"CASRN"	"DTXSID"	"Chemical_Name"	"Structure_Source"	"Canonical_QSARr"	"Salt_Solvent"	"InChI_Code_QSARr"	"InChI_Key_QSARr"	"very_toxic"	"nontoxic"	"LD50_mgkg"	"EPA_category"	"GHS_category"
"100-00-5"	"DTXSID5020281"	"1-Chloro-4-nitrobenzene"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H"	"CZGCEKJOLUNIFY-UHFFFAOYSA-N"	FALSE	FALSE	460	2	4
"100-01-6"	"DTXSID8020961"	"4-Nitroaniline"	"EPA_DSSTox"	"NC1=CC=C(C=C1)[N+]([O-])=O"	"?"	"InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2"	"TYMLOMAKGOJONV-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"100-02-7"	"DTXSID0021834"	"4-Nitrophenol"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H"	"BTJIUGUIPKRLHP-UHFFFAOYSA-N"	FALSE	FALSE	170	2	3
"100-14-1"	"DTXSID4025745"	"4-Nitrobenzyl chloride"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC(CCl)=CC=1"	"?"	"InChI=1S/C7H6ClNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2"	"KGCNHWXDPDPSBV-UHFFFAOYSA-N"	FALSE	FALSE	1809	3	4
"100-15-2"	"DTXSID7025635"	"N-Methyl-4-nitroaniline"	"EPA_DSSTox"	"CNC1C=CC(=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C7H8N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H3"	"XIFJZJPMHNUGRA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"100-17-4"	"DTXSID9059208"	"p-Nitroanisole"	"EPA_DSSTox"	"COC1C=CC(=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3"	"BNUHAJGCKIQFGE-UHFFFAOYSA-N"	FALSE	TRUE	2300	3	5
"100-18-5"	"DTXSID2026652"	"1,4-Diisopropylbenzene"	"EPA_DSSTox"	"CC(C)C1C=CC(=CC=1)C(C)C"	"?"	"InChI=1S/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3"	"SPPWGCYEYAMHDT-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"100-20-9"	"DTXSID7026653"	"1,4-Benzenedicarbonyl dichloride"	"EPA_DSSTox"	"O=C(Cl)C1C=CC(=CC=1)C(=O)Cl"	"?"	"InChI=1S/C8H4Cl2O2/c9-7(11)5-1-2-6(4-3-5)8(10)12/h1-4H"	"LXEJRKJRKIFVNY-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"100-21-0"	"DTXSID6026080"	"Terephthalic acid"	"EPA_DSSTox"	"OC(=O)C1C=CC(=CC=1)C(O)=O"	"?"	"InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)"	"KKEYFWRCBNTPAC-UHFFFAOYSA-N"	FALSE	FALSE	1960	3	4
"100-28-7"	"DTXSID80870440"	"1-Isocyanato-4-nitro-benzene"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC(=CC=1)N=C=O"	"?"	"InChI=1S/C7H4N2O3/c10-5-8-6-1-3-7(4-2-6)9(11)12/h1-4H"	"GFNKTLQTQSALEJ-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"100-29-8"	"DTXSID7026655"	"1-Ethoxy-4-nitrobenzene"	"EPA_DSSTox"	"CCOC1C=CC(=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C8H9NO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3"	"NWPKEYHUZKMWKJ-UHFFFAOYSA-N"	FALSE	TRUE	3300	3	5
"100-35-6"	"DTXSID8043868"	"Ethanamine, 2-chloro-N,N-diethyl-"	"EPA_DSSTox"	"CCN(CCCl)CC"	"?"	"InChI=1S/C6H14ClN/c1-3-8(4-2)6-5-7/h3-6H2,1-2H3"	"YMDNODNLFSHHCV-UHFFFAOYSA-N"	TRUE	FALSE	17	1	2
"100-36-7"	"DTXSID7057606"	"2-Aminoethyldiethylamine"	"EPA_DSSTox"	"CCN(CCN)CC"	"?"	"InChI=1S/C6H16N2/c1-3-8(4-2)6-5-7/h3-7H2,1-2H3"	"UDGSVBYJWHOHNN-UHFFFAOYSA-N"	FALSE	TRUE	2830	3	5
"100-37-8"	"DTXSID5021837"	"N,N-Diethylethanolamine"	"EPA_DSSTox"	"CCN(CCO)CC"	"?"	"InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3"	"BFSVOASYOCHEOV-UHFFFAOYSA-N"	FALSE	FALSE	1300	3	4
"100-40-3"	"DTXSID3021437"	"4-Vinylcyclohexene"	"EPA_DSSTox"	"C=CC1CC=CCC1"	"?"	"InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2"	"BBDKZWKEPDTENS-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"100-42-5"	"DTXSID2021284"	"Styrene"	"EPA_DSSTox"	"C=CC1C=CC=CC=1"	"?"	"InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2"	"PPBRXRYQALVLMV-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"100-44-7"	"DTXSID0020153"	"Benzyl chloride"	"EPA_DSSTox"	"ClCC1C=CC=CC=1"	"?"	"InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2"	"KCXMKQUNVWSEMD-UHFFFAOYSA-N"	FALSE	FALSE	440	2	4
"100-45-8"	"DTXSID70861706"	"3-?Cyclohexene-?1-?carbonitrile"	"EPA_DSSTox"	"N#CC1CC=CCC1"	"?"	"InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-2,7H,3-5H2"	"GYBNBQFUPDFFQX-UHFFFAOYSA-N"	FALSE	FALSE	460	2	4
"100-51-6"	"DTXSID5020152"	"Benzyl alcohol"	"EPA_DSSTox"	"OCC1C=CC=CC=1"	"?"	"InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2"	"WVDDGKGOMKODPV-UHFFFAOYSA-N"	FALSE	FALSE	1230	3	4
"100-52-7"	"DTXSID8039241"	"Benzaldehyde"	"EPA_DSSTox"	"O=CC1C=CC=CC=1"	"?"	"InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H"	"HUMNYLRZRPPJDN-UHFFFAOYSA-N"	FALSE	FALSE	1300	3	4
"100-53-8"	"DTXSID6026664"	"Benzenemethanethiol"	"EPA_DSSTox"	"SCC1C=CC=CC=1"	"?"	"InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2"	"UENWRTRMUIOCKN-UHFFFAOYSA-N"	FALSE	FALSE	493	2	4
"100-54-9"	"DTXSID1026665"	"3-Pyridinecarbonitrile"	"EPA_DSSTox"	"N#CC1=CN=CC=C1"	"?"	"InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H"	"GZPHSAQLYPIAIN-UHFFFAOYSA-N"	FALSE	FALSE	1185	3	4
"100-60-7"	"DTXSID3059216"	"Cyclohexanamine, N-methyl-"	"EPA_DSSTox"	"CNC1CCCCC1"	"?"	"InChI=1S/C7H15N/c1-8-7-5-3-2-4-6-7/h7-8H,2-6H2,1H3"	"XTUVJUMINZSXGF-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"100-61-8"	"DTXSID9021841"	"N-Methylaniline"	"EPA_DSSTox"	"CNC1C=CC=CC=1"	"?"	"InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3"	"AFBPFSWMIHJQDM-UHFFFAOYSA-N"	FALSE	FALSE	716	3	4
"100-63-0"	"DTXSID8021147"	"Phenylhydrazine"	"EPA_DSSTox"	"NNC1C=CC=CC=1"	"?"	"InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2"	"HKOOXMFOFWEVGF-UHFFFAOYSA-N"	FALSE	FALSE	188	2	3
"100-65-2"	"DTXSID3025889"	"N-Phenylhydroxylamine"	"EPA_DSSTox"	"ONC1C=CC=CC=1"	"?"	"InChI=1S/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-5,7-8H"	"CKRZKMFTZCFYGB-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"100-66-3"	"DTXSID4041608"	"Anisole"	"EPA_DSSTox"	"COC1C=CC=CC=1"	"?"	"InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3"	"RDOXTESZEPMUJZ-UHFFFAOYSA-N"	FALSE	TRUE	3700	3	5
"100-68-5"	"DTXSID8059217"	"Benzene, (methylthio)-"	"EPA_DSSTox"	"CSC1C=CC=CC=1"	"?"	"InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3"	"HNKJADCVZUBCPG-UHFFFAOYSA-N"	FALSE	FALSE	891	3	4
"100-69-6"	"DTXSID1026667"	"2-Vinylpyridine"	"EPA_DSSTox"	"C=CC1=CC=CC=N1"	"?"	"InChI=1S/C7H7N/c1-2-7-5-3-4-6-8-7/h2-6H,1H2"	"KGIGUEBEKRSTEW-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"100-73-2"	"DTXSID30274151"	"3,4-Dihydro-2H-pyran-2-carbaldehyde"	"EPA_DSSTox"	"O=CC1CCC=CO1"	"?"	"InChI=1S/C6H8O2/c7-5-6-3-1-2-4-8-6/h2,4-6H,1,3H2"	"NPWYTMFWRRIFLK-UHFFFAOYSA-N"	FALSE	TRUE	4920	3	5
"100-74-3"	"DTXSID5025312"	"N-Ethylmorpholine"	"EPA_DSSTox"	"CCN1CCOCC1"	"?"	"InChI=1S/C6H13NO/c1-2-7-3-5-8-6-4-7/h2-6H2,1H3"	"HVCNXQOWACZAFN-UHFFFAOYSA-N"	FALSE	FALSE	1780	3	4
"100-86-7"	"DTXSID1047601"	"2-Methyl-1-phenylpropan-2-ol"	"EPA_DSSTox"	"CC(C)(O)CC1C=CC=CC=1"	"?"	"InChI=1S/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3"	"RIWRBSMFKVOJMN-UHFFFAOYSA-N"	FALSE	FALSE	1280	3	4
"100-87-8"	"DTXSID2059221"	"Benzenemethanesulfonic acid"	"EPA_DSSTox"	"OS(=O)(=O)CC1C=CC=CC=1"	"?"	"InChI=1S/C7H8O3S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,8,9,10)"	"NIXKBAZVOQAHGC-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"100-89-0"	"DTXSID30861707"	"Tri(2-methyl-2,4-pentanediol)biborate"	"EPA_DSSTox"	"CC1(C)CC(C)OB(O1)OC(C)(C)CC(C)OB1OC(C)(C)CC(C)O1"	"?"	"InChI=1S/C18H36B2O6/c1-13-10-16(4,5)24-19(21-13)22-14(2)11-17(6,7)25-20-23-15(3)12-18(8,9)26-20/h13-15H,10-12H2,1-9H3"	"QXMQBCRKITYLGR-UHFFFAOYSA-N"	FALSE	TRUE	4724	3	5
"100-95-8"	"DTXSID20878647"	"Dodecarbonium Chloride"	"EPA_DSSTox"	"CCCCCCCCCCCC/N=C(\O)/C[N+](C)(C)CC1C=CC=CC=1"	"Cl"	"InChI=1S/C23H40N2O/c1-4-5-6-7-8-9-10-11-12-16-19-24-23(26)21-25(2,3)20-22-17-14-13-15-18-22/h13-15,17-18H,4-12,16,19-21H2,1-3H3/p+1"	"DYKFIFLJEJVONL-UHFFFAOYSA-O"	FALSE	FALSE	100	2	3
"100-97-0"	"DTXSID6020692"	"Methenamine"	"EPA_DSSTox"	"C1N2CN3CN1CN(C2)C3"	"?"	"InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2"	"VKYKSIONXSXAKP-UHFFFAOYSA-N"	FALSE	TRUE	9200	4	5
"1000-70-0"	"DTXSID0061379"	"Silanamine, N,N'-methanetetraylbis[1,1,1-trimethyl-"	"EPA_DSSTox"	"C[Si](C)(C)N=C=N[Si](C)(C)C"	"?"	"InChI=1S/C7H18N2Si2/c1-10(2,3)8-7-9-11(4,5)6/h1-6H3"	"KSVMTHKYDGMXFJ-UHFFFAOYSA-N"	FALSE	FALSE	1728	3	4
"10004-44-1"	"DTXSID3032622"	"Hymexazol"	"EPA_DSSTox"	"CC1=CC(=O)NO1"	"?"	"InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)"	"KGVPNLBXJKTABS-UHFFFAOYSA-N"	FALSE	TRUE	3112	3	5
"100093-45-6"	"DTXSID90142928"	"Benzoic acid, 2,2'-((2-((3,4-dimethoxyphenyl)methylene)-1,3-dioxo-1,3-propanediyl)diimino)bis-"	"EPA_DSSTox"	"COC1=CC=C(C=C1OC)C=C(C(=O)NC1C=CC=CC=1C(O)=O)C(=O)NC1C=CC=CC=1C(O)=O"	"?"	"InChI=1S/C26H22N2O8/c1-35-21-12-11-15(14-22(21)36-2)13-18(23(29)27-19-9-5-3-7-16(19)25(31)32)24(30)28-20-10-6-4-8-17(20)26(33)34/h3-14H,1-2H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)"	"VNCCGUAZRCLZNP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1001-55-4"	"DTXSID00142939"	"(Acetyloxy)acetonitrile"	"EPA_DSSTox"	"CC(=O)OCC#N"	"?"	"InChI=1S/C4H5NO2/c1-4(6)7-3-2-5/h3H2,1H3"	"AJEHNBIPLQJTNU-UHFFFAOYSA-N"	TRUE	FALSE	32	1	2
"10017-11-5"	"DTXSID60872280"	"Allylamine hydrochloride (1:1)"	"EPA_DSSTox"	"C=CCN"	"Cl"	"InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2"	"VVJKKWFAADXIJK-UHFFFAOYSA-N"	FALSE	FALSE	150	2	3
"10018-78-7"	NA	NA	"Public_CrossChecked"	"OC(=O)CCC(=O)OC1CCCCC1"	"?"	"InChI=1S/C10H16O4/c11-9(12)6-7-10(13)14-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12)"	"CQBVVSONJDUVEJ-UHFFFAOYSA-N"	FALSE	TRUE	6500	4	5
"100199-60-8"	"DTXSID20143004"	"Benzenemethanol, 4-(2-(1H-imidazol-1-yl)ethoxy)-"	"EPA_DSSTox"	"OCC1=CC=C(C=C1)OCCN1C=NC=C1"	"?"	"InChI=1S/C12H14N2O2/c15-9-11-1-3-12(4-2-11)16-8-7-14-6-5-13-10-14/h1-6,10,15H,7-9H2"	"GDNYXDJGFLTMJN-UHFFFAOYSA-N"	FALSE	TRUE	4860	3	5
"100217-51-4"	"DTXSID20143024"	"1-Phthalazinamine, N-(1-ethylpropyl)-4-phenyl-"	"EPA_DSSTox"	"CCC(CC)NC1=NN=C(C2C=CC=CC=21)C1C=CC=CC=1"	"?"	"InChI=1S/C19H21N3/c1-3-15(4-2)20-19-17-13-9-8-12-16(17)18(21-22-19)14-10-6-5-7-11-14/h5-13,15H,3-4H2,1-2H3,(H,20,22)"	"ACUXBMRWTYAPSK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"10022-60-3"	"DTXSID8073134"	"Di(2-ethylbutyl) adipate"	"EPA_DSSTox"	"CCC(COC(=O)CCCCC(=O)OCC(CC)CC)CC"	"?"	"InChI=1S/C18H34O4/c1-5-15(6-2)13-21-17(19)11-9-10-12-18(20)22-14-16(7-3)8-4/h15-16H,5-14H2,1-4H3"	"BSJVZANRYHAYEA-UHFFFAOYSA-N"	FALSE	TRUE	5620	4	5
"100237-68-1"	"DTXSID00143047"	"1-Phthalazinamine, N-(2,2-dimethylpropyl)-4-phenyl-"	"EPA_DSSTox"	"CC(C)(C)CNC1=NN=C(C2C=CC=CC=21)C1C=CC=CC=1"	"?"	"InChI=1S/C19H21N3/c1-19(2,3)13-20-18-16-12-8-7-11-15(16)17(21-22-18)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,20,22)"	"MLAKAXGSWVFAMA-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"10024-70-1"	NA	NA	"Public_CrossChecked"	"COC(C)CC(O)=O"	"?"	"InChI=1S/C5H10O3/c1-4(8-2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)"	"MXJDPWXQIVDAPH-UHFFFAOYSA-N"	FALSE	TRUE	3030	3	5
"10024-78-9"	NA	NA	"Public_CrossChecked"	"CC(N)CCC(CCCC)CC"	"?"	"InChI=1S/C11H25N/c1-4-6-7-11(5-2)9-8-10(3)12/h10-11H,4-9,12H2,1-3H3"	"TYUUCUBAWUQCSY-UHFFFAOYSA-N"	FALSE	FALSE	730	3	4
"10029-04-6"	"DTXSID00143108"	"Acrylic acid, 2-(hydroxymethyl)-, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)C(=C)CO"	"?"	"InChI=1S/C6H10O3/c1-3-9-6(8)5(2)4-7/h7H,2-4H2,1H3"	"SYGAXBISYRORDR-UHFFFAOYSA-N"	FALSE	FALSE	620	3	4
"100299-08-9"	"DTXSID7046623"	"Pemirolast potassium"	"EPA_DSSTox"	"CC1=CC=CN2C(=O)C(=CN=C21)C1NN=NN=1"	"[K+]"	"InChI=1S/C10H8N6O/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8/h2-5H,1H3,(H,12,13,14,15)"	"HIANJWSAHKJQTH-UHFFFAOYSA-N"	FALSE	FALSE	687	3	4
"1003-14-1"	"DTXSID40883637"	"Oxirane, 2-propyl-"	"EPA_DSSTox"	"CCCC1CO1"	"?"	"InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3"	"SYURNNNQIFDVCA-UHFFFAOYSA-N"	FALSE	FALSE	1327	3	4
"1003-40-3"	"DTXSID70143115"	"Pyridine, 4-amino-, hydrochloride"	"EPA_DSSTox"	"NC1C=CN=CC=1"	"Cl"	"InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)"	"NUKYPUAOHBNCPY-UHFFFAOYSA-N"	TRUE	FALSE	32	1	2
"1003-52-7"	"DTXSID90143117"	"4-Methyloxazole-5-carbonitrile"	"EPA_DSSTox"	"CC1N=COC=1C#N"	"?"	"InChI=1S/C5H4N2O/c1-4-5(2-6)8-3-7-4/h3H,1H3"	"JZSLPQXOLZCAME-UHFFFAOYSA-N"	FALSE	FALSE	735	3	4
"10031-58-0"	NA	NA	"Public_CrossChecked"	"CC(C)(C)CC(C)(C)CCC(C)[N+]1C=C(CC)C=CC=1C"	"[Cl-]"	"InChI=1S/C20H36N/c1-9-18-11-10-16(2)21(14-18)17(3)12-13-20(7,8)15-19(4,5)6/h10-11,14,17H,9,12-13,15H2,1-8H3/q+1"	"BODONJWIOLVTEV-UHFFFAOYSA-N"	FALSE	FALSE	540	3	4
"10031-96-6"	"DTXSID50143133"	"Eugenyl formate"	"EPA_DSSTox"	"COC1=CC(CC=C)=CC=C1OC=O"	"?"	"InChI=1S/C11H12O3/c1-3-4-9-5-6-10(14-8-12)11(7-9)13-2/h3,5-8H,1,4H2,2H3"	"JUTKIGGQRLHTJN-UHFFFAOYSA-N"	FALSE	TRUE	3400	3	5
"10032-15-2"	"DTXSID4047599"	"Hexyl 2-methylbutanoate"	"EPA_DSSTox"	"CCCCCCOC(=O)C(C)CC"	"?"	"InChI=1S/C11H22O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h10H,4-9H2,1-3H3"	"YUECNVSODFDKOQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"100365-72-8"	"DTXSID10143235"	"1H-Pyrazole-1-carboxamide, 3(or 5)-methyl-"	"EPA_DSSTox"	"CC1C=CN(N=1)C(N)=O"	"?"	"InChI=1S/C5H7N3O/c1-4-2-3-8(7-4)5(6)9/h2-3H,1H3,(H2,6,9)"	"PNZZQMXKKNDHNS-UHFFFAOYSA-N"	FALSE	FALSE	830	3	4
"1003859-14-0"	NA	NA	"Public_CrossChecked"	"FC(F)CNCC1C=NC(Cl)=CC=1"	"?"	"InChI=1S/C8H9ClF2N2/c9-7-2-1-6(4-13-7)3-12-5-8(10)11/h1-2,4,8,12H,3,5H2"	"QDQGMLOVCICKPV-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"10040-45-6"	"DTXSID7048663"	"Picosulfate sodium"	"EPA_DSSTox"	"OS(=O)(=O)OC1C=CC(=CC=1)C(C1C=CC=CN=1)C1C=CC(=CC=1)OS(O)(=O)=O"	"[Na+].[Na+]"	"InChI=1S/C18H15NO8S2/c20-28(21,22)26-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(11-7-14)27-29(23,24)25/h1-12,18H,(H,20,21,22)(H,23,24,25)"	"UJIDKYTZIQTXPM-UHFFFAOYSA-N"	FALSE	TRUE	11300	4	5
"10042-77-0"	"DTXSID80143262"	"Sulfamic acid, 2-aminoethyl ester"	"EPA_DSSTox"	"NCCOS(N)(=O)=O"	"?"	"InChI=1S/C2H8N2O3S/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)"	"BMIPZKURGVVSKZ-UHFFFAOYSA-N"	FALSE	TRUE	7460	4	5
"10048-13-2"	"DTXSID2021280"	"Sterigmatocystin"	"EPA_DSSTox"	"COC1=CC2OC3OC=CC3C=2C2OC3C=CC=C(O)C=3C(=O)C1=2"	"?"	"InChI=1S/C18H12O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-8,18-19H,1H3"	"UTSVPXMQSFGQTM-UHFFFAOYSA-N"	FALSE	FALSE	120	2	3
"100482-70-0"	"DTXSID10143331"	"Butylamine, N,N-bis(2-chloroethyl)-4-chloro-, N-oxide, hydrochloride"	"EPA_DSSTox"	"[O-][N+](CCCl)(CCCl)CCCCCl"	"Cl"	"InChI=1S/C8H16Cl3NO/c9-3-1-2-6-12(13,7-4-10)8-5-11/h1-8H2"	"MOGUXOKDDMSSEU-UHFFFAOYSA-N"	TRUE	FALSE	30	1	2
"10049-60-2"	NA	NA	"Public_CrossChecked"	"CCC(C)N"	"[Cl-]"	"InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3"	"BHRZNVHARXXAHW-UHFFFAOYSA-N"	FALSE	TRUE	4600	3	5
"10049-83-9"	"DTXSID1046550"	"Pyrithioxin dihydrochloride"	"EPA_DSSTox"	"CC1=NC=C(CSSCC2C=NC(C)=C(O)C=2CO)C(CO)=C1O"	"Cl.Cl"	"InChI=1S/C16H20N2O4S2/c1-9-15(21)13(5-19)11(3-17-9)7-23-24-8-12-4-18-10(2)16(22)14(12)6-20/h3-4,19-22H,5-8H2,1-2H3"	"SIXLXDIJGIWWFU-UHFFFAOYSA-N"	FALSE	TRUE	6000	4	5
"1005-67-0"	"DTXSID5044499"	"4-Butylmorpholine"	"EPA_DSSTox"	"CCCCN1CCOCC1"	"?"	"InChI=1S/C8H17NO/c1-2-3-4-9-5-7-10-8-6-9/h2-8H2,1H3"	"LMRKVKPRHROQRR-UHFFFAOYSA-N"	FALSE	FALSE	338	2	4
"1005-93-2"	"DTXSID5058270"	"Etbicyphat"	"EPA_DSSTox"	"CCC12COP(=O)(OC1)OC2"	"?"	"InChI=1S/C6H11O4P/c1-2-6-3-8-11(7,9-4-6)10-5-6/h2-5H2,1H3"	"BYEFHDZWRALTEN-UHFFFAOYSA-N"	TRUE	FALSE	3.08	1	1
"100537-30-2"	"DTXSID30143373"	"Phthalazine, 1-phenoxy-"	"EPA_DSSTox"	"C1=NN=C(OC2C=CC=CC=2)C2C=CC=CC=21"	"?"	"InChI=1S/C14H10N2O/c1-2-7-12(8-3-1)17-14-13-9-5-4-6-11(13)10-15-16-14/h1-10H"	"CSHSXUZQMJVDJY-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"10058-20-5"	"DTXSID40143400"	"Succinic acid, bis(2-(hexyloxy)ethyl) ester"	"EPA_DSSTox"	"CCCCCCOCCOC(=O)CCC(=O)OCCOCCCCCC"	"?"	"InChI=1S/C20H38O6/c1-3-5-7-9-13-23-15-17-25-19(21)11-12-20(22)26-18-16-24-14-10-8-6-4-2/h3-18H2,1-2H3"	"DSGIOCRYGRVGOW-UHFFFAOYSA-N"	FALSE	TRUE	4280	3	5
"100596-38-1"	"DTXSID10143417"	"1,3-Benzenedicarboxylic acid, 5-(2-amino-4-(methoxycarbonyl)phenoxy)-, dimethyl ester"	"EPA_DSSTox"	"COC(=O)C1C=C(C=C(C=1)C(=O)OC)OC1C=CC(=CC=1N)C(=O)OC"	"?"	"InChI=1S/C18H17NO7/c1-23-16(20)10-4-5-15(14(19)9-10)26-13-7-11(17(21)24-2)6-12(8-13)18(22)25-3/h4-9H,19H2,1-3H3"	"XPNBOEYBQIADSG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"10061-01-5"	"DTXSID1032305"	"(Z)-Dichloropropene"	"EPA_DSSTox"	"ClC=CCCl"	"?"	"InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2"	"UOORRWUZONOOLO-UHFFFAOYSA-N"	FALSE	FALSE	81.5	2	3
"100678-32-8"	"DTXSID0047820"	"Cifenline succinate"	"EPA_DSSTox"	"C1C(C2NCCN=2)C1(C1C=CC=CC=1)C1C=CC=CC=1"	"C(=O)(O)CCC(=O)O"	"InChI=1S/C18H18N2/c1-3-7-14(8-4-1)18(15-9-5-2-6-10-15)13-16(18)17-19-11-12-20-17/h1-10,16H,11-13H2,(H,19,20)"	"IPOBOOXFSRWSHL-UHFFFAOYSA-N"	FALSE	FALSE	359	2	4
"100706-81-8"	"DTXSID90143475"	"Teomorfolin"	"EPA_DSSTox"	"CN1C(=O)C2=C(N=CN2CC(=O)N2CCOCC2)N(C)C1=O"	"?"	"InChI=1S/C13H17N5O4/c1-15-11-10(12(20)16(2)13(15)21)18(8-14-11)7-9(19)17-3-5-22-6-4-17/h8H,3-7H2,1-2H3"	"YFXPYPAVWWDRJC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"100751-82-4"	"DTXSID30143494"	"Restacorin"	"EPA_DSSTox"	"CC1C=CC=C(C)C=1N/N=C(/N)\N(C)C"	"Cl"	"InChI=1S/C11H18N4/c1-8-6-5-7-9(2)10(8)13-14-11(12)15(3)4/h5-7,13H,1-4H3,(H2,12,14)"	"IRRZFNMHMZYHIW-UHFFFAOYSA-N"	FALSE	FALSE	980	3	4
"10081-67-1"	"DTXSID0027721"	"4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline"	"EPA_DSSTox"	"CC(C)(C1C=CC(=CC=1)NC1C=CC(=CC=1)C(C)(C)C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C30H31N/c1-29(2,23-11-7-5-8-12-23)25-15-19-27(20-16-25)31-28-21-17-26(18-22-28)30(3,4)24-13-9-6-10-14-24/h5-22,31H,1-4H3"	"UJAWGGOCYUPCPS-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"10085-81-1"	"DTXSID60143543"	"Benzoctamine hydrochloride"	"EPA_DSSTox"	"CNCC12CCC(C3C=CC=CC1=3)C1C=CC=CC2=1"	"Cl"	"InChI=1S/C18H19N/c1-19-12-18-11-10-13(14-6-2-4-8-16(14)18)15-7-3-5-9-17(15)18/h2-9,13,19H,10-12H2,1H3"	"GNRXCIONJWKSEA-UHFFFAOYSA-N"	FALSE	FALSE	700	3	4
"10086-50-7"	NA	NA	"Public_CrossChecked"	"CC(C)CC(CO)OCCC(C)C"	"?"	"InChI=1S/C11H24O2/c1-9(2)5-6-13-11(8-12)7-10(3)4/h9-12H,5-8H2,1-4H3"	"GDFYQZHRZFIDNT-UHFFFAOYSA-N"	FALSE	TRUE	5410	4	5
"1009-93-4"	"DTXSID4037748"	"2,2,4,4,6,6-Hexamethyl-1,3,5,2,4,6-triazatrisilinane"	"EPA_DSSTox"	"C[Si]1(C)N[Si](C)(C)N[Si](C)(C)N1"	"?"	"InChI=1S/C6H21N3Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h7-9H,1-6H3"	"WGGNJZRNHUJNEM-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"100924-68-3"	NA	NA	"Public_CrossChecked"	"CN(C)C1C=CC=CC=1CS(=O)C1NC2C=CC=CC=2N=1"	"?"	"InChI=1S/C16H17N3OS/c1-19(2)15-10-6-3-7-12(15)11-21(20)16-17-13-8-4-5-9-14(13)18-16/h3-10H,11H2,1-2H3,(H,17,18)"	"JVIHSTYYPRUSFG-UHFFFAOYSA-N"	FALSE	FALSE	1300	3	4
"10097-02-6"	"DTXSID8064939"	"Butanoic acid, 2,2-bis(hydroxymethyl)-"	"EPA_DSSTox"	"CCC(CO)(CO)C(O)=O"	"?"	"InChI=1S/C6H12O4/c1-2-6(3-7,4-8)5(9)10/h7-8H,2-4H2,1H3,(H,9,10)"	"JVYDLYGCSIHCMR-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"10097-26-4"	NA	NA	"Public_CrossChecked"	"CC(=C)C(=O)OCC(CCCC)CCCCCC"	"?"	"InChI=1S/C16H30O2/c1-5-7-9-10-12-15(11-8-6-2)13-18-16(17)14(3)4/h15H,3,5-13H2,1-2,4H3"	"VHGQXSVGGOZFAO-UHFFFAOYSA-N"	FALSE	TRUE	26000	4	5
"100981-43-9"	"DTXSID80143601"	"Ebrotidine"	"EPA_DSSTox"	"NC(N)=NC1=NC(CSCC/N=C/NS(=O)(=O)C2C=CC(Br)=CC=2)=CS1"	"?"	"InChI=1S/C14H17BrN6O2S3/c15-10-1-3-12(4-2-10)26(22,23)19-9-18-5-6-24-7-11-8-25-14(20-11)21-13(16)17/h1-4,8-9H,5-7H2,(H,18,19)(H4,16,17,20,21)"	"ZQHFZHPUZXNPMF-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"100986-85-4"	"DTXSID0041060"	"Levofloxacin"	"EPA_DSSTox"	"CN1CCN(CC1)C1=C(F)C=C2C3=C1OCC(C)N3C=C(C(O)=O)C2=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"	FALSE	FALSE	1478	3	4
"10099-72-6"	NA	NA	"Public_CrossChecked"	"OC(=O)C=CC(=O)OCCOCCO"	"?"	"InChI=1S/C8H12O6/c9-3-4-13-5-6-14-8(12)2-1-7(10)11/h1-2,9H,3-6H2,(H,10,11)"	"JHJLPMDWCPTBLD-UHFFFAOYSA-N"	FALSE	TRUE	2830	3	5
"101-02-0"	"DTXSID0026252"	"Triphenyl phosphite"	"EPA_DSSTox"	"C1=CC=CC=C1OP(OC1C=CC=CC=1)OC1C=CC=CC=1"	"?"	"InChI=1S/C18H15O3P/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H"	"HVLLSGMXQDNUAL-UHFFFAOYSA-N"	FALSE	FALSE	444	2	4
"101-05-3"	"DTXSID9020089"	"Anilazine"	"EPA_DSSTox"	"ClC1=CC=CC=C1NC1N=C(Cl)N=C(Cl)N=1"	"?"	"InChI=1S/C9H5Cl3N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)"	"IMHBYKMAHXWHRP-UHFFFAOYSA-N"	FALSE	TRUE	2700	3	5
"101-10-0"	"DTXSID9034232"	"Cloprop"	"EPA_DSSTox"	"CC(OC1C=CC=C(Cl)C=1)C(O)=O"	"?"	"InChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-4-2-3-7(10)5-8/h2-6H,1H3,(H,11,12)"	"YNTJKQDWYXUTLZ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"101-14-4"	"DTXSID5020865"	"4,4'-Methylenebis(2-chloroaniline)"	"EPA_DSSTox"	"NC1C=CC(CC2=CC(Cl)=C(N)C=C2)=CC=1Cl"	"?"	"InChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7H,5,16-17H2"	"IBOFVQJTBBUKMU-UHFFFAOYSA-N"	FALSE	FALSE	1140	3	4
"101-20-2"	"DTXSID4026214"	"Triclocarban"	"EPA_DSSTox"	"O=C(NC1C=C(Cl)C(Cl)=CC=1)NC1C=CC(Cl)=CC=1"	"?"	"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"	FALSE	TRUE	NA	NA	5
"101-25-7"	"DTXSID5020526"	"N,N-Dinitrosopentamethylenetetramine"	"EPA_DSSTox"	"O=NN1CN2CN(CN(C2)N=O)C1"	"?"	"InChI=1S/C5H10N6O2/c12-6-10-2-8-1-9(4-10)5-11(3-8)7-13/h1-5H2"	"MWRWFPQBGSZWNV-UHFFFAOYSA-N"	FALSE	FALSE	940	3	4
"101-26-8"	"DTXSID9023540"	"Pyridostigmine bromide"	"EPA_DSSTox"	"CN(C)C(=O)OC1C=[N+](C)C=CC=1"	"[Br-]"	"InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1"	"RVOLLAQWKVFTGE-UHFFFAOYSA-N"	TRUE	FALSE	37.5	1	2
"101-27-9"	"DTXSID3041617"	"Barban"	"EPA_DSSTox"	"O=C(NC1=CC(Cl)=CC=C1)OCC#CCCl"	"?"	"InChI=1S/C11H9Cl2NO2/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,(H,14,15)"	"MCOQHIWZJUDQIC-UHFFFAOYSA-N"	FALSE	FALSE	527	3	4
"101-37-1"	"DTXSID8037754"	"2,4,6-Tris(allyloxy)-1,3,5-triazine"	"EPA_DSSTox"	"C=CCOC1N=C(N=C(N=1)OCC=C)OCC=C"	"?"	"InChI=1S/C12H15N3O3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3/h4-6H,1-3,7-9H2"	"BJELTSYBAHKXRW-UHFFFAOYSA-N"	FALSE	FALSE	590	3	4
"101-40-6"	"DTXSID1023526"	"Propylhexedrine"	"EPA_DSSTox"	"CC(CC1CCCCC1)NC"	"?"	"InChI=1S/C10H21N/c1-9(11-2)8-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3"	"JCRIVQIOJSSCQD-UHFFFAOYSA-N"	FALSE	FALSE	83	2	3
"101-41-7"	"DTXSID1044352"	"Methyl phenylacetate"	"EPA_DSSTox"	"COC(=O)CC1C=CC=CC=1"	"?"	"InChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3"	"CRZQGDNQQAALAY-UHFFFAOYSA-N"	FALSE	TRUE	2550	3	5
"101-42-8"	"DTXSID7037551"	"Fenuron"	"EPA_DSSTox"	"CN(C)C(=O)NC1C=CC=CC=1"	"?"	"InChI=1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)"	"XXOYNJXVWVNOOJ-UHFFFAOYSA-N"	FALSE	TRUE	6400	4	5
"101-49-5"	"DTXSID1059230"	"1,3-Dioxolane, 2-(phenylmethyl)-"	"EPA_DSSTox"	"C(C1OCCO1)C1C=CC=CC=1"	"?"	"InChI=1S/C10H12O2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,10H,6-8H2"	"SSZACLYPEFCREM-UHFFFAOYSA-N"	FALSE	TRUE	2200	3	5
"101-50-8"	"DTXSID6059231"	"Benzenesulfonic acid, 2-amino-5-[(4-sulfophenyl)azo]-"	"EPA_DSSTox"	"NC1C=CC(=CC=1S(O)(=O)=O)N=NC1C=CC(=CC=1)S(O)(=O)=O"	"?"	"InChI=1S/C12H11N3O6S2/c13-11-6-3-9(7-12(11)23(19,20)21)15-14-8-1-4-10(5-2-8)22(16,17)18/h1-7H,13H2,(H,16,17,18)(H,19,20,21)"	"DCYBHNIOTZBCFS-UHFFFAOYSA-N"	FALSE	TRUE	14800	4	5
"101-54-2"	"DTXSID7025895"	"N-Phenyl-1,4-benzenediamine"	"EPA_DSSTox"	"NC1C=CC(=CC=1)NC1C=CC=CC=1"	"?"	"InChI=1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2"	"ATGUVEKSASEFFO-UHFFFAOYSA-N"	FALSE	FALSE	464	2	4
"101-70-2"	"DTXSID3025093"	"4,4'-Dimethoxydiphenylamine"	"EPA_DSSTox"	"COC1C=CC(=CC=1)NC1C=CC(=CC=1)OC"	"?"	"InChI=1S/C14H15NO2/c1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12/h3-10,15H,1-2H3"	"VCOONNWIINSFBA-UHFFFAOYSA-N"	FALSE	TRUE	2470	3	5
"101-72-4"	"DTXSID1025485"	"N-Isopropyl-N'-phenyl-p-phenylenediamine"	"EPA_DSSTox"	"CC(C)NC1C=CC(=CC=1)NC1C=CC=CC=1"	"?"	"InChI=1S/C15H18N2/c1-12(2)16-14-8-10-15(11-9-14)17-13-6-4-3-5-7-13/h3-12,16-17H,1-2H3"	"OUBMGJOQLXMSNT-UHFFFAOYSA-N"	FALSE	FALSE	720	3	4
"101-76-8"	"DTXSID6059239"	"Bis(4-chlorophenyl)methane"	"EPA_DSSTox"	"ClC1C=CC(CC2C=CC(Cl)=CC=2)=CC=1"	"?"	"InChI=1S/C13H10Cl2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9H2"	"LQGSWLJZAKVBJH-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"101-77-9"	"DTXSID6022422"	"4,4'-Methylenedianiline"	"EPA_DSSTox"	"NC1C=CC(CC2C=CC(N)=CC=2)=CC=1"	"?"	"InChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2"	"YBRVSVVVWCFQMG-UHFFFAOYSA-N"	FALSE	FALSE	517	3	4
"101-80-4"	"DTXSID0021094"	"4,4'-Oxydianiline"	"EPA_DSSTox"	"NC1C=CC(=CC=1)OC1C=CC(N)=CC=1"	"?"	"InChI=1S/C12H12N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2"	"HLBLWEWZXPIGSM-UHFFFAOYSA-N"	FALSE	FALSE	725	3	4
"101-81-5"	"DTXSID1041891"	"Diphenylmethane"	"EPA_DSSTox"	"C(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2"	"CZZYITDELCSZES-UHFFFAOYSA-N"	FALSE	TRUE	2250	3	5
"101-83-7"	"DTXSID6025018"	"Dicyclohexylamine"	"EPA_DSSTox"	"C1CCCCC1NC1CCCCC1"	"?"	"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"	FALSE	FALSE	373	2	4
"101-84-8"	"DTXSID9021847"	"Diphenyl oxide"	"EPA_DSSTox"	"C1=CC=CC=C1OC1C=CC=CC=1"	"?"	"InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H"	"USIUVYZYUHIAEV-UHFFFAOYSA-N"	FALSE	TRUE	2450	3	5
"101-85-9"	"DTXSID2049393"	"alpha-Amylcinnamyl alcohol"	"EPA_DSSTox"	"CCCCCC(CO)=CC1C=CC=CC=1"	"?"	"InChI=1S/C14H20O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11,15H,2-3,5,10,12H2,1H3"	"LIPHCKNQPJXUQF-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"101-86-0"	"DTXSID4026684"	"2-Benzylideneoctanal"	"EPA_DSSTox"	"CCCCCCC(C=O)=CC1C=CC=CC=1"	"?"	"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"	"GUUHFMWKWLOQMM-UHFFFAOYSA-N"	FALSE	TRUE	3100	3	5
"101-87-1"	"DTXSID2051508"	"N-Cyclohexyl-N'-phenyl-4-phenylenediamine"	"EPA_DSSTox"	"C1CCCCC1NC1C=CC(=CC=1)NC1C=CC=CC=1"	"?"	"InChI=1S/C18H22N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16,19-20H,2,5-6,9-10H2"	"ZRMMVODKVLXCBB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"101-90-6"	"DTXSID2020470"	"Diglycidyl resorcinol ether"	"EPA_DSSTox"	"C(OC1=CC(=CC=C1)OCC1CO1)C1CO1"	"?"	"InChI=1S/C12H14O4/c1-2-9(13-5-11-7-15-11)4-10(3-1)14-6-12-8-16-12/h1-4,11-12H,5-8H2"	"WPYCRFCQABTEKC-UHFFFAOYSA-N"	FALSE	TRUE	2570	3	5
"101-94-0"	"DTXSID7051509"	"4-Tolyl phenylacetate"	"EPA_DSSTox"	"CC1=CC=C(C=C1)OC(=O)CC1C=CC=CC=1"	"?"	"InChI=1S/C15H14O2/c1-12-7-9-14(10-8-12)17-15(16)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3"	"OJEQSSJFSNLMLB-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"101-97-3"	"DTXSID6044353"	"Ethyl phenylacetate"	"EPA_DSSTox"	"CCOC(=O)CC1C=CC=CC=1"	"?"	"InChI=1S/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3"	"DULCUDSUACXJJC-UHFFFAOYSA-N"	FALSE	TRUE	3300	3	5
"101007-06-1"	"DTXSID3041584"	"Acrinathrin"	"EPA_DSSTox"	"CC1(C)C(C1C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C(=O)OC(C#N)C1=CC(=CC=C1)OC1C=CC=CC=1"	"?"	"InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3"	"YLFSVIMMRPNPFK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"101030-71-1"	NA	NA	"Public_CrossChecked"	"CC(Cl)=CC(=O)NC1C=CC(O)=CC=1"	"?"	"InChI=1S/C10H10ClNO2/c1-7(11)6-10(14)12-8-2-4-9(13)5-3-8/h2-6,13H,1H3,(H,12,14)"	"WZFJKTHDWJDCPG-UHFFFAOYSA-N"	FALSE	FALSE	1580	3	4
"101030-72-2"	"DTXSID90143692"	"Crotonanilide, 4'-hydroxy-3-methyl-"	"EPA_DSSTox"	"CC(C)=CC(=O)NC1C=CC(O)=CC=1"	"?"	"InChI=1S/C11H13NO2/c1-8(2)7-11(14)12-9-3-5-10(13)6-4-9/h3-7,13H,1-2H3,(H,12,14)"	"HKLGTEAHOIDGHV-UHFFFAOYSA-N"	FALSE	FALSE	1950	3	4
"101043-37-2"	"DTXSID3031654"	"Microcystin LR"	"EPA_DSSTox"	"[H]N=C(N)NCCCCC1NC(=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)C(C)C(C=CC(C)=CC(C)C(CC2C=CC=CC=2)OC)NC1=O)C(O)=O)C(O)=O"	"?"	"InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(49(70)71)31(6)43(63)56-36(18-14-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(72-10)26-34-16-12-11-13-17-34)30(5)42(62)57-37(48(68)69)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h11-13,16-17,19-20,25,27,29-32,35-39,41H,8,14-15,18,21-24,26H2,1-7,9-10H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H,70,71)(H4,51,52,53)"	"HMGQXYULLUEIPT-UHFFFAOYSA-N"	TRUE	FALSE	NA	1	2
"101152-94-7"	"DTXSID4046785"	"Milnacipran hydrochloride"	"EPA_DSSTox"	"CCN(CC)C(=O)C1(CC1CN)C1C=CC=CC=1"	"Cl"	"InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3"	"GJJFMKBJSRMPLA-UHFFFAOYSA-N"	FALSE	FALSE	213	2	3
"101155-02-6"	"DTXSID50143759"	"9-(2-Fluorobenzyl)-6-(methylamino)-9H-purine"	"EPA_DSSTox"	"CNC1=NC=NC2=C1N=CN2CC1C=CC=CC=1F"	"?"	"InChI=1S/C13H12FN5/c1-15-12-11-13(17-7-16-12)19(8-18-11)6-9-4-2-3-5-10(9)14/h2-5,7-8H,6H2,1H3,(H,15,16,17)"	"MZABAGHILOTTOD-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"101205-02-1"	"DTXSID0057918"	"Cycloxydim"	"EPA_DSSTox"	"CCON=C(CCC)C1=C(O)CC(CC1=O)C1CSCCC1"	"?"	"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"	"GGWHBJGBERXSLL-UHFFFAOYSA-N"	FALSE	TRUE	3940	3	5
"101238-01-1"	"DTXSID70554727"	"2,2,6,6-Tetramethylpiperidin-4-yl dodecanoate"	"EPA_DSSTox"	"CCCCCCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1"	"?"	"InChI=1S/C21H41NO2/c1-6-7-8-9-10-11-12-13-14-15-19(23)24-18-16-20(2,3)22-21(4,5)17-18/h18,22H,6-17H2,1-5H3"	"XVKKTGPETSQMSD-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1013-99-6"	"DTXSID10143831"	"4H-Pyran-4-one, 2-methyl-6-phenyl-"	"EPA_DSSTox"	"CC1=CC(=O)C=C(O1)C1C=CC=CC=1"	"?"	"InChI=1S/C12H10O2/c1-9-7-11(13)8-12(14-9)10-5-3-2-4-6-10/h2-8H,1H3"	"PEYODCCEJQCEBL-UHFFFAOYSA-N"	FALSE	FALSE	625	3	4
"10137-69-6"	"DTXSID60884449"	"Cyclohexene, 4-(trichlorosilyl)-"	"EPA_DSSTox"	"Cl[Si](Cl)(Cl)C1CC=CCC1"	"?"	"InChI=1S/C6H9Cl3Si/c7-10(8,9)6-4-2-1-3-5-6/h1-2,6H,3-5H2"	"TTYRJPILQGWBOQ-UHFFFAOYSA-N"	FALSE	TRUE	2830	3	5
"10137-80-1"	NA	NA	"Public_CrossChecked"	"CCCCC(CNC1C=CC=CC=1)CC"	"?"	"InChI=1S/C14H23N/c1-3-5-9-13(4-2)12-15-14-10-7-6-8-11-14/h6-8,10-11,13,15H,3-5,9,12H2,1-2H3"	"GXFHZISVUPJOCI-UHFFFAOYSA-N"	FALSE	TRUE	2410	3	5
"10137-87-8"	NA	NA	"Public_CrossChecked"	"CCNC(C)C1C=CC=CC=1"	"?"	"InChI=1S/C10H15N/c1-3-11-9(2)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3"	"GJKPTDGTWOVONJ-UHFFFAOYSA-N"	FALSE	FALSE	360	2	4
"10137-90-3"	"DTXSID70884450"	"3-Nonen-2-one, 5-ethyl-"	"EPA_DSSTox"	"CCCCC(CC)C=CC(C)=O"	"?"	"InChI=1S/C11H20O/c1-4-6-7-11(5-2)9-8-10(3)12/h8-9,11H,4-7H2,1-3H3"	"SWBGUNASIKSCCO-UHFFFAOYSA-N"	FALSE	TRUE	8120	4	5
"10138-47-3"	NA	NA	"Public_CrossChecked"	"CCCCC(CC)OCCO"	"?"	"InChI=1S/C9H20O2/c1-3-5-6-9(4-2)11-8-7-10/h9-10H,3-8H2,1-2H3"	"BITOXCKNAKLGLN-UHFFFAOYSA-N"	FALSE	TRUE	2280	3	5
"10138-74-6"	NA	NA	"Public_CrossChecked"	"CC(CN)NCCO"	"?"	"InChI=1S/C5H14N2O/c1-5(4-6)7-2-3-8/h5,7-8H,2-4,6H2,1H3"	"QLSQYTKEUVPIJA-UHFFFAOYSA-N"	FALSE	TRUE	4920	3	5
"10138-79-1"	"DTXSID90884452"	"Silane, tris(2-chloroethoxy)-"	"EPA_DSSTox"	"ClCCO[SiH](OCCCl)OCCCl"	"?"	"InChI=1S/C6H13Cl3O3Si/c7-1-4-10-13(11-5-2-8)12-6-3-9/h13H,1-6H2"	"GSDMVIWNWCWYFB-UHFFFAOYSA-N"	FALSE	FALSE	190	2	3
"10138-87-1"	NA	NA	"Public_CrossChecked"	"CCCCC(CC)OCCOCCO"	"?"	"InChI=1S/C11H24O3/c1-3-5-6-11(4-2)14-10-9-13-8-7-12/h11-12H,3-10H2,1-2H3"	"KBAWNJHIFOTMPH-UHFFFAOYSA-N"	FALSE	TRUE	2940	3	5
"1014-69-3"	"DTXSID6041842"	"Desmetryn"	"EPA_DSSTox"	"CNC1=NC(=NC(NC(C)C)=N1)SC"	"?"	"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"	FALSE	FALSE	1390	3	4
"1014-70-6"	"DTXSID8037596"	"Simetryn"	"EPA_DSSTox"	"CSC1N=C(NCC)N=C(NCC)N=1"	"?"	"InChI=1S/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)"	"MGLWZSOBALDPEK-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"1014-98-8"	"DTXSID60143907"	"Isocyanic acid, p-xylylene ester"	"EPA_DSSTox"	"O=C=NCC1C=CC(CN=C=O)=CC=1"	"?"	"InChI=1S/C10H8N2O2/c13-7-11-5-9-1-2-10(4-3-9)6-12-8-14/h1-4H,5-6H2"	"OHLKMGYGBHFODF-UHFFFAOYSA-N"	FALSE	TRUE	4500	3	5
"10140-75-7"	NA	NA	"Public_CrossChecked"	"CC(=O)OC(OC(C)=O)C(Cl)CCl"	"?"	"InChI=1S/C7H10Cl2O4/c1-4(10)12-7(6(9)3-8)13-5(2)11/h6-7H,3H2,1-2H3"	"MYDZFJITMAYGKQ-UHFFFAOYSA-N"	FALSE	FALSE	320	2	4
"10140-89-3"	NA	NA	"Public_CrossChecked"	"O=CC(Cl)CCl"	"?"	"InChI=1S/C3H4Cl2O/c4-1-3(5)2-6/h2-3H,1H2"	"IZRKUJREXIKAQM-UHFFFAOYSA-N"	FALSE	FALSE	160	2	3
"10140-90-6"	NA	NA	"Public_CrossChecked"	"CC1CC(C)OP(=O)(Cl)O1"	"?"	"InChI=1S/C5H10ClO3P/c1-4-3-5(2)9-10(6,7)8-4/h4-5H,3H2,1-2H3"	"SCSGSYNJAFAKKV-UHFFFAOYSA-N"	FALSE	FALSE	380	2	4
"10140-93-9"	NA	NA	"Public_CrossChecked"	"CCC1COP(=O)(Cl)OC1CCC"	"?"	"InChI=1S/C8H16ClO3P/c1-3-5-8-7(4-2)6-11-13(9,10)12-8/h7-8H,3-6H2,1-2H3"	"UDNWWDKGKIGFKO-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"10140-99-5"	NA	NA	"Public_CrossChecked"	"CCOCC(Cl)C(OCC)OCC"	"?"	"InChI=1S/C9H19ClO3/c1-4-11-7-8(10)9(12-5-2)13-6-3/h8-9H,4-7H2,1-3H3"	"WEGSOVKZMZPKLO-UHFFFAOYSA-N"	FALSE	FALSE	1320	3	4
"10141-07-8"	NA	NA	"Public_CrossChecked"	"CC=CC(OC(=O)C=CC)OC(=O)C=CC"	"?"	"InChI=1S/C12H16O4/c1-4-7-10(13)15-12(9-6-3)16-11(14)8-5-2/h4-9,12H,1-3H3"	"BADIPRCUJPQNIE-UHFFFAOYSA-N"	FALSE	TRUE	2590	3	5
"10141-15-8"	NA	NA	"Public_CrossChecked"	"CC(CC(C)(C)O)OCCC#N"	"?"	"InChI=1S/C9H17NO2/c1-8(7-9(2,3)11)12-6-4-5-10/h8,11H,4,6-7H2,1-3H3"	"MYZYATBOEKPPPB-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"10141-19-2"	NA	NA	"Public_CrossChecked"	"CC(C)CC(C)CCCC(C)COC=C"	"?"	"InChI=1S/C14H28O/c1-6-15-11-14(5)9-7-8-13(4)10-12(2)3/h6,12-14H,1,7-11H2,2-5H3"	"SSOZLSNWPFIHKP-UHFFFAOYSA-N"	FALSE	FALSE	1220	3	4
"10143-60-9"	"DTXSID5042035"	"Bis(2-ethylhexyl) ether"	"EPA_DSSTox"	"CCCCC(COCC(CCCC)CC)CC"	"?"	"InChI=1S/C16H34O/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3"	"YHCCCMIWRBJYHG-UHFFFAOYSA-N"	FALSE	TRUE	34000	4	5
"10143-67-6"	"DTXSID50143931"	"Acetaldehyde, bis(2-methoxyethyl) acetal"	"EPA_DSSTox"	"CC(OCCOC)OCCOC"	"?"	"InChI=1S/C8H18O4/c1-8(11-6-4-9-2)12-7-5-10-3/h8H,4-7H2,1-3H3"	"QAFHKXJNUMPEMF-UHFFFAOYSA-N"	FALSE	TRUE	3260	3	5
"101463-69-8"	"DTXSID1041978"	"Flufenoxuron"	"EPA_DSSTox"	"O=C(NC1C=CC(=CC=1F)OC1C=CC(=CC=1Cl)C(F)(F)F)NC(=O)C1C(F)=CC=CC=1F"	"?"	"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"	FALSE	TRUE	NA	NA	5
"101477-54-7"	"DTXSID1046427"	"Lomerizine dihydrochloride"	"EPA_DSSTox"	"COC1=C(OC)C(CN2CCN(CC2)C(C2C=CC(F)=CC=2)C2C=CC(F)=CC=2)=CC=C1OC"	"Cl.Cl"	"InChI=1S/C27H30F2N2O3/c1-32-24-13-8-21(26(33-2)27(24)34-3)18-30-14-16-31(17-15-30)25(19-4-9-22(28)10-5-19)20-6-11-23(29)12-7-20/h4-13,25H,14-18H2,1-3H3"	"JQSAYKKFZOSZGJ-UHFFFAOYSA-N"	FALSE	FALSE	307	2	4
"101526-62-9"	"DTXSID6049016"	"Sematilide monohydrochloride"	"EPA_DSSTox"	"CS(=O)(=O)NC1C=CC(=CC=1)C(=O)NCCN(CC)CC"	"Cl"	"InChI=1S/C14H23N3O3S/c1-4-17(5-2)11-10-15-14(18)12-6-8-13(9-7-12)16-21(3,19)20/h6-9,16H,4-5,10-11H2,1-3H3,(H,15,18)"	"KHYPYQZQJSBPIX-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"101530-10-3"	"DTXSID6046428"	"Lanoconazole"	"EPA_DSSTox"	"N#CC(=C1SCC(S1)C1C=CC=CC=1Cl)N1C=CN=C1"	"?"	"InChI=1S/C14H10ClN3S2/c15-11-4-2-1-3-10(11)13-8-19-14(20-13)12(7-16)18-6-5-17-9-18/h1-6,9,13H,8H2"	"ZRTQSJFIDWNVJW-UHFFFAOYSA-N"	FALSE	FALSE	652	3	4
