-6-2/h5-6,9-12H,1-2,7-8H2,3-4H3",PWXTUWQHMIFLKL-UHFFFAOYSA-N,619.8197,620.8275,618.8119,55823,61972,Chemical info is verified,
StNorman857,Tetrabromobisphenol A bisacrylate,CAS_RN: 55205-38-4,CC(C)(c1cc(Br)c(OC(=O)C=C)c(Br)c1)c2cc(Br)c(OC(=O)C=C)c(Br)c2,CC(C)(c1cc(Br)c(OC(=O)C=C)c(Br)c1)c1cc(Br)c(OC(=O)C=C)c(Br)c1,"InChI=1S/C21H16Br4O4/c1-5-17(26)28-19-13(22)7-11(8-14(19)23)21(3,4)12-9-15(24)20(16(25)10-12)29-18(27)6-2/h5-10H,1-2H2,3-4H3",VSVDQVJQWXJJSS-UHFFFAOYSA-N,647.7782,648.786,646.7704,55930,62093,Chemical info is verified,
StNorman858,Tetrabromobisphenol A bis(glycidyl) ether,CAS_RN: 3072-84-2,CC(C)(c1cc(Br)c(OCC2CO2)c(Br)c1)c3cc(Br)c(OCC4CO4)c(Br)c3,CC(C)(c1cc(Br)c(OCC2CO2)c(Br)c1)c1cc(Br)c(OCC2CO2)c(Br)c1,"InChI=1S/C21H20Br4O4/c1-21(2,11-3-15(22)19(16(23)4-11)28-9-13-7-26-13)12-5-17(24)20(18(25)6-12)29-10-14-8-27-14/h3-6,13-14H,7-10H2,1-2H3",ZJRAAAWYHORFHN-UHFFFAOYSA-N,651.8095,652.8173,650.8017,56055,62250,Chemical info is verified,
StNorman859,Tebrabromobisphenol A bispropanoate,CAS_RN: 37419-42-4,NA,NA,NA,NA,NA,NA,NA,NA,NA,Chemical info is not verified,
StNorman860,"1,2-Bis(2,4,6-tribromophenoxy)ethane",CAS_RN: 37853-59-1,Brc1cc(Br)c(OCCOc2c(Br)cc(Br)cc2Br)c(Br)c1,Brc1cc(Br)c(OCCOc2c(Br)cc(Br)cc2Br)c(Br)c1,"InChI=1S/C14H8Br6O2/c15-7-3-9(17)13(10(18)4-7)21-1-2-22-14-11(19)5-8(16)6-12(14)20/h3-6H,1-2H2",YATIGPZCMOYEGE-UHFFFAOYSA-N,681.5625,682.5703,680.5546,34697,37840,Chemical info is verified,
StNorman861,Tetrabromobisphenol A bis(2-hydroxyethyl)ether,CAS_RN: 66710-97-2,CC(C)(c1cc(Br)c(OCCOC(=O)C=C)c(Br)c1)c2cc(Br)c(OCCOC(=O)C=C)c(Br)c2,CC(C)(c1cc(Br)c(OCCOC(=O)C=C)c(Br)c1)c1cc(Br)c(OCCOC(=O)C=C)c(Br)c1,"InChI=1S/C25H24Br4O6/c1-5-21(30)32-7-9-34-23-17(26)11-15(12-18(23)27)25(3,4)16-13-19(28)24(20(29)14-16)35-10-8-33-22(31)6-2/h5-6,11-14H,1-2,7-10H2,3-4H3",OOGPFCFGQOSOOZ-UHFFFAOYSA-N,735.8306,736.8385,734.8228,95043,105380,Chemical info is not verified,
StNorman862,Octabromotrimethylphenyl indane,CAS_RN: 1084889-51-9; 1025956-65-3; 893843-07-7,CC1(C)CC(C)(C2=C1C(Br)=C(Br)C(Br)=C2Br)C1=CC(Br)=C(Br)C(Br)=C1Br,CC1(C)CC(C)(c2c1c(Br)c(Br)c(Br)c2Br)c1cc(Br)c(Br)c(Br)c1Br,"InChI=1S/C18H12Br8/c1-17(2)5-18(3,6-4-7(19)11(21)14(24)10(6)20)9-8(17)12(22)15(25)16(26)13(9)23/h4H,5H2,1-3H3",MVUXOUVWNWWKOU-UHFFFAOYSA-N,859.4406,860.4484,858.4328,NA,NA,Chemical info is not verified,
StNorman863,"N,N?-Ethylenebis(tetrabromophthalimide)",CAS_RN: 32588-76-4,Brc1c(Br)c(Br)c2C(=O)N(CCN3C(=O)c4c(Br)c(Br)c(Br)c(Br)c4C3=O)C(=O)c2c1Br,Brc1c(Br)c(Br)c2C(=O)N(CCN3C(=O)c4c(Br)c(Br)c(Br)c(Br)c4C3=O)C(=O)c2c1Br,InChI=1S/C18H4Br8N2O4/c19-7-3-4(8(20)12(24)11(7)23)16(30)27(15(3)29)1-2-28-17(31)5-6(18(28)32)10(22)14(26)13(25)9(5)21/h1-2H2,DYIZJUDNMOIZQO-UHFFFAOYSA-N,943.3638,944.3716,942.356,33278,36183,Chemical info is verified,
StNorman864,"Tetrabromobisphenol S bis(2,3-dibromopropyl ether)",CAS_RN: 42757-55-1,BrCC(Br)COc1c(Br)cc(cc1Br)[S](=O)(=O)c2cc(Br)c(OCC(Br)CBr)c(Br)c2,BrCC(Br)COc1c(Br)cc(cc1Br)S(=O)(=O)c1cc(Br)c(OCC(Br)CBr)c(Br)c1,"InChI=1S/C18H14Br8O4S/c19-5-9(21)7-29-17-13(23)1-11(2-14(17)24)31(27,28)12-3-15(25)18(16(26)4-12)30-8-10(22)6-20/h1-4,9-10H,5-8H2",CWZVMVIHYSYLSI-UHFFFAOYSA-N,957.408,958.4158,956.4002,2284331,3016379,Chemical info is verified,
StNorman865,Decabromodibenzyl ether,CAS_RN: 497107-13-8,C(c1c(c(c(c(c1Br)Br)Br)Br)Br)OCc2c(c(c(c(c2Br)Br)Br)Br)Br,C(c1c(c(c(c(c1Br)Br)Br)Br)Br)OCc1c(c(c(c(c1Br)Br)Br)Br)Br,InChI=1S/C14H4Br10O/c15-5-3(6(16)10(20)13(23)9(5)19)1-25-2-4-7(17)11(21)14(24)12(22)8(4)18/h1-2H2,GYYJNXRFVBJOEW-UHFFFAOYSA-N,977.2096,978.2174,976.2018,28592497,15525539,Chemical info is not verified,
StNorman866,"Tetradecabromo-1,4-diphenoxybenzene",CAS_RN: 58965-66-5,Brc1c(Br)c(Br)c(Oc2c(Br)c(Br)c(Oc3c(Br)c(Br)c(Br)c(Br)c3Br)c(Br)c2Br)c(Br)c1Br,Brc1c(Br)c(Br)c(Oc2c(Br)c(Br)c(Oc3c(Br)c(Br)c(Br)c(Br)c3Br)c(Br)c2Br)c(Br)c1Br,InChI=1S/C18Br14O2/c19-1-3(21)7(25)15(8(26)4(1)22)33-17-11(29)13(31)18(14(32)12(17)30)34-16-9(27)5(23)2(20)6(24)10(16)28,YMIUHIAWWDYGGU-UHFFFAOYSA-N,1352.8466,1353.8544,1351.8387,91170,100907,Chemical info is verified,
StNorman867,"1,2,3,4,7,7-hexachloro-5-(2,3,4,5-tetrabromophenyl)-Bicyclo[2.2.1]hept-2-ene",CAS_RN: 34571-16-9,ClC1=C(Cl)C2(Cl)C(CC1(Cl)C2(Cl)Cl)c3cc(Br)c(Br)c(Br)c3Br,ClC1=C(Cl)C2(Cl)C(CC1(Cl)C2(Cl)Cl)c1cc(Br)c(Br)c(Br)c1Br,"InChI=1S/C13H4Br4Cl6/c14-5-1-3(6(15)8(17)7(5)16)4-2-11(20)9(18)10(19)12(4,21)13(11,22)23/h1,4H,2H2",PHYHWKJTYWPNCS-UHFFFAOYSA-N,685.5178,686.5256,684.5099,105610,118174,Chemical info is not verified,
StNorman868,"4-(1,2-Dibromoethyl)-1,2-dibromocyclohexane",CAS_RN: 3322-93-8,BrCC(Br)C1CCC(Br)C(Br)C1,BrCC(Br)C1CCC(Br)C(Br)C1,"InChI=1S/C8H12Br4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h5-8H,1-4H2",PQRRSJBLKOPVJV-UHFFFAOYSA-N,423.7673,424.7751,422.7594,17684,18728,Chemical info is verified,
