CASRN Chemical Name DTXSID Original SMILES Original InChIKey QSAR Ready SMILES Technical Report No. NTP Level Of Evidence Male Rats NTP Level Of Evidence Female Rats NTP Level Of Evidence Male Mice NTP Level Of Evidence Female Mice Tested in Tox21 67-66-3 Chloroform DTXSID1020306 ClC(Cl)Cl HEDRZPFGACZZDS-UHFFFAOYSA-N ClC(Cl)Cl TR-000 P NE P P Yes 143-50-0 Chlordecone (kepone) DTXSID1020770 ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl LHHGDZSESBACKH-UHFFFAOYSA-N ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl TR-000 P P P P Yes 79-01-6 Trichloroethylene DTXSID0021383 ClC=C(Cl)Cl XSTXAVWGXDQKEL-UHFFFAOYSA-N ClC=C(Cl)Cl TR-002 NE NE P P Yes 71-55-6 "1,1,1-Trichloroethane" DTXSID0021381 CC(Cl)(Cl)Cl UOCLXMDMGBRAIB-UHFFFAOYSA-N CC(Cl)(Cl)Cl TR-003 IS IS IS IS Yes 60-51-5 Dimethoate DTXSID7020479 CNC(=O)CSP(=S)(OC)OC MCWXGJITAZMZEV-UHFFFAOYSA-N CNC(=O)CSP(=S)(OC)OC TR-004 NE NE NE NE Yes 952-23-8 Proflavin hydrochloride DTXSID8021191 Cl.NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1 PBBGTVBGXBUVLT-UHFFFAOYSA-N NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1 TR-005 EE NE EE EE Yes 18662-53-8 Nitrilotriacetic acid trisodium monohydrate at LBI DTXSID5020940 O.[Na+].[Na+].[Na+].[O-]C(=O)CN(CC([O-])=O)CC([O-])=O HERBOKBJKVUALN-UHFFFAOYSA-K OC(=O)CN(CC(O)=O)CC(O)=O TR-006 EE EE NE NE Yes 18662-53-8 Nitrilotriacetic acid trisodium monohydrate at SRI DTXSID5020940 O.[Na+].[Na+].[Na+].[O-]C(=O)CN(CC([O-])=O)CC([O-])=O HERBOKBJKVUALN-UHFFFAOYSA-K OC(=O)CN(CC(O)=O)CC(O)=O TR-006 P P NT NT Yes 139-13-9 Nitrilotriacetic acid (NTA) at LBI DTXSID6020939 OC(=O)CN(CC(O)=O)CC(O)=O MGFYIUFZLHCRTH-UHFFFAOYSA-N OC(=O)CN(CC(O)=O)CC(O)=O TR-006 P P P P Yes 834-28-6 Phenformin hydrochloride DTXSID0021121 Cl.NC(=N)NC(=N)NCCC1=CC=CC=C1 YSUCWSWKRIOILX-UHFFFAOYSA-N NC(=N)NC(=N)NCCC1=CC=CC=C1 TR-007 NE NE NE NE Yes 57-74-9 Chlordane (analytical grade) DTXSID7020267 ClC1CC2C(C1Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl BIWJNBZANLAXMG-UHFFFAOYSA-N ClC1CC2C(C1Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl TR-008 NE NE P P Yes 76-44-8 Heptachlor DTXSID3020679 ClC1C=CC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl FRCCEHPWNOQAEU-UHFFFAOYSA-N ClC1C=CC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl TR-009 NE EE P P Yes 62-73-7 Dichlorvos DTXSID5020449 COP(=O)(OC)OC=C(Cl)Cl OEBRKCOSUFCWJD-UHFFFAOYSA-N COP(=O)(OC)OC=C(Cl)Cl TR-010 NE NE NE NE Yes 150-38-9 Trisodium ethylenediaminetetraacetate trihydrate (EDTA) DTXSID7020556 [Na+].[Na+].[Na+].OC(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O QZKRHPLGUJDVAR-UHFFFAOYSA-K OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O TR-011 NE NE NE NE No 72-20-8 Endrin DTXSID6020561 ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@H]4C[C@H]([C@@H]5O[C@H]45)[C@@H]3[C@@]1(Cl)C2(Cl)Cl DFBKLUNHFCTMDC-GKRDHZSOSA-N ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl TR-012 NE NE NE NE Yes 127-18-4 Tetrachloroethylene DTXSID2021319 ClC(Cl)=C(Cl)Cl CYTYCFOTNPOANT-UHFFFAOYSA-N ClC(Cl)=C(Cl)Cl TR-013 IS IS P P Yes 58-89-9 Lindane DTXSID2020686 Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl JLYXXMFPNIAWKQ-GNIYUCBRSA-N ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl TR-014 NE NE NE NE Yes 133-06-2 Captan DTXSID9020243 ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O LDVVMCZRFWMZSG-UHFFFAOYSA-N ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O TR-015 NE NE P P Yes 13171-21-6 Phosphamidon DTXSID7021156 CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC RGCLLPNLLBQHPF-UHFFFAOYSA-N CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC TR-016 EE EE NE NE Yes 13366-73-9 Photodieldrin DTXSID4020454 ClC1C2(Cl)C3C4C5OC5C5C4C1(Cl)C(Cl)(C35)C2(Cl)Cl LOVDWMTZZYUFMA-UHFFFAOYSA-N ClC1C2(Cl)C3C4C5OC5C5C4C1(Cl)C(Cl)(C35)C2(Cl)Cl TR-017 NE NE NE NE No 3458-22-8 "IPD (3,3'-iminobis-1-propanol dimethanesulfonate (ester) hydrochloride)" DTXSID0020735 Cl.CS(=O)(=O)OCCCNCCCOS(C)(=O)=O YWCASUPWYFFUHE-UHFFFAOYSA-N CS(=O)(=O)OCCCNCCCOS(C)(=O)=O TR-018 EE EE EE EE No 366-70-1 Procarbazine hydrochloride DTXSID3021190 Cl.CNNCC1=CC=C(C=C1)C(=O)NC(C)C DERJYEZSLHIUKF-UHFFFAOYSA-N CNNCC1=CC=C(C=C1)C(=O)NC(C)C TR-019 P P P P Yes 80-08-0 "4,4'-Sulfonyldianiline (Dapsone)" DTXSID4020371 NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1 MQJKPEGWNLWLTK-UHFFFAOYSA-N NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1 TR-020 P NE NE NE Yes 309-00-2 Aldrin DTXSID8020040 ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3[C@@]1(Cl)C2(Cl)Cl QBYJBZPUGVGKQQ-SJJAEHHWSA-N ClC1=C(Cl)C2(Cl)C3C4CC(C=C4)C3C1(Cl)C2(Cl)Cl TR-021 EE EE P NE Yes 60-57-1 Dieldrin DTXSID9020453 ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H]4C[C@@H]([C@H]5O[C@@H]45)[C@@H]3[C@@]1(Cl)C2(Cl)Cl DFBKLUNHFCTMDC-PICURKEMSA-N ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl TR-021 NE NE EE NE Yes 60-57-1 Dieldrin DTXSID9020453 ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H]4C[C@@H]([C@H]5O[C@@H]45)[C@@H]3[C@@]1(Cl)C2(Cl)Cl DFBKLUNHFCTMDC-PICURKEMSA-N ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl TR-022 NE NE NT NT Yes 2/1/1918 Picloram DTXSID1021160 NC1=C(Cl)C(Cl)=NC(C(O)=O)=C1Cl NQQVFXUMIDALNH-UHFFFAOYSA-N NC1=C(Cl)C(Cl)=NC(C(O)=O)=C1Cl TR-023 NE EE NE NE Yes 121-75-5 Malathion DTXSID4020791 CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC JXSJBGJIGXNWCI-UHFFFAOYSA-N CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC TR-024 NE NE NE NE Yes 133-90-4 Chloramben DTXSID2020262 NC1=C(Cl)C(=CC(Cl)=C1)C(O)=O HSSBORCLYSCBJR-UHFFFAOYSA-N NC1=C(Cl)C(=CC(Cl)=C1)C(O)=O TR-025 NE NE EE P Yes 1836-75-5 Nitrofen DTXSID7020970 [O-][N+](=O)C1=CC=C(OC2=C(Cl)C=C(Cl)C=C2)C=C1 XITQUSLLOSKDTB-UHFFFAOYSA-N [O-][N+](=O)C1=CC=C(OC2=C(Cl)C=C(Cl)C=C2)C=C1 TR-026 IS P P P Yes 79-34-5 "1,1,2,2-Tetrachloroethane" DTXSID7021318 ClC(Cl)C(Cl)Cl QPFMBZIOSGYJDE-UHFFFAOYSA-N ClC(Cl)C(Cl)Cl TR-027 EE NE P P Yes 96-12-8 "1,2-Dibromo-3-chloropropane" DTXSID3020413 ClCC(Br)CBr WBEJYOJJBDISQU-UHFFFAOYSA-N ClCC(Br)CBr TR-028 P P P P Yes 129-15-7 2-Methyl-1-nitroanthraquinone DTXSID7020847 CC1=CC=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C1[N+]([O-])=O FYXKXZFTZBYYNP-UHFFFAOYSA-N CC1=CC=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C1[N+]([O-])=O TR-029 P P P P Yes 6358-85-6 Diarylanilide yellow DTXSID1021451 CC(=O)C(N=NC1=C(Cl)C=C(C=C1)C1=CC(Cl)=C(C=C1)N=NC(C(C)=O)C(=O)NC1=CC=CC=C1)C(=O)NC1=CC=CC=C1 GNCOVOVCHIHPHP-UHFFFAOYSA-N CC(=O)C(N=NC1=C(Cl)C=C(C=C1)C1=CC(Cl)=C(C=C1)N=NC(C(C)=O)C(=O)NC1=CC=CC=C1)C(=O)NC1=CC=CC=C1 TR-030 NE NE NE NE No 64-77-7 Tolbutamide DTXSID8021359 CCCCNC(=O)NS(=O)(=O)C1=CC=C(C)C=C1 JLRGJRBPOGGCBT-UHFFFAOYSA-N CCCCNC(=O)NS(=O)(=O)C1=CC=C(C)C=C1 TR-031 NE NE NE NE Yes 3778-73-2 Isophosphamide DTXSID7020760 ClCCNP1(=O)OCCCN1CCCl HOMGKSMUEGBAAB-UHFFFAOYSA-N ClCCNP1(=O)OCCCN1CCCl TR-032 NE P NE P Yes 961-11-5 Tetrachlorvinphos DTXSID1021320 COP(=O)(OC)OC(=CCl)C1=C(Cl)C=C(Cl)C(Cl)=C1 UBCKGWBNUIFUST-UHFFFAOYSA-N COP(=O)(OC)OC(=CCl)C1=C(Cl)C=C(Cl)C(Cl)=C1 TR-033 NE P P P Yes 1582-09-8 Trifluralin DTXSID4021395 CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O ZSDSQXJSNMTJDA-UHFFFAOYSA-N CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O TR-034 NE NE NE P Yes 72-43-5 Methoxychlor DTXSID9020827 COC1=CC=C(C=C1)C(C1=CC=C(OC)C=C1)C(Cl)(Cl)Cl IAKOZHOLGAGEJT-UHFFFAOYSA-N COC1=CC=C(C=C1)C(C1=CC=C(OC)C=C1)C(Cl)(Cl)Cl TR-035 NE NE NE NE Yes 118-92-3 o-Anthranilic acid DTXSID8020094 NC1=C(C=CC=C1)C(O)=O RWZYAGGXGHYGMB-UHFFFAOYSA-N NC1=C(C=CC=C1)C(O)=O TR-036 NE NE NE NE Yes 8001-35-2 Toxaphene DTXSID7021368 - - - TR-037 EE EE P P Yes 11097-69-1 Aroclor 1254 DTXSID5020100 - - - TR-038 EE EE NT NT No 303-34-4 Lasiocarpine DTXSID1020772 CO[C@@H](C)[C@@](O)(C(=O)OCC1=CCN2CC[C@H](OC(=O)C(\C)=C/C)[C@@H]12)C(C)(C)O QHOZSLCIKHUPSU-PNFBIMPKSA-N COC(C)C(O)(C(=O)OCC1=CCN2CCC(OC(=O)C(C)=CC)C12)C(C)(C)O TR-039 P P NT NT No 70-30-4 Hexachlorophene DTXSID6020690 OC1=C(CC2=C(Cl)C(Cl)=CC(Cl)=C2O)C(Cl)=C(Cl)C=C1Cl ACGUYXCXAPNIKK-UHFFFAOYSA-N OC1=C(CC2=C(Cl)C(Cl)=CC(Cl)=C2O)C(Cl)=C(Cl)C=C1Cl TR-040 NE NE NT NT Yes 1897-45-6 Chlorothalonil DTXSID0020319 ClC1=C(Cl)C(C#N)=C(Cl)C(C#N)=C1Cl CRQQGFGUEAVUIL-UHFFFAOYSA-N ClC1=C(Cl)C(C#N)=C(Cl)C(C#N)=C1Cl TR-041 P P NE NE Yes 320-67-2 5-Azacytidine DTXSID9020116 NC1=NC(=O)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O NMUSYJAQQFHJEW-KVTDHHQDSA-N NC1=NC(=O)N(C=N1)C1OC(CO)C(O)C1O TR-042 IS IS IS P Yes 316-42-7 Emetine hydrochloride DTXSID7020558 Cl.Cl.CC[C@H]1CN2CCC3=C(C=C(OC)C(OC)=C3)[C@@H]2C[C@@H]1C[C@H]1NCCC2=CC(OC)=C(OC)C=C12 JROGBPMEKVAPEH-GXGBFOEMSA-N CCC1CN2CCC3=C(C=C(OC)C(OC)=C3)C2CC1CC1NCCC2=CC(OC)=C(OC)C=C12 TR-043 IS IS IS IS Yes 94-20-2 Chlorpropamide DTXSID9020322 CCCNC(=O)NS(=O)(=O)C1=CC=C(Cl)C=C1 RKWGIWYCVPQPMF-UHFFFAOYSA-N CCCNC(=O)NS(=O)(=O)C1=CC=C(Cl)C=C1 TR-045 NE NE NE NE Yes 536-33-4 Ethionamide DTXSID0020577 CCC1=NC=CC(=C1)C(N)=S AEOCXXJPGCBFJA-UHFFFAOYSA-N CCC1=NC=CC(=C1)C(N)=S TR-046 NE NE NE NE Yes 139-65-1 "4,4'-Thiodianiline" DTXSID9021344 NC1=CC=C(SC2=CC=C(N)C=C2)C=C1 ICNFHJVPAJKPHW-UHFFFAOYSA-N NC1=CC=C(SC2=CC=C(N)C=C2)C=C1 TR-047 P P P P Yes 98-96-4 Pyrazinamide DTXSID9021215 NC(=O)C1=NC=CN=C1 IPEHBUMCGVEMRF-UHFFFAOYSA-N NC(=O)C1=NC=CN=C1 TR-048 NE NE NE IS Yes 7008-42-6 Acronycine DTXSID0020026 COC1=CC2=C(C=CC(C)(C)O2)C2=C1C(=O)C1=C(C=CC=C1)N2C SMPZPKRDRQOOHT-UHFFFAOYSA-N COC1=CC2=C(C=CC(C)(C)O2)C2=C1C(=O)C1=C(C=CC=C1)N2C TR-049 P P IS IS No 968-81-0 Acetohexamide DTXSID7020007 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1 VGZSUPCWNCWDAN-UHFFFAOYSA-N CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1 TR-050 NE NE NE NE Yes 1156-19-0 Tolazamide DTXSID3021358 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CCCCCC1 OUDSBRTVNLOZBN-UHFFFAOYSA-N CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CCCCCC1 TR-051 NE NE NE NE Yes 504-88-1 3-Nitropropionic acid DTXSID1020982 OC(=O)CC[N+]([O-])=O WBLZUCOIBUDNBV-UHFFFAOYSA-N OC(=O)CC[N+]([O-])=O TR-052 EE NE NE NE Yes 121-66-4 2-Amino-5-nitrothiazole DTXSID6020066 NC1=NC=C(S1)[N+]([O-])=O MIHADVKEHAFNPG-UHFFFAOYSA-N NC1=NC=C(S1)[N+]([O-])=O TR-053 P NE NE NE Yes 121-14-2 "2,4-Dinitrotoluene" DTXSID0020529 CC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O RMBFBMJGBANMMK-UHFFFAOYSA-N CC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O TR-054 P P NE NE Yes 107-06-2 "1,2-Dichloroethane" DTXSID6020438 ClCCCl WSLDOOZREJYCGB-UHFFFAOYSA-N ClCCCl TR-055 P P P P Yes 1212-29-9 "N,N'-Dicyclohexylthiourea" DTXSID9020451 S=C(NC1CCCCC1)NC1CCCCC1 KAJICSGLHKRDLN-UHFFFAOYSA-N S=C(NC1CCCCC1)NC1CCCCC1 TR-056 NE NE NE NE Yes 789-61-7 beta-Thioguanidine deoxyriboside DTXSID4021345 NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](CO)O2)C(=S)N1 SCVJRXQHFJXZFZ-KVQBGUIXSA-N NC1=NC(=S)C2=C(N1)N(C=N2)C1CC(O)C(CO)O1 TR-057 EE P IS IS No 52-24-4 tris(Aziridinyl)-phosphine sulfide (thio-tepa) DTXSID0021339 S=P(N1CC1)(N1CC1)N1CC1 FOCVUCIESVLUNU-UHFFFAOYSA-N S=P(N1CC1)(N1CC1)N1CC1 TR-058 P P P P Yes 22966-79-6 Estradiol mustard DTXSID5020574 C[C@]12CC[C@H]3[C@@H](CCC4=CC(OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)=CC=C34)[C@@H]1CC[C@@H]2OC(=O)CC1=CC=C(C=C1)N(CCCl)CCCl