"1016-46-2"	"DTXSID70144041"	"Carbamic acid, dimethyl-, benzo(b)thien-4-yl ester"	"EPA_DSSTox"	"CN(C)C(=O)OC1=CC=CC2SC=CC=21"	"?"	"InChI=1S/C11H11NO2S/c1-12(2)11(13)14-9-4-3-5-10-8(9)6-7-15-10/h3-7H,1-2H3"	"NUELYOQGOJBUHL-UHFFFAOYSA-N"	TRUE	FALSE	34	1	2
"101670-73-9"	NA	NA	"Public_CrossChecked"	"ClCC[N+]1(CCCl)CCCO1"	"[I-]"	"InChI=1S/C7H14Cl2NO/c8-2-5-10(6-3-9)4-1-7-11-10/h1-7H2/q+1"	"PKFHCHMEKXBANJ-UHFFFAOYSA-N"	TRUE	FALSE	7.5	1	2
"101670-74-0"	NA	NA	"Public_CrossChecked"	"C[N+]1(CCCl)CCCO1"	"[I-]"	"InChI=1S/C6H13ClNO/c1-8(5-3-7)4-2-6-9-8/h2-6H2,1H3/q+1"	"RCIREBHCXAIKEN-UHFFFAOYSA-N"	TRUE	FALSE	3	1	1
"101708-01-4"	"DTXSID00144135"	"1H-Pyrazole-3-carboxamide, 5-methyl-N-(2-(trifluoromethyl)phenyl)-"	"EPA_DSSTox"	"CC1=CC(=NN1)C(=O)NC1C=CC=CC=1C(F)(F)F"	"?"	"InChI=1S/C12H10F3N3O/c1-7-6-10(18-17-7)11(19)16-9-5-3-2-4-8(9)12(13,14)15/h2-6H,1H3,(H,16,19)(H,17,18)"	"PBFXDKVIRLUZCT-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"101708-02-5"	"DTXSID60144136"	"1H-Pyrazolecarboxamide, 5-methyl-N-(3-(trifluoromethyl)phenyl)-"	"EPA_DSSTox"	"CC1=CC(=NN1)C(=O)NC1C=C(C=CC=1)C(F)(F)F"	"?"	"InChI=1S/C12H10F3N3O/c1-7-5-10(18-17-7)11(19)16-9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H,16,19)(H,17,18)"	"SWDFBDLKPDPYMY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"101708-05-8"	"DTXSID80144138"	"5-Pyrazolecarboxamide, N-(2,3-dimethylphenyl)-5-methyl-"	"EPA_DSSTox"	"CC1=CC(=NN1)C(=O)NC1C=CC=C(C)C=1C"	"?"	"InChI=1S/C13H15N3O/c1-8-5-4-6-11(10(8)3)14-13(17)12-7-9(2)15-16-12/h4-7H,1-3H3,(H,14,17)(H,15,16)"	"USSCDEBZNIYAFY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"10171-78-5"	NA	NA	"Public_CrossChecked"	"CC(N)CNCCCO"	"?"	"InChI=1S/C6H16N2O/c1-6(7)5-8-3-2-4-9/h6,8-9H,2-5,7H2,1H3"	"PKPINSQODSMJFH-UHFFFAOYSA-N"	FALSE	TRUE	5660	4	5
"10175-31-2"	NA	NA	"Public_CrossChecked"	"CN(C)CC1C=CC=CC=1Cl"	"?"	"InChI=1S/C9H12ClN/c1-11(2)7-8-5-3-4-6-9(8)10/h3-6H,7H2,1-2H3"	"MZKKJAOOPDDXQQ-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"10176-39-3"	"DTXSID80144173"	"Gitoformate"	"EPA_DSSTox"	"CC(=O)OC1CC(OC(C)C1OC=O)OC1C(CC(OC1C)OC1C(CC(OC2CC3CCC4C(CCC5(C)C(C(CC54O)OC=O)C4COC(=O)C=4)C3(C)CC2)OC1C)OC=O)OC=O"	"?"	"InChI=1S/C47H66O19/c1-24-42(59-23-51)35(63-27(4)52)17-40(60-24)66-44-26(3)62-39(16-34(44)57-21-49)65-43-25(2)61-38(15-33(43)56-20-48)64-30-9-11-45(5)29(14-30)7-8-32-31(45)10-12-46(6)41(28-13-37(53)55-19-28)36(58-22-50)18-47(32,46)54/h13,20-26,29-36,38-44,54H,7-12,14-19H2,1-6H3"	"ATFNYUIQOXEFIY-UHFFFAOYSA-N"	TRUE	FALSE	39.01	1	2
"1018-71-9"	"DTXSID9046867"	"Pyrrolnitrin"	"EPA_DSSTox"	"[O-][N+](=O)C1=C(C=CC=C1Cl)C1=CNC=C1Cl"	"?"	"InChI=1S/C10H6Cl2N2O2/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12/h1-5,13H"	"QJBZDBLBQWFTPZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"101827-46-7"	"DTXSID2048589"	"Butenafine hydrochloride"	"EPA_DSSTox"	"CN(CC1=CC=CC2C=CC=CC1=2)CC1C=CC(=CC=1)C(C)(C)C"	"Cl"	"InChI=1S/C23H27N/c1-23(2,3)21-14-12-18(13-15-21)16-24(4)17-20-10-7-9-19-8-5-6-11-22(19)20/h5-15H,16-17H2,1-4H3"	"ABJKWBDEJIDSJZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"101893-08-7"	"DTXSID40144316"	"Morpholine, 4-(2-(5-bromo-2-pentyloxybenzyloxy)ethyl)-"	"EPA_DSSTox"	"CCCCCOC1C=CC(Br)=CC=1COCCN1CCOCC1"	"?"	"InChI=1S/C18H28BrNO3/c1-2-3-4-10-23-18-6-5-17(19)14-16(18)15-22-13-9-20-7-11-21-12-8-20/h5-6,14H,2-4,7-13,15H2,1H3"	"DVJPPCNBAWWWKJ-UHFFFAOYSA-N"	FALSE	FALSE	1200	3	4
"10193-95-0"	"DTXSID8064987"	"Acetic acid, mercapto-, 1,4-butanediyl ester"	"EPA_DSSTox"	"O=C(CS)OCCCCOC(=O)CS"	"?"	"InChI=1S/C8H14O4S2/c9-7(5-13)11-3-1-2-4-12-8(10)6-14/h13-14H,1-6H2"	"IPNDIMIIGZSERC-UHFFFAOYSA-N"	FALSE	FALSE	405	2	4
"101952-85-6"	NA	NA	"Public_CrossChecked"	"CCN(CCC1=NC(=NO1)C1C=CC=CC1=O)CC"	"C(C(=O)O)C(CC(=O)O)(C(=O)O)O"	"InChI=1S/C14H19N3O2/c1-3-17(4-2)10-9-13-15-14(16-19-13)11-7-5-6-8-12(11)18/h5-8,11H,3-4,9-10H2,1-2H3"	"MGKRTWXKZHCEKP-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"101952-86-7"	"DTXSID80144431"	"Hexestrol diphosphate sodium"	"EPA_DSSTox"	"CCC(C(CC)C1C=CC(=CC=1)OP(O)(O)=O)C1C=CC(=CC=1)OP(O)(O)=O"	"[Na+]"	"InChI=1S/C18H24O8P2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12,17-18H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24)"	"JBDIWCWZUDNWTL-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"102-01-2"	"DTXSID0024397"	"Acetoacetanilide"	"EPA_DSSTox"	"CC(=O)CC(=O)NC1C=CC=CC=1"	"?"	"InChI=1S/C10H11NO2/c1-8(12)7-10(13)11-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13)"	"DYRDKSSFIWVSNM-UHFFFAOYSA-N"	FALSE	TRUE	2450	3	5
"102-06-7"	"DTXSID3025178"	"1,3-Diphenylguanidine"	"EPA_DSSTox"	"C1=CC=CC=C1NC(=N)NC1C=CC=CC=1"	"?"	"InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)"	"OWRCNXZUPFZXOS-UHFFFAOYSA-N"	FALSE	FALSE	107	2	3
"102-09-0"	"DTXSID3020540"	"Diphenylcarbonate"	"EPA_DSSTox"	"O=C(OC1C=CC=CC=1)OC1C=CC=CC=1"	"?"	"InChI=1S/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H"	"ROORDVPLFPIABK-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"102-13-6"	"DTXSID6051512"	"Isobutyl phenylacetate"	"EPA_DSSTox"	"CC(C)COC(=O)CC1C=CC=CC=1"	"?"	"InChI=1S/C12H16O2/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3"	"RJASFPFZACBKBE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"102-17-0"	"DTXSID5059246"	"Benzeneacetic acid, (4-methoxyphenyl)methyl ester"	"EPA_DSSTox"	"COC1C=CC(COC(=O)CC2C=CC=CC=2)=CC=1"	"?"	"InChI=1S/C16H16O3/c1-18-15-9-7-14(8-10-15)12-19-16(17)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3"	"VCYWCSZLXMMLLE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"102-20-5"	"DTXSID0044494"	"2-Phenylethyl phenylacetate"	"EPA_DSSTox"	"O=C(CC1C=CC=CC=1)OCCC1C=CC=CC=1"	"?"	"InChI=1S/C16H16O2/c17-16(13-15-9-5-2-6-10-15)18-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2"	"ZOZIRNMDEZKZHM-UHFFFAOYSA-N"	FALSE	TRUE	15000	4	5
"102-22-7"	"DTXSID1051513"	"(1E)-2,6-Dimethylhepta-1,5-dien-1-yl phenylacetate"	"EPA_DSSTox"	"CC(C)=CCCC(C)=CCOC(=O)CC1C=CC=CC=1"	"?"	"InChI=1S/C18H24O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-12H,7,9,13-14H2,1-3H3"	"UXAIJXIHZDZMSK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"102-24-9"	"DTXSID6051514"	"Trimethoxycyclotriboroxane"	"EPA_DSSTox"	"COB1OB(OB(O1)OC)OC"	"?"	"InChI=1S/C3H9B3O6/c1-7-4-10-5(8-2)12-6(9-3)11-4/h1-3H3"	"ZFMOJHVRFMOIGF-UHFFFAOYSA-N"	FALSE	TRUE	5160	4	5
"102-27-2"	"DTXSID4021848"	"N-Ethyl-3-methylaniline"	"EPA_DSSTox"	"CC1C=C(C=CC=1)NCC"	"?"	"InChI=1S/C9H13N/c1-3-10-9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3"	"GUYMMHOQXYZMJQ-UHFFFAOYSA-N"	FALSE	FALSE	580	3	4
"102-30-7"	"DTXSID9042091"	"Lauryldimethyldichlorobenzylammonium chloride"	"EPA_DSSTox"	"CCCCCCCCCCCC[N+](C)(C)CC1=CC(Cl)=C(Cl)C=C1"	"[Cl-]"	"InChI=1S/C21H36Cl2N/c1-4-5-6-7-8-9-10-11-12-13-16-24(2,3)18-19-14-15-20(22)21(23)17-19/h14-15,17H,4-13,16,18H2,1-3H3/q+1"	"RZTDURBNLDNTQU-UHFFFAOYSA-N"	FALSE	FALSE	730	3	4
"102-71-6"	"DTXSID9021392"	"Triethanolamine"	"EPA_DSSTox"	"OCCN(CCO)CCO"	"?"	"InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2"	"GSEJCLTVZPLZKY-UHFFFAOYSA-N"	FALSE	TRUE	5530	4	5
"102-81-8"	"DTXSID2024953"	"2-(Dibutylamino)ethanol"	"EPA_DSSTox"	"CCCCN(CCO)CCCC"	"?"	"InChI=1S/C10H23NO/c1-3-5-7-11(9-10-12)8-6-4-2/h12H,3-10H2,1-2H3"	"IWSZDQRGNFLMJS-UHFFFAOYSA-N"	FALSE	FALSE	1070	3	4
"102-83-0"	"DTXSID8059261"	"1,3-Propanediamine, N,N-dibutyl-"	"EPA_DSSTox"	"CCCCN(CCCN)CCCC"	"?"	"InChI=1S/C11H26N2/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-12H2,1-2H3"	"KYCGURZGBKFEQB-UHFFFAOYSA-N"	FALSE	FALSE	820	3	4
"102-84-1"	"DTXSID3059262"	"Phosphorous acid, tri-2-propenyl ester"	"EPA_DSSTox"	"C=CCOP(OCC=C)OCC=C"	"?"	"InChI=1S/C9H15O3P/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-6H,1-3,7-9H2"	"KJWHEZXBZQXVSA-UHFFFAOYSA-N"	FALSE	FALSE	178	2	3
"102-85-2"	"DTXSID7051474"	"Tributyl phosphite"	"EPA_DSSTox"	"CCCCOP(OCCCC)OCCCC"	"?"	"InChI=1S/C12H27O3P/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-12H2,1-3H3"	"XTTGYFREQJCEML-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"1020-35-5"	NA	NA	"Public_CrossChecked"	"CC1C=CC(=CC=1C(C)CC)OC(=O)NC"	"?"	"InChI=1S/C13H19NO2/c1-5-9(2)12-8-11(7-6-10(12)3)16-13(15)14-4/h6-9H,5H2,1-4H3,(H,14,15)"	"XKYLVMVPFHKXRJ-UHFFFAOYSA-N"	TRUE	FALSE	35	1	2
"102071-30-7"	NA	NA	"Public_CrossChecked"	"OC(C1CCCCN1)(C1C=CC=CC=1)C1C=CC(Cl)=CC=1"	"Cl"	"InChI=1S/C18H20ClNO/c19-16-11-9-15(10-12-16)18(21,14-6-2-1-3-7-14)17-8-4-5-13-20-17/h1-3,6-7,9-12,17,20-21H,4-5,8,13H2"	"XMOLPHXJRQYPQY-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"1021-19-8"	NA	NA	"Public_CrossChecked"	"OC1OCC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl"	"?"	"InChI=1S/C9H6Cl6O2/c10-4-5(11)8(13)3-2(1-17-6(3)16)7(4,12)9(8,14)15/h2-3,6,16H,1H2"	"OHANHNSPGZXJBU-UHFFFAOYSA-N"	FALSE	FALSE	1750	3	4
"10213-74-8"	"DTXSID20144677"	"Propionic acid, 3-(2-ethylbutoxy)-"	"EPA_DSSTox"	"CCC(COCCC(O)=O)CC"	"?"	"InChI=1S/C9H18O3/c1-3-8(4-2)7-12-6-5-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)"	"ZLPVZWUOBAHGNY-UHFFFAOYSA-N"	FALSE	TRUE	3730	3	5
"10213-75-9"	"DTXSID6025303"	"3-((2-Ethylhexyl)oxy)propionitrile"	"EPA_DSSTox"	"CCCCC(COCCC#N)CC"	"?"	"InChI=1S/C11H21NO/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11H,3-7,9-10H2,1-2H3"	"HXBFULVLSKAGSQ-UHFFFAOYSA-N"	FALSE	TRUE	4920	3	5
"102207-73-8"	"DTXSID20144793"	"Pyrimidine, 2-amino-4-(2-dibutylaminoethoxy)-"	"EPA_DSSTox"	"CCCCN(CCOC1C=CN=C(N)N=1)CCCC"	"?"	"InChI=1S/C14H26N4O/c1-3-5-9-18(10-6-4-2)11-12-19-13-7-8-16-14(15)17-13/h7-8H,3-6,9-12H2,1-2H3,(H2,15,16,17)"	"QOKOFSWPBFMPCP-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"102207-77-2"	"DTXSID00144796"	"Pyrimidine, 2-amino-4-(2-dimethylaminoethoxy)-"	"EPA_DSSTox"	"CN(C)CCOC1C=CN=C(N)N=1"	"?"	"InChI=1S/C8H14N4O/c1-12(2)5-6-13-7-3-4-10-8(9)11-7/h3-4H,5-6H2,1-2H3,(H2,9,10,11)"	"DJPLUEGVLBIDTL-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"102251-91-2"	"DTXSID60144833"	"SC 42867"	"EPA_DSSTox"	"CCS(=O)(=O)CCC(=O)NNC(=O)N1CC2C=CC=CC=2OC2C=CC(Cl)=CC1=2"	"?"	"InChI=1S/C19H20ClN3O5S/c1-2-29(26,27)10-9-18(24)21-22-19(25)23-12-13-5-3-4-6-16(13)28-17-8-7-14(20)11-15(17)23/h3-8,11H,2,9-10,12H2,1H3,(H,21,24)(H,22,25)"	"MKWZNWIFSJUXCI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"102268-15-5"	"DTXSID8029072"	"5-Ethyl-2,3-pyridinedicarboxylic acid"	"EPA_DSSTox"	"CCC1=CC(=C(N=C1)C(O)=O)C(O)=O"	"?"	"InChI=1S/C9H9NO4/c1-2-5-3-6(8(11)12)7(9(13)14)10-4-5/h3-4H,2H2,1H3,(H,11,12)(H,13,14)"	"MTAVBTGOXNGCJR-UHFFFAOYSA-N"	FALSE	TRUE	3353	3	5
"10232-91-4"	"DTXSID10144904"	"Propionitrile, 3-(2-ethylbutoxy)-"	"EPA_DSSTox"	"CCC(COCCC#N)CC"	"?"	"InChI=1S/C9H17NO/c1-3-9(4-2)8-11-7-5-6-10/h9H,3-5,7-8H2,1-2H3"	"HHTFLOIAOFXJDD-UHFFFAOYSA-N"	FALSE	TRUE	2460	3	5
"10232-92-5"	NA	NA	"Public_CrossChecked"	"CC(C)(CO)C(O)C#N"	"?"	"InChI=1S/C6H11NO2/c1-6(2,4-8)5(9)3-7/h5,8-9H,4H2,1-2H3"	"YRISILVEKHMLPL-UHFFFAOYSA-N"	FALSE	FALSE	310	2	4
"10232-93-6"	NA	NA	"Public_CrossChecked"	"COCCOC(=O)C=CC(=O)OCCOC"	"?"	"InChI=1S/C10H16O6/c1-13-5-7-15-9(11)3-4-10(12)16-8-6-14-2/h3-4H,5-8H2,1-2H3"	"INJVHPRSHKTTBD-UHFFFAOYSA-N"	FALSE	TRUE	3340	3	5
"102324-40-3"	NA	NA	"Public_CrossChecked"	"COC1C=C(C=C(OC)C=1OC)NC(=O)OCCCN1CCN(CC1)C1C=CC=CC=1"	"C(=C/C(=O)O)/C(=O)O"	"InChI=1S/C23H31N3O5/c1-28-20-16-18(17-21(29-2)22(20)30-3)24-23(27)31-15-7-10-25-11-13-26(14-12-25)19-8-5-4-6-9-19/h4-6,8-9,16-17H,7,10-15H2,1-3H3,(H,24,27)"	"DMACUBIFOZOBFQ-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"10235-09-3"	"DTXSID00144933"	"O,O,O-Tris(2-chloroethyl) phosphorothioate"	"EPA_DSSTox"	"S=P(OCCCl)(OCCCl)OCCCl"	"?"	"InChI=1S/C6H12Cl3O3PS/c7-1-4-10-13(14,11-5-2-8)12-6-3-9/h1-6H2"	"UDNXMNHGQDZEIC-UHFFFAOYSA-N"	FALSE	FALSE	820	3	4
"102366-79-0"	"DTXSID10144944"	"Adenine, 7,8-dihydro-N-benzyl-"	"EPA_DSSTox"	"C(NC1N=CN=C2NCNC2=1)C1C=CC=CC=1"	"?"	"InChI=1S/C12H13N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,8,14H,6-7H2,(H2,13,15,16,17)"	"VCFTZBXEGUKNCA-UHFFFAOYSA-N"	FALSE	TRUE	2100	3	5
"10238-21-8"	"DTXSID0037237"	"Glybenclamide"	"EPA_DSSTox"	"COC1C=CC(Cl)=CC=1C(=O)NCCC1C=CC(=CC=1)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"	FALSE	TRUE	NA	4	5
"102394-31-0"	"DTXSID0045674"	"AF-DX 116"	"EPA_DSSTox"	"CCN(CC1CCCCN1CC(=O)N1C2N=CC=CC=2NC(=O)C2C=CC=CC1=2)CC"	"?"	"InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)"	"UBRKDAVQCKZSPO-UHFFFAOYSA-N"	FALSE	FALSE	1533	3	4
"1024-57-3"	"DTXSID1024126"	"Heptachlor epoxide"	"EPA_DSSTox"	"ClC1(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C(Cl)=C2Cl"	"?"	"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"	TRUE	FALSE	15	1	2
"102410-20-8"	"DTXSID50145051"	"Glycine, N,N-dimethyl-, ((6-chloroimidazo(2,1-b)thiazol-5-yl)methylene)hydrazide"	"EPA_DSSTox"	"CN(C)CC(=O)NN=CC1=C(Cl)N=C2SC=CN12"	"?"	"InChI=1S/C10H12ClN5OS/c1-15(2)6-8(17)14-12-5-7-9(11)13-10-16(7)3-4-18-10/h3-5H,6H2,1-2H3,(H,14,17)"	"BPQPFSSGIFMVBP-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"102410-37-7"	"DTXSID70145053"	"Glycine, N,N-dimethyl-, ((2,3-dihydro-6-methylimidazo(2,1-b)thiazol-5-yl)methylene)hydrazide"	"EPA_DSSTox"	"CN(C)CC(=O)NN=CC1=C(C)N=C2SCCN21"	"?"	"InChI=1S/C11H17N5OS/c1-8-9(16-4-5-18-11(16)13-8)6-12-14-10(17)7-15(2)3/h6H,4-5,7H2,1-3H3,(H,14,17)"	"TWDLXBUGHULYLQ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"102410-39-9"	NA	NA	"Public_CrossChecked"	"CN(C)CC(=O)N=NCC1=C(N=C2SCCN12)C1=CC=C(C)C=C1"	"?"	"InChI=1S/C17H21N5OS/c1-12-4-6-13(7-5-12)16-14(22-8-9-24-17(22)19-16)10-18-20-15(23)11-21(2)3/h4-7H,8-11H2,1-3H3"	"DFTWJVCRGOTWPK-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"102410-40-2"	"DTXSID30145054"	"Glycine, N,N-dimethyl-, ((2,3-dihydro-6-chloroimidazo(2,1-b)thiazol-5-yl)methylene)hydrazide"	"EPA_DSSTox"	"CN(C)CC(=O)NN=CC1=C(Cl)N=C2SCCN21"	"?"	"InChI=1S/C10H14ClN5OS/c1-15(2)6-8(17)14-12-5-7-9(11)13-10-16(7)3-4-18-10/h5H,3-4,6H2,1-2H3,(H,14,17)"	"HMCAFWIYOHOSSX-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"1025-15-6"	"DTXSID0026175"	"Triallyl isocyanurate"	"EPA_DSSTox"	"C=CCN1C(=O)N(CC=C)C(=O)N(CC=C)C1=O"	"?"	"InChI=1S/C12H15N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h4-6H,1-3,7-9H2"	"KOMNUTZXSVSERR-UHFFFAOYSA-N"	FALSE	FALSE	707	3	4
"102518-79-6"	"DTXSID8046038"	"Huperzine A"	"EPA_DSSTox"	"CC1CC2(N)C(=CC)C(CC3NC(=O)C=CC2=3)C=1"	"?"	"InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)"	"ZRJBHWIHUMBLCN-UHFFFAOYSA-N"	TRUE	FALSE	15	1	2
"10254-57-6"	"DTXSID5029718"	"Methylene dibutyldithiocarbamate"	"EPA_DSSTox"	"CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC"	"?"	"InChI=1S/C19H38N2S4/c1-5-9-13-20(14-10-6-2)18(22)24-17-25-19(23)21(15-11-7-3)16-12-8-4/h5-17H2,1-4H3"	"LMODBLQHQHXPEI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"102579-43-1"	NA	NA	"Public_CrossChecked"	"CCCNC(=O)C(CC1C=CC(=CC=1)OCCN(CC)CC)NC(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C25H35N3O3/c1-4-16-26-25(30)23(27-24(29)21-10-8-7-9-11-21)19-20-12-14-22(15-13-20)31-18-17-28(5-2)6-3/h7-15,23H,4-6,16-19H2,1-3H3,(H,26,30)(H,27,29)"	"MYSYSIHJFCVQGR-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"102601-34-3"	"DTXSID20648387"	"Sodium 3-(cyclohexylamino)-2-hydroxypropane-1-sulfonate"	"EPA_DSSTox"	"OC(CNC1CCCCC1)CS(O)(=O)=O"	"[Na+]"	"InChI=1S/C9H19NO4S/c11-9(7-15(12,13)14)6-10-8-4-2-1-3-5-8/h8-11H,1-7H2,(H,12,13,14)"	"INEWUCPYEUEQTN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"10262-69-8"	"DTXSID7045029"	"Maprotiline"	"EPA_DSSTox"	"CNCCCC12CCC(C3C=CC=CC1=3)C1C=CC=CC2=1"	"?"	"InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3"	"QSLMDECMDJKHMQ-UHFFFAOYSA-N"	FALSE	FALSE	760	3	4
"10265-92-6"	"DTXSID6024177"	"Methamidophos"	"EPA_DSSTox"	"COP(N)(=O)SC"	"?"	"InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4)"	"NNKVPIKMPCQWCG-UHFFFAOYSA-N"	TRUE	FALSE	9.25	1	2
"10265-93-7"	NA	NA	"Public_CrossChecked"	"CCOP(N)(=O)SC"	"?"	"InChI=1S/C3H10NO2PS/c1-3-6-7(4,5)8-2/h3H2,1-2H3,(H2,4,5)"	"MINHJPWDPAMUSK-UHFFFAOYSA-N"	TRUE	FALSE	5	1	2
"102676-31-3"	"DTXSID4020618"	"Fadrozole hydrochloride"	"EPA_DSSTox"	"N#CC1C=CC(=CC=1)C1CCCC2=CN=CN21"	"Cl"	"InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2"	"CLPFFLWZZBQMAO-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"10268-78-7"	"DTXSID10145451"	"Acetamide, N,N'-m-phenylenebis- (6CI,7CI,8CI)"	"EPA_DSSTox"	"CC(=O)NC1=CC(=CC=C1)NC(C)=O"	"?"	"InChI=1S/C10H12N2O2/c1-7(13)11-9-4-3-5-10(6-9)12-8(2)14/h3-6H,1-2H3,(H,11,13)(H,12,14)"	"UQVKNKXDSWRQJE-UHFFFAOYSA-N"	FALSE	TRUE	10700	4	5
"10291-28-8"	"DTXSID4065024"	"2,5-Di-p-toluidinoterephthalic acid"	"EPA_DSSTox"	"CC1C=CC(=CC=1)NC1=CC(=C(C=C1C(O)=O)NC1C=CC(C)=CC=1)C(O)=O"	"?"	"InChI=1S/C22H20N2O4/c1-13-3-7-15(8-4-13)23-19-11-18(22(27)28)20(12-17(19)21(25)26)24-16-9-5-14(2)6-10-16/h3-12,23-24H,1-2H3,(H,25,26)(H,27,28)"	"FVLUGNOOEZYDNV-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"102938-79-4"	NA	NA	"Public_CrossChecked"	"BrC12CC3CC(C1)CC(C2)C3"	"?"	"InChI=1S/C10H15Br/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2"	"VQHPRVYDKRESCL-UHFFFAOYSA-N"	FALSE	TRUE	8474	4	5
"103-05-9"	"DTXSID3021851"	"2-Methyl-4-phenylbutan-2-ol"	"EPA_DSSTox"	"CC(C)(O)CCC1C=CC=CC=1"	"?"	"InChI=1S/C11H16O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3"	"YXVSKJDFNJFXAJ-UHFFFAOYSA-N"	FALSE	TRUE	2200	3	5
"103-07-1"	"DTXSID6051518"	"1,1-Dimethyl-3-phenylpropyl acetate"	"EPA_DSSTox"	"CC(=O)OC(C)(C)CCC1C=CC=CC=1"	"?"	"InChI=1S/C13H18O2/c1-11(14)15-13(2,3)10-9-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3"	"ZXFNOEJFYLQUSB-UHFFFAOYSA-N"	FALSE	TRUE	4850	3	5
"103-09-3"	"DTXSID8026694"	"2-Ethylhexyl acetate"	"EPA_DSSTox"	"CCCCC(COC(C)=O)CC"	"?"	"InChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3"	"WOYWLLHHWAMFCB-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"103-11-7"	"DTXSID9025297"	"2-Ethylhexyl acrylate"	"EPA_DSSTox"	"CCCCC(COC(=O)C=C)CC"	"?"	"InChI=1S/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3"	"GOXQRTZXKQZDDN-UHFFFAOYSA-N"	FALSE	TRUE	4435	3	5
"103-16-2"	"DTXSID2020717"	"4-(Benzyloxyl)phenol"	"EPA_DSSTox"	"OC1=CC=C(C=C1)OCC1C=CC=CC=1"	"?"	"InChI=1S/C13H12O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2"	"VYQNWZOUAUKGHI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"103-23-1"	"DTXSID0020606"	"Di(2-ethylhexyl) adipate"	"EPA_DSSTox"	"CCCCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CC"	"?"	"InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3"	"SAOKZLXYCUGLFA-UHFFFAOYSA-N"	FALSE	TRUE	7350	4	5
"103-24-2"	"DTXSID3026697"	"Bis(2-ethylhexyl) nonanedioate"	"EPA_DSSTox"	"CCCCC(COC(=O)CCCCCCCC(=O)OCC(CCCC)CC)CC"	"?"	"InChI=1S/C25H48O4/c1-5-9-16-22(7-3)20-28-24(26)18-14-12-11-13-15-19-25(27)29-21-23(8-4)17-10-6-2/h22-23H,5-21H2,1-4H3"	"ZDWGXBPVPXVXMQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"103-28-6"	"DTXSID6047602"	"Benzyl 2-methylpropanoate"	"EPA_DSSTox"	"CC(C)C(=O)OCC1C=CC=CC=1"	"?"	"InChI=1S/C11H14O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3"	"UIKJRDSCEYGECG-UHFFFAOYSA-N"	FALSE	TRUE	2850	3	5
"103-29-7"	"DTXSID8041668"	"Bibenzyl"	"EPA_DSSTox"	"C(CC1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2"	"QWUWMCYKGHVNAV-UHFFFAOYSA-N"	FALSE	TRUE	4518	3	5
"103-33-3"	"DTXSID8020123"	"Azobenzene"	"EPA_DSSTox"	"C1=CC=CC=C1N=NC1C=CC=CC=1"	"?"	"InChI=1S/C12H10N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H"	"DMLAVOWQYNRWNQ-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"103-34-4"	"DTXSID8026698"	"4,4'-Dithiodimorpholine"	"EPA_DSSTox"	"C1COCCN1SSN1CCOCC1"	"?"	"InChI=1S/C8H16N2O2S2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H2"	"HLBZWYXLQJQBKU-UHFFFAOYSA-N"	FALSE	TRUE	4300	3	5
"103-36-6"	"DTXSID9022520"	"Ethyl cinnamate"	"EPA_DSSTox"	"CCOC(=O)C=CC1C=CC=CC=1"	"?"	"InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3"	"KBEBGUQPQBELIU-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"103-37-7"	"DTXSID7047510"	"Benzyl butyrate"	"EPA_DSSTox"	"CCCC(=O)OCC1C=CC=CC=1"	"?"	"InChI=1S/C11H14O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3"	"VONGZNXBKCOUHB-UHFFFAOYSA-N"	FALSE	TRUE	2330	3	5
"103-38-8"	"DTXSID1047603"	"Benzyl 3-methylbutanoate"	"EPA_DSSTox"	"CC(C)CC(=O)OCC1C=CC=CC=1"	"?"	"InChI=1S/C12H16O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3"	"HVJKZICIMIWFCP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"103-41-3"	"DTXSID3041663"	"Benzyl cinnamate"	"EPA_DSSTox"	"O=C(C=CC1C=CC=CC=1)OCC1C=CC=CC=1"	"?"	"InChI=1S/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2"	"NGHOLYJTSCBCGC-UHFFFAOYSA-N"	FALSE	TRUE	5380	4	5
"103-44-6"	"DTXSID20870444"	"1-Ethenoxy-2-ethylhexane"	"EPA_DSSTox"	"CCCCC(COC=C)CC"	"?"	"InChI=1S/C10H20O/c1-4-7-8-10(5-2)9-11-6-3/h6,10H,3-5,7-9H2,1-2H3"	"DSSAWHFZNWVJEC-UHFFFAOYSA-N"	FALSE	FALSE	1350	3	4
"103-45-7"	"DTXSID7044506"	"2-Phenylethyl acetate"	"EPA_DSSTox"	"CC(=O)OCCC1C=CC=CC=1"	"?"	"InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3"	"MDHYEMXUFSJLGV-UHFFFAOYSA-N"	FALSE	TRUE	3670	3	5
"103-48-0"	"DTXSID7044764"	"2-Phenylethyl 2-methylpropanoate"	"EPA_DSSTox"	"CC(C)C(=O)OCCC1C=CC=CC=1"	"?"	"InChI=1S/C12H16O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3"	"JDQVBGQWADMTAM-UHFFFAOYSA-N"	FALSE	TRUE	5200	4	5
"103-50-4"	"DTXSID5025819"	"Dibenzyl ether"	"EPA_DSSTox"	"C(OCC1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2"	"MHDVGSVTJDSBDK-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"103-53-7"	"DTXSID1047605"	"2-Phenylethyl 3-phenylprop-2-enoate"	"EPA_DSSTox"	"O=C(C=CC1C=CC=CC=1)OCCC1C=CC=CC=1"	"?"	"InChI=1S/C17H16O2/c18-17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-12H,13-14H2"	"MJQVZIANGRDJBT-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"103-54-8"	"DTXSID2044765"	"3-Phenylprop-2-en-1-yl acetate"	"EPA_DSSTox"	"CC(=O)OCC=CC1C=CC=CC=1"	"?"	"InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3"	"WJSDHUCWMSHDCR-UHFFFAOYSA-N"	FALSE	TRUE	3300	3	5
"103-56-0"	"DTXSID1047607"	"3-Phenylprop-2-en-1-yl propanoate"	"EPA_DSSTox"	"CCC(=O)OCC=CC1C=CC=CC=1"	"?"	"InChI=1S/C12H14O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3"	"KGDJMNKPBUNHGY-UHFFFAOYSA-N"	FALSE	TRUE	3400	3	5
"103-59-3"	"DTXSID6047608"	"3-Phenylprop-2-en-1-yl 2-methylpropanoate"	"EPA_DSSTox"	"CC(C)C(=O)OCC=CC1C=CC=CC=1"	"?"	"InChI=1S/C13H16O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-9,11H,10H2,1-2H3"	"KLKQSZIWHVEARN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"103-60-6"	"DTXSID7042279"	"Phenoxyethyl isobutyrate"	"EPA_DSSTox"	"CC(C)C(=O)OCCOC1C=CC=CC=1"	"?"	"InChI=1S/C12H16O3/c1-10(2)12(13)15-9-8-14-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3"	"MJTPMXWJHPOWGH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"103-63-9"	"DTXSID1033876"	"Phenethyl bromide"	"EPA_DSSTox"	"BrCCC1C=CC=CC=1"	"?"	"InChI=1S/C8H9Br/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2"	"WMPPDTMATNBGJN-UHFFFAOYSA-N"	FALSE	FALSE	811	3	4
"103-64-0"	NA	NA	"Public_CrossChecked"	"BrC=CC1C=CC=CC=1"	"?"	"InChI=1S/C8H7Br/c9-7-6-8-4-2-1-3-5-8/h1-7H"	"YMOONIIMQBGTDU-UHFFFAOYSA-N"	FALSE	FALSE	1250	3	4
"103-65-1"	"DTXSID3042219"	"Propylbenzene"	"EPA_DSSTox"	"CCCC1C=CC=CC=1"	"?"	"InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3"	"ODLMAHJVESYWTB-UHFFFAOYSA-N"	FALSE	TRUE	6040	4	5
"103-71-9"	"DTXSID5051521"	"Phenyl isocyanate"	"EPA_DSSTox"	"O=C=NC1C=CC=CC=1"	"?"	"InChI=1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H"	"DGTNSSLYPYDJGL-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"103-74-2"	"DTXSID2044767"	"2-(Pyridin-2-yl)ethanol"	"EPA_DSSTox"	"OCCC1C=CC=CN=1"	"?"	"InChI=1S/C7H9NO/c9-6-4-7-3-1-2-5-8-7/h1-3,5,9H,4,6H2"	"BXGYBSJAZFGIPX-UHFFFAOYSA-N"	FALSE	TRUE	3842	3	5
"103-75-3"	"DTXSID40883293"	"2H-Pyran, 2-ethoxy-3,4-dihydro-"	"EPA_DSSTox"	"CCOC1CCC=CO1"	"?"	"InChI=1S/C7H12O2/c1-2-8-7-5-3-4-6-9-7/h4,6-7H,2-3,5H2,1H3"	"VZJFPIXCMVSTID-UHFFFAOYSA-N"	FALSE	TRUE	6160	4	5
"103-82-2"	"DTXSID2021656"	"Phenylacetic acid"	"EPA_DSSTox"	"OC(=O)CC1C=CC=CC=1"	"?"	"InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)"	"WLJVXDMOQOGPHL-UHFFFAOYSA-N"	FALSE	TRUE	2250	3	5
"103-83-3"	"DTXSID8021854"	"N,N-Dimethylbenzylamine"	"EPA_DSSTox"	"CN(C)CC1C=CC=CC=1"	"?"	"InChI=1S/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3"	"XXBDWLFCJWSEKW-UHFFFAOYSA-N"	FALSE	FALSE	265	2	3
"103-84-4"	"DTXSID2022543"	"Acetanilide"	"EPA_DSSTox"	"CC(=O)NC1C=CC=CC=1"	"?"	"InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)"	"FZERHIULMFGESH-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"103-85-5"	"DTXSID9021134"	"1-Phenyl-2-thiourea"	"EPA_DSSTox"	"NC(=S)NC1C=CC=CC=1"	"?"	"InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)"	"FULZLIGZKMKICU-UHFFFAOYSA-N"	TRUE	FALSE	3	1	1
"103-90-2"	"DTXSID2020006"	"Acetaminophen"	"EPA_DSSTox"	"CC(=O)NC1C=CC(O)=CC=1"	"?"	"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"	FALSE	FALSE	1944	3	4
"103-95-7"	"DTXSID2044769"	"2-Methyl-3-[4-(propan-2-yl)phenyl]propanal"	"EPA_DSSTox"	"CC(C)C1=CC=C(CC(C)C=O)C=C1"	"?"	"InChI=1S/C13H18O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,9-11H,8H2,1-3H3"	"ZFNVDHOSLNRHNN-UHFFFAOYSA-N"	FALSE	TRUE	3810	3	5
"10305-38-1"	NA	NA	"Public_CrossChecked"	"CCCCCCOCC(O)CO"	"?"	"InChI=1S/C9H20O3/c1-2-3-4-5-6-12-8-9(11)7-10/h9-11H,2-8H2,1H3"	"MQVMITUCTLYRNV-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"10305-41-6"	NA	NA	"Public_CrossChecked"	"OC(COC1CCCCC1)CO"	"?"	"InChI=1S/C9H18O3/c10-6-8(11)7-12-9-4-2-1-3-5-9/h8-11H,1-7H2"	"OWTXHZITCDRRTI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"103079-06-7"	NA	NA	"Public_CrossChecked"	"CC(O)C1=CCC(CC1O)C(C)(C)O"	"?"	"InChI=1S/C11H20O3/c1-7(12)9-5-4-8(6-10(9)13)11(2,3)14/h5,7-8,10,12-14H,4,6H2,1-3H3"	"WRDVDXRHENMJHL-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1031-47-6"	"DTXSID2042482"	"Triamiphos"	"EPA_DSSTox"	"CN(C)P(=O)(N1N=C(N=C1N)C1C=CC=CC=1)N(C)C"	"?"	"InChI=1S/C12H19N6OP/c1-16(2)20(19,17(3)4)18-12(13)14-11(15-18)10-8-6-5-7-9-10/h5-9H,1-4H3,(H2,13,14,15)"	"BABJTMNVJXLAEX-UHFFFAOYSA-N"	TRUE	FALSE	20	1	2
"10310-32-4"	"DTXSID7023697"	"Tribenoside"	"EPA_DSSTox"	"CCOC1OC(C(OCC2=CC=CC=C2)C1O)C(COCC1=CC=CC=C1)OCC1=CC=CC=C1"	"?"	"InChI=1S/C29H34O6/c1-2-32-29-26(30)28(34-20-24-16-10-5-11-17-24)27(35-29)25(33-19-23-14-8-4-9-15-23)21-31-18-22-12-6-3-7-13-22/h3-17,25-30H,2,18-21H2,1H3"	"ULLNJSBQMBKOJH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"10310-38-0"	"DTXSID20872766"	"Ethylenebis[tris(2-cyanoethyl)phosphonium bromide]"	"EPA_DSSTox"	"N#CCC[P+](CC[P+](CCC#N)(CCC#N)CCC#N)(CCC#N)CCC#N"	"[Br-].[Br-]"	"InChI=1S/C20H28N6P2/c21-7-1-13-27(14-2-8-22,15-3-9-23)19-20-28(16-4-10-24,17-5-11-25)18-6-12-26/h1-6,13-20H2/q+2"	"ZVMPJYOXBKFDPO-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"103112-35-2"	"DTXSID6041268"	"Fenchlorazole-ethyl"	"EPA_DSSTox"	"CCOC(=O)C1N=C(N(N=1)C1C=CC(Cl)=CC=1Cl)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C12H8Cl5N3O2/c1-2-22-10(21)9-18-11(12(15,16)17)20(19-9)8-4-3-6(13)5-7(8)14/h3-5H,2H2,1H3"	"GMBRUAIJEFRHFQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"10312-19-3"	NA	NA	"Public_CrossChecked"	"COP(=S)(OC)SC(CBr)N1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C12H13BrNO4PS2/c1-17-19(20,18-2)21-10(7-13)14-11(15)8-5-3-4-6-9(8)12(14)16/h3-6,10H,7H2,1-2H3"	"OBEHAXQUCIQWHH-UHFFFAOYSA-N"	FALSE	FALSE	188	2	3
"10312-20-6"	NA	NA	"Public_CrossChecked"	"CCOP(=S)(OCC)SC(CBr)N1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C14H17BrNO4PS2/c1-3-19-21(22,20-4-2)23-12(9-15)16-13(17)10-7-5-6-8-11(10)14(16)18/h5-8,12H,3-4,9H2,1-2H3"	"VHZAYCWPUISZRN-UHFFFAOYSA-N"	TRUE	FALSE	18	1	2
"10326-41-7"	"DTXSID0047030"	"D-Lactic acid"	"EPA_DSSTox"	"CC(O)C(O)=O"	"?"	"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)"	"JVTAAEKCZFNVCJ-UHFFFAOYSA-N"	FALSE	TRUE	3543	3	5
"10329-95-0"	NA	NA	"Public_CrossChecked"	"O=C1C(CCC(=O)N1CN1CCOCC1)N1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C18H19N3O5/c22-15-6-5-14(18(25)20(15)11-19-7-9-26-10-8-19)21-16(23)12-3-1-2-4-13(12)17(21)24/h1-4,14H,5-11H2"	"IMFASZSXAQHCHV-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"10329-96-1"	"DTXSID80145746"	"Morpholino-beta-thalidomide"	"EPA_DSSTox"	"O=C1CC(CC(=O)N1CN1CCOCC1)N1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C18H19N3O5/c22-15-9-12(10-16(23)20(15)11-19-5-7-26-8-6-19)21-17(24)13-3-1-2-4-14(13)18(21)25/h1-4,12H,5-11H2"	"FDOBAWPDCWCNRJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"10331-57-4"	"DTXSID5023249"	"Menichlopholan"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC(Cl)=CC(C2=CC(Cl)=CC(=C2O)[N+]([O-])=O)=C1O"	"?"	"InChI=1S/C12H6Cl2N2O6/c13-5-1-7(11(17)9(3-5)15(19)20)8-2-6(14)4-10(12(8)18)16(21)22/h1-4,17-18H"	"XULACPAEUUWKFX-UHFFFAOYSA-N"	TRUE	FALSE	10	1	2
"103335-54-2"	NA	NA	"Public_CrossChecked"	"CC12CCC3C(CCC4=NC(=O)CCC43C)C1CCC2C(O)=O"	"?"	"InChI=1S/C19H27NO3/c1-18-9-7-13-11(12(18)4-5-14(18)17(22)23)3-6-15-19(13,2)10-8-16(21)20-15/h11-14H,3-10H2,1-2H3,(H,22,23)"	"OXSHVARYXXNRKZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"103361-09-7"	"DTXSID7032555"	"Flumioxazin"	"EPA_DSSTox"	"C#CCN1C2=CC(=C(F)C=C2OCC1=O)N1C(=O)C2CCCCC=2C1=O"	"?"	"InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2"	"FOUWCSDKDDHKQP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1034-01-1"	"DTXSID4040713"	"Octyl gallate"	"EPA_DSSTox"	"CCCCCCCCOC(=O)C1C=C(O)C(O)=C(O)C=1"	"?"	"InChI=1S/C15H22O5/c1-2-3-4-5-6-7-8-20-15(19)11-9-12(16)14(18)13(17)10-11/h9-10,16-18H,2-8H2,1H3"	"NRPKURNSADTHLJ-UHFFFAOYSA-N"	FALSE	FALSE	1960	3	4
"103446-98-6"	"DTXSID80145862"	"AA 2379"	"EPA_DSSTox"	"CNC1=C2C(=NN1C(=O)OC)N(CCCC)C(=O)N(CCC)C2=O"	"?"	"InChI=1S/C15H23N5O4/c1-5-7-9-18-12-10(13(21)19(8-6-2)14(18)22)11(16-3)20(17-12)15(23)24-4/h16H,5-9H2,1-4H3"	"AKJPAUXGPOUISG-UHFFFAOYSA-N"	FALSE	TRUE	2380	3	5
"10347-54-3"	"DTXSID2065046"	"1,4-Bis(isocyanatomethyl)cyclohexane"	"EPA_DSSTox"	"O=C=NCC1CCC(CN=C=O)CC1"	"?"	"InChI=1S/C10H14N2O2/c13-7-11-5-9-1-2-10(4-3-9)6-12-8-14/h9-10H,1-6H2"	"ROHUXHMNZLHBSF-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"103628-48-4"	"DTXSID60145966"	"Sumatriptan succinate"	"EPA_DSSTox"	"CNS(=O)(=O)CC1C=C2C(=CC=1)NC=C2CCN(C)C"	"OC(=O)CCC(O)=O"	"InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3"	"KQKPFRSPSRPDEB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"10389-72-7"	"DTXSID90146128"	"Clortermine hydrochloride"	"EPA_DSSTox"	"CC(C)(N)CC1C=CC=CC=1Cl"	"Cl"	"InChI=1S/C10H14ClN/c1-10(2,12)7-8-5-3-4-6-9(8)11/h3-6H,7,12H2,1-2H3"	"HXCXASJHZQXCKK-UHFFFAOYSA-N"	FALSE	FALSE	332	2	4
"103890-78-4"	"DTXSID1046429"	"Lacidipine"	"EPA_DSSTox"	"CC(C)(C)OC(=O)C=CC1=CC=CC=C1C1C(C(=O)OCC)=C(C)NC(C)=C1C(=O)OCC"	"?"	"InChI=1S/C26H33NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-13-11-10-12-18(19)14-15-20(28)33-26(5,6)7/h10-15,23,27H,8-9H2,1-7H3"	"GKQPCPXONLDCMU-UHFFFAOYSA-N"	FALSE	FALSE	880	3	4
"1039-59-4"	"DTXSID40146133"	"Phenothiazine, 10-(3-dimethylaminopropyl)-2-methylthio-"	"EPA_DSSTox"	"CN(C)CCCN1C2C=C(C=CC=2SC2C=CC=CC1=2)SC"	"?"	"InChI=1S/C18H22N2S2/c1-19(2)11-6-12-20-15-7-4-5-8-17(15)22-18-10-9-14(21-3)13-16(18)20/h4-5,7-10,13H,6,11-12H2,1-3H3"	"VAKQWULGGDTKGR-UHFFFAOYSA-N"	FALSE	FALSE	1450	3	4
"10397-75-8"	"DTXSID7023148"	"Iocarmic acid"	"EPA_DSSTox"	"CNC(=O)C1C(I)=C(NC(=O)CCCCC(=O)NC2C(I)=C(C(I)=C(C=2I)C(=O)NC)C(O)=O)C(I)=C(C=1I)C(O)=O"	"?"	"InChI=1S/C24H20I6N4O8/c1-31-21(37)9-13(25)11(23(39)40)17(29)19(15(9)27)33-7(35)5-3-4-6-8(36)34-20-16(28)10(22(38)32-2)14(26)12(18(20)30)24(41)42/h3-6H2,1-2H3,(H,31,37)(H,32,38)(H,33,35)(H,34,36)(H,39,40)(H,41,42)"	"SMQYOVYWPWASGU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"104-14-3"	"DTXSID7043873"	"Octopamine"	"EPA_DSSTox"	"NCC(O)C1=CC=C(O)C=C1"	"?"	"InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2"	"QHGUCRYDKWKLMG-UHFFFAOYSA-N"	FALSE	FALSE	1240	3	4
"104-15-4"	"DTXSID0026701"	"4-Methylbenzenesulfonic acid"	"EPA_DSSTox"	"CC1=CC=C(C=C1)S(O)(=O)=O"	"?"	"InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)"	"JOXIMZWYDAKGHI-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"104-20-1"	"DTXSID5047166"	"4-(4-Methoxyphenyl)-2-butanone"	"EPA_DSSTox"	"CC(=O)CCC1=CC=C(C=C1)OC"	"?"	"InChI=1S/C11H14O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-8H,3-4H2,1-2H3"	"PCBSXBYCASFXTM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"104-27-8"	"DTXSID4047412"	"1-(4-Methoxyphenyl)-1-pentene-3-one"	"EPA_DSSTox"	"CCC(=O)C=CC1C=CC(=CC=1)OC"	"?"	"InChI=1S/C12H14O2/c1-3-11(13)7-4-10-5-8-12(14-2)9-6-10/h4-9H,3H2,1-2H3"	"SLDQOBRACOQXGE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"104-40-5"	"DTXSID5033836"	"4-Nonylphenol"	"EPA_DSSTox"	"CCCCCCCCCC1C=CC(O)=CC=1"	"?"	"InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3"	"IGFHQQFPSIBGKE-UHFFFAOYSA-N"	FALSE	FALSE	1620	3	4
"104-45-0"	"DTXSID0042325"	"4-Propylanisole"	"EPA_DSSTox"	"CCCC1=CC=C(C=C1)OC"	"?"	"InChI=1S/C10H14O/c1-3-4-9-5-7-10(11-2)8-6-9/h5-8H,3-4H2,1-2H3"	"KBHWKXNXTURZCD-UHFFFAOYSA-N"	FALSE	TRUE	4400	3	5
"104-46-1"	"DTXSID4020086"	"Anethole"	"EPA_DSSTox"	"CC=CC1=CC=C(C=C1)OC"	"?"	"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3"	"RUVINXPYWBROJD-UHFFFAOYSA-N"	FALSE	TRUE	2090	3	5
"104-50-7"	"DTXSID1047609"	"4-Octanolide"	"EPA_DSSTox"	"CCCCC1CCC(=O)O1"	"?"	"InChI=1S/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3"	"IPBFYZQJXZJBFQ-UHFFFAOYSA-N"	FALSE	TRUE	4400	3	5
"104-53-0"	"DTXSID0047610"	"3-Phenylpropanal"	"EPA_DSSTox"	"O=CCCC1C=CC=CC=1"	"?"	"InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2"	"YGCZTXZTJXYWCO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"104-54-1"	"DTXSID9041491"	"3-Phenyl-2-propen-1-ol"	"EPA_DSSTox"	"OCC=CC1C=CC=CC=1"	"?"	"InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2"	"OOCCDEMITAIZTP-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"104-55-2"	"DTXSID1024835"	"3-Phenylprop-2-enal"	"EPA_DSSTox"	"O=CC=CC1C=CC=CC=1"	"?"	"InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H"	"KJPRLNWUNMBNBZ-UHFFFAOYSA-N"	FALSE	TRUE	2200	3	5
"104-57-4"	"DTXSID5059298"	"Formic acid, phenylmethyl ester"	"EPA_DSSTox"	"O=COCC1C=CC=CC=1"	"?"	"InChI=1S/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2"	"UYWQUFXKFGHYNT-UHFFFAOYSA-N"	FALSE	FALSE	1400	3	4
"104-61-0"	"DTXSID0034229"	"gamma-Nonanolactone"	"EPA_DSSTox"	"CCCCCC1CCC(=O)O1"	"?"	"InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3"	"OALYTRUKMRCXNH-UHFFFAOYSA-N"	FALSE	TRUE	6600	4	5
"104-62-1"	"DTXSID2059300"	"Formic acid, 2-phenylethyl ester"	"EPA_DSSTox"	"O=COCCC1C=CC=CC=1"	"?"	"InChI=1S/C9H10O2/c10-8-11-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2"	"IKDIJXDZEYHZSD-UHFFFAOYSA-N"	FALSE	TRUE	3220	3	5