StNorman869,"1,2,5,6-Tetrabromocyclooctane",CAS_RN: 3194-57-8,BrC1CCC(Br)C(Br)CCC1Br,BrC1CCC(Br)C(Br)CCC1Br,"InChI=1S/C8H12Br4/c9-5-1-2-6(10)8(12)4-3-7(5)11/h5-8H,1-4H2",RZLXIANUDLLFHN-UHFFFAOYSA-N,423.7673,424.7751,422.7594,261841,296646,Chemical info is verified,
StNorman870,"5,6-Dibromo-1,10,11,12,13,13-hexachloro-11-tricyclo[8.2.1.0]tridecene",CAS_RN: 51936-55-1,ClC1=C(Cl)C2(Cl)C3CCC(Br)C(Br)CCC3C1(Cl)C2(Cl)Cl,ClC1=C(Cl)C2(Cl)C3CCC(Br)C(Br)CCC3C1(Cl)C2(Cl)Cl,"InChI=1S/C13H12Br2Cl6/c14-7-3-1-5-6(2-4-8(7)15)12(19)10(17)9(16)11(5,18)13(12,20)21/h5-8H,1-4H2",XRFONNJUMOCNHA-UHFFFAOYSA-N,535.7437,536.7515,534.7359,84200,93266,Chemical info is verified,
StNorman871,Hexabromocyclodecane,CAS_RN: 25495-98-1,BrC1(Br)CCCCCCCC(Br)(Br)C1(Br)Br,BrC1(Br)CCCCCCCC(Br)(Br)C1(Br)Br,"InChI=1S/C10H14Br6/c11-8(12)6-4-2-1-3-5-7-9(13,14)10(8,15)16/h1-7H2",GRPTWLLWXYXFLX-UHFFFAOYSA-N,607.6196,608.6274,606.6118,147282,168375,Chemical info is verified,
StNorman872,"1-(2,3-Dibromopropyl)-3,5-diallyl-1,3,5-Triazine-2,4,6(1H,3H,5H)-trione",CAS_RN: 57829-89-7,NA,NA,NA,NA,NA,NA,NA,NA,NA,Chemical info is not verified,
StNorman873,"1,3-Bis(2,3-dibromopropyl)-5-allyl-1,3,5-Triazine-2,4,6(1H,3H,5H)-trione",CAS_RN: 75795-16-3,NA,NA,NA,NA,NA,NA,NA,NA,NA,Chemical info is not verified,
StNorman874,"1,3,5-tris(2,3-dibromopropyl)-1,3,5-triazinane-2,4,6-trione",CAS_RN: 52434-90-9,BrCC(Br)CN1C(=O)N(CC(Br)CBr)C(=O)N(CC(Br)CBr)C1=O,BrCC(Br)Cn1c(=O)n(CC(Br)CBr)c(=O)n(CC(Br)CBr)c1=O,"InChI=1S/C12H15Br6N3O3/c13-1-7(16)4-19-10(22)20(5-8(17)2-14)12(24)21(11(19)23)6-9(18)3-15/h7-9H,1-6H2",NZUPFZNVGSWLQC-UHFFFAOYSA-N,722.6214,723.6292,721.6135,93567,103634,Chemical info is verified,
StNorman875,"2,4,6-Tris(2,4,6-tribromophenoxy)-1,3,5-triazine",CAS_RN: 25713-60-4,c1c(cc(c(c1Br)Oc2nc(nc(n2)Oc3c(cc(cc3Br)Br)Br)Oc4c(cc(cc4Br)Br)Br)Br)Br,c1c(cc(c(c1Br)Oc1nc(nc(n1)Oc1c(cc(cc1Br)Br)Br)Oc1c(cc(cc1Br)Br)Br)Br)Br,InChI=1S/C21H6Br9N3O3/c22-7-1-10(25)16(11(26)2-7)34-19-31-20(35-17-12(27)3-8(23)4-13(17)28)33-21(32-19)36-18-14(29)5-9(24)6-15(18)30/h1-6H,BDFBPPCACYFGFA-UHFFFAOYSA-N,1058.306,1059.3138,1057.2981,82916,91820,Chemical info is verified,
StNorman876,Tris(tribromoneopentyl) phosphate,CAS_RN: 19186-97-1,BrCC(CBr)(CBr)CO[P](=O)(OCC(CBr)(CBr)CBr)OCC(CBr)(CBr)CBr,BrCC(CBr)(CBr)COP(=O)(OCC(CBr)(CBr)CBr)OCC(CBr)(CBr)CBr,"InChI=1S/C15H24Br9O4P/c16-1-13(2-17,3-18)10-26-29(25,27-11-14(4-19,5-20)6-21)28-12-15(7-22,8-23)9-24/h1-12H2",BHYQWBKCXBXPKM-UHFFFAOYSA-N,1009.4063,1010.4141,1008.3984,122362,3015044,Chemical info is not verified,
StNorman877,"Tris(2,3-dibromopropyl) phosphate",CAS_RN: 126-72-7,BrCC(Br)CO[P](=O)(OCC(Br)CBr)OCC(Br)CBr,BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr,"InChI=1S/C9H15Br6O4P/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h7-9H,1-6H2",PQYJRMFWJJONBO-UHFFFAOYSA-N,691.5808,692.5886,690.573,29089,31356,Chemical info is verified,
StNorman878,Dibromoneopentyl glycol,CAS_RN: 3296-90-0,OCC(CO)(CBr)CBr,OCC(CO)(CBr)CBr,"InChI=1S/C5H10Br2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2",CHUGKEQJSLOLHL-UHFFFAOYSA-N,259.9048,260.9126,258.8969,17652,18692,Chemical info is verified,
StNorman879,"2,2,2-Tris(bromomethyl)ethanol",CAS_RN: 1522-92-5,OCC(CBr)(CBr)CBr,OCC(CBr)(CBr)CBr,"InChI=1S/C5H9Br3O/c6-1-5(2-7,3-8)4-9/h9H,1-4H2",QEJPOEGPNIVDMK-UHFFFAOYSA-N,321.8204,322.8282,320.8125,14472,15206,Chemical info is verified,
StNorman880,Tetrachlorophthalic anhydride,CAS_RN: 117-08-8,Clc1c(Cl)c(Cl)c2C(=O)OC(=O)c2c1Cl,Clc1c(Cl)c(Cl)c2C(=O)OC(=O)c2c1Cl,InChI=1S/C8Cl4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11,AUHHYELHRWCWEZ-UHFFFAOYSA-N,283.8602,284.868,282.8523,8023,8326,Chemical info is verified,
StNorman881,Hexachlorocyclopentadiene,CAS_RN: 77-47-4,ClC1=C(Cl)C(Cl)(Cl)C(=C1Cl)Cl,ClC1=C(Cl)C(Cl)(Cl)C(=C1Cl)Cl,"InChI=1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8",VUNCWTMEJYMOOR-UHFFFAOYSA-N,269.8131,270.8209,268.8053,6233,6478,Chemical info is verified,
StNorman882,"1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic anhydride",CAS_RN: 115-27-5,ClC1=C(Cl)C2(Cl)C3C(C(=O)OC3=O)C1(Cl)C2(Cl)Cl,ClC1=C(Cl)C2(Cl)C3C(C(=O)OC3=O)C1(Cl)C2(Cl)Cl,"InChI=1S/C9H2Cl6O3/c10-3-4(11)8(13)2-1(5(16)18-6(2)17)7(3,12)9(8,14)15/h1-2H",FLBJFXNAEMSXGL-UHFFFAOYSA-N,367.8135,368.8213,366.8057,7967,8265,Chemical info is verified,
StNorman883,"1,4,5,6,7,7-Hexachlorobicyclo-(2,2,1)hept-5-en-2,3-dicarboxylic acid",CAS_RN: 115-28-6,OC(=O)C1C(C(O)=O)C2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl,OC(=O)C1C(C(=O)O)C2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl,"InChI=1S/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19)",DJKGDNKYTKCJKD-UHFFFAOYSA-N,385.8241,386.8319,384.8162,7968,8266,Chemical info is verified,