LRSFXIJGHRPOQQ-VZRQQIPSSA-N CC12CCC3C(CCC4=C3C=CC(OC(=O)CC3=CC=C(C=C3)N(CCCl)CCCl)=C4)C1CCC2OC(=O)CC1=CC=C(C=C1)N(CCCl)CCCl TR-059 NE NE P P No 10/9/3546 Phenesterin DTXSID6021119 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CC1=CC=C(C=C1)N(CCCl)CCCl SPJCRMJCFSJKDE-ZWBUGVOYSA-N CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CC1=CC=C(C=C1)N(CCCl)CCCl TR-060 NE P P P No 82-68-8 Pentachloronitrobenzene DTXSID2021105 [O-][N+](=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl LKPLKUMXSAEKID-UHFFFAOYSA-N [O-][N+](=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl TR-061 NE NE NE NE Yes 115-29-7 Endosulfan DTXSID1020560 ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl RDYMFSUJUZBWLH-UHFFFAOYSA-N ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl TR-062 IS NE IS NE Yes 95-83-0 4-Chloro-o-phenylenediamine DTXSID5020283 NC1=C(N)C=C(Cl)C=C1 BXIXXXYDDJVHDL-UHFFFAOYSA-N NC1=C(N)C=C(Cl)C=C1 TR-063 P P P P Yes 86-57-7 1-Nitronaphthalene DTXSID7020978 [O-][N+](=O)C1=C2C=CC=CC2=CC=C1 RJKGJBPXVHTNJL-UHFFFAOYSA-N [O-][N+](=O)C1=C2C=CC=CC2=CC=C1 TR-064 NE NE NE NE Yes 76-06-2 Chloropicrin DTXSID0020315 [O-][N+](=O)C(Cl)(Cl)Cl LFHISGNCFUNFFM-UHFFFAOYSA-N [O-][N+](=O)C(Cl)(Cl)Cl TR-065 IS IS NE NE Yes 75-34-3 "1,1-Dichloroethane" DTXSID1020437 CC(Cl)Cl SCYULBFZEHDVBN-UHFFFAOYSA-N CC(Cl)Cl TR-066 NE EE NE EE Yes 8003-03-0 "Aspirin, phenacetin, and caffeine" DTXSID0020109 - - - TR-067 NE EE NE NE No 67-72-1 Hexachloroethane DTXSID7020689 ClC(Cl)(Cl)C(Cl)(Cl)Cl VHHHONWQHHHLTI-UHFFFAOYSA-N ClC(Cl)(Cl)C(Cl)(Cl)Cl TR-068 NE NE P P Yes 86-50-0 Azinphosmethyl DTXSID3020122 COP(=S)(OC)SCN1N=NC2=C(C=CC=C2)C1=O CJJOSEISRRTUQB-UHFFFAOYSA-N COP(=S)(OC)SCN1N=NC2=C(C=CC=C2)C1=O TR-069 EE NE NE NE Yes 56-38-2 Parathion DTXSID7021100 CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O LCCNCVORNKJIRZ-UHFFFAOYSA-N CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O TR-070 EE EE NE NE Yes 73-22-3 L-Tryptophan DTXSID5021419 N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O QIVBCDIJIAJPQS-VIFPVBQESA-N NC(CC1=CNC2=CC=CC=C12)C(O)=O TR-071 NE NE NE NE Yes 63-92-3 Phenoxybenzamine hydrochloride DTXSID0021127 Cl.CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1 VBCPVIWPDJVHAN-UHFFFAOYSA-N CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1 TR-072 P P P P Yes 107-05-1 Allyl chloride DTXSID4039231 ClCC=C OSDWBNJEKMUWAV-UHFFFAOYSA-N ClCC=C TR-073 NE NE EE EE Yes 79-00-5 "1,1,2-Trichloroethane" DTXSID5021380 ClCC(Cl)Cl UBOXGVDOUJQMTN-UHFFFAOYSA-N ClCC(Cl)Cl TR-074 NE NE P P Yes 510-15-6 Chlorobenzilate DTXSID9020299 CCOC(=O)C(O)(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 RAPBNVDSDCTNRC-UHFFFAOYSA-N CCOC(=O)C(O)(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 TR-075 EE EE P P Yes 126-72-7 "tris(2,3-Dibromopropyl) phosphate" DTXSID5021413 BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr PQYJRMFWJJONBO-UHFFFAOYSA-N BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr TR-076 P P P P Yes 58-14-0 Pyrimethamine DTXSID9021217 CCC1=NC(N)=NC(N)=C1C1=CC=C(Cl)C=C1 WKSAUQYGYAYLPV-UHFFFAOYSA-N CCC1=NC(N)=NC(N)=C1C1=CC=C(Cl)C=C1 TR-077 NE NE IS NE Yes 21416-87-5 ICRF-159 DTXSID0020733 CC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1 BMKDZUISNHGIBY-UHFFFAOYSA-N CC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1 TR-078 NE P NE P No 123-91-1 "1,4-Dioxane" DTXSID4020533 C1COCCO1 RYHBNJHYFVUHQT-UHFFFAOYSA-N C1COCCO1 TR-080 P P P P Yes 512-56-1 Trimethylphosphate DTXSID1021403 COP(=O)(OC)OC WVLBCYQITXONBZ-UHFFFAOYSA-N COP(=O)(OC)OC TR-081 P NE NE P Yes 101-54-2 N-Phenyl-p-phenylenediamine DTXSID7025895 NC1=CC=C(NC2=CC=CC=C2)C=C1 ATGUVEKSASEFFO-UHFFFAOYSA-N NC1=CC=C(NC2=CC=CC=C2)C=C1 TR-082 NE NE NE NE Yes 1596-84-5 Daminozide DTXSID9020370 CN(C)NC(=O)CCC(O)=O NOQGZXFMHARMLW-UHFFFAOYSA-N CN(C)NC(=O)CCC(O)=O TR-083 NE P EE NE Yes 39156-41-7 "2,4-Diaminoanisole sulfate" DTXSID7020398 OS(O)(=O)=O.COC1=C(N)C=C(N)C=C1 FDJQHYWUHGBBTO-UHFFFAOYSA-N COC1=CC=C(N)C=C1N TR-084 P P P P Yes 5131-60-2 4-Chloro-m-phenylenediamine DTXSID0020282 NC1=CC(N)=C(Cl)C=C1 ZWUBBMDHSZDNTA-UHFFFAOYSA-N NC1=CC(N)=C(Cl)C=C1 TR-085 P NE NE P Yes 106-93-4 "1,2-Dibromoethane" DTXSID3020415 BrCCBr PAAZPARNPHGIKF-UHFFFAOYSA-N BrCCBr TR-086 P P P P Yes 95-14-7 "1,2,3-Benzotriazole" DTXSID6020147 N1N=NC2=C1C=CC=C2 QRUDEWIWKLJBPS-UHFFFAOYSA-N N1N=NC2=C1C=CC=C2 TR-088 EE EE NE EE Yes 134-29-2 o-Anisidine hydrochloride DTXSID8020092 Cl.COC1=C(N)C=CC=C1 XCZCWGVXRBJCCD-UHFFFAOYSA-N COC1=CC=CC=C1N TR-089 P P P P Yes 115-32-2 Dicofol DTXSID4020450 OC(C1=CC=C(Cl)C=C1)(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl UOAMTSKGCBMZTC-UHFFFAOYSA-N OC(C1=CC=C(Cl)C=C1)(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl TR-090 NE NE P NE Yes 1420-04-8 Clonitralid DTXSID3020338 NCCO.OC1=C(C=C(Cl)C=C1)C(=O)NC1=CC=C(C=C1Cl)[N+]([O-])=O XYCDHXSQODHSLG-UHFFFAOYSA-N OC1=C(C=C(Cl)C=C1)C(=O)NC1=CC=C(C=C1Cl)[N+]([O-])=O TR-091 NE EE IS NE No 122-66-7 Hydrazobenzene DTXSID7020710 N(NC1=CC=CC=C1)C1=CC=CC=C1 YBQZXXMEJHZYMB-UHFFFAOYSA-N N(NC1=CC=CC=C1)C1=CC=CC=C1 TR-092 P P NE P Yes 6109-97-3 3-Amino-9-ethylcarbazole HCl DTXSID2020054 Cl.CCN1C2=CC=CC=C2C2=C1C=CC(N)=C2 UUYSTZWIFZYHRM-UHFFFAOYSA-N CCN1C2=C(C=CC=C2)C2=C1C=CC(N)=C2 TR-093 P P P P Yes 119-34-6 4-Amino-2-nitrophenol DTXSID6020064 NC1=CC(=C(O)C=C1)[N+]([O-])=O WHODQVWERNSQEO-UHFFFAOYSA-N NC1=CC(=C(O)C=C1)[N+]([O-])=O TR-094 P EE NE NE Yes 6959-48-4 3-Chloromethylpyridine hydrochloride DTXSID6020309 Cl.ClCC1=CC=CN=C1 UZGLOGCJCWBBIV-UHFFFAOYSA-N ClCC1=CC=CN=C1 TR-095 P EE P P Yes 56-72-4 Coumaphos DTXSID2020347 CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(C)=C(Cl)C(=O)O2 BXNANOICGRISHX-UHFFFAOYSA-N CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(C)=C(Cl)C(=O)O2 TR-096 NE NE NE NE Yes 13463-67-7 Titanium dioxide DTXSID3021352 [O--].[O--].[Ti+4] SOQBVABWOPYFQZ-UHFFFAOYSA-N - TR-097 NE NE NE NE No 15356-70-4 DL-menthol DTXSID1020805 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O NOOLISFMXDJSKH-KXUCPTDWSA-N CC(C)C1CCC(C)CC1O TR-098 NE NE NE NE No 136-40-3 Phenazopyridine hydrochloride DTXSID1021118 Cl.NC1=CC=C(N=NC2=CC=CC=C2)C(N)=N1 QQBPIHBUCMDKFG-UHFFFAOYSA-N NC1=CC=C(N=NC2=CC=CC=C2)C(N)=N1 TR-099 P P NE P Yes 135-20-6 Cupferron DTXSID1020352 [NH4+].[O-]N(N=O)C1=CC=CC=C1 GDEBSAWXIHEMNF-UHFFFAOYSA-O ON(N=O)C1=CC=CC=C1 TR-100 P P P P Yes 140-56-7 Formulated fenaminosulf DTXSID6040371 [Na+].CN(C)C1=CC=C(C=C1)N=NS([O-])(=O)=O IWDQPCIQCXRBQP-UHFFFAOYSA-M CN(C)C1=CC=C(C=C1)N=NS(O)(=O)=O TR-101 NE NE NE NE Yes 77-79-2 3-Sulfolene DTXSID6021294 O=S1(=O)CC=CC1 MBDNRNMVTZADMQ-UHFFFAOYSA-N O=S1(=O)CC=CC1 TR-102 NE NE NE NE Yes 55-38-9 Fenthion DTXSID8020620 COP(=S)(OC)OC1=CC(C)=C(SC)C=C1 PNVJTZOFSHSLTO-UHFFFAOYSA-N COP(=S)(OC)OC1=CC(C)=C(SC)C=C1 TR-103 NE NE EE NE Yes 101-05-3 Anilazine DTXSID9020089 ClC1=CC=CC=C1NC1=NC(Cl)=NC(Cl)=N1 IMHBYKMAHXWHRP-UHFFFAOYSA-N ClC1=CC=CC=C1NC1=NC(Cl)=NC(Cl)=N1 TR-104 NE NE NE NE Yes 102-50-1 m-Cresidine DTXSID2020349 COC1=CC(C)=C(N)C=C1 CDGNLUSBENXDGG-UHFFFAOYSA-N COC1=CC(C)=C(N)C=C1 TR-105 P P IS NE Yes 75-69-4 Trichlorofluoromethane DTXSID5021384 FC(Cl)(Cl)Cl CYRMSUTZVYGINF-UHFFFAOYSA-N FC(Cl)(Cl)Cl TR-106 IS IS NE NE Yes 99-55-8 5-Nitro-o-toluidine DTXSID4020959 CC1=C(N)C=C(C=C1)[N+]([O-])=O DSBIJCMXAIKKKI-UHFFFAOYSA-N CC1=C(N)C=C(C=C1)[N+]([O-])=O TR-107 NE NE P P Yes 16071-86-6 C.I. Direct brown 95 DTXSID3020201 [Na+].[Na+].[Cu++].OC1=CC=C(\N=N\C2=C([O-])C=CC(=C2)S([O-])(=O)=O)C([O-])=C1N=NC1=CC=C(C=C1)C1=CC=C(C=C1)N=NC1=CC(C([O-])=O)=C(O)C=C1 HZBTZQVWJPRVDN-NQSQUIFHSA-J OC(=O)C1=CC(=CC=C1O)N=NC1=CC=C(C=C1)C1=CC=C(C=C1)N=NC1=C(O)C(=CC=C1O)N=NC1=CC(=CC=C1O)S(O)(=O)=O TR-108 NE P NT NT No 1937-37-7 C.I. Direct black 38 DTXSID7020184 [Na+].[Na+].NC1=CC(N)=C(C=C1)\N=N\C1=CC=C(C=C1)C1=CC=C(C=C1)\N=N\C1=C(C=C2C=C(C(\N=N\C3=CC=CC=C3)=C(O)C2=C1N)S([O-])(=O)=O)S([O-])(=O)=O XRPLBRIHZGVJIC-UVHCWRHYSA-L NC1=CC(N)=C(C=C1)N=NC1=CC=C(C=C1)C1=CC=C(C=C1)N=NC1=C(C=C2C=C(C(N=NC3=CC=CC=C3)=C(O)C2=C1N)S(O)(=O)=O)S(O)(=O)=O TR-108 P P NT NT Yes 2602-46-2 C.I. Direct blue 6 DTXSID2020185 [Na+].[Na+].[Na+].[Na+].NC1=CC(=CC2=CC(=C(\N=N\C3=CC=C(C=C3)C3=CC=C(C=C3)\N=N/C3=C(C=C4C=C(C=C(N)C4=C3O)S([O-])(=O)=O)S([O-])(=O)=O)C(O)=C12)S([O-])(=O)=O)S([O-])(=O)=O MPCYPRXRVWZKGF-GAKUMYFHSA-J NC1=CC(=CC2=CC(=C(N=NC3=CC=C(C=C3)C3=CC=C(C=C3)N=NC3=C(O)C4=C(N)C=C(C=C4C=C3S(O)(=O)=O)S(O)(=O)=O)C(O)=C12)S(O)(=O)=O)S(O)(=O)=O TR-108 P P NT NT No 619-17-0 4-Nitroanthranilic acid DTXSID8020963 NC1=C(C=CC(=C1)[N+]([O-])=O)C(O)=O UEALKTCRMBVTFN-UHFFFAOYSA-N NC1=C(C=CC(=C1)[N+]([O-])=O)C(O)=O TR-109 NE NE NE NE Yes 75-47-8 Iodoform DTXSID4020743 IC(I)I OKJPEAGHQZHRQV-UHFFFAOYSA-N IC(I)I TR-110 NE NE NE NE Yes 82-28-0 1-Amino-2-methylanthraquinone DTXSID7020057 CC1=CC=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C1N ZLCUIOWQYBYEBG-UHFFFAOYSA-N CC1=CC=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C1N TR-111 P P NE P Yes 17026-81-2 3-Amino-4-ethoxyacetanilide DTXSID7020053 CCOC1=C(N)C=C(NC(C)=O)C=C1 XTXFAVHDQCHWCS-UHFFFAOYSA-N CCOC1=C(N)C=C(NC(C)=O)C=C1 TR-112 NE NE P NE Yes 61702-44-1 2-Chloro-p-phenylenediamine sulfate DTXSID0020284 OS(O)(=O)=O.NC1=CC=C(N)C(Cl)=C1 GQFGHCRXPLROOF-UHFFFAOYSA-N NC1=CC=C(N)C(Cl)=C1 TR-113 NE NE NE NE Yes 2438-88-2 "2,3,5,6-Tetrachloro-4-nitroanisole" DTXSID2021313 COC1=C(Cl)C(Cl)=C(C(Cl)=C1Cl)[N+]([O-])=O BGPPUXMKKQMWLV-UHFFFAOYSA-N COC1=C(Cl)C(Cl)=C(C(Cl)=C1Cl)[N+]([O-])=O TR-114 NE NE NE NE No 95-06-7 Sulfallate DTXSID7021289 CCN(CC)C(=S)SCC(Cl)=C XJCLWVXTCRQIDI-UHFFFAOYSA-N CCN(CC)C(=S)SCC(Cl)=C TR-115 P P P P Yes 20265-97-8 p-Anisidine hydrochloride DTXSID3020093 Cl.COC1=CC=C(N)C=C1 VQYJLACQFYZHCO-UHFFFAOYSA-N COC1=CC=C(N)C=C1 TR-116 EE NE NE NE Yes 94-52-0 6-Nitrobenzimidazole DTXSID8020965 [O-][N+](=O)C1=CC2=C(NC=N2)C=C1 XPAZGLFMMUODDK-UHFFFAOYSA-N [O-][N+](=O)C1=CC2=C(NC=N2)C=C1 TR-117 NE NE P P Yes 602-87-9 5-Nitroacenaphthene DTXSID3020960 [O-][N+](=O)C1=CC=C2CCC3=CC=CC1=C23 CUARLQDWYSRQDF-UHFFFAOYSA-N [O-][N+](=O)C1=CC=C2CCC3=CC=CC1=C23 TR-118 P P NE P Yes 51-03-6 Piperonyl butoxide DTXSID1021166 CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC FIPWRIJSWJWJAI-UHFFFAOYSA-N CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC TR-120 NE NE NE NE Yes 120-61-6 Dimethyl terephthalate DTXSID0020498 COC(=O)C1=CC=C(C=C1)C(=O)OC WOZVHXUHUFLZGK-UHFFFAOYSA-N COC(=O)C1=CC=C(C=C1)C(=O)OC TR-121 NE NE EE NE Yes 262-12-4 Dibenzo-p-dioxin DTXSID8020410 O1C2=CC=CC=C2OC2=C1C=CC=C2 NFBOHOGPQUYFRF-UHFFFAOYSA-N O1C2=CC=CC=C2OC2=C1C=CC=C2 TR-122 NE NE NE NE Yes 33857-26-0 "2,7-Dichlorodibenzo-p-dioxin" DTXSID1020435 ClC1=CC2=C(OC3=C(O2)C=CC(Cl)=C3)C=C1 NBFMTHWVRBOVPE-UHFFFAOYSA-N ClC1=CC2=C(OC3=C(O2)C=CC(Cl)=C3)C=C1 TR-123 NE NE EE NE No 120-62-7 Piperonyl sulfoxide DTXSID1021168 CCCCCCCCS(=O)C(C)CC1=CC2=C(OCO2)C=C1 ATTZFSUZZUNHBP-UHFFFAOYSA-N CCCCCCCCS(=O)C(C)CC1=CC2=C(OCO2)C=C1 TR-124 NE NE P NE Yes 78-34-2 Dioxathion DTXSID9020534 CCOP(=S)(OCC)SC1OCCOC1SP(=S)(OCC)OCC VBKKVDGJXVOLNE-UHFFFAOYSA-N CCOP(=S)(OCC)SC1OCCOC1SP(=S)(OCC)OCC TR-125 NE NE NE NE No 6369-59-1 "2,5-Toluenediamine sulfate" DTXSID9020405 - - - TR-126 NE NE NE NE No 99-59-2 5-Nitro-o-anisidine DTXSID0020943 COC1=C(N)C=C(C=C1)[N+]([O-])=O