"104-64-3"	"DTXSID40861713"	"Benzenepropanol, 1-formate"	"EPA_DSSTox"	"O=COCCCC1C=CC=CC=1"	"?"	"InChI=1S/C10H12O2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2"	"AMHRXSOVSAQOKL-UHFFFAOYSA-N"	FALSE	TRUE	4090	3	5
"104-65-4"	"DTXSID00861714"	"2-Propen-1-ol, 3-phenyl-, 1-formate"	"EPA_DSSTox"	"O=COCC=CC1C=CC=CC=1"	"?"	"InChI=1S/C10H10O2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2"	"LBHJXKYRYCUGPD-UHFFFAOYSA-N"	FALSE	TRUE	2900	3	5
"104-66-5"	"DTXSID5026706"	"1,2-Diphenoxyethane"	"EPA_DSSTox"	"C(COC1C=CC=CC=1)OC1C=CC=CC=1"	"?"	"InChI=1S/C14H14O2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2"	"XCSGHNKDXGYELG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"104-67-6"	"DTXSID4034287"	"5-Heptyldihydro-2(3H)-furanone"	"EPA_DSSTox"	"CCCCCCCC1CCC(=O)O1"	"?"	"InChI=1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3"	"PHXATPHONSXBIL-UHFFFAOYSA-N"	FALSE	TRUE	18500	4	5
"104-75-6"	"DTXSID4025298"	"2-Ethylhexylamine"	"EPA_DSSTox"	"CCCCC(CN)CC"	"?"	"InChI=1S/C8H19N/c1-3-5-6-8(4-2)7-9/h8H,3-7,9H2,1-2H3"	"LTHNHFOGQMKPOV-UHFFFAOYSA-N"	FALSE	FALSE	450	2	4
"104-76-7"	"DTXSID5020605"	"2-Ethyl-1-hexanol"	"EPA_DSSTox"	"CCCCC(CO)CC"	"?"	"InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3"	"YIWUKEYIRIRTPP-UHFFFAOYSA-N"	FALSE	TRUE	2047	3	5
"104-78-9"	"DTXSID7059303"	"1,3-Propanediamine, N,N-diethyl-"	"EPA_DSSTox"	"CCN(CCCN)CC"	"?"	"InChI=1S/C7H18N2/c1-3-9(4-2)7-5-6-8/h3-8H2,1-2H3"	"QOHMWDJIBGVPIF-UHFFFAOYSA-N"	FALSE	FALSE	410	2	4
"104-85-8"	"DTXSID6026169"	"4-Methylbenzonitrile"	"EPA_DSSTox"	"CC1=CC=C(C=C1)C#N"	"?"	"InChI=1S/C8H7N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H3"	"VCZNNAKNUVJVGX-UHFFFAOYSA-N"	FALSE	TRUE	3800	3	5
"104-87-0"	"DTXSID9041520"	"4-Methylbenzaldehyde"	"EPA_DSSTox"	"CC1=CC=C(C=C1)C=O"	"?"	"InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3"	"FXLOVSHXALFLKQ-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"104-89-2"	"DTXSID00870447"	"Piperidine, 5-ethyl-2-methyl-"	"EPA_DSSTox"	"CC1CCC(CN1)CC"	"?"	"InChI=1S/C8H17N/c1-3-8-5-4-7(2)9-6-8/h7-9H,3-6H2,1-2H3"	"XOFNHZHCGBPVGJ-UHFFFAOYSA-N"	FALSE	FALSE	540	3	4
"104-90-5"	"DTXSID7021861"	"5-Ethyl-2-methylpyridine"	"EPA_DSSTox"	"CC1C=CC(CC)=CN=1"	"?"	"InChI=1S/C8H11N/c1-3-8-5-4-7(2)9-6-8/h4-6H,3H2,1-2H3"	"NTSLROIKFLNUIJ-UHFFFAOYSA-N"	FALSE	FALSE	368	2	4
"104-92-7"	"DTXSID2059308"	"Benzene, 1-bromo-4-methoxy-"	"EPA_DSSTox"	"COC1C=CC(Br)=CC=1"	"?"	"InChI=1S/C7H7BrO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3"	"QJPJQTDYNZXKQF-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"104-94-9"	"DTXSID7024532"	"4-Methoxyaniline"	"EPA_DSSTox"	"COC1C=CC(N)=CC=1"	"?"	"InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3"	"BHAAPTBBJKJZER-UHFFFAOYSA-N"	FALSE	FALSE	1320	3	4
"10402-52-5"	"DTXSID40864264"	"Benzeneethanol, .beta.-methyl-, 1-acetate"	"EPA_DSSTox"	"CC(=O)OCC(C)C1C=CC=CC=1"	"?"	"InChI=1S/C11H14O2/c1-9(8-13-10(2)12)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3"	"RVPTTWAAIKMYAH-UHFFFAOYSA-N"	FALSE	TRUE	4300	3	5
"10402-53-6"	"DTXSID1046631"	"Eprazinone dihydrochloride"	"EPA_DSSTox"	"CC(CN1CCN(CC(OCC)C2C=CC=CC=2)CC1)C(=O)C1C=CC=CC=1"	"Cl.Cl"	"InChI=1S/C24H32N2O2/c1-3-28-23(21-10-6-4-7-11-21)19-26-16-14-25(15-17-26)18-20(2)24(27)22-12-8-5-9-13-22/h4-13,20,23H,3,14-19H2,1-2H3"	"BSHWLCACYCVCJE-UHFFFAOYSA-N"	FALSE	FALSE	763	3	4
"104040-78-0"	"DTXSID3034610"	"Flazasulfuron"	"EPA_DSSTox"	"COC1=CC(=NC(NC(=O)NS(=O)(=O)C2N=CC=CC=2C(F)(F)F)=N1)OC"	"?"	"InChI=1S/C13H12F3N5O5S/c1-25-8-6-9(26-2)19-11(18-8)20-12(22)21-27(23,24)10-7(13(14,15)16)4-3-5-17-10/h3-6H,1-2H3,(H2,18,19,20,21,22)"	"HWATZEJQIXKWQS-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"10405-02-4"	"DTXSID7023724"	"Trospium chloride"	"EPA_DSSTox"	"OC(C(=O)OC1CC2CCC(C1)[N+]12CCCC1)(C1C=CC=CC=1)C1C=CC=CC=1"	"[Cl-]"	"InChI=1S/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26/h1-6,9-12,21-23,28H,7-8,13-18H2/q+1"	"OYYDSUSKLWTMMQ-UHFFFAOYSA-N"	FALSE	FALSE	1510	3	4
"10411-92-4"	NA	NA	"Public_CrossChecked"	"CC(=O)OC1CCC(CC1)C(C)(C)C"	"?"	"InChI=1S/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3"	"MBZRJSQZCBXRGK-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"10415-87-9"	"DTXSID60864266"	"Benzenepropanol, .alpha.-ethyl-.alpha.-methyl-"	"EPA_DSSTox"	"CCC(C)(O)CCC1C=CC=CC=1"	"?"	"InChI=1S/C12H18O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3"	"AEJRTNBCFUOSEM-UHFFFAOYSA-N"	FALSE	TRUE	2950	3	5
"10419-79-1"	"DTXSID40146335"	"Phosphonic acid, (2-chloroethyl)-, diethyl ester"	"EPA_DSSTox"	"CCOP(=O)(CCCl)OCC"	"?"	"InChI=1S/C6H14ClO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-6H2,1-2H3"	"GMDLEOVIACJWTD-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"10420-33-4"	"DTXSID0041692"	"Dimethyl acetylsuccinate"	"EPA_DSSTox"	"CC(=O)C(CC(=O)OC)C(=O)OC"	"?"	"InChI=1S/C8H12O5/c1-5(9)6(8(11)13-3)4-7(10)12-2/h6H,4H2,1-3H3"	"XREKLQOUFWBSFH-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"104206-82-8"	"DTXSID7032424"	"Mesotrione"	"EPA_DSSTox"	"CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C1C(=O)CCCC1=O)[N+]([O-])=O"	"?"	"InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3"	"KPUREKXXPHOJQT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"10423-37-7"	"DTXSID00146356"	"Citenamide"	"EPA_DSSTox"	"NC(=O)C1C2C=CC=CC=2C=CC2C=CC=CC=21"	"?"	"InChI=1S/C16H13NO/c17-16(18)15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10,15H,(H2,17,18)"	"HXQAPLNYYFQSFU-UHFFFAOYSA-N"	FALSE	FALSE	1800	3	4
"10436-39-2"	"DTXSID2051475"	"1,1,2,3-Tetrachloropropene"	"EPA_DSSTox"	"ClC(Cl)=C(Cl)CCl"	"?"	"InChI=1S/C3H2Cl4/c4-1-2(5)3(6)7/h1H2"	"UMGQVBVEWTXECF-UHFFFAOYSA-N"	FALSE	FALSE	350	2	4
"10443-70-6"	"DTXSID4058287"	"MCPB ethyl"	"EPA_DSSTox"	"CC1C=C(Cl)C=CC=1OCCCC(=O)OCC"	"?"	"InChI=1S/C13H17ClO3/c1-3-16-13(15)5-4-8-17-12-7-6-11(14)9-10(12)2/h6-7,9H,3-5,8H2,1-2H3"	"XNKARWLGLZGMGX-UHFFFAOYSA-N"	FALSE	FALSE	1420	3	4
"10447-38-8"	NA	NA	"Public_CrossChecked"	"OC(C1CN2CCC1CC2)(C1=CC=CC=C1)C1=CC=CC=C1"	"?"	"InChI=1S/C20H23NO/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-15-21-13-11-16(19)12-14-21/h1-10,16,19,22H,11-15H2"	"PZMAHNDJABQWGS-UHFFFAOYSA-N"	FALSE	FALSE	440	2	4
"104485-01-0"	"DTXSID70883140"	"Trapencaine"	"EPA_DSSTox"	"CCCCCOC1=CC=CC(=C1)NC(=O)OC1CCCCC1N1CCCC1"	"?"	"InChI=1S/C22H34N2O3/c1-2-3-8-16-26-19-11-9-10-18(17-19)23-22(25)27-21-13-5-4-12-20(21)24-14-6-7-15-24/h9-11,17,20-21H,2-8,12-16H2,1H3,(H,23,25)"	"HVYGHQWGUABUST-UHFFFAOYSA-N"	FALSE	FALSE	1030	3	4
"1045-21-2"	"DTXSID10146509"	"Pentoxyverine hydrochloride"	"EPA_DSSTox"	"CCN(CCOCCOC(=O)C1(CCCC1)C1C=CC=CC=1)CC"	"Cl"	"InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3"	"CFJMRBQWBDQYMK-UHFFFAOYSA-N"	FALSE	FALSE	830	3	4
"10453-86-8"	"DTXSID7022253"	"Resmethrin"	"EPA_DSSTox"	"CC(C)=CC1C(C(=O)OCC2C=C(CC3C=CC=CC=3)OC=2)C1(C)C"	"?"	"InChI=1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3"	"VEMKTZHHVJILDY-UHFFFAOYSA-N"	FALSE	FALSE	1244	3	4
"104617-50-7"	NA	NA	"Public_CrossChecked"	"CC(=O)NC1CC2SC(N)=NC=2CC1"	"Br"	"InChI=1S/C9H13N3OS/c1-5(13)11-6-2-3-7-8(4-6)14-9(10)12-7/h6H,2-4H2,1H3,(H2,10,12)(H,11,13)"	"QXKCTWPNUINDQK-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"104632-26-0"	"DTXSID6023496"	"Pramipexole"	"EPA_DSSTox"	"CCCNC1CC2SC(N)=NC=2CC1"	"?"	"InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)"	"FASDKYOPVNHBLU-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"104653-34-1"	"DTXSID4032374"	"Difethialone"	"EPA_DSSTox"	"OC1=C(C2CC(CC3C=CC=CC=32)C2C=CC(=CC=2)C2C=CC(Br)=CC=2)C(=O)SC2C=CC=CC=21"	"?"	"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/h1-16,23,27,33H,17-18H2"	"JHELOZJAKXYVBE-UHFFFAOYSA-N"	TRUE	FALSE	0.55	1	1
"104683-52-5"	"DTXSID50146649"	"CI 926"	"EPA_DSSTox"	"CC1C=C(C=CC=1)N1CCN(CCCCN2C(=O)NCC2=O)CC1"	"?"	"InChI=1S/C18H26N4O2/c1-15-5-4-6-16(13-15)21-11-9-20(10-12-21)7-2-3-8-22-17(23)14-19-18(22)24/h4-6,13H,2-3,7-12,14H2,1H3,(H,19,24)"	"SRAHKOZZGVIVTC-UHFFFAOYSA-N"	FALSE	FALSE	383	2	4
"1047-16-1"	"DTXSID5027354"	"Quinacridone"	"EPA_DSSTox"	"O=C1C2C=C3NC4C=CC=CC=4C(=O)C3=CC=2NC2C=CC=CC1=2"	"?"	"InChI=1S/C20H12N2O2/c23-19-11-5-1-3-7-15(11)21-17-10-14-18(9-13(17)19)22-16-8-4-2-6-12(16)20(14)24/h1-10H,(H,21,23)(H,22,24)"	"NRCMAYZCPIVABH-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"10474-14-3"	NA	NA	"Public_CrossChecked"	"CC(Br)(CCl)CBr"	"?"	"InChI=1S/C4H7Br2Cl/c1-4(6,2-5)3-7/h2-3H2,1H3"	"DPDUMUDRFCRZGY-UHFFFAOYSA-N"	FALSE	FALSE	780	3	4
"104821-37-6"	NA	NA	"Public_CrossChecked"	"NC(=O)CCN1CCN(CC1)C1CC2C=C(Cl)C=CC=2SC2C=C(F)C=CC=21"	"CS(=O)(=O)O"	"InChI=1S/C21H23ClFN3OS/c22-15-1-4-19-14(11-15)12-18(17-3-2-16(23)13-20(17)28-19)26-9-7-25(8-10-26)6-5-21(24)27/h1-4,11,13,18H,5-10,12H2,(H2,24,27)"	"YTRZDTTZCDSVOR-UHFFFAOYSA-N"	FALSE	FALSE	472	2	4
"10484-36-3"	"DTXSID2065092"	"Benzene, 2-methoxy-1-(pentyloxy)-4-(1-propenyl)-"	"EPA_DSSTox"	"COC1C=C(C=CC)C=CC=1OCCCCC"	"?"	"InChI=1S/C15H22O2/c1-4-6-7-11-17-14-10-9-13(8-5-2)12-15(14)16-3/h5,8-10,12H,4,6-7,11H2,1-3H3"	"IKJFIKIKJWLIQS-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"10486-14-3"	"DTXSID90884477"	"Benzeneacetic acid, (3S)-3,7-dimethyl-7-octen-1-yl ester"	"EPA_DSSTox"	"CC(=C)CCCC(C)CCOC(=O)CC1C=CC=CC=1"	"?"	"InChI=1S/C18H26O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,10-11,16H,1,7-9,12-14H2,2-3H3"	"SKZDJVXLRPCFQC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"104902-34-3"	"DTXSID80146819"	"1,8-Naphthyridin-2(1H)-one, 1-(3-(trifluoromethyl)phenyl)-"	"EPA_DSSTox"	"O=C1C=CC2C=CC=NC=2N1C1C=C(C=CC=1)C(F)(F)F"	"?"	"InChI=1S/C15H9F3N2O/c16-15(17,18)11-4-1-5-12(9-11)20-13(21)7-6-10-3-2-8-19-14(10)20/h1-9H"	"JYBGXMXDAGYSMQ-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"104907-82-6"	"DTXSID60146832"	"Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-ethyl-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester"	"EPA_DSSTox"	"CN1N=CC(=C1N1C(CC)=NC2C=CC=CC=2C1=O)C(=O)OCC"	"?"	"InChI=1S/C17H18N4O3/c1-4-14-19-13-9-7-6-8-11(13)16(22)21(14)15-12(10-18-20(15)3)17(23)24-5-2/h6-10H,4-5H2,1-3H3"	"JDNCODGUJTXTPI-UHFFFAOYSA-N"	FALSE	FALSE	1825	3	4
"10497-05-9"	NA	NA	"Public_CrossChecked"	"C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C"	"?"	"InChI=1S/C9H27O4PSi3/c1-15(2,3)11-14(10,12-16(4,5)6)13-17(7,8)9/h1-9H3"	"QJMMCGKXBZVAEI-UHFFFAOYSA-N"	FALSE	TRUE	3440	3	5
"104987-11-3"	"DTXSID5046354"	"Tacrolimus"	"EPA_DSSTox"	"CC1CC(C)CC(OC)C2OC(O)(C(C)CC2OC)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)C(O)CC(=O)C(CC=C)C=1)C(C)=CC1CC(OC)C(O)CC1"	"?"	"InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3"	"QJJXYPPXXYFBGM-UHFFFAOYSA-N"	FALSE	FALSE	134	2	3
"105-01-1"	"DTXSID4051532"	"Isobutyl furan-2-propionate"	"EPA_DSSTox"	"CC(C)COC(=O)CCC1=CC=CO1"	"?"	"InChI=1S/C11H16O3/c1-9(2)8-14-11(12)6-5-10-4-3-7-13-10/h3-4,7,9H,5-6,8H2,1-2H3"	"SVDPTFHRRNUNRS-UHFFFAOYSA-N"	FALSE	FALSE	1950	3	4
"105-05-5"	"DTXSID4026711"	"1,4-Diethylbenzene"	"EPA_DSSTox"	"CCC1C=CC(CC)=CC=1"	"?"	"InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3"	"DSNHSQKRULAAEI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"105-11-3"	"DTXSID8021222"	"p-Benzoquinone dioxime"	"EPA_DSSTox"	"O=NC1C=CC(C=C1)N=O"	"?"	"InChI=1S/C6H6N2O2/c9-7-5-1-2-6(8-10)4-3-5/h1-6H"	"FFVVRMLNYSANFV-UHFFFAOYSA-N"	FALSE	FALSE	464	2	4
"105-12-4"	"DTXSID5029138"	"Benzene, 1,4-dinitroso-"	"EPA_DSSTox"	"O=NC1C=CC(=CC=1)N=O"	"?"	"InChI=1S/C6H4N2O2/c9-7-5-1-2-6(8-10)4-3-5/h1-4H"	"MKZXROSCOHNKDX-UHFFFAOYSA-N"	FALSE	FALSE	1020	3	4
"105-16-8"	"DTXSID4026713"	"2-(Diethylamino)ethyl methacrylate"	"EPA_DSSTox"	"CC(=C)C(=O)OCCN(CC)CC"	"?"	"InChI=1S/C10H19NO2/c1-5-11(6-2)7-8-13-10(12)9(3)4/h3,5-8H2,1-2,4H3"	"SJIXRGNQPBQWMK-UHFFFAOYSA-N"	FALSE	TRUE	4696	3	5
"105-21-5"	"DTXSID5047611"	"1,4-Heptanolide"	"EPA_DSSTox"	"CCCC1CCC(=O)O1"	"?"	"InChI=1S/C7H12O2/c1-2-3-6-4-5-7(8)9-6/h6H,2-5H2,1H3"	"VLSVVMPLPMNWBH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"105-28-2"	"DTXSID0043769"	"2-Heptadecyl-2-imidazoline"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCC1NCCN=1"	"?"	"InChI=1S/C20H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h2-19H2,1H3,(H,21,22)"	"NCVGSSQICKMAIA-UHFFFAOYSA-N"	FALSE	TRUE	3170	3	5
"105-30-6"	"DTXSID9026714"	"2-Methyl-1-pentanol"	"EPA_DSSTox"	"CCCC(C)CO"	"?"	"InChI=1S/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3"	"PFNHSEQQEPMLNI-UHFFFAOYSA-N"	FALSE	FALSE	1410	3	4
"105-31-7"	"DTXSID4051536"	"Hex-1-yn-3-ol"	"EPA_DSSTox"	"CCCC(O)C#C"	"?"	"InChI=1S/C6H10O/c1-3-5-6(7)4-2/h2,6-7H,3,5H2,1H3"	"LTFTWJYRQNTCHI-UHFFFAOYSA-N"	FALSE	FALSE	126	2	3
"105-34-0"	"DTXSID8033649"	"Methyl cyanoacetate"	"EPA_DSSTox"	"COC(=O)CC#N"	"?"	"InChI=1S/C4H5NO2/c1-7-4(6)2-3-5/h2H2,1H3"	"ANGDWNBGPBMQHW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"105-37-3"	"DTXSID1040110"	"Ethyl propionate"	"EPA_DSSTox"	"CCC(=O)OCC"	"?"	"InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3"	"FKRCODPIKNYEAC-UHFFFAOYSA-N"	FALSE	TRUE	8732	4	5
"105-45-3"	"DTXSID9026716"	"Methyl acetoacetate"	"EPA_DSSTox"	"CC(=O)CC(=O)OC"	"?"	"InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3"	"WRQNANDWMGAFTP-UHFFFAOYSA-N"	FALSE	TRUE	2580	3	5
"105-46-4"	"DTXSID0047612"	"Butan-2-yl acetate"	"EPA_DSSTox"	"CCC(C)OC(C)=O"	"?"	"InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3"	"DCKVNWZUADLDEH-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"105-54-4"	"DTXSID6040111"	"Ethyl butyrate"	"EPA_DSSTox"	"CCOC(=O)CCC"	"?"	"InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3"	"OBNCKNCVKJNDBV-UHFFFAOYSA-N"	FALSE	TRUE	13000	4	5
"105-55-5"	"DTXSID8020466"	"N,N'-Diethylthiourea"	"EPA_DSSTox"	"CCNC(=S)NCC"	"?"	"InChI=1S/C5H12N2S/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)"	"FLVIGYVXZHLUHP-UHFFFAOYSA-N"	FALSE	FALSE	316	2	4
"105-56-6"	"DTXSID9026718"	"Ethyl cyanoacetate"	"EPA_DSSTox"	"CCOC(=O)CC#N"	"?"	"InChI=1S/C5H7NO2/c1-2-8-5(7)3-4-6/h2-3H2,1H3"	"ZIUSEGSNTOUIPT-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"105-57-7"	"DTXSID6030607"	"Acetal"	"EPA_DSSTox"	"CC(OCC)OCC"	"?"	"InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3"	"DHKHKXVYLBGOIT-UHFFFAOYSA-N"	FALSE	TRUE	4600	3	5
"105-64-6"	"DTXSID3026722"	"Peroxydicarbonic acid, bis(1-methylethyl) ester"	"EPA_DSSTox"	"CC(C)OC(=O)OOC(=O)OC(C)C"	"?"	"InChI=1S/C8H14O6/c1-5(2)11-7(9)13-14-8(10)12-6(3)4/h5-6H,1-4H3"	"BWJUFXUULUEGMA-UHFFFAOYSA-N"	FALSE	TRUE	2140	3	5
"105-66-8"	"DTXSID6059318"	"Butanoic acid, propyl ester"	"EPA_DSSTox"	"CCCOC(=O)CCC"	"?"	"InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3"	"HUAZGNHGCJGYNP-UHFFFAOYSA-N"	FALSE	TRUE	15000	4	5
"105-67-9"	"DTXSID2021864"	"2,4-Dimethylphenol"	"EPA_DSSTox"	"CC1=CC(C)=C(O)C=C1"	"?"	"InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3"	"KUFFULVDNCHOFZ-UHFFFAOYSA-N"	FALSE	TRUE	2300	3	5
"105-75-9"	"DTXSID7021865"	"Dibutyl (2E)-but-2-enedioate"	"EPA_DSSTox"	"CCCCOC(=O)C=CC(=O)OCCCC"	"?"	"InChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3"	"JBSLOWBPDRZSMB-UHFFFAOYSA-N"	FALSE	TRUE	8530	4	5
"105-76-0"	"DTXSID3026724"	"Dibutyl maleate"	"EPA_DSSTox"	"CCCCOC(=O)C=CC(=O)OCCCC"	"?"	"InChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3"	"JBSLOWBPDRZSMB-UHFFFAOYSA-N"	FALSE	TRUE	3700	3	5
"105-82-8"	"DTXSID5059325"	"Propane, 1,1'-[ethylidenebis(oxy)]bis-"	"EPA_DSSTox"	"CC(OCCC)OCCC"	"?"	"InChI=1S/C8H18O2/c1-4-6-9-8(3)10-7-5-2/h8H,4-7H2,1-3H3"	"MISTZQJSHHTDCF-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"105-85-1"	"DTXSID1044772"	"3,7-Dimethyloct-6-en-1-yl formate"	"EPA_DSSTox"	"CC(CCC=C(C)C)CCOC=O"	"?"	"InChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9,11H,4,6-8H2,1-3H3"	"DZNVIZQPWLDQHI-UHFFFAOYSA-N"	FALSE	TRUE	8400	4	5
"105-86-2"	"DTXSID0047614"	"(2E)-3,7-Dimethylocta-2,6-dien-1-yl formate"	"EPA_DSSTox"	"CC(C)=CCCC(C)=CCOC=O"	"?"	"InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3"	"FQMZVFJYMPNUCT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"105-87-3"	"DTXSID0020654"	"Geranyl acetate"	"EPA_DSSTox"	"CC(C)=CCCC(C)=CCOC(C)=O"	"?"	"InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3"	"HIGQPQRQIQDZMP-UHFFFAOYSA-N"	FALSE	TRUE	6330	4	5
"105-90-8"	"DTXSID8051540"	"Geranyl propionate"	"EPA_DSSTox"	"CC(C)=CCCC(C)=CCOC(=O)CC"	"?"	"InChI=1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3"	"BYCHQEILESTMQU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"105-91-9"	"DTXSID90883167"	"Neryl propionate"	"EPA_DSSTox"	"CC(C)=CCCC(C)=CCOC(=O)CC"	"?"	"InChI=1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3"	"BYCHQEILESTMQU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1050-48-2"	"DTXSID1057612"	"Benzilonium bromide"	"EPA_DSSTox"	"CC[N+]1(CC(CC1)OC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1)CC"	"[Br-]"	"InChI=1S/C22H28NO3/c1-3-23(4-2)16-15-20(17-23)26-21(24)22(25,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20,25H,3-4,15-17H2,1-2H3/q+1"	"ZKCWITXZGWUJAV-UHFFFAOYSA-N"	FALSE	FALSE	760	3	4
"10508-09-5"	"DTXSID9051533"	"Bis(2-methylbutan-2-yl) peroxide"	"EPA_DSSTox"	"CC(C)(CC)OOC(C)(C)CC"	"?"	"InChI=1S/C10H22O2/c1-7-9(3,4)11-12-10(5,6)8-2/h7-8H2,1-6H3"	"JJRDRFZYKKFYMO-UHFFFAOYSA-N"	FALSE	FALSE	1700	3	4
"105084-66-0"	"DTXSID60146938"	"Phosglycin"	"EPA_DSSTox"	"CCCN(CCC)C(=O)CN(CC)P(=S)(OCC)OCC"	"?"	"InChI=1S/C14H31N2O3PS/c1-6-11-15(12-7-2)14(17)13-16(8-3)20(21,18-9-4)19-10-5/h6-13H2,1-5H3"	"CGNIOVDMKMGGSL-UHFFFAOYSA-N"	FALSE	TRUE	2081	3	5
"105112-76-3"	"DTXSID70668237"	"3,3'-[[3,4-Dihydro-1,1'-biphenyl]-4,4-diylbis(oxy)]dianiline"	"EPA_DSSTox"	"NC1=CC(=CC=C1)OC1(CC=C(C=C1)C1C=CC=CC=1)OC1C=C(N)C=CC=1"	"?"	"InChI=1S/C24H22N2O2/c25-20-8-4-10-22(16-20)27-24(28-23-11-5-9-21(26)17-23)14-12-19(13-15-24)18-6-2-1-3-7-18/h1-14,16-17H,15,25-26H2"	"HIOSIQSHOMBNDE-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"10519-11-6"	"DTXSID4051534"	"Decahydro-2-naphthyl acetate"	"EPA_DSSTox"	"CC(=O)OC1CC2CCCCC2CC1"	"?"	"InChI=1S/C12H20O2/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h10-12H,2-8H2,1H3"	"XKCLIPLFEJSOAT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"10520-81-7"	"DTXSID60884484"	"Tetradecanoic acid, 2-bromo-"	"EPA_DSSTox"	"CCCCCCCCCCCCC(Br)C(O)=O"	"?"	"InChI=1S/C14H27BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13H,2-12H2,1H3,(H,16,17)"	"GBBKJNDQLLKTCX-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"105239-91-6"	"DTXSID80147023"	"Cefclidin"	"EPA_DSSTox"	"CON=C(C1=NSC(N)=N1)C(=O)NC1C2SCC(C[N+]34CCC(CC3)(CC4)C(N)=O)=C(C(O)=O)N2C1=O"	"?"	"InChI=1S/C21H26N8O6S2/c1-35-26-11(14-25-20(23)37-27-14)15(30)24-12-16(31)28-13(18(32)33)10(9-36-17(12)28)8-29-5-2-21(3-6-29,4-7-29)19(22)34/h12,17H,2-9H2,1H3,(H5-,22,23,24,25,27,30,32,33,34)/p+1"	"JUVHVMCKLDZLGN-UHFFFAOYSA-O"	FALSE	TRUE	NA	4	5
"10537-47-0"	"DTXSID1042106"	"Malonoben"	"EPA_DSSTox"	"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C#N"	"?"	"InChI=1S/C18H22N2O/c1-17(2,3)14-8-12(7-13(10-19)11-20)9-15(16(14)21)18(4,5)6/h7-9,21H,1-6H3"	"MZOPWQKISXCCTP-UHFFFAOYSA-N"	FALSE	FALSE	87	2	3
"105419-52-1"	NA	NA	"Public_CrossChecked"	"NC(=O)CCN1CCN(CC1)C1CC2C=C(Cl)C=CC=2SC2C=C(F)C=CC=21"	"C(=C/C(=O)O)\C(=O)O"	"InChI=1S/C21H23ClFN3OS/c22-15-1-4-19-14(11-15)12-18(17-3-2-16(23)13-20(17)28-19)26-9-7-25(8-10-26)6-5-21(24)27/h1-4,11,13,18H,5-10,12H2,(H2,24,27)"	"YTRZDTTZCDSVOR-UHFFFAOYSA-N"	FALSE	FALSE	490	2	4
"105426-99-1"	NA	NA	"Public_CrossChecked"	"CC12CCC3C(CCC4C=C(C=CC=43)OC(=O)C3C=CC=CC=3)C1CCC2OC(=O)COC(=O)CCCC1C=CC(=CC=1)NCCCl"	"?"	"InChI=1S/C39H44ClNO6/c1-39-21-20-32-31-17-15-30(46-38(44)27-7-3-2-4-8-27)24-28(31)12-16-33(32)34(39)18-19-35(39)47-37(43)25-45-36(42)9-5-6-26-10-13-29(14-11-26)41-23-22-40/h2-4,7-8,10-11,13-15,17,24,32-35,41H,5-6,9,12,16,18-23,25H2,1H3"	"JAGNOEAYHUNZEL-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"10543-57-4"	"DTXSID5040752"	"Tetraacetylethylenediamine"	"EPA_DSSTox"	"CC(=O)N(CCN(C(C)=O)C(C)=O)C(C)=O"	"?"	"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"	FALSE	TRUE	7940	4	5
"10543-95-0"	"DTXSID80147129"	"2-Propanone, hexafluoro-, hydrate"	"EPA_DSSTox"	"O=C(C(F)(F)F)C(F)(F)F"	"O"	"InChI=1S/C3F6O/c4-2(5,6)1(10)3(7,8)9"	"VBZWSGALLODQNC-UHFFFAOYSA-N"	FALSE	FALSE	190	2	3
"105435-14-1"	NA	NA	"Public_CrossChecked"	"CC1N=C(CCl)C(C(C=1C(=O)OCC)C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCC"	"?"	"InChI=1S/C19H21ClN2O6/c1-4-27-18(23)15-11(3)21-14(10-20)17(19(24)28-5-2)16(15)12-7-6-8-13(9-12)22(25)26/h6-9,16-17H,4-5,10H2,1-3H3"	"LWOGUBXMZNNRGS-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"10544-63-5"	"DTXSID8065119"	"2-Butenoic acid, ethyl ester"	"EPA_DSSTox"	"CC=CC(=O)OCC"	"?"	"InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3"	"ZFDIRQKJPRINOQ-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"105512-06-9"	"DTXSID6032354"	"Clodinafop-propargyl"	"EPA_DSSTox"	"CC(OC1C=CC(=CC=1)OC1=NC=C(Cl)C=C1F)C(=O)OCC#C"	"?"	"InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3"	"JBDHZKLJNAIJNC-UHFFFAOYSA-N"	FALSE	TRUE	2231	3	5
"10552-74-6"	"DTXSID5037579"	"Nitrothal-isopropyl"	"EPA_DSSTox"	"CC(C)OC(=O)C1C=C(C=C(C=1)C(=O)OC(C)C)[N+]([O-])=O"	"?"	"InChI=1S/C14H17NO6/c1-8(2)20-13(16)10-5-11(14(17)21-9(3)4)7-12(6-10)15(18)19/h5-9H,1-4H3"	"VJAWBEFMCIINFU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"10563-26-5"	"DTXSID2065127"	"1,3-Propanediamine, N,N''-1,2-ethanediylbis-"	"EPA_DSSTox"	"NCCCNCCNCCCN"	"?"	"InChI=1S/C8H22N4/c9-3-1-5-11-7-8-12-6-2-4-10/h11-12H,1-10H2"	"RXFCIXRFAJRBSG-UHFFFAOYSA-N"	FALSE	FALSE	1200	3	4
"10563-29-8"	"DTXSID2033445"	"Dimethyldipropylenetriamine"	"EPA_DSSTox"	"CN(C)CCCNCCCN"	"?"	"InChI=1S/C8H21N3/c1-11(2)8-4-7-10-6-3-5-9/h10H,3-9H2,1-2H3"	"OMKZWUPRGQMQJC-UHFFFAOYSA-N"	FALSE	FALSE	1545	3	4
"10563-70-9"	"DTXSID7046835"	"Melitracen hydrochloride"	"EPA_DSSTox"	"CN(C)CCC=C1C2C=CC=CC=2C(C)(C)C2C=CC=CC=21"	"Cl"	"InChI=1S/C21H25N/c1-21(2)19-13-7-5-10-17(19)16(12-9-15-22(3)4)18-11-6-8-14-20(18)21/h5-8,10-14H,9,15H2,1-4H3"	"GWWLWDURRGNSRS-UHFFFAOYSA-N"	FALSE	FALSE	170	2	3
"1057-81-4"	NA	NA	"Public_CrossChecked"	"CN1CCC(CC1)OC1C2=CC=CC=C2CCC2C=CC=CC=21"	"C(=C/C(=O)O)/C(=O)O"	"InChI=1S/C21H25NO/c1-22-14-12-18(13-15-22)23-21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-9,18,21H,10-15H2,1H3"	"MNIZCABHARMLFF-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"105770-83-0"	"DTXSID60147324"	"1H-Benzimidazole, 5-(phenylmethyl)-2-(2-propenylthio)-, monohydrochloride"	"EPA_DSSTox"	"C=CCSC1NC2C=C(CC3C=CC=CC=3)C=CC=2N=1"	"Cl"	"InChI=1S/C17H16N2S/c1-2-10-20-17-18-15-9-8-14(12-16(15)19-17)11-13-6-4-3-5-7-13/h2-9,12H,1,10-11H2,(H,18,19)"	"CJQICPPSQVDBGI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"105774-14-9"	"DTXSID20147325"	"Carbamic acid, (10,11-dihydro-5-(3-(4-(2-hydroxyethyl)-1-piperazinyl)-1-oxopropyl)-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride"	"EPA_DSSTox"	"CCOC(=O)NC1=CC2=C(CCC3C=CC=CC=3N2C(=O)CCN2CCN(CCO)CC2)C=C1"	"Cl"	"InChI=1S/C26H34N4O4/c1-2-34-26(33)27-22-10-9-21-8-7-20-5-3-4-6-23(20)30(24(21)19-22)25(32)11-12-28-13-15-29(16-14-28)17-18-31/h3-6,9-10,19,31H,2,7-8,11-18H2,1H3,(H,27,33)"	"QRTACKCQMQQSMJ-UHFFFAOYSA-N"	FALSE	FALSE	147	2	3
"105779-78-0"	"DTXSID9057925"	"Pyrimidifen"	"EPA_DSSTox"	"CC1C(=CC=C(CCOCC)C=1C)OCC/N=C1/NC=NC(CC)=C/1Cl"	"?"	"InChI=1S/C20H28ClN3O2/c1-5-17-19(21)20(24-13-23-17)22-10-12-26-18-8-7-16(9-11-25-6-2)14(3)15(18)4/h7-8,13H,5-6,9-12H2,1-4H3,(H,22,23,24)"	"ITKAIUGKVKDENI-UHFFFAOYSA-N"	FALSE	FALSE	115	2	3
"10589-74-9"	"DTXSID4020084"	"1-Amyl-1-nitrosourea"	"EPA_DSSTox"	"CCCCCN(N=O)C(N)=O"	"?"	"InChI=1S/C6H13N3O2/c1-2-3-4-5-9(8-11)6(7)10/h2-5H2,1H3,(H2,7,10)"	"YYTNAQDGJQPZFU-UHFFFAOYSA-N"	FALSE	FALSE	560	3	4
"10595-95-6"	"DTXSID6021036"	"N-Nitroso-N-methylethylamine"	"EPA_DSSTox"	"CCN(C)N=O"	"?"	"InChI=1S/C3H8N2O/c1-3-5(2)4-6/h3H2,1-2H3"	"RTDCJKARQCRONF-UHFFFAOYSA-N"	FALSE	FALSE	90	2	3
"105951-93-7"	NA	NA	"Public_CrossChecked"	"CC1=NC(C)=C(C(C1C(O)=O)C1C=C(C=CC=1F)[N+]([O-])=O)C(=O)OC"	"?"	"InChI=1S/C16H15FN2O6/c1-7-12(15(20)21)14(13(8(2)18-7)16(22)25-3)10-6-9(19(23)24)4-5-11(10)17/h4-6,12,14H,1-3H3,(H,20,21)"	"FXXUATOTDFTJHR-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"106-02-5"	"DTXSID6044359"	"Pentadecan-15-olide"	"EPA_DSSTox"	"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"	FALSE	TRUE	NA	4	5
"106-11-6"	"DTXSID4041862"	"Diethylene glycol monostearate"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCC(=O)OCCOCCO"	"?"	"InChI=1S/C22H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)26-21-20-25-19-18-23/h23H,2-21H2,1H3"	"PWVUXRBUUYZMKM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"106-20-7"	"DTXSID7025053"	"2,2'-Diethylhexylamine"	"EPA_DSSTox"	"CCCCC(CNCC(CCCC)CC)CC"	"?"	"InChI=1S/C16H35N/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h15-17H,5-14H2,1-4H3"	"SAIKULLUBZKPDA-UHFFFAOYSA-N"	FALSE	FALSE	1640	3	4
"106-21-8"	"DTXSID5044360"	"3,7-Dimethyloctan-1-ol"	"EPA_DSSTox"	"CC(C)CCCC(C)CCO"	"?"	"InChI=1S/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3"	"PRNCMAKCNVRZFX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"106-24-1"	"DTXSID8026727"	"Geraniol"	"EPA_DSSTox"	"CC(C)=CCCC(C)=CCO"	"?"	"InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3"	"GLZPCOQZEFWAFX-UHFFFAOYSA-N"	FALSE	TRUE	3600	3	5
"106-25-2"	"DTXSID3026728"	"(2Z)-3,7-Dimethylocta-2,6-dien-1-ol"	"EPA_DSSTox"	"CC(C)=CCCC(C)=CCO"	"?"	"InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3"	"GLZPCOQZEFWAFX-UHFFFAOYSA-N"	FALSE	TRUE	4500	3	5
"106-29-6"	"DTXSID1047152"	"Geranyl butyrate"	"EPA_DSSTox"	"CC(C)=CCCC(C)=CCOC(=O)CCC"	"?"	"InChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3"	"ZSBOMYJPSRFZAL-UHFFFAOYSA-N"	FALSE	TRUE	10660	4	5
"106-30-9"	"DTXSID1040112"	"Ethyl heptanoate"	"EPA_DSSTox"	"CCCCCCC(=O)OCC"	"?"	"InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3"	"TVQGDYNRXLTQAP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"106-31-0"	"DTXSID8026729"	"Butanoic anhydride"	"EPA_DSSTox"	"CCCC(=O)OC(=O)CCC"	"?"	"InChI=1S/C8H14O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H2,1-2H3"	"YHASWHZGWUONAO-UHFFFAOYSA-N"	FALSE	TRUE	8790	4	5
"106-32-1"	"DTXSID8051542"	"Ethyl octanoate"	"EPA_DSSTox"	"CCCCCCCC(=O)OCC"	"?"	"InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3"	"YYZUSRORWSJGET-UHFFFAOYSA-N"	FALSE	TRUE	25960	4	5
"106-35-4"	"DTXSID2047438"	"3-Heptanone"	"EPA_DSSTox"	"CCCCC(=O)CC"	"?"	"InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3"	"NGAZZOYFWWSOGK-UHFFFAOYSA-N"	FALSE	TRUE	2760	3	5
"106-43-4"	"DTXSID8024814"	"4-Chlorotoluene"	"EPA_DSSTox"	"CC1=CC=C(Cl)C=C1"	"?"	"InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3"	"NPDACUSDTOMAMK-UHFFFAOYSA-N"	FALSE	TRUE	2100	3	5
"106-46-7"	"DTXSID1020431"	"1,4-Dichlorobenzene"	"EPA_DSSTox"	"ClC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H"	"OCJBOOLMMGQPQU-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"106-47-8"	"DTXSID9020295"	"4-Chloroaniline"	"EPA_DSSTox"	"NC1=CC=C(Cl)C=C1"	"?"	"InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2"	"QSNSCYSYFYORTR-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"106-48-9"	"DTXSID1021871"	"4-Chlorophenol"	"EPA_DSSTox"	"OC1=CC=C(Cl)C=C1"	"?"	"InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H"	"WXNZTHHGJRFXKQ-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"106-49-0"	"DTXSID6021872"	"4-Methylaniline"	"EPA_DSSTox"	"CC1=CC=C(N)C=C1"	"?"	"InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3"	"RZXMPPFPUUCRFN-UHFFFAOYSA-N"	FALSE	FALSE	336	2	4
"106-51-4"	"DTXSID6020145"	"1,4-Benzoquinone"	"EPA_DSSTox"	"O=C1C=CC(=O)C=C1"	"?"	"InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H"	"AZQWKYJCGOJGHM-UHFFFAOYSA-N"	TRUE	FALSE	5.6	1	2
"106-55-8"	"DTXSID70861721"	"Piperazine, 2,5-dimethyl-"	"EPA_DSSTox"	"CC1CNC(C)CN1"	"?"	"InChI=1S/C6H14N2/c1-5-3-8-6(2)4-7-5/h5-8H,3-4H2,1-2H3"	"NSMWYRLQHIXVAP-UHFFFAOYSA-N"	FALSE	TRUE	3160	3	5
"106-63-8"	"DTXSID1021873"	"Isobutyl acrylate"	"EPA_DSSTox"	"CC(C)COC(=O)C=C"	"?"	"InChI=1S/C7H12O2/c1-4-7(8)9-5-6(2)3/h4,6H,1,5H2,2-3H3"	"CFVWNXQPGQOHRJ-UHFFFAOYSA-N"	FALSE	TRUE	4895	3	5
"106-65-0"	"DTXSID5025152"	"Dimethyl succinate"	"EPA_DSSTox"	"COC(=O)CCC(=O)OC"	"?"	"InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3"	"MUXOBHXGJLMRAB-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"106-68-3"	"DTXSID3041954"	"3-Octanone"	"EPA_DSSTox"	"CCCCCC(=O)CC"	"?"	"InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3"	"RHLVCLIPMVJYKS-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"106-69-4"	"DTXSID0041224"	"1,2,6-Hexanetriol"	"EPA_DSSTox"	"OCCCCC(O)CO"	"?"	"InChI=1S/C6H14O3/c7-4-2-1-3-6(9)5-8/h6-9H,1-5H2"	"ZWVMLYRJXORSEP-UHFFFAOYSA-N"	FALSE	TRUE	15500	4	5
"106-71-8"	"DTXSID1044776"	"2-Cyanoethyl prop-2-enoate"	"EPA_DSSTox"	"C=CC(=O)OCCC#N"	"?"	"InChI=1S/C6H7NO2/c1-2-6(8)9-5-3-4-7/h2H,1,3,5H2"	"AEPWOCLBLLCOGZ-UHFFFAOYSA-N"	FALSE	FALSE	180	2	3
"106-73-0"	"DTXSID3059345"	"Methyl heptanoate"	"EPA_DSSTox"	"CCCCCCC(=O)OC"	"?"	"InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3"	"XNCNNDVCAUWAIT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"106-74-1"	"DTXSID3051545"	"2-Ethoxyethyl acrylate"	"EPA_DSSTox"	"CCOCCOC(=O)C=C"	"?"	"InChI=1S/C7H12O3/c1-3-7(8)10-6-5-9-4-2/h3H,1,4-6H2,2H3"	"FWWXYLGCHHIKNY-UHFFFAOYSA-N"	FALSE	FALSE	1070	3	4
"106-79-6"	"DTXSID1026740"	"Dimethyl decanedioate"	"EPA_DSSTox"	"COC(=O)CCCCCCCCC(=O)OC"	"?"	"InChI=1S/C12H22O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3-10H2,1-2H3"	"ALOUNLDAKADEEB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"106-87-6"	"DTXSID0020604"	"4-Vinyl-1-cyclohexene dioxide"	"EPA_DSSTox"	"C1C2OC2CCC1C1CO1"	"?"	"InChI=1S/C8H12O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h5-8H,1-4H2"	"OECTYKWYRCHAKR-UHFFFAOYSA-N"	FALSE	TRUE	2130	3	5
"106-88-7"	"DTXSID6020569"	"1,2-Epoxybutane"	"EPA_DSSTox"	"CCC1CO1"	"?"	"InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3"	"RBACIKXCRWGCBB-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"106-89-8"	"DTXSID1020566"	"Epichlorohydrin"	"EPA_DSSTox"	"ClCC1CO1"	"?"	"InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2"	"BRLQWZUYTZBJKN-UHFFFAOYSA-N"	FALSE	FALSE	65	2	3
"106-90-1"	"DTXSID5025360"	"Glycidyl acrylate"	"EPA_DSSTox"	"C=CC(=O)OCC1CO1"	"?"	"InChI=1S/C6H8O3/c1-2-6(7)9-4-5-3-8-5/h2,5H,1,3-4H2"	"RPQRDASANLAFCM-UHFFFAOYSA-N"	FALSE	FALSE	150	2	3
"106-92-3"	"DTXSID9039232"	"Allyl glycidyl ether"	"EPA_DSSTox"	"C=CCOCC1CO1"	"?"	"InChI=1S/C6H10O2/c1-2-3-7-4-6-5-8-6/h2,6H,1,3-5H2"	"LSWYGACWGAICNM-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"106-93-4"	"DTXSID3020415"	"1,2-Dibromoethane"	"EPA_DSSTox"	"BrCCBr"	"?"	"InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2"	"PAAZPARNPHGIKF-UHFFFAOYSA-N"	FALSE	FALSE	93.5	2	3
"106-95-6"	"DTXSID8024442"	"Allyl bromide"	"EPA_DSSTox"	"C=CCBr"	"?"	"InChI=1S/C3H5Br/c1-2-3-4/h2H,1,3H2"	"BHELZAPQIKSEDF-UHFFFAOYSA-N"	FALSE	FALSE	120	2	3
"106-99-0"	"DTXSID3020203"	"1,3-Butadiene"	"EPA_DSSTox"	"C=CC=C"	"?"	"InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2"	"KAKZBPTYRLMSJV-UHFFFAOYSA-N"	FALSE	TRUE	5480	4	5
"106006-84-2"	"DTXSID00147469"	"Pramipexole propionamide"	"EPA_DSSTox"	"CCC(=O)NC1CC2SC(N)=NC=2CC1"	"?"	"InChI=1S/C10H15N3OS/c1-2-9(14)12-6-3-4-7-8(5-6)15-10(11)13-7/h6H,2-5H2,1H3,(H2,11,13)(H,12,14)"	"VVPFOYOFGUBZRY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"106017-08-7"	"DTXSID0045709"	"Rufloxacin hydrochloride"	"EPA_DSSTox"	"CN1CCN(CC1)C1=C(F)C=C2C3=C1SCCN3C=C(C(O)=O)C2=O"	"Cl"	"InChI=1S/C17H18FN3O3S/c1-19-2-4-20(5-3-19)14-12(18)8-10-13-16(14)25-7-6-21(13)9-11(15(10)22)17(23)24/h8-9H,2-7H2,1H3,(H,23,24)"	"NJCJBUHJQLFDSW-UHFFFAOYSA-N"	FALSE	FALSE	501	3	4
"10605-03-5"	NA	NA	"Public_CrossChecked"	"CC1C2C=CC(OC)=C(OC)C=2C=[N+]2CCC3C=C(OC)C(=CC=3C2=1)OC"	"?"	"InChI=1S/C22H24NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-12H,8-9H2,1-5H3/q+1"	"RFKQJTRWODZPHF-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"10605-21-7"	"DTXSID4024729"	"Carbendazim"	"EPA_DSSTox"	"COC(=O)NC1NC2C=CC=CC=2N=1"	"?"	"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"	FALSE	TRUE	6400	4	5
"106065-10-5"	NA	NA	"Public_CrossChecked"	"COCCCOCC(C)OCCCOC(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C17H26O5/c1-15(14-20-11-6-10-19-2)21-12-7-13-22-17(18)16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-14H2,1-2H3"	"BEVNMDIBCATXFZ-UHFFFAOYSA-N"	FALSE	TRUE	5480	4	5
"1062-48-2"	"DTXSID40147544"	"Piperazine, 1,4-bis(3,4,5-trimethoxybenzoyl)-"	"EPA_DSSTox"	"COC1C=C(C=C(OC)C=1OC)C(=O)N1CCN(CC1)C(=O)C1=CC(OC)=C(OC)C(=C1)OC"	"?"	"InChI=1S/C24H30N2O8/c1-29-17-11-15(12-18(30-2)21(17)33-5)23(27)25-7-9-26(10-8-25)24(28)16-13-19(31-3)22(34-6)20(14-16)32-4/h11-14H,7-10H2,1-6H3"	"RSMOCRIXTHPCBX-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"106231-36-1"	"DTXSID00878983"	"1,3-OXATHIOLAN-4-ONE, 5,5-DIMETHYL-, O-[(METHYLA"	"EPA_DSSTox"	"CN=C(O)ON=C1SCOC1(C)C"	"?"	"InChI=1S/C7H12N2O3S/c1-7(2)5(13-4-11-7)9-12-6(10)8-3/h4H2,1-3H3,(H,8,10)"	"JSHNTSCXNBASQJ-UHFFFAOYSA-N"	TRUE	FALSE	2	1	1
"106266-06-2"	"DTXSID8045193"	"Risperidone"	"EPA_DSSTox"	"CC1N=C2CCCCN2C(=O)C=1CCN1CCC(CC1)C1=NOC2C=C(F)C=CC=21"	"?"	"InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3"	"RAPZEAPATHNIPO-UHFFFAOYSA-N"	FALSE	FALSE	56.6	2	3
"106293-84-9"	"DTXSID30875687"	"1,3-OXATHIOLAN-4-ONE, 2,5-DIMETHYL-, O-[(METHYLA"	"EPA_DSSTox"	"CN=C(O)ON=C1SC(C)OC1C"	"?"	"InChI=1S/C7H12N2O3S/c1-4-6(13-5(2)11-4)9-12-7(10)8-3/h4-5H,1-3H3,(H,8,10)"	"OZSWKWWWOKBHLH-UHFFFAOYSA-N"	TRUE	FALSE	4.5	1	1
"106309-73-3"	"DTXSID40147569"	"Acetamide, N-(8-(4-(2-hydroxyethyl)-1-piperazinyl)-1,7-naphthyridin-6-yl)-"	"EPA_DSSTox"	"CC(=O)NC1=CC2=CC=CN=C2C(=N1)N1CCN(CCO)CC1"	"?"	"InChI=1S/C16H21N5O2/c1-12(23)18-14-11-13-3-2-4-17-15(13)16(19-14)21-7-5-20(6-8-21)9-10-22/h2-4,11,22H,5-10H2,1H3,(H,18,19,23)"	"CGMXVFABDHCYOC-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"106358-90-1"	NA	NA	"Public_CrossChecked"	"CNC(=O)ON=C1SCCOC1C"	"?"	"InChI=1S/C7H12N2O3S/c1-5-6(13-4-3-11-5)9-12-7(10)8-2/h5H,3-4H2,1-2H3,(H,8,10)"	"WUPFZGYQHXOTQH-UHFFFAOYSA-N"	TRUE	FALSE	6	1	2
"106358-91-2"	NA	NA	"Public_CrossChecked"	"CCC1OCCSC1=NOC(=O)NC"	"?"	"InChI=1S/C8H14N2O3S/c1-3-6-7(14-5-4-12-6)10-13-8(11)9-2/h6H,3-5H2,1-2H3,(H,9,11)"	"UGUFIYWETUMPFW-UHFFFAOYSA-N"	TRUE	FALSE	19	1	2
"106358-92-3"	NA	NA	"Public_CrossChecked"	"CC1(C)OCCSC1=NOC(=O)NC"	"?"	"InChI=1S/C8H14N2O3S/c1-8(2)6(14-5-4-12-8)10-13-7(11)9-3/h4-5H2,1-3H3,(H,9,11)"	"BHJWHKWBWVXLJR-UHFFFAOYSA-N"	TRUE	FALSE	0.6	1	1