StNorman884,Perchloropentacyclodecane,CAS_RN: 2385-85-5,ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl,ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl,"InChI=1S/C10Cl12/c11-1-2(12)7(17)4(14)3(13,5(1,15)9(7,19)20)6(1,16)10(21,22)8(2,4)18",GVYLCNUFSHDAAW-UHFFFAOYSA-N,539.6262,540.6341,538.6184,16054,16945,Chemical info is verified,
StNorman885,"1,2,3,4,6,7,8,9,10,10,11,11-Dodecachloro-1,4,4a,5a,6,9,9a,9b-octahydro-1,4:6,9-dimethanodibenzofuran",CAS_RN: 31107-44-5,ClC1=C(Cl)C2(Cl)C3C(OC4C3C5(Cl)C(=C(Cl)C4(Cl)C5(Cl)Cl)Cl)C1(Cl)C2(Cl)Cl,ClC1=C(Cl)C2(Cl)C3C(OC4C3C3(Cl)C(=C(Cl)C4(Cl)C3(Cl)Cl)Cl)C1(Cl)C2(Cl)Cl,"InChI=1S/C14H4Cl12O/c15-3-5(17)11(21)7-1(9(3,19)13(11,23)24)2-8(27-7)12(22)6(18)4(16)10(2,20)14(12,25)26/h1-2,7-8H",CDBKZZACXQLFMK-UHFFFAOYSA-N,607.6524,608.6603,606.6446,32870,35733,Chemical info is verified,
StNorman886,Dodecachlorodimethanodibenzocyclooctane,CAS_RN: 13560-89-9,ClC1=C(Cl)C2(Cl)C3CCC4C(CCC3C1(Cl)C2(Cl)Cl)C5(Cl)C(=C(Cl)C4(Cl)C5(Cl)Cl)Cl,ClC1=C(Cl)C2(Cl)C3CCC4C(CCC3C1(Cl)C2(Cl)Cl)C1(Cl)C(=C(Cl)C4(Cl)C1(Cl)Cl)Cl,"InChI=1S/C18H12Cl12/c19-9-10(20)15(25)7-3-4-8-6(2-1-5(7)13(9,23)17(15,27)28)14(24)11(21)12(22)16(8,26)18(14,29)30/h5-8H,1-4H2",UGQQAJOWXNCOPY-UHFFFAOYSA-N,647.7201,648.728,646.7123,24323,26111,Chemical info is verified,
StNorman887,"1,2,3,4,5,6,7,8,12,12,13,13-Dodecachloro-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-1,4:5,8:9,10-Trimethanoanthracene",CAS_RN: 13560-92-4,C1C2C3C(C1C4C2C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6(C(=C(C3(C6(Cl)Cl)Cl)Cl)Cl)Cl,C1C2C3C(C1C1C2C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C1(C(=C(C3(C1(Cl)Cl)Cl)Cl)Cl)Cl,"InChI=1S/C17H8Cl12/c18-8-10(20)14(24)6-3-1-2(4(6)12(8,22)16(14,26)27)5-7(3)15(25)11(21)9(19)13(5,23)17(15,28)29/h2-7H,1H2",WSEXCYJMFQVEIN-UHFFFAOYSA-N,631.6888,632.6967,630.681,22803316,13595583,Chemical info is not verified,
StNorman888,"2,2-Bis(chloromethyl)-1,3-propanediol bis[bis(2-chloroethyl)phosphate]",CAS_RN: 38051-10-4,ClCCO[P](=O)(OCCCl)OCC(CCl)(CCl)CO[P](=O)(OCCCl)OCCCl,ClCCOP(=O)(OCCCl)OCC(CCl)(CCl)COP(=O)(OCCCl)OCCCl,"InChI=1S/C13H24Cl6O8P2/c14-1-5-22-28(20,23-6-2-15)26-11-13(9-18,10-19)12-27-29(21,24-7-3-16)25-8-4-17/h1-12H2",ZGHUDSLVQAGWEY-UHFFFAOYSA-N,579.9078,580.9156,578.8999,83339,92310,Chemical info is verified,
StNorman889,Trimethyl phosphate,CAS_RN: 512-56-1,CO[P](=O)(OC)OC,COP(=O)(OC)OC,"InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3",WVLBCYQITXONBZ-UHFFFAOYSA-N,140.0238,141.0317,139.016,10101,10541,Chemical info is verified,
StNorman890,Tripropyl phosphate,CAS_RN: 513-08-6,CCCO[P](=O)(OCCC)OCCC,CCCOP(=O)(OCCC)OCCC,"InChI=1S/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3",RXPQRKFMDQNODS-UHFFFAOYSA-N,224.1177,225.1256,223.1099,10106,10546,Chemical info is verified,
StNorman891,"2,2-Bis(chloromethyl)-1,3-propanediol bis[bis(2-chloro1-methylethyl) phosphate]",CAS_RN: 1047637-37-5,CC(CCl)OP(=O)(OCC(COP(=O)(OC(C)CCl)OC(C)CCl)(CCl)CCl)OC(C)CCl,CC(CCl)OP(=O)(OCC(COP(=O)(OC(C)CCl)OC(C)CCl)(CCl)CCl)OC(C)CCl,"InChI=1S/C17H32Cl6O8P2/c1-13(5-18)28-32(24,29-14(2)6-19)26-11-17(9-22,10-23)12-27-33(25,30-15(3)7-20)31-16(4)8-21/h13-16H,5-12H2,1-4H3",NQJUKCVIIGJHRZ-UHFFFAOYSA-N,635.9704,636.9782,634.9625,35308434,NA,Chemical info is not verified,
StNorman892,Isopropyl phenyl phosphate,CAS_RN: 46355-07-1,CC(C)O[P](O)(=O)Oc1ccccc1,CC(C)OP(=O)(O)Oc1ccccc1,"InChI=1S/C9H13O4P/c1-8(2)12-14(10,11)13-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,10,11)",WRXFONORSZHETC-UHFFFAOYSA-N,216.0551,217.063,215.0473,9497,93246,Chemical info is not verified,
StNorman893,"3,4:5,6-Dibenzo-2H-1,2-oxaphosphorin-2-oxide",CAS_RN: 35948-25-5,O=[P+]1Oc2ccccc2c3ccccc13,O=[P+]1Oc2ccccc2c2ccccc12,InChI=1S/C12H8O2P/c13-15-12-8-4-2-6-10(12)9-5-1-3-7-11(9)14-15/h1-8H/q+1,DWSWCPPGLRSPIT-UHFFFAOYSA-N,215.0256,216.0335,214.0178,4886542,6328250,Chemical info is not verified,
StNorman894,Tris(methylphenyl) phosphate,CAS_RN: 1330-78-5,Cc1ccc(O[P](=O)(Oc2ccc(C)cc2)Oc3ccc(C)cc3)cc1,Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1,"InChI=1S/C21H21O4P/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21/h4-15H,1-3H3",BOSMZFBHAYFUBJ-UHFFFAOYSA-N,368.1177,369.1256,367.1099,6281,6529,Chemical info is not verified,
StNorman895,Tris(4-isopropylphenyl) phosphate,CAS_RN: 2502-15-0,CC(C)c1ccc(O[P](=O)(Oc2ccc(cc2)C(C)C)Oc3ccc(cc3)C(C)C)cc1,CC(C)c1ccc(OP(=O)(Oc2ccc(cc2)C(C)C)Oc2ccc(cc2)C(C)C)cc1,"InChI=1S/C27H33O4P/c1-19(2)22-7-13-25(14-8-22)29-32(28,30-26-15-9-23(10-16-26)20(3)4)31-27-17-11-24(12-18-27)21(5)6/h7-21H,1-6H3",ANVREEJNGJMLOV-UHFFFAOYSA-N,452.2116,453.2195,451.2038,68150,75628,Chemical info is verified,