NIPDVSLAMPAWTP-UHFFFAOYSA-N COC1=C(N)C=C(C=C1)[N+]([O-])=O TR-127 P P EE P Yes 91-93-0 "3,3'-Dimethoxybenzidine-4,4'-diisocyanate" DTXSID6020484 COC1=C(C=CC(=C1)C1=CC(OC)=C(C=C1)N=C=O)N=C=O QZWKEPYTBWZJJA-UHFFFAOYSA-N COC1=C(C=CC(=C1)C1=CC(OC)=C(C=C1)N=C=O)N=C=O TR-128 P P NE NE Yes 2489-77-2 Trimethylthiourea DTXSID6021404 CNC(=S)N(C)C JAEZSIYNWDWMMN-UHFFFAOYSA-N CNC(=S)N(C)C TR-129 NE P NE NE Yes 142-04-1 Aniline hydrochloride DTXSID3020091 Cl.NC1=CC=CC=C1 MMCPOSDMTGQNKG-UHFFFAOYSA-N NC1=CC=CC=C1 TR-130 P P NE NE Yes 72-54-8 Tetrachlorodiphenylethane DTXSID4020373 ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 AHJKRLASYNVKDZ-UHFFFAOYSA-N ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 TR-131 EE NE NE NE Yes 50-29-3 Dichlorodiphenyltrichloroethane (DDT) DTXSID4020375 ClC1=CC=C(C=C1)C(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl YVGGHNCTFXOJCH-UHFFFAOYSA-N ClC1=CC=C(C=C1)C(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl TR-131 NE NE NE NE Yes 72-55-9 "p,p'-Dichlorodiphenyl dichloroethylene" DTXSID9020374 ClC(Cl)=C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 UCNVFOCBFJOQAL-UHFFFAOYSA-N ClC(Cl)=C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 TR-131 NE NE P P Yes 142-46-1 "2,5-Dithiobiurea" DTXSID8020545 NC(=S)NNC(N)=S KCOYHFNCTWXETP-UHFFFAOYSA-N NC(=S)NNC(N)=S TR-132 NE NE NE EE Yes 1777-84-0 3-Nitro-p-acetophenetide DTXSID5020942 CCOC1=C(C=C(NC(C)=O)C=C1)[N+]([O-])=O UOIPFPSGIAWJAQ-UHFFFAOYSA-N CCOC1=C(C=C(NC(C)=O)C=C1)[N+]([O-])=O TR-133 NE NE P NE No 128-66-5 C.I. Vat yellow 4 DTXSID6021454 O=C1C2=CC=CC=C2C2=CC=C3C(=O)C4=CC=CC=C4C4=CC=C1C2=C34 ZTWQZJLUUZHJGS-UHFFFAOYSA-N O=C1C2=CC=CC=C2C2=CC=C3C(=O)C4=CC=CC=C4C4=CC=C1C2=C34 TR-134 NE NE P NE No 1634-78-2 Malaoxon DTXSID9020790 CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC WSORODGWGUUOBO-UHFFFAOYSA-N CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC TR-135 NE NE NE NE Yes 116-06-3 Aldicarb DTXSID0039223 CNC(=O)ON=CC(C)(C)SC QGLZXHRNAYXIBU-UHFFFAOYSA-N CNC(=O)ON=CC(C)(C)SC TR-136 NE NE NE NE Yes 333-41-5 Diazinon DTXSID9020407 CCOP(=S)(OCC)OC1=NC(=NC(C)=C1)C(C)C FHIVAFMUCKRCQO-UHFFFAOYSA-N CCOP(=S)(OCC)OC1=NC(=NC(C)=C1)C(C)C TR-137 NE NE NE NE Yes 127-69-5 Sulfisoxazole DTXSID6021292 CC1=NOC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1C NHUHCSRWZMLRLA-UHFFFAOYSA-N CC1=NOC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1C TR-138 NE NE NE NE Yes 76-87-9 Triphenyltin hydroxide DTXSID1021409 O[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 BFWMWWXRWVJXSE-UHFFFAOYSA-M - TR-139 NE NE NE NE Yes 1955-45-9 Pivalolactone DTXSID0021171 CC1(C)COC1=O ULKFLOVGORAZDI-UHFFFAOYSA-N CC1(C)COC1=O TR-140 P P NE NE No 89-25-8 1-Phenyl-3-methyl-5-pyrazolone DTXSID9021130 CC1=NN(C(=O)C1)C1=CC=CC=C1 QELUYTUMUWHWMC-UHFFFAOYSA-N CC1=NN(C(=O)C1)C1=CC=CC=C1 TR-141 NE NE NE NE Yes 120-71-8 p-Cresidine DTXSID1020350 COC1=CC=C(C)C=C1N WXWCDTXEKCVRRO-UHFFFAOYSA-N COC1=CC=C(C)C=C1N TR-142 P P P P Yes 2243-62-1 "1,5-Naphthalenediamine" DTXSID3020916 NC1=CC=CC2=C(N)C=CC=C12 KQSABULTKYLFEV-UHFFFAOYSA-N NC1=CC=CC2=C(N)C=CC=C12 TR-143 NE P P P Yes 117-79-3 2-Aminoanthraquinone DTXSID6020068 NC1=CC=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C1 XOGPDSATLSAZEK-UHFFFAOYSA-N NC1=CC=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C1 TR-144 P IS P P Yes 95-74-9 3-Chloro-p-toluidine DTXSID0020286 CC1=C(Cl)C=C(N)C=C1 RQKFYFNZSHWXAW-UHFFFAOYSA-N CC1=C(Cl)C=C(N)C=C1 TR-145 NE NE NE NE Yes 139-94-6 Nithiazide DTXSID1020936 CCNC(=O)NC1=NC=C(S1)[N+]([O-])=O FQSUTLQHSDLLAN-UHFFFAOYSA-N CCNC(=O)NC1=NC=C(S1)[N+]([O-])=O TR-146 NE P P EE No 315-18-4 Mexacarbate DTXSID7020893 CNC(=O)OC1=CC(C)=C(N(C)C)C(C)=C1 YNEVBPNZHBAYOA-UHFFFAOYSA-N CNC(=O)OC1=CC(C)=C(N(C)C)C(C)=C1 TR-147 NE NE NE NE Yes 103-85-5 1-Phenyl-2-thiourea DTXSID9021134 NC(=S)NC1=CC=CC=C1 FULZLIGZKMKICU-UHFFFAOYSA-N NC(=S)NC1=CC=CC=C1 TR-148 NE NE NE NE Yes 105-55-5 "N,N'-Diethylthiourea" DTXSID8020466 CCNC(=S)NCC FLVIGYVXZHLUHP-UHFFFAOYSA-N CCNC(=S)NCC TR-149 P P NE NE Yes 128-37-0 Butylated hydroxytoluene DTXSID2020216 CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C NLZUEZXRPGMBCV-UHFFFAOYSA-N CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C TR-150 NE NE NE NE Yes 19010-66-3 Lead dimethyldithiocarbamate DTXSID6020775 CN(C)C(=S)S[Pb]SC(=S)N(C)C QGTHALAWFUFVCU-UHFFFAOYSA-L - TR-151 NE NE NE NE No 20941-65-5 Ethyl tellurac DTXSID3020594 CCN(CC)C(=S)S[Te](SC(=S)N(CC)CC)(SC(=S)N(CC)CC)SC(=S)N(CC)CC DADTZHAWDPZVFJ-UHFFFAOYSA-N - TR-152 EE NE EE EE No 636-21-5 o-Toluidine hydrochloride DTXSID7021364 Cl.CC1=CC=CC=C1N OGVXWEOZQMAAIM-UHFFFAOYSA-N CC1=C(N)C=CC=C1 TR-153 P P P P Yes 103-33-3 Azobenzene DTXSID8020123 C1=CC=C(C=C1)N=NC1=CC=CC=C1 DMLAVOWQYNRWNQ-UHFFFAOYSA-N C1=CC=C(C=C1)N=NC1=CC=CC=C1 TR-154 P P NE NE Yes 88-06-2 "2,4,6-Trichlorophenol" DTXSID5021386 OC1=C(Cl)C=C(Cl)C=C1Cl LINPIYWFGCPVIE-UHFFFAOYSA-N OC1=C(Cl)C=C(Cl)C=C1Cl TR-155 P NE P P Yes 72-56-0 Di(p-ethylphenyl)dichloroethane DTXSID4020589 CCC1=CC=C(C=C1)C(C(Cl)Cl)C1=CC=C(CC)C=C1 QFMDFTQOJHFVNR-UHFFFAOYSA-N CCC1=CC=C(C=C1)C(C(Cl)Cl)C1=CC=C(CC)C=C1 TR-156 NE NE NE EE Yes 298-00-0 Methyl parathion DTXSID1020855 COP(=S)(OC)OC1=CC=C(C=C1)[N+]([O-])=O RLBIQVVOMOPOHC-UHFFFAOYSA-N COP(=S)(OC)OC1=CC=C(C=C1)[N+]([O-])=O TR-157 NE NE NE NE Yes 999-81-5 2-Chloroethyltrimethylammonium chloride DTXSID6020303 [Cl-].C[N+](C)(C)CCCl UHZZMRAGKVHANO-UHFFFAOYSA-M C[N+](C)(C)CCCl TR-158 NE NE NE NE Yes 85-44-9 Phthalic anhydride DTXSID2021159 O=C1OC(=O)C2=C1C=CC=C2 LGRFSURHDFAFJT-UHFFFAOYSA-N O=C1OC(=O)C2=C1C=CC=C2 TR-159 NE NE NE NE Yes 137-17-7 "2,4,5-Trimethylaniline" DTXSID9021398 CC1=CC(C)=C(N)C=C1C BMIPMKQAAJKBKP-UHFFFAOYSA-N CC1=CC(C)=C(N)C=C1C TR-160 P P EE P Yes 88-96-0 Phthalamide DTXSID7021158 NC(=O)C1=C(C=CC=C1)C(N)=O NAYYNDKKHOIIOD-UHFFFAOYSA-N NC(=O)C1=C(C=CC=C1)C(N)=O TR-161 NE NE NE NE Yes 95-80-7 "2,4-Diaminotoluene (2,4-toluene diamine)" DTXSID4020402 CC1=C(N)C=C(N)C=C1 VOZKAJLKRJDJLL-UHFFFAOYSA-N CC1=C(N)C=C(N)C=C1 TR-162 P P NE P Yes 156-62-7 Calcium cyanamide DTXSID6020353 [Ca++].[N--]C#N MYFXBBAEXORJNB-UHFFFAOYSA-N NC#N TR-163 NE NE NE NE No 86-30-6 N-Nitrosodiphenylamine DTXSID6021030 O=NN(C1=CC=CC=C1)C1=CC=CC=C1 UBUCNCOMADRQHX-UHFFFAOYSA-N O=NN(C1=CC=CC=C1)C1=CC=CC=C1 TR-164 P P NE NE Yes 3165-93-3 4-Chloro-o-toluidine hydrochloride DTXSID0020288 Cl.CC1=C(N)C=CC(Cl)=C1 VKYZDCTWJGBFDW-UHFFFAOYSA-N CC1=C(N)C=CC(Cl)=C1 TR-165 NE NE P P Yes 97-77-8 Tetraethylthiuram disulfide DTXSID1021322 CCN(CC)C(=S)SSC(=S)N(CC)CC AUZONCFQVSMFAP-UHFFFAOYSA-N CCN(CC)C(=S)SSC(=S)N(CC)CC TR-166 NE NE NE NE Yes 1465-25-4 N-(1-Naphthyl)ethylenediamine dihydrochloride DTXSID8020917 Cl.Cl.NCCNC1=C2C=CC=CC2=CC=C1 MZNYWPRCVDMOJG-UHFFFAOYSA-N NCCNC1=C2C=CC=CC2=CC=C1 TR-168 NE NE NE NE Yes 5307-14-2 2-Nitro-p-phenylenediamine DTXSID4020957 NC1=CC(=C(N)C=C1)[N+]([O-])=O HVHNMNGARPCGGD-UHFFFAOYSA-N NC1=CC(=C(N)C=C1)[N+]([O-])=O TR-169 NE NE NE P Yes 102-96-5 beta-Nitrostyrene DTXSID0025789 [O-][N+](=O)C=CC1=CC=CC=C1 PIAOLBVUVDXHHL-UHFFFAOYSA-N [O-][N+](=O)C=CC1=CC=CC=C1 TR-170 NE NE NE NE Yes 54150-69-5 "2,4-Dimethoxyaniline hydrochloride" DTXSID1020483 Cl.COC1=CC=C(N)C(OC)=C1 PFHRGNBFRBWOPD-UHFFFAOYSA-N COC1=CC=C(N)C(OC)=C1 TR-171 NE NE NE NE Yes 148-18-5 Sodium diethyldithiocarbamate DTXSID3022956 [Na+].CCN(CC)C([S-])=S IOEJYZSZYUROLN-UHFFFAOYSA-M CCN(CC)C(S)=S TR-172 NE NE NE NE Yes 77-65-6 Carbromal DTXSID8020252 CCC(Br)(CC)C(=O)NC(N)=O OPNPQXLQERQBBV-UHFFFAOYSA-N CCC(Br)(CC)C(=O)NC(N)=O TR-173 NE NE NE NE Yes 624-18-0 p-Phenylenediamine dihydrochloride DTXSID8021141 Cl.Cl.NC1=CC=C(N)C=C1 IYXMNTLBLQNMLM-UHFFFAOYSA-N NC1=CC=C(N)C=C1 TR-174 NE NE NE NE Yes 434-13-9 Lithocholic acid DTXSID6020779 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C SMEROWZSTRWXGI-HVATVPOCSA-N CC(CCC(O)=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C TR-175 NE NE NE NE Yes 140-49-8 4-(Chloroacetyl)acetanilide DTXSID4020294 CC(=O)NC1=CC=C(C=C1)C(=O)CCl VMMDOCYDNRLESP-UHFFFAOYSA-N CC(=O)NC1=CC=C(C=C1)C(=O)CCl TR-177 NE NE NE NE Yes 6959-47-3 2-Chloromethylpyridine hydrochloride DTXSID1020308 Cl.ClCC1=NC=CC=C1 JPMRGPPMXHGKRO-UHFFFAOYSA-N ClCC1=NC=CC=C1 TR-178 NE NE NE NE Yes 105-11-3 p-Benzoquinone dioxime DTXSID8021222 ON=C1C=CC(C=C1)=NO LNHURPJLTHSVMU-SFECMWDFSA-N O=NC1C=CC(C=C1)N=O TR-179 NE P NE NE Yes 99-56-9 4-Nitro-o-phenylenediamine DTXSID9020958 NC1=C(N)C=C(C=C1)[N+]([O-])=O RAUWPNXIALNKQM-UHFFFAOYSA-N NC1=C(N)C=C(C=C1)[N+]([O-])=O TR-180 NE NE NE NE Yes 90-94-8 Michler's ketone DTXSID2020894 CN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)C VVBLNCFGVYUYGU-UHFFFAOYSA-N CN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)C TR-181 P P P P Yes 1067-33-0 Dibutyltin diacetate DTXSID3020419 CCCC[Sn](CCCC)(OC(C)=O)OC(C)=O JJLKTTCRRLHVGL-UHFFFAOYSA-L - TR-183 NE IS NE NE Yes 1836-75-5 Nitrofen DTXSID7020970 [O-][N+](=O)C1=CC=C(OC2=C(Cl)C=C(Cl)C=C2)C=C1 XITQUSLLOSKDTB-UHFFFAOYSA-N [O-][N+](=O)C1=CC=C(OC2=C(Cl)C=C(Cl)C=C2)C=C1 TR-184 NE NE P P Yes 100-42-5 Styrene DTXSID2021284 C=CC1=CC=CC=C1 PPBRXRYQALVLMV-UHFFFAOYSA-N C=CC1=CC=CC=C1 TR-185 NE NE EE NE Yes 101-61-1 "4,4'-Methylenebis(N,N-dimethyl)benzenamine" DTXSID5020869 CN(C)C1=CC=C(CC2=CC=C(C=C2)N(C)C)C=C1 JNRLEMMIVRBKJE-UHFFFAOYSA-N CN(C)C1=CC=C(CC2=CC=C(C=C2)N(C)C)C=C1 TR-186 P P EE P Yes 95-79-4 5-Chloro-o-toluidine DTXSID5020287 CC1=CC=C(Cl)C=C1N WRZOMWDJOLIVQP-UHFFFAOYSA-N CC1=CC=C(Cl)C=C1N TR-187 NE NE P P Yes 106-47-8 p-Chloroaniline DTXSID9020295 NC1=CC=C(Cl)C=C1 QSNSCYSYFYORTR-UHFFFAOYSA-N NC1=CC=C(Cl)C=C1 TR-189 EE NE EE EE Yes 156-10-5 p-Nitrosodiphenylamine DTXSID1021031 O=NC1=CC=C(NC2=CC=CC=C2)C=C1 OIJHFHYPXWSVPF-UHFFFAOYSA-N O=NC1=CC=C(NC2=CC=CC=C2)C=C1 TR-190 P NE P NE Yes 108-60-1 bis(2-Chloro-1-methylethyl) ether DTXSID4020167 CC(CCl)OC(C)CCl QCFYJCYNJLBDRT-UHFFFAOYSA-N CC(CCl)OC(C)CCl TR-191 NE NE NT NT Yes 121-75-5 Malathion DTXSID4020791 CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC JXSJBGJIGXNWCI-UHFFFAOYSA-N CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC TR-192 NE NE NT NT Yes 50-55-5 Reserpine DTXSID7021237 [H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2 QEVHRUUCFGRFIF-MDEJGZGSSA-N COC1C(CC2CN3CCC4=C(NC5=C4C=CC(OC)=C5)C3CC2C1C(=O)OC)OC(=O)C1=CC(OC)=C(OC)C(OC)=C1 TR-193 P NE P P Yes 7446-34-6 Selenium sulfide DTXSID9021265 S=[Se] VIDTVPHHDGRGAF-UHFFFAOYSA-N - TR-194 P P NE P Yes 2164-17-2 Fluometuron DTXSID8020628 CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F RZILCCPWPBTYDO-UHFFFAOYSA-N CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F TR-195 NE NE EE NE Yes 87-29-6 Cinnamyl anthranilate DTXSID3020330 NC1=C(C=CC=C1)C(=O)OCC=CC1=CC=CC=C1 GABQNAFEZZDSCM-UHFFFAOYSA-N NC1=C(C=CC=C1)C(=O)OCC=CC1=CC=CC=C1 TR-196 P NE P P Yes 7446-34-6 Selenium sulfide DTXSID9021265 S=[Se] VIDTVPHHDGRGAF-UHFFFAOYSA-N - TR-197 NT NT NE NE Yes 57653-85-7 "1,2,3,6,7,8-Hexachlorodibenzo-p-dioxin" DTXSID0023824 ClC1=CC2=C(OC3=CC(Cl)=C(Cl)C(Cl)=C3O2)C(Cl)=C1Cl YCLUIPQDHHPDJJ-UHFFFAOYSA-N ClC1=CC2=C(OC3=CC(Cl)=C(Cl)C(Cl)=C3O2)C(Cl)=C1Cl TR-198 EE P P P Yes 15481-70-6 "2,6-Toluenediamine dihydrochloride (2,6-diaminotoluene dihydrochloride)" DTXSID4020404 Cl.Cl.CC1=C(N)C=CC=C1N LXIJUYQULXUMDO-UHFFFAOYSA-N CC1=C(N)C=CC=C1N TR-200 NE NE NE NE No 1746-01-6 "2,3,7,8-Tetrachlorodibenzo-p-dioxin" DTXSID2021315 ClC1=CC2=C(OC3=C(O2)C=C(Cl)C(Cl)=C3)C=C1Cl HGUFODBRKLSHSI-UHFFFAOYSA-N ClC1=CC2=C(OC3=C(O2)C=C(Cl)C(Cl)=C3)C=C1Cl TR-201 NT NT EE P Yes 57653-85-7 "1,2,3,6,7,8-Hexachlorodibenzo-p-dioxin" DTXSID0023824 ClC1=CC2=C(OC3=CC(Cl)=C(Cl)C(Cl)=C3O2)C(Cl)=C1Cl YCLUIPQDHHPDJJ-UHFFFAOYSA-N ClC1=CC2=C(OC3=CC(Cl)=C(Cl)C(Cl)=C3O2)C(Cl)=C1Cl TR-202 NT NT NE NE Yes 108-95-2 Phenol DTXSID5021124 OC1=CC=CC=C1 ISWSIDIOOBJBQZ-UHFFFAOYSA-N OC1=CC=CC=C1 TR-203 NE NE NE NE Yes 119-53-9 Benzoin DTXSID1020144 OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1 ISAOCJYIOMOJEB-UHFFFAOYSA-N OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1 TR-204 NE NE NE NE Yes 101-80-4 "4,4'-Oxydianiline" DTXSID0021094 NC1=CC=C(OC2=CC=C(N)C=C2)C=C1 HLBLWEWZXPIGSM-UHFFFAOYSA-N NC1=CC=C(OC2=CC=C(N)C=C2)C=C1 TR-205 P P P P Yes 96-12-8 "1,2-Dibromo-3-chloropropane" DTXSID3020413 ClCC(Br)CBr WBEJYOJJBDISQU-UHFFFAOYSA-N ClCC(Br)CBr TR-206 P P P P Yes 21739-91-3 Cytembena DTXSID5020368 [Na+].COC1=CC=C(C=C1)C(=O)C(\Br)=C/C([O-])=O DVDCIQWIGOVWEX-MLBSPLJJSA-M COC1=CC=C(C=C1)C(=O)C(Br)=CC(O)=O TR-207 P P NE NE Yes 2783-94-0 FD & C yellow no. 6 DTXSID6021456 [Na+].