"106461-41-0"	"DTXSID60403376"	"2-(Butan-2-yl)-4-{4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one"	"EPA_DSSTox"	"CCC(C)N1N=CN(C1=O)C1C=CC(=CC=1)N1CCN(CC1)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C22H27N5O2/c1-3-17(2)27-22(29)26(16-23-27)20-6-4-18(5-7-20)24-12-14-25(15-13-24)19-8-10-21(28)11-9-19/h4-11,16-17,28H,3,12-15H2,1-2H3"	"FFAQILVGBAELHN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"106463-17-6"	"DTXSID2046628"	"Tamsulosin hydrochloride"	"EPA_DSSTox"	"COC1=CC=C(CC(C)NCCOC2=CC=CC=C2OCC)C=C1S(N)(=O)=O"	"Cl"	"InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)"	"DRHKJLXJIQTDTD-UHFFFAOYSA-N"	FALSE	FALSE	650	3	4
"106565-71-3"	NA	NA	"Public_CrossChecked"	"N#CC1CCCC2OCC(C3C=CC=CC=3)N21"	"?"	"InChI=1S/C14H16N2O/c15-9-12-7-4-8-14-16(12)13(10-17-14)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-8,10H2"	"GQHMNZGZXHZLEN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"106691-40-1"	NA	NA	"Public_CrossChecked"	"O=C1NC2C=CC=CC=2SC1CC(=O)NC1=CC(Cl)=CC=C1"	"?"	"InChI=1S/C16H13ClN2O2S/c17-10-4-3-5-11(8-10)18-15(20)9-14-16(21)19-12-6-1-2-7-13(12)22-14/h1-8,14H,9H2,(H,18,20)(H,19,21)"	"WOZXXHLZWJDNPP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1067-25-0"	"DTXSID6042494"	"Trimethoxypropylsilane"	"EPA_DSSTox"	"CCC[Si](OC)(OC)OC"	"?"	"InChI=1S/C6H16O3Si/c1-5-6-10(7-2,8-3)9-4/h5-6H2,1-4H3"	"HQYALQRYBUJWDH-UHFFFAOYSA-N"	FALSE	TRUE	5170	4	5
"1067-47-6"	"DTXSID6061440"	"Butanenitrile, 4-(triethoxysilyl)-"	"EPA_DSSTox"	"CCO[Si](CCCC#N)(OCC)OCC"	"?"	"InChI=1S/C10H21NO3Si/c1-4-12-15(13-5-2,14-6-3)10-8-7-9-11/h4-8,10H2,1-3H3"	"VGIURMCNTDVGJM-UHFFFAOYSA-N"	FALSE	TRUE	4920	3	5
"1067-53-4"	"DTXSID5027356"	"Tris(2-methoxyethoxy)vinylsilane"	"EPA_DSSTox"	"COCCO[Si](C=C)(OCCOC)OCCOC"	"?"	"InChI=1S/C11H24O6Si/c1-5-18(15-9-6-12-2,16-10-7-13-3)17-11-8-14-4/h5H,1,6-11H2,2-4H3"	"WOXXJEVNDJOOLV-UHFFFAOYSA-N"	FALSE	TRUE	2960	3	5
"1067-99-8"	NA	NA	"Public_CrossChecked"	"C[Si](CCCC#N)(OCC)OCC"	"?"	"InChI=1S/C9H19NO2Si/c1-4-11-13(3,12-5-2)9-7-6-8-10/h4-7,9H2,1-3H3"	"PPDNYHIVHCJXAM-UHFFFAOYSA-N"	FALSE	TRUE	3730	3	5
"106700-29-2"	"DTXSID4057928"	"Pethoxamid"	"EPA_DSSTox"	"CC(C)=C(C1C=CC=CC=1)N(CCOCC)C(=O)CCl"	"?"	"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"	FALSE	FALSE	983	3	4
"106797-53-9"	"DTXSID6044777"	"2-Hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one"	"EPA_DSSTox"	"CC(C)(O)C(=O)C1C=CC(=CC=1)OCCO"	"?"	"InChI=1S/C12H16O4/c1-12(2,15)11(14)9-3-5-10(6-4-9)16-8-7-13/h3-6,13,15H,7-8H2,1-2H3"	"GJKGAPPUXSSCFI-UHFFFAOYSA-N"	FALSE	TRUE	4082	3	5
"1068-22-0"	"DTXSID1058688"	"Ammonium O,O-diethyl dithiophosphate"	"EPA_DSSTox"	"CCOP(S)(=S)OCC"	"[NH4+]"	"InChI=1S/C4H11O2PS2/c1-3-5-7(8,9)6-4-2/h3-4H2,1-2H3,(H,8,9)"	"IRDLUHRVLVEUHA-UHFFFAOYSA-N"	FALSE	TRUE	7900	4	5
"106900-12-3"	"DTXSID80883171"	"Loperamide oxide"	"EPA_DSSTox"	"CN(C)C(=O)C(CC[N+]1([O-])CCC(O)(CC1)C1C=CC(Cl)=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C29H33ClN2O3/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32(35)20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3"	"KXVSBTJVTUVNPM-UHFFFAOYSA-N"	FALSE	FALSE	172	2	3
"106904-09-0"	"DTXSID70558068"	"2-Chloro-4-(methanesulfonyl)-3-methylbenzoic acid"	"EPA_DSSTox"	"CC1C(Cl)=C(C=CC=1S(C)(=O)=O)C(O)=O"	"?"	"InChI=1S/C9H9ClO4S/c1-5-7(15(2,13)14)4-3-6(8(5)10)9(11)12/h3-4H,1-2H3,(H,11,12)"	"RRFGGUXLGOVPOP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"106917-52-6"	"DTXSID9057929"	"Flusulfamide"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC(Cl)=C(C=C1)NS(=O)(=O)C1C=C(C(Cl)=CC=1)C(F)(F)F"	"?"	"InChI=1S/C13H7Cl2F3N2O4S/c14-10-3-2-8(6-9(10)13(16,17)18)25(23,24)19-12-4-1-7(20(21)22)5-11(12)15/h1-6,19H"	"GNVDAZSPJWCIQZ-UHFFFAOYSA-N"	FALSE	FALSE	132	2	3
"106966-25-0"	"DTXSID00546498"	"2-(3-Methoxy-3-oxopropyl)-1,1,1-trimethylhydrazin-1-ium bromide"	"EPA_DSSTox"	"COC(=O)CCN[N+](C)(C)C"	"[Br-]"	"InChI=1S/C7H17N2O2/c1-9(2,3)8-6-5-7(10)11-4/h8H,5-6H2,1-4H3/q+1"	"UBIBSCGLWOVZDO-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"107-02-8"	"DTXSID5020023"	"Acrolein"	"EPA_DSSTox"	"C=CC=O"	"?"	"InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2"	"HGINCPLSRVDWNT-UHFFFAOYSA-N"	TRUE	FALSE	11.05	1	2
"107-03-9"	"DTXSID5026750"	"1-Propanethiol"	"EPA_DSSTox"	"CCCS"	"?"	"InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3"	"SUVIGLJNEAMWEG-UHFFFAOYSA-N"	FALSE	FALSE	1730	3	4
"107-06-2"	"DTXSID6020438"	"1,2-Dichloroethane"	"EPA_DSSTox"	"ClCCCl"	"?"	"InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2"	"WSLDOOZREJYCGB-UHFFFAOYSA-N"	FALSE	FALSE	670	3	4
"107-07-3"	"DTXSID1021877"	"2-Chloroethanol"	"EPA_DSSTox"	"OCCCl"	"?"	"InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2"	"SZIFAVKTNFCBPC-UHFFFAOYSA-N"	FALSE	FALSE	58	2	3
"107-10-8"	"DTXSID6021878"	"Propylamine"	"EPA_DSSTox"	"CCCN"	"?"	"InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3"	"WGYKZJWCGVVSQN-UHFFFAOYSA-N"	FALSE	FALSE	370	2	4
"107-12-0"	"DTXSID1021879"	"Propionitrile"	"EPA_DSSTox"	"CCC#N"	"?"	"InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3"	"FVSKHRXBFJPNKK-UHFFFAOYSA-N"	TRUE	FALSE	39	1	2
"107-13-1"	"DTXSID5020029"	"Acrylonitrile"	"EPA_DSSTox"	"C=CC#N"	"?"	"InChI=1S/C3H3N/c1-2-3-4/h2H,1H2"	"NLHHRLWOUZZQLW-UHFFFAOYSA-N"	FALSE	FALSE	78	2	3
"107-16-4"	"DTXSID3025417"	"Hydroxyacetonitrile"	"EPA_DSSTox"	"N#CCO"	"?"	"InChI=1S/C2H3NO/c3-1-2-4/h4H,2H2"	"LTYRAPJYLUPLCI-UHFFFAOYSA-N"	TRUE	FALSE	8	1	2
"107-18-6"	"DTXSID8020044"	"Allyl alcohol"	"EPA_DSSTox"	"C=CCO"	"?"	"InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2"	"XXROGKLTLUQVRX-UHFFFAOYSA-N"	FALSE	FALSE	64	2	3
"107-19-7"	"DTXSID5021883"	"Propargyl alcohol"	"EPA_DSSTox"	"C#CCO"	"?"	"InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2"	"TVDSBUOJIPERQY-UHFFFAOYSA-N"	TRUE	FALSE	20	1	2
"107-20-0"	"DTXSID4020292"	"Chloroacetaldehyde"	"EPA_DSSTox"	"O=CCCl"	"?"	"InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2"	"QSKPIOLLBIHNAC-UHFFFAOYSA-N"	TRUE	FALSE	23	1	2
"107-21-1"	"DTXSID8020597"	"Ethylene glycol"	"EPA_DSSTox"	"OCCO"	"?"	"InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2"	"LYCAIKOWRPUZTN-UHFFFAOYSA-N"	FALSE	TRUE	4700	3	5
"107-22-2"	"DTXSID5025364"	"Glyoxal"	"EPA_DSSTox"	"O=CC=O"	"?"	"InChI=1S/C2H2O2/c3-1-2-4/h1-2H"	"LEQAOMBKQFMDFZ-UHFFFAOYSA-N"	FALSE	FALSE	481	2	4
"107-25-5"	"DTXSID4026761"	"Methoxyethene"	"EPA_DSSTox"	"COC=C"	"?"	"InChI=1S/C3H6O/c1-3-4-2/h3H,1H2,2H3"	"XJRBAMWJDBPFIM-UHFFFAOYSA-N"	FALSE	TRUE	4900	3	5
"107-29-9"	"DTXSID2020004"	"Acetaldehyde oxime"	"EPA_DSSTox"	"CCN=O"	"?"	"InChI=1S/C2H5NO/c1-2-3-4/h2H2,1H3"	"IFYCAQIXDKZDTB-UHFFFAOYSA-N"	FALSE	FALSE	740	3	4
"107-30-2"	"DTXSID6020307"	"Chloromethyl methyl ether"	"EPA_DSSTox"	"COCCl"	"?"	"InChI=1S/C2H5ClO/c1-4-2-3/h2H2,1H3"	"XJUZRXYOEPSWMB-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"107-31-3"	"DTXSID5025609"	"Methyl formate"	"EPA_DSSTox"	"COC=O"	"?"	"InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3"	"TZIHFWKZFHZASV-UHFFFAOYSA-N"	FALSE	FALSE	475	2	4
"107-41-5"	"DTXSID5021885"	"2-Methyl-2,4-pentanediol"	"EPA_DSSTox"	"CC(O)CC(C)(C)O"	"?"	"InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3"	"SVTBMSDMJJWYQN-UHFFFAOYSA-N"	FALSE	TRUE	3700	3	5
"107-43-7"	"DTXSID8022666"	"Betaine"	"EPA_DSSTox"	"C[N+](C)(C)CC(O)=O"	"?"	"InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1"	"KWIUHFFTVRNATP-UHFFFAOYSA-O"	FALSE	TRUE	NA	4	5
"107-44-8"	"DTXSID0042371"	"Sarin"	"EPA_DSSTox"	"CC(C)OP(C)(=O)F"	"?"	"InChI=1S/C4H10FO2P/c1-4(2)7-8(3,5)6/h4H,1-3H3"	"DYAHQFWOVKZOOW-UHFFFAOYSA-N"	TRUE	FALSE	0.55	1	1
"107-45-9"	"DTXSID0021886"	"2,4,4-Trimethyl-2-pentanamine"	"EPA_DSSTox"	"CC(C)(C)CC(C)(C)N"	"?"	"InChI=1S/C8H19N/c1-7(2,3)6-8(4,5)9/h6,9H2,1-5H3"	"QIJIUJYANDSEKG-UHFFFAOYSA-N"	FALSE	FALSE	218	2	3
"107-46-0"	"DTXSID4026769"	"Hexamethyldisiloxane"	"EPA_DSSTox"	"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"	FALSE	TRUE	NA	4	5
"107-51-7"	"DTXSID9040710"	"Octamethyltrisiloxane"	"EPA_DSSTox"	"C[Si](C)(O[Si](C)(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"	FALSE	TRUE	NA	3	5
"107-64-2"	"DTXSID8026771"	"Dimethyldioctadecylammonium chloride"	"EPA_DSSTox"	"C[N+](C)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC"	"[Cl-]"	"InChI=1S/C38H80N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-38H2,1-4H3/q+1"	"OGQYPPBGSLZBEG-UHFFFAOYSA-N"	FALSE	TRUE	11300	4	5
"107-66-4"	"DTXSID3040728"	"Phosphoric acid, dibutyl ester"	"EPA_DSSTox"	"CCCCOP(O)(=O)OCCCC"	"?"	"InChI=1S/C8H19O4P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H,9,10)"	"JYFHYPJRHGVZDY-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"107-72-2"	"DTXSID70870454"	"Silane, trichloropentyl-"	"EPA_DSSTox"	"[SiH3]CCCCC(Cl)(Cl)Cl"	"?"	"InChI=1S/C5H11Cl3Si/c6-5(7,8)3-1-2-4-9/h1-4H2,9H3"	"PVJBCVHLABOJEX-UHFFFAOYSA-N"	FALSE	TRUE	2340	3	5
"107-74-4"	"DTXSID6044513"	"3,7-Dimethyloctane-1,7-diol"	"EPA_DSSTox"	"CC(CCO)CCCC(C)(C)O"	"?"	"InChI=1S/C10H22O2/c1-9(6-8-11)5-4-7-10(2,3)12/h9,11-12H,4-8H2,1-3H3"	"FPCCDPXRNNVUOM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"107-75-5"	"DTXSID6042232"	"7-Hydroxy-3,7-dimethyloctanal"	"EPA_DSSTox"	"CC(CC=O)CCCC(C)(C)O"	"?"	"InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3"	"WPFVBOQKRVRMJB-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"107-86-8"	"DTXSID8029606"	"3-Methylbut-2-enal"	"EPA_DSSTox"	"CC(C)=CC=O"	"?"	"InChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3"	"SEPQTYODOKLVSB-UHFFFAOYSA-N"	FALSE	FALSE	690	3	4
"107-89-1"	"DTXSID2050407"	"3-Hydroxybutanal"	"EPA_DSSTox"	"CC(O)CC=O"	"?"	"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3"	"HSJKGGMUJITCBW-UHFFFAOYSA-N"	FALSE	TRUE	2180	3	5
"107-91-5"	"DTXSID2051552"	"2-Cyanoacetamide"	"EPA_DSSTox"	"NC(=O)CC#N"	"?"	"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)"	"DGJMPUGMZIKDRO-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"1070-03-7"	"DTXSID8035184"	"2-Ethylhexyl dihydrogen phosphate"	"EPA_DSSTox"	"CCCCC(COP(O)(O)=O)CC"	"?"	"InChI=1S/C8H19O4P/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)"	"LJKDOMVGKKPJBH-UHFFFAOYSA-N"	FALSE	TRUE	3450	3	5
"1070-11-7"	"DTXSID4045345"	"Ethambutol dihydrochloride"	"EPA_DSSTox"	"CCC(CO)NCCNC(CO)CC"	"Cl.Cl"	"InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3"	"AEUTYOVWOVBAKS-UHFFFAOYSA-N"	FALSE	TRUE	6800	4	5
"1070-42-4"	"DTXSID00147863"	"Ethanol, 2-chloro-, phosphite (2:1)"	"EPA_DSSTox"	"OP(OCCCl)OCCCl"	"?"	"InChI=1S/C4H9Cl2O3P/c5-1-3-8-10(7)9-4-2-6/h7H,1-4H2"	"GGCXLVWDCPTFMN-UHFFFAOYSA-N"	FALSE	FALSE	260	2	3
"1070-70-8"	"DTXSID6044779"	"1,4-Butanediol diacrylate"	"EPA_DSSTox"	"C=CC(=O)OCCCCOC(=O)C=C"	"?"	"InChI=1S/C10H14O4/c1-3-9(11)13-7-5-6-8-14-10(12)4-2/h3-4H,1-2,5-8H2"	"JHWGFJBTMHEZME-UHFFFAOYSA-N"	FALSE	FALSE	587	3	4
"1070-78-6"	"DTXSID8051546"	"1,1,1,3-Tetrachloropropane"	"EPA_DSSTox"	"ClCCC(Cl)(Cl)Cl"	"?"	"InChI=1S/C3H4Cl4/c4-2-1-3(5,6)7/h1-2H2"	"UTACNSITJSJFHA-UHFFFAOYSA-N"	FALSE	FALSE	490	2	4
"107007-99-8"	"DTXSID7049057"	"Granisetron hydrochloride"	"EPA_DSSTox"	"CN1C2CC(CC1CCC2)NC(=O)C1=NN(C)C2C=CC=CC=21"	"Cl"	"InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)"	"MFWNKCLOYSRHCJ-UHFFFAOYSA-N"	FALSE	FALSE	350	2	4
"1071-22-3"	"DTXSID0042329"	"3-(Trichlorosilyl)propanenitrile"	"EPA_DSSTox"	"N#CCC[Si](Cl)(Cl)Cl"	"?"	"InChI=1S/C3H4Cl3NSi/c4-8(5,6)3-1-2-7/h1,3H2"	"OLBGECWYBGXCNV-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"1071-27-8"	"DTXSID5061455"	"Butanenitrile, 4-(trichlorosilyl)-"	"EPA_DSSTox"	"N#CCCC[Si](Cl)(Cl)Cl"	"?"	"InChI=1S/C4H6Cl3NSi/c5-9(6,7)4-2-1-3-8/h1-2,4H2"	"HMFFOEBLYHLRQN-UHFFFAOYSA-N"	FALSE	TRUE	2830	3	5
"1071-73-4"	"DTXSID30147917"	"Acetopropyl alcohol"	"EPA_DSSTox"	"CC(=O)CCCO"	"?"	"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h6H,2-4H2,1H3"	"JSHPTIGHEWEXRW-UHFFFAOYSA-N"	FALSE	TRUE	6400	4	5
"1071-83-6"	"DTXSID1024122"	"Glyphosate"	"EPA_DSSTox"	"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"	FALSE	TRUE	4873	3	5
"1071-93-8"	"DTXSID0044361"	"Hexanedihydrazide"	"EPA_DSSTox"	"NNC(=O)CCCCC(=O)NN"	"?"	"InChI=1S/C6H14N4O2/c7-9-5(11)3-1-2-4-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12)"	"IBVAQQYNSHJXBV-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1071-98-3"	"DTXSID50147919"	"Acetylenedicarbonitrile"	"EPA_DSSTox"	"N#CC#CC#N"	"?"	"InChI=1S/C4N2/c5-3-1-2-4-6"	"ZEHZNAXXOOYTJM-UHFFFAOYSA-N"	FALSE	FALSE	441	2	4
"107187-05-3"	"DTXSID7073773"	"Hydrazinecarboxaldehyde, 2-[4-(hexyloxy)phenyl]-"	"EPA_DSSTox"	"CCCCCCOC1C=CC(=CC=1)NNC=O"	"?"	"InChI=1S/C13H20N2O2/c1-2-3-4-5-10-17-13-8-6-12(7-9-13)15-14-11-16/h6-9,11,15H,2-5,10H2,1H3,(H,14,16)"	"YDDVYOZFHJAVBB-UHFFFAOYSA-N"	FALSE	FALSE	717	3	4
"1072-43-1"	"DTXSID90870835"	"Thiirane, 2-methyl-"	"EPA_DSSTox"	"CC1CS1"	"?"	"InChI=1S/C3H6S/c1-3-2-4-3/h3H,2H2,1H3"	"MBNVSWHUJDDZRH-UHFFFAOYSA-N"	FALSE	FALSE	254	2	3
"1072-52-2"	"DTXSID0024551"	"1-Aziridineethanol"	"EPA_DSSTox"	"OCCN1CC1"	"?"	"InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2"	"VYONOYYDEFODAJ-UHFFFAOYSA-N"	FALSE	FALSE	74	2	3
"107220-28-0"	"DTXSID10891421"	"Cevimeline hydrochloride"	"EPA_DSSTox"	"CC1OC2(CN3CCC2CC3)CS1"	"Cl"	"InChI=1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3"	"WUTYZMFRCNBCHQ-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"1073-79-6"	NA	NA	"Public_CrossChecked"	"CC1CC(=O)CC(C)O1"	"?"	"InChI=1S/C7H12O2/c1-5-3-7(8)4-6(2)9-5/h5-6H,3-4H2,1-2H3"	"FZXBJPDVINOGBR-UHFFFAOYSA-N"	FALSE	TRUE	3400	3	5
"1075-76-9"	"DTXSID8051548"	"3-Anilinopropionitrile"	"EPA_DSSTox"	"N#CCCNC1C=CC=CC=1"	"?"	"InChI=1S/C9H10N2/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6,11H,4,8H2"	"FENJKTQEFUPECW-UHFFFAOYSA-N"	FALSE	TRUE	4700	3	5
"107534-96-3"	"DTXSID9032113"	"Tebuconazole"	"EPA_DSSTox"	"CC(C)(C)C(O)(CN1C=NC=N1)CCC1C=CC(Cl)=CC=1"	"?"	"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"	FALSE	FALSE	1700	3	4
"107551-67-7"	"DTXSID20420180"	"3-(3-tert-Butyl-4-hydroxyphenyl)propanoic acid"	"EPA_DSSTox"	"CC(C)(C)C1=CC(CCC(O)=O)=CC=C1O"	"?"	"InChI=1S/C13H18O3/c1-13(2,3)10-8-9(4-6-11(10)14)5-7-12(15)16/h4,6,8,14H,5,7H2,1-3H3,(H,15,16)"	"FZQRSWHPNZTNQQ-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"1076-97-7"	"DTXSID2038788"	"1,4-Cyclohexanedicarboxylic acid"	"EPA_DSSTox"	"OC(=O)C1CCC(CC1)C(O)=O"	"?"	"InChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)"	"PXGZQGDTEZPERC-UHFFFAOYSA-N"	FALSE	FALSE	1903	3	4
"107707-39-1"	"DTXSID00148214"	"1-Piperazinecarboximidamide, N-(3,5-dichlorophenyl)-4-(2-methoxyphenyl)-, dihydrochloride"	"EPA_DSSTox"	"COC1C=CC=CC=1N1CCN(CC1)/C(/N)=N/C1C=C(Cl)C=C(Cl)C=1"	"Cl.Cl"	"InChI=1S/C18H20Cl2N4O/c1-25-17-5-3-2-4-16(17)23-6-8-24(9-7-23)18(21)22-15-11-13(19)10-14(20)12-15/h2-5,10-12H,6-9H2,1H3,(H2,21,22)"	"CTQJQDJECZVMQZ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"107707-55-1"	"DTXSID60148215"	"1-Piperazinecarboximidamide, N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-, dihydrochloride"	"EPA_DSSTox"	"COC1C=CC=CC=1N1CCN(CC1)/C(/N)=N/C1C=C(Cl)C(Cl)=CC=1"	"Cl.Cl"	"InChI=1S/C18H20Cl2N4O/c1-25-17-5-3-2-4-16(17)23-8-10-24(11-9-23)18(21)22-13-6-7-14(19)15(20)12-13/h2-7,12H,8-11H2,1H3,(H2,21,22)"	"IJEPCVKPPXQPBQ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"1078-19-9"	"DTXSID6057617"	"6-Methoxy-?1-?tetralone"	"EPA_DSSTox"	"COC1=CC2CCCC(=O)C=2C=C1"	"?"	"InChI=1S/C11H12O2/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12/h5-7H,2-4H2,1H3"	"MNALUTYMBUBKNX-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"107812-70-4"	NA	NA	"Public_CrossChecked"	"CC1N=C(C[P+](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)C(C(C=1C(=O)OCC)C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCC"	"[Cl-]"	"InChI=1S/C37H36N2O6P/c1-4-44-36(40)33-26(3)38-32(35(37(41)45-5-2)34(33)27-16-15-17-28(24-27)39(42)43)25-46(29-18-9-6-10-19-29,30-20-11-7-12-21-30)31-22-13-8-14-23-31/h6-24,34-35H,4-5,25H2,1-3H3/q+1"	"DVMMKGSKBYDTAM-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"1079-26-1"	NA	NA	"Public_CrossChecked"	"NC1C=C2C(=CC=1)NC1CCCCC=12"	"[Cl-]"	"InChI=1S/C12H14N2/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7,14H,1-4,13H2"	"POYRLWQLOUUKAY-UHFFFAOYSA-N"	FALSE	FALSE	374	2	4
"107934-68-9"	"DTXSID60619152"	"4,4'-(9H-Fluorene-9,9-diyl)bis(2-chloroaniline)"	"EPA_DSSTox"	"NC1C=CC(=CC=1Cl)C1(C2=CC=CC=C2C2=CC=CC=C12)C1C=C(Cl)C(N)=CC=1"	"?"	"InChI=1S/C25H18Cl2N2/c26-21-13-15(9-11-23(21)28)25(16-10-12-24(29)22(27)14-16)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14H,28-29H2"	"CIZUMWWHWPJAAK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"108-01-0"	"DTXSID2020505"	"Dimethylaminoethanol"	"EPA_DSSTox"	"CN(C)CCO"	"?"	"InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3"	"UEEJHVSXFDXPFK-UHFFFAOYSA-N"	FALSE	FALSE	1192.95	3	4
"108-11-2"	"DTXSID2026781"	"4-Methyl-2-pentanol"	"EPA_DSSTox"	"CC(C)CC(C)O"	"?"	"InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3"	"WVYWICLMDOOCFB-UHFFFAOYSA-N"	FALSE	TRUE	2590	3	5
"108-16-7"	"DTXSID5031210"	"Dimepranol"	"EPA_DSSTox"	"CC(O)CN(C)C"	"?"	"InChI=1S/C5H13NO/c1-5(7)4-6(2)3/h5,7H,4H2,1-3H3"	"NCXUNZWLEYGQAH-UHFFFAOYSA-N"	FALSE	FALSE	1739	3	4
"108-18-9"	"DTXSID9025085"	"Diisopropylamine"	"EPA_DSSTox"	"CC(C)NC(C)C"	"?"	"InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3"	"UAOMVDZJSHZZME-UHFFFAOYSA-N"	FALSE	FALSE	310	2	4
"108-20-3"	"DTXSID4021890"	"Isopropyl ether"	"EPA_DSSTox"	"CC(C)OC(C)C"	"?"	"InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3"	"ZAFNJMIOTHYJRJ-UHFFFAOYSA-N"	FALSE	TRUE	8470	4	5
"108-21-4"	"DTXSID2025478"	"Isopropyl acetate"	"EPA_DSSTox"	"CC(C)OC(C)=O"	"?"	"InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3"	"JMMWKPVZQRWMSS-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"108-23-6"	"DTXSID7026786"	"Isopropyl chloroformate"	"EPA_DSSTox"	"CC(C)OC(=O)Cl"	"?"	"InChI=1S/C4H7ClO2/c1-3(2)7-4(5)6/h3H,1-2H3"	"IVRIRQXJSNCSPQ-UHFFFAOYSA-N"	FALSE	FALSE	468.3	2	4
"108-24-7"	"DTXSID0024395"	"Acetic anhydride"	"EPA_DSSTox"	"CC(=O)OC(C)=O"	"?"	"InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3"	"WFDIJRYMOXRFFG-UHFFFAOYSA-N"	FALSE	FALSE	1780	3	4
"108-30-5"	"DTXSID7021287"	"Succinic anhydride"	"EPA_DSSTox"	"O=C1CCC(=O)O1"	"?"	"InChI=1S/C4H4O3/c5-3-1-2-4(6)7-3/h1-2H2"	"RINCXYDBBGOEEQ-UHFFFAOYSA-N"	FALSE	FALSE	1510	3	4
"108-31-6"	"DTXSID7024166"	"2,5-Furandione"	"EPA_DSSTox"	"O=C1C=CC(=O)O1"	"?"	"InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H"	"FPYJFEHAWHCUMM-UHFFFAOYSA-N"	FALSE	FALSE	317.5	2	4
"108-35-0"	"DTXSID8057932"	"Pyrazothion"	"EPA_DSSTox"	"CC1=CC(=NN1)OP(=S)(OCC)OCC"	"?"	"InChI=1S/C8H15N2O3PS/c1-4-11-14(15,12-5-2)13-8-6-7(3)9-10-8/h6H,4-5H2,1-3H3,(H,9,10)"	"NKADQNIAHIXOIZ-UHFFFAOYSA-N"	TRUE	FALSE	12	1	2
"108-38-3"	"DTXSID6026298"	"m-Xylene"	"EPA_DSSTox"	"CC1=CC(C)=CC=C1"	"?"	"InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3"	"IVSZLXZYQVIEFR-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"108-39-4"	"DTXSID6024200"	"m-Cresol"	"EPA_DSSTox"	"CC1C=C(O)C=CC=1"	"?"	"InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3"	"RLSSMJSEOOYNOY-UHFFFAOYSA-N"	FALSE	FALSE	242	2	3
"108-42-9"	"DTXSID0024761"	"3-Chloroaniline"	"EPA_DSSTox"	"NC1=CC(Cl)=CC=C1"	"?"	"InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2"	"PNPCRKVUWYDDST-UHFFFAOYSA-N"	FALSE	FALSE	256	2	3
"108-43-0"	"DTXSID4024800"	"3-Chlorophenol"	"EPA_DSSTox"	"OC1=CC(Cl)=CC=C1"	"?"	"InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H"	"HORNXRXVQWOLPJ-UHFFFAOYSA-N"	FALSE	FALSE	570	3	4
"108-44-1"	"DTXSID1026792"	"3-Methylaniline"	"EPA_DSSTox"	"CC1=CC(N)=CC=C1"	"?"	"InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3"	"JJYPMNFTHPTTDI-UHFFFAOYSA-N"	FALSE	FALSE	450	2	4
"108-45-2"	"DTXSID4021137"	"1,3-Benzenediamine"	"EPA_DSSTox"	"NC1=CC(N)=CC=C1"	"?"	"InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2"	"WZCQRUWWHSTZEM-UHFFFAOYSA-N"	FALSE	FALSE	280	2	3
"108-46-3"	"DTXSID2021238"	"Resorcinol"	"EPA_DSSTox"	"OC1=CC(O)=CC=C1"	"?"	"InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H"	"GHMLBKRAJCXXBS-UHFFFAOYSA-N"	FALSE	FALSE	301	2	4
"108-47-4"	"DTXSID2051556"	"2,4-Dimethylpyridine"	"EPA_DSSTox"	"CC1C=C(C)N=CC=1"	"?"	"InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3"	"JYYNAJVZFGKDEQ-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"108-50-9"	"DTXSID5047619"	"2,6-Dimethylpyrazine"	"EPA_DSSTox"	"CC1C=NC=C(C)N=1"	"?"	"InChI=1S/C6H8N2/c1-5-3-7-4-6(2)8-5/h3-4H,1-2H3"	"HJFZAYHYIWGLNL-UHFFFAOYSA-N"	FALSE	FALSE	880	3	4
"108-55-4"	"DTXSID5044362"	"Glutaric anhydride"	"EPA_DSSTox"	"O=C1CCCC(=O)O1"	"?"	"InChI=1S/C5H6O3/c6-4-2-1-3-5(7)8-4/h1-3H2"	"VANNPISTIUFMLH-UHFFFAOYSA-N"	FALSE	FALSE	540	3	4
"108-59-8"	"DTXSID4029145"	"Dimethyl malonate"	"EPA_DSSTox"	"COC(=O)CC(=O)OC"	"?"	"InChI=1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3"	"BEPAFCGSDWSTEL-UHFFFAOYSA-N"	FALSE	TRUE	5331	4	5
"108-60-1"	"DTXSID4020167"	"bis(2-Chloro-1-methylethyl) ether"	"EPA_DSSTox"	"CC(CCl)OC(C)CCl"	"?"	"InChI=1S/C6H12Cl2O/c1-5(3-7)9-6(2)4-8/h5-6H,3-4H2,1-2H3"	"QCFYJCYNJLBDRT-UHFFFAOYSA-N"	FALSE	FALSE	240	2	3
"108-62-3"	"DTXSID1034715"	"Metaldehyde acetaldehyde tetramer"	"EPA_DSSTox"	"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"	FALSE	FALSE	227	2	3
"108-65-6"	"DTXSID1026796"	"1-Methoxy-2-propyl acetate"	"EPA_DSSTox"	"COCC(C)OC(C)=O"	"?"	"InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3"	"LLHKCFNBLRBOGN-UHFFFAOYSA-N"	FALSE	TRUE	5155	4	5
"108-69-0"	"DTXSID8026309"	"3,5-Dimethylaniline"	"EPA_DSSTox"	"CC1=CC(N)=CC(C)=C1"	"?"	"InChI=1S/C8H11N/c1-6-3-7(2)5-8(9)4-6/h3-5H,9H2,1-2H3"	"MKARNSWMMBGSHX-UHFFFAOYSA-N"	FALSE	FALSE	707	3	4
"108-70-3"	"DTXSID8026195"	"1,3,5-Trichlorobenzene"	"EPA_DSSTox"	"ClC1C=C(Cl)C=C(Cl)C=1"	"?"	"InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H"	"XKEFYDZQGKAQCN-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"108-73-6"	"DTXSID9048354"	"1,3,5-Trihydroxybenzene"	"EPA_DSSTox"	"OC1C=C(O)C=C(O)C=1"	"?"	"InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H"	"QCDYQQDYXPDABM-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"108-75-8"	"DTXSID1051561"	"2,4,6-Trimethylpyridine"	"EPA_DSSTox"	"CC1C=C(C)C=C(C)N=1"	"?"	"InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3"	"BWZVCCNYKMEVEX-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"108-77-0"	"DTXSID6026799"	"2,4,6-Trichloro-s-triazine"	"EPA_DSSTox"	"ClC1N=C(Cl)N=C(Cl)N=1"	"?"	"InChI=1S/C3Cl3N3/c4-1-7-2(5)9-3(6)8-1"	"MGNCLNQXLYJVJD-UHFFFAOYSA-N"	FALSE	FALSE	315	2	4
"108-78-1"	"DTXSID6020802"	"Melamine"	"EPA_DSSTox"	"NC1N=C(N)N=C(N)N=1"	"?"	"InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)"	"JDSHMPZPIAZGSV-UHFFFAOYSA-N"	FALSE	TRUE	3160	3	5
"108-84-9"	"DTXSID6051562"	"1,3-Dimethylbutyl acetate"	"EPA_DSSTox"	"CC(C)CC(C)OC(C)=O"	"?"	"InChI=1S/C8H16O2/c1-6(2)5-7(3)10-8(4)9/h6-7H,5H2,1-4H3"	"CPIVYSAVIPTCCX-UHFFFAOYSA-N"	FALSE	TRUE	6160	4	5
"108-86-1"	"DTXSID5024637"	"Bromobenzene"	"EPA_DSSTox"	"BrC1C=CC=CC=1"	"?"	"InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H"	"QARVLSVVCXYDNA-UHFFFAOYSA-N"	FALSE	TRUE	2383	3	5
"108-88-3"	"DTXSID7021360"	"Toluene"	"EPA_DSSTox"	"CC1C=CC=CC=1"	"?"	"InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3"	"YXFVVABEGXRONW-UHFFFAOYSA-N"	FALSE	FALSE	636	3	4
"108-89-4"	"DTXSID4021892"	"4-Methylpyridine"	"EPA_DSSTox"	"CC1C=CN=CC=1"	"?"	"InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3"	"FKNQCJSGGFJEIZ-UHFFFAOYSA-N"	FALSE	FALSE	440	2	4
"108-90-7"	"DTXSID4020298"	"Chlorobenzene"	"EPA_DSSTox"	"ClC1C=CC=CC=1"	"?"	"InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H"	"MVPPADPHJFYWMZ-UHFFFAOYSA-N"	FALSE	FALSE	1110	3	4
"108-91-8"	"DTXSID1023996"	"Cyclohexylamine"	"EPA_DSSTox"	"NC1CCCCC1"	"?"	"InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2"	"PAFZNILMFXTMIY-UHFFFAOYSA-N"	TRUE	FALSE	11	1	2
"108-93-0"	"DTXSID4021894"	"Cyclohexanol"	"EPA_DSSTox"	"OC1CCCCC1"	"?"	"InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2"	"HPXRVTGHNJAIIH-UHFFFAOYSA-N"	FALSE	FALSE	1400	3	4
"108-95-2"	"DTXSID5021124"	"Phenol"	"EPA_DSSTox"	"OC1C=CC=CC=1"	"?"	"InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H"	"ISWSIDIOOBJBQZ-UHFFFAOYSA-N"	FALSE	FALSE	317	2	4
"108-98-5"	"DTXSID7026811"	"Benzenethiol"	"EPA_DSSTox"	"SC1C=CC=CC=1"	"?"	"InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H"	"RMVRSNDYEFQCLF-UHFFFAOYSA-N"	TRUE	FALSE	46	1	2
"108-99-6"	"DTXSID9021897"	"3-Methylpyridine"	"EPA_DSSTox"	"CC1C=NC=CC=1"	"?"	"InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3"	"ITQTTZVARXURQS-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"108001-60-1"	"DTXSID20148357"	"Troquidazole"	"EPA_DSSTox"	"N/C(=N\C1C2C=CC=CC=2N=CC=1[N+]([O-])=O)/N1CCOCC1"	"?"	"InChI=1S/C14H15N5O3/c15-14(18-5-7-22-8-6-18)17-13-10-3-1-2-4-11(10)16-9-12(13)19(20)21/h1-4,9H,5-8H2,(H2,15,16,17)"	"UUJSXEHRMRPYEX-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"108050-54-0"	"DTXSID5046011"	"Tilmicosin"	"EPA_DSSTox"	"CN(C)C1C(O)C(OC(C)C1O)OC1C(CC(C)C(=O)C=CC(C)=CC(COC2OC(C)C(O)C(OC)C2OC)C(CC)OC(=O)CC(O)C1C)CCN1CC(C)CC(C)C1"	"?"	"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"	"JTSDBFGMPLKDCD-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"1081-95-4"	"DTXSID30148409"	"ENT 27294"	"EPA_DSSTox"	"CC1(CSP(=O)(OCC)OCC)SCCS1"	"?"	"InChI=1S/C9H19O3PS3/c1-4-11-13(10,12-5-2)16-8-9(3)14-6-7-15-9/h4-8H2,1-3H3"	"APVJSTCJOJGSPI-UHFFFAOYSA-N"	TRUE	FALSE	28	1	2
"1083-57-4"	"DTXSID6020721"	"3-Hydroxy-4-butyrophenetidide"	"EPA_DSSTox"	"CCOC1C=CC(=CC=1)NC(=O)CC(C)O"	"?"	"InChI=1S/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7,9,14H,3,8H2,1-2H3,(H,13,15)"	"LIAWQASKBFCRNR-UHFFFAOYSA-N"	FALSE	TRUE	7000	4	5
"1084-23-7"	"DTXSID00148532"	"3-Indazolinone, 4,5,6,7-tetrahydro-1-methyl-2-phenyl-"	"EPA_DSSTox"	"CN1C2CCCCC=2C(=O)N1C1C=CC=CC=1"	"?"	"InChI=1S/C14H16N2O/c1-15-13-10-6-5-9-12(13)14(17)16(15)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3"	"DRMOBFBTSAFUGB-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"1084-65-7"	"DTXSID9045346"	"Meticrane"	"EPA_DSSTox"	"CC1=CC2CCCS(=O)(=O)C=2C=C1S(N)(=O)=O"	"?"	"InChI=1S/C10H13NO4S2/c1-7-5-8-3-2-4-16(12,13)10(8)6-9(7)17(11,14)15/h5-6H,2-4H2,1H3,(H2,11,14,15)"	"FNQQBFNIYODEMB-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"108419-32-5"	"DTXSID5029847"	"Acetic acid, C7-9-branched alkyl esters, C8-rich"	"EPA_DSSTox"	"CCC(C)C(C)CCOC(C)=O"	"?"	"InChI=1S/C10H20O2/c1-5-8(2)9(3)6-7-12-10(4)11/h8-9H,5-7H2,1-4H3"	"NCOFDUNMKGIVBQ-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"108427-72-1"	"DTXSID90148546"	"AS 35"	"EPA_DSSTox"	"CC(=O)C1C=CC(OCC2=CC=CN3C(=O)C(=CN=C32)C2=NNN=N2)=C(CCC)C=1O"	"?"	"InChI=1S/C21H20N6O4/c1-3-5-15-17(8-7-14(12(2)28)18(15)29)31-11-13-6-4-9-27-20(13)22-10-16(21(27)30)19-23-25-26-24-19/h4,6-10,29H,3,5,11H2,1-2H3,(H,23,24,25,26)"	"RVRGDCZGEKSIRW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1085-91-2"	"DTXSID40148576"	"Nafcaproic acid"	"EPA_DSSTox"	"CCC(CC)(C(O)=O)C1=CC=CC2C=CC=CC=21"	"?"	"InChI=1S/C16H18O2/c1-3-16(4-2,15(17)18)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3,(H,17,18)"	"NONNPKGLUCHFEW-UHFFFAOYSA-N"	FALSE	FALSE	1080	3	4
"1085-98-9"	"DTXSID5041851"	"Dichlofluanid"	"EPA_DSSTox"	"CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)C1C=CC=CC=1"	"?"	"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"	FALSE	FALSE	500	2	4
"108552-93-8"	"DTXSID50148587"	"Indazole, 3-((3-morpholinopropyl)amino)-"	"EPA_DSSTox"	"C(CCN1CCOCC1)NC1=NNC2C=CC=CC=21"	"?"	"InChI=1S/C14H20N4O/c1-2-5-13-12(4-1)14(17-16-13)15-6-3-7-18-8-10-19-11-9-18/h1-2,4-5H,3,6-11H2,(H2,15,16,17)"	"NIYFKJYEUPPINB-UHFFFAOYSA-N"	FALSE	FALSE	912	3	4
"1086-02-8"	"DTXSID7042358"	"Pyridinitril"	"EPA_DSSTox"	"N#CC1=C(C(C#N)=C(Cl)N=C1Cl)C1C=CC=CC=1"	"?"	"InChI=1S/C13H5Cl2N3/c14-12-9(6-16)11(8-4-2-1-3-5-8)10(7-17)13(15)18-12/h1-5H"	"OVZITGHGWBXFEA-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1087-06-5"	NA	NA	"Public_CrossChecked"	"COC1C=C(C=CC=1OCC(O)CO)C(=O)CC"	"?"	"InChI=1S/C13H18O5/c1-3-11(16)9-4-5-12(13(6-9)17-2)18-8-10(15)7-14/h4-6,10,14-15H,3,7-8H2,1-2H3"	"SUTGJZFFEVGULT-UHFFFAOYSA-N"	FALSE	FALSE	1637	3	4
"1087-35-0"	"DTXSID20148716"	"Acetic acid, phenyl-, 2-benzylhydrazide"	"EPA_DSSTox"	"O=C(CC1C=CC=CC=1)NNCC1C=CC=CC=1"	"?"	"InChI=1S/C15H16N2O/c18-15(11-13-7-3-1-4-8-13)17-16-12-14-9-5-2-6-10-14/h1-10,16H,11-12H2,(H,17,18)"	"DVAORCGVVIHETB-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"108731-70-0"	"DTXSID1034921"	"Fomesafen-sodium"	"EPA_DSSTox"	"CS(=O)(=O)NC(=O)C1C=C(C=CC=1[N+]([O-])=O)OC1C=CC(=CC=1Cl)C(F)(F)F"	"[Na+]"	"InChI=1S/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22)"	"BGZZWXTVIYUUEY-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"108828-56-4"	"DTXSID60148750"	"3-Carbamyl-(3'-picolyl)-4-methoxy-1-benzamide"	"EPA_DSSTox"	"COC1C=CC(=CC=1C(=O)NCC1C=NC=CC=1)C(N)=O"	"?"	"InChI=1S/C15H15N3O3/c1-21-13-5-4-11(14(16)19)7-12(13)15(20)18-9-10-3-2-6-17-8-10/h2-8H,9H2,1H3,(H2,16,19)(H,18,20)"	"QWZWECXMQXZQOG-UHFFFAOYSA-N"	FALSE	FALSE	1725	3	4
"108912-17-0"	NA	NA	"Public_CrossChecked"	"COC(=O)C(C)C1C=CC(=CC=1)C1=CSC=C1"	"?"	"InChI=1S/C14H14O2S/c1-10(14(15)16-2)11-3-5-12(6-4-11)13-7-8-17-9-13/h3-10H,1-2H3"	"WINXAKJYORVNHU-UHFFFAOYSA-N"	FALSE	TRUE	2330	3	5
"108929-04-0"	"DTXSID1046502"	"Epinastine hydrochloride"	"EPA_DSSTox"	"NC1=NCC2C3C=CC=CC=3CC3C=CC=CC=3N12"	"Cl"	"InChI=1S/C16H15N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15H,9-10H2,(H2,17,18)"	"WHWZLSFABNNENI-UHFFFAOYSA-N"	FALSE	FALSE	192	2	3
"108935-06-4"	"DTXSID40148778"	"Benzoic acid, 2-((aminocarbonyl)oxy)-, 2,5-dichlorophenyl ester"	"EPA_DSSTox"	"NC(=O)OC1C=CC=CC=1C(=O)OC1C=C(Cl)C=CC=1Cl"	"?"	"InChI=1S/C14H9Cl2NO4/c15-8-5-6-10(16)12(7-8)20-13(18)9-3-1-2-4-11(9)21-14(17)19/h1-7H,(H2,17,19)"	"SYIVIYLREXICPG-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"108957-94-4"	NA	NA	"Public_CrossChecked"	"CCOC(=O)C(C)(C)OC1C=CC2CCC(=CC=2C=1)N1C=NC=C1"	"?"	"InChI=1S/C19H22N2O3/c1-4-23-18(22)19(2,3)24-17-8-6-14-5-7-16(11-15(14)12-17)21-10-9-20-13-21/h6,8-13H,4-5,7H2,1-3H3"	"YDSOJJUBCARCDS-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"109-07-9"	"DTXSID1021900"	"2-Methylpiperazine"	"EPA_DSSTox"	"CC1CNCCN1"	"?"	"InChI=1S/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3"	"JOMNTHCQHJPVAZ-UHFFFAOYSA-N"	FALSE	TRUE	2030	3	5
"109-15-9"	"DTXSID6059364"	"Propanoic acid, 2-methyl-, octyl ester"	"EPA_DSSTox"	"CCCCCCCCOC(=O)C(C)C"	"?"	"InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-14-12(13)11(2)3/h11H,4-10H2,1-3H3"	"PQCYCHFQWMNQRJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"109-16-0"	"DTXSID3029607"	"Triethylene glycol dimethacrylate"	"EPA_DSSTox"	"CC(=C)C(=O)OCCOCCOCCOC(=O)C(C)=C"	"?"	"InChI=1S/C14H22O6/c1-11(2)13(15)19-9-7-17-5-6-18-8-10-20-14(16)12(3)4/h1,3,5-10H2,2,4H3"	"HWSSEYVMGDIFMH-UHFFFAOYSA-N"	FALSE	TRUE	10837	4	5
"109-19-3"	"DTXSID9047621"	"Butyl 3-methylbutanoate"	"EPA_DSSTox"	"CCCCOC(=O)CC(C)C"	"?"	"InChI=1S/C9H18O2/c1-4-5-6-11-9(10)7-8(2)3/h8H,4-7H2,1-3H3"	"AYWJSCLAAPJZEF-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"109-29-5"	"DTXSID4047622"	"Oxacycloheptadecan-2-one"	"EPA_DSSTox"	"O=C1CCCCCCCCCCCCCCCO1"	"?"	"InChI=1S/C16H30O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1-15H2"	"LOKPJYNMYCVCRM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"109-46-6"	"DTXSID8042187"	"N,N'-Dibutylthiourea"	"EPA_DSSTox"	"CCCCNC(=S)NCCCC"	"?"	"InChI=1S/C9H20N2S/c1-3-5-7-10-9(12)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12)"	"KFFQABQEJATQAT-UHFFFAOYSA-N"	FALSE	FALSE	350	2	4
"109-52-4"	"DTXSID7021655"	"Pentanoic acid"	"EPA_DSSTox"	"CCCCC(O)=O"	"?"	"InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)"	"NQPDZGIKBAWPEJ-UHFFFAOYSA-N"	FALSE	FALSE	1055	3	4
"109-55-7"	"DTXSID5025102"	"3-(Dimethylamino)propylamine"	"EPA_DSSTox"	"CN(C)CCCN"	"?"	"InChI=1S/C5H14N2/c1-7(2)5-3-4-6/h3-6H2,1-2H3"	"IUNMPGNGSSIWFP-UHFFFAOYSA-N"	FALSE	FALSE	1870	3	4
"109-57-9"	"DTXSID3024449"	"Allylthiourea"	"EPA_DSSTox"	"C=CCNC(N)=S"	"?"	"InChI=1S/C4H8N2S/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)"	"HTKFORQRBXIQHD-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"109-60-4"	"DTXSID6021901"	"Propyl acetate"	"EPA_DSSTox"	"CCCOC(C)=O"	"?"	"InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3"	"YKYONYBAUNKHLG-UHFFFAOYSA-N"	FALSE	TRUE	9370	4	5
"109-66-0"	"DTXSID2025846"	"Pentane"	"EPA_DSSTox"	"CCCCC"	"?"	"InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3"	"OFBQJSOFQDEBGM-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"109-67-1"	"DTXSID7025849"	"1-Pentene"	"EPA_DSSTox"	"CCCC=C"	"?"	"InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3"	"YWAKXRMUMFPDSH-UHFFFAOYSA-N"	FALSE	TRUE	4597	3	5
"109-69-3"	"DTXSID8020206"	"1-Chlorobutane"	"EPA_DSSTox"	"CCCCCl"	"?"	"InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3"	"VFWCMGCRMGJXDK-UHFFFAOYSA-N"	FALSE	TRUE	2670	3	5
"109-74-0"	"DTXSID1026823"	"Butanenitrile"	"EPA_DSSTox"	"CCCC#N"	"?"	"InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3"	"KVNRLNFWIYMESJ-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"109-78-4"	"DTXSID1025433"	"3-Hydroxypropanenitrile"	"EPA_DSSTox"	"N#CCCO"	"?"	"InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2"	"WSGYTJNNHPZFKR-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"109-83-1"	"DTXSID5025603"	"N-Methylethanolamine"	"EPA_DSSTox"	"CNCCO"	"?"	"InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3"	"OPKOKAMJFNKNAS-UHFFFAOYSA-N"	FALSE	FALSE	1391	3	4
"109-86-4"	"DTXSID5024182"	"2-Methoxyethanol"	"EPA_DSSTox"	"COCCO"	"?"	"InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3"	"XNWFRZJHXBZDAG-UHFFFAOYSA-N"	FALSE	TRUE	2257	3	5
"109-87-5"	"DTXSID1025564"	"Dimethoxymethane"	"EPA_DSSTox"	"COCOC"	"?"	"InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3"	"NKDDWNXOKDWJAK-UHFFFAOYSA-N"	FALSE	TRUE	6423	4	5
"109-89-7"	"DTXSID6021909"	"Diethylamine"	"EPA_DSSTox"	"CCNCC"	"?"	"InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3"	"HPNMFZURTQLUMO-UHFFFAOYSA-N"	FALSE	FALSE	540	3	4
"109-94-4"	"DTXSID6040117"	"Ethyl formate"	"EPA_DSSTox"	"CCOC=O"	"?"	"InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3"	"WBJINCZRORDGAQ-UHFFFAOYSA-N"	FALSE	FALSE	1850	3	4
"109-99-9"	"DTXSID1021328"	"Tetrahydrofuran"	"EPA_DSSTox"	"C1CCCO1"	"?"	"InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2"	"WYURNTSHIVDZCO-UHFFFAOYSA-N"	FALSE	FALSE	1650	3	4
"109293-97-2"	"DTXSID8034538"	"Diflufenzopyr"	"EPA_DSSTox"	"CC(=NNC(=O)NC1C=C(F)C=C(F)C=1)C1N=CC=CC=1C(O)=O"	"?"	"InChI=1S/C15H12F2N4O3/c1-8(13-12(14(22)23)3-2-4-18-13)20-21-15(24)19-11-6-9(16)5-10(17)7-11/h2-7H,1H3,(H,22,23)(H2,19,21,24)"	"IRJQWZWMQCVOLA-UHFFFAOYSA-N"	FALSE	TRUE	3300	3	5