StNorman896,Resorcinol bis(diphenyl phosphate),CAS_RN: 57583-54-7,O=[P](Oc1ccccc1)(Oc2ccccc2)Oc3cccc(O[P](=O)(Oc4ccccc4)Oc5ccccc5)c3,O=P(Oc1ccccc1)(Oc1ccccc1)Oc1cccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)c1,"InChI=1S/C30H24O8P2/c31-39(33-25-14-5-1-6-15-25,34-26-16-7-2-8-17-26)37-29-22-13-23-30(24-29)38-40(32,35-27-18-9-3-10-19-27)36-28-20-11-4-12-21-28/h1-24H",OWICEWMBIBPFAH-UHFFFAOYSA-N,574.0946,575.1025,573.0868,84241,93311,Chemical info is verified,
StNorman897,"Resorcinol bis[di(2,6-dimethylphenyl) phosphate]",CAS_RN: 139189-30-3,O=P(Oc1c(cccc1C)C)(Oc2c(cccc2C)C)Oc5cccc(OP(=O)(Oc3c(cccc3C)C)Oc4c(cccc4C)C)c5,O=P(Oc1c(cccc1C)C)(Oc1c(cccc1C)C)Oc1cccc(OP(=O)(Oc2c(cccc2C)C)Oc2c(cccc2C)C)c1,"InChI=1S/C38H40O8P2/c1-25-14-9-15-26(2)35(25)43-47(39,44-36-27(3)16-10-17-28(36)4)41-33-22-13-23-34(24-33)42-48(40,45-37-29(5)18-11-19-30(37)6)46-38-31(7)20-12-21-32(38)8/h9-24H,1-8H3",YOLFSLXHLNWPKG-UHFFFAOYSA-N,686.2198,687.2277,685.212,8050456,9874767,Chemical info is verified,
StNorman898,Bisphenol A bis(diphenyl phosphate),CAS_RN: 5945-33-5,O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccc(cc3)C(c6ccc(OP(=O)(Oc4ccccc4)Oc5ccccc5)cc6)(C)C,O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(cc1)C(c1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1)(C)C,"InChI=1S/C39H34O8P2/c1-39(2,31-23-27-37(28-24-31)46-48(40,42-33-15-7-3-8-16-33)43-34-17-9-4-10-18-34)32-25-29-38(30-26-32)47-49(41,44-35-19-11-5-12-20-35)45-36-21-13-6-14-22-36/h3-30H,1-2H3",BQPNUOYXSVUVMY-UHFFFAOYSA-N,692.1729,693.1807,691.1651,8050514,9874825,Chemical info is verified,
StNorman899,Azoxystrobin,CAS_RN: 131860-33-8,CO\C=C(C(=O)OC)/c1ccccc1Oc2cc(Oc3ccccc3C#N)ncn2,CO/C=C(/C(=O)OC)\c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1,"InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+",WFDXOXNFNRHQEC-GHRIWEEISA-N,403.1168,404.1246,402.109,2298772,3034285,Chemical info is verified,
StNorman900,Foramsulfuron,CAS_RN: 173159-57-4,COc1cc(OC)nc(NC(=O)N[S](=O)(=O)c2c(NC=O)cccc2C(=O)N(C)C)n1,COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(NC=O)cccc2C(=O)N(C)C)n1,"InChI=1S/C17H20N6O7S/c1-23(2)15(25)10-6-5-7-11(18-9-24)14(10)31(27,28)22-17(26)21-16-19-12(29-3)8-13(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)",HICJAEZEEBOKGV-UHFFFAOYSA-N,452.1114,453.1192,451.1036,9594484,213014,Chemical info is not verified,
StNorman901,Cycloxydim,CAS_RN: 101205-02-1,CCCC(=NOCC)C1=C(CC(CC1=O)C2CCCSC2)O,CCC/C(=N\OCC)/C1=C(CC(CC1=O)C1CCCSC1)O,"InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+",GGWHBJGBERXSLL-NBVRZTHBSA-N,325.1712,326.179,324.1633,23254552,NA,Chemical info is not verified,
StNorman902,Cyprodinil,CAS_RN: 121552-61-2,Cc1cc(nc(Nc2ccccc2)n1)C3CC3,Cc1cc(nc(Nc2ccccc2)n1)C1CC1,"InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)",HAORKNGNJCEJBX-UHFFFAOYSA-N,225.1266,226.1344,224.1188,77885,86367,Chemical info is verified,
StNorman903,Dimethomorph,CAS_RN: 110488-70-5,COc1ccc(cc1OC)C(=C\C(=O)N2CCOCC2)/c3ccc(Cl)cc3,COc1ccc(cc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(Cl)cc1,"InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+",QNBTYORWCCMPQP-NBVRZTHBSA-N,387.1237,388.1316,386.1159,4735560,5889665,Chemical info is verified,
StNorman904,Metosulam,CAS_RN: 139528-85-1,COc1cc(OC)n2nc(nc2n1)[S](=O)(=O)Nc3c(Cl)ccc(C)c3Cl,COc1cc(OC)n2nc(nc2n1)S(=O)(=O)Nc1c(Cl)ccc(C)c1Cl,"InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3",VGHPMIFEKOFHHQ-UHFFFAOYSA-N,417.0065,418.0144,415.9987,77938,86422,Chemical info is verified,
StNorman905,Nicosulfuron,CAS_RN: 111991-09-4,COc1cc(OC)nc(NC(=O)N[S](=O)(=O)c2ncccc2C(=O)N(C)C)n1,COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1,"InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)",RTCOGUMHFFWOJV-UHFFFAOYSA-N,410.1009,411.1087,409.093,66024,NA,Chemical info is not verified,
StNorman906,Pethoxamid,CAS_RN: 106700-29-2,CCOCCN(C(=O)CCl)C(=C(C)C)c1ccccc1,CCOCCN(C(=O)CCl)C(=C(C)C)c1ccccc1,"InChI=1S/C16H22ClNO2/c1-4-20-11-10-18(15(19)12-17)16(13(2)3)14-8-6-5-7-9-14/h5-9H,4,10-12H2,1-3H3",CSWIKHNSBZVWNQ-UHFFFAOYSA-N,295.1339,296.1417,294.1261,4953376,6450826,Chemical info is verified,
StNorman907,Propamocarb,CAS_RN: 24579-73-5,[Cl-].CCCOC(=O)NCCC[NH+](C)C,CCCOC(=O)NCCCN(C)C,"InChI=1S/C9H20N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12)",WZZLDXDUQPOXNW-UHFFFAOYSA-N,188.1525,189.1603,187.1447,30114,32490,Chemical info is verified,
StNorman908,Prosulfocarb,CAS_RN: 52888-80-9,CCCN(CCC)C(=O)SCc1ccccc1,CCCN(CCC)C(=O)SCc1ccccc1,"InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3",NQLVQOSNDJXLKG-UHFFFAOYSA-N,251.1344,252.1422,250.1266,55867,62020,Chemical info is verified,
StNorman909,Climbazol,CAS_RN: 38083-17-9,CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2ccnc2,CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1,"InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3",OWEGWHBOCFMBLP-UHFFFAOYSA-N,292.0979,293.1057,291.09,34752,37907,Chemical info is verified,