[Na+].OC1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C2=C(C=C1)C=C(C=C2)S([O-])(=O)=O OIQPTROHQCGFEF-UHFFFAOYSA-L OC1=CC=C2C=C(C=CC2=C1N=NC1=CC=C(C=C1)S(O)(=O)=O)S(O)(=O)=O TR-208 NE NE NE NE Yes 1746-01-6 "2,3,7,8-Tetrachlorodibenzo-p-dioxin" DTXSID2021315 ClC1=CC2=C(OC3=C(O2)C=C(Cl)C(Cl)=C3)C=C1Cl HGUFODBRKLSHSI-UHFFFAOYSA-N ClC1=CC2=C(OC3=C(O2)C=C(Cl)C(Cl)=C3)C=C1Cl TR-209 P P P P Yes 106-93-4 "1,2-Dibromoethane" DTXSID3020415 BrCCBr PAAZPARNPHGIKF-UHFFFAOYSA-N BrCCBr TR-210 P P P P Yes 1936-15-8 C.I. Acid orange 10 DTXSID6021082 [Na+].[Na+].OC1=C(\N=N\C2=CC=CC=C2)C2=C(C=C(C=C2C=C1)S([O-])(=O)=O)S([O-])(=O)=O HSXUHWZMNJHFRV-QIKYXUGXSA-L OC1=CC=C2C=C(C=C(C2=C1N=NC1=CC=CC=C1)S(O)(=O)=O)S(O)(=O)=O TR-211 NE NE NE NE Yes 103-23-1 Di(2-ethylhexyl)adipate DTXSID0020606 CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC SAOKZLXYCUGLFA-UHFFFAOYSA-N CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC TR-212 NE NE P P Yes 85-68-7 Butyl benzyl phthalate DTXSID3020205 CCCCOC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 IRIAEXORFWYRCZ-UHFFFAOYSA-N CCCCOC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 TR-213 IS P NE NE Yes 105-60-2 Caprolactam DTXSID4020240 O=C1CCCCCN1 JBKVHLHDHHXQEQ-UHFFFAOYSA-N O=C1CCCCCN1 TR-214 NE NE NE NE Yes 80-05-7 Bisphenol A DTXSID7020182 CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 IISBACLAFKSPIT-UHFFFAOYSA-N CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 TR-215 EE EE EE NE Yes 2432-99-7 11-Aminoundecanoic acid DTXSID5020077 NCCCCCCCCCCC(O)=O GUOSQNAUYHMCRU-UHFFFAOYSA-N NCCCCCCCCCCC(O)=O TR-216 P NE EE NE No 117-81-7 Di(2-ethylhexyl) phthalate DTXSID5020607 CCCCC(CC)COC(=O)C1=C(C=CC=C1)C(=O)OCC(CC)CCCC BJQHLKABXJIVAM-UHFFFAOYSA-N CCCCC(CC)COC(=O)C1=C(C=CC=C1)C(=O)OCC(CC)CCCC TR-217 P P P P Yes 609-20-1 "2,6-Dichloro-p-phenylenediamine" DTXSID7020427 NC1=CC(Cl)=C(N)C(Cl)=C1 HQCHAOKWWKLXQH-UHFFFAOYSA-N NC1=CC(Cl)=C(N)C(Cl)=C1 TR-219 NE NE P P Yes 3567-69-9 C.I. Acid red 14 DTXSID3021225 [Na+].[Na+].OC1=C(C=C(C2=C1C=CC=C2)S([O-])(=O)=O)\N=N\C1=C2C=CC=CC2=C(C=C1)S([O-])(=O)=O YSVBPNGJESBVRM-ZPZFBZIMSA-L OC1=C(C=C(C2=CC=CC=C12)S(O)(=O)=O)N=NC1=C2C=CC=CC2=C(C=C1)S(O)(=O)=O TR-220 NE NE NE NE No 9000-40-2 Locust bean gum DTXSID5020780 - - - TR-221 NE NE NE NE No 2832-40-8 C.I. Disperse yellow 3 DTXSID6021450 CC(=O)NC1=CC=C(C=C1)\N=N\C1=C(O)C=CC(C)=C1 PXOZAFXVEWKXED-ISLYRVAYSA-N CC(=O)NC1=CC=C(C=C1)N=NC1=C(O)C=CC(C)=C1 TR-222 P NE NE P Yes 97-53-0 Eugenol DTXSID9020617 COC1=C(O)C=CC(CC=C)=C1 RRAFCDWBNXTKKO-UHFFFAOYSA-N COC1=C(O)C=CC(CC=C)=C1 TR-223 NE NE EE EE Yes 39300-88-4 Tara gum DTXSID8021303 - - - TR-224 NE NE NE NE No 2/1/5160 D & C red no. 9 DTXSID3021229 [Ba++].CC1=CC(N=NC2=C3C=CC=CC3=CC=C2O)=C(C=C1Cl)S([O-])(=O)=O.CC1=CC(N=NC2=C3C=CC=CC3=CC=C2O)=C(C=C1Cl)S([O-])(=O)=O POJOORKDYOPQLS-UHFFFAOYSA-L - TR-225 P EE NE NE No 842-07-9 C.I. Solvent yellow 14 DTXSID4021135 OC1=CC=C2C=CC=CC2=C1N=NC1=CC=CC=C1 MRQIXHXHHPWVIL-UHFFFAOYSA-N OC1=CC=C2C=CC=CC2=C1N=NC1=CC=CC=C1 TR-226 P P NE NE Yes 9000-01-5 Gum Arabic DTXSID8020676 - - - TR-227 NE NE NE NE No 75-35-4 Vinylidene chloride DTXSID8021438 ClC(Cl)=C LGXVIGDEPROXKC-UHFFFAOYSA-N ClC(Cl)=C TR-228 NE NE NE NE Yes 9000-30-0 Guar gum DTXSID3020675 - - - TR-229 NE NE NE NE No 9002-18-0 Agar DTXSID9020037 - - - TR-230 NE NE NE NE No 7772-99-8 Stannous chloride DTXSID8021351 [Cl-].[Cl-].[Sn++] AXZWODMDQAVCJE-UHFFFAOYSA-L - TR-231 EE NE NE NE Yes 76-01-7 Pentachloroethane DTXSID7021104 ClC(Cl)C(Cl)(Cl)Cl BNIXVQGCZULYKV-UHFFFAOYSA-N ClC(Cl)C(Cl)(Cl)Cl TR-232 EE NE P P Yes 2185-92-4 2-Biphenylamine hydrochloride DTXSID4020163 Cl.NC1=C(C=CC=C1)C1=CC=CC=C1 QHYYXPLERUSFAV-UHFFFAOYSA-N NC1=C(C=CC=C1)C1=CC=CC=C1 TR-233 NE NE EE P No 57-06-7 Allyl isothiocyanate DTXSID3020047 C=CCN=C=S ZOJBYZNEUISWFT-UHFFFAOYSA-N C=CCN=C=S TR-234 P EE NE NE Yes 17924-92-4 Zearalenone DTXSID0021460 C[C@H]1CCCC(=O)CCC\C=C\C2=C(C(O)=CC(O)=C2)C(=O)O1 MBMQEIFVQACCCH-QBODLPLBSA-N CC1CCCC(=O)CCCC=CC2=CC(O)=CC(O)=C2C(=O)O1 TR-235 NE NE P P Yes 69-65-8 D-Mannitol DTXSID1023235 OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO FBPFZTCFMRRESA-KVTDHHQDSA-N OCC(O)C(O)C(O)C(O)CO TR-236 NE NE NE NE Yes 630-20-6 "1,1,1,2-Tetrachloroethane" DTXSID2021317 ClCC(Cl)(Cl)Cl QVLAWKAXOMEXPM-UHFFFAOYSA-N ClCC(Cl)(Cl)Cl TR-237 EE NE P P Yes 137-30-4 Ziram DTXSID0021464 [Zn++].CN(C)C([S-])=S.CN(C)C([S-])=S DUBNHZYBDBBJHD-UHFFFAOYSA-L - TR-238 P NE NE EE Yes 108-60-1 bis(2-Chloro-1-methylethyl) ether DTXSID4020167 CC(CCl)OC(C)CCl QCFYJCYNJLBDRT-UHFFFAOYSA-N CC(CCl)OC(C)CCl TR-239 NT NT P P Yes 121-79-9 Propyl gallate DTXSID5021201 CCCOC(=O)C1=CC(O)=C(O)C(O)=C1 ZTHYODDOHIVTJV-UHFFFAOYSA-N CCCOC(=O)C1=CC(O)=C(O)C(O)=C1 TR-240 EE NE EE NE Yes 131-17-9 Diallyl phthalate DTXSID7020392 C=CCOC(=O)C1=C(C=CC=C1)C(=O)OCC=C QUDWYFHPNIMBFC-UHFFFAOYSA-N C=CCOC(=O)C1=C(C=CC=C1)C(=O)OCC=C TR-242 NT NT EE EE Yes 79-01-6 Trichloroethylene DTXSID0021383 ClC=C(Cl)Cl XSTXAVWGXDQKEL-UHFFFAOYSA-N ClC=C(Cl)Cl TR-243 IS NE P P Yes 67774-32-7 Polybrominated biphenyl mixture (Firemaster FF-1) DTXSID0021173 - - - TR-244 P P P P Yes 108-78-1 Melamine DTXSID6020802 NC1=NC(N)=NC(N)=N1 JDSHMPZPIAZGSV-UHFFFAOYSA-N NC1=NC(N)=NC(N)=N1 TR-245 P NE NE NE Yes 50-81-7 L-Ascorbic acid DTXSID5020106 [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO CIWBSHSKHKDKBQ-JLAZNSOCSA-N OCC(O)C1OC(=O)C(=O)C1O TR-247 NE NE NE NE Yes 13552-44-8 "4,4'-Methylenedianiline dihydrochloride" DTXSID9020871 Cl.Cl.NC1=CC=C(CC2=CC=C(N)C=C2)C=C1 MXNNTNFLRICRPT-UHFFFAOYSA-N NC1=CC=C(CC2=CC=C(N)C=C2)C=C1 TR-248 P P P P No 140-11-4 Benzyl acetate DTXSID0020151 CC(=O)OCC1=CC=CC=C1 QUKGYYKBILRGFE-UHFFFAOYSA-N CC(=O)OCC1=CC=CC=C1 TR-250 EE NE SE SE Yes 26471-62-5 "2,4- & 2,6-Toluene diisocyanate" DTXSID0024341 - - - TR-251 P P NE P Yes 105-87-3 Geranyl acetate DTXSID0020654 CC(C)=CCC\C(C)=C\COC(C)=O HIGQPQRQIQDZMP-DHZHZOJOSA-N CC(C)=CCCC(C)=CCOC(C)=O TR-252 NE NE NE NE Yes 2835-39-4 Allyl isovalerate DTXSID4039233 CC(C)CC(=O)OCC=C HOMAGVUCNZNWBC-UHFFFAOYSA-N CC(C)CC(=O)OCC=C TR-253 P NE NE P Yes 95-50-1 "1,2-Dichlorobenzene (o-dichlorobenzene)" DTXSID6020430 ClC1=C(Cl)C=CC=C1 RFFLAFLAYFXFSW-UHFFFAOYSA-N ClC1=C(Cl)C=CC=C1 TR-255 NE NE NE NE Yes 101-90-6 Diglycidyl resorcinol ether (DGRE) DTXSID2020470 C(OC1=CC(OCC2CO2)=CC=C1)C1CO1 WPYCRFCQABTEKC-UHFFFAOYSA-N C(OC1=CC(OCC2CO2)=CC=C1)C1CO1 TR-257 P P P P Yes 140-88-5 Ethyl acrylate DTXSID4020583 CCOC(=O)C=C JIGUQPWFLRLWPJ-UHFFFAOYSA-N CCOC(=O)C=C TR-259 P P P P Yes 108-90-7 Chlorobenzene DTXSID4020298 ClC1=CC=CC=C1 MVPPADPHJFYWMZ-UHFFFAOYSA-N ClC1=CC=CC=C1 TR-261 EE NE NE NE Yes 78-87-5 "1,2-Dichloropropane (propylene dichloride)" DTXSID0020448 CC(Cl)CCl KNKRKFALVUDBJE-UHFFFAOYSA-N CC(Cl)CCl TR-263 NE EE SE SE Yes 150-68-5 Monuron DTXSID0020311 CN(C)C(=O)NC1=CC=C(Cl)C=C1 BMLIZLVNXIYGCK-UHFFFAOYSA-N CN(C)C(=O)NC1=CC=C(Cl)C=C1 TR-266 CE NE NE NE Yes 75-56-9 "1,2-Propylene oxide" DTXSID5021207 CC1CO1 GOOHAUXETOMSMM-UHFFFAOYSA-N CC1CO1 TR-267 SE SE CE CE No 542-75-6 "1,3-Dichloropropene (Telone II)" DTXSID1022057 ClCC=CCl UOORRWUZONOOLO-UHFFFAOYSA-N ClCC=CCl TR-269 CE SE IS CE Yes 2784-94-3 HC blue 1 DTXSID6020191 CNC1=C(C=C(C=C1)N(CCO)CCO)[N+]([O-])=O MWJSMPQOVHQYTE-UHFFFAOYSA-N CNC1=C(C=C(C=C1)N(CCO)CCO)[N+]([O-])=O TR-271 EE SE CE CE No 115-07-1 Propylene DTXSID5021205 CC=C QQONPFPTGQHPMA-UHFFFAOYSA-N CC=C TR-272 NE NE NE NE No 79-01-6 Trichloroethylene DTXSID0021383 ClC=C(Cl)Cl XSTXAVWGXDQKEL-UHFFFAOYSA-N ClC=C(Cl)Cl TR-273 IS IS NT NT Yes 79-01-6 Trichloroethylene DTXSID0021383 ClC=C(Cl)Cl XSTXAVWGXDQKEL-UHFFFAOYSA-N ClC=C(Cl)Cl TR-273 IS IS NT NT Yes 79-01-6 Trichloroethylene DTXSID0021383 ClC=C(Cl)Cl XSTXAVWGXDQKEL-UHFFFAOYSA-N ClC=C(Cl)Cl TR-273 IS IS NT NT Yes 79-01-6 Trichloroethylene DTXSID0021383 ClC=C(Cl)Cl XSTXAVWGXDQKEL-UHFFFAOYSA-N ClC=C(Cl)Cl TR-273 IS IS NT NT Yes 78-42-2 tris(2-Ethylhexyl)phosphate DTXSID0021414 CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC GTVWRXDRKAHEAD-UHFFFAOYSA-N CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC TR-274 EE NE NE SE Yes 107-07-3 2-Chloroethanol (ethylene chlorohydrin) DTXSID1021877 OCCCl SZIFAVKTNFCBPC-UHFFFAOYSA-N OCCCl TR-275 NE NE NE NE Yes 148-24-3 8-Hydroxyquinoline DTXSID5020730 OC1=CC=CC2=CC=CN=C12 MCJGNVYPOGVAJF-UHFFFAOYSA-N OC1=CC=CC2=CC=CN=C12 TR-276 NE NE NE NE Yes 14567-73-8 Tremolite DTXSID0030744 - - - TR-277 NE NE NT NT No 87-62-7 "2,6-Xylidine" DTXSID8026307 CC1=CC=CC(C)=C1N UFFBMTHBGFGIHF-UHFFFAOYSA-N CC1=CC=CC(C)=C1N TR-278 P P NT NT Yes 12172-73-5 "Asbestos, amosite + Dimethyl hydrazine" DTXSID5030741 - - - TR-279 IS IS NT NT Yes 12172-73-5 "Asbestos, amosite" DTXSID5030741 - - - TR-279 NE NE NT NT Yes 12001-28-4 "Asbestos, crocidolite" DTXSID5030743 - - - TR-280 NE NE NT NT No 1/4/2871 HC red 3 DTXSID2021236 NC1=CC(=C(NCCO)C=C1)[N+]([O-])=O GZGZVOLBULPDFD-UHFFFAOYSA-N NC1=CC(=C(NCCO)C=C1)[N+]([O-])=O TR-281 NE NE EE IS Yes 124-48-1 Chlorodibromomethane DTXSID1020300 ClC(Br)Br GATVIKZLVQHOMN-UHFFFAOYSA-N ClC(Br)Br TR-282 NE NE EE SE Yes 131-17-9 Diallyl phthalate DTXSID7020392 C=CCOC(=O)C1=C(C=CC=C1)C(=O)OCC=C QUDWYFHPNIMBFC-UHFFFAOYSA-N C=CCOC(=O)C1=C(C=CC=C1)C(=O)OCC=C TR-284 NE EE NT NT Yes 569-61-9 C.I. Basic red 9 monohydrochloride DTXSID1021247 Cl.NC1=CC=C(C=C1)C(C1=CC=C(N)C=C1)=C1C=CC(=N)C=C1 JUQPZRLQQYSMEQ-UHFFFAOYSA-N NC1=CC=C(C=C1)C(C1=CC=C(N)C=C1)=C1C=CC(=N)C=C1 TR-285 CE CE CE CE Yes 868-85-9 Dimethyl hydrogen phosphite DTXSID5020493 COP(=O)OC HZCDANOFLILNSA-UHFFFAOYSA-N COP(=O)OC TR-287 CE EE NE NE Yes 106-99-0 "1,3-Butadiene" DTXSID3020203 C=CC=C KAKZBPTYRLMSJV-UHFFFAOYSA-N C=CC=C TR-288 NT NT CE CE Yes 71-43-2 Benzene DTXSID3039242 C1=CC=CC=C1 UHOVQNZJYSORNB-UHFFFAOYSA-N C1=CC=CC=C1 TR-289 CE CE CE CE Yes 78-59-1 Isophorone DTXSID8020759 CC1=CC(=O)CC(C)(C)C1 HJOVHMDZYOCNQW-UHFFFAOYSA-N CC1=CC(=O)CC(C)(C)C1 TR-291 SE NE EE NE Yes 33229-34-4 HC blue 2 DTXSID6020193 OCCNC1=C(C=C(C=C1)N(CCO)CCO)[N+]([O-])=O MIWUTEVJIISHCP-UHFFFAOYSA-N OCCNC1=C(C=C(C=C1)N(CCO)CCO)[N+]([O-])=O TR-293 NE NE NE NE Yes 56802-99-4 Chlorinated trisodium phosphate DTXSID1020271 [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]Cl.