"1093653-57-6"	"DTXSID30889269"	"Butanal, 4-(heptyloxy)-3-methyl-"	"EPA_DSSTox"	"CCCCCCCOCC(C)CC=O"	"?"	"InChI=1S/C12H24O2/c1-3-4-5-6-7-10-14-11-12(2)8-9-13/h9,12H,3-8,10-11H2,1-2H3"	"SUMGKDNQUWFTJW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1094-08-2"	"DTXSID4045347"	"Ethopropazine hydrochloride"	"EPA_DSSTox"	"CC(CN1C2C=CC=CC=2SC2C=CC=CC1=2)N(CC)CC"	"Cl"	"InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3"	"CDOZDBSBBXSXLB-UHFFFAOYSA-N"	FALSE	FALSE	1700	3	4
"109410-00-6"	"DTXSID50148926"	"Triethylamine, 2-(5-bromo-2-methoxybenzyloxy)-"	"EPA_DSSTox"	"COC1C=CC(Br)=CC=1COCCN(CC)CC"	"?"	"InChI=1S/C14H22BrNO2/c1-4-16(5-2)8-9-18-11-12-10-13(15)6-7-14(12)17-3/h6-7,10H,4-5,8-9,11H2,1-3H3"	"NHFHSXGYQFGVOF-UHFFFAOYSA-N"	FALSE	FALSE	220	2	3
"1095-90-5"	"DTXSID2020501"	"Methadone hydrochloride"	"EPA_DSSTox"	"CCC(=O)C(CC(C)N(C)C)(C1C=CC=CC=1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3"	"USSIQXCVUWKGNF-UHFFFAOYSA-N"	TRUE	FALSE	30	1	2
"109543-52-4"	"DTXSID00148976"	"Thiazolo(4,5-c)quinoline, 2-methyl-, monohydrochloride"	"EPA_DSSTox"	"CC1=NC2C=NC3C=CC=CC=3C=2S1"	"Cl"	"InChI=1S/C11H8N2S/c1-7-13-10-6-12-9-5-3-2-4-8(9)11(10)14-7/h2-6H,1H3"	"WJDUOAAAWXDSHV-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"1097-57-0"	"DTXSID90149018"	"1-Imidazolidinecarboxylic acid, 2,5-dioxo-4,4-diphenyl-, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)N1C(=O)NC(C2C=CC=CC=2)(C2C=CC=CC=2)C1=O"	"?"	"InChI=1S/C18H16N2O4/c1-2-24-17(23)20-15(21)18(19-16(20)22,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,19,22)"	"WAOIWRAOVPQJKC-UHFFFAOYSA-N"	FALSE	TRUE	3500	3	5
"109825-47-0"	"DTXSID1073785"	"2-(tert-Butyl)-N-(2,4-dinitrophenyl)-4,6-dinitroaniline"	"EPA_DSSTox"	"CC(C)(C)C1C=C(C=C(C=1NC1C=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C16H15N5O8/c1-16(2,3)11-6-10(19(24)25)8-14(21(28)29)15(11)17-12-5-4-9(18(22)23)7-13(12)20(26)27/h4-8,17H,1-3H3"	"MRWCOHWHJMMLRM-UHFFFAOYSA-N"	TRUE	FALSE	2	1	1
"1099-87-2"	"DTXSID00273954"	"Sodium prasterone sulfate"	"EPA_DSSTox"	"CC12CCC(CC1=CCC1C2CCC2(C)C1CCC2=O)OS(O)(=O)=O"	"[Na+]"	"InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)"	"CZWCKYRVOZZJNM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"109965-82-4"	"DTXSID80149082"	"Triethylamine, 2-(5-bromo-2-pentyloxybenzyloxy)-"	"EPA_DSSTox"	"CCCCCOC1C=CC(Br)=CC=1COCCN(CC)CC"	"?"	"InChI=1S/C18H30BrNO2/c1-4-7-8-12-22-18-10-9-17(19)14-16(18)15-21-13-11-20(5-2)6-3/h9-10,14H,4-8,11-13,15H2,1-3H3"	"OKLNKVUJLBLOSU-UHFFFAOYSA-N"	FALSE	FALSE	320	2	4
"110-02-1"	"DTXSID8026145"	"Thiophene"	"EPA_DSSTox"	"C1=CC=CS1"	"?"	"InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H"	"YTPLMLYBLZKORZ-UHFFFAOYSA-N"	FALSE	FALSE	1400	3	4
"110-03-2"	"DTXSID0026830"	"2,5-Dimethylhexane-2,5-diol"	"EPA_DSSTox"	"CC(C)(O)CCC(C)(C)O"	"?"	"InChI=1S/C8H18O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,5-6H2,1-4H3"	"ZWNMRZQYWRLGMM-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"110-05-4"	"DTXSID2024955"	"Di-tert-butyl peroxide"	"EPA_DSSTox"	"CC(C)(C)OOC(C)(C)C"	"?"	"InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3"	"LSXWFXONGKSEMY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"110-12-3"	"DTXSID5021914"	"5-Methyl-2-hexanone"	"EPA_DSSTox"	"CC(C)CCC(C)=O"	"?"	"InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3"	"FFWSICBKRCICMR-UHFFFAOYSA-N"	FALSE	TRUE	2542	3	5
"110-13-4"	"DTXSID8030138"	"2,5-Hexanedione"	"EPA_DSSTox"	"CC(=O)CCC(C)=O"	"?"	"InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3"	"OJVAMHKKJGICOG-UHFFFAOYSA-N"	FALSE	TRUE	2076	3	5
"110-15-6"	"DTXSID6023602"	"Butanedioic acid"	"EPA_DSSTox"	"OC(=O)CCC(O)=O"	"?"	"InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)"	"KDYFGRWQOYBRFD-UHFFFAOYSA-N"	FALSE	TRUE	2260	3	5
"110-18-9"	"DTXSID5026122"	"N,N,N',N'-Tetramethylethylenediamine"	"EPA_DSSTox"	"CN(C)CCN(C)C"	"?"	"InChI=1S/C6H16N2/c1-7(2)5-6-8(3)4/h5-6H2,1-4H3"	"KWYHDKDOAIKMQN-UHFFFAOYSA-N"	FALSE	FALSE	268	2	3
"110-19-0"	"DTXSID5026837"	"Isobutyl acetate"	"EPA_DSSTox"	"CC(C)COC(C)=O"	"?"	"InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3"	"GJRQTCIYDGXPES-UHFFFAOYSA-N"	FALSE	TRUE	13400	4	5
"110-21-4"	"DTXSID6024628"	"Biurea"	"EPA_DSSTox"	"NC(=O)NNC(N)=O"	"?"	"InChI=1S/C2H6N4O2/c3-1(7)5-6-2(4)8/h(H3,3,5,7)(H3,4,6,8)"	"ULUZGMIUTMRARO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"110-25-8"	"DTXSID5042243"	"Oleyl sarcosine"	"EPA_DSSTox"	"CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(O)=O"	"?"	"InChI=1S/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25/h10-11H,3-9,12-19H2,1-2H3,(H,24,25)"	"DIOYAVUHUXAUPX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"110-26-9"	"DTXSID8025595"	"N,N'-Methylenebisacrylamide"	"EPA_DSSTox"	"C=CC(=O)NCNC(=O)C=C"	"?"	"InChI=1S/C7H10N2O2/c1-3-6(10)8-5-9-7(11)4-2/h3-4H,1-2,5H2,(H,8,10)(H,9,11)"	"ZIUHHBKFKCYYJD-UHFFFAOYSA-N"	FALSE	FALSE	390	2	4
"110-32-7"	"DTXSID9073123"	"Di(2-hexyloxyethyl) adipate"	"EPA_DSSTox"	"CCCCCCOCCOC(=O)CCCCC(=O)OCCOCCCCCC"	"?"	"InChI=1S/C22H42O6/c1-3-5-7-11-15-25-17-19-27-21(23)13-9-10-14-22(24)28-20-18-26-16-12-8-6-4-2/h3-20H2,1-2H3"	"BUOCZPSVAWQIOT-UHFFFAOYSA-N"	FALSE	TRUE	4290	3	5
"110-36-1"	"DTXSID4038716"	"Butyl myristate"	"EPA_DSSTox"	"CCCCCCCCCCCCCC(=O)OCCCC"	"?"	"InChI=1S/C18H36O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18(19)20-17-6-4-2/h3-17H2,1-2H3"	"DHAZIUXMHRHVMP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"110-40-7"	"DTXSID0021915"	"Diethyl decanedioate"	"EPA_DSSTox"	"CCOC(=O)CCCCCCCCC(=O)OCC"	"?"	"InChI=1S/C14H26O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2/h3-12H2,1-2H3"	"ONKUXPIBXRRIDU-UHFFFAOYSA-N"	FALSE	TRUE	14470	4	5
"110-41-8"	"DTXSID9047629"	"2-Methylundecanal"	"EPA_DSSTox"	"CCCCCCCCCC(C)C=O"	"?"	"InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h11-12H,3-10H2,1-2H3"	"NFAVNWJJYQAGNB-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"110-43-0"	"DTXSID5021916"	"2-Heptanone"	"EPA_DSSTox"	"CCCCCC(C)=O"	"?"	"InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3"	"CATSNJVOTSVZJV-UHFFFAOYSA-N"	FALSE	FALSE	1670	3	4
"110-44-1"	"DTXSID3021277"	"Sorbic acid"	"EPA_DSSTox"	"CC=CC=CC(O)=O"	"?"	"InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)"	"WSWCOQWTEOXDQX-UHFFFAOYSA-N"	FALSE	TRUE	7360	4	5
"110-45-2"	"DTXSID00861734"	"Isoamyl formate"	"EPA_DSSTox"	"CC(C)CCOC=O"	"?"	"InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3"	"XKYICAQFSCFURC-UHFFFAOYSA-N"	FALSE	TRUE	9840	4	5
"110-49-6"	"DTXSID2025553"	"2-Methoxyethyl acetate"	"EPA_DSSTox"	"COCCOC(C)=O"	"?"	"InChI=1S/C5H10O3/c1-5(6)8-4-3-7-2/h3-4H2,1-2H3"	"XLLIQLLCWZCATF-UHFFFAOYSA-N"	FALSE	FALSE	1250	3	4
"110-51-0"	"DTXSID1051569"	"Pyridine--borane (1:1)"	"EPA_DSSTox"	"C1=CC=CC=N1"	"B"	"InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H"	"JUJWROOIHBZHMG-UHFFFAOYSA-N"	FALSE	FALSE	95.4	2	3
"110-54-3"	"DTXSID0021917"	"n-Hexane"	"EPA_DSSTox"	"CCCCCC"	"?"	"InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3"	"VLKZOEOYAKHREP-UHFFFAOYSA-N"	FALSE	TRUE	25000	4	5
"110-59-8"	"DTXSID3026275"	"Valeronitrile"	"EPA_DSSTox"	"CCCCC#N"	"?"	"InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3"	"RFFFKMOABOFIDF-UHFFFAOYSA-N"	FALSE	FALSE	332	2	4
"110-60-1"	"DTXSID4041107"	"Putrescine"	"EPA_DSSTox"	"NCCCCN"	"?"	"InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2"	"KIDHWZJUCRJVML-UHFFFAOYSA-N"	FALSE	FALSE	463	2	4
"110-61-2"	"DTXSID9026059"	"Succinonitrile"	"EPA_DSSTox"	"N#CCCC#N"	"?"	"InChI=1S/C4H4N2/c5-3-1-2-4-6/h1-2H2"	"IAHFWCOBPZCAEA-UHFFFAOYSA-N"	FALSE	FALSE	450	2	4
"110-62-3"	"DTXSID7021653"	"Pentanal"	"EPA_DSSTox"	"CCCCC=O"	"?"	"InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3"	"HGBOYTHUEUWSSQ-UHFFFAOYSA-N"	FALSE	TRUE	4581	3	5
"110-64-5"	"DTXSID9026849"	"2-Butene-1,4-diol"	"EPA_DSSTox"	"OCC=CCO"	"?"	"InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2"	"ORTVZLZNOYNASJ-UHFFFAOYSA-N"	FALSE	FALSE	1250	3	4
"110-65-6"	"DTXSID4021921"	"2-Butyne-1,4-diol"	"EPA_DSSTox"	"OCC#CCO"	"?"	"InChI=1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2"	"DLDJFQGPPSQZKI-UHFFFAOYSA-N"	FALSE	FALSE	104	2	3
"110-67-8"	"DTXSID3026851"	"3-Methoxypropionitrile"	"EPA_DSSTox"	"COCCC#N"	"?"	"InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3"	"OOWFYDWAMOKVSF-UHFFFAOYSA-N"	FALSE	TRUE	4390	3	5
"110-68-9"	"DTXSID9059389"	"1-Butanamine, N-methyl-"	"EPA_DSSTox"	"CCCCNC"	"?"	"InChI=1S/C5H13N/c1-3-4-5-6-2/h6H,3-5H2,1-2H3"	"QCOGKXLOEWLIDC-UHFFFAOYSA-N"	FALSE	FALSE	420	2	4
"110-71-4"	"DTXSID0025286"	"Ethylene glycol dimethyl ether"	"EPA_DSSTox"	"COCCOC"	"?"	"InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3"	"XTHFKEDIFFGKHM-UHFFFAOYSA-N"	FALSE	TRUE	5370	4	5
"110-74-7"	"DTXSID3059391"	"Formic acid, propyl ester"	"EPA_DSSTox"	"CCCOC=O"	"?"	"InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3"	"KFNNIILCVOLYIR-UHFFFAOYSA-N"	FALSE	TRUE	3980	3	5
"110-75-8"	"DTXSID0051570"	"2-Chloroethyl vinyl ether"	"EPA_DSSTox"	"C=COCCCl"	"?"	"InChI=1S/C4H7ClO/c1-2-6-4-3-5/h2H,1,3-4H2"	"DNJRKFKAFWSXSE-UHFFFAOYSA-N"	FALSE	FALSE	210	2	3
"110-77-0"	"DTXSID3059393"	"Ethanol, 2-(ethylthio)-"	"EPA_DSSTox"	"CCSCCO"	"?"	"InChI=1S/C4H10OS/c1-2-6-4-3-5/h5H,2-4H2,1H3"	"LNRIEBFNWGMXKP-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"110-80-5"	"DTXSID7024087"	"2-Ethoxyethanol"	"EPA_DSSTox"	"CCOCCO"	"?"	"InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3"	"ZNQVEEAIQZEUHB-UHFFFAOYSA-N"	FALSE	FALSE	1519	3	4
"110-81-6"	"DTXSID3051464"	"Diethyl disulphide"	"EPA_DSSTox"	"CCSSCC"	"?"	"InChI=1S/C4H10S2/c1-3-5-6-4-2/h3-4H2,1-2H3"	"CETBSQOFQKLHHZ-UHFFFAOYSA-N"	FALSE	TRUE	2030	3	5
"110-82-7"	"DTXSID4021923"	"Cyclohexane"	"EPA_DSSTox"	"C1CCCCC1"	"?"	"InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2"	"XDTMQSROBMDMFD-UHFFFAOYSA-N"	FALSE	TRUE	12705	4	5
"110-83-8"	"DTXSID9038717"	"Cyclohexene"	"EPA_DSSTox"	"C1CCCC=C1"	"?"	"InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2"	"HGCIXCUEYOPUTN-UHFFFAOYSA-N"	FALSE	FALSE	1946	3	4
"110-85-0"	"DTXSID1021164"	"Piperazine"	"EPA_DSSTox"	"C1CNCCN1"	"?"	"InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2"	"GLUUGHFHXGJENI-UHFFFAOYSA-N"	FALSE	FALSE	1975	3	4
"110-86-1"	"DTXSID9021924"	"Pyridine"	"EPA_DSSTox"	"C1=CC=CC=N1"	"?"	"InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H"	"JUJWROOIHBZHMG-UHFFFAOYSA-N"	FALSE	FALSE	891	3	4
"110-89-4"	"DTXSID6021165"	"Piperidine"	"EPA_DSSTox"	"C1CCCCN1"	"?"	"InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2"	"NQRYJNQNLNOLGT-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"110-91-8"	"DTXSID2025688"	"Morpholine"	"EPA_DSSTox"	"C1COCCN1"	"?"	"InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2"	"YNAVUWVOSKDBBP-UHFFFAOYSA-N"	FALSE	FALSE	1050	3	4
"110-93-0"	"DTXSID5021629"	"6-Methyl-5-hepten-2-one"	"EPA_DSSTox"	"CC(C)=CCCC(C)=O"	"?"	"InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3"	"UHEPJGULSIKKTP-UHFFFAOYSA-N"	FALSE	TRUE	3500	3	5
"110-94-1"	"DTXSID2021654"	"Pentanedioic acid"	"EPA_DSSTox"	"OC(=O)CCCC(O)=O"	"?"	"InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)"	"JFCQEDHGNNZCLN-UHFFFAOYSA-N"	FALSE	TRUE	6000	4	5
"110-95-2"	"DTXSID9047469"	"N,N,N',N'-Tetramethyl-1,3-propanediamine"	"EPA_DSSTox"	"CN(C)CCCN(C)C"	"?"	"InChI=1S/C7H18N2/c1-8(2)6-5-7-9(3)4/h5-7H2,1-4H3"	"DMQSHEKGGUOYJS-UHFFFAOYSA-N"	FALSE	FALSE	624	3	4
"110-96-3"	"DTXSID5025079"	"Diisobutylamine"	"EPA_DSSTox"	"CC(C)CNCC(C)C"	"?"	"InChI=1S/C8H19N/c1-7(2)5-9-6-8(3)4/h7-9H,5-6H2,1-4H3"	"NJBCRXCAPCODGX-UHFFFAOYSA-N"	FALSE	FALSE	258	2	3
"110-97-4"	"DTXSID8020179"	"Diisopropanolamine"	"EPA_DSSTox"	"CC(O)CNCC(C)O"	"?"	"InChI=1S/C6H15NO2/c1-5(8)3-7-4-6(2)9/h5-9H,3-4H2,1-2H3"	"LVTYICIALWPMFW-UHFFFAOYSA-N"	FALSE	TRUE	4765	3	5
"110-98-5"	"DTXSID7026863"	"1,1'-Oxybis-2-propanol"	"EPA_DSSTox"	"CC(O)COCC(C)O"	"?"	"InChI=1S/C6H14O3/c1-5(7)3-9-4-6(2)8/h5-8H,3-4H2,1-2H3"	"AZUXKVXMJOIAOF-UHFFFAOYSA-N"	FALSE	TRUE	14800	4	5
"110-99-6"	"DTXSID4041575"	"Diglycolic acid"	"EPA_DSSTox"	"OC(=O)COCC(O)=O"	"?"	"InChI=1S/C4H6O5/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)"	"QEVGZEDELICMKH-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"11006-33-0"	NA	NA	"Public_CrossChecked"	"CC1(OC2OC(CO)C(O)C(O)(C2O)C(N)=O)C(OC(CO)C(O)C1O)OC(C(NC(=O)C1=NC(=NC(N)=C1C)C(CC(N)=O)NCC(N)C(N)=O)C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCC1=NC(CS1)C1=NC(=CS1)C(N)=O)C(C)=O)C1=CN=CN1"	"?"	"InChI=1S/C51H75N17O21S2/c1-16-29(65-41(68-38(16)54)21(8-27(53)72)60-9-20(52)39(55)78)44(82)67-31(34(22-10-58-15-61-22)88-49-50(5,36(76)33(74)25(11-69)87-49)89-47-37(77)51(85,48(57)84)35(75)26(12-70)86-47)45(83)62-18(3)32(73)17(2)42(80)66-30(19(4)71)43(81)59-7-6-28-63-24(14-90-28)46-64-23(13-91-46)40(56)79/h10,13,15,17-18,20-21,24-26,30-37,47,49,60,69-70,73-77,85H,6-9,11-12,14,52H2,1-5H3,(H2,53,72)(H2,55,78)(H2,56,79)(H2,57,84)(H,58,61)(H,59,81)(H,62,83)(H,66,80)(H,67,82)(H2,54,65,68)"	"QRBLKGHRWFGINE-UHFFFAOYSA-N"	FALSE	FALSE	649	3	4
"11011-72-6"	"DTXSID10891345"	"Bluensomycin"	"EPA_DSSTox"	"CC1OC(OC2C(NC(N)=N)C(O)C(OC(N)=O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2NC)C1(O)CO"	"?"	"InChI=1S/C21H39N5O14/c1-5-21(35,4-28)16(40-17-8(25-2)10(30)9(29)6(3-27)37-17)18(36-5)38-14-7(26-19(22)23)11(31)15(39-20(24)34)13(33)12(14)32/h5-18,25,27-33,35H,3-4H2,1-2H3,(H2,24,34)(H4,22,23,26)"	"RQLDKUSQKQMFCN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"110147-48-3"	NA	NA	"Public_CrossChecked"	"CC(=O)C1=CC2=C(C=C1)SC1C=CC=CC=1N2CCCN1CCOCC1"	"?"	"InChI=1S/C21H24N2O2S/c1-16(24)17-7-8-21-19(15-17)23(18-5-2-3-6-20(18)26-21)10-4-9-22-11-13-25-14-12-22/h2-3,5-8,15H,4,9-14H2,1H3"	"LHIVZMCFFLIJNK-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"110221-44-8"	"DTXSID7046914"	"Temocapril hydrochloride"	"EPA_DSSTox"	"CCOC(=O)C(CCC1C=CC=CC=1)NC1CSC(CN(CC(O)=O)C1=O)C1=CC=CS1"	"Cl"	"InChI=1S/C23H28N2O5S2/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27)"	"FIQOFIRCTOWDOW-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"110311-27-8"	"DTXSID20149208"	"Sulofenur"	"EPA_DSSTox"	"O=C(NC1C=CC(Cl)=CC=1)NS(=O)(=O)C1=CC2CCCC=2C=C1"	"?"	"InChI=1S/C16H15ClN2O3S/c17-13-5-7-14(8-6-13)18-16(20)19-23(21,22)15-9-4-11-2-1-3-12(11)10-15/h4-10H,1-3H2,(H2,18,19,20)"	"JQJSFAJISYZPER-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"1103234-56-5"	"DTXSID80673054"	"2,6-Difluoro-3-[(propane-1-sulfonyl)amino]benzoic acid"	"EPA_DSSTox"	"CCCS(=O)(=O)NC1=CC=C(F)C(C(O)=O)=C1F"	"?"	"InChI=1S/C10H11F2NO4S/c1-2-5-18(16,17)13-7-4-3-6(11)8(9(7)12)10(14)15/h3-4,13H,2,5H2,1H3,(H,14,15)"	"RTAWCKGXCGSFJI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"11034-31-4"	NA	NA	"Public_CrossChecked"	"CC1(C(C2CCC1O2)C(O)=O)C(O)=O"	"[Na+].[Na+]"	"InChI=1S/C9H12O5/c1-9(8(12)13)5-3-2-4(14-5)6(9)7(10)11/h4-6H,2-3H2,1H3,(H,10,11)(H,12,13)"	"XIUCRMDWTGSKBJ-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"110429-62-4"	"DTXSID3034458"	"Clethodim"	"EPA_DSSTox"	"CC(CC1CC(=O)C(C(O)=C1)C(CC)=NOCC=CCl)SCC"	"?"	"InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,10,12-13,17,20H,4-5,8-9,11H2,1-3H3"	"IBWJPHRLICSYBI-UHFFFAOYSA-N"	FALSE	FALSE	1360	3	4
"110488-70-5"	"DTXSID7034545"	"Dimethomorph"	"EPA_DSSTox"	"COC1C=C(C=CC=1OC)C(=CC(=O)N1CCOCC1)C1C=CC(Cl)=CC=1"	"?"	"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"	"QNBTYORWCCMPQP-UHFFFAOYSA-N"	FALSE	TRUE	3900	3	5
"110528-94-4"	"DTXSID7074583"	"1,3-Propanediaminium, 2-hydroxy-N1,N3-bis(2-hydroxyethyl)-N1,N1,N3,N3-tetramethyl-, chloride (1:2)"	"EPA_DSSTox"	"C[N+](C)(CC(O)C[N+](C)(C)CCO)CCO"	"[Cl-].[Cl-]"	"InChI=1S/C11H28N2O3/c1-12(2,5-7-14)9-11(16)10-13(3,4)6-8-15/h11,14-16H,5-10H2,1-4H3/q+2"	"HFXVAKJGXLSTHX-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"110599-10-5"	NA	NA	"Public_CrossChecked"	"COC1=CC2C=CC(=CC=2C=C1)C(C)C(=O)OCCO"	"?"	"InChI=1S/C16H18O4/c1-11(16(18)20-8-7-17)12-3-4-14-10-15(19-2)6-5-13(14)9-12/h3-6,9-11,17H,7-8H2,1-2H3"	"NYYKRAQUHNVACN-UHFFFAOYSA-N"	FALSE	FALSE	1720	3	4
"110599-11-6"	NA	NA	"Public_CrossChecked"	"COC1=CC2C=CC(=CC=2C=C1)C(C)C(=O)OCCOCCO"	"?"	"InChI=1S/C18H22O5/c1-13(18(20)23-10-9-22-8-7-19)14-3-4-16-12-17(21-2)6-5-15(16)11-14/h3-6,11-13,19H,7-10H2,1-2H3"	"QGUVTSMJXSPZID-UHFFFAOYSA-N"	FALSE	FALSE	638	3	4
"11071-47-9"	"DTXSID4029721"	"Isooctene"	"EPA_DSSTox"	"CC(C)CCCC=C"	"?"	"InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h4,8H,1,5-7H2,2-3H3"	"DFVOXRAAHOJJBN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"11077-03-5"	NA	NA	"Public_CrossChecked"	"CC12CC(C)CC(CCCCCCCC(O)CC3OC(O)(CC(O)C(C)C=CC(O)CCC(O)C(O)C4CC(O)C(O)C(CC(O)C(O)CC5OC(CC(O)C=CC=CCC(O)C(O)C(O)CC=CC(=C)CCC(O)C(O)C(O)C(C)CC6OC(C=CC(O)C(O)CC7CC8CC(O7)C(CCC7OC(CN)CC7O)O8)C(O)C(O)C6O)C(O)C(O)C5O)O4)C(O)C(O)C3O)(O1)OC2CC(C)CCCCCC(O)C(O)C(O)C(O)C(O)C1OC(CC(O)C(O)C(C)=CC(O)CC(C)C(=O)C(O)N=CCC(=O)NCCCO)C(O)C(O)C1O"	"?"	"InChI=1S/C129H223N3O54/c1-62(29-33-81(143)108(158)103(153)68(7)47-93-111(161)117(167)110(160)91(180-93)36-35-76(138)82(144)51-73-50-74-53-92(178-73)90(177-74)38-37-89-85(147)52-75(61-130)179-89)23-20-28-78(140)105(155)77(139)26-18-13-16-25-70(135)48-94-112(162)118(168)113(163)97(181-94)55-84(146)83(145)54-95-107(157)87(149)57-96(182-95)106(156)80(142)34-32-69(134)31-30-65(4)88(150)60-129(176)125(174)123(173)115(165)99(184-129)49-71(136)24-15-10-9-11-19-40-128-59-64(3)58-127(8,186-128)100(185-128)44-63(2)22-14-12-17-27-79(141)109(159)116(166)120(170)122(172)124-121(171)119(169)114(164)98(183-124)56-86(148)102(152)66(5)45-72(137)46-67(6)104(154)126(175)132-42-39-101(151)131-41-21-43-133/h13,16,18,20,23,25,30-31,35-36,42,45,63-65,67-100,102-103,105-126,133-150,152-153,155-176H,1,9-12,14-15,17,19,21-22,24,26-29,32-34,37-41,43-44,46-61,130H2,2-8H3,(H,131,151)"	"ZYEKEOWGXUWHNV-UHFFFAOYSA-N"	TRUE	FALSE	NA	1	1
"110871-86-8"	"DTXSID9023590"	"Sparfloxacin"	"EPA_DSSTox"	"CC1CN(CC(C)N1)C1=C(F)C2=C(C(N)=C1F)C(=O)C(=CN2C1CC1)C(O)=O"	"?"	"InChI=1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)"	"DZZWHBIBMUVIIW-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"110882-70-7"	"DTXSID80149406"	"Acetamide, N-(6-chloro-5-nitro-2-pyridyl)-"	"EPA_DSSTox"	"CC(=O)NC1=CC=C(C(Cl)=N1)[N+]([O-])=O"	"?"	"InChI=1S/C7H6ClN3O3/c1-4(12)9-6-3-2-5(11(13)14)7(8)10-6/h2-3H,1H3,(H,9,10,12)"	"KKTGQJSKUMYTQA-UHFFFAOYSA-N"	FALSE	FALSE	1938	3	4
"11096-42-7"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCC1=CC=C(C=C1)OCCO"	"II"	"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"	FALSE	TRUE	2100	3	5
"11096-82-5"	NA	NA	"Public_CrossChecked"	"ClC1C=CC(C2=CC=C(Cl)C(Cl)=C2Cl)=C(Cl)C=1Cl"	"?"	"InChI=1S/C12H4Cl6/c13-7-3-1-5(9(15)11(7)17)6-2-4-8(14)12(18)10(6)16/h1-4H"	"BTAGRXWGMYTPBY-UHFFFAOYSA-N"	FALSE	FALSE	1300	3	4
"11097-59-9"	"DTXSID9027730"	"Aluminate (Al(OH)63-), (OC-6-11)-, magnesium carbonate hydroxide (2:6:1:4)"	"EPA_DSSTox"	"OC(O)=O"	"[OH-].[OH-].[OH-].[OH-]"	"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)"	"BVKZGUZCCUSVTD-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"111-01-3"	"DTXSID0046513"	"Squalane"	"EPA_DSSTox"	"CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C"	"?"	"InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3"	"PRAKJMSDJKAYCZ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"111-10-4"	NA	NA	"Public_CrossChecked"	"COCCOC(=O)CCCCCCCC=CCCCCCCCC"	"?"	"InChI=1S/C21H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(22)24-20-19-23-2/h10-11H,3-9,12-20H2,1-2H3"	"UFARNTYYPHYLGN-UHFFFAOYSA-N"	FALSE	TRUE	11210	4	5
"111-13-7"	"DTXSID4021927"	"2-Octanone"	"EPA_DSSTox"	"CCCCCCC(C)=O"	"?"	"InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3"	"ZPVFWPFBNIEHGJ-UHFFFAOYSA-N"	TRUE	FALSE	9	1	2
"111-14-8"	"DTXSID2021600"	"Heptanoic acid"	"EPA_DSSTox"	"CCCCCCC(O)=O"	"?"	"InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)"	"MNWFXJYAOYHMED-UHFFFAOYSA-N"	FALSE	TRUE	7000	4	5
"111-15-9"	"DTXSID9021928"	"2-Ethoxyethyl acetate"	"EPA_DSSTox"	"CCOCCOC(C)=O"	"?"	"InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3"	"SVONRAPFKPVNKG-UHFFFAOYSA-N"	FALSE	TRUE	2700	3	5
"111-16-0"	"DTXSID5021598"	"Heptanedioic acid"	"EPA_DSSTox"	"OC(=O)CCCCCC(O)=O"	"?"	"InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)"	"WLJVNTCWHIRURA-UHFFFAOYSA-N"	FALSE	TRUE	7000	4	5
"111-17-1"	"DTXSID8044200"	"Bis(2-carboxyethyl) sulfide"	"EPA_DSSTox"	"OC(=O)CCSCCC(O)=O"	"?"	"InChI=1S/C6H10O4S/c7-5(8)1-3-11-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)"	"ODJQKYXPKWQWNK-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"111-20-6"	"DTXSID7026867"	"Decanedioic acid"	"EPA_DSSTox"	"OC(=O)CCCCCCCCC(O)=O"	"?"	"InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)"	"CXMXRPHRNRROMY-UHFFFAOYSA-N"	FALSE	TRUE	14375	4	5
"111-21-7"	"DTXSID3026223"	"Triethylene glycol diacetate"	"EPA_DSSTox"	"CC(=O)OCCOCCOCCOC(C)=O"	"?"	"InChI=1S/C10H18O6/c1-9(11)15-7-5-13-3-4-14-6-8-16-10(2)12/h3-8H2,1-2H3"	"OVOUKWFJRHALDD-UHFFFAOYSA-N"	FALSE	TRUE	15594	4	5
"111-22-8"	"DTXSID0051572"	"Triethylene glycol dinitrate"	"EPA_DSSTox"	"[O-][N+](=O)OCCOCCOCCO[N+]([O-])=O"	"?"	"InChI=1S/C6H12N2O8/c9-7(10)15-5-3-13-1-2-14-4-6-16-8(11)12/h1-6H2"	"AGCQZYRSTIRJFM-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"111-25-1"	"DTXSID4021929"	"1-Bromohexane"	"EPA_DSSTox"	"CCCCCCBr"	"?"	"InChI=1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3"	"MNDIARAMWBIKFW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"111-26-2"	"DTXSID3021930"	"Hexylamine"	"EPA_DSSTox"	"CCCCCCN"	"?"	"InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3"	"BMVXCPBXGZKUPN-UHFFFAOYSA-N"	FALSE	FALSE	670	3	4
"111-27-3"	"DTXSID8021931"	"1-Hexanol"	"EPA_DSSTox"	"CCCCCCO"	"?"	"InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3"	"ZSIAUFGUXNUGDI-UHFFFAOYSA-N"	FALSE	TRUE	3210	3	5
"111-30-8"	"DTXSID6025355"	"Glutaraldehyde"	"EPA_DSSTox"	"O=CCCCC=O"	"?"	"InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2"	"SXRSQZLOMIGNAQ-UHFFFAOYSA-N"	FALSE	FALSE	134	2	3
"111-31-9"	"DTXSID0051574"	"1-Hexanethiol"	"EPA_DSSTox"	"CCCCCCS"	"?"	"InChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3"	"PMBXCGGQNSVESQ-UHFFFAOYSA-N"	FALSE	FALSE	1254	3	4
"111-34-2"	"DTXSID5051575"	"Butyl vinyl ether"	"EPA_DSSTox"	"CCCCOC=C"	"?"	"InChI=1S/C6H12O/c1-3-5-6-7-4-2/h4H,2-3,5-6H2,1H3"	"UZKWTJUDCOPSNM-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"111-35-3"	"DTXSID4073124"	"3-Ethoxy-1-propanol"	"EPA_DSSTox"	"CCOCCCO"	"?"	"InChI=1S/C5H12O2/c1-2-7-5-3-4-6/h6H,2-5H2,1H3"	"XHMWPVBQGARKQM-UHFFFAOYSA-N"	FALSE	TRUE	7000	4	5
"111-36-4"	"DTXSID6026872"	"Butyl isocyanate"	"EPA_DSSTox"	"CCCCN=C=O"	"?"	"InChI=1S/C5H9NO/c1-2-3-4-6-5-7/h2-4H2,1H3"	"HNHVTXYLRVGMHD-UHFFFAOYSA-N"	FALSE	FALSE	360	2	4
"111-41-1"	"DTXSID7025423"	"N-(Hydroxyethyl)ethylenediamine"	"EPA_DSSTox"	"NCCNCCO"	"?"	"InChI=1S/C4H12N2O/c5-1-2-6-3-4-7/h6-7H,1-5H2"	"LHIJANUOQQMGNT-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"111-42-2"	"DTXSID3021932"	"Diethanolamine"	"EPA_DSSTox"	"OCCNCCO"	"?"	"InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2"	"ZBCBWPMODOFKDW-UHFFFAOYSA-N"	FALSE	FALSE	210	2	3
"111-45-5"	"DTXSID0059401"	"Ethanol, 2-(2-propenyloxy)-"	"EPA_DSSTox"	"C=CCOCCO"	"?"	"InChI=1S/C5H10O2/c1-2-4-7-5-3-6/h2,6H,1,3-5H2"	"GCYHRYNSUGLLMA-UHFFFAOYSA-N"	FALSE	TRUE	3050	3	5
"111-46-6"	"DTXSID8020462"	"Diethylene glycol"	"EPA_DSSTox"	"OCCOCCO"	"?"	"InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2"	"MTHSVFCYNBDYFN-UHFFFAOYSA-N"	FALSE	TRUE	12567.5	4	5
"111-48-8"	"DTXSID6026878"	"2,2'-Thiobisethanol"	"EPA_DSSTox"	"OCCSCCO"	"?"	"InChI=1S/C4H10O2S/c5-1-3-7-4-2-6/h5-6H,1-4H2"	"YODZTKMDCQEPHD-UHFFFAOYSA-N"	FALSE	TRUE	6610	4	5
"111-49-9"	"DTXSID1026879"	"Hexamethyleneimine"	"EPA_DSSTox"	"C1CCCCCN1"	"?"	"InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2"	"ZSIQJIWKELUFRJ-UHFFFAOYSA-N"	TRUE	FALSE	20.7	1	2
"111-55-7"	"DTXSID0026880"	"1,2-Ethanediol diacetate"	"EPA_DSSTox"	"CC(=O)OCCOC(C)=O"	"?"	"InChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3"	"JTXMVXSTHSMVQF-UHFFFAOYSA-N"	FALSE	TRUE	6850	4	5
"111-61-5"	"DTXSID5059406"	"Ethyl stearate"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCC(=O)OCC"	"?"	"InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3"	"MVLVMROFTAUDAG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"111-70-6"	"DTXSID8021937"	"1-Heptanol"	"EPA_DSSTox"	"CCCCCCCO"	"?"	"InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3"	"BBMCTIGTTCKYKF-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"111-71-7"	"DTXSID0021597"	"Heptanal"	"EPA_DSSTox"	"CCCCCCC=O"	"?"	"InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3"	"FXHGMKSSBGDXIY-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"111-73-9"	"DTXSID10149439"	"1-Butanol, 4-ethoxy-"	"EPA_DSSTox"	"CCOCCCCO"	"?"	"InChI=1S/C6H14O2/c1-2-8-6-4-3-5-7/h7H,2-6H2,1H3"	"QRUOTIJTSNETKW-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"111-75-1"	"DTXSID9059410"	"Ethanol, 2-(butylamino)-"	"EPA_DSSTox"	"CCCCNCCO"	"?"	"InChI=1S/C6H15NO/c1-2-3-4-7-5-6-8/h7-8H,2-6H2,1H3"	"LJDSTRZHPWMDPG-UHFFFAOYSA-N"	FALSE	FALSE	1150	3	4
"111-76-2"	"DTXSID1024097"	"2-Butoxyethanol"	"EPA_DSSTox"	"CCCCOCCO"	"?"	"InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3"	"POAOYUHQDCAZBD-UHFFFAOYSA-N"	FALSE	FALSE	470	2	4
"111-77-3"	"DTXSID3025049"	"Diethylene glycol monomethyl ether"	"EPA_DSSTox"	"COCCOCCO"	"?"	"InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3"	"SBASXUCJHJRPEV-UHFFFAOYSA-N"	FALSE	TRUE	5500	4	5
"111-80-8"	"DTXSID3047639"	"Methyl 2-nonynoate"	"EPA_DSSTox"	"CCCCCCC#CC(=O)OC"	"?"	"InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-7H2,1-2H3"	"NTLJTUMJJWVCTL-UHFFFAOYSA-N"	FALSE	TRUE	2220	3	5
"111-81-9"	"DTXSID5046566"	"Methyl 10-undecenoate"	"EPA_DSSTox"	"COC(=O)CCCCCCCCC=C"	"?"	"InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3"	"KISVAASFGZJBCY-UHFFFAOYSA-N"	FALSE	FALSE	1563	3	4
"111-82-0"	"DTXSID5026889"	"Methyl dodecanoate"	"EPA_DSSTox"	"CCCCCCCCCCCC(=O)OC"	"?"	"InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3"	"UQDUPQYQJKYHQI-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"111-85-3"	"DTXSID0021543"	"1-Chlorooctane"	"EPA_DSSTox"	"CCCCCCCCCl"	"?"	"InChI=1S/C8H17Cl/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3"	"CNDHHGUSRIZDSL-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"111-86-4"	"DTXSID8021939"	"1-Octanamine"	"EPA_DSSTox"	"CCCCCCCCN"	"?"	"InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3"	"IOQPZZOEVPZRBK-UHFFFAOYSA-N"	FALSE	FALSE	315	2	4
"111-87-5"	"DTXSID7021940"	"1-Octanol"	"EPA_DSSTox"	"CCCCCCCCO"	"?"	"InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3"	"KBPLFHHGFOOTCA-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"111-90-0"	"DTXSID2021941"	"2-(2-Ethoxyethoxy)ethanol"	"EPA_DSSTox"	"CCOCCOCCO"	"?"	"InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3"	"XXJWXESWEXIICW-UHFFFAOYSA-N"	FALSE	TRUE	5570	4	5
"111-91-1"	"DTXSID4023917"	"Bis(2-chloroethoxy)methane"	"EPA_DSSTox"	"ClCCOCOCCCl"	"?"	"InChI=1S/C5H10Cl2O2/c6-1-3-8-5-9-4-2-7/h1-5H2"	"NLXGURFLBLRZRO-UHFFFAOYSA-N"	FALSE	FALSE	65	2	3
"111-92-2"	"DTXSID7024952"	"N-Butyl-1-butanamine"	"EPA_DSSTox"	"CCCCNCCCC"	"?"	"InChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3"	"JQVDAXLFBXTEQA-UHFFFAOYSA-N"	FALSE	FALSE	189	2	3
"111-94-4"	"DTXSID2041464"	"3,3'-Iminobispropanenitrile"	"EPA_DSSTox"	"N#CCCNCCC#N"	"?"	"InChI=1S/C6H9N3/c7-3-1-5-9-6-2-4-8/h9H,1-2,5-6H2"	"SBAJRGRUGUQKAF-UHFFFAOYSA-N"	FALSE	TRUE	2700	3	5
"111-96-6"	"DTXSID1024621"	"Bis(2-methoxyethyl) ether"	"EPA_DSSTox"	"COCCOCCOC"	"?"	"InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3"	"SBZXBUIDTXKZTM-UHFFFAOYSA-N"	FALSE	TRUE	4760	3	5
"111-97-7"	"DTXSID9026899"	"3,3'-Thiodipropionitrile"	"EPA_DSSTox"	"N#CCCSCCC#N"	"?"	"InChI=1S/C6H8N2S/c7-3-1-5-9-6-2-4-8/h1-2,5-6H2"	"NDVLTZFQVDXFAN-UHFFFAOYSA-N"	FALSE	TRUE	4210	3	5
"111038-37-0"	NA	NA	"Public_CrossChecked"	"CC(C)NCC(O)COC1C=CC(=CC=1)c1c(c(=O)oc2cc(ccc21)OC)C1C=CC=CC=1"	"?"	"InChI=1S/C28H29NO5/c1-18(2)29-16-21(30)17-33-22-11-9-20(10-12-22)26-24-14-13-23(32-3)15-25(24)34-28(31)27(26)19-7-5-4-6-8-19/h4-15,18,21,29-30H,16-17H2,1-3H3"	"BLQSVYLPNWHPKH-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"111038-42-7"	NA	NA	"Public_CrossChecked"	"CC(C)NCC(O)COC1=CC=C(C=C1)C1=C(C2=CC=CC=C2)C(C)(C)OC2=CC(=CC=C12)OC"	"?"	"InChI=1S/C30H35NO4/c1-20(2)31-18-23(32)19-34-24-13-11-21(12-14-24)28-26-16-15-25(33-5)17-27(26)35-30(3,4)29(28)22-9-7-6-8-10-22/h6-17,20,23,31-32H,18-19H2,1-5H3"	"WVDUMAJZPBMODC-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"111038-47-2"	NA	NA	"Public_CrossChecked"	"COC1=CC2OC(C)(C)C(C(C=2C=C1)C1C=CC(=CC=1)OCC1CO1)C1C=CC=CC=1"	"?"	"InChI=1S/C27H28O4/c1-27(2)26(19-7-5-4-6-8-19)25(23-14-13-21(28-3)15-24(23)31-27)18-9-11-20(12-10-18)29-16-22-17-30-22/h4-15,22,25-26H,16-17H2,1-3H3"	"IISXXZMZLSKUTJ-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"1111-78-0"	"DTXSID9027360"	"Ammonium carbamate"	"EPA_DSSTox"	"NC(O)=O"	"[NH4+]"	"InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)"	"KXDHJXZQYSOELW-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"11115-82-5"	"DTXSID60891416"	"Enramycin"	"EPA_DSSTox"	"CCC(C)CCCCC=CC=CC(=O)NC(CC(O)=O)C(=O)NC1C(C)OC(=O)C(NC(=O)C(C)NC(=O)C(CC2CNC(N)=N2)NC(=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(NC(=O)C(CC2CNC(N)=N2)NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)N(CCCCN)C(=O)C(NC1=O)C1C=CC(O)=CC=1)C(C)O)C1C=CC(O)=CC=1)C1C=CC(O)=CC=1)C(C)O)C1C=CC(O)=CC=1)C1=CC(Cl)=C(O)C(Cl)=C1)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C107H138Cl2N26O31/c1-7-51(2)17-12-10-8-9-11-13-19-76(144)120-74(47-77(145)146)92(152)126-80-55(6)166-102(162)86(60-28-38-68(143)39-29-60)132-88(148)52(3)117-90(150)73(46-63-49-116-104(112)119-63)124-106(164)134-100(160)84(61-43-69(108)87(147)70(109)44-61)128-93(153)75(50-136)123-97(157)81(56-20-30-64(139)31-21-56)127-91(151)72(45-62-48-115-103(111)118-62)122-89(149)71(18-16-41-114-105(113)163)121-94(154)78(53(4)137)125-98(158)82(57-22-32-65(140)33-23-57)130-99(159)83(58-24-34-66(141)35-25-58)129-95(155)79(54(5)138)133-107(165)135(42-15-14-40-110)101(161)85(131-96(80)156)59-26-36-67(142)37-27-59/h9,11,13,19-39,43-44,51-55,62-63,71-75,78-86,136-143,147H,7-8,10,12,14-18,40-42,45-50,110H2,1-6H3,(H,117,150)(H,120,144)(H,121,154)(H,122,149)(H,123,157)(H,125,158)(H,126,152)(H,127,151)(H,128,153)(H,129,155)(H,130,159)(H,131,156)(H,132,148)(H,133,165)(H,145,146)(H3,111,115,118)(H3,112,116,119)(H3,113,114,163)(H2,124,134,160,164)"	"QKXQEKZXVMLAMO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"111199-28-1"	"DTXSID70149531"	"Thiazolo(4,5-c)quinoline, monohydrochloride"	"EPA_DSSTox"	"C1=NC2C=NC3C=CC=CC=3C=2S1"	"Cl"	"InChI=1S/C10H6N2S/c1-2-4-8-7(3-1)10-9(5-11-8)12-6-13-10/h1-6H"	"OWHMGQJEHHCWCJ-UHFFFAOYSA-N"	FALSE	FALSE	350	2	4
"111199-29-2"	"DTXSID30149532"	"Thiazolo(4,5-c)quinoline, monoethanesulfonate"	"EPA_DSSTox"	"C1=NC2C=NC3C=CC=CC=3C=2S1"	"S(O)(=O)(=O)CC"	"InChI=1S/C10H6N2S/c1-2-4-8-7(3-1)10-9(5-11-8)12-6-13-10/h1-6H"	"OWHMGQJEHHCWCJ-UHFFFAOYSA-N"	FALSE	FALSE	290	2	3
"111223-26-8"	"DTXSID80891418"	"Ceronapril"	"EPA_DSSTox"	"NCCCCC(OP(O)(=O)CCCCC1C=CC=CC=1)C(=O)N1CCCC1C(O)=O"	"?"	"InChI=1S/C21H33N2O6P/c22-14-6-4-13-19(20(24)23-15-8-12-18(23)21(25)26)29-30(27,28)16-7-5-11-17-9-2-1-3-10-17/h1-3,9-10,18-19H,4-8,11-16,22H2,(H,25,26)(H,27,28)"	"IFYLTXNCFVRALQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"11126-42-4"	NA	NA	"Public_CrossChecked"	"ClC1C=C(C=C(Cl)C=1Cl)C1=C(Cl)C(Cl)=C(C=C1Cl)C1C=C(Cl)C=C(Cl)C=1Cl"	"?"	"InChI=1S/C18H5Cl9/c19-7-3-8(15(24)13(23)4-7)9-5-10(20)14(18(27)16(9)25)6-1-11(21)17(26)12(22)2-6/h1-5H"	"PPBRFJLRPRQPEC-UHFFFAOYSA-N"	FALSE	TRUE	19200	4	5
"1113-01-5"	"DTXSID40149583"	"Phosphorodithioic acid, O,O-dimethyl S-carboxymethyl ester"	"EPA_DSSTox"	"COP(=S)(OC)SCC(O)=O"	"?"	"InChI=1S/C4H9O4PS2/c1-7-9(10,8-2)11-3-4(5)6/h3H2,1-2H3,(H,5,6)"	"OGCAJUKWNJKZFV-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"1113-02-6"	"DTXSID4037580"	"Omethoate"	"EPA_DSSTox"	"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"	TRUE	FALSE	25	1	2
"1113-10-6"	"DTXSID0023115"	"Guancydine"	"EPA_DSSTox"	"CCC(C)(C)N/C(/N)=N/C#N"	"?"	"InChI=1S/C7H14N4/c1-4-7(2,3)11-6(9)10-5-8/h4H2,1-3H3,(H3,9,10,11)"	"VZVGEDRCVUKSEL-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"11138-60-6"	"DTXSID9027734"	"Decanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol octanoate"	"EPA_DSSTox"	"CCC(COC(=O)CCCCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC"	"?"	"InChI=1S/C32H60O6/c1-5-9-12-15-16-19-22-25-31(35)38-28-32(8-4,26-36-29(33)23-20-17-13-10-6-2)27-37-30(34)24-21-18-14-11-7-3/h5-28H2,1-4H3"	"SRVFLHGEWWJTBH-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1114-71-2"	"DTXSID8021199"	"Pebulate"	"EPA_DSSTox"	"CCN(CCCC)C(=O)SCCC"	"?"	"InChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3"	"SGEJQUSYQTVSIU-UHFFFAOYSA-N"	FALSE	FALSE	921	3	4
"11141-17-6"	"DTXSID0037497"	"Azadirachtin"	"EPA_DSSTox"	"CC=C(C)C(=O)OC1CC(OC(C)=O)C2(COC3C2C21COC(O)(C2C(C)(C3O)C12OC1(C)C1CC2OC2OC=CC21O)C(=O)OC)C(=O)OC"	"?"	"InChI=1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3"	"FTNJWQUOZFUQQJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"111453-32-8"	"DTXSID40473936"	"AGN-PC-00GZVS"	"EPA_DSSTox"	"NC1C(I)=C(C(=O)NCC(O)CO)C(I)=C(C=1I)C(O)=O"	"?"	"InChI=1S/C11H11I3N2O5/c12-6-4(10(19)16-1-3(18)2-17)7(13)9(15)8(14)5(6)11(20)21/h3,17-18H,1-2,15H2,(H,16,19)(H,20,21)"	"URFBLIYCWAORDM-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"111479-05-1"	"DTXSID8057934"	"Propaquizafop"	"EPA_DSSTox"	"CC(C)=NOCCOC(=O)C(C)OC1C=CC(=CC=1)OC1=CN=C2C=C(Cl)C=CC2=N1"	"?"	"InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3"	"FROBCXTULYFHEJ-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"1115-70-4"	"DTXSID9037246"	"Metformin hydrochloride"	"EPA_DSSTox"	"[H]/N=C(\N)/N/C(=N/[H])/N(C)C"	"Cl"	"InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)"	"XZWYZXLIPXDOLR-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"1115-84-0"	"DTXSID80274005"	"L-Methylmethionine sulfonium chloride"	"EPA_DSSTox"	"C[S+](C)CCC(N)C(O)=O"	"[Cl-]"	"InChI=1S/C6H13NO2S/c1-10(2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3/p+1"	"YDBYJHTYSHBBAU-UHFFFAOYSA-O"	FALSE	TRUE	NA	4	5
"1116-54-7"	"DTXSID7021027"	"N-Nitrosodiethanolamine"	"EPA_DSSTox"	"OCCN(CCO)N=O"	"?"	"InChI=1S/C4H10N2O3/c7-3-1-6(5-9)2-4-8/h7-8H,1-4H2"	"YFCDLVPYFMHRQZ-UHFFFAOYSA-N"	FALSE	TRUE	7500	4	5
"111686-79-4"	"DTXSID9045683"	"Remacemide hydrochloride"	"EPA_DSSTox"	"CC(CC1C=CC=CC=1)(NC(=O)CN)C1C=CC=CC=1"	"Cl"	"InChI=1S/C17H20N2O/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12-13,18H2,1H3,(H,19,20)"	"YSGASDXSLKIKOD-UHFFFAOYSA-N"	FALSE	FALSE	897	3	4