StNorman910,Gabapentin,CAS_RN: 60142-96-3,NCC1(CCCCC1)CC(O)=O,NCC1(CCCCC1)CC(=O)O,"InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)",UGJMXCAKCUNAIE-UHFFFAOYSA-N,171.1259,172.1338,170.1181,3328,NA,Chemical info is not verified,
StNorman911,Irbesartan,CAS_RN: 138402-11-6,CCCCC1=NC2(CCCC2)C(=O)N1Cc3ccc(cc3)c4ccccc4c5n[nH]nn5,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1,"InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)",YOSHYTLCDANDAN-UHFFFAOYSA-N,428.2325,429.2403,427.2246,3618,3749,Chemical info is verified,
StNorman912,Valsartan,CAS_RN: 137862-53-4,CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3n[nH]nn3)[C@@H](C(C)C)C(O)=O,CCCCC(=O)N(Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(C(C)C)C(=O)O,"InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)",ACWBQPMHZXGDFX-UHFFFAOYSA-N,435.227,436.2349,434.2192,54833,NA,Chemical info is not verified,
StNorman913,Eprosartan,CAS_RN: 133040-01-4,CCCCc1ncc(\C=C(/Cc2sccc2)C(O)=O)n1Cc3ccc(cc3)C(O)=O,CCCCc1ncc(/C=C(\Cc2sccc2)/C(=O)O)n1Cc1ccc(cc1)C(=O)O,"InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+",OROAFUQRIXKEMV-LDADJPATSA-N,424.1457,425.1535,423.1379,54861,5281037,Chemical info is verified,
StNorman914,Losartan,CAS_RN: 114798-26-4,CCCCc1nc(Cl)c(CO)n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4,CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1,"InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)",PSIFNNKUMBGKDQ-UHFFFAOYSA-N,422.1622,423.17,421.1544,3824,3961,Chemical info is verified,
StNorman915,Moclobemide,CAS_RN: 71320-77-9,Clc1ccc(cc1)C(=O)NCCN2CCOCC2,Clc1ccc(cc1)C(=O)NCCN1CCOCC1,"InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)",YHXISWVBGDMDLQ-UHFFFAOYSA-N,268.0979,269.1057,267.09,4087,4235,Chemical info is verified,
StNorman916,Venlafaxine,CAS_RN: 93413-69-5,COc1ccc(cc1)C(CN(C)C)C2(O)CCCCC2,COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1,"InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3",PNVNVHUZROJLTJ-UHFFFAOYSA-N,277.2042,278.212,276.1964,5454,5656,Chemical info is verified,
StNorman917,Per?uoro-1-butane-sulfonamide,CAS_RN: 30334-69-1,C(C(C(F)(F)S(=O)(=O)N)(F)F)(C(F)(F)F)(F)F,C(C(C(F)(F)S(=O)(=O)N)(F)F)(C(F)(F)F)(F)F,"InChI=1S/C4H2F9NO2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H2,14,15,16)",FUVKFLJWBHVMHX-UHFFFAOYSA-N,298.9663,299.9741,297.9584,9133422,NA,Chemical info is not verified,
StNorman918,Perfluohexane sulfonamide,CAS_RN: 41997-13-1,C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,"InChI=1S/C6H2F13NO2S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H2,20,21,22)",WDZLGCSJJWEQJO-UHFFFAOYSA-N,398.9599,399.9677,397.952,9778434,11603678,Chemical info is not verified,
StNorman919,"N,N-Dimethylperfluorooctane sulfonamide",CAS_RN: 87988-61-2,CCN(CC)[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C12H10F17NO2S/c1-3-30(4-2)33(31,32)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h3-4H2,1-2H3",YMACLHHWYOVAOI-UHFFFAOYSA-N,555.0161,556.0239,554.0083,140015,159193,Chemical info is not verified,
StNorman920,Perfluorooctane sulfonamido acetic acid,CAS_RN: 2806-24-8,C(C(=O)O)NS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,C(C(=O)O)NS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C10H4F17NO4S/c11-3(12,5(15,16)7(19,20)9(23,24)25)4(13,14)6(17,18)8(21,22)10(26,27)33(31,32)28-1-2(29)30/h28H,1H2,(H,29,30)",AYLOUUCBACYHAB-UHFFFAOYSA-N,556.959,557.9668,555.9511,8682412,10507011,Chemical info is not verified,
StNorman921,N-methylperfluorooctane sulfonamido acetic acid,CAS_RN: 2355-31-9,CN(CC(=O)O)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,CN(CC(=O)O)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C11H6F17NO4S/c1-29(2-3(30)31)34(32,33)11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h2H2,1H3,(H,30,31)",QNDHIRFIMVNHBN-UHFFFAOYSA-N,570.9746,571.9824,569.9668,11316301,22286931,Chemical info is not verified,
StNorman922,N-ethylperfluorooctane sulfonamido acetic acid,CAS_RN: 2991-50-6,CCN(CC(O)=O)[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CC(=O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C12H8F17NO4S/c1-2-30(3-4(31)32)35(33,34)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h2-3H2,1H3,(H,31,32)",CKRXVVGETMYFIO-UHFFFAOYSA-N,584.9903,585.9981,583.9824,17128,18134,Chemical info is verified,
StNorman923,6:2 perfluorohexyl ethanoic acid,CAS_RN: 53826-12-3,C(C(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,C(C(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C8H3F13O2/c9-3(10,1-2(22)23)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1H2,(H,22,23)",LRWIIEJPCFNNCZ-UHFFFAOYSA-N,377.9925,379.0004,376.9847,9958444,11783764,Chemical info is not verified,