[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O BAMNLULPLWLXPO-UHFFFAOYSA-B - TR-294 IS IS NE NE No 12001-29-5 "Asbestos, chrysotile(IR) + dimethyl hydrazine" DTXSID0030742 [H+].[H+].O.[Mg++].[Mg++].[Mg++].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-] IBPRKWGSNXMCOI-UHFFFAOYSA-P - TR-295 IS IS NT NT Yes 12001-29-5 "Asbestos, chrysotile(SR)" DTXSID0030742 [H+].[H+].O.[Mg++].[Mg++].[Mg++].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-] IBPRKWGSNXMCOI-UHFFFAOYSA-P - TR-295 NE NE NT NT Yes 12001-29-5 "Asbestos, chrysotile(IR)" DTXSID0030742 [H+].[H+].O.[Mg++].[Mg++].[Mg++].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-] IBPRKWGSNXMCOI-UHFFFAOYSA-P - TR-295 SE NE NT NT Yes 124-64-1 Tetrakis(hydroxymethyl)phosphonium chloride DTXSID5021330 [Cl-].OC[P+](CO)(CO)CO AKXUUJCMWZFYMV-UHFFFAOYSA-M OC[P+](CO)(CO)CO TR-296 NE NE NE NE Yes 55566-30-8 Tetrakis(hydroxymethyl)phosphonium sulfate DTXSID0021331 [O-]S([O-])(=O)=O.OC[P+](CO)(CO)CO.OC[P+](CO)(CO)CO YIEDHPBKGZGLIK-UHFFFAOYSA-L - TR-296 NE NE NE NE Yes 597-25-1 Dimethyl morpholinophosphoramidate DTXSID5020495 COP(=O)(OC)N1CCOCC1 BZXUQIDKDGGYPB-UHFFFAOYSA-N COP(=O)(OC)N1CCOCC1 TR-298 SE SE NE NE No 2475-45-8 C.I. Disperse blue 1 DTXSID7020188 NC1=CC=C(N)C2=C1C(=O)C1=C(N)C=CC(N)=C1C2=O JSFUMBWFPQSADC-UHFFFAOYSA-N NC1=CC=C(N)C2=C1C(=O)C1=C(N)C=CC(N)=C1C2=O TR-299 CE CE EE NE No 563-47-3 3-Chloro-2-methylpropene DTXSID1020279 CC(=C)CCl OHXAOPZTJOUYKM-UHFFFAOYSA-N CC(=C)CCl TR-300 CE CE CE CE Yes 90-43-7 o-Phenylphenol DTXSID2021151 OC1=C(C=CC=C1)C1=CC=CC=C1 LLEMOWNGBBNAJR-UHFFFAOYSA-N OC1=C(C=CC=C1)C1=CC=CC=C1 TR-301 NT NT NE NE Yes 100-40-3 4-Vinylcyclohexene DTXSID3021437 C=CC1CCC=CC1 BBDKZWKEPDTENS-UHFFFAOYSA-N C=CC1CCC=CC1 TR-303 IS IS IS CE Yes 115-28-6 Chlorendic acid DTXSID2020268 OC(=O)C1C(C(O)=O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl DJKGDNKYTKCJKD-UHFFFAOYSA-N OC(=O)C1C(C(O)=O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl TR-304 CE CE CE NE Yes 108171-27-3 "Chlorinated paraffins: C23, 43% chlorine" DTXSID7024823 - - - TR-305 NE EE CE EE No 75-09-2 Methylene chloride DTXSID0020868 ClCCl YMWUJEATGCHHMB-UHFFFAOYSA-N ClCCl TR-306 SE CE CE CE Yes 134-72-5 Ephedrine sulfate DTXSID6020565 OS(O)(=O)=O.CN[C@@H](C)[C@H](O)C1=CC=CC=C1.CN[C@@H](C)[C@H](O)C1=CC=CC=C1 CAVQBDOACNULDN-KHFUBBAMSA-N - TR-307 NE NE NE NE No 108171-26-2 "Chlorinated paraffins: C12, 60% chlorine" DTXSID10872316 - - - TR-308 CE CE CE CE No 1163-19-5 Decabromodiphenyl oxide DTXSID9020376 BrC1=C(Br)C(Br)=C(OC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)C(Br)=C1Br WHHGLZMJPXIBIX-UHFFFAOYSA-N BrC1=C(Br)C(Br)=C(OC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)C(Br)=C1Br TR-309 SE SE EE NE Yes 8008-20-6 Navy fuels JP-5 DTXSID6027684 - - - TR-310 NT NT NE NE No 127-18-4 Tetrachloroethylene DTXSID2021319 ClC(Cl)=C(Cl)Cl CYTYCFOTNPOANT-UHFFFAOYSA-N ClC(Cl)=C(Cl)Cl TR-311 CE SE CE CE Yes 109-69-3 n-Butyl chloride DTXSID8020206 CCCCCl VFWCMGCRMGJXDK-UHFFFAOYSA-N CCCCCl TR-312 NE NE NE NE Yes 2385-85-5 Mirex DTXSID7020895 ClC12C3(Cl)C4(Cl)C5(Cl)C(Cl)(C1(Cl)C4(Cl)Cl)C2(Cl)C(Cl)(Cl)C35Cl GVYLCNUFSHDAAW-UHFFFAOYSA-N ClC12C3(Cl)C4(Cl)C5(Cl)C(Cl)(C1(Cl)C4(Cl)Cl)C2(Cl)C(Cl)(Cl)C35Cl TR-313 CE CE NT NT Yes 80-62-6 Methyl Methacrylate DTXSID2020844 COC(=O)C(C)=C VVQNEPGJFQJSBK-UHFFFAOYSA-N COC(=O)C(C)=C TR-314 NE NE NE NE Yes 2058-46-0 Oxytetracycline hydrochloride DTXSID5021097 Cl.CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)C1=C(C=CC=C1O)[C@@]3(C)O UBDNTYUBJLXUNN-IFLJXUKPSA-N CN(C)C1C2C(O)C3C(C(=O)C4=C(C=CC=C4O)C3(C)O)C(=O)C2(O)C(=O)C(C(N)=O)C1=O TR-315 EE EE NE NE Yes 513-37-1 Dimethylvinyl chloride (DMVC) DTXSID5020520 CC(C)=CCl KWISWUFGPUHDRY-UHFFFAOYSA-N CC(C)=CCl TR-316 CE CE CE CE Yes 113-92-8 Chlorpheniramine maleate DTXSID4020321 OC(=O)\C=C/C([O-])=O.C[NH+](C)CCC(C1=CC=C(Cl)C=C1)C1=NC=CC=C1 DBAKFASWICGISY-BTJKTKAUSA-N CN(C)CCC(C1=CC=C(Cl)C=C1)C1=NC=CC=C1 TR-317 NE NE NE NE Yes 7177-48-2 Ampicillin trihydrate DTXSID9020083 O.O.O.CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)N2[C@H]1C(O)=O RXDALBZNGVATNY-CWLIKTDRSA-N CC1(C)SC2C(NC(=O)C(N)C3=CC=CC=C3)C(=O)N2C1C(O)=O TR-318 EE NE NE NE Yes 106-46-7 "1,4-Dichlorobenzene (p-dichlorobenzene)" DTXSID1020431 ClC1=CC=C(Cl)C=C1 OCJBOOLMMGQPQU-UHFFFAOYSA-N ClC1=CC=C(Cl)C=C1 TR-319 CE NE CE CE Yes 83-79-4 Rotenone DTXSID6021248 COC1=CC2=C(C=C1OC)[C@H]1[C@@H](CO2)OC2=C(C=CC3=C2C[C@@H](O3)C(C)=C)C1=O JUVIOZPCNVVQFO-HBGVWJBISA-N COC1=CC2=C(C=C1OC)C1C(CO2)OC2=C3CC(OC3=CC=C2C1=O)C(C)=C TR-320 EE NE NE NE Yes 75-27-4 Bromodichloromethane DTXSID1020198 ClC(Cl)Br FMWLUWPQPKEARP-UHFFFAOYSA-N ClC(Cl)Br TR-321 CE CE CE CE Yes 61-76-7 Phenylephrine hydrochloride DTXSID3021142 Cl.CNC[C@H](O)C1=CC(O)=CC=C1 OCYSGIYOVXAGKQ-FVGYRXGTSA-N CNCC(O)C1=CC(O)=CC=C1 TR-322 NE NE NE NE Yes 756-79-6 Dimethyl methylphosphonate DTXSID0020494 COP(C)(=O)OC VONWDASPFIQPDY-UHFFFAOYSA-N COP(C)(=O)OC TR-323 SE NE IS NE Yes 10043-35-3 Boric acid DTXSID1020194 OB(O)O KGBXLFKZBHKPEV-UHFFFAOYSA-N - TR-324 NT NT NE NE Yes 82-68-8 Pentachloronitrobenzene DTXSID2021105 [O-][N+](=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl LKPLKUMXSAEKID-UHFFFAOYSA-N [O-][N+](=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl TR-325 NT NT NE NE Yes 75-21-8 Ethylene oxide DTXSID0020600 C1CO1 IAYPIBMASNFSPL-UHFFFAOYSA-N C1CO1 TR-326 NT NT CE CE No 1330-20-7 Xylenes (mixed) DTXSID2021446 - - - TR-327 NE NE NE NE Yes 598-55-0 Methyl carbamate DTXSID8020834 COC(N)=O GTCAXTIRRLKXRU-UHFFFAOYSA-N COC(N)=O TR-328 CE CE NE NE Yes 106-88-7 "1,2-Epoxybutane" DTXSID6020569 CCC1CO1 RBACIKXCRWGCBB-UHFFFAOYSA-N CCC1CO1 TR-329 CE EE NE NE Yes 136-77-6 4-Hexylresorcinol DTXSID1020699 CCCCCCC1=C(O)C=C(O)C=C1 WFJIVOKAWHGMBH-UHFFFAOYSA-N CCCCCCC1=C(O)C=C(O)C=C1 TR-330 NE NE EE NE Yes 24382-04-5 "Malonaldehyde, sodium salt" DTXSID4020793 [Na+].[O-]\C=C\C=O MRDWCSQUHSGBGQ-TYYBGVCCSA-M O=CCC=O TR-331 CE CE NE NE No 149-30-4 2-Mercaptobenzothiazole DTXSID1020807 SC1=NC2=C(S1)C=CC=C2 YXIWHUQXZSMYRE-UHFFFAOYSA-N SC1=NC2=C(S1)C=CC=C2 TR-332 SE SE NE EE Yes 135-88-6 N-Phenyl-2-naphthylamine DTXSID4021131 N(C1=CC=CC=C1)C1=CC=C2C=CC=CC2=C1 KEQFTVQCIQJIQW-UHFFFAOYSA-N N(C1=CC=CC=C1)C1=CC=C2C=CC=CC2=C1 TR-333 NE NE NE EE Yes 121-88-0 2-Amino-5-nitrophenol DTXSID1020063 NC1=C(O)C=C(C=C1)[N+]([O-])=O DOPJTDJKZNWLRB-UHFFFAOYSA-N NC1=C(O)C=C(C=C1)[N+]([O-])=O TR-334 SE NE NE NE Yes 6373-74-6 C.I. Acid orange 3 DTXSID1021081 [Na+].[O-][N+](=O)C1=CC(=C(NC2=CC(=C(NC3=CC=CC=C3)C=C2)S([O-])(=O)=O)C=C1)[N+]([O-])=O KKBFCPLWFWQNFB-UHFFFAOYSA-M OS(=O)(=O)C1=C(NC2=CC=CC=C2)C=CC(NC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)=C1 TR-335 NE CE NE NE Yes 132-98-9 Penicillin VK DTXSID7021102 [K+].CC1(C)S[C@@H]2[C@H](NC(=O)COC3=CC=CC=C3)C(=O)N2[C@H]1C([O-])=O HCTVWSOKIJULET-LQDWTQKMSA-M CC1(C)SC2C(NC(=O)COC3=CC=CC=C3)C(=O)N2C1C(O)=O TR-336 NE NE NE NE Yes 59-87-0 Nitrofurazone DTXSID5020944 NC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O IAIWVQXQOWNYOU-UHFFFAOYSA-N NC(=O)N=NCC1=CC=C(O1)[N+]([O-])=O TR-337 EE CE NE CE Yes 643-22-1 Erythromycin stearate DTXSID0020571 CCCCCCCCCCCCCCCCCC([O-])=O.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]2O[C@H](C)C[C@@H]([C@H]2O)[NH+](C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O YAVZHCFFUATPRK-YZPBMOCRSA-N 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 TR-338 NE NE NE NE No 99-57-0 2-Amino-4-nitrophenol DTXSID6020062 NC1=C(O)C=CC(=C1)[N+]([O-])=O VLZVIIYRNMWPSN-UHFFFAOYSA-N NC1=C(O)C=CC(=C1)[N+]([O-])=O TR-339 SE NE NE NE Yes 5634-39-9 Iodinated glycerol DTXSID4020741 - - - TR-340 SE NE NE SE No 67-20-9 Nitrofurantoin DTXSID7020972 [O-][N+](=O)C1=CC=C(O1)C=NN1CC(=O)NC1=O NXFQHRVNIOXGAQ-UHFFFAOYSA-N [O-][N+](=O)C1=CC=C(O1)C=NN1CC(=O)NC1=O TR-341 SE NE NE CE Yes 62-73-7 Dichlorvos DTXSID5020449 COP(=O)(OC)OC=C(Cl)Cl OEBRKCOSUFCWJD-UHFFFAOYSA-N COP(=O)(OC)OC=C(Cl)Cl TR-342 SE EE SE CE Yes 100-51-6 Benzyl alcohol DTXSID5020152 OCC1=CC=CC=C1 WVDDGKGOMKODPV-UHFFFAOYSA-N OCC1=CC=CC=C1 TR-343 NE NE NE NE Yes 64-75-5 Tetracycline hydrochloride DTXSID6021321 Cl.CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)C1=C(C=CC=C1O)[C@@]3(C)O XMEVHPAGJVLHIG-FMZCEJRJSA-N CN(C)C1C2CC3C(C(=O)C4=C(C=CC=C4O)C3(C)O)C(=O)C2(O)C(=O)C(C(N)=O)C1=O TR-344 NE NE NE NE Yes 121-19-7 Roxarsone DTXSID9020956 OC1=C(C=C(C=C1)[As](O)(O)=O)[N+]([O-])=O XMVJITFPVVRMHC-UHFFFAOYSA-N - TR-345 EE NE NE NE Yes 75-00-3 Chloroethane DTXSID1020302 CCCl HRYZWHHZPQKTII-UHFFFAOYSA-N CCCl TR-346 EE EE IS CE No 5989-27-5 D-Limonene DTXSID1020778 CC(=C)[C@@H]1CCC(C)=CC1 XMGQYMWWDOXHJM-JTQLQIEISA-N CC(=C)C1CCC(C)=CC1 TR-347 CE NE NE NE Yes 41372-08-1 Methyldopa sesquihydrate DTXSID5020863 O.O.O.C[C@](N)(CC1=CC=C(O)C(O)=C1)C(O)=O.C[C@](N)(CC1=CC=C(O)C(O)=C1)C(O)=O YKFCISHFRZHKHY-NGQGLHOPSA-N - TR-348 NE NE EE NE Yes 87-86-5 "Pentachlorophenol, Dowicide EC-7" DTXSID7021106 OC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl IZUPBVBPLAPZRR-UHFFFAOYSA-N OC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl TR-349 NT NT CE CE Yes 87-86-5 "Pentachlorophenol, technical" DTXSID7021106 OC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl IZUPBVBPLAPZRR-UHFFFAOYSA-N OC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl TR-349 NT NT CE SE Yes 75-25-2 Tribromomethane DTXSID1021374 BrC(Br)Br DIKBFYAXUHHXCS-UHFFFAOYSA-N BrC(Br)Br TR-350 SE CE NE NE Yes 20265-96-7 p-Chloroaniline hydrochloride DTXSID4020296 Cl.NC1=CC=C(Cl)C=C1 ISJBQSJDQZLCSF-UHFFFAOYSA-N NC1=CC=C(Cl)C=C1 TR-351 CE EE SE NE Yes 924-42-5 N-Methylolacrylamide DTXSID3020885 OCNC(=O)C=C CNCOEDDPFOAUMB-UHFFFAOYSA-N OCNC(=O)C=C TR-352 NE NE CE CE No 120-83-2 "2,4-Dichlorophenol" DTXSID1020439 OC1=C(Cl)C=C(Cl)C=C1 HFZWRUODUSTPEG-UHFFFAOYSA-N OC1=C(Cl)C=C(Cl)C=C1 TR-353 NE NE NE NE Yes 828-00-2 Dimethoxane DTXSID6020480 CC1CC(OC(C)=O)OC(C)O1 PHMNXPYGVPEQSJ-UHFFFAOYSA-N CC1CC(OC(C)=O)OC(C)O1 TR-354 NE NE EE NE Yes 147-24-0 Diphenhydramine hydrochloride DTXSID4020537 Cl.CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1 PCHPORCSPXIHLZ-UHFFFAOYSA-N CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1 TR-355 EE EE NE NE Yes 54-31-9 Furosemide DTXSID6020648 NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CO2)C(=C1)C(O)=O ZZUFCTLCJUWOSV-UHFFFAOYSA-N NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CO2)C(=C1)C(O)=O TR-356 EE NE NE SE Yes 58-93-5 Hydrochlorothiazide DTXSID2020713 NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1Cl JZUFKLXOESDKRF-UHFFFAOYSA-N NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1Cl TR-357 NE NE EE NE Yes 303-47-9 Ochratoxin A DTXSID7021073 C[C@@H]1CC2=C(C(=O)O1)C(O)=C(C=C2Cl)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O RWQKHEORZBHNRI-BMIGLBTASA-N CC1CC2=C(Cl)C=C(C(=O)NC(CC3=CC=CC=C3)C(O)=O)C(O)=C2C(=O)O1 TR-358 CE CE NT NT No 298-81-7 8-Methoxypsoralen DTXSID8020830 COC1=C2OC(=O)C=CC2=CC2=C1OC=C2 QXKHYNVANLEOEG-UHFFFAOYSA-N COC1=C2OC(=O)C=CC2=CC2=C1OC=C2 TR-359 CE