"111687-36-6"	"DTXSID8029573"	"Ferrate(1-), [[N,N'-1,3-propanediylbis[N-[(carboxy-.kappa.O)methyl]glycinato-.kappa.N,.kappa.O]](4-)]-, ammonium, (OC-6-21)-"	"EPA_DSSTox"	"OC(=O)N(CC(O)=O)CCCN(C(O)=O)C(O)=O"	"[Fe+3].[NH4+]"	"InChI=1S/C8H12N2O8/c11-5(12)4-9(6(13)14)2-1-3-10(7(15)16)8(17)18/h1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)"	"FTDFSULOBTXNTE-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"1117-55-1"	"DTXSID8047636"	"Hexyl octanoate"	"EPA_DSSTox"	"CCCCCCCC(=O)OCCCCCC"	"?"	"InChI=1S/C14H28O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h3-13H2,1-2H3"	"PBGWNXWNCSSXCO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1117-86-8"	"DTXSID9036646"	"1,2-Octanediol"	"EPA_DSSTox"	"CCCCCCC(O)CO"	"?"	"InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3"	"AEIJTFQOBWATKX-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"111753-73-2"	"DTXSID00149721"	"Satigrel"	"EPA_DSSTox"	"COC1C=CC(=CC=1)C(C1C=CC(=CC=1)OC)=C(CCC(O)=O)C#N"	"?"	"InChI=1S/C20H19NO4/c1-24-17-8-3-14(4-9-17)20(16(13-21)7-12-19(22)23)15-5-10-18(25-2)11-6-15/h3-6,8-11H,7,12H2,1-2H3,(H,22,23)"	"GRVCTHTXJDYIHB-UHFFFAOYSA-N"	FALSE	FALSE	337	2	4
"111757-17-6"	NA	NA	"Public_CrossChecked"	"CCCN(CCC)C=NC1CC=CC(=O)N=1"	"?"	"InChI=1S/C12H19N3O/c1-3-8-15(9-4-2)10-13-11-6-5-7-12(16)14-11/h5,7,10H,3-4,6,8-9H2,1-2H3"	"PESCSXDFOZEXOI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1118-39-4"	"DTXSID4047416"	"2-methyl-6-methylideneoct-7-en-2-yl acetate"	"EPA_DSSTox"	"CC(=O)OC(C)(C)CCCC(=C)C=C"	"?"	"InChI=1S/C12H20O2/c1-6-10(2)8-7-9-12(4,5)14-11(3)13/h6H,1-2,7-9H2,3-5H3"	"DCXXKSXLKWAZNO-UHFFFAOYSA-N"	FALSE	TRUE	6300	4	5
"1118-92-9"	"DTXSID9027364"	"N,N-Dimethyloctanamide"	"EPA_DSSTox"	"CCCCCCCC(=O)N(C)C"	"?"	"InChI=1S/C10H21NO/c1-4-5-6-7-8-9-10(12)11(2)3/h4-9H2,1-3H3"	"VHRUBWHAOUIMDW-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"111855-65-3"	"DTXSID90149750"	"Undecanoic acid, 11-(((2-benzoyl-4-chlorophenyl)sulfonyl)amino)-"	"EPA_DSSTox"	"OC(=O)CCCCCCCCCCNS(=O)(=O)C1C=CC(Cl)=CC=1C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C24H30ClNO5S/c25-20-15-16-22(21(18-20)24(29)19-12-8-7-9-13-19)32(30,31)26-17-11-6-4-2-1-3-5-10-14-23(27)28/h7-9,12-13,15-16,18,26H,1-6,10-11,14,17H2,(H,27,28)"	"QPBVNXQLWDMODP-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"111856-34-9"	"DTXSID70149753"	"Benzenesulfonamide, 2-benzoyl-N-(3-(4-morpholinyl)propyl)-4-nitro-"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC(=C(C=C1)S(=O)(=O)NCCCN1CCOCC1)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C20H23N3O6S/c24-20(16-5-2-1-3-6-16)18-15-17(23(25)26)7-8-19(18)30(27,28)21-9-4-10-22-11-13-29-14-12-22/h1-3,5-8,15,21H,4,9-14H2"	"GZSDUSAOJIOEBM-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"1119-34-2"	"DTXSID20883650"	"L-Arginine, hydrochloride (1:1)"	"EPA_DSSTox"	"NC(=N)NCCCC(N)C(O)=O"	"Cl"	"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)"	"ODKSFYDXXFIFQN-UHFFFAOYSA-N"	FALSE	TRUE	12000	4	5
"1119-97-7"	"DTXSID0044367"	"Tetradonium bromide"	"EPA_DSSTox"	"CCCCCCCCCCCCCC[N+](C)(C)C"	"[Br-]"	"InChI=1S/C17H38N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4/h5-17H2,1-4H3/q+1"	"GLFDLEXFOHUASB-UHFFFAOYSA-N"	FALSE	TRUE	3900	3	5
"111988-49-9"	"DTXSID7034961"	"Thiacloprid"	"EPA_DSSTox"	"N#CN=C1SCCN1CC1C=CC(Cl)=NC=1"	"?"	"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"	"HOKKPVIRMVDYPB-UHFFFAOYSA-N"	FALSE	FALSE	285	2	3
"112-02-7"	"DTXSID6026901"	"Hexadecyl trimethyl ammonium chloride"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCC[N+](C)(C)C"	"[Cl-]"	"InChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1"	"RLGQACBPNDBWTB-UHFFFAOYSA-N"	FALSE	FALSE	450	2	4
"112-05-0"	"DTXSID3021641"	"Nonanoic acid"	"EPA_DSSTox"	"CCCCCCCCC(O)=O"	"?"	"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)"	"FBUKVWPVBMHYJY-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"112-06-1"	"DTXSID9047124"	"Heptyl acetate"	"EPA_DSSTox"	"CCCCCCCOC(C)=O"	"?"	"InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3"	"ZCZSIDMEHXZRLG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"112-07-2"	"DTXSID1026904"	"2-Butoxyethyl acetate"	"EPA_DSSTox"	"CCCCOCCOC(C)=O"	"?"	"InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3"	"NQBXSWAWVZHKBZ-UHFFFAOYSA-N"	FALSE	FALSE	1880	3	4
"112-11-8"	"DTXSID9059412"	"9-Octadecenoic acid (9Z)-, 1-methylethyl ester"	"EPA_DSSTox"	"CCCCCCCCC=CCCCCCCCC(=O)OC(C)C"	"?"	"InChI=1S/C21H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h11-12,20H,4-10,13-19H2,1-3H3"	"PZQSQRCNMZGWFT-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"112-12-9"	"DTXSID2021943"	"2-Undecanone"	"EPA_DSSTox"	"CCCCCCCCCC(C)=O"	"?"	"InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3"	"KYWIYKKSMDLRDC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"112-14-1"	"DTXSID8044202"	"Octyl acetate"	"EPA_DSSTox"	"CCCCCCCCOC(C)=O"	"?"	"InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3"	"YLYBTZIQSIBWLI-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"112-17-4"	"DTXSID8047189"	"Decyl acetate"	"EPA_DSSTox"	"CCCCCCCCCCOC(C)=O"	"?"	"InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-11H2,1-2H3"	"NUPSHWCALHZGOV-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"112-25-4"	"DTXSID1026908"	"2-(Hexyloxy)ethanol"	"EPA_DSSTox"	"CCCCCCOCCO"	"?"	"InChI=1S/C8H18O2/c1-2-3-4-5-7-10-8-6-9/h9H,2-8H2,1H3"	"UPGSWASWQBLSKZ-UHFFFAOYSA-N"	FALSE	FALSE	830	3	4
"112-26-5"	"DTXSID8047000"	"1,2-Bis(2-chloroethoxy)ethane"	"EPA_DSSTox"	"ClCCOCCOCCCl"	"?"	"InChI=1S/C6H12Cl2O2/c7-1-3-9-5-6-10-4-2-8/h1-6H2"	"AGYUOJIYYGGHKV-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"112-27-6"	"DTXSID4021393"	"Triethylene glycol"	"EPA_DSSTox"	"OCCOCCOCCO"	"?"	"InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2"	"ZIBGPFATKBEMQZ-UHFFFAOYSA-N"	FALSE	TRUE	17000	4	5
"112-29-8"	"DTXSID9051581"	"1-Bromodecane"	"EPA_DSSTox"	"CCCCCCCCCCBr"	"?"	"InChI=1S/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3"	"MYMSJFSOOQERIO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"112-31-2"	"DTXSID4021553"	"Decanal"	"EPA_DSSTox"	"CCCCCCCCCC=O"	"?"	"InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3"	"KSMVZQYAVGTKIV-UHFFFAOYSA-N"	FALSE	TRUE	3730	3	5
"112-34-5"	"DTXSID8021519"	"2-(2-Butoxyethoxy)ethanol"	"EPA_DSSTox"	"CCCCOCCOCCO"	"?"	"InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3"	"OAYXUHPQHDHDDZ-UHFFFAOYSA-N"	FALSE	TRUE	5080	4	5
"112-35-6"	"DTXSID5026912"	"2-[2-(2-Methoxyethoxy)ethoxy]ethanol"	"EPA_DSSTox"	"COCCOCCOCCO"	"?"	"InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3"	"JLGLQAWTXXGVEM-UHFFFAOYSA-N"	FALSE	TRUE	11300	4	5
"112-36-7"	"DTXSID3025047"	"Diethylene glycol diethyl ether"	"EPA_DSSTox"	"CCOCCOCCOCC"	"?"	"InChI=1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3"	"RRQYJINTUHWNHW-UHFFFAOYSA-N"	FALSE	TRUE	4970	3	5
"112-38-9"	"DTXSID8035001"	"10-Undecenoic acid"	"EPA_DSSTox"	"C=CCCCCCCCCC(O)=O"	"?"	"InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)"	"FRPZMMHWLSIFAZ-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"112-40-3"	"DTXSID0026913"	"Dodecane"	"EPA_DSSTox"	"CCCCCCCCCCCC"	"?"	"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3"	"SNRUBQQJIBEYMU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"112-43-6"	"DTXSID4059419"	"10-Undecen-1-ol"	"EPA_DSSTox"	"C=CCCCCCCCCCO"	"?"	"InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,12H,1,3-11H2"	"GIEMHYCMBGELGY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"112-44-7"	"DTXSID4021688"	"Undecanal"	"EPA_DSSTox"	"CCCCCCCCCCC=O"	"?"	"InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3"	"KMPQYAYAQWNLME-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"112-45-8"	"DTXSID3037757"	"Undec-10-enal"	"EPA_DSSTox"	"C=CCCCCCCCCC=O"	"?"	"InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,11H,1,3-10H2"	"OFHHDSQXFXLTKC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"112-48-1"	"DTXSID5074268"	"Ethylene glycol dibutyl ether"	"EPA_DSSTox"	"CCCCOCCOCCCC"	"?"	"InChI=1S/C10H22O2/c1-3-5-7-11-9-10-12-8-6-4-2/h3-10H2,1-2H3"	"GDXHBFHOEYVPED-UHFFFAOYSA-N"	FALSE	TRUE	3250	3	5
"112-50-5"	"DTXSID3024368"	"2-[2-(2-Ethoxyethoxy)ethoxy]ethanol"	"EPA_DSSTox"	"CCOCCOCCOCCO"	"?"	"InChI=1S/C8H18O4/c1-2-10-5-6-12-8-7-11-4-3-9/h9H,2-8H2,1H3"	"WFSMVVDJSNMRAR-UHFFFAOYSA-N"	FALSE	TRUE	7750	4	5
"112-53-8"	"DTXSID5026918"	"1-Dodecanol"	"EPA_DSSTox"	"CCCCCCCCCCCCO"	"?"	"InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3"	"LQZZUXJYWNFBMV-UHFFFAOYSA-N"	FALSE	TRUE	12800	4	5
"112-56-1"	"DTXSID6024674"	"2-(2-Butoxyethoxy)ethyl thiocyanate"	"EPA_DSSTox"	"CCCCOCCOCCSC#N"	"?"	"InChI=1S/C9H17NO2S/c1-2-3-4-11-5-6-12-7-8-13-9-10/h2-8H2,1H3"	"JVGPVVUTUMQJKL-UHFFFAOYSA-N"	FALSE	FALSE	90	2	3
"112-57-2"	"DTXSID7026108"	"Tetraethylenepentamine"	"EPA_DSSTox"	"NCCNCCNCCNCCN"	"?"	"InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2"	"FAGUFWYHJQFNRV-UHFFFAOYSA-N"	FALSE	TRUE	2100	3	5
"112-59-4"	"DTXSID4026921"	"2-[2-(Hexyloxy)ethoxy]ethanol"	"EPA_DSSTox"	"CCCCCCOCCOCCO"	"?"	"InChI=1S/C10H22O3/c1-2-3-4-5-7-12-9-10-13-8-6-11/h11H,2-10H2,1H3"	"GZMAAYIALGURDQ-UHFFFAOYSA-N"	FALSE	TRUE	2400	3	5
"112-61-8"	"DTXSID2047640"	"Methyl stearate"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCC(=O)OC"	"?"	"InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3"	"HPEUJPJOZXNMSJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"112-69-6"	"DTXSID9026924"	"Dimethylcetylamine"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCN(C)C"	"?"	"InChI=1S/C18H39N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h4-18H2,1-3H3"	"NHLUVTZJQOJKCC-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"112-70-9"	"DTXSID2021947"	"1-Tridecanol"	"EPA_DSSTox"	"CCCCCCCCCCCCCO"	"?"	"InChI=1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3"	"XFRVVPUIAFSTFO-UHFFFAOYSA-N"	FALSE	TRUE	17200	4	5
"112-72-1"	"DTXSID9026926"	"1-Tetradecanol"	"EPA_DSSTox"	"CCCCCCCCCCCCCCO"	"?"	"InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3"	"HLZKNKRTKFSKGZ-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"112-75-4"	"DTXSID4026927"	"N,N-Dimethyltetradecylamine"	"EPA_DSSTox"	"CCCCCCCCCCCCCCN(C)C"	"?"	"InChI=1S/C16H35N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h4-16H2,1-3H3"	"SFBHPFQSSDCYSL-UHFFFAOYSA-N"	FALSE	FALSE	1320	3	4
"112-76-5"	"DTXSID9051583"	"Octadecanoyl chloride"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCC(=O)Cl"	"?"	"InChI=1S/C18H35ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3"	"WTBAHSZERDXKKZ-UHFFFAOYSA-N"	FALSE	TRUE	7500	4	5
"112-82-3"	"DTXSID2049397"	"Hexadecane,1-bromo-"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCBr"	"?"	"InChI=1S/C16H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3"	"HNTGIJLWHDPAFN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"112-84-5"	"DTXSID4026929"	"Erucamide"	"EPA_DSSTox"	"CCCCCCCCC=CCCCCCCCCCCCC(N)=O"	"?"	"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)"	"UAUDZVJPLUQNMU-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"112-85-6"	"DTXSID3026930"	"Docosanoic acid"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCCCCCC(O)=O"	"?"	"InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)"	"UKMSUNONTOPOIO-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"112-91-4"	"DTXSID3026934"	"9-Octadecenenitrile, (9Z)-"	"EPA_DSSTox"	"CCCCCCCCC=CCCCCCCCC#N"	"?"	"InChI=1S/C18H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-17H2,1H3"	"UIAMCVSNZQYIQS-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"112-92-5"	"DTXSID8026935"	"1-Octadecanol"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCCO"	"?"	"InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3"	"GLDOVTGHNKAZLK-UHFFFAOYSA-N"	FALSE	TRUE	20000	4	5
"112-95-8"	"DTXSID1025227"	"Eicosane"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCCCC"	"?"	"InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3"	"CBFCDTFDPHXCNY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"112-98-1"	"DTXSID3059424"	"5,8,11,14,17-Pentaoxaheneicosane"	"EPA_DSSTox"	"CCCCOCCOCCOCCOCCOCCCC"	"?"	"InChI=1S/C16H34O5/c1-3-5-7-17-9-11-19-13-15-21-16-14-20-12-10-18-8-6-4-2/h3-16H2,1-2H3"	"MQGIBEAIDUOVOH-UHFFFAOYSA-N"	FALSE	TRUE	6500	4	5
"1120-10-1"	"DTXSID20149804"	"Nonanoic acid, 9-chloro-"	"EPA_DSSTox"	"OC(=O)CCCCCCCCCl"	"?"	"InChI=1S/C9H17ClO2/c10-8-6-4-2-1-3-5-7-9(11)12/h1-8H2,(H,11,12)"	"DFJLDESPZKERQH-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"1120-21-4"	"DTXSID9021689"	"Undecane"	"EPA_DSSTox"	"CCCCCCCCCCC"	"?"	"InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3"	"RSJKGSCJYJTIGS-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1120-24-7"	"DTXSID1049566"	"Decyldimethylamine"	"EPA_DSSTox"	"CCCCCCCCCCN(C)C"	"?"	"InChI=1S/C12H27N/c1-4-5-6-7-8-9-10-11-12-13(2)3/h4-12H2,1-3H3"	"YWWNNLPSZSEZNZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1120-71-4"	"DTXSID8021195"	"1,3-Propane sultone"	"EPA_DSSTox"	"O=S1(=O)CCCO1"	"?"	"InChI=1S/C3H6O3S/c4-7(5)3-1-2-6-7/h1-3H2"	"FSSPGSAQUIYDCN-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"1121-07-9"	"DTXSID40149902"	"2,5-Pyrrolidinedione, 1-methyl-"	"EPA_DSSTox"	"CN1C(=O)CCC1=O"	"?"	"InChI=1S/C5H7NO2/c1-6-4(7)2-3-5(6)8/h2-3H2,1H3"	"KYEACNNYFNZCST-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"112143-77-8"	"DTXSID7023980"	"Chlorsulfuron"	"EPA_DSSTox"	"CC1N=C(N=C(NC(=O)NS(=O)(=O)C2C=CC=CC=2Cl)N=1)OC"	"?"	"InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)"	"VJYIFXVZLXQVHO-UHFFFAOYSA-N"	FALSE	TRUE	9366	4	5
"112143-82-5"	"DTXSID5034307"	"Triazamate"	"EPA_DSSTox"	"CN(C)C(=O)N1N=C(N=C1SCC(=O)OCC)C(C)(C)C"	"?"	"InChI=1S/C13H22N4O3S/c1-7-20-9(18)8-21-11-14-10(13(2,3)4)15-17(11)12(19)16(5)6/h7-8H2,1-6H3"	"NKNFWVNSBIXGLL-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"1122-58-3"	"DTXSID0044369"	"N,N-dimethylpyridin-4-amine"	"EPA_DSSTox"	"CN(C)C1C=CN=CC=1"	"?"	"InChI=1S/C7H10N2/c1-9(2)7-3-5-8-6-4-7/h3-6H,1-2H3"	"VHYFNPMBLIVWCW-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"1122-62-9"	"DTXSID7024409"	"2-Acetylpyridine"	"EPA_DSSTox"	"CC(=O)C1=CC=CC=N1"	"?"	"InChI=1S/C7H7NO/c1-6(9)7-4-2-3-5-8-7/h2-5H,1H3"	"AJKVQEKCUACUMD-UHFFFAOYSA-N"	FALSE	TRUE	2280	3	5
"112226-61-6"	"DTXSID4032619"	"Halofenozide"	"EPA_DSSTox"	"CC(C)(C)N(NC(=O)C1C=CC(Cl)=CC=1)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C18H19ClN2O2/c1-18(2,3)21(17(23)14-7-5-4-6-8-14)20-16(22)13-9-11-15(19)12-10-13/h4-12H,1-3H3,(H,20,22)"	"CNKHSLKYRMDDNQ-UHFFFAOYSA-N"	FALSE	TRUE	2850	3	5
"112281-77-3"	"DTXSID8034956"	"Tetraconazole"	"EPA_DSSTox"	"FC(F)C(F)(F)OCC(CN1C=NC=N1)C1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2"	"LQDARGUHUSPFNL-UHFFFAOYSA-N"	FALSE	FALSE	1031	3	4
"1123-25-7"	"DTXSID10149979"	"1-Methylcyclohexanecarboxylic acid"	"EPA_DSSTox"	"CC1(CCCCC1)C(O)=O"	"?"	"InChI=1S/C8H14O2/c1-8(7(9)10)5-3-2-4-6-8/h2-6H2,1H3,(H,9,10)"	"REHQLKUNRPCYEW-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"1123-85-9"	"DTXSID8037756"	"2-Phenylpropan-1-ol"	"EPA_DSSTox"	"CC(CO)C1C=CC=CC=1"	"?"	"InChI=1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3"	"RNDNSYIPLPAXAZ-UHFFFAOYSA-N"	FALSE	TRUE	2300	3	5
"112344-52-2"	"DTXSID70874896"	"FLOBUFEN"	"EPA_DSSTox"	"CC(CC(=O)C1C=CC(=CC=1)C1=CC=C(F)C=C1F)C(O)=O"	"?"	"InChI=1S/C17H14F2O3/c1-10(17(21)22)8-16(20)12-4-2-11(3-5-12)14-7-6-13(18)9-15(14)19/h2-7,9-10H,8H2,1H3,(H,21,22)"	"FIKVYIRIUOFLLR-UHFFFAOYSA-N"	FALSE	FALSE	134	2	3
"1124-11-4"	"DTXSID6047070"	"Tetramethylpyrazine"	"EPA_DSSTox"	"CC1N=C(C)C(C)=NC=1C"	"?"	"InChI=1S/C8H12N2/c1-5-6(2)10-8(4)7(3)9-5/h1-4H3"	"FINHMKGKINIASC-UHFFFAOYSA-N"	FALSE	FALSE	1910	3	4
"1124-33-0"	"DTXSID9041524"	"4-Nitropyridine-1-oxide"	"EPA_DSSTox"	"[O-][N+]1C=CC(=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C5H4N2O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H"	"RXKNNAKAVAHBNK-UHFFFAOYSA-N"	FALSE	FALSE	107	2	3
"1124-54-5"	"DTXSID20150031"	"Carbamic acid, cyclohexyl ester"	"EPA_DSSTox"	"NC(=O)OC1CCCCC1"	"?"	"InChI=1S/C7H13NO2/c8-7(9)10-6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9)"	"AUELWJRRASQDKI-UHFFFAOYSA-N"	FALSE	TRUE	2200	3	5
"112457-95-1"	NA	NA	"Public_CrossChecked"	"O=C1C2C(C3CC2CC3)C(=O)N1CCCCN1CCN(CC1)C1N=CC=CN=1"	"C(C(=O)O)C(CC(=O)O)(C(=O)O)O"	"InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2"	"CEIJFEGBUDEYSX-UHFFFAOYSA-N"	FALSE	FALSE	590	3	4
"1125-85-5"	NA	NA	"Public_CrossChecked"	"O=C1NCC2C=CC=CC=2O1"	"?"	"InChI=1S/C8H7NO2/c10-8-9-5-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,9,10)"	"OOYREISBUILOLV-UHFFFAOYSA-N"	FALSE	FALSE	1050	3	4
"1125-88-8"	"DTXSID5061538"	"Benzene, (dimethoxymethyl)-"	"EPA_DSSTox"	"COC(OC)C1C=CC=CC=1"	"?"	"InChI=1S/C9H12O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3"	"HEVMDQBCAHEHDY-UHFFFAOYSA-N"	FALSE	FALSE	1220	3	4
"1126-78-9"	"DTXSID9044370"	"N-Butylaniline"	"EPA_DSSTox"	"CCCCNC1C=CC=CC=1"	"?"	"InChI=1S/C10H15N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3"	"VSHTWPWTCXQLQN-UHFFFAOYSA-N"	FALSE	FALSE	1620	3	4
"112668-63-0"	"DTXSID40150134"	"4H-Pyrido(1,2-a)pyrimidine-3-acetic acid, 9-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)-4-oxo-"	"EPA_DSSTox"	"CC(=O)C1C=CC(OCC2=CC=CN3C2=NC=C(CC(O)=O)C3=O)=C(CCC)C=1O"	"?"	"InChI=1S/C22H22N2O6/c1-3-5-17-18(8-7-16(13(2)25)20(17)28)30-12-14-6-4-9-24-21(14)23-11-15(22(24)29)10-19(26)27/h4,6-9,11,28H,3,5,10,12H2,1-2H3,(H,26,27)"	"AHEKJZJJBQLTDU-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"112668-65-2"	"DTXSID00150135"	"4H-Pyrido(1,2-a)pyrimidine-3-propanoic acid, 9-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)-4-oxo-"	"EPA_DSSTox"	"CC(=O)C1C=CC(OCC2=CC=CN3C2=NC=C(CCC(O)=O)C3=O)=C(CCC)C=1O"	"?"	"InChI=1S/C23H24N2O6/c1-3-5-18-19(9-8-17(14(2)26)21(18)29)31-13-16-6-4-11-25-22(16)24-12-15(23(25)30)7-10-20(27)28/h4,6,8-9,11-12,29H,3,5,7,10,13H2,1-2H3,(H,27,28)"	"NMGAUISTCJYFBC-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"112733-06-9"	"DTXSID0047296"	"Zenarestat"	"EPA_DSSTox"	"OC(=O)CN1C2C=C(Cl)C=CC=2C(=O)N(CC2C=CC(Br)=CC=2F)C1=O"	"?"	"InChI=1S/C17H11BrClFN2O4/c18-10-2-1-9(13(20)5-10)7-22-16(25)12-4-3-11(19)6-14(12)21(17(22)26)8-15(23)24/h1-6H,7-8H2,(H,23,24)"	"SXONDGSPUVNZLO-UHFFFAOYSA-N"	FALSE	TRUE	4250	3	5
"1128-08-1"	"DTXSID4051584"	"Dihydrojasmone"	"EPA_DSSTox"	"CC1CCC(=O)C=1CCCCC"	"?"	"InChI=1S/C11H18O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h3-8H2,1-2H3"	"YCIXWYOBMVNGTB-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"112881-58-0"	"DTXSID00150195"	"1H-Pyrrolo(2,3-f)quinoline-2,7,9-tricarboxamide, 4,5-dihydro-N,N,N',N',N'',N''-hexamethyl-4,5-dioxo-"	"EPA_DSSTox"	"CN(C)C(=O)C1=CC2=C(N1)C1C(=NC(=CC=1C(=O)N(C)C)C(=O)N(C)C)C(=O)C2=O"	"?"	"InChI=1S/C20H21N5O5/c1-23(2)18(28)9-7-11(19(29)24(3)4)22-15-13(9)14-10(16(26)17(15)27)8-12(21-14)20(30)25(5)6/h7-8,21H,1-6H3"	"MQJRXCAANWGXFK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1129-41-5"	"DTXSID8057938"	"Metolcarb"	"EPA_DSSTox"	"CC1C=C(C=CC=1)O/C(/O)=N/C"	"?"	"InChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11)"	"VOEYXMAFNDNNED-UHFFFAOYSA-N"	FALSE	FALSE	268	2	3
"1129-42-6"	"DTXSID00883658"	"Urea, N-(hexahydro-6-methyl-2-oxo-4-pyrimidinyl)-"	"EPA_DSSTox"	"CC1CC(NC(N)=O)NC(=O)N1"	"?"	"InChI=1S/C6H12N4O2/c1-3-2-4(9-5(7)11)10-6(12)8-3/h3-4H,2H2,1H3,(H3,7,9,11)(H2,8,10,12)"	"CZAUMIGWDFREBR-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"113-00-8"	"DTXSID0023117"	"Guanidine"	"EPA_DSSTox"	"NC(N)=N"	"?"	"InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)"	"ZRALSGWEFCBTJO-UHFFFAOYSA-N"	FALSE	FALSE	475	2	4
"113-42-8"	"DTXSID1023283"	"Methergine"	"EPA_DSSTox"	"CCC(CO)NC(=O)C1CN(C)C2CC3=CNC4C=CC=C(C3=4)C2=C1"	"?"	"InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)"	"UNBRKDKAWYKMIV-UHFFFAOYSA-N"	FALSE	FALSE	93	2	3
"113-45-1"	"DTXSID5023299"	"Methylphenidate"	"EPA_DSSTox"	"COC(=O)C(C1CCCCN1)C1C=CC=CC=1"	"?"	"InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3"	"DUGOZIWVEXMGBE-UHFFFAOYSA-N"	FALSE	FALSE	367	2	4
"113-48-4"	"DTXSID6032562"	"MGK-264"	"EPA_DSSTox"	"CCC(CN1C(=O)C2C(C3CC2C=C3)C1=O)CCCC"	"?"	"InChI=1S/C17H25NO2/c1-3-5-6-11(4-2)10-18-16(19)14-12-7-8-13(9-12)15(14)17(18)20/h7-8,11-15H,3-6,9-10H2,1-2H3"	"WLLGXSLBOPFWQV-UHFFFAOYSA-N"	FALSE	TRUE	2800	3	5
"113-52-0"	"DTXSID7040738"	"Imipramine hydrochloride"	"EPA_DSSTox"	"CN(C)CCCN1C2C=CC=CC=2CCC2C=CC=CC1=2"	"Cl"	"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"	FALSE	FALSE	305	2	4
"113-53-1"	"DTXSID2022961"	"Dothiepin"	"EPA_DSSTox"	"CN(C)CCC=C1C2=CC=CC=C2CSC2C=CC=CC=21"	"?"	"InChI=1S/C19H21NS/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"	"PHTUQLWOUWZIMZ-UHFFFAOYSA-N"	FALSE	FALSE	450	2	4
"113-59-7"	"DTXSID4022810"	"Chlorprothixene"	"EPA_DSSTox"	"CN(C)CCC=C1C2=CC=CC=C2SC2C=CC(Cl)=CC=21"	"?"	"InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3"	"WSPOMRSOLSGNFJ-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"113-69-9"	NA	NA	"Public_CrossChecked"	"CC(=O)OC1CC2C3C=C(OC)C(=CC=3CCN2CC1C(=O)N(CC)CC)OC"	"Cl"	"InChI=1S/C22H32N2O5/c1-6-23(7-2)22(26)17-13-24-9-8-15-10-20(27-4)21(28-5)11-16(15)18(24)12-19(17)29-14(3)25/h10-11,17-19H,6-9,12-13H2,1-5H3"	"JSZILQVIPPROJI-UHFFFAOYSA-N"	FALSE	FALSE	990	3	4
"113-98-4"	"DTXSID7045106"	"Penicillin G potassium"	"EPA_DSSTox"	"CC1(C)SC2C(NC(=O)CC3C=CC=CC=3)C(=O)N2C1C(O)=O"	"[K+]"	"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"	FALSE	TRUE	8900	4	5
"1131-18-6"	"DTXSID6044517"	"3-Methyl-1-phenyl-1H-pyrazol-5-amine"	"EPA_DSSTox"	"CC1C=C(N)N(N=1)C1C=CC=CC=1"	"?"	"InChI=1S/C10H11N3/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h2-7H,11H2,1H3"	"FMKMKBLHMONXJM-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"113136-77-9"	"DTXSID5032600"	"Cyclanilide"	"EPA_DSSTox"	"OC(=O)C1(CC1)C(=O)NC1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C11H9Cl2NO3/c12-6-1-2-8(7(13)5-6)14-9(15)11(3-4-11)10(16)17/h1-2,5H,3-4H2,(H,14,15)(H,16,17)"	"GLWWLNJJJCTFMZ-UHFFFAOYSA-N"	FALSE	FALSE	208	2	3
"113139-67-6"	"DTXSID40150311"	"2(1H)-Pyrazinone, 5,6-dimethyl-3-(1-methylethyl)-, monohydrochloride"	"EPA_DSSTox"	"CC(C)C1=NC(C)=C(C)NC1=O"	"Cl"	"InChI=1S/C9H14N2O/c1-5(2)8-9(12)11-7(4)6(3)10-8/h5H,1-4H3,(H,11,12)"	"VUAFUBKZULTSCO-UHFFFAOYSA-N"	FALSE	FALSE	903	3	4
"113158-40-0"	"DTXSID2057940"	"Fenoxaprop-P"	"EPA_DSSTox"	"CC(OC1C=CC(=CC=1)OC1=NC2=CC=C(Cl)C=C2O1)C(O)=O"	"?"	"InChI=1S/C16H12ClNO5/c1-9(15(19)20)21-11-3-5-12(6-4-11)22-16-18-13-7-2-10(17)8-14(13)23-16/h2-9H,1H3,(H,19,20)"	"MPPOHAUSNPTFAJ-UHFFFAOYSA-N"	FALSE	TRUE	2090	3	5
"1132-39-4"	"DTXSID8061551"	"Diphenyl selenide"	"EPA_DSSTox"	"C1=CC=CC=C1[Se]C1C=CC=CC=1"	"?"	"InChI=1S/C12H10Se/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H"	"ORQWTLCYLDRDHK-UHFFFAOYSA-N"	FALSE	FALSE	360	2	4
"113296-13-2"	"DTXSID7073804"	"Methanesulfonamide, N-(2,4-difluorophenyl)-N-(3-pyridinylmethyl)-"	"EPA_DSSTox"	"CS(=O)(=O)N(CC1=CN=CC=C1)C1C=CC(F)=CC=1F"	"?"	"InChI=1S/C13H12F2N2O2S/c1-20(18,19)17(9-10-3-2-6-16-8-10)13-5-4-11(14)7-12(13)15/h2-8H,9H2,1H3"	"UPAMTXZAAYPTKS-UHFFFAOYSA-N"	FALSE	FALSE	1063	3	4
"1134-04-9"	"DTXSID0044781"	"2,3,4,5-Tetrachloro-6-(trichloromethyl)pyridine"	"EPA_DSSTox"	"ClC1N=C(C(Cl)=C(Cl)C=1Cl)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C6Cl7N/c7-1-2(8)4(6(11,12)13)14-5(10)3(1)9"	"YMBFWRZKTZICHS-UHFFFAOYSA-N"	FALSE	FALSE	1840	3	4
"1134-47-0"	"DTXSID5022641"	"Baclofen"	"EPA_DSSTox"	"NCC(CC(O)=O)C1C=CC(Cl)=CC=1"	"?"	"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"	FALSE	FALSE	145	2	3
"113614-08-7"	"DTXSID7057941"	"Beflubutamid"	"EPA_DSSTox"	"CCC(OC1C=C(C(F)=CC=1)C(F)(F)F)/C(/O)=N/CC1C=CC=CC=1"	"?"	"InChI=1S/C18H17F4NO2/c1-2-16(17(24)23-11-12-6-4-3-5-7-12)25-13-8-9-15(19)14(10-13)18(20,21)22/h3-10,16H,2,11H2,1H3,(H,23,24)"	"FFQPZWRNXKPNPX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"113658-85-8"	NA	NA	"Public_CrossChecked"	"CC1C(C(=O)OCCN2C(=O)C3C=CC=CC=3S2(=O)=O)C(C)=NC(C)=C1C(=O)OCC"	"?"	"InChI=1S/C21H24N2O7S/c1-5-29-20(25)17-12(2)18(14(4)22-13(17)3)21(26)30-11-10-23-19(24)15-8-6-7-9-16(15)31(23,27)28/h6-9,12,18H,5,10-11H2,1-4H3"	"DBMANTMUYWNQBF-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"113702-01-5"	"DTXSID00150534"	"Ergoline-8-methanol, 9,10-didehydro-1-(1,1-dimethylethyl)-6-methyl-, (8-beta)-"	"EPA_DSSTox"	"CN1CC(CO)C=C2C1CC1=CN(CCCC)C3=CC=CC2=C13"	"?"	"InChI=1S/C20H26N2O/c1-3-4-8-22-12-15-10-19-17(9-14(13-23)11-21(19)2)16-6-5-7-18(22)20(15)16/h5-7,9,12,14,19,23H,3-4,8,10-11,13H2,1-2H3"	"IOVBIZFHKHJTIA-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"113702-03-7"	"DTXSID60150535"	"Ergoline-8-methanol, 1-(1,1-dimethylethyl)-10-methoxy-6-methyl-, 5-bromo-3-pyridinecarboxylate(ester), (8-beta)-"	"EPA_DSSTox"	"CN1CC(CC2(OC)C1CC1=CN(CCCC)C3C=CC=C2C1=3)COC(=O)C1=CN=CC(Br)=C1"	"?"	"InChI=1S/C27H32BrN3O3/c1-4-5-9-31-16-20-11-24-27(33-3,22-7-6-8-23(31)25(20)22)12-18(15-30(24)2)17-34-26(32)19-10-21(28)14-29-13-19/h6-8,10,13-14,16,18,24H,4-5,9,11-12,15,17H2,1-3H3"	"TZNIJGYHPKDIBS-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"113702-04-8"	NA	NA	"Public_CrossChecked"	"CC(C)(C)N1C=C2CC3N(C)CC(COC4CCC(=O)C=4)CC3(OC)C3=CC=CC1=C23"	"?"	"InChI=1S/C26H34N2O3/c1-25(2,3)28-15-18-11-23-26(30-5,21-7-6-8-22(28)24(18)21)13-17(14-27(23)4)16-31-20-10-9-19(29)12-20/h6-8,12,15,17,23H,9-11,13-14,16H2,1-5H3"	"QCALDAVQGVOCOV-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"113702-05-9"	NA	NA	"Public_CrossChecked"	"CN1CC(CO)CC2C1CC1=CN(C3C=CC=C2C=31)C(C)(C)C"	"?"	"InChI=1S/C20H28N2O/c1-20(2,3)22-11-14-9-18-16(8-13(12-23)10-21(18)4)15-6-5-7-17(22)19(14)15/h5-7,11,13,16,18,23H,8-10,12H2,1-4H3"	"OHGWVWFNVFKRID-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"113885-32-8"	"DTXSID90150604"	"2-Pyrrolidinone, 1-(2-(decyloxy)ethyl)-"	"EPA_DSSTox"	"CCCCCCCCCCOCCN1CCCC1=O"	"?"	"InChI=1S/C16H31NO2/c1-2-3-4-5-6-7-8-9-14-19-15-13-17-12-10-11-16(17)18/h2-15H2,1H3"	"RHLYUADRNFFRNG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1139-30-6"	"DTXSID4051586"	"(-)Carophyllene oxide"	"EPA_DSSTox"	"CC1(C)CC2C1CCC1(C)OC1CCC2=C"	"?"	"InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3"	"NVEQFIOZRFFVFW-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"114-26-1"	"DTXSID7021948"	"Propoxur"	"EPA_DSSTox"	"CNC(=O)OC1=CC=CC=C1OC(C)C"	"?"	"InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)"	"ISRUGXGCCGIOQO-UHFFFAOYSA-N"	TRUE	FALSE	41	1	2
"114-49-8"	"DTXSID0032029"	"Scopolamine hydrobromide"	"EPA_DSSTox"	"CN1C2CC(CC1C1OC12)OC(=O)C(CO)C1C=CC=CC=1"	"Br"	"InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3"	"STECJAGHUSJQJN-UHFFFAOYSA-N"	FALSE	FALSE	1270	3	4
"114-80-7"	"DTXSID9041075"	"Neostigmine bromide"	"EPA_DSSTox"	"CN(C)C(=O)OC1C=C(C=CC=1)[N+](C)(C)C"	"[Br-]"	"InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1"	"ALWKGYPQUAPLQC-UHFFFAOYSA-N"	FALSE	FALSE	51	2	3
"114-86-3"	"DTXSID1023449"	"Phenformin"	"EPA_DSSTox"	"[H]/N=C(\N/C(/N)=N/[H])/NCCC1C=CC=CC=1"	"?"	"InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)"	"ICFJFFQQTFMIBG-UHFFFAOYSA-N"	FALSE	FALSE	650	3	4
"1141487-54-8"	"DTXSID20889273"	"Cyclohexanepentanol, .beta.-methyl-"	"EPA_DSSTox"	"CC(CO)CCCC1CCCCC1"	"?"	"InChI=1S/C12H24O/c1-11(10-13)6-5-9-12-7-3-2-4-8-12/h11-13H,2-10H2,1H3"	"IDGMBCFBOMJIMX-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"114311-32-9"	"DTXSID3034664"	"Imazamox"	"EPA_DSSTox"	"CC1(N=C(NC1=O)C1N=CC(COC)=CC=1C(O)=O)C(C)C"	"?"	"InChI=1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)"	"NUPJIGQFXCQJBK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"114369-43-6"	"DTXSID8032548"	"Fenbuconazole"	"EPA_DSSTox"	"N#CC(CN1C=NC=N1)(CCC1C=CC(Cl)=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2"	"RQDJADAKIFFEKQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"114460-08-1"	NA	NA	"Public_CrossChecked"	"CC1CC2=CC3OCOC=3C=C2C(N=N1)C1C=CC(N)=CC=1"	"?"	"InChI=1S/C17H17N3O2/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17(20-19-10)11-2-4-13(18)5-3-11/h2-5,7-8,10,17H,6,9,18H2,1H3"	"FJGWGHKAECZNBY-UHFFFAOYSA-N"	FALSE	FALSE	350	2	4
"1146-95-8"	"DTXSID5057622"	"Etifelmine hydrochloride"	"EPA_DSSTox"	"CCC(CN)=C(C1C=CC=CC=1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C17H19N/c1-2-14(13-18)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13,18H2,1H3"	"WNKCJOWTKXGERE-UHFFFAOYSA-N"	FALSE	FALSE	148	2	3
"114607-46-4"	"DTXSID3048732"	"Acitazanolast"	"EPA_DSSTox"	"OC(=O)C(=O)NC1C=CC=C(C=1)C1NN=NN=1"	"?"	"InChI=1S/C9H7N5O3/c15-8(9(16)17)10-6-3-1-2-5(4-6)7-11-13-14-12-7/h1-4H,(H,10,15)(H,16,17)(H,11,12,13,14)"	"VWQZJJZGISNFOE-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"114654-31-8"	NA	NA	"Public_CrossChecked"	"O=S1(=O)CC(CC1)NC(S)=S"	"?"	"InChI=1S/C5H9NO2S3/c7-11(8)2-1-4(3-11)6-5(9)10/h4H,1-3H2,(H2,6,9,10)"	"UEKOYEYXLALUCZ-UHFFFAOYSA-N"	FALSE	FALSE	1700	3	4
"114686-12-3"	"DTXSID70150829"	"Imitrodast"	"EPA_DSSTox"	"OC(=O)C1CCC2C=C(CN3C=NC=C3)SC=2C=1"	"?"	"InChI=1S/C13H12N2O2S/c16-13(17)10-2-1-9-5-11(18-12(9)6-10)7-15-4-3-14-8-15/h3-6,8H,1-2,7H2,(H,16,17)"	"KRBSZXUPPSXPAN-UHFFFAOYSA-N"	FALSE	FALSE	1880	3	4
"1147-41-7"	"DTXSID00150832"	"Benzoic acid, 6-benzoyl-3-methyl- (9CI)"	"EPA_DSSTox"	"CC1=CC(C(O)=O)=C(C=C1)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C15H12O3/c1-10-7-8-12(13(9-10)15(17)18)14(16)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18)"	"KNMXCIDAUYVUCS-UHFFFAOYSA-N"	FALSE	TRUE	5600	4	5
"1147-42-8"	"DTXSID60150833"	"Benzoic acid, 2-benzoyl-5-chloro-"	"EPA_DSSTox"	"OC(=O)C1C=C(Cl)C=CC=1C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C14H9ClO3/c15-10-6-7-11(12(8-10)14(17)18)13(16)9-4-2-1-3-5-9/h1-8H,(H,17,18)"	"LSVPCSOPJGPTNA-UHFFFAOYSA-N"	FALSE	TRUE	3700	3	5
"1147-62-2"	NA	NA	"Public_CrossChecked"	"CC1C=CC(=CC=1)C(=O)C(CCC)N1CCCC1"	"Cl"	"InChI=1S/C16H23NO/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3"	"SWUVZKWCOBGPTH-UHFFFAOYSA-N"	FALSE	FALSE	620	3	4
"114833-91-9"	"DTXSID40150876"	"Pyrimidine, 4,6-bis(1H-pyrazol-1-yl)-"	"EPA_DSSTox"	"C1=C(N=CN=C1N1C=CC=N1)N1C=CC=N1"	"?"	"InChI=1S/C10H8N6/c1-3-13-15(5-1)9-7-10(12-8-11-9)16-6-2-4-14-16/h1-8H"	"ITORZLJASZQARK-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"114834-06-9"	"DTXSID00150877"	"Pyrimidine, 4-(1H-imidazol-1-yl)-6-methoxy-"	"EPA_DSSTox"	"COC1C=C(N=CN=1)N1C=NC=C1"	"?"	"InChI=1S/C8H8N4O/c1-13-8-4-7(10-5-11-8)12-3-2-9-6-12/h2-6H,1H3"	"JZJJPJWXORKLGK-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"115-02-6"	"DTXSID9020118"	"Azaserine"	"EPA_DSSTox"	"NC(COC(=O)C=[N+]=N)C(O)=O"	"?"	"InChI=1S/C5H7N3O4/c6-3(5(10)11)2-12-4(9)1-8-7/h1,3,7H,2,6H2/p+1"	"LMTILILZEHPNAP-UHFFFAOYSA-O"	FALSE	FALSE	170	2	3
"115-17-3"	"DTXSID1021667"	"Tribromoacetaldehyde"	"EPA_DSSTox"	"O=CC(Br)(Br)Br"	"?"	"InChI=1S/C2HBr3O/c3-2(4,5)1-6/h1H"	"YTGSYRVSBPFKMQ-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"115-19-5"	"DTXSID2021949"	"2-Methyl-3-butyn-2-ol"	"EPA_DSSTox"	"CC(C)(O)C#C"	"?"	"InChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3"	"CEBKHWWANWSNTI-UHFFFAOYSA-N"	FALSE	FALSE	1420	3	4
"115-26-4"	"DTXSID8041870"	"Dimefox"	"EPA_DSSTox"	"CN(C)P(=O)(F)N(C)C"	"?"	"InChI=1S/C4H12FN2OP/c1-6(2)9(5,8)7(3)4/h1-4H3"	"PGJBQBDNXAZHBP-UHFFFAOYSA-N"	TRUE	FALSE	1	1	1
"115-29-7"	"DTXSID1020560"	"Endosulfan"	"EPA_DSSTox"	"O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl"	"?"	"InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2"	"RDYMFSUJUZBWLH-UHFFFAOYSA-N"	TRUE	FALSE	18	1	2
"115-33-3"	"DTXSID9023411"	"Oxyphenisatin acetate"	"EPA_DSSTox"	"CC(=O)OC1C=CC(=CC=1)C1(C2=CC=CC=C2NC1=O)C1C=CC(=CC=1)OC(C)=O"	"?"	"InChI=1S/C24H19NO5/c1-15(26)29-19-11-7-17(8-12-19)24(18-9-13-20(14-10-18)30-16(2)27)21-5-3-4-6-22(21)25-23(24)28/h3-14H,1-2H3,(H,25,28)"	"PHPUXYRXPHEJDF-UHFFFAOYSA-N"	FALSE	FALSE	1900	3	4
"115-37-7"	"DTXSID7046099"	"Thebaine"	"EPA_DSSTox"	"CN1CCC23C4OC5C2=C(CC1C3=CC=C4OC)C=CC=5OC"	"?"	"InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3"	"FQXXSQDCDRQNQE-UHFFFAOYSA-N"	FALSE	FALSE	114	2	3
"115-69-5"	"DTXSID7059430"	"1,3-Propanediol, 2-amino-2-methyl-"	"EPA_DSSTox"	"CC(N)(CO)CO"	"?"	"InChI=1S/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3"	"UXFQFBNBSPQBJW-UHFFFAOYSA-N"	FALSE	TRUE	17000	4	5
"115-70-8"	"DTXSID3029150"	"2-Amino-2-ethyl-1,3-propanediol"	"EPA_DSSTox"	"CCC(N)(CO)CO"	"?"	"InChI=1S/C5H13NO2/c1-2-5(6,3-7)4-8/h7-8H,2-4,6H2,1H3"	"IOAOAKDONABGPZ-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"115-78-6"	"DTXSID0041779"	"Chlorphonium chloride"	"EPA_DSSTox"	"CCCC[P+](CC1C=CC(Cl)=CC=1Cl)(CCCC)CCCC"	"[Cl-]"	"InChI=1S/C19H32Cl2P/c1-4-7-12-22(13-8-5-2,14-9-6-3)16-17-10-11-18(20)15-19(17)21/h10-11,15H,4-9,12-14,16H2,1-3H3/q+1"	"OAGIOQZKOZPWKF-UHFFFAOYSA-N"	FALSE	FALSE	178	2	3
"115-79-7"	"DTXSID3022582"	"Ambenonium chloride"	"EPA_DSSTox"	"CC[N+](CC1C=CC=CC=1Cl)(CCNC(=O)C(=O)NCC[N+](CC1C=CC=CC=1Cl)(CC)CC)CC"	"[Cl-].[Cl-]"	"InChI=1S/C28H40Cl2N4O2/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30/h9-16H,5-8,17-22H2,1-4H3/p+2"	"OMHBPUNFVFNHJK-UHFFFAOYSA-P"	TRUE	FALSE	18.5	1	2
"115-86-6"	"DTXSID1021952"	"Triphenyl phosphate"	"EPA_DSSTox"	"O=P(OC1C=CC=CC=1)(OC1C=CC=CC=1)OC1C=CC=CC=1"	"?"	"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"	FALSE	TRUE	3500	3	5
"115-90-2"	"DTXSID6021953"	"Fensulfothion"	"EPA_DSSTox"	"CS(=O)C1C=CC(=CC=1)OP(=S)(OCC)OCC"	"?"	"InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3"	"XDNBJTQLKCIJBV-UHFFFAOYSA-N"	TRUE	FALSE	1.8	1	1
"115-96-8"	"DTXSID5021411"	"Tris(2-chloroethyl) phosphate"	"EPA_DSSTox"	"O=P(OCCCl)(OCCCl)OCCCl"	"?"	"InChI=1S/C6H12Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H2"	"HQUQLFOMPYWACS-UHFFFAOYSA-N"	FALSE	FALSE	465.5	2	4
"115-98-0"	"DTXSID9051589"	"Bis(2-chloroethyl) vinylphosphonate"	"EPA_DSSTox"	"C=CP(=O)(OCCCl)OCCCl"	"?"	"InChI=1S/C6H11Cl2O3P/c1-2-12(9,10-5-3-7)11-6-4-8/h2H,1,3-6H2"	"LHHMNJZNWUJFOC-UHFFFAOYSA-N"	FALSE	FALSE	990	3	4
"1154-59-2"	"DTXSID4040767"	"3,5-Dichlorosalicyl-3,4-dichloroanilide"	"EPA_DSSTox"	"OC1=C(C=C(Cl)C=C1Cl)C(=O)NC1=CC(Cl)=C(Cl)C=C1"	"?"	"InChI=1S/C13H7Cl4NO2/c14-6-3-8(12(19)11(17)4-6)13(20)18-7-1-2-9(15)10(16)5-7/h1-5,19H,(H,18,20)"	"SJQBHPJLLIJASD-UHFFFAOYSA-N"	FALSE	FALSE	243	2	3
"1156-19-0"	"DTXSID3021358"	"Tolazamide"	"EPA_DSSTox"	"CC1C=CC(=CC=1)S(=O)(=O)NC(=O)NN1CCCCCC1"	"?"	"InChI=1S/C14H21N3O3S/c1-12-6-8-13(9-7-12)21(19,20)16-14(18)15-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)"	"OUDSBRTVNLOZBN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"115767-74-3"	NA	NA	"Public_CrossChecked"	"CCC(=C(C1C=CC(=CC=1)OCCN(C)C)C1C=CC(=CC=1)OP(O)(O)=O)C1C=CC(=CC=1)C(C)C"	"?"	"InChI=1S/C29H36NO5P/c1-6-28(23-9-7-22(8-10-23)21(2)3)29(25-13-17-27(18-14-25)35-36(31,32)33)24-11-15-26(16-12-24)34-20-19-30(4)5/h7-18,21H,6,19-20H2,1-5H3,(H2,31,32,33)"	"QZUHFMXJZOUZFI-UHFFFAOYSA-N"	FALSE	FALSE	785	3	4