StNorman924,8:2 perfluorooctyl ethanoic acid,CAS_RN: 27854-31-5,C(C(=O)O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,C(C(=O)O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C10H3F17O2/c11-3(12,1-2(28)29)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1H2,(H,28,29)",XTBXSCIWOVSSGB-UHFFFAOYSA-N,477.9862,478.994,476.9783,9169620,10994425,Chemical info is not verified,
StNorman925,10:2 perfluorodecyl ethanoic acid,CAS_RN: 53826-13-4,C(C(=O)O)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,C(C(=O)O)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C12H3F21O2/c13-3(14,1-2(34)35)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1H2,(H,34,35)",IKHNVATUHWDNGI-UHFFFAOYSA-N,577.9798,578.9876,576.9719,9203424,11028244,Chemical info is not verified,
StNorman926,3:3 perfluoropropyl propanoic acid,CAS_RN: 356-02-5,C(CC(C(C(F)(F)F)(F)F)(F)F)C(=O)O,C(CC(C(C(F)(F)F)(F)F)(F)F)C(=O)O,"InChI=1S/C6H5F7O2/c7-4(8,2-1-3(14)15)5(9,10)6(11,12)13/h1-2H2,(H,14,15)",ISFKSWMQWIRDNC-UHFFFAOYSA-N,242.0178,243.0256,241.01,2055285,2774909,Chemical info is not verified,
StNorman927,5:3 perfluoropentyl propanoic acid,CAS_RN: 914637-49-3,C(CC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O,C(CC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O,"InChI=1S/C8H5F11O2/c9-4(10,2-1-3(20)21)5(11,12)6(13,14)7(15,16)8(17,18)19/h1-2H2,(H,20,21)",ABFCFCPCGMHSRX-UHFFFAOYSA-N,342.0114,343.0192,341.0036,15880339,14632790,Chemical info is not verified,
StNorman928,7:3 perfluoroheptyl propanoic acid,CAS_RN: 812-70-4,C(CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O,C(CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O,"InChI=1S/C10H5F15O2/c11-4(12,2-1-3(26)27)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1-2H2,(H,26,27)",HLBRGVKRZQSQHB-UHFFFAOYSA-N,442.005,443.0128,440.9972,2063518,2783376,Chemical info is not verified,
StNorman929,6:2 2H-perfluoro-2-octenoic acid,CAS_RN: 70887-88-6,C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C(=O)O,C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)/C(=O)O,"InChI=1S/C8H2F12O2/c9-2(1-3(21)22)4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)20/h1H,(H,21,22)/b2-1-",BKOBFLVYTXYFQZ-UPHRSURJSA-N,357.9863,358.9941,356.9785,34448784,86290106,Chemical info is not verified,
StNorman930,8:2 2H-perfluoro-2-decenoic acid,CAS_RN: 70887-84-2,C(=C(/C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C(=O)O,C(=C(\C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)/C(=O)O,"InChI=1S/C10H2F16O2/c11-2(1-3(27)28)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h1H,(H,27,28)/b2-1-",WHZXTVOEGZRRJM-UPHRSURJSA-N,457.9799,458.9878,456.9721,34448785,11733192,Chemical info is not verified,
StNorman931,10:2 2H-perfluoro-2-dodenoic acid,CAS_RN: 70887-94-4,C(=C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)C(=O)O,C(=C(\C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)/C(=O)O,"InChI=1S/C12H2F20O2/c13-2(1-3(33)34)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)32/h1H,(H,33,34)/b2-1-",OGNPKTMXAFCAFU-UPHRSURJSA-N,557.9735,558.9814,556.9657,58196058,101674537,Chemical info is not verified,
StNorman932,4:2 Fluorotelomer sulfonic acid,CAS_RN: 757124-72-4,C(CS(=O)(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C(CS(=O)(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C6H5F9O3S/c7-3(8,1-2-19(16,17)18)4(9,10)5(11,12)6(13,14)15/h1-2H2,(H,16,17,18)",TXGIGTRUEITPSC-UHFFFAOYSA-N,327.9816,328.9894,326.9737,16166147,20734543,Chemical info is not verified,
StNorman933,8:2 Fluorotelomer sulfonic acid,CAS_RN: 39108-34-4,O[S](=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C10H5F17O3S/c11-3(12,1-2-31(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2,(H,28,29,30)",ALVYVCQIFHTIRD-UHFFFAOYSA-N,527.9688,528.9766,526.961,2284056,3016044,Chemical info is verified,
StNorman934,Perfluorohexyl phosphonic acid,CAS_RN: 40143-76-8,OP(O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OP(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C6H2F13O3P/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H2,20,21,22)",AGCUFKNHQDVTAD-UHFFFAOYSA-N,399.9534,400.9612,398.9456,NA,NA,Chemical info is not verified,
StNorman935,Perfluorooctyl phosphonic acid,CAS_RN: 40143-78-0,FC(F)(C(F)(F)P(O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,FC(F)(C(F)(F)P(=O)(O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C8H2F17O3P/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H2,26,27,28)",CPRNWMZKNOIIML-UHFFFAOYSA-N,499.947,500.9548,498.9392,15186112,13528037,Chemical info is not verified,