NE NT NT Yes 121-69-7 "N,N-Dimethylaniline" DTXSID2020507 CN(C)C1=CC=CC=C1 JLTDJTHDQAWBAV-UHFFFAOYSA-N CN(C)C1=CC=CC=C1 TR-360 SE NE NE EE Yes 67-72-1 Hexachloroethane DTXSID7020689 ClC(Cl)(Cl)C(Cl)(Cl)Cl VHHHONWQHHHLTI-UHFFFAOYSA-N ClC(Cl)(Cl)C(Cl)(Cl)Cl TR-361 CE NE NT NT Yes 106-87-6 4-Vinyl-1-cyclohexene diepoxide DTXSID0020604 C1OC1C1CCC2OC2C1 OECTYKWYRCHAKR-UHFFFAOYSA-N C1OC1C1CCC2OC2C1 TR-362 CE CE CE CE Yes 74-96-4 Bromoethane (ethyl bromide) DTXSID6020199 CCBr RDHPKYGYEGBMSE-UHFFFAOYSA-N CCBr TR-363 SE EE EE CE Yes 989-38-8 Rhodamine 6G DTXSID1021243 [Cl-].CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(=C2C=C1C)C1=C(C=CC=C1)C(=O)OCC XFKVYXCRNATCOO-UHFFFAOYSA-M CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(=C2C=C1C)C1=C(C=CC=C1)C(=O)OCC TR-364 EE EE NE NE Yes 78-11-5 Pentaerythritol tetranitrate DTXSID2023430 [O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O TZRXHJWUDPFEEY-UHFFFAOYSA-N [O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O TR-365 EE EE NE NE Yes 123-31-9 Hydroquinone DTXSID7020716 OC1=CC=C(O)C=C1 QIGBRXMKCJKVMJ-UHFFFAOYSA-N OC1=CC=C(O)C=C1 TR-366 SE SE NE SE Yes 50-33-9 Phenylbutazone DTXSID9021136 CCCCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1 VYMDGNCVAMGZFE-UHFFFAOYSA-N CCCCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1 TR-367 EE SE SE NE Yes 389-08-2 Nalidixic acid DTXSID3020912 CCN1C=C(C(O)=O)C(=O)C2=C1N=C(C)C=C2 MHWLWQUZZRMNGJ-UHFFFAOYSA-N CCN1C=C(C(O)=O)C(=O)C2=C1N=C(C)C=C2 TR-368 CE CE EE NE Yes 98-85-1 alpha-Methylbenzyl alcohol DTXSID1020859 CC(O)C1=CC=CC=C1 WAPNOHKVXSQRPX-UHFFFAOYSA-N CC(O)C1=CC=CC=C1 TR-369 SE NE NE NE Yes 271-89-6 Benzofuran DTXSID6020141 O1C=CC2=C1C=CC=C2 IANQTJSKSUMEQM-UHFFFAOYSA-N O1C=CC2=C1C=CC=C2 TR-370 NE SE CE CE Yes 108-88-3 Toluene DTXSID7021360 CC1=CC=CC=C1 YXFVVABEGXRONW-UHFFFAOYSA-N CC1=CC=CC=C1 TR-371 NE NE NE NE Yes 20325-40-0 "3,3'-Dimethoxybenzidine dihydrochloride" DTXSID1020485 Cl.Cl.COC1=CC(=CC=C1N)C1=CC=C(N)C(OC)=C1 UXTIAFYTYOEQHV-UHFFFAOYSA-N COC1=CC(=CC=C1N)C1=CC(OC)=C(N)C=C1 TR-372 CE CE NT NT Yes 108-30-5 Succinic anhydride DTXSID7021287 O=C1CCC(=O)O1 RINCXYDBBGOEEQ-UHFFFAOYSA-N O=C1CCC(=O)O1 TR-373 NE NE NE NE Yes 556-52-5 Glycidol DTXSID4020666 OCC1CO1 CTKINSOISVBQLD-UHFFFAOYSA-N OCC1CO1 TR-374 CE CE CE CE Yes 25013-15-4 Vinyl toluene DTXSID6026292 - - - TR-375 NE NE NE NE Yes 106-92-3 Allyl glycidyl ether DTXSID9039232 C=CCOCC1CO1 LSWYGACWGAICNM-UHFFFAOYSA-N C=CCOCC1CO1 TR-376 EE NE SE EE Yes 2698-41-1 o-Chlorobenzalmalononitrile (CS) DTXSID9020297 ClC1=CC=CC=C1C=C(C#N)C#N JJNZXLAFIPKXIG-UHFFFAOYSA-N ClC1=CC=CC=C1C=C(C#N)C#N TR-377 NE NE NE NE No 100-52-7 Benzaldehyde DTXSID8039241 O=CC1=CC=CC=C1 HUMNYLRZRPPJDN-UHFFFAOYSA-N O=CC1=CC=CC=C1 TR-378 NE NE SE SE Yes 532-27-4 2-Chloroacetophenone (CN) DTXSID9020293 ClCC(=O)C1=CC=CC=C1 IMACFCSSMIZSPP-UHFFFAOYSA-N ClCC(=O)C1=CC=CC=C1 TR-379 NE EE NE NE Yes 55-31-2 Epinephrine hydrochloride DTXSID1020568 Cl.CNC[C@H](O)C1=CC(O)=C(O)C=C1 ATADHKWKHYVBTJ-FVGYRXGTSA-N CNCC(O)C1=CC(O)=C(O)C=C1 TR-380 IS IS IS IS No 2244-16-8 D-Carvone DTXSID8020256 CC(=C)[C@H]1CC=C(C)C(=O)C1 ULDHMXUKGWMISQ-VIFPVBQESA-N CC(=C)C1CC=C(C)C(=O)C1 TR-381 NT NT NE NE Yes 98-01-1 Furfural DTXSID1020647 O=CC1=CC=CO1 HYBBIBNJHNGZAN-UHFFFAOYSA-N O=CC1=CC=CO1 TR-382 SE NE CE SE Yes 81-49-2 "1-Amino-2,4-dibromoanthraquinone" DTXSID4039235 NC1=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C(Br)C=C1Br ZINRVIQBCHAZMM-UHFFFAOYSA-N NC1=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C(Br)C=C1Br TR-383 CE CE CE CE Yes 96-18-4 "1,2,3-Trichloropropane" DTXSID9021390 ClCC(Cl)CCl CFXQEHVMCRXUSD-UHFFFAOYSA-N ClCC(Cl)CCl TR-384 CE CE CE CE Yes 74-83-9 Methyl Bromide DTXSID8020832 CBr GZUXJHMPEANEGY-UHFFFAOYSA-N CBr TR-385 NT NT NE NE No 509-14-8 Tetranitromethane DTXSID5021334 [O-][N+](=O)C([N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O NYTOUQBROMCLBJ-UHFFFAOYSA-N [O-][N+](=O)C([N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O TR-386 CE CE CE CE Yes 60-13-9 DL-amphetamine sulfate DTXSID4020082 OS(O)(=O)=O.CC(N)CC1=CC=CC=C1.CC(N)CC1=CC=CC=C1 PYHRZPFZZDCOPH-UHFFFAOYSA-N - TR-387 NE NE NE NE No 96-45-7 Ethylene thiourea (ETU) DTXSID5020601 S=C1NCCN1 PDQAZBWRQCGBEV-UHFFFAOYSA-N S=C1NCCN1 TR-388 CE CE CE CE Yes 26628-22-8 Sodium azide DTXSID8020121 [Na+].[N-]=[N+]=[N-] PXIPVTKHYLBLMZ-UHFFFAOYSA-N - TR-389 NE NE NT NT Yes 612-82-8 "3,3'-Dimethylbenzidine dihydrochloride" DTXSID6020511 Cl.Cl.CC1=C(N)C=CC(=C1)C1=CC(C)=C(N)C=C1 LUKPNZHXJRJBAN-UHFFFAOYSA-N CC1=CC(=CC=C1N)C1=CC=C(N)C(C)=C1 TR-390 CE CE NT NT Yes 115-96-8 tris(2-Chloroethyl) phosphate DTXSID5021411 ClCCOP(=O)(OCCCl)OCCCl HQUQLFOMPYWACS-UHFFFAOYSA-N ClCCOP(=O)(OCCCl)OCCCl TR-391 CE CE EE EE Yes 7681-49-4 Sodium fluoride DTXSID2020630 [F-].[Na+] PUZPDOWCWNUUKD-UHFFFAOYSA-M - TR-393 EE NE NE NE Yes 103-90-2 Acetaminophen (4-hydroxyacetanilide) DTXSID2020006 CC(=O)NC1=CC=C(O)C=C1 RZVAJINKPMORJF-UHFFFAOYSA-N CC(=O)NC1=CC=C(O)C=C1 TR-394 NE EE NE NE Yes 57-66-9 Probenecid DTXSID9021188 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O DBABZHXKTCFAPX-UHFFFAOYSA-N CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O TR-395 NE NE NE SE Yes 79-11-8 Monochloroacetic acid DTXSID4020901 OC(=O)CCl FOCAUTSVDIKZOP-UHFFFAOYSA-N OC(=O)CCl TR-396 NE NE NE NE Yes 2429-74-5 C.I. Direct blue 15 DTXSID7020186 [Na+].[Na+].[Na+].[Na+].COC1=C(C=CC(=C1)C1=CC(OC)=C(C=C1)\N=N/C1=C(C=C2C=C(C=C(N)C2=C1O)S([O-])(=O)=O)S([O-])(=O)=O)\N=N/C1=C(C=C2C=C(C=C(N)C2=C1O)S([O-])(=O)=O)S([O-])(=O)=O OLSOUGWNONTDCK-MCOZZWBDSA-J COC1=CC(=CC=C1N=NC1=C(C=C2C=C(C=C(N)C2=C1O)S(O)(=O)=O)S(O)(=O)=O)C1=CC(OC)=C(C=C1)N=NC1=C(C=C2C=C(C=C(N)C2=C1O)S(O)(=O)=O)S(O)(=O)=O TR-397 CE CE NT NT No 67774-32-7 Polybrominated biphenyl mixture (Firemaster FF-1) DTXSID0021173 - - - TR-398 CE CE CE CE Yes 1271-19-8 Titanocene dichloride DTXSID3021354 [Cl-].[Cl-].C1C=CC=C1[Ti++]C1=CC=CC1 HNUKMDPEDCSDKO-UHFFFAOYSA-L - TR-399 EE EE NT NT Yes 96-13-9 "2,3-Dibromo-1-propanol" DTXSID7021817 OCC(Br)CBr QWVCIORZLNBIIC-UHFFFAOYSA-N OCC(Br)CBr TR-400 CE CE CE CE Yes 137-09-7 "2,4-Diaminophenol dihydrochloride" DTXSID9020401 Cl.Cl.NC1=CC=C(O)C(N)=C1 KQEIJFWAXDQUPR-UHFFFAOYSA-N NC1=CC=C(O)C(N)=C1 TR-401 NE NE SE NE Yes 110-00-9 Furan DTXSID6020646 O1C=CC=C1 YLQBMQCUIZJEEH-UHFFFAOYSA-N O1C=CC=C1 TR-402 CE CE CE CE Yes 108-46-3 Resorcinol DTXSID2021238 OC1=CC(O)=CC=C1 GHMLBKRAJCXXBS-UHFFFAOYSA-N OC1=CC(O)=CC=C1 TR-403 NE NE NE NE Yes 57-41-0 "5,5-Diphenylhydantoin (phenytoin)" DTXSID8020541 O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1 CXOFVDLJLONNDW-UHFFFAOYSA-N O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1 TR-404 EE NE NE CE Yes 6459-94-5 C.I. Acid red 114 DTXSID8021224 [Na+].[Na+].CC1=CC=C(C=C1)S(=O)(=O)OC1=CC=C(C=C1)N=NC1=C(C)C=C(C=C1)C1=CC=C(N=NC2=C(O)C=CC3=CC(=CC(=C23)S([O-])(=O)=O)S([O-])(=O)=O)C(C)=C1 HNBQFKZSMFFZQY-UHFFFAOYSA-L CC1=CC=C(C=C1)S(=O)(=O)OC1=CC=C(C=C1)N=NC1=C(C)C=C(C=C1)C1=CC=C(N=NC2=C(O)C=CC3=CC(=CC(=C23)S(O)(=O)=O)S(O)(=O)=O)C(C)=C1 TR-405 CE CE NT NT Yes 96-48-0 gamma-Butyrolactone DTXSID6020224 O=C1CCCO1 YEJRWHAVMIAJKC-UHFFFAOYSA-N O=C1CCCO1 TR-406 NE NE EE NE Yes 2425-85-6 C.I. Pigment red 3 DTXSID8021226 CC1=CC(=C(C=C1)N=NC1=C2C=CC=CC2=CC=C1O)[N+]([O-])=O ZLFVRXUOSPRRKQ-UHFFFAOYSA-N CC1=CC(=C(C=C1)N=NC1=C2C=CC=CC2=CC=C1O)[N+]([O-])=O TR-407 SE SE SE NE No 7487-94-7 Mercuric chloride DTXSID5020811 [Cl-].[Cl-].[Hg++] LWJROJCJINYWOX-UHFFFAOYSA-L - TR-408 SE EE EE NE Yes 117-39-5 Quercetin DTXSID4021218 OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC(O)=C(O)C=C1 REFJWTPEDVJJIY-UHFFFAOYSA-N OC1=CC2=C(C(O)=C1)C(=O)C(=O)C(O2)C1=CC(O)=C(O)C=C1 TR-409 SE NE NT NT Yes 91-20-3 Naphthalene DTXSID8020913 C1=CC2=CC=CC=C2C=C1 UFWIBTONFRDIAS-UHFFFAOYSA-N C1=CC2=CC=CC=C2C=C1 TR-410 NT NT NE SE Yes 6471-49-4 C.I. Pigment red 23 DTXSID3021227 COC1=CC=C(C=C1\N=N\C1=C(O)C(=CC2=CC=CC=C12)C(=O)NC1=CC(=CC=C1)[N+]([O-])=O)[N+]([O-])=O SOFRHZUTPGJWAM-CYYJNZCTSA-N COC1=CC=C(C=C1N=NC1=C2C=CC=CC2=CC(C(=O)NC2=CC(=CC=C2)[N+]([O-])=O)=C1O)[N+]([O-])=O TR-411 EE NE NE NE No 7336-20-1 "4,4'-Diamino-2,2'-stilbenedisulfonic acid, disodium salt" DTXSID2020397 [Na+].[Na+].NC1=CC(=C(C=CC2=C(C=C(N)C=C2)S([O-])(=O)=O)C=C1)S([O-])(=O)=O YAKFHPREDNNSFX-UHFFFAOYSA-L NC1=CC(=C(C=CC2=C(C=C(N)C=C2)S(O)(=O)=O)C=C1)S(O)(=O)=O TR-412 NE NE NE NE No 107-21-1 Ethylene glycol DTXSID8020597 OCCO LYCAIKOWRPUZTN-UHFFFAOYSA-N OCCO TR-413 NT NT NE NE Yes 1825-21-4 Pentachloroanisole DTXSID2021103 COC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl BBABSCYTNHOKOG-UHFFFAOYSA-N COC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl TR-414 SE EE SE NE Yes 9005-65-6 Polysorbate 80 (glycol) DTXSID0021175 - - - TR-415 EE NE NE NE Yes 91-23-6 o-Nitroanisole DTXSID3020962 COC1=C(C=CC=C1)[N+]([O-])=O CFBYEGUGFPZCNF-UHFFFAOYSA-N COC1=C(C=CC=C1)[N+]([O-])=O TR-416 CE CE CE SE Yes 100-02-7 p-Nitrophenol DTXSID0021834 OC1=CC=C(C=C1)[N+]([O-])=O BTJIUGUIPKRLHP-UHFFFAOYSA-N OC1=CC=C(C=C1)[N+]([O-])=O TR-417 NT NT NE NE Yes 100-01-6 p-Nitroaniline DTXSID8020961 NC1=CC=C(C=C1)[N+]([O-])=O TYMLOMAKGOJONV-UHFFFAOYSA-N NC1=CC=C(C=C1)[N+]([O-])=O TR-418 NT NT EE NE Yes 59820-43-8 HC yellow 4 DTXSID6021458 OCCNC1=C(OCCO)C=C(C=C1)[N+]([O-])=O PNENOUKIPPERMY-UHFFFAOYSA-N OCCNC1=C(OCCO)C=C(C=C1)[N+]([O-])=O TR-419 EE NE NE NE Yes 396-01-0 Triamterene DTXSID6021373 NC1=NC(N)=C2N=C(C(N)=NC2=N1)C1=CC=CC=C1 FNYLWPVRPXGIIP-UHFFFAOYSA-N NC1=NC(N)=C2N=C(C(N)=NC2=N1)C1=CC=CC=C1 TR-420 EE NE SE SE Yes 14807-96-6 Talc DTXSID5032109 - - - TR-421 SE CE NE NE No 91-64-5 Coumarin DTXSID7020348 O=C1OC2=C(C=CC=C2)C=C1 ZYGHJZDHTFUPRJ-UHFFFAOYSA-N O=C1OC2=C(C=CC=C2)C=C1 TR-422 SE EE SE CE Yes 119-84-6 "3,4-Dihydrocoumarin" DTXSID2020474 O=C1CCC2=C(O1)C=CC=C2 VMUXSMXIQBNMGZ-UHFFFAOYSA-N O=C1CCC2=C(O1)C=CC=C2 TR-423 SE NE NE SE Yes 120-32-1 o-Benzyl-p-chlorophenol DTXSID5020154 OC1=C(CC2=CC=CC=C2)C=C(Cl)C=C1 NCKMMSIFQUPKCK-UHFFFAOYSA-N OC1=C(CC2=CC=CC=C2)C=C(Cl)C=C1 TR-424 NE EE SE NE Yes 58-33-3 Promethazine hydrochloride DTXSID3021192 Cl.CC(CN1C2=CC=CC=C2SC2=C1C=CC=C2)N(C)C XXPDBLUZJRXNNZ-UHFFFAOYSA-N CC(CN1C2=C(SC3=C1C=CC=C3)C=CC=C2)N(C)C TR-425 NE NE NE NE Yes 8024-37-1 "Turmeric, oleoresin (curcumin)" DTXSID0052889 - - - TR-427 NE EE EE EE No 10034-96-5 Manganese sulfate monohydrate DTXSID4020795 O.[Mn++].[O-]S([O-])(=O)=O ISPYRSDWRDQNSW-UHFFFAOYSA-L - TR-428 NE NE EE EE No 84-66-2 Diethyl phthalate DTXSID7021780 CCOC(=O)C1=CC=CC=C1C(=O)OCC FLKPEMZONWLCSK-UHFFFAOYSA-N CCOC(=O)C1=CC=CC=C1C(=O)OCC TR-429 NE NE EE EE Yes 28407-37-6 C.I. Direct blue 218 DTXSID2020187 [Na+].[Na+].[Na+].[Na+].NC1=CC(=CC2=CC(=C3\N=N/C4=CC=C(C=C4O[Cu]OC3=C12)C1=CC2=C(C=C1)\N=N/C1=C(C=C3C=C(C=C(N)C3=C1O[Cu]O2)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O GWEZPAIPHHUMTI-QTSXORJLSA-F - TR-430 SE NE CE CE No 140-11-4 Benzyl acetate DTXSID0020151 CC(=O)OCC1=CC=CC=C1 QUKGYYKBILRGFE-UHFFFAOYSA-N CC(=O)OCC1=CC=CC=C1 TR-431 NE NE NE NE Yes 10326-27-9 Barium Chloride Dihydrate DTXSID2020131 O.O.[Cl-].[Cl-].