"115895-09-5"	"DTXSID80888883"	"Benzoic acid, 3,5-dichloro-4-[[(hexadecyloxy)carbonyl]oxy]-, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)C1=CC(Cl)=C(OC(=O)OCCCCCCCCCCCCCCCC)C(Cl)=C1"	"?"	"InChI=1S/C26H40Cl2O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32-26(30)33-24-22(27)19-21(20-23(24)28)25(29)31-4-2/h19-20H,3-18H2,1-2H3"	"DFMGMJBWBQNZNK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"115960-14-0"	"DTXSID90151237"	"Hidrosmin"	"EPA_DSSTox"	"CC1OC(OCC2OC(OC3=CC4OC(=CC(=O)C=4C(=C3)OCCO)C3=CC(O)=C(C=C3)OC)C(O)C(O)C2O)C(O)C(O)C1O"	"?"	"InChI=1S/C30H36O16/c1-12-23(34)25(36)27(38)29(43-12)42-11-21-24(35)26(37)28(39)30(46-21)44-14-8-19(41-6-5-31)22-16(33)10-18(45-20(22)9-14)13-3-4-17(40-2)15(32)7-13/h3-4,7-10,12,21,23-32,34-39H,5-6,11H2,1-2H3"	"XYFLWVOTXWXNAM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"116-02-9"	"DTXSID9041815"	"3,3,5-Trimethylcyclohexanol"	"EPA_DSSTox"	"CC1CC(O)CC(C)(C)C1"	"?"	"InChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3"	"BRRVXFOKWJKTGG-UHFFFAOYSA-N"	FALSE	TRUE	3250	3	5
"116-06-3"	"DTXSID0039223"	"Aldicarb"	"EPA_DSSTox"	"CNC(=O)ON=CC(C)(C)SC"	"?"	"InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)"	"QGLZXHRNAYXIBU-UHFFFAOYSA-N"	TRUE	FALSE	0.5	1	1
"116-16-5"	"DTXSID7021601"	"Hexachloroacetone"	"EPA_DSSTox"	"O=C(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C3Cl6O/c4-2(5,6)1(10)3(7,8)9"	"DOJXGHGHTWFZHK-UHFFFAOYSA-N"	FALSE	FALSE	240	2	3
"116-29-0"	"DTXSID7021316"	"Tetradifon"	"EPA_DSSTox"	"O=S(=O)(C1=CC(Cl)=C(Cl)C=C1Cl)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C12H6Cl4O2S/c13-7-1-3-8(4-2-7)19(17,18)12-6-10(15)9(14)5-11(12)16/h1-6H"	"MLGCXEBRWGEOQX-UHFFFAOYSA-N"	FALSE	FALSE	566	3	4
"116-66-5"	"DTXSID6044519"	"1,1,3,3,5-Pentamethyl-4,6-dinitro-2,3-dihydro-1H-indene"	"EPA_DSSTox"	"CC1C(=CC2=C(C=1[N+]([O-])=O)C(C)(C)CC2(C)C)[N+]([O-])=O"	"?"	"InChI=1S/C14H18N2O4/c1-8-10(15(17)18)6-9-11(12(8)16(19)20)14(4,5)7-13(9,2)3/h6H,7H2,1-5H3"	"UHWURQRPEIFIAK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"116-75-6"	"DTXSID3051593"	"C.I. Solvent Blue 104"	"EPA_DSSTox"	"CC1=CC(C)=C(NC2=CC=C(NC3C(C)=CC(C)=CC=3C)C3=C2C(=O)C2=CC=CC=C2C3=O)C(C)=C1"	"?"	"InChI=1S/C32H30N2O2/c1-17-13-19(3)29(20(4)14-17)33-25-11-12-26(34-30-21(5)15-18(2)16-22(30)6)28-27(25)31(35)23-9-7-8-10-24(23)32(28)36/h7-16,33-34H,1-6H3"	"DMDRBXCDTZRMHZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"116020-44-1"	NA	NA	"Public_CrossChecked"	"CCCC1CCC(CC1)C1CCC(CC1)C=C"	"?"	"InChI=1S/C17H30/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h4,14-17H,2-3,5-13H2,1H3"	"KHDBEDDPFRHGCN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1162-65-8"	"DTXSID9020035"	"Aflatoxin B1"	"EPA_DSSTox"	"COC1=CC2OC3OC=CC3C=2C2OC(=O)C3=C(CCC3=O)C1=2"	"?"	"InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3"	"OQIQSTLJSLGHID-UHFFFAOYSA-N"	TRUE	FALSE	4.8	1	1
"116255-48-2"	"DTXSID9032531"	"Bromuconazole"	"EPA_DSSTox"	"ClC1C=C(Cl)C(=CC=1)C1(CC(Br)CO1)CN1C=NC=N1"	"?"	"InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2"	"HJJVPARKXDDIQD-UHFFFAOYSA-N"	FALSE	FALSE	328	2	4
"116287-13-9"	"DTXSID4048856"	"Lanperisone hydrochloride"	"EPA_DSSTox"	"CC(CN1CCCC1)C(=O)C1C=CC(=CC=1)C(F)(F)F"	"?"	"InChI=1S/C15H18F3NO/c1-11(10-19-8-2-3-9-19)14(20)12-4-6-13(7-5-12)15(16,17)18/h4-7,11H,2-3,8-10H2,1H3"	"RYZCWZZJFAKYHX-UHFFFAOYSA-N"	FALSE	FALSE	525	3	4
"116288-88-1"	"DTXSID30151332"	"1,8-Naphthyridin-2(1H)-one, 3-methyl-1-phenyl-"	"EPA_DSSTox"	"CC1=CC2C=CC=NC=2N(C1=O)C1C=CC=CC=1"	"?"	"InChI=1S/C15H12N2O/c1-11-10-12-6-5-9-16-14(12)17(15(11)18)13-7-3-2-4-8-13/h2-10H,1H3"	"GCEGMROSUYCLTO-UHFFFAOYSA-N"	FALSE	FALSE	256	2	3
"1163-36-6"	"DTXSID9045136"	"Clemizole hydrochloride"	"EPA_DSSTox"	"ClC1=CC=C(CN2C3C=CC=CC=3N=C2CN2CCCC2)C=C1"	"Cl"	"InChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2"	"CJXAEXPPLWQRFR-UHFFFAOYSA-N"	FALSE	FALSE	1950	3	4
"116337-58-7"	"DTXSID10151355"	"3H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-"	"EPA_DSSTox"	"O=C(C1C=CC=CC=1)C1=CC2OCC(=O)NC=2C=C1"	"?"	"InChI=1S/C15H11NO3/c17-14-9-19-13-8-11(6-7-12(13)16-14)15(18)10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)"	"TZRNVVWHEHJLOL-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"116337-60-1"	"DTXSID70151356"	"2H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-2,2-dimethyl-"	"EPA_DSSTox"	"CC1(C)OC2C=C(C=CC=2NC1=O)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C17H15NO3/c1-17(2)16(20)18-13-9-8-12(10-14(13)21-17)15(19)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,20)"	"NLLZZPGHXJYMGH-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"116337-62-3"	"DTXSID90151358"	"2H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-2,2,4-trimethyl-"	"EPA_DSSTox"	"CN1C2C=CC(=CC=2OC(C)(C)C1=O)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C18H17NO3/c1-18(2)17(21)19(3)14-10-9-13(11-15(14)22-18)16(20)12-7-5-4-6-8-12/h4-11H,1-3H3"	"HDUWAEYGYCUILD-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"116337-63-4"	"DTXSID50151359"	"2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-"	"EPA_DSSTox"	"O=C(C1=CC2OCC(=O)NC=2C=C1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C15H10ClNO3/c16-11-4-1-9(2-5-11)15(19)10-3-6-12-13(7-10)20-8-14(18)17-12/h1-7H,8H2,(H,17,18)"	"BBUISRBREJZENZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"116337-65-6"	"DTXSID60151360"	"2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2-dimethyl-"	"EPA_DSSTox"	"CC1(C)OC2C=C(C=CC=2NC1=O)C(=O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C17H14ClNO3/c1-17(2)16(21)19-13-8-5-11(9-14(13)22-17)15(20)10-3-6-12(18)7-4-10/h3-9H,1-2H3,(H,19,21)"	"FRPVMVHZCPWTES-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"116337-68-9"	"DTXSID80151362"	"2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2,4-trimethyl-"	"EPA_DSSTox"	"CN1C2C=CC(=CC=2OC(C)(C)C1=O)C(=O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C18H16ClNO3/c1-18(2)17(22)20(3)14-9-6-12(10-15(14)23-18)16(21)11-4-7-13(19)8-5-11/h4-10H,1-3H3"	"JTZYHYPTKLPZJX-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"116337-71-4"	"DTXSID00151364"	"2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-4-methyl-"	"EPA_DSSTox"	"CC(=O)C1=CC2OCC(=O)N(C)C=2C=C1"	"?"	"InChI=1S/C11H11NO3/c1-7(13)8-3-4-9-10(5-8)15-6-11(14)12(9)2/h3-5H,6H2,1-2H3"	"XTLDCEGIZIGZTI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"116337-72-5"	"DTXSID60151365"	"2H-1,4-Benzoxazin-3(4H)-one, 2,2-dimethyl-7-(1-oxobutyl)-"	"EPA_DSSTox"	"CCCC(=O)C1=CC2OC(C)(C)C(=O)NC=2C=C1"	"?"	"InChI=1S/C14H17NO3/c1-4-5-11(16)9-6-7-10-12(8-9)18-14(2,3)13(17)15-10/h6-8H,4-5H2,1-3H3,(H,15,17)"	"JURWDUYEOLKWQH-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"116337-75-8"	"DTXSID80151367"	"2H-1,4-Benzoxazin-3(4H)-one, 7-(1-oxobutyl)-2,2,4-trimethyl-"	"EPA_DSSTox"	"CCCC(=O)C1=CC2OC(C)(C)C(=O)N(C)C=2C=C1"	"?"	"InChI=1S/C15H19NO3/c1-5-6-12(17)10-7-8-11-13(9-10)19-15(2,3)14(18)16(11)4/h7-9H,5-6H2,1-4H3"	"ULIINUOUHATVLQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1164-92-7"	NA	NA	"Public_CrossChecked"	"CC(=O)OC1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C"	"?"	"InChI=1S/C21H32O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h14,16-19H,4-12H2,1-3H3"	"ILCTUFVQFCIIDS-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"116476-14-3"	NA	NA	"Public_CrossChecked"	"COC1C=CC(OCCCN(C)CCOC2=CC3OCOC=3C=C2)=C(C=1)C1SC2C=CC=CC=2N(C)C1=O"	"C(=C/C(=O)O)\C(=O)O"	"InChI=1S/C29H32N2O6S/c1-30(14-16-34-21-10-12-25-26(18-21)37-19-36-25)13-6-15-35-24-11-9-20(33-3)17-22(24)28-29(32)31(2)23-7-4-5-8-27(23)38-28/h4-5,7-12,17-18,28H,6,13-16,19H2,1-3H3"	"RKXVEXUAWGRFNP-UHFFFAOYSA-N"	FALSE	FALSE	206	2	3
"1165-48-6"	"DTXSID0048268"	"Dimefline"	"EPA_DSSTox"	"CC1C(=O)C2C=CC(OC)=C(CN(C)C)C=2OC=1C1C=CC=CC=1"	"?"	"InChI=1S/C20H21NO3/c1-13-18(22)15-10-11-17(23-4)16(12-21(2)3)20(15)24-19(13)14-8-6-5-7-9-14/h5-11H,12H2,1-4H3"	"ZXFQRFXLFWWKLX-UHFFFAOYSA-N"	TRUE	FALSE	40	1	2
"116666-63-8"	"DTXSID8044204"	"Mibefradil dihydrochloride"	"EPA_DSSTox"	"CC(C)C1C2C=CC(F)=CC=2CCC1(CCN(C)CCCC1NC2C=CC=CC=2N=1)OC(=O)COC"	"Cl.Cl"	"InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)"	"HBNPJJILLOYFJU-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"1169-26-2"	NA	NA	"Public_CrossChecked"	"O=C1CCCCC1(CCN1CCCCCC1)C(=O)OCC1C=CC=CC=1"	"Cl"	"InChI=1S/C22H31NO3/c24-20-12-6-7-13-22(20,14-17-23-15-8-1-2-9-16-23)21(25)26-18-19-10-4-3-5-11-19/h3-5,10-11H,1-2,6-9,12-18H2"	"JGAVKVSEQOCHBG-UHFFFAOYSA-N"	FALSE	FALSE	450	2	4
"116970-50-4"	"DTXSID70151614"	"5-Isoquinolinesulfonamide, N-(2-aminoethyl)-, monohydrochloride"	"EPA_DSSTox"	"NCCNS(=O)(=O)C1=CC=CC2C=NC=CC=21"	"Cl"	"InChI=1S/C11H13N3O2S/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11/h1-4,6,8,14H,5,7,12H2"	"DCVZSHVZGVWQKV-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"116979-29-4"	NA	NA	"Public_CrossChecked"	"CN1CC(CC2C1CC1=CNC3C=CC=C2C1=3)C1C=CN(C)N=1"	"?"	"InChI=1S/C19H22N4/c1-22-11-13(16-6-7-23(2)21-16)8-15-14-4-3-5-17-19(14)12(10-20-17)9-18(15)22/h3-7,10,13,15,18,20H,8-9,11H2,1-2H3"	"RHODJOABWUAPEL-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"116979-30-7"	NA	NA	"Public_CrossChecked"	"CN1CC(CC2C1CC1=CNC3=CC=CC2=C13)C1=CC=NO1"	"?"	"InChI=1S/C18H19N3O/c1-21-10-12(17-5-6-20-22-17)7-14-13-3-2-4-15-18(13)11(9-19-15)8-16(14)21/h2-6,9,12,14,16,19H,7-8,10H2,1H3"	"XBXFSFKTKZNKTE-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"116979-31-8"	NA	NA	"Public_CrossChecked"	"CN1CC(CC2C1CC1=CNC3=CC=CC2=C13)C1C=CON=1"	"?"	"InChI=1S/C18H19N3O/c1-21-10-12(15-5-6-22-20-15)7-14-13-3-2-4-16-18(13)11(9-19-16)8-17(14)21/h2-6,9,12,14,17,19H,7-8,10H2,1H3"	"QUGQNUBWNFKOCK-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"116979-33-0"	NA	NA	"Public_CrossChecked"	"CN1CC(CC2C1CC1=CNC3=CC=CC2=C13)C1=CC=NN1C1C=CC=CC=1"	"?"	"InChI=1S/C24H24N4/c1-27-15-17(22-10-11-26-28(22)18-6-3-2-4-7-18)12-20-19-8-5-9-21-24(19)16(14-25-21)13-23(20)27/h2-11,14,17,20,23,25H,12-13,15H2,1H3"	"GMSDPGKDEIKUIM-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"116979-34-1"	NA	NA	"Public_CrossChecked"	"CN1CC(CC2C1CC1=CNC3=CC=CC2=C13)C1C=CN(N=1)C1C=CC=CC=1"	"?"	"InChI=1S/C24H24N4/c1-27-15-17(21-10-11-28(26-21)18-6-3-2-4-7-18)12-20-19-8-5-9-22-24(19)16(14-25-22)13-23(20)27/h2-11,14,17,20,23,25H,12-13,15H2,1H3"	"QJOHKAINHDDQNF-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"117-08-8"	"DTXSID7026102"	"Tetrachlorophthalic anhydride"	"EPA_DSSTox"	"O=C1OC(=O)C2=C1C(Cl)=C(Cl)C(Cl)=C2Cl"	"?"	"InChI=1S/C8Cl4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11"	"AUHHYELHRWCWEZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"117-26-0"	"DTXSID1041687"	"Bulan"	"EPA_DSSTox"	"CCC(C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1)[N+]([O-])=O"	"?"	"InChI=1S/C16H15Cl2NO2/c1-2-15(19(20)21)16(11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,15-16H,2H2,1H3"	"SXLBEAVIHFLZQB-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"117-27-1"	"DTXSID9041443"	"2-Nitro-1,1-bis(p-chlorophenyl)propane"	"EPA_DSSTox"	"CC(C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1)[N+]([O-])=O"	"?"	"InChI=1S/C15H13Cl2NO2/c1-10(18(19)20)15(11-2-6-13(16)7-3-11)12-4-8-14(17)9-5-12/h2-10,15H,1H3"	"JCWVUDIGEJLVPS-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"117-34-0"	"DTXSID0059453"	"Benzeneacetic acid, .alpha.-phenyl-"	"EPA_DSSTox"	"OC(=O)C(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)"	"PYHXGXCGESYPCW-UHFFFAOYSA-N"	FALSE	TRUE	5540	4	5
"117-52-2"	"DTXSID3041798"	"Coumafuryl"	"EPA_DSSTox"	"CC(=O)CC(C1=C(O)C2C=CC=CC=2OC1=O)C1=CC=CO1"	"?"	"InChI=1S/C17H14O5/c1-10(18)9-12(13-7-4-8-21-13)15-16(19)11-5-2-3-6-14(11)22-17(15)20/h2-8,12,19H,9H2,1H3"	"JFIXKFSJCQNGEK-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"117-55-5"	"DTXSID70151654"	"1,5-Naphthalenedisulfonic acid, 4-amino-"	"EPA_DSSTox"	"NC1=CC=C(C2C=CC=C(C=21)S(O)(=O)=O)S(O)(=O)=O"	"?"	"InChI=1S/C10H9NO6S2/c11-7-4-5-8(18(12,13)14)6-2-1-3-9(10(6)7)19(15,16)17/h1-5H,11H2,(H,12,13,14)(H,15,16,17)"	"PHZVGKMVVKFBCX-UHFFFAOYSA-N"	FALSE	TRUE	56000	4	5
"117-62-4"	"DTXSID0045040"	"2-Aminonaphthalene-1,5-disulfonic acid"	"EPA_DSSTox"	"NC1C=CC2C(=CC=CC=2S(O)(=O)=O)C=1S(O)(=O)=O"	"?"	"InChI=1S/C10H9NO6S2/c11-8-5-4-6-7(10(8)19(15,16)17)2-1-3-9(6)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)"	"YAIKCRUPEVOINQ-UHFFFAOYSA-N"	FALSE	TRUE	5430	4	5
"117-79-3"	"DTXSID6020068"	"2-Aminoanthraquinone"	"EPA_DSSTox"	"NC1=CC2=C(C=C1)C(=O)C1C=CC=CC=1C2=O"	"?"	"InChI=1S/C14H9NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15H2"	"XOGPDSATLSAZEK-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"117-80-6"	"DTXSID7020425"	"Dichlone"	"EPA_DSSTox"	"O=C1C2C=CC=CC=2C(=O)C(Cl)=C1Cl"	"?"	"InChI=1S/C10H4Cl2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H"	"SVPKNMBRVBMTLB-UHFFFAOYSA-N"	FALSE	FALSE	160	2	3
"117-81-7"	"DTXSID5020607"	"Di(2-ethylhexyl) phthalate"	"EPA_DSSTox"	"CCCCC(COC(=O)C1C=CC=CC=1C(=O)OCC(CCCC)CC)CC"	"?"	"InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3"	"BJQHLKABXJIVAM-UHFFFAOYSA-N"	FALSE	TRUE	30000	4	5
"117-82-8"	"DTXSID8025094"	"Di(2-methoxyethyl) phthalate"	"EPA_DSSTox"	"COCCOC(=O)C1C=CC=CC=1C(=O)OCCOC"	"?"	"InChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3"	"HSUIVCLOAAJSRE-UHFFFAOYSA-N"	FALSE	TRUE	4400	3	5
"117-84-0"	"DTXSID1021956"	"Dioctyl phthalate"	"EPA_DSSTox"	"CCCCCCCCOC(=O)C1C=CC=CC=1C(=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"	FALSE	TRUE	47000	4	5
"117337-19-6"	"DTXSID2032556"	"Fluthiacet-methyl"	"EPA_DSSTox"	"COC(=O)CSC1C=C(N=C2SC(=O)N3CCCCN32)C(F)=CC=1Cl"	"?"	"InChI=1S/C15H15ClFN3O3S2/c1-23-13(21)8-24-12-7-11(10(17)6-9(12)16)18-14-19-4-2-3-5-20(19)15(22)25-14/h6-7H,2-5,8H2,1H3"	"ZCNQYNHDVRPZIH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"117378-04-8"	"DTXSID1073810"	"1H-Pyrazole-4-carboxylic acid, 1-(3-methylphenyl)-5-(methylsulfonyl)-, ethyl ester"	"EPA_DSSTox"	"CC1C=C(C=CC=1)N1N=CC(C(=O)OCC)=C1S(C)(=O)=O"	"?"	"InChI=1S/C14H16N2O4S/c1-4-20-14(17)12-9-15-16(13(12)21(3,18)19)11-7-5-6-10(2)8-11/h5-9H,4H2,1-3H3"	"BNNQDLLALJEUMD-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"1174-83-0"	NA	NA	"Public_CrossChecked"	"COP(=S)(OC1C=CC(=CC=1)S(=O)(=O)C1C=CC(=CC=1)OP(=S)(OC)OC)OC"	"?"	"InChI=1S/C16H20O8P2S3/c1-19-25(27,20-2)23-13-5-9-15(10-6-13)29(17,18)16-11-7-14(8-12-16)24-26(28,21-3)22-4/h5-12H,1-4H3"	"ZFHDDQUVNSDLLJ-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"117428-22-5"	"DTXSID9047542"	"Picoxystrobin"	"EPA_DSSTox"	"COC(=O)C(=COC)C1=CC=CC=C1COC1C=CC=C(N=1)C(F)(F)F"	"?"	"InChI=1S/C18H16F3NO4/c1-24-11-14(17(23)25-2)13-7-4-3-6-12(13)10-26-16-9-5-8-15(22-16)18(19,20)21/h3-9,11H,10H2,1-2H3"	"IBSNKSODLGJUMQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1174627-68-9"	"DTXSID40889275"	"Pentanoic acid, 5-(dimethylamino)-2-methyl-5-oxo-, methyl ester"	"EPA_DSSTox"	"COC(=O)C(C)CCC(=O)N(C)C"	"?"	"InChI=1S/C9H17NO3/c1-7(9(12)13-4)5-6-8(11)10(2)3/h7H,5-6H2,1-4H3"	"WEFZXWJJPHGTTN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"117467-28-4"	"DTXSID2048743"	"Cefditorin pivoxil"	"EPA_DSSTox"	"CC1N=CSC=1C=CC1CSC2C(NC(=O)C(=NOC)C3=CSC(N)=N3)C(=O)N2C=1C(=O)OCOC(=O)C(C)(C)C"	"?"	"InChI=1S/C25H28N6O7S3/c1-12-15(41-10-27-12)7-6-13-8-39-21-17(29-19(32)16(30-36-5)14-9-40-24(26)28-14)20(33)31(21)18(13)22(34)37-11-38-23(35)25(2,3)4/h6-7,9-10,17,21H,8,11H2,1-5H3,(H2,26,28)(H,29,32)"	"AFZFFLVORLEPPO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"117568-24-8"	"DTXSID40151823"	"9(10H)-Anthracenone, 10-(acetyloxy)-1,8-dihydroxy-"	"EPA_DSSTox"	"CC(=O)OC1C2C=CC=C(O)C=2C(=O)C2=C1C=CC=C2O"	"?"	"InChI=1S/C16H12O5/c1-8(17)21-16-9-4-2-6-11(18)13(9)15(20)14-10(16)5-3-7-12(14)19/h2-7,16,18-19H,1H3"	"RVNNHFOSBVBNIE-UHFFFAOYSA-N"	FALSE	FALSE	347	2	4
"1176-08-5"	"DTXSID5047790"	"Phenyltoloxamine citrate"	"EPA_DSSTox"	"CN(C)CCOC1C=CC=CC=1CC1C=CC=CC=1"	"C(C(O)=O)(CC(O)=O)(O)CC(=O)O"	"InChI=1S/C17H21NO/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3"	"IZRPKIZLIFYYKR-UHFFFAOYSA-N"	FALSE	FALSE	1472	3	4
"117617-70-6"	"DTXSID40151843"	"Octyldichloropropyl phosphate"	"EPA_DSSTox"	"CCCCCCCCOP(O)(=O)OCCC(Cl)Cl"	"?"	"InChI=1S/C11H23Cl2O4P/c1-2-3-4-5-6-7-9-16-18(14,15)17-10-8-11(12)13/h11H,2-10H2,1H3,(H,14,15)"	"LEYKLJDREJGQML-UHFFFAOYSA-N"	FALSE	TRUE	10300	4	5
"117666-82-7"	NA	NA	"Public_CrossChecked"	"CCOC(=S)C=CC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C11H11ClOS/c1-2-13-11(14)8-5-9-3-6-10(12)7-4-9/h3-8H,2H2,1H3"	"IYTWIYGKVNBNOP-UHFFFAOYSA-N"	FALSE	FALSE	950	3	4
"117666-83-8"	NA	NA	"Public_CrossChecked"	"COC1=CC=C(C=CC(=S)OCC)C=C1"	"?"	"InChI=1S/C12H14O2S/c1-3-14-12(15)9-6-10-4-7-11(13-2)8-5-10/h4-9H,3H2,1-2H3"	"HAHBKJDUUXHAAR-UHFFFAOYSA-N"	FALSE	FALSE	930	3	4
"117666-84-9"	NA	NA	"Public_CrossChecked"	"CCOC(=S)C=CC1=CC(OC)=C(C=C1)OC"	"?"	"InChI=1S/C13H16O3S/c1-4-16-13(17)8-6-10-5-7-11(14-2)12(9-10)15-3/h5-9H,4H2,1-3H3"	"DVCRFDXBPOALAU-UHFFFAOYSA-N"	FALSE	FALSE	980	3	4
"117666-86-1"	NA	NA	"Public_CrossChecked"	"CCOC(=S)C=CC1=CC(OC)=C(OC)C(=C1)OC"	"?"	"InChI=1S/C14H18O4S/c1-5-18-13(19)7-6-10-8-11(15-2)14(17-4)12(9-10)16-3/h6-9H,5H2,1-4H3"	"JUABUGKQZWXRLB-UHFFFAOYSA-N"	FALSE	FALSE	1005	3	4
"117666-88-3"	NA	NA	"Public_CrossChecked"	"CCOC(=S)C=CC1C=CC(=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C11H11NO3S/c1-2-15-11(16)8-5-9-3-6-10(7-4-9)12(13)14/h3-8H,2H2,1H3"	"FRDZOKGZHZASRW-UHFFFAOYSA-N"	FALSE	FALSE	970	3	4
"117666-91-8"	"DTXSID80151862"	"Benzoic acid, 3-methoxy-4-propoxythio-, O-ethyl ester"	"EPA_DSSTox"	"COC1C(CC)=C(C=CC=1OCCC)C(=O)S"	"?"	"InChI=1S/C13H18O3S/c1-4-8-16-11-7-6-10(13(14)17)9(5-2)12(11)15-3/h6-7H,4-5,8H2,1-3H3,(H,14,17)"	"RVHZEQAPVWWXID-UHFFFAOYSA-N"	FALSE	FALSE	967	3	4
"117683-18-8"	NA	NA	"Public_CrossChecked"	"COC1C=C(C=CC=1OCCC)C=CC(=S)OCC"	"?"	"InChI=1S/C15H20O3S/c1-4-10-18-13-8-6-12(11-14(13)16-3)7-9-15(19)17-5-2/h6-9,11H,4-5,10H2,1-3H3"	"FCLIFAOQFOLUPS-UHFFFAOYSA-N"	FALSE	FALSE	1010	3	4
"117774-38-6"	"DTXSID80151908"	"D-Aspoxicillin trihydrate"	"EPA_DSSTox"	"CNC(CC(N)=O)C(=O)NC(=O)C(NC1C2SC(C)(C)C(C(O)=O)N2C1=O)C1C=CC(O)=CC=1"	"O.O.O.O"	"InChI=1S/C21H27N5O7S/c1-21(2)15(20(32)33)26-18(31)14(19(26)34-21)24-13(9-4-6-10(27)7-5-9)17(30)25-16(29)11(23-3)8-12(22)28/h4-7,11,13-15,19,23-24,27H,8H2,1-3H3,(H2,22,28)(H,32,33)(H,25,29,30)"	"ATPVSNJCPGPJGO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1178-29-6"	"DTXSID6046846"	"Metoserpate hydrochloride"	"EPA_DSSTox"	"COC1C=CC2=C(C=1)NC1C3CC4C(C(OC)C(CC4CN3CCC=12)OC)C(=O)OC"	"Cl"	"InChI=1S/C24H32N2O5/c1-28-14-5-6-15-16-7-8-26-12-13-9-20(29-2)23(30-3)21(24(27)31-4)17(13)11-19(26)22(16)25-18(15)10-14/h5-6,10,13,17,19-21,23,25H,7-9,11-12H2,1-4H3"	"FPGCYQVKNKEGRQ-UHFFFAOYSA-N"	FALSE	FALSE	182	2	3
"117827-06-2"	"DTXSID70888892"	"Hexadecanamide, N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCC(=O)NC1C=C(Cl)C(CC)=C(Cl)C=1O"	"?"	"InChI=1S/C24H39Cl2NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22(28)27-21-18-20(25)19(4-2)23(26)24(21)29/h18,29H,3-17H2,1-2H3,(H,27,28)"	"XNIGXYXNGOOKMT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"117900-35-3"	NA	NA	"Public_CrossChecked"	"O=C(CI)NC(=O)CI"	"?"	"InChI=1S/C4H5I2NO2/c5-1-3(8)7-4(9)2-6/h1-2H2,(H,7,8,9)"	"RXPXVZKIHJHUMA-UHFFFAOYSA-N"	FALSE	FALSE	650	3	4
"118-28-5"	"DTXSID00883310"	"2-Naphthalenesulfonic acid, 5-amino-6-ethoxy-"	"EPA_DSSTox"	"CCOC1C=CC2C=C(C=CC=2C=1N)S(O)(=O)=O"	"?"	"InChI=1S/C12H13NO4S/c1-2-17-11-6-3-8-7-9(18(14,15)16)4-5-10(8)12(11)13/h3-7H,2,13H2,1H3,(H,14,15,16)"	"IZNPFDIKQHGNSK-UHFFFAOYSA-N"	FALSE	TRUE	12000	4	5
"118-33-2"	"DTXSID8059471"	"1,3-Naphthalenedisulfonic acid, 6-amino-"	"EPA_DSSTox"	"NC1=CC2=CC(=CC(=C2C=C1)S(O)(=O)=O)S(O)(=O)=O"	"?"	"InChI=1S/C10H9NO6S2/c11-7-1-2-9-6(3-7)4-8(18(12,13)14)5-10(9)19(15,16)17/h1-5H,11H2,(H,12,13,14)(H,15,16,17)"	"KZCSUEYBKAPKNH-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"118-52-5"	"DTXSID4024985"	"1,3-Dichloro-5,5-dimethylhydantoin"	"EPA_DSSTox"	"CC1(C)C(=O)N(Cl)C(=O)N1Cl"	"?"	"InChI=1S/C5H6Cl2N2O2/c1-5(2)3(10)8(6)4(11)9(5)7/h1-2H3"	"KEQGZUUPPQEDPF-UHFFFAOYSA-N"	FALSE	FALSE	542	3	4
"118-55-8"	"DTXSID6021957"	"Phenyl salicylate"	"EPA_DSSTox"	"OC1C=CC=CC=1C(=O)OC1C=CC=CC=1"	"?"	"InChI=1S/C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9,14H"	"ZQBAKBUEJOMQEX-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"118-56-9"	"DTXSID1026241"	"3,3,5-Trimethylcyclohexyl salicylate"	"EPA_DSSTox"	"CC1CC(CC(C)(C)C1)OC(=O)C1C=CC=CC=1O"	"?"	"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"	FALSE	TRUE	NA	4	5
"118-58-1"	"DTXSID1024598"	"Benzyl salicylate"	"EPA_DSSTox"	"OC1C=CC=CC=1C(=O)OCC1C=CC=CC=1"	"?"	"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"	FALSE	TRUE	2227	3	5
"118-68-3"	"DTXSID2048876"	"Etryptamine acetate"	"EPA_DSSTox"	"CCC(N)CC1=CNC2C=CC=CC=21"	"C(=O)(O)C"	"InChI=1S/C12H16N2/c1-2-10(13)7-9-8-14-12-6-4-3-5-11(9)12/h3-6,8,10,14H,2,7,13H2,1H3"	"ZXUMUPVQYAFTLF-UHFFFAOYSA-N"	TRUE	FALSE	49	1	2
"118-71-8"	"DTXSID0025523"	"Maltol"	"EPA_DSSTox"	"CC1OC=CC(=O)C=1O"	"?"	"InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3"	"XPCTZQVDEJYUGT-UHFFFAOYSA-N"	FALSE	FALSE	1410	3	4
"118-74-1"	"DTXSID2020682"	"Hexachlorobenzene"	"EPA_DSSTox"	"ClC1C(Cl)=C(Cl)C(Cl)=C(Cl)C=1Cl"	"?"	"InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9"	"CKAPSXZOOQJIBF-UHFFFAOYSA-N"	FALSE	TRUE	3500	3	5
"118-79-6"	"DTXSID6021959"	"2,4,6-Tribromophenol"	"EPA_DSSTox"	"OC1C(Br)=CC(Br)=CC=1Br"	"?"	"InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H"	"BSWWXRFVMJHFBN-UHFFFAOYSA-N"	FALSE	FALSE	1486	3	4
"118-82-1"	"DTXSID7022411"	"4,4'-Methylenebis(2,6-di-t-butylphenol)"	"EPA_DSSTox"	"CC(C)(C)C1=CC(CC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C"	"?"	"InChI=1S/C29H44O2/c1-26(2,3)20-14-18(15-21(24(20)30)27(4,5)6)13-19-16-22(28(7,8)9)25(31)23(17-19)29(10,11)12/h14-17,30-31H,13H2,1-12H3"	"MDWVSAYEQPLWMX-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"118-83-2"	"DTXSID30151998"	"5-Chloro-alpha,alpha,alpha-trifluoro-2-nitrotoluene"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC(Cl)=CC=1C(F)(F)F"	"?"	"InChI=1S/C7H3ClF3NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H"	"CFPIGEXZPWTNOR-UHFFFAOYSA-N"	FALSE	FALSE	554	3	4
"118134-30-8"	"DTXSID1034212"	"Spiroxamine"	"EPA_DSSTox"	"CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC"	"?"	"InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3"	"PUYXTUJWRLOUCW-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"118314-35-5"	"DTXSID80152096"	"DS 4574"	"EPA_DSSTox"	"O=C1C2=NNN=C2N=C2SC(CCC3CCCCC3)=NN21"	"?"	"InChI=1S/C13H16N6OS/c20-12-10-11(16-18-15-10)14-13-19(12)17-9(21-13)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,15,16,18)"	"ASIFEXZWAKYMRM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1185-55-3"	"DTXSID3027370"	"Trimethoxymethylsilane"	"EPA_DSSTox"	"C[Si](OC)(OC)OC"	"?"	"InChI=1S/C4H12O3Si/c1-5-8(4,6-2)7-3/h1-4H3"	"BFXIKLCIZHOAAZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"118562-73-5"	"DTXSID8051598"	"2-Cyclododecylpropan-1-ol"	"EPA_DSSTox"	"CC(CO)C1CCCCCCCCCCC1"	"?"	"InChI=1S/C15H30O/c1-14(13-16)15-11-9-7-5-3-2-4-6-8-10-12-15/h14-16H,2-13H2,1H3"	"WKHTUDYDJUHYMK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1186-09-0"	"DTXSID4073253"	"O,O,S-Triethyl thiophosphate"	"EPA_DSSTox"	"CCSP(=O)(OCC)OCC"	"?"	"InChI=1S/C6H15O3PS/c1-4-8-10(7,9-5-2)11-6-3/h4-6H2,1-3H3"	"YEXTYUIZRKSYHA-UHFFFAOYSA-N"	TRUE	FALSE	27	1	2
"1187-46-8"	NA	NA	"Public_CrossChecked"	"CCOC(=O)C(Br)C#N"	"?"	"InChI=1S/C5H6BrNO2/c1-2-9-5(8)4(6)3-7/h4H,2H2,1H3"	"QFGBTDLJOFKSQL-UHFFFAOYSA-N"	FALSE	FALSE	420	2	4
"1187-74-2"	"DTXSID40420187"	"Diethyl acetonylsuccinate"	"EPA_DSSTox"	"CC(=O)CC(CC(=O)OCC)C(=O)OCC"	"?"	"InChI=1S/C11H18O5/c1-4-15-10(13)7-9(6-8(3)12)11(14)16-5-2/h9H,4-7H2,1-3H3"	"AAPVOVKOHNCXJA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"118754-12-4"	NA	NA	"Public_CrossChecked"	"CC(CC1C=CC=CC=1)(NC(=O)CN)C1C=CC=CC=1"	"?"	"InChI=1S/C17H20N2O/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12-13,18H2,1H3,(H,19,20)"	"YSGASDXSLKIKOD-UHFFFAOYSA-N"	FALSE	FALSE	1200	3	4
"118754-14-6"	NA	NA	"Public_CrossChecked"	"CC(CC1C=CC=CC=1)(NC(=O)CN)C1C=CC=CC=1"	"?"	"InChI=1S/C17H20N2O/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12-13,18H2,1H3,(H,19,20)"	"YSGASDXSLKIKOD-UHFFFAOYSA-N"	FALSE	FALSE	733	3	4
"119-06-2"	"DTXSID2025214"	"Ditridecyl phthalate"	"EPA_DSSTox"	"CCCCCCCCCCCCCOC(=O)C1C=CC=CC=1C(=O)OCCCCCCCCCCCCC"	"?"	"InChI=1S/C34H58O4/c1-3-5-7-9-11-13-15-17-19-21-25-29-37-33(35)31-27-23-24-28-32(31)34(36)38-30-26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27-28H,3-22,25-26,29-30H2,1-2H3"	"YCZJVRCZIPDYHH-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"119-07-3"	"DTXSID1047497"	"Octyl decyl phthalate"	"EPA_DSSTox"	"CCCCCCCCCCOC(=O)C1C=CC=CC=1C(=O)OCCCCCCCC"	"?"	"InChI=1S/C26H42O4/c1-3-5-7-9-11-12-14-18-22-30-26(28)24-20-16-15-19-23(24)25(27)29-21-17-13-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3"	"LVAGMBHLXLZJKZ-UHFFFAOYSA-N"	FALSE	TRUE	45000	4	5
"119-15-3"	"DTXSID4025161"	"4-(2,4-Dinitroanilino)phenol"	"EPA_DSSTox"	"[O-][N+](=O)C1C=C(C(=CC=1)NC1C=CC(O)=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C12H9N3O5/c16-10-4-1-8(2-5-10)13-11-6-3-9(14(17)18)7-12(11)15(19)20/h1-7,13,16H"	"BCPQALWAROJVLE-UHFFFAOYSA-N"	FALSE	TRUE	15610	4	5
"119-17-5"	"DTXSID0044785"	"3-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid"	"EPA_DSSTox"	"CC1CC(=O)N(N=1)C1=CC(=CC=C1)S(O)(=O)=O"	"?"	"InChI=1S/C10H10N2O4S/c1-7-5-10(13)12(11-7)8-3-2-4-9(6-8)17(14,15)16/h2-4,6H,5H2,1H3,(H,14,15,16)"	"VEMGKBUHUTYHHA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"119-32-4"	"DTXSID7025633"	"4-Methyl-3-nitroaniline"	"EPA_DSSTox"	"CC1C=CC(N)=CC=1[N+]([O-])=O"	"?"	"InChI=1S/C7H8N2O2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,8H2,1H3"	"GDIIPKWHAQGCJF-UHFFFAOYSA-N"	FALSE	TRUE	6860	4	5
"119-33-5"	"DTXSID0026961"	"4-Methyl-2-nitrophenol"	"EPA_DSSTox"	"CC1=CC(=C(O)C=C1)[N+]([O-])=O"	"?"	"InChI=1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3"	"SYDNSSSQVSOXTN-UHFFFAOYSA-N"	FALSE	TRUE	3360	3	5
"119-34-6"	"DTXSID6020064"	"4-Amino-2-nitrophenol"	"EPA_DSSTox"	"NC1=CC(=C(O)C=C1)[N+]([O-])=O"	"?"	"InChI=1S/C6H6N2O3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H,7H2"	"WHODQVWERNSQEO-UHFFFAOYSA-N"	FALSE	FALSE	1470	3	4
"119-36-8"	"DTXSID5025659"	"Methyl salicylate"	"EPA_DSSTox"	"COC(=O)C1C=CC=CC=1O"	"?"	"InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3"	"OSWPMRLSEDHDFF-UHFFFAOYSA-N"	FALSE	FALSE	887	3	4
"119-38-0"	"DTXSID2020765"	"Isolane"	"EPA_DSSTox"	"CN(C)C(=O)OC1=CC(C)=NN1C(C)C"	"?"	"InChI=1S/C10H17N3O2/c1-7(2)13-9(6-8(3)11-13)15-10(14)12(4)5/h6-7H,1-5H3"	"RNNBHZYEKNHLKT-UHFFFAOYSA-N"	TRUE	FALSE	10.8	1	2
"119-41-5"	"DTXSID3048736"	"Efloxate"	"EPA_DSSTox"	"CCOC(=O)COC1=CC2OC(=CC(=O)C=2C=C1)C1C=CC=CC=1"	"?"	"InChI=1S/C19H16O5/c1-2-22-19(21)12-23-14-8-9-15-16(20)11-17(24-18(15)10-14)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3"	"ZVXBAHLOGZCFTP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"119-48-2"	"DTXSID5057628"	"Dimorpholamine"	"EPA_DSSTox"	"CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N1CCOCC1"	"?"	"InChI=1S/C20H38N4O4/c1-3-5-7-21(19(25)23-11-15-27-16-12-23)9-10-22(8-6-4-2)20(26)24-13-17-28-18-14-24/h3-18H2,1-2H3"	"HZTMGWSBSDLALI-UHFFFAOYSA-N"	FALSE	FALSE	270	2	3
"119-51-7"	"DTXSID5051602"	"1-Phenyl-1,2-propanedione-2-oxime"	"EPA_DSSTox"	"CC(N=O)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C9H9NO2/c1-7(10-12)9(11)8-5-3-2-4-6-8/h2-7H,1H3"	"IMHHVLKOGFPUTE-UHFFFAOYSA-N"	FALSE	TRUE	4240	3	5
"119-53-9"	"DTXSID1020144"	"Benzoin"	"EPA_DSSTox"	"OC(C(=O)C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H"	"ISAOCJYIOMOJEB-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"119-61-9"	"DTXSID0021961"	"Benzophenone"	"EPA_DSSTox"	"O=C(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H"	"RWCCWEUUXYIKHB-UHFFFAOYSA-N"	FALSE	FALSE	1900	3	4
"119-72-2"	"DTXSID6059493"	"Benzenesulfonic acid, 5-amino-2-[2-(4-nitro-2-sulfophenyl)ethenyl]-"	"EPA_DSSTox"	"NC1=CC(=C(C=C1)C=CC1C=CC(=CC=1S(O)(=O)=O)[N+]([O-])=O)S(O)(=O)=O"	"?"	"InChI=1S/C14H12N2O8S2/c15-11-5-3-9(13(7-11)25(19,20)21)1-2-10-4-6-12(16(17)18)8-14(10)26(22,23)24/h1-8H,15H2,(H,19,20,21)(H,22,23,24)"	"GHBWBMDGBCKAQU-UHFFFAOYSA-N"	FALSE	TRUE	14200	4	5
"119-84-6"	"DTXSID2020474"	"3,4-Dihydrocoumarin"	"EPA_DSSTox"	"O=C1CCC2C=CC=CC=2O1"	"?"	"InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2"	"VMUXSMXIQBNMGZ-UHFFFAOYSA-N"	FALSE	FALSE	1460	3	4
"119-89-1"	NA	NA	"Public_CrossChecked"	"CCCCCCC1CC(CC(=O)C=1)C1=CC2OCOC=2C=C1"	"?"	"InChI=1S/C19H24O3/c1-2-3-4-5-6-14-9-16(11-17(20)10-14)15-7-8-18-19(12-15)22-13-21-18/h7-8,10,12,16H,2-6,9,11,13H2,1H3"	"JBVNWTXRFKZNBQ-UHFFFAOYSA-N"	FALSE	TRUE	5200	4	5
"119-90-4"	"DTXSID3025091"	"3,3'-Dimethoxybenzidine"	"EPA_DSSTox"	"COC1C=C(C=CC=1N)C1C=C(OC)C(N)=CC=1"	"?"	"InChI=1S/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3"	"JRBJSXQPQWSCCF-UHFFFAOYSA-N"	FALSE	FALSE	1920	3	4
"1190-76-7"	NA	NA	"Public_CrossChecked"	"CC=CC#N"	"?"	"InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3"	"NKKMVIVFRUYPLQ-UHFFFAOYSA-N"	FALSE	FALSE	167	2	3
"119006-77-8"	NA	NA	"Public_CrossChecked"	"FC1C=CC(=CC=1)C(C1C=CC=CC=1F)(C1C=CC=CC=1)N1C=NC=C1"	"?"	"InChI=1S/C22H16F2N2/c23-19-12-10-18(11-13-19)22(26-15-14-25-16-26,17-6-2-1-3-7-17)20-8-4-5-9-21(20)24/h1-16H"	"QHMWCHQXCUNUAK-UHFFFAOYSA-N"	FALSE	FALSE	808	3	4
"1191-16-8"	"DTXSID9047128"	"3,3-Dimethylallyl acetate"	"EPA_DSSTox"	"CC(C)=CCOC(C)=O"	"?"	"InChI=1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3"	"XXIKYCPRDXIMQM-UHFFFAOYSA-N"	FALSE	TRUE	2900	3	5
"1192-22-9"	NA	NA	"Public_CrossChecked"	"CCC1OC1(C)C"	"?"	"InChI=1S/C6H12O/c1-4-5-6(2,3)7-5/h5H,4H2,1-3H3"	"OZVWXRGXOYUQEJ-UHFFFAOYSA-N"	FALSE	TRUE	3500	3	5
"1193-21-1"	"DTXSID10152403"	"4,6-Dichloropyrimidine"	"EPA_DSSTox"	"ClC1C=C(Cl)N=CN=1"	"?"	"InChI=1S/C4H2Cl2N2/c5-3-1-4(6)8-2-7-3/h1-2H"	"XJPZKYIHCLDXST-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"1193-24-4"	"DTXSID6025434"	"6-Hydroxy-4(1H)-pyrimidinone"	"EPA_DSSTox"	"OC1C=C(O)N=CN=1"	"?"	"InChI=1S/C4H4N2O2/c7-3-1-4(8)6-2-5-3/h1-2H,(H2,5,6,7,8)"	"DUFGYCAXVIUXIP-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1193-81-3"	"DTXSID7047643"	"1-Cyclohexylethanol"	"EPA_DSSTox"	"CC(O)C1CCCCC1"	"?"	"InChI=1S/C8H16O/c1-7(9)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3"	"JMSUNAQVHOHLMX-UHFFFAOYSA-N"	FALSE	TRUE	2100	3	5
"119302-20-4"	NA	NA	"Public_CrossChecked"	"CC12CC(C(O)CC1CCC1C2CCC2(C)C1CC(C2O)N1CCCC1)N1CCOCC1"	"?"	"InChI=1S/C27H46N2O3/c1-26-8-7-20-19(21(26)16-22(25(26)31)28-9-3-4-10-28)6-5-18-15-24(30)23(17-27(18,20)2)29-11-13-32-14-12-29/h18-25,30-31H,3-17H2,1-2H3"	"YKHDYPFPUAWBIW-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	NA
"119302-24-8"	NA	NA	"Public_CrossChecked"	"CC12CCC3C(CCC4CC(O)C(CC43C)N3CCOCC3)C1CC(C2OC(C)=O)N1CCCC1"	"?"	"InChI=1S/C29H48N2O4/c1-19(32)35-27-24(30-10-4-5-11-30)17-23-21-7-6-20-16-26(33)25(31-12-14-34-15-13-31)18-29(20,3)22(21)8-9-28(23,27)2/h20-27,33H,4-18H2,1-3H3"	"YBZSVMDKHBRYNB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1194-65-6"	"DTXSID5032365"	"Dichlobenil"	"EPA_DSSTox"	"N#CC1C(Cl)=CC=CC=1Cl"	"?"	"InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H"	"YOYAIZYFCNQIRF-UHFFFAOYSA-N"	FALSE	TRUE	2710	3	5
"119446-68-3"	"DTXSID4032372"	"Difenoconazole"	"EPA_DSSTox"	"CC1COC(CN2C=NC=N2)(O1)C1C=CC(=CC=1Cl)OC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3"	"BQYJATMQXGBDHF-UHFFFAOYSA-N"	FALSE	FALSE	1453	3	4
"119462-56-5"	"DTXSID0073081"	"1H-Pyrrole-2,5-dione, 1,1'-[1,3-phenylenebis(methylene)]bis[3-methyl-"	"EPA_DSSTox"	"CC1=CC(=O)N(CC2C=C(CN3C(=O)C(C)=CC3=O)C=CC=2)C1=O"	"?"	"InChI=1S/C18H16N2O4/c1-11-6-15(21)19(17(11)23)9-13-4-3-5-14(8-13)10-20-16(22)7-12(2)18(20)24/h3-8H,9-10H2,1-2H3"	"MIIBUHIQXLFJFP-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"119615-63-3"	"DTXSID7045813"	"Olprinone hydrochloride"	"EPA_DSSTox"	"CC1NC(=O)C(=CC=1C1=CN2C=CN=C2C=C1)C#N"	"Cl"	"InChI=1S/C14H10N4O/c1-9-12(6-11(7-15)14(19)17-9)10-2-3-13-16-4-5-18(13)8-10/h2-6,8H,1H3,(H,17,19)"	"JPAWFIIYTJQOKW-UHFFFAOYSA-N"	FALSE	TRUE	7804	4	5
"119637-67-1"	NA	NA	"Public_CrossChecked"	"COC1C=CC=CC=1OCC1SCCN1C(=O)CC(=O)OCC"	"?"	"InChI=1S/C16H21NO5S/c1-3-21-16(19)10-14(18)17-8-9-23-15(17)11-22-13-7-5-4-6-12(13)20-2/h4-7,15H,3,8-11H2,1-2H3"	"WSYVIAQNTFPTBI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1197-21-3"	"DTXSID20152550"	"Phentermine hydrochloride [USP]"	"EPA_DSSTox"	"CC(C)(N)CC1C=CC=CC=1"	"Cl"	"InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3"	"DHHVAGZRUROJKS-UHFFFAOYSA-N"	FALSE	FALSE	188	2	3
"119798-44-6"	NA	NA	"Public_CrossChecked"	"CCOC(=O)CCCCC=CCC=CCC=CCC=CCC"	"?"	"InChI=1S/C20H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h5-6,8-9,11-12,14-15H,3-4,7,10,13,16-19H2,1-2H3"	"RIDOSNBWMUADGT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"119851-28-4"	"DTXSID20350372"	"1-[2-Chloro-4-(4-chlorophenoxy)phenyl]ethan-1-one"	"EPA_DSSTox"	"CC(=O)C1=CC=C(C=C1Cl)OC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C14H10Cl2O2/c1-9(17)13-7-6-12(8-14(13)16)18-11-4-2-10(15)3-5-11/h2-8H,1H3"	"BDTJIVUVQRVLLJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1199-85-5"	NA	NA	"Public_CrossChecked"	"CNC(C)CC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C10H14ClN/c1-8(12-2)7-9-3-5-10(11)6-4-9/h3-6,8,12H,7H2,1-2H3"	"XXLWNLKEOWWHDC-UHFFFAOYSA-N"	FALSE	FALSE	110	2	3
"120-07-0"	"DTXSID5021962"	"N-Phenyldiethanolamine"	"EPA_DSSTox"	"OCCN(CCO)C1C=CC=CC=1"	"?"	"InChI=1S/C10H15NO2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2"	"OJPDDQSCZGTACX-UHFFFAOYSA-N"	FALSE	FALSE	980	3	4
"120-11-6"	"DTXSID0051605"	"1-Benzyloxy-2-methoxy-4-(1-propenyl)benzene"	"EPA_DSSTox"	"COC1=CC(C=CC)=CC=C1OCC1C=CC=CC=1"	"?"	"InChI=1S/C17H18O2/c1-3-7-14-10-11-16(17(12-14)18-2)19-13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3"	"YKSSSKBJDZDZTD-UHFFFAOYSA-N"	FALSE	TRUE	4900	3	5
"120-18-3"	"DTXSID5044788"	"Naphthalene-2-sulfonic acid"	"EPA_DSSTox"	"OS(=O)(=O)C1=CC2=CC=CC=C2C=C1"	"?"	"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"	FALSE	TRUE	4440	3	5
"120-21-8"	"DTXSID0021963"	"4-(Diethylamino)benzaldehyde"	"EPA_DSSTox"	"CCN(CC)C1C=CC(C=O)=CC=1"	"?"	"InChI=1S/C11H15NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5-9H,3-4H2,1-2H3"	"MNFZZNNFORDXSV-UHFFFAOYSA-N"	FALSE	TRUE	6400	4	5
"120-23-0"	"DTXSID2042195"	"2-Naphthoxyacetic acid"	"EPA_DSSTox"	"OC(=O)COC1C=C2C=CC=CC2=CC=1"	"?"	"InChI=1S/C12H10O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)"	"RZCJYMOBWVJQGV-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"120-32-1"	"DTXSID5020154"	"Clorophene"	"EPA_DSSTox"	"OC1C=CC(Cl)=CC=1CC1C=CC=CC=1"	"?"	"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"	FALSE	FALSE	1700	3	4