StNorman936,Perfluorodecyl phosphonic acid,CAS_RN: 52299-26-0,OP(O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OP(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C10H2F21O3P/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)35(32,33)34/h(H2,32,33,34)",CTGNCBOZEMOASL-UHFFFAOYSA-N,599.9406,600.9484,598.9328,NA,NA,Chemical info is not verified,
StNorman937,Bis-(perfluorohexyl) phosphinic acid,CAS_RN: 40143-77-9,C(C(C(C(F)(F)P(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,C(C(C(C(F)(F)P(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,"InChI=1S/C12HF26O2P/c13-1(14,5(21,22)9(29,30)31)3(17,18)7(25,26)11(35,36)41(39,40)12(37,38)8(27,28)4(19,20)2(15,16)6(23,24)10(32,33)34/h(H,39,40)",NKHVPWOARFMIPG-UHFFFAOYSA-N,701.9299,702.9377,700.9221,57425007,71363384,Chemical info is not verified,
StNorman938,Bis-perfluorohexyl perfluorooctyl phosphinic acid,CAS_RN: 610800-34-5,NA,NA,NA,NA,NA,NA,NA,NA,NA,Chemical info is not verified,
StNorman939,Bis-(perfluorooctyl) phosphinic acid,CAS_RN: 40143-79-1,C(C(C(C(C(F)(F)P(=O)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C(C(C(C(C(F)(F)P(=O)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C16HF34O2P/c17-1(18,5(25,26)9(33,34)13(41,42)43)3(21,22)7(29,30)11(37,38)15(47,48)53(51,52)16(49,50)12(39,40)8(31,32)4(23,24)2(19,20)6(27,28)10(35,36)14(44,45)46/h(H,51,52)",BELPOXSOCHBAEX-UHFFFAOYSA-N,901.9171,902.9249,900.9093,57425008,13528039,Chemical info is not verified,
StNorman940,6:2 Fluorotelomer phosphate monoester,CAS_RN: 57678-01-0,C(COP(=O)(O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,C(COP(=O)(O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C8H6F13O4P/c9-3(10,1-2-25-26(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H2,22,23,24)",FZTRDYSPWWJCOF-UHFFFAOYSA-N,443.9796,444.9874,442.9718,28290256,14250578,Chemical info is verified,
StNorman941,8:2 Fluorotelomer phosphate monoester,CAS_RN: 57678-03-2,C(COP(=O)(O)O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,C(COP(=O)(O)O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C10H6F17O4P/c11-3(12,1-2-31-32(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2,(H2,28,29,30)",MIABSAQIFYEDJP-UHFFFAOYSA-N,543.9732,544.981,542.9654,8319248,10143739,Chemical info is not verified,
StNorman942,"Bis (1H,1H,2H,2H-perfluorohexyl) phosphate - 4:2 Fluorotelomer phosphate diester",CAS_RN: 135098-69-0,NA,NA,NA,NA,NA,NA,NA,NA,NA,Chemical info is not verified,
StNorman943,"Bis (1H,1H,2H,2H-perflurooctyl) phosphate - 6:2 Fluorotelomer phosphate diester",CAS_RN: 57677-95-9,C(COP(=O)(O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,C(COP(=O)(O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C16H9F26O4P/c17-5(18,7(21,22)9(25,26)11(29,30)13(33,34)15(37,38)39)1-3-45-47(43,44)46-4-2-6(19,20)8(23,24)10(27,28)12(31,32)14(35,36)16(40,41)42/h1-4H2,(H,43,44)",ZDYYWMSLMLTXDM-UHFFFAOYSA-N,789.9823,790.9902,788.9745,31045606,14550408,Chemical info is not verified,
StNorman944,"Bis (1H,1H,2H,2H-perflurodecyl) phosphate - 8:2 Fluorotelomer phosphate diester",CAS_RN: 678-41-1,O[P](=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C20H9F34O4P/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)1-3-57-59(55,56)58-4-2-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54/h1-4H2,(H,55,56)",AFWOYEYXUDHGHF-UHFFFAOYSA-N,989.9696,990.9774,988.9617,2288808,3022253,Chemical info is verified,
StNorman945,10:2 Fluorotelomer phosphate diester,CAS_RN: 1895-26-7,O[P](=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C24H9F42O4P/c25-5(26,7(29,30)9(33,34)11(37,38)13(41,42)15(45,46)17(49,50)19(53,54)21(57,58)23(61,62)63)1-3-69-71(67,68)70-4-2-6(27,28)8(31,32)10(35,36)12(39,40)14(43,44)16(47,48)18(51,52)20(55,56)22(59,60)24(64,65)66/h1-4H2,(H,67,68)",FHENBBPEACDTCF-UHFFFAOYSA-N,1189.9568,1190.9646,1188.949,2288810,3022255,Chemical info is verified,
StNorman946,4:2/6:2 Fluorotelomer phosphate diester,CAS_RN: 1158182-59-2,NA,NA,NA,NA,NA,NA,NA,NA,NA,Chemical info is not verified,MIXTURE
StNorman947,6:2/8:2 Fluorotelomer phosphate diester,CAS_RN: 943913-15-3,NA,NA,NA,NA,NA,NA,NA,NA,NA,Chemical info is not verified,MIXTURE
StNorman948,8:2/10:2 Fluorotelomer phosphate diester,CAS_RN: 1158182-60-5,NA,NA,NA,NA,NA,NA,NA,NA,NA,Chemical info is not verified,MIXTURE
StNorman949,perfluoropolyethers,CAS_RN: 329238-24-6,NA,NA,NA,NA,NA,NA,NA,NA,NA,Chemical info is not verified,MIXTURE
StNorman950,3H-perfluoro-3-((3-methoxy-propoxy)propanoic acid) ammonium salt / CF3OCF2CF2CF2OCHFCF2COONH4,CAS_RN: 958445-44-8,[O-]C(=O)C(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F,OC(=O)C(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F,"InChI=1S/C7H2F12O4/c8-1(3(9,10)2(20)21)22-5(13,14)4(11,12)6(15,16)23-7(17,18)19/h1H,(H,20,21)",AFDRCEOKCOUICI-UHFFFAOYSA-N,377.9761,378.984,376.9683,NA,NA,Chemical info is not verified,