[Ba++] PWHCIQQGOQTFAE-UHFFFAOYSA-L - TR-432 NE NE NE NE Yes 1330-78-5 Tricresyl phosphate DTXSID4021391 - - - TR-433 NE NE NE NE Yes 106-99-0 "1,3-Butadiene" DTXSID3020203 C=CC=C KAKZBPTYRLMSJV-UHFFFAOYSA-N C=CC=C TR-434 NT NT CE CE Yes 96-69-5 "4,4-Thiobis(6-tert-butyl-m-cresol)" DTXSID4021341 CC1=CC(O)=C(C=C1SC1=C(C)C=C(O)C(=C1)C(C)(C)C)C(C)(C)C HXIQYSLFEXIOAV-UHFFFAOYSA-N CC1=CC(O)=C(C=C1SC1=C(C)C=C(O)C(=C1)C(C)(C)C)C(C)(C)C TR-435 NE NE NE NE Yes 75-65-0 tert-Butyl alcohol DTXSID8020204 CC(C)(C)O DKGAVHZHDRPRBM-UHFFFAOYSA-N CC(C)(C)O TR-436 SE NE EE SE No 77-47-4 Hexachlorocyclopentadiene DTXSID2020688 ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl VUNCWTMEJYMOOR-UHFFFAOYSA-N ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl TR-437 NE NE NE NE Yes 121-54-0 Benzethonium Chloride DTXSID6023810 [Cl-].CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1 UREZNYTWGJKWBI-UHFFFAOYSA-M CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1 TR-438 NE NE NE NE Yes 298-59-9 Methylphenidate hydrochloride DTXSID8020886 Cl.COC(=O)C(C1CCCCN1)C1=CC=CC=C1 JUMYIBMBTDDLNG-UHFFFAOYSA-N COC(=O)C(C1CCCCN1)C1=CC=CC=C1 TR-439 NE NE SE SE Yes 10028-15-6 Ozone DTXSID0021098 [O-][O+]=O CBENFWSGALASAD-UHFFFAOYSA-N - TR-440 NE NE EE SE No 62-23-7 p-Nitrobenzoic acid DTXSID3020966 OC(=O)C1=CC=C(C=C1)[N+]([O-])=O OTLNPYWUJOZPPA-UHFFFAOYSA-N OC(=O)C1=CC=C(C=C1)[N+]([O-])=O TR-442 NE SE NE NE Yes 604-75-1 Oxazepam DTXSID1021087 OC1N=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2NC1=O ADIMAYPTOBDMTL-UHFFFAOYSA-N OC1N=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2NC1=O TR-443 NT NT CE CE Yes 6533-68-2 Scopolamine hydrobromide trihydrate DTXSID0021258 O.O.O.Br.CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1 LACQPOBCQQPVIT-SEYKEWMNSA-N [H]C12CC(CC([H])(C3OC13)N2C)OC(=O)C(CO)C1=CC=CC=C1 TR-445 NE NE NE NE Yes 8/3/1972 1-trans-delta-9-Tetrahydrocannabinol DTXSID6021327 [H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)OC1=CC(CCCCC)=CC(O)=C21 CYQFCXCEBYINGO-IAGOWNOFSA-N CCCCCC1=CC2=C(C3C=C(C)CCC3C(C)(C)O2)C(O)=C1 TR-446 NE NE EE EE Yes 75-05-8 Acetonitrile DTXSID7020009 CC#N WEVYAHXRMPXWCK-UHFFFAOYSA-N CC#N TR-447 EE NE NE NE Yes 542-56-3 Isobutyl nitrite DTXSID3020750 CC(C)CON=O APNSGVMLAYLYCT-UHFFFAOYSA-N CC(C)CON=O TR-448 CE CE SE SE Yes 102-71-6 Triethanolamine DTXSID9021392 OCCN(CCO)CCO GSEJCLTVZPLZKY-UHFFFAOYSA-N OCCN(CCO)CCO TR-449 EE NE IS IS Yes 116-14-3 Tetrafluoroethylene DTXSID6021325 FC(F)=C(F)F BFKJFAAPBSQJPD-UHFFFAOYSA-N FC(F)=C(F)F TR-450 CE CE CE CE No 1313-99-1 Nickel (II) oxide DTXSID7025710 O=[Ni] GNRSAWUEBMWBQH-UHFFFAOYSA-N - TR-451 SE SE NE EE No 3296-90-0 "2,2-bis(Bromomethyl)-1,3-propanediol" DTXSID9020164 OCC(CO)(CBr)CBr CHUGKEQJSLOLHL-UHFFFAOYSA-N OCC(CO)(CBr)CBr TR-452 CE CE CE CE Yes 12035-72-2 Nickel subsulfide DTXSID2025711 - - - TR-453 CE CE NE NE No 10101-97-0 Nickel Sulfate Hexahydrate DTXSID7020928 O.O.O.O.O.O.[Ni++].[O-]S([O-])(=O)=O RRIWRJBSCGCBID-UHFFFAOYSA-L - TR-454 NE NE NE NE Yes 76-57-3 Codeine DTXSID2020341 COC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)=C2[C@@]34CCN5C OROGSEYTTFOCAN-DNJOTXNNSA-N [H]C12CC3=C4C(OC5C(O)C=CC1C45CCN2C)=C(OC)C=C3 TR-455 NE NE NE NE Yes 147-47-7 "1,2-Dihydro-2,2,4-trimethylquinoline (monomer)" DTXSID0025070 CC1=CC(C)(C)NC2=C1C=CC=C2 ZNRLMGFXSPUZNR-UHFFFAOYSA-N CC1=CC(C)(C)NC2=C1C=CC=C2 TR-456 SE NE NE NE Yes 599-79-1 Salicylazosulfapyridine DTXSID0021256 OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1 NCEXYHBECQHGNR-QZQOTICOSA-N OC(=O)C1=CC(=CC=C1O)N=NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1 TR-457 SE SE CE CE Yes 85-68-7 Butyl benzyl phthalate DTXSID3020205 CCCCOC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 IRIAEXORFWYRCZ-UHFFFAOYSA-N CCCCOC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 TR-458 SE EE NT NT Yes 1948-33-0 t-Butylhydroquinone DTXSID6020220 CC(C)(C)C1=CC(O)=CC=C1O BGNXCDMCOKJUMV-UHFFFAOYSA-N CC(C)(C)C1=CC(O)=CC=C1O TR-459 NE NE NE NE Yes 75-52-5 Nitromethane DTXSID2020977 C[N+]([O-])=O LYGJENNIWJXYER-UHFFFAOYSA-N C[N+]([O-])=O TR-461 NE CE CE CE Yes 1313-27-5 Molybdenum trioxide DTXSID7020899 O=[Mo](=O)=O JKQOBWVOAYFWKG-UHFFFAOYSA-N - TR-462 EE NE SE SE Yes 8003-22-3 D & C yellow no. 11 DTXSID7024906 - - - TR-463 SE SE NT NT Yes 1300-72-7 Sodium xylenesulfonate DTXSID3026302 "C*.C*.OS(=O)(=O)C1=CC=CC=C1 |c:8,10,t:6,lp:4:2,6:2,7:2,m:1:9.10,3:10.11.12.13|" - - TR-464 NE NE NE NE Yes 77-09-8 Phenolphthalein DTXSID0021125 OC1=CC=C(C=C1)C1(OC(=O)C2=C1C=CC=C2)C1=CC=C(O)C=C1 KJFMBFZCATUALV-UHFFFAOYSA-N OC1=CC=C(C=C1)C1(OC(=O)C2=C1C=CC=C2)C1=CC=C(O)C=C1 TR-465 CE SE CE CE Yes 100-41-4 Ethylbenzene DTXSID3020596 CCC1=CC=CC=C1 YNQLUTRBYVCPMQ-UHFFFAOYSA-N CCC1=CC=CC=C1 TR-466 CE SE SE SE Yes 126-99-8 Chloroprene DTXSID5020316 ClC(=C)C=C YACLQRRMGMJLJV-UHFFFAOYSA-N ClC(=C)C=C TR-467 CE CE CE CE No 604-75-1 Oxazepam DTXSID1021087 OC1N=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2NC1=O ADIMAYPTOBDMTL-UHFFFAOYSA-N OC1N=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2NC1=O TR-468 EE NE NT NT Yes 30516-87-1 3'-Azido-3'-deoxythymidine (AIDS) DTXSID8020127 CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O HBOMLICNUCNMMY-XLPZGREQSA-N CC1=CN(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)N=C1O TR-469 NT NT EE CE Yes 110-86-1 Pyridine (Wistar) DTXSID9021924 C1=CC=NC=C1 JUJWROOIHBZHMG-UHFFFAOYSA-N C1=CC=NC=C1 TR-470 SE SE CE CE Yes 110-86-1 Pyridine (F344/N) DTXSID9021924 C1=CC=NC=C1 JUJWROOIHBZHMG-UHFFFAOYSA-N C1=CC=NC=C1 TR-470 SE EE CE CE Yes 10026-24-1 Cobalt sulfate heptahydrate DTXSID7020340 O.O.O.O.O.O.O.[Co++].[O-]S([O-])(=O)=O MEYVLGVRTYSQHI-UHFFFAOYSA-L - TR-471 SE CE CE CE Yes 78-84-2 Isobutyraldehyde DTXSID9021635 CC(C)C=O AMIMRNSIRUDHCM-UHFFFAOYSA-N CC(C)C=O TR-472 NE NE NE NE Yes 58-55-9 Theophylline DTXSID5021336 CN1C2=C(NC=N2)C(=O)N(C)C1=O ZFXYFBGIUFBOJW-UHFFFAOYSA-N CN1C2=C(NC=N2)C(=O)N(C)C1=O TR-473 NE NE NE NE Yes 9002-89-5 Polyvinyl alcohol DTXSID4031930 - - - TR-474 NT NT NT NE No 109-99-9 Tetrahydrofuran DTXSID1021328 C1CCOC1 WYURNTSHIVDZCO-UHFFFAOYSA-N C1CCOC1 TR-475 SE NE NE CE Yes 125-33-7 Primidone (primaclone) DTXSID7023510 CCC1(C(=O)NCNC1=O)C1=CC=CC=C1 DQMZLTXERSFNPB-UHFFFAOYSA-N CCC1(C(=O)NCNC1=O)C1=CC=CC=C1 TR-476 EE NE CE CE Yes 127-00-4 "1-Chloro-2-propanol, technical" DTXSID5020285 CC(O)CCl YYTSGNJTASLUOY-UHFFFAOYSA-N CC(O)CCl TR-477 NE NE NE NE No 111-42-2 Diethanolamine DTXSID3021932 OCCNCCO ZBCBWPMODOFKDW-UHFFFAOYSA-N OCCNCCO TR-478 NE NE CE CE Yes 68603-42-9 Coconut oil acid diethanolamine condensate DTXSID0024842 - - - TR-479 NE EE CE CE Yes 120-40-1 Lauric acid diethanolamine condensate DTXSID5025491 CCCCCCCCCCCC(=O)N(CCO)CCO AOMUHOFOVNGZAN-UHFFFAOYSA-N CCCCCCCCCCCC(=O)N(CCO)CCO TR-480 NE NE NE SE Yes 93-83-4 Oleic Acid Diethanolamine Condensate DTXSID8026563 CCCCCCCC\C=C/CCCCCCCC(=O)N(CCO)CCO LPMBTLLQQJBUOO-KTKRTIGZSA-N CCCCCCCCC=CCCCCCCCC(=O)N(CCO)CCO TR-481 NE NE NE NE Yes 98-00-0 Furfuryl alcohol DTXSID2025347 OCC1=CC=CO1 XPFVYQJUAUNWIW-UHFFFAOYSA-N OCC1=CC=CO1 TR-482 SE EE SE NE Yes 87-86-5 "Pentachlorophenol, purified" DTXSID7021106 OC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl IZUPBVBPLAPZRR-UHFFFAOYSA-N OC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl TR-483 SE NE NT NT Yes 111-76-2 2-Butoxyethanol (ethylene glycol monobutyl ether) DTXSID1024097 CCCCOCCO POAOYUHQDCAZBD-UHFFFAOYSA-N CCCCOCCO TR-484 NE EE SE SE Yes 434-07-1 Oxymetholone DTXSID5023794 [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)\C(C[C@]12C)=C/O ICMWWNHDUZJFDW-DHODBPELSA-N CC1(O)CCC2C3CCC4CC(=O)C(CC4(C)C3CCC12C)C=O TR-485 EE CE NT NT Yes 78-79-5 Isoprene DTXSID2020761 CC(=C)C=C RRHGJUQNOFWUDK-UHFFFAOYSA-N CC(=C)C=C TR-486 CE SE NT NT Yes 115-11-7 Isobutene DTXSID9020748 CC(C)=C VQTUBCCKSQIDNK-UHFFFAOYSA-N CC(C)=C TR-487 SE NE NE NE No 111-30-8 Glutaraldehyde DTXSID6025355 O=CCCCC=O SXRSQZLOMIGNAQ-UHFFFAOYSA-N O=CCCCC=O TR-490 NE NE NE NE Yes 93-15-2 Methyleugenol DTXSID5025607 COC1=CC=C(CC=C)C=C1OC ZYEMGPIYFIJGTP-UHFFFAOYSA-N COC1=CC=C(CC=C)C=C1OC TR-491 CE CE CE CE Yes 1303-00-0 Gallium arsenide DTXSID2023779 [Ga]#[As] JBRZTFJDHDCESZ-UHFFFAOYSA-N - TR-492 NE CE NE NE No 518-82-1 Emodin DTXSID5025231 CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C=C3C(=O)C2=C1 RHMXXJGYXNZAPX-UHFFFAOYSA-N CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C=C3C(=O)C2=C1 TR-493 NE EE EE NE Yes 84-65-1 Anthraquinone DTXSID3020095 O=C1C2=C(C=CC=C2)C(=O)C2=C1C=CC=C2 RZVHIXYEVGDQDX-UHFFFAOYSA-N O=C1C2=C(C=CC=C2)C(=O)C2=C1C=CC=C2 TR-494 SE CE CE CE Yes 7632-00-0 Sodium nitrite DTXSID0020941 [Na+].[O-]N=O LPXPTNMVRIOKMN-UHFFFAOYSA-M - TR-495 NE NE NE EE Yes 116355-83-0 Fumonisin B1 DTXSID6020644 CCCC[C@H](C)[C@@H](OC(=O)C[C@H](CC(O)=O)C(O)=O)[C@@H](C[C@H](C)C[C@@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(O)=O)C(O)=O UVBUBMSSQKOIBE-ZWKVXHQASA-N CCCCC(C)C(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CC(O)CCCCC(O)CC(O)C(C)N)OC(=O)CC(CC(O)=O)C(O)=O TR-496 CE NE NE CE No 126-98-7 Methacrylonitrile DTXSID1024176 CC(=C)C#N GYCMBHHDWRMZGG-UHFFFAOYSA-N CC(=C)C#N TR-497 NE NE NE NE Yes 99-99-0 p-Nitrotoluene DTXSID5023792 CC1=CC=C(C=C1)[N+]([O-])=O ZPTVNYMJQHSSEA-UHFFFAOYSA-N CC1=CC=C(C=C1)[N+]([O-])=O TR-498 EE SE EE NE Yes 22398-80-7 Indium phosphide DTXSID3031444 P#[In] GPXJNWSHGFTCBW-UHFFFAOYSA-N - TR-499 CE CE CE CE Yes 91-20-3 Naphthalene DTXSID8020913 C1=CC2=CC=CC=C2C=C1 UFWIBTONFRDIAS-UHFFFAOYSA-N C1=CC2=CC=CC=C2C=C1 TR-500 CE CE NT NT Yes 80-07-9 "p,p'-Dichlorodiphenyl Sulfone" DTXSID9024986 ClC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(Cl)C=C1 GPAPPPVRLPGFEQ-UHFFFAOYSA-N ClC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(Cl)C=C1 TR-501 NE NE NE NE Yes 302-17-0 Chloral hydrate DTXSID7020261 OC(O)C(Cl)(Cl)Cl RNFNDJAIBTYOQL-UHFFFAOYSA-N OC(O)C(Cl)(Cl)Cl TR-502 NT NT NT EE Yes 302-17-0 Chloral hydrate DTXSID7020261 OC(O)C(Cl)(Cl)Cl RNFNDJAIBTYOQL-UHFFFAOYSA-N OC(O)C(Cl)(Cl)Cl TR-503 NT NT SE NT Yes 88-72-2 o-Nitrotoluene DTXSID4025791 CC1=CC=CC=C1[N+]([O-])=O PLAZTCDQAHEYBI-UHFFFAOYSA-N CC1=CC=CC=C1[N+]([O-])=O TR-504 CE CE CE CE Yes 5392-40-5 Citral DTXSID6024836 CC(C)=CCCC(C)=CC=O WTEVQBCEXWBHNA-UHFFFAOYSA-N CC(C)=CCCC(C)=CC=O TR-505 NE NE NE EE Yes 107-13-1 Acrylonitrile DTXSID5020029 C=CC#N NLHHRLWOUZZQLW-UHFFFAOYSA-N C=CC#N TR-506 NT NT CE CE Yes 1314-62-1 Vanadium pentoxide DTXSID2023806 O=[V](=O)O[V](=O)=O GNTDGMZSJNCJKK-UHFFFAOYSA-N - TR-507 SE EE CE CE No 23246-96-0 Riddelliine DTXSID4026006 C\C=C1\CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 SVCNNZDUGWLODJ-RAYFHMIRSA-N CC=C1CC(=C)C(O)(CO)C(=O)OCC2=CCN3CCC(OC1=O)C23 TR-508 CE CE CE CE No 142-83-6 "2,4-Hexadienal" DTXSID2025391 C\C=C\C=C\C=O BATOPAZDIZEVQF-MQQKCMAXSA-N CC=CC=CC=O TR-509 CE CE CE CE Yes 64-17-5 Ethanol DTXSID9020584 CCO LFQSCWFLJHTTHZ-UHFFFAOYSA-N CCO TR-510 NT NT IS IS Yes 51-79-6 Urethane DTXSID9021427 CCOC(N)=O JOYRKODLDBILNP-UHFFFAOYSA-N CCOC(N)=O TR-510 NT NT CE CE Yes 25265-71-8 Dipropylene glycol DTXSID0027856 - - - TR-511 NE NE NE NE Yes 37319-17-8 Elmiron (sodium pentosanpolysulfate) DTXSID1025229 - - - TR-512 NE NE SE SE No 91-17-8 Decalin DTXSID1024912 C1CCC2CCCCC2C1 NNBZCPXTIHJBJL-UHFFFAOYSA-N C1CCC2CCCCC2C1 TR-513 CE NE NE EE Yes 14371-10-9 trans-Cinnamaldehyde DTXSID6024834 O=C\C=C\C1=CC=CC=C1 KJPRLNWUNMBNBZ-QPJJXVBHSA-N O=CC=CC1=CC=CC=C1 TR-514 NE NE NE NE Yes 57018-52-7 Propylene glycol mono-t-butyl ether DTXSID8025967 CC(O)COC(C)(C)C GQCZPFJGIXHZMB-UHFFFAOYSA-N CC(O)COC(C)(C)C TR-515 EE NE CE CE Yes 693-98-1 2-Methylimidazole DTXSID4022107 CC1=NC=CN1 LXBGSDVWAMZHDD-UHFFFAOYSA-N CC1=NC=CN1 TR-516 SE CE SE SE Yes 9/9/7775 Water disinfection byproducts (Sodium chlorate) DTXSID7026025 [Na+].[O-][Cl](=O)=O YZHUMGUJCQRKBT-UHFFFAOYSA-M - TR-517 SE SE NE EE Yes 102-71-6 Triethanolamine DTXSID9021392 OCCN(CCO)CCO GSEJCLTVZPLZKY-UHFFFAOYSA-N OCCN(CCO)CCO TR-518 NT NT EE SE Yes 64742-88-7 Stoddard solvent (type lIC) DTXSID4026052 - - - TR-519 SE NE NE EE No 57465-28-8 "Toxic equivalency factor evaluation ((PCB 126) 3,3',4,4',5-pentachlorobiphenyl)" DTXSID3032179 ClC1=CC(=CC(Cl)=C1Cl)C1=CC(Cl)=C(Cl)C=C1 REHONNLQRWTIFF-UHFFFAOYSA-N ClC1=CC(=CC(Cl)=C1Cl)C1=CC(Cl)=C(Cl)C=C1 TR-520 NT CE NT NT No 1746-01-6 TEF evaluation (TCDD) DTXSID2021315 ClC1=CC2=C(OC3=C(O2)C=C(Cl)C(Cl)=C3)C=C1Cl HGUFODBRKLSHSI-UHFFFAOYSA-N ClC1=CC2=C(OC3=C(O2)C=C(Cl)C(Cl)=C3)C=C1Cl TR-521 NT CE NT NT Yes 30516-87-1 AZT transplacental carcinogenesis study DTXSID8020127 CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O HBOMLICNUCNMMY-XLPZGREQSA-N CC1=CN(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)N=C1O TR-522 NT NT CE NE Yes 693-13-0 Diisopropylcarbodiimide DTXSID4025086 CC(C)N=C=NC(C)C BDNKZNFMNDZQMI-UHFFFAOYSA-N CC(C)N=C=NC(C)C TR-523 NE NE NE NE Yes 69-72-7 Salicylic Acid (Photocarcinogenesis Study) DTXSID7026368 OC(=O)C1=C(O)C=CC=C1 YGSDEFSMJLZEOE-UHFFFAOYSA-N OC(=O)C1=C(O)C=CC=C1 TR-524 NT NT NE NE Yes 79-14-1 Glycolic Acid (Photocarcinogenesis Study) DTXSID0025363 OCC(O)=O AEMRFAOFKBGASW-UHFFFAOYSA-N OCC(O)=O TR-524 NT NT NE NE Yes 57117-31-4 TEF evaluation (PECDF (Pentachlorodibenzofuran)) DTXSID7030066 ClC1=CC2=C(C=C1Cl)C1=C(O2)C(Cl)=C(Cl)C(Cl)=C1 OGBQILNBLMPPDP-UHFFFAOYSA-N ClC1=CC2=C(C=C1Cl)C1=C(O2)C(Cl)=C(Cl)C(Cl)=C1 TR-525 NT SE NT NT No 129-73-7 Leucomalachite green DTXSID7031531 CN(C)C1=CC=C(C=C1)C(C1=CC=CC=C1)C1=CC=C(C=C1)N(C)C WZKXBGJNNCGHIC-UHFFFAOYSA-N CN(C)C1=CC=C(C=C1)C(C1=CC=CC=C1)C1=CC=C(C=C1)N(C)C TR-527 EE EE NT SE Yes 569-64-2 Malachite green DTXSID1025512 [Cl-].CN(C)C1=CC=C(C=C1)C(C1=CC=CC=C1)=C1C=CC(C=C1)=[N+](C)C FDZZZRQASAIRJF-UHFFFAOYSA-M CN(C)C1=CC=C(C=C1)C(C1=CC=CC=C1)=C1C=CC(C=C1)=[N+](C)C TR-527 NT EE NT NE Yes 35065-27-1 "Toxic equivalency factor evaluation (PCB 153- 2,2'-4,4',5,5'-hexachlorobiphenyl)" DTXSID2032180 ClC1=CC(Cl)=C(C=C1Cl)C1=CC(Cl)=C(Cl)C=C1Cl MVWHGTYKUMDIHL-UHFFFAOYSA-N ClC1=CC(Cl)=C(C=C1Cl)C1=CC(Cl)=C(Cl)C=C1Cl TR-529 NT EE NT NT Yes 75-27-4 Water disinfection byproducts (Bromodichloromethane) DTXSID1020198 ClC(Cl)Br FMWLUWPQPKEARP-UHFFFAOYSA-N ClC(Cl)Br TR-532 NE NT NT NE Yes 119-61-9 Benzophenone DTXSID0021961 O=C(C1=CC=CC=C1)C1=CC=CC=C1 RWCCWEUUXYIKHB-UHFFFAOYSA-N O=C(C1=CC=CC=C1)C1=CC=CC=C1 TR-533 SE EE SE SE Yes 1321-74-0 Divinylbenzene DTXSID2025216 "*C=C.C=CC1=CC=CC=C1 |c:6,8,t:4,m:0:6.8|" - - TR-534 EE NE NE EE Yes 822-36-6 4-Methylimidazole DTXSID9025617 CC1=CNC=N1 XLSZMDLNRCVEIJ-UHFFFAOYSA-N CC1=CNC=N1 TR-535 NE EE CE CE Yes 111-91-1 bis(2-Chloroethoxy)methane DTXSID4023917 ClCCOCOCCCl NLXGURFLBLRZRO-UHFFFAOYSA-N ClCCOCOCCCl TR-536 NE NE NE NE Yes 631-64-1 Water disinfection byproducts (Dibromoacetic acid) DTXSID1023815 OC(=O)C(Br)Br SIEILFNCEFEENQ-UHFFFAOYSA-N OC(=O)C(Br)Br TR-537 SE SE CE CE Yes 108-10-1 Methyl isobutyl ketone DTXSID5021889 CC(C)CC(C)=O NTIZESTWPVYFNL-UHFFFAOYSA-N CC(C)CC(C)=O TR-538 SE EE SE SE Yes 7220-79-3 Methylene blue trihydrate DTXSID0025600 O.O.O.[Cl-].CN(C)C1=CC2=[S+]C3=C(C=CC(=C3)N(C)C)N=C2C=C1 XQAXGZLFSSPBMK-UHFFFAOYSA-M CN(C)C1=CC2=[S+]C3=C(C=CC(=C3)N(C)C)N=C2C=C1 TR-540 SE NE SE EE Yes 75-12-7 Formamide DTXSID8025337 NC=O ZHNUHDYFZUAESO-UHFFFAOYSA-N NC=O TR-541 NE NE CE EE Yes 98-82-8 Cumene DTXSID1021827 CC(C)C1=CC=CC=C1 RWGFKTVRMDUZSP-UHFFFAOYSA-N CC(C)C1=CC=CC=C1 TR-542 CE SE CE CE Yes 98-83-9 alpha-Methylstyrene DTXSID9025661 CC(=C)C1=CC=CC=C1 XYLMUPLGERFSHI-UHFFFAOYSA-N CC(=C)C1=CC=CC=C1 TR-543 SE NE EE CE Yes 3252-43-5 Water disinfection byproducts (Dibromoacetonitrile) DTXSID3024940 BrC(Br)C#N NDSBDLSWTGLNQA-UHFFFAOYSA-N BrC(Br)C#N TR-544 CE SE CE CE Yes 446-72-0 Genistein F1T140 DTXSID5022308 OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O TZBJGXHYKVUXJN-UHFFFAOYSA-N OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O TR-545 NE EE NT NT Yes 446-72-0 Genistein F3T21 DTXSID5022308 OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O TZBJGXHYKVUXJN-UHFFFAOYSA-N OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O TR-545 NE EE NT NT Yes 446-72-0 Genistein F1C DTXSID5022308 OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O TZBJGXHYKVUXJN-UHFFFAOYSA-N OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O TR-545 NE SE NT NT Yes 7789-12-0 Sodium dichromate dihydrate (VI) DTXSID6032061 O.O.[Na+].[Na+].[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O JYDRNIYTFCBIFC-UHFFFAOYSA-N - TR-546 CE CE CE CE Yes 57-63-6 Endocrine disruptor (Ethinyl estradiol) DTXSID5020576 [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 BFPYWIDHMRZLRN-SLHNCBLASA-N CC12CCC3C(CCC4=C3C=CC(O)=C4)C1CCC2(O)C#C TR-548 EE EE NT NT Yes 5589-96-8 Water disinfection byproducts (Bromochloroacetic acid) DTXSID4024642 OC(=O)C(Cl)Br GEHJBWKLJVFKPS-UHFFFAOYSA-N OC(=O)C(Cl)Br TR-549 CE CE CE CE Yes 1319-77-3 Cresols DTXSID3024364 "C*.OC1=CC=CC=C1 |c:4,6,t:2,lp:2:2,m:1:6.7.8|" - - TR-550 EE NT NT SE Yes 97-54-1 Isoeugenol DTXSID7022413 COC1=CC(C=CC)=CC=C1O BJIOGJUNALELMI-UHFFFAOYSA-N COC1=CC(C=CC)=CC=C1O TR-551 EE NE CE EE Yes 107-19-7 Propargyl alcohol DTXSID5021883 OCC#C TVDSBUOJIPERQY-UHFFFAOYSA-N OCC#C TR-552 SE NE SE SE Yes 67-47-0 5-(Hydroxymethyl)-2-furfural DTXSID3030428 OCC1=CC=C(O1)C=O NOEGNKMFWQHSLB-UHFFFAOYSA-N OCC1=CC=C(O1)C=O TR-554 NE NE NE SE Yes 35691-65-7 "1,2-Dibromo-2,4-Dicyanobutane" DTXSID3024944 BrCC(Br)(CCC#N)C#N DHVLDKHFGIVEIP-UHFFFAOYSA-N BrCC(Br)(CCC#N)C#N TR-555 NE NE NE NE Yes 27882-76-4 Chromium picolinate monohydrate DTXSID8031025 O.[Cr+3].[O-]C(=O)C1=NC=CC=C1.[O-]C(=O)C1=NC=CC=C1.[O-]C(=O)C1=NC=CC=C1 XIGVJNARZKLHPA-UHFFFAOYSA-K - TR-556 EE NE NE NE No 123-35-3 beta-Myrcene DTXSID6025692 CC(C)=CCCC(=C)C=C UAHWPYUMFXYFJY-UHFFFAOYSA-N CC(C)=CCCC(=C)C=C TR-557 CE EE CE EE Yes 14047-09-7 "3,3',4,4'-Tetrachloroazobenzene" DTXSID6026086 ClC1=CC=C(C=C1Cl)\N=N\C1=CC(Cl)=C(Cl)C=C1 SOBGIMQKWDUEPY-ISLYRVAYSA-N ClC1=CC=C(C=C1Cl)N=NC1=CC(Cl)=C(Cl)C=C1 TR-558 CE CE CE CE No 31508-00-6 TEF evaluation (PCB 118) DTXSID4032116 ClC1=CC(Cl)=C(C=C1Cl)C1=CC(Cl)=C(Cl)C=C1 IUTPYMGCWINGEY-UHFFFAOYSA-N ClC1=CC(Cl)=C(C=C1Cl)C1=CC(Cl)=C(Cl)C=C1 TR-559 NT CE NT NT No 63-05-8 Androstenedione DTXSID8024523 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C AEMFNILZOJDQLW-QAGGRKNESA-N CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2=O TR-560 EE EE CE CE Yes 119-64-2 Tetralin DTXSID1026118 C1CCC2=C(C1)C=CC=C2 CXWXQJXEFPUFDZ-UHFFFAOYSA-N C1CCC2=C(C1)C=CC=C2 TR-561 SE SE NE EE Yes 89-82-7 Pulegone DTXSID2025975 C[C@@H]1CCC(=C(C)C)C(=O)C1 NZGWDASTMWDZIW-MRVPVSSYSA-N CC1CCC(=C(C)C)C(=O)C1 TR-563 NE SE CE CE Yes 106-94-5 1-Bromopropane DTXSID6021874 CCCBr CYNYIHKIEHGYOZ-UHFFFAOYSA-N CCCBr TR-564 SE CE NE CE Yes 84604-20-6 Milk thistle extract DTXSID8031657 - - - TR-565 NE NE NE NE No 109-89-7 Diethylamine DTXSID6021909 CCNCC HPNMFZURTQLUMO-UHFFFAOYSA-N CCNCC TR-566 NE NE NE NE Yes 50647-08-0 Ginseng DTXSID1023780 - - - TR-567 NE NE NE NE No 134678-17-4 Lamivudine (3TC) DTXSID7023194 NC1=NC(=O)N(C=C1)[C@H]1CS[C@@H](CO)O1 JTEGQNOMFQHVDC-RQJHMYQMSA-N NC1=NC(=O)N(C=C1)C1CSC(CO)O1 TR-569 NT NT NE EE Yes 30516-87-1 3'-Azido-3'-deoxythymidine (AIDS) (AZT) DTXSID8020127 CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O HBOMLICNUCNMMY-XLPZGREQSA-N CC1=CN(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)N=C1O TR-569 NT NT NE EE Yes 129618-40-2 Nevirapine (NVP) DTXSID7031797 CC1=CC=NC2=C1NC(=O)C1=CC=CN=C1N2C1CC1 NQDJXKOVJZTUJA-UHFFFAOYSA-N CC1=CC=NC2=C1NC(=O)C1=CC=CN=C1N2C1CC1 TR-569 NT NT SE EE Yes 159989-65-8 Nelfinavir Mesylate (NFV)  DTXSID2033736 CS(O)(=O)=O.CC1=C(C=CC=C1O)C(=O)N[C@@H](CSC1=CC=CC=C1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C NQHXCOAXSHGTIA-SKXNDZRYSA-N CC1=C(O)C=CC=C1C(=O)NC(CSC1=CC=CC=C1)C(O)CN1CC2CCCCC2CC1C(=O)NC(C)(C)C TR-569 NT NT NE NE Yes 76231-76-0 alpha/beta Thujone mixture DTXSID3040774 CC(C)[C@@]12C[C@@H]1C(C)C(=O)C2 USMNOWBWPHYOEA-VWHDNNRLSA-N CC(C)C12CC1C(C)C(=O)C2 TR-570 SE NE NE NE Yes 9000-38-8 Kava kava extract DTXSID5031505 - - - TR-571 EE NE CE CE No 1896-62-4 Methyl trans-Styryl Ketone DTXSID1031626 CC(=O)\C=C\C1=CC=CC=C1 BWHOZHOGCMHOBV-BQYQJAHWSA-N CC(=O)C=CC1=CC=CC=C1 TR-572 NE NE NE NE Yes 87-66-1 Pyrogallol DTXSID6025983 OC1=CC=CC(O)=C1O WQGWDDDVZFFDIG-UHFFFAOYSA-N OC1=CC=CC(O)=C1O TR-574 NE NE EE SE Yes 79-06-1 Acrylamide DTXSID5020027 NC(=O)C=C HRPVXLWXLXDGHG-UHFFFAOYSA-N NC(=O)C=C TR-575 CE CE CE CE Yes 15625-89-5 Trimethylolpropane triacrylate DTXSID0027773 CCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C DAKWPKUUDNSNPN-UHFFFAOYSA-N CCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C TR-576 EE NE NE SE Yes 90045-36-6 Ginkgo biloba extract DTXSID8031366 - - - TR-578 SE SE CE CE Yes 99-97-8 "N,N-Dimethyl-p-toluidine" DTXSID0021832 CN(C)C1=CC=C(C)C=C1 GYVGXEWAOAAJEU-UHFFFAOYSA-N CN(C)C1=CC=C(C)C=C1 TR-579 CE CE CE CE Yes 108-99-6 ?-Picoline DTXSID9021897 CC1=CC=CN=C1 ITQTTZVARXURQS-UHFFFAOYSA-N CC1=CC=CN=C1 TR-580 NE SE EE CE Yes 7440-48-4 Cobalt Metal DTXSID1031040 [Co] GUTLYIVDDKVIGB-UHFFFAOYSA-N - TR-581 CE CE CE CE No 75-35-4 Vinylidene Chloride DTXSID8021438 ClC(Cl)=C LGXVIGDEPROXKC-UHFFFAOYSA-N ClC(Cl)=C TR-582 CE SE CE CE Yes 71133-14-7 Bromodichloroacetic Acid DTXSID4024644 OC(=O)C(Cl)(Cl)Br XSWVFEQKZFUULO-UHFFFAOYSA-N OC(=O)C(Cl)(Cl)Br TR-583 CE CE CE CE Yes 700-06-1 Indole-3-Carbinol DTXSID7031458 OCC1=CNC2=C1C=CC=C2 IVYPNXXAYMYVSP-UHFFFAOYSA-N OCC1=CNC2=C1C=CC=C2 TR-584 NE SE CE NE Yes 79-94-7 Tetrabromobisphenol A DTXSID1026081 CC(C)(C1=CC(Br)=C(O)C(Br)=C1)C1=CC(Br)=C(O)C(Br)=C1 VEORPZCZECFIRK-UHFFFAOYSA-N CC(C)(C1=CC(Br)=C(O)C(Br)=C1)C1=CC(Br)=C(O)C(Br)=C1 TR-587 EE CE SE NE Yes 5694-00-8 Glycidamide DTXSID2031374 NC(=O)C1CO1 FMAZQSYXRGRESX-UHFFFAOYSA-N NC(=O)C1CO1 TR-588 CE CE CE CE Yes 32534-81-9 Pentabromodiphenyl Ether Mixture [DE-71 (Technical Grade)] DTXSID2024246 "[*]C1=C([*])C([*])=C(OC2=C([*])C([*])=C([*])C([*])=C2[*])C([*])=C1[*] |$_R1;;;_R1;;_R1;;;;;_R1;;_R1;;_R1;;_R1;;_R1;;_R1;;_R1$,c:1,8,16,21,t:5,12,lp:7:2,RG:_R1={Br* |$;_AP1$,lp:0:2|},LOG={_R1:;H;5}|" - - TR-589 CE CE CE CE Yes 1309-64-4 Antimony Trioxide DTXSID4023880 O=[Sb]O[Sb]=O ADCOVFLJGNWWNZ-UHFFFAOYSA-N - TR-590 SE SE CE CE No 2/5/5263 "Zinc Carbonate, Basic" DTXSID4040212 [OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zn++].[Zn++].[Zn++].[Zn++].[Zn++].[O-]C([O-])=O.[O-]C([O-])=O UOURRHZRLGCVDA-UHFFFAOYSA-D - TR-592 EE NE NT NT No 431-03-8 "2,3-Butanedione" DTXSID6021583 CC(=O)C(C)=O QSJXEFYPDANLFS-UHFFFAOYSA-N CC(=O)C(C)=O TR-593 SE SE NE EE Yes 98-56-6 "p-Chloro-a,a,a-trifluorotoluene" DTXSID7024821 FC(F)(F)C1=CC=C(Cl)C=C1 QULYNCCPRWKEMF-UHFFFAOYSA-N FC(F)(F)C1=CC=C(Cl)C=C1 TR-594 SE SE CE CE Yes