StNorman951,Ammonium perfluoro(2-methyl-3-oxahexanoate) / CF3CF2CF2OCF(CF3)COONH4,CAS_RN: 62037-80-3,C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)[O-].[NH4+],C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)O,"InChI=1S/C6HF11O3/c7-2(1(18)19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15/h(H,18,19)",CSEBNABAWMZWIF-UHFFFAOYSA-N,329.975,330.9828,328.9672,26235356,114481,Chemical info is verified,
StNorman952,"2, 2, 3, 3, 4, 4, 4-Heptafluoro-1-Butanol",CAS_RN: 375-01-9,OCC(F)(F)C(F)(F)C(F)(F)F,OCC(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2",WXJFKAZDSQLPBX-UHFFFAOYSA-N,200.0072,201.015,198.9994,9393,9776,Chemical info is verified,
StNorman953,"2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 6 - Undecafluoro-1-Hexanol",CAS_RN: 423-46-1,C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O,C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C6H3F11O/c7-2(8,1-18)3(9,10)4(11,12)5(13,14)6(15,16)17/h18H,1H2",QZFZPVVDBGXQTB-UHFFFAOYSA-N,300.0008,301.0087,298.993,2062560,2782405,Chemical info is not verified,
StNorman954,6:2 fluorotelomer sulfonamide alkylbetaine (trade name Forafac 1157),CAS_RN: ,C[N+](C)(CCCNS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC([O-])=O,C[N+](C)(CCCNS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)O,"InChI=1S/C15H19F13N2O4S/c1-30(2,8-9(31)32)6-3-5-29-35(33,34)7-4-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h29H,3-8H2,1-2H3/p+1",OKOCIUJVPQKDLL-UHFFFAOYSA-O,571.0931,572.1009,570.0852,NA,NA,Chemical info is not verified,http://www.sciencedirect.com/science/article/pii/S0045653512006091
StNorman955,6:2 fluorotelomer sulfonamide aminoxide(trade name Forafac 1183),CAS_RN: 80475-32-7,CN(C)CCC[NH+]([O-])[S](=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(C)CCCN(=O)S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C13H17F13N2O3S/c1-27(2)5-3-6-28(29)32(30,31)7-4-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h28H,3-7H2,1-2H3",WQNQTJSLPDZSDK-UHFFFAOYSA-N,528.0752,529.0831,527.0674,138466,157337,Chemical info is not verified,
StNorman956,Perfluorobutanoic acid,CAS_RN: 375-22-4,OC(=O)C(F)(F)C(F)(F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13)",YPJUNDFVDDCYIH-UHFFFAOYSA-N,213.9865,214.9943,212.9787,9394,9777,Chemical info is verified,
StNorman957,Perfluoropentanoic  acid,CAS_RN: 2706-90-3,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)",CXZGQIAOTKWCDB-UHFFFAOYSA-N,263.9833,264.9911,262.9755,68426,75921,Chemical info is verified,
StNorman958,Perfluorohexane sulfonyl fluoride,CAS_RN: 423-50-7,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[S](F)(=O)=O,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F,"InChI=1S/C6F14O2S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22",HSDJWNJDPDJOEV-UHFFFAOYSA-N,401.9395,402.9474,400.9317,61235,67918,Chemical info is verified,
StNorman959,4:2 Fluorotelomer Thioamido Sulfonate,CAS_RN: ,NA,NA,NA,NA,NA,NA,NA,NA,NA,Chemical info is not verified,
StNorman960,6:2 Fluorotelomer Thioamido Sulfonate,CAS_RN: ,NA,NA,NA,NA,NA,NA,NA,NA,NA,Chemical info is not verified,
StNorman961,8:2 Fluorotelomer Thioamido Sulfonate,CAS_RN: ,NA,NA,NA,NA,NA,NA,NA,NA,NA,Chemical info is not verified,
StNorman962,Clofibrate,CAS_RN: ,CCOC(=O)C(C)(C)Oc1ccc(cc1)Cl,CCOC(=O)C(C)(C)Oc1ccc(cc1)Cl,"InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3",KNHUKKLJHYUCFP-UHFFFAOYSA-N,242.071,243.0788,241.0631,NA,NA,Chemical info is not verified,
StNorman963,Benzoylecgonine (Cocaine),CAS_RN: 519-09-5,CN1C2CCC1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(O)=O,CN1C2CCC1C(C(C2)OC(=O)c1ccccc1)C(=O)O,"InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)",GVGYEFKIHJTNQZ-UHFFFAOYSA-N,289.1314,290.1392,288.1236,395095,2340,Chemical info is not verified,
StNorman964,Amphetamine,CAS_RN: 300-62-9,CC(N)Cc1ccccc1,CC(N)Cc1ccccc1,"InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3",KWTSXDURSIMDCE-UHFFFAOYSA-N,135.1048,136.1126,134.097,5621,3007,Chemical info is verified,
StNorman965,Methamphetamine,CAS_RN: 537-46-2,CN[C@@H](C)Cc1ccccc1,CNC(C)Cc1ccccc1,"InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3",MYWUZJCMWCOHBA-UHFFFAOYSA-N,149.1204,150.1283,148.1126,10379,1206,Chemical info is verified,
StNorman966,MDMA (Ecstasy) ,CAS_RN: ,CC(Cc1ccc2c(c1)OCO2)NC,CC(Cc1ccc2c(c1)OCO2)NC,"InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3",SHXWCVYOXRDMCX-UHFFFAOYSA-N,193.1103,194.1181,192.1025,NA,NA,Chemical info is not verified,
StNorman967,THC-COOH (Cannabis),CAS_RN: ,CCCCCc1cc(c2c(c1)OC([C@H]3[C@H]2C=C(CC3)C(=O)O)(C)C)O,CCCCCc1cc(c2c(c1)OC(C1C2C=C(CC1)C(=O)O)(C)C)O,"InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)",YOVRGSHRZRJTLZ-UHFFFAOYSA-N,344.1988,345.2066,343.1909,NA,NA,Chemical info is not verified,