"120-34-3"	"DTXSID30152642"	"N-Sulfanilyl-3,4-xylamide"	"EPA_DSSTox"	"CC1C=CC(=CC=1C)C(=O)NS(=O)(=O)C1C=CC(N)=CC=1"	"?"	"InChI=1S/C15H16N2O3S/c1-10-3-4-12(9-11(10)2)15(18)17-21(19,20)14-7-5-13(16)6-8-14/h3-9H,16H2,1-2H3,(H,17,18)"	"LFAXYIHYMGEIHW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"120-35-4"	"DTXSID0051607"	"3-Amino-4-methoxybenzanilide"	"EPA_DSSTox"	"COC1C=CC(=CC=1N)C(=O)NC1C=CC=CC=1"	"?"	"InChI=1S/C14H14N2O2/c1-18-13-8-7-10(9-12(13)15)14(17)16-11-5-3-2-4-6-11/h2-9H,15H2,1H3,(H,16,17)"	"LHMQDVIHBXWNII-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"120-36-5"	"DTXSID0020440"	"Dichlorprop"	"EPA_DSSTox"	"CC(OC1C=CC(Cl)=CC=1Cl)C(O)=O"	"?"	"InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)"	"MZHCENGPTKEIGP-UHFFFAOYSA-N"	FALSE	FALSE	344	2	4
"120-40-1"	"DTXSID5025491"	"N,N-Bis(2-hydroxyethyl)dodecanamide"	"EPA_DSSTox"	"CCCCCCCCCCCC(=O)N(CCO)CCO"	"?"	"InChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h18-19H,2-15H2,1H3"	"AOMUHOFOVNGZAN-UHFFFAOYSA-N"	FALSE	TRUE	2700	3	5
"120-45-6"	"DTXSID9047091"	"1-Phenylethyl propionate"	"EPA_DSSTox"	"CC(OC(=O)CC)C1C=CC=CC=1"	"?"	"InChI=1S/C11H14O2/c1-3-11(12)13-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3"	"WCIQNYOXLZQQMU-UHFFFAOYSA-N"	FALSE	TRUE	5200	4	5
"120-46-7"	"DTXSID3041247"	"1,3-Diphenyl-1,3-propanedione"	"EPA_DSSTox"	"O=C(CC(=O)C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2"	"NZZIMKJIVMHWJC-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"120-47-8"	"DTXSID9022528"	"Ethylparaben"	"EPA_DSSTox"	"CCOC(=O)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3"	"NUVBSKCKDOMJSU-UHFFFAOYSA-N"	FALSE	TRUE	4300	3	5
"120-50-3"	"DTXSID6047074"	"Isobutyl benzoate"	"EPA_DSSTox"	"CC(C)COC(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3"	"KYZHGEFMXZOSJN-UHFFFAOYSA-N"	FALSE	TRUE	5600	4	5
"120-51-4"	"DTXSID8029153"	"Benzyl benzoate"	"EPA_DSSTox"	"O=C(OCC1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2"	"SESFRYSPDFLNCH-UHFFFAOYSA-N"	FALSE	FALSE	1700	3	4
"120-55-8"	"DTXSID0026967"	"Diethylene glycol dibenzoate"	"EPA_DSSTox"	"O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1"	"?"	"InChI=1S/C18H18O5/c19-17(15-7-3-1-4-8-15)22-13-11-21-12-14-23-18(20)16-9-5-2-6-10-16/h1-10H,11-14H2"	"NXQMCAOPTPLPRL-UHFFFAOYSA-N"	FALSE	TRUE	2830	3	5
"120-58-1"	"DTXSID2020767"	"Isosafrole"	"EPA_DSSTox"	"CC=CC1=CC2OCOC=2C=C1"	"?"	"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3"	"VHVOLFRBFDOUSH-UHFFFAOYSA-N"	FALSE	FALSE	1300	3	4
"120-62-7"	"DTXSID1021168"	"Piperonyl sulfoxide"	"EPA_DSSTox"	"CCCCCCCCS(=O)C(C)CC1C=CC2OCOC=2C=1"	"?"	"InChI=1S/C18H28O3S/c1-3-4-5-6-7-8-11-22(19)15(2)12-16-9-10-17-18(13-16)21-14-20-17/h9-10,13,15H,3-8,11-12,14H2,1-2H3"	"ATTZFSUZZUNHBP-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"120-67-2"	NA	NA	"Public_CrossChecked"	"OCCOC1=CC=C(Cl)C=C1Cl"	"?"	"InChI=1S/C8H8Cl2O2/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5,11H,3-4H2"	"PCCMNBRZMKANQD-UHFFFAOYSA-N"	FALSE	FALSE	1410	3	4
"120-72-9"	"DTXSID0020737"	"Indole"	"EPA_DSSTox"	"C1=CC=CC2NC=CC=21"	"?"	"InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H"	"SIKJAQJRHWYJAI-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"120-78-5"	"DTXSID1020146"	"2,2'-Dithiobisbenzothiazole"	"EPA_DSSTox"	"C1=CC=CC2SC(=NC=21)SSC1=NC2C=CC=CC=2S1"	"?"	"InChI=1S/C14H8N2S4/c1-3-7-11-9(5-1)15-13(17-11)19-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H"	"AFZSMODLJJCVPP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"120-80-9"	"DTXSID3020257"	"Catechol"	"EPA_DSSTox"	"OC1C=CC=CC=1O"	"?"	"InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H"	"YCIMNLLNPGFGHC-UHFFFAOYSA-N"	FALSE	FALSE	260	2	3
"120-82-1"	"DTXSID0021965"	"1,2,4-Trichlorobenzene"	"EPA_DSSTox"	"ClC1=CC(Cl)=C(Cl)C=C1"	"?"	"InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H"	"PBKONEOXTCPAFI-UHFFFAOYSA-N"	FALSE	FALSE	756	3	4
"120-83-2"	"DTXSID1020439"	"2,4-Dichlorophenol"	"EPA_DSSTox"	"OC1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H"	"HFZWRUODUSTPEG-UHFFFAOYSA-N"	TRUE	FALSE	47	1	2
"120-95-6"	"DTXSID9026974"	"2,4-Bis(2-methylbutan-2-yl)phenol"	"EPA_DSSTox"	"CC(C)(CC)C1C=C(C=CC=1O)C(C)(C)CC"	"?"	"InChI=1S/C16H26O/c1-7-15(3,4)12-9-10-14(17)13(11-12)16(5,6)8-2/h9-11,17H,7-8H2,1-6H3"	"WMVJWKURWRGJCI-UHFFFAOYSA-N"	FALSE	FALSE	330	2	4
"120-97-8"	"DTXSID1022922"	"Dichlorphenamide"	"EPA_DSSTox"	"NS(=O)(=O)C1=CC(Cl)=C(Cl)C(=C1)S(N)(=O)=O"	"?"	"InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)"	"GJQPMPFPNINLKP-UHFFFAOYSA-N"	FALSE	TRUE	10070	4	5
"12002-53-8"	"DTXSID9035678"	"Trimedlure"	"EPA_DSSTox"	"CC1CC(Cl)CCC1C(=O)OC(C)(C)C"	"?"	"InChI=1S/C12H21ClO2/c1-8-7-9(13)5-6-10(8)11(14)15-12(2,3)4/h8-10H,5-7H2,1-4H3"	"APMORJJNVZMVQK-UHFFFAOYSA-N"	FALSE	TRUE	4556	3	5
"12002-54-9"	NA	NA	"Public_CrossChecked"	"ClC(Cl)=C(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H"	"UCNVFOCBFJOQAL-UHFFFAOYSA-N"	FALSE	FALSE	880	3	4
"120068-36-2"	"DTXSID6074750"	"Fipronil Sulfone"	"EPA_DSSTox"	"NC1=C(C(C#N)=NN1C1C(Cl)=CC(=CC=1Cl)C(F)(F)F)S(=O)(=O)C(F)(F)F"	"?"	"InChI=1S/C12H4Cl2F6N4O2S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)27(25,26)12(18,19)20/h1-2H,22H2"	"LGHZJDKSVUTELU-UHFFFAOYSA-N"	FALSE	FALSE	184	2	3
"120068-37-3"	"DTXSID4034609"	"Fipronil"	"EPA_DSSTox"	"NC1=C(C(C#N)=NN1C1C(Cl)=CC(=CC=1Cl)C(F)(F)F)S(=O)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"	FALSE	FALSE	92	2	3
"120162-55-2"	"DTXSID8041614"	"Azimsulfuron"	"EPA_DSSTox"	"CN1N=NC(=N1)C1C=NN(C)C=1S(=O)(=O)NC(=O)NC1N=C(C=C(N=1)OC)OC"	"?"	"InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)"	"MAHPNPYYQAIOJN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"12069-32-8"	"DTXSID4051615"	"Boron carbide"	"EPA_DSSTox"	"B12B3B4B1C432"	"?"	"InChI=1S/CB4/c2-1-3(2)5(1)4(1)2"	"INAHAJYZKVIDIZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1209-98-9"	NA	NA	"Public_CrossChecked"	"CCNC1C(C2CC1CC2)C1C=CC=CC=1"	"?"	"InChI=1S/C15H21N/c1-2-16-15-13-9-8-12(10-13)14(15)11-6-4-3-5-7-11/h3-7,12-16H,2,8-10H2,1H3"	"IKFBPFGUINLYQI-UHFFFAOYSA-N"	FALSE	FALSE	83	2	3
"120923-37-7"	"DTXSID7057945"	"Amidosulfuron"	"EPA_DSSTox"	"CS(=O)(=O)N(C)S(=O)(=O)N/C(/O)=N/C1=NC(=CC(=N1)OC)OC"	"?"	"InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)"	"CTTHWASMBLQOFR-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"121-00-6"	"DTXSID7040788"	"2-tert-Butyl-4-methoxyphenol"	"EPA_DSSTox"	"COC1C=C(C(O)=CC=1)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"	FALSE	TRUE	2910	3	5
"121-06-2"	"DTXSID70891326"	"Tris(2,6-dimethylphenyl) phosphate"	"EPA_DSSTox"	"CC1C=CC=C(C)C=1OP(=O)(OC1C(C)=CC=CC=1C)OC1C(C)=CC=CC=1C"	"?"	"InChI=1S/C24H27O4P/c1-16-10-7-11-17(2)22(16)26-29(25,27-23-18(3)12-8-13-19(23)4)28-24-20(5)14-9-15-21(24)6/h7-15H,1-6H3"	"QLORRTLBSJTMSN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"121-14-2"	"DTXSID0020529"	"2,4-Dinitrotoluene"	"EPA_DSSTox"	"CC1C=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3"	"RMBFBMJGBANMMK-UHFFFAOYSA-N"	FALSE	FALSE	269	2	3
"121-17-5"	"DTXSID2024799"	"1-Chloro-2-nitro-4-(trifluoromethyl)benzene"	"EPA_DSSTox"	"[O-][N+](=O)C1C=C(C=CC=1Cl)C(F)(F)F"	"?"	"InChI=1S/C7H3ClF3NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H"	"TZGFQIXRVUHDLE-UHFFFAOYSA-N"	FALSE	FALSE	1075	3	4
"121-20-0"	"DTXSID9041788"	"Cinerin II"	"EPA_DSSTox"	"COC(=O)C(C)=CC1C(C(=O)OC2CC(=O)C(CC=CC)=C2C)C1(C)C"	"?"	"InChI=1S/C21H28O5/c1-7-8-9-14-13(3)17(11-16(14)22)26-20(24)18-15(21(18,4)5)10-12(2)19(23)25-6/h7-8,10,15,17-18H,9,11H2,1-6H3"	"SHCRDCOTRILILT-UHFFFAOYSA-N"	FALSE	FALSE	1030	3	4
"121-21-1"	"DTXSID4034499"	"Pyrethrin I"	"EPA_DSSTox"	"CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=CC=C)=C2C)C1(C)C"	"?"	"InChI=1S/C21H28O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3"	"ROVGZAWFACYCSP-UHFFFAOYSA-N"	FALSE	FALSE	260	2	3
"121-29-9"	"DTXSID2042353"	"Pyrethrin II"	"EPA_DSSTox"	"COC(=O)C(C)=CC1C(C(=O)OC2CC(=O)C(CC=CC=C)=C2C)C1(C)C"	"?"	"InChI=1S/C22H28O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h7-9,11,16,18-19H,1,10,12H2,2-6H3"	"VJFUPGQZSXIULQ-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"121-33-5"	"DTXSID0021969"	"4-Hydroxy-3-methoxybenzaldehyde"	"EPA_DSSTox"	"COC1C=C(C=O)C=CC=1O"	"?"	"InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3"	"MWOOGOJBHIARFG-UHFFFAOYSA-N"	FALSE	FALSE	1790.5	3	4
"121-39-1"	"DTXSID8025886"	"Ethyl 3-phenylglycidate"	"EPA_DSSTox"	"CCOC(=O)C1OC1C1C=CC=CC=1"	"?"	"InChI=1S/C11H12O3/c1-2-13-11(12)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3"	"GOMAKLPNAAZVCJ-UHFFFAOYSA-N"	FALSE	TRUE	2300	3	5
"121-43-7"	"DTXSID0037738"	"Trimethyl borate"	"EPA_DSSTox"	"COB(OC)OC"	"?"	"InChI=1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3"	"WRECIMRULFAWHA-UHFFFAOYSA-N"	FALSE	TRUE	6140	4	5
"121-44-8"	"DTXSID3024366"	"Triethylamine"	"EPA_DSSTox"	"CCN(CC)CC"	"?"	"InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3"	"ZMANZCXQSJIPKH-UHFFFAOYSA-N"	FALSE	FALSE	460	2	4
"121-45-9"	"DTXSID4026979"	"Trimethyl phosphite"	"EPA_DSSTox"	"COP(OC)OC"	"?"	"InChI=1S/C3H9O3P/c1-4-7(5-2)6-3/h1-3H3"	"CYTQBVOFDCPGCX-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"121-54-0"	"DTXSID6023810"	"Benzethonium chloride"	"EPA_DSSTox"	"CC(C)(C)CC(C)(C)C1C=CC(=CC=1)OCCOCC[N+](C)(C)CC1C=CC=CC=1"	"[Cl-]"	"InChI=1S/C27H42NO2/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23/h8-16H,17-22H2,1-7H3/q+1"	"SIYLLGKDQZGJHK-UHFFFAOYSA-N"	FALSE	FALSE	368	2	4
"121-60-8"	"DTXSID8026981"	"4-(Acetylamino)benzenesulfonyl chloride"	"EPA_DSSTox"	"CC(=O)NC1C=CC(=CC=1)S(=O)(=O)Cl"	"?"	"InChI=1S/C8H8ClNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)"	"GRDXCFKBQWDAJH-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"121-69-7"	"DTXSID2020507"	"N,N-Dimethylaniline"	"EPA_DSSTox"	"CN(C)C1C=CC=CC=1"	"?"	"InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3"	"JLTDJTHDQAWBAV-UHFFFAOYSA-N"	FALSE	FALSE	951	3	4
"121-73-3"	"DTXSID4021971"	"1-Chloro-3-nitrobenzene"	"EPA_DSSTox"	"[O-][N+](=O)C1C=C(Cl)C=CC=1"	"?"	"InChI=1S/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H"	"KMAQZIILEGKYQZ-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"121-75-5"	"DTXSID4020791"	"Malathion"	"EPA_DSSTox"	"CCOC(=O)C(CC(=O)OCC)SP(=S)(OC)OC"	"?"	"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"	FALSE	FALSE	1187.5	3	4
"121-81-3"	"DTXSID0045836"	"Nitromide"	"EPA_DSSTox"	"NC(=O)C1C=C(C=C(C=1)[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C7H5N3O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3H,(H2,8,11)"	"UUKWKUSGGZNXGA-UHFFFAOYSA-N"	FALSE	FALSE	1250	3	4
"121-82-4"	"DTXSID9024142"	"Cyclonite"	"EPA_DSSTox"	"[O-][N+](=O)N1CN(CN(C1)[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2"	"XTFIVUDBNACUBN-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"121-87-9"	"DTXSID4021973"	"2-Chloro-4-nitroaniline"	"EPA_DSSTox"	"NC1C=CC(=CC=1Cl)[N+]([O-])=O"	"?"	"InChI=1S/C6H5ClN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2"	"LOCWBQIWHWIRGN-UHFFFAOYSA-N"	FALSE	TRUE	6430	4	5
"121-88-0"	"DTXSID1020063"	"2-Amino-5-nitrophenol"	"EPA_DSSTox"	"NC1C=CC(=CC=1O)[N+]([O-])=O"	"?"	"InChI=1S/C6H6N2O3/c7-5-2-1-4(8(10)11)3-6(5)9/h1-3,9H,7H2"	"DOPJTDJKZNWLRB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"121-89-1"	"DTXSID1025722"	"3-Nitroacetophenone"	"EPA_DSSTox"	"CC(=O)C1C=C(C=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C8H7NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3"	"ARKIFHPFTHVKDT-UHFFFAOYSA-N"	FALSE	TRUE	3250	3	5
"121-91-5"	"DTXSID3021485"	"1,3-Benzenedicarboxylic acid"	"EPA_DSSTox"	"OC(=O)C1C=C(C=CC=1)C(O)=O"	"?"	"InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)"	"QQVIHTHCMHWDBS-UHFFFAOYSA-N"	FALSE	TRUE	10400	4	5
"1210-05-5"	"DTXSID00153101"	"Diphenaldehyde"	"EPA_DSSTox"	"O=CC1C=CC=CC=1C1C=CC=CC=1C=O"	"?"	"InChI=1S/C14H10O2/c15-9-11-5-1-3-7-13(11)14-8-4-2-6-12(14)10-16/h1-10H"	"HJFGULDHUDIPDA-UHFFFAOYSA-N"	FALSE	TRUE	2830	3	5
"1211-28-5"	NA	NA	"Public_CrossChecked"	"CCCC(CC1C=CC=CC=1)N1CCCC1"	"Cl"	"InChI=1S/C15H23N/c1-2-8-15(16-11-6-7-12-16)13-14-9-4-3-5-10-14/h3-5,9-10,15H,2,6-8,11-13H2,1H3"	"OJCPSBCUMRIPFL-UHFFFAOYSA-N"	FALSE	FALSE	278	2	3
"121158-58-5"	"DTXSID9029853"	"Phenol, dodecyl-, branched"	"EPA_DSSTox"	"CCC(C)C(C)C(C)CCC1C=CC(O)=CC=1"	"?"	"InChI=1S/C16H26O/c1-5-12(2)14(4)13(3)6-7-15-8-10-16(17)11-9-15/h8-14,17H,5-7H2,1-4H3"	"AOOKHLGAVNECET-UHFFFAOYSA-N"	FALSE	TRUE	2100	3	5
"1212-29-9"	"DTXSID9020451"	"N,N'-Dicyclohexylthiourea"	"EPA_DSSTox"	"S=C(NC1CCCCC1)NC1CCCCC1"	"?"	"InChI=1S/C13H24N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)"	"KAJICSGLHKRDLN-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"12122-67-7"	"DTXSID5021465"	"Zineb"	"EPA_DSSTox"	"SC(=S)NCCNC(S)=S"	"[Zn+2]"	"InChI=1S/C4H8N2S4/c7-3(8)5-1-2-6-4(9)10/h1-2H2,(H2,5,7,8)(H2,6,9,10)"	"AWYFNIZYMPNGAI-UHFFFAOYSA-N"	FALSE	FALSE	1850	3	4
"1214-39-7"	"DTXSID7032630"	"N-Benzyladenine"	"EPA_DSSTox"	"C(NC1NC=NC2=NC=NC2=1)C1C=CC=CC=1"	"?"	"InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)"	"NWBJYWHLCVSVIJ-UHFFFAOYSA-N"	FALSE	FALSE	1300	3	4
"121489-04-1"	NA	NA	"Public_CrossChecked"	"CC(C)OC(=O)C1C(C(C(=O)OCCN(C)CC2=CC=C(F)C=C2)C(C)=NC=1C)C1C=CC=C2OCOC2=1"	"?"	"InChI=1S/C29H33FN2O6/c1-17(2)38-29(34)25-19(4)31-18(3)24(26(25)22-7-6-8-23-27(22)37-16-36-23)28(33)35-14-13-32(5)15-20-9-11-21(30)12-10-20/h6-12,17,24,26H,13-16H2,1-5H3"	"XAAXIPRRQPYAFW-UHFFFAOYSA-N"	FALSE	FALSE	64	2	3
"1215-83-4"	"DTXSID7047807"	"Clobutinol hydrochloride"	"EPA_DSSTox"	"CC(CN(C)C)C(C)(O)CC1C=CC(Cl)=CC=1"	"Cl"	"InChI=1S/C14H22ClNO/c1-11(10-16(3)4)14(2,17)9-12-5-7-13(15)8-6-12/h5-8,11,17H,9-10H2,1-4H3"	"KVHHQGIIZCJATJ-UHFFFAOYSA-N"	FALSE	FALSE	802	3	4
"121518-45-4"	"DTXSID1074121"	"Phenol, 2,4-dichloro-3-ethyl-"	"EPA_DSSTox"	"CCC1=C(Cl)C(O)=CC=C1Cl"	"?"	"InChI=1S/C8H8Cl2O/c1-2-5-6(9)3-4-7(11)8(5)10/h3-4,11H,2H2,1H3"	"DEHWRJWKQDWKDP-UHFFFAOYSA-N"	FALSE	TRUE	2263	3	5
"121552-61-2"	"DTXSID1032359"	"Cyprodinil"	"EPA_DSSTox"	"CC1=CC(=NC(NC2C=CC=CC=2)=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"	FALSE	TRUE	NA	3	5
"121625-72-7"	"DTXSID00153323"	"1-Isobutyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-3-indoleacetic acid"	"EPA_DSSTox"	"CC1=C(CC(O)=O)C2=C(CC(C)(C)CC2=O)N1CC(C)C"	"?"	"InChI=1S/C17H25NO3/c1-10(2)9-18-11(3)12(6-15(20)21)16-13(18)7-17(4,5)8-14(16)19/h10H,6-9H2,1-5H3,(H,20,21)"	"VTUCUFBISPCBQM-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"121652-76-4"	NA	NA	"Public_CrossChecked"	"CCCCCCCNC(=O)OC1=CC2=C(C=C1)N(C)C1N(C)CCC21C"	"?"	"InChI=1S/C21H33N3O2/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25)"	"RRGMXBQMCUKRLH-UHFFFAOYSA-N"	TRUE	FALSE	25.1	1	2
"121771-84-4"	"DTXSID80153366"	"3H-Imidazo(2,1-b)(3)benzazepine, 2,5,6,11-tetrahydro-, sulfate (1:1)"	"EPA_DSSTox"	"C1C2C=CC=CC=2CCN2CCN=C21"	"S(O)(O)(=O)=O"	"InChI=1S/C12H14N2/c1-2-4-11-9-12-13-6-8-14(12)7-5-10(11)3-1/h1-4H,5-9H2"	"DWIKKRTTWAYFDC-UHFFFAOYSA-N"	FALSE	FALSE	60	2	3
"121776-33-8"	"DTXSID4041999"	"Furilazole"	"EPA_DSSTox"	"CC1(C)OC(CN1C(=O)C(Cl)Cl)C1=CC=CO1"	"?"	"InChI=1S/C11H13Cl2NO3/c1-11(2)14(10(15)9(12)13)6-8(17-11)7-4-3-5-16-7/h3-5,8-9H,6H2,1-2H3"	"MCNOFYBITGAAGM-UHFFFAOYSA-N"	FALSE	FALSE	521	3	4
"1218-35-5"	"DTXSID3045223"	"Xylometazoline hydrochloride"	"EPA_DSSTox"	"CC1C=C(C=C(C)C=1CC1NCCN=1)C(C)(C)C"	"Cl"	"InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)"	"HUCJFAOMUPXHDK-UHFFFAOYSA-N"	FALSE	FALSE	230	2	3
"121808-62-6"	"DTXSID0046199"	"Pidotimod"	"EPA_DSSTox"	"OC(=O)C1CSCN1C(=O)C1CCC(=O)N1"	"?"	"InChI=1S/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)"	"UUTKICFRNVKFRG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"122-00-9"	"DTXSID9044374"	"p-Methylacetophenone"	"EPA_DSSTox"	"CC1C=CC(=CC=1)C(C)=O"	"?"	"InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3"	"GNKZMNRKLCTJAY-UHFFFAOYSA-N"	FALSE	FALSE	1400	3	4
"122-01-0"	"DTXSID4051619"	"4-Chlorobenzoyl chloride"	"EPA_DSSTox"	"O=C(Cl)C1=CC=C(Cl)C=C1"	"?"	"InChI=1S/C7H4Cl2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H"	"RKIDDEGICSMIJA-UHFFFAOYSA-N"	FALSE	TRUE	3150	3	5
"122-04-3"	"DTXSID9025742"	"4-Nitrobenzoyl chloride"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC(=CC=1)C(=O)Cl"	"?"	"InChI=1S/C7H4ClNO3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H"	"SKDHHIUENRGTHK-UHFFFAOYSA-N"	FALSE	TRUE	5600	4	5
"122-09-8"	"DTXSID9023461"	"Phentermine"	"EPA_DSSTox"	"CC(C)(N)CC1C=CC=CC=1"	"?"	"InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3"	"DHHVAGZRUROJKS-UHFFFAOYSA-N"	FALSE	FALSE	151	2	3
"122-10-1"	"DTXSID3041875"	"Dimethyl 3-hydroxyglutaconate dimethyl phosphate"	"EPA_DSSTox"	"COC(=O)C=C(CC(=O)OC)OP(=O)(OC)OC"	"?"	"InChI=1S/C9H15O8P/c1-13-8(10)5-7(6-9(11)14-2)17-18(12,15-3)16-4/h5H,6H2,1-4H3"	"BZSSHIWHSJYWAD-UHFFFAOYSA-N"	TRUE	FALSE	31	1	2
"122-14-5"	"DTXSID4032613"	"Fenitrothion"	"EPA_DSSTox"	"CC1C=C(C=CC=1[N+]([O-])=O)OP(=S)(OC)OC"	"?"	"InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3"	"ZNOLGFHPUIJIMJ-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"122-15-6"	"DTXSID8041872"	"Dimetan"	"EPA_DSSTox"	"CN(C)C(=O)OC1CC(C)(C)CC(=O)C=1"	"?"	"InChI=1S/C11H17NO3/c1-11(2)6-8(13)5-9(7-11)15-10(14)12(3)4/h5H,6-7H2,1-4H3"	"ITEQSCBLCCNACE-UHFFFAOYSA-N"	FALSE	FALSE	120	2	3
"122-31-6"	"DTXSID70153456"	"1,1,3,3-Tetraethoxypropane"	"EPA_DSSTox"	"CCOC(CC(OCC)OCC)OCC"	"?"	"InChI=1S/C11H24O4/c1-5-12-10(13-6-2)9-11(14-7-3)15-8-4/h10-11H,5-9H2,1-4H3"	"KVJHGPAAOUGYJX-UHFFFAOYSA-N"	FALSE	FALSE	1610	3	4
"122-32-7"	"DTXSID3026988"	"Glyceryl trioleate"	"EPA_DSSTox"	"CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC"	"?"	"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3"	"PHYFQTYBJUILEZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"122-34-9"	"DTXSID4021268"	"Simazine"	"EPA_DSSTox"	"CCNC1=NC(Cl)=NC(NCC)=N1"	"?"	"InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)"	"ODCWYMIRDDJXKW-UHFFFAOYSA-N"	FALSE	FALSE	971	3	4
"122-39-4"	"DTXSID4021975"	"Diphenylamine"	"EPA_DSSTox"	"C1=CC=CC=C1NC1C=CC=CC=1"	"?"	"InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H"	"DMBHHRLKUKUOEG-UHFFFAOYSA-N"	FALSE	FALSE	1120	3	4
"122-42-9"	"DTXSID7020766"	"Propham"	"EPA_DSSTox"	"CC(C)OC(=O)NC1C=CC=CC=1"	"?"	"InChI=1S/C10H13NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)"	"VXPLXMJHHKHSOA-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"122-43-0"	"DTXSID9059541"	"Benzeneacetic acid, butyl ester"	"EPA_DSSTox"	"CCCCOC(=O)CC1C=CC=CC=1"	"?"	"InChI=1S/C12H16O2/c1-2-3-9-14-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3"	"LDOXTQYWWYXYSQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"122-48-5"	"DTXSID8047420"	"4-(4-Hydroxy-3-methoxyphenyl)-2-butanone"	"EPA_DSSTox"	"CC(=O)CCC1=CC(OC)=C(O)C=C1"	"?"	"InChI=1S/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-7,13H,3-4H2,1-2H3"	"OJYLAHXKWMRDGS-UHFFFAOYSA-N"	FALSE	TRUE	2580	3	5
"122-51-0"	"DTXSID8041957"	"Ethyl orthoformate"	"EPA_DSSTox"	"CCOC(OCC)OCC"	"?"	"InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3"	"GKASDNZWUGIAMG-UHFFFAOYSA-N"	FALSE	TRUE	7060	4	5
"122-52-1"	"DTXSID2026991"	"Triethyl phosphite"	"EPA_DSSTox"	"CCOP(OCC)OCC"	"?"	"InChI=1S/C6H15O3P/c1-4-7-10(8-5-2)9-6-3/h4-6H2,1-3H3"	"BDZBKCUKTQZUTL-UHFFFAOYSA-N"	FALSE	FALSE	1840	3	4
"122-57-6"	"DTXSID4025662"	"Methyl styryl ketone"	"EPA_DSSTox"	"CC(=O)C=CC1C=CC=CC=1"	"?"	"InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3"	"BWHOZHOGCMHOBV-UHFFFAOYSA-N"	FALSE	TRUE	2031	3	5
"122-59-8"	"DTXSID9025873"	"Phenoxyacetic acid"	"EPA_DSSTox"	"OC(=O)COC1C=CC=CC=1"	"?"	"InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)"	"LCPDWSOZIOUXRV-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"122-60-1"	"DTXSID8021145"	"Phenyl glycidyl ether"	"EPA_DSSTox"	"C(OC1C=CC=CC=1)C1CO1"	"?"	"InChI=1S/C9H10O2/c1-2-4-8(5-3-1)10-6-9-7-11-9/h1-5,9H,6-7H2"	"FQYUMYWMJTYZTK-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"122-62-3"	"DTXSID7025055"	"Bis(2-ethylhexyl) decanedioate"	"EPA_DSSTox"	"CCCCC(COC(=O)CCCCCCCCC(=O)OCC(CCCC)CC)CC"	"?"	"InChI=1S/C26H50O4/c1-5-9-17-23(7-3)21-29-25(27)19-15-13-11-12-14-16-20-26(28)30-22-24(8-4)18-10-6-2/h23-24H,5-22H2,1-4H3"	"VJHINFRRDQUWOJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"122-63-4"	"DTXSID4044791"	"Benzyl propanoate"	"EPA_DSSTox"	"CCC(=O)OCC1C=CC=CC=1"	"?"	"InChI=1S/C10H12O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3"	"VHOMAPWVLKRQAZ-UHFFFAOYSA-N"	FALSE	TRUE	3300	3	5
"122-68-9"	"DTXSID9047411"	"3-Phenylpropyl cinnamate"	"EPA_DSSTox"	"O=C(C=CC1C=CC=CC=1)OCCCC1C=CC=CC=1"	"?"	"InChI=1S/C18H18O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11,13-14H,7,12,15H2"	"LYRAHIUDQRJGGZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"122-69-0"	"DTXSID7047647"	"3-Phenyl-2-propen-1-yl 3-phenylacrylate"	"EPA_DSSTox"	"O=C(C=CC1C=CC=CC=1)OCC=CC1C=CC=CC=1"	"?"	"InChI=1S/C18H16O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-14H,15H2"	"NQBWNECTZUOWID-UHFFFAOYSA-N"	FALSE	TRUE	4200	3	5
"122-78-1"	"DTXSID3021483"	"Phenylacetaldehyde"	"EPA_DSSTox"	"O=CCC1C=CC=CC=1"	"?"	"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2"	"DTUQWGWMVIHBKE-UHFFFAOYSA-N"	FALSE	FALSE	1550	3	4
"122-82-7"	"DTXSID5044526"	"N-(4-Ethoxyphenyl)-3-oxobutanamide"	"EPA_DSSTox"	"CC(=O)CC(=O)NC1C=CC(=CC=1)OCC"	"?"	"InChI=1S/C12H15NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7H,3,8H2,1-2H3,(H,13,15)"	"WWROGCAUSKGAMX-UHFFFAOYSA-N"	FALSE	FALSE	176	2	3
"122-84-9"	"DTXSID9059545"	"2-Propanone, 1-(4-methoxyphenyl)-"	"EPA_DSSTox"	"CC(=O)CC1=CC=C(C=C1)OC"	"?"	"InChI=1S/C10H12O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3"	"WFWKNGZODAOLEO-UHFFFAOYSA-N"	FALSE	TRUE	3330	3	5
"122-88-3"	"DTXSID9034282"	"4-Chlorophenoxyacetic acid"	"EPA_DSSTox"	"OC(=O)COC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)"	"SODPIMGUZLOIPE-UHFFFAOYSA-N"	FALSE	FALSE	850	3	4
"122-99-6"	"DTXSID9021976"	"2-Phenoxyethanol"	"EPA_DSSTox"	"OCCOC1C=CC=CC=1"	"?"	"InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2"	"QCDWFXQBSFUVSP-UHFFFAOYSA-N"	FALSE	FALSE	1372.5	3	4
"1220-83-3"	"DTXSID8045351"	"Sulfamonomethoxine"	"EPA_DSSTox"	"COC1C=C(NS(=O)(=O)C2C=CC(N)=CC=2)N=CN=1"	"?"	"InChI=1S/C11H12N4O3S/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,14,15)"	"WMPXPUYPYQKQCX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1220-94-6"	"DTXSID8051621"	"C.I. Solvent Violet 12"	"EPA_DSSTox"	"CNC1=CC=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O"	"?"	"InChI=1S/C15H12N2O2/c1-17-11-7-6-10(16)12-13(11)15(19)9-5-3-2-4-8(9)14(12)18/h2-7,17H,16H2,1H3"	"ICVRBKCRXNVOJC-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"122005-23-6"	NA	NA	"Public_CrossChecked"	"OC1(C(Cl)Cl)C(=C(Cl)Cl)C(Cl)(Cl)C(O)C1(Cl)Cl"	"?"	"InChI=1S/C7H4Cl8O2/c8-2(9)1-5(17,4(10)11)7(14,15)3(16)6(1,12)13/h3-4,16-17H"	"NRIHIELKVOSNAZ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"122006-32-0"	NA	NA	"Public_CrossChecked"	"OC1C(Cl)(Cl)C(C=O)=C(C1(Cl)Cl)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C7H3Cl7O2/c8-5(9)2(1-15)3(7(12,13)14)6(10,11)4(5)16/h1,4,16H"	"DXCKXLJBDSYGTI-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"122008-85-9"	"DTXSID1034503"	"Cyhalofop-butyl"	"EPA_DSSTox"	"CCCCOC(=O)C(C)OC1C=CC(=CC=1)OC1C=CC(=CC=1F)C#N"	"?"	"InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3"	"TYIYMOAHACZAMQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"122022-77-9"	NA	NA	"Public_CrossChecked"	"OC1C(Cl)(Cl)C2(OC2Cl)C(=C(Cl)Cl)C1(Cl)Cl"	"?"	"InChI=1S/C7H3Cl7O2/c8-2(9)1-5(4(10)16-5)7(13,14)3(15)6(1,11)12/h3-4,15H"	"PHUXLMFYGOIQKL-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"122089-28-5"	NA	NA	"Public_CrossChecked"	"OC1C(Cl)(Cl)C2(OC2Cl)C(=C(Cl)Cl)C1(Cl)Cl"	"?"	"InChI=1S/C7H3Cl7O2/c8-2(9)1-5(4(10)16-5)7(13,14)3(15)6(1,11)12/h3-4,15H"	"PHUXLMFYGOIQKL-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"1221-56-3"	"DTXSID9048271"	"Ipodate sodium"	"EPA_DSSTox"	"CN(C)C=NC1C(I)=C(CCC(O)=O)C(I)=CC=1I"	"[Na+]"	"InChI=1S/C12H13I3N2O2/c1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19/h5-6H,3-4H2,1-2H3,(H,18,19)"	"YQNFBOJPTAXAKV-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"122185-09-5"	"DTXSID1073816"	"2,15-Dioxa-3,14-disilahexadecane, 3,3,14,14-tetramethoxy-"	"EPA_DSSTox"	"CO[Si](CCCCCCCCCC[Si](OC)(OC)OC)(OC)OC"	"?"	"InChI=1S/C16H38O6Si2/c1-17-23(18-2,19-3)15-13-11-9-7-8-10-12-14-16-24(20-4,21-5)22-6/h7-16H2,1-6H3"	"JFFBPULXPLWPAA-UHFFFAOYSA-N"	FALSE	TRUE	2200	3	5
"1222-05-5"	"DTXSID8027373"	"Cyclopenta[g]-2-benzopyran, 1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethyl-"	"EPA_DSSTox"	"CC1(C)C(C)C(C)(C)C2=CC3COCC(C)C=3C=C12"	"?"	"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"	FALSE	TRUE	NA	NA	5
"1222-57-7"	"DTXSID9057630"	"Zolimidine"	"EPA_DSSTox"	"CS(=O)(=O)C1C=CC(=CC=1)C1=CN2C=CC=CC2=N1"	"?"	"InChI=1S/C14H12N2O2S/c1-19(17,18)12-7-5-11(6-8-12)13-10-16-9-3-2-4-14(16)15-13/h2-10H,1H3"	"VSLIUWLPFRVCDL-UHFFFAOYSA-N"	FALSE	TRUE	3710	3	5
"12222-78-5"	NA	NA	"Public_CrossChecked"	"NC1=CC=C(O)C2=C1C(=O)C1=C(C2=O)C(N)=C(C=C1O)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C20H14N2O5/c21-11-5-6-12(24)15-14(11)19(26)16-13(25)7-10(18(22)17(16)20(15)27)8-1-3-9(23)4-2-8/h1-7,23-25H,21-22H2"	"OXLITIGRBOEDEZ-UHFFFAOYSA-N"	FALSE	TRUE	6380	4	5
"12225-18-2"	"DTXSID9041736"	"C.I. Pigment Yellow 97"	"EPA_DSSTox"	"CC(=O)C(N=NC1C=C(OC)C(=CC=1OC)S(=O)(=O)NC1C=CC=CC=1)C(=O)NC1C=C(OC)C(Cl)=CC=1OC"	"?"	"InChI=1S/C26H27ClN4O8S/c1-15(32)25(26(33)28-18-12-20(36-2)17(27)11-21(18)37-3)30-29-19-13-23(39-5)24(14-22(19)38-4)40(34,35)31-16-9-7-6-8-10-16/h6-14,25,31H,1-5H3,(H,28,33)"	"WNWZKKBGFYKSGA-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"122277-22-9"	"DTXSID90153559"	"Benzoic acid, 2-((aminocarbonyl)oxy)-5-bromo-, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)C1C=C(Br)C=CC=1OC(N)=O"	"?"	"InChI=1S/C10H10BrNO4/c1-2-15-9(13)7-5-6(11)3-4-8(7)16-10(12)14/h3-5H,2H2,1H3,(H2,12,14)"	"FRYMTGAPYWWVQL-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"122277-24-1"	"DTXSID60153561"	"Benzoic acid, 2-((aminocarbonyl)oxy)-5-methyl-, phenyl ester"	"EPA_DSSTox"	"CC1C=C(C(=CC=1)OC(N)=O)C(=O)OC1C=CC=CC=1"	"?"	"InChI=1S/C15H13NO4/c1-10-7-8-13(20-15(16)18)12(9-10)14(17)19-11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,18)"	"UTPCTWMCEYVCFX-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"122277-25-2"	"DTXSID20153562"	"Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 3-methylphenyl ester"	"EPA_DSSTox"	"CC1C=C(C=CC=1)OC(=O)C1C=C(Cl)C=CC=1OC(N)=O"	"?"	"InChI=1S/C15H12ClNO4/c1-9-3-2-4-11(7-9)20-14(18)12-8-10(16)5-6-13(12)21-15(17)19/h2-8H,1H3,(H2,17,19)"	"BKUIJBRIBDXWMR-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1223-31-0"	"DTXSID9061629"	"Benzene, 1,1'-thiobis[4-nitro-"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC(=CC=1)SC1C=CC(=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C12H8N2O4S/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H"	"ZZTJMQPRKBNGNX-UHFFFAOYSA-N"	FALSE	FALSE	1490	3	4
"12237-62-6"	NA	NA	"Public_CrossChecked"	"OC1C=CC(NC2C=CC=CC=2)=C2C=1C(=O)C1C=CC=CC=1C2=O"	"?"	"InChI=1S/C20H13NO3/c22-16-11-10-15(21-12-6-2-1-3-7-12)17-18(16)20(24)14-9-5-4-8-13(14)19(17)23/h1-11,21-22H"	"ZNQIAQXHADXXQI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1224-63-1"	NA	NA	"Public_CrossChecked"	"CCOP(=S)(OC(=CCl)C1C=CC(Cl)=CC=1Cl)OCC"	"?"	"InChI=1S/C12H14Cl3O3PS/c1-3-16-19(20,17-4-2)18-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3"	"COBDTFDDPRCJJX-UHFFFAOYSA-N"	TRUE	FALSE	10	1	2
"122453-73-0"	"DTXSID9032533"	"Chlorfenapyr"	"EPA_DSSTox"	"CCOCN1C(=C(C#N)C(Br)=C1C(F)(F)F)C1C=CC(Cl)=CC=1"	"?"	"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"	FALSE	FALSE	560	3	4
"1225-25-8"	NA	NA	"Public_CrossChecked"	"CN(C)C(C(C)O)C(=O)N(C)C1C=CC(=CC=1)OCC"	"[Cl-]"	"InChI=1S/C15H24N2O3/c1-6-20-13-9-7-12(8-10-13)17(5)15(19)14(11(2)18)16(3)4/h7-11,14,18H,6H2,1-5H3"	"MCLMACLXARTOSR-UHFFFAOYSA-N"	FALSE	FALSE	1350	3	4
"1225-55-4"	"DTXSID8046951"	"Protriptyline hydrochloride"	"EPA_DSSTox"	"CNCCCC1C2C=CC=CC=2C=CC2C=CC=CC=21"	"Cl"	"InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3"	"BWPIARFWQZKAIA-UHFFFAOYSA-N"	FALSE	FALSE	299	2	3
"1225-60-1"	"DTXSID1046845"	"Isothipendyl hydrochloride"	"EPA_DSSTox"	"CN(C)C(C)CN1C2N=CC=CC=2SC2C=CC=CC1=2"	"Cl"	"InChI=1S/C16H19N3S/c1-12(18(2)3)11-19-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)19/h4-10,12H,11H2,1-3H3"	"OQJBSDFFQWMKBQ-UHFFFAOYSA-N"	FALSE	FALSE	1220	3	4
"1225-65-6"	"DTXSID10153632"	"Prothipendyl hydrochloride"	"EPA_DSSTox"	"CN(C)CCCN1C2N=CC=CC=2SC2C=CC=CC1=2"	"Cl"	"InChI=1S/C16H19N3S/c1-18(2)11-6-12-19-13-7-3-4-8-14(13)20-15-9-5-10-17-16(15)19/h3-5,7-10H,6,11-12H2,1-2H3"	"JTTAUPUMOLRVRA-UHFFFAOYSA-N"	FALSE	FALSE	610	3	4
"122548-33-8"	"DTXSID2057946"	"Imazosulfuron"	"EPA_DSSTox"	"COC1=CC(=NC(/N=C(\O)/NS(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)=N1)OC"	"?"	"InChI=1S/C14H13ClN6O5S/c1-25-9-7-10(26-2)18-13(17-9)19-14(22)20-27(23,24)12-11(15)16-8-5-3-4-6-21(8)12/h3-7H,1-2H3,(H2,17,18,19,20,22)"	"NAGRVUXEKKZNHT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"122836-35-5"	"DTXSID6032645"	"Sulfentrazone"	"EPA_DSSTox"	"CC1=NN(C(=O)N1C(F)F)C1=CC(NS(C)(=O)=O)=C(Cl)C=C1Cl"	"?"	"InChI=1S/C11H10Cl2F2N4O3S/c1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13/h3-4,10,17H,1-2H3"	"OORLZFUTLGXMEF-UHFFFAOYSA-N"	FALSE	TRUE	2855	3	5
"1229-29-4"	"DTXSID8045145"	"Doxepin hydrochloride"	"EPA_DSSTox"	"CN(C)CCC=C1C2C=CC=CC=2COC2C=CC=CC=21"	"Cl"	"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"	"ODQWQRRAPPTVAG-UHFFFAOYSA-N"	FALSE	FALSE	147	2	3
"1229-55-6"	"DTXSID3061635"	"2-Naphthalenol, 1-[(2-methoxyphenyl)azo]-"	"EPA_DSSTox"	"COC1C=CC=CC=1N=NC1C(O)=CC=C2C=CC=CC2=1"	"?"	"InChI=1S/C17H14N2O2/c1-21-16-9-5-4-8-14(16)18-19-17-13-7-3-2-6-12(13)10-11-15(17)20/h2-11,20H,1H3"	"ALLOLPOYFRLCCX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1229-69-2"	"DTXSID40153781"	"Soventol hydrochloride"	"EPA_DSSTox"	"CN1CCC(CC1)N(CC1C=CC=CC=1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C19H24N2/c1-20-14-12-19(13-15-20)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3"	"VZSXTYKGYWISGQ-UHFFFAOYSA-N"	FALSE	FALSE	460	2	4
"123-00-2"	"DTXSID4041521"	"4-Morpholinepropanamine"	"EPA_DSSTox"	"NCCCN1CCOCC1"	"?"	"InChI=1S/C7H16N2O/c8-2-1-3-9-4-6-10-7-5-9/h1-8H2"	"UIKUBYKUYUSRSM-UHFFFAOYSA-N"	FALSE	TRUE	3560	3	5
"123-03-5"	"DTXSID6041761"	"Cetylpyridinium chloride"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCC[N+]1C=CC=CC=1"	"[Cl-]"	"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"	FALSE	FALSE	200	2	3
"123-04-6"	"DTXSID40861758"	"3-(Chloromethyl)-heptane"	"EPA_DSSTox"	"CCCCC(CCl)CC"	"?"	"InChI=1S/C8H17Cl/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3"	"WLVCBAMXYMWGLJ-UHFFFAOYSA-N"	FALSE	TRUE	7340	4	5
"123-09-1"	"DTXSID8023973"	"4-Chlorophenyl methyl sulfide"	"EPA_DSSTox"	"CSC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C7H7ClS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3"	"KIQQUVJOLVCZKG-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"123-11-5"	"DTXSID2026997"	"4-Methoxybenzaldehyde"	"EPA_DSSTox"	"COC1C=CC(C=O)=CC=1"	"?"	"InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3"	"ZRSNZINYAWTAHE-UHFFFAOYSA-N"	FALSE	FALSE	1510	3	4
"123-15-9"	"DTXSID9021978"	"2-Methylpentanal"	"EPA_DSSTox"	"CCCC(C)C=O"	"?"	"InChI=1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3"	"FTZILAQGHINQQR-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"123-17-1"	"DTXSID8029159"	"2,6,8-Trimethyl-4-nonanol"	"EPA_DSSTox"	"CC(CC(C)C)CC(O)CC(C)C"	"?"	"InChI=1S/C12H26O/c1-9(2)6-11(5)8-12(13)7-10(3)4/h9-13H,6-8H2,1-5H3"	"LFEHSRSSAGQWNI-UHFFFAOYSA-N"	FALSE	TRUE	17000	4	5
"123-19-3"	"DTXSID6047650"	"4-Heptanone"	"EPA_DSSTox"	"CCCC(=O)CCC"	"?"	"InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3"	"HCFAJYNVAYBARA-UHFFFAOYSA-N"	FALSE	TRUE	3730	3	5
"123-20-6"	"DTXSID0074556"	"Butanoic acid, ethenyl ester"	"EPA_DSSTox"	"CCCC(=O)OC=C"	"?"	"InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h4H,2-3,5H2,1H3"	"MEGHWIAOTJPCHQ-UHFFFAOYSA-N"	FALSE	TRUE	8530	4	5
"123-25-1"	"DTXSID2038732"	"Diethyl butanedioate"	"EPA_DSSTox"	"CCOC(=O)CCC(=O)OCC"	"?"	"InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3"	"DKMROQRQHGEIOW-UHFFFAOYSA-N"	FALSE	TRUE	8530	4	5
"123-29-5"	"DTXSID1047651"	"Ethyl nonanoate"	"EPA_DSSTox"	"CCCCCCCCC(=O)OCC"	"?"	"InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3"	"BYEVBITUADOIGY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"123-32-0"	"DTXSID6047652"	"2,5-Dimethylpyrazine"	"EPA_DSSTox"	"CC1C=NC(C)=CN=1"	"?"	"InChI=1S/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3"	"LCZUOKDVTBMCMX-UHFFFAOYSA-N"	FALSE	FALSE	1020	3	4
"123-33-1"	"DTXSID9020792"	"Maleic hydrazide"	"EPA_DSSTox"	"O=C1C=CC(=O)NN1"	"?"	"InChI=1S/C4H4N2O2/c7-3-1-2-4(8)6-5-3/h1-2H,(H,5,7)(H,6,8)"	"BGRDGMRNKXEXQD-UHFFFAOYSA-N"	FALSE	TRUE	3800	3	5
"123-35-3"	"DTXSID6025692"	"Myrcene"	"EPA_DSSTox"	"CC(C)=CCCC(=C)C=C"	"?"	"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3"	"UAHWPYUMFXYFJY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"123-39-7"	"DTXSID0025608"	"N-Methylformamide"	"EPA_DSSTox"	"CNC=O"	"?"	"InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)"	"ATHHXGZTWNVVOU-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"123-42-2"	"DTXSID6024917"	"Diacetone alcohol"	"EPA_DSSTox"	"CC(=O)CC(C)(C)O"	"?"	"InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3"	"SWXVUIWOUIDPGS-UHFFFAOYSA-N"	FALSE	TRUE	2520	3	5
"123-54-6"	"DTXSID4021979"	"2,4-Pentanedione"	"EPA_DSSTox"	"CC(=O)CC(C)=O"	"?"	"InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3"	"YRKCREAYFQTBPV-UHFFFAOYSA-N"	FALSE	FALSE	570	3	4
"123-56-8"	"DTXSID8051629"	"Succinimide"	"EPA_DSSTox"	"O=C1CCC(=O)N1"	"?"	"InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)"	"KZNICNPSHKQLFF-UHFFFAOYSA-N"	FALSE	TRUE	14000	4	5
"123-62-6"	"DTXSID1027007"	"Propanoic anhydride"	"EPA_DSSTox"	"CCC(=O)OC(=O)CC"	"?"	"InChI=1S/C6H10O3/c1-3-5(7)9-6(8)4-2/h3-4H2,1-2H3"	"WYVAMUWZEOHJOQ-UHFFFAOYSA-N"	FALSE	TRUE	2360	3	5
"123-63-7"	"DTXSID9023419"	"Paraldehyde"	"EPA_DSSTox"	"CC1OC(C)OC(C)O1"	"?"	"InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3"	"SQYNKIJPMDEDEG-UHFFFAOYSA-N"	FALSE	FALSE	1530	3	4
"123-68-2"	"DTXSID1047653"	"Allyl hexanoate"	"EPA_DSSTox"	"CCCCCC(=O)OCC=C"	"?"	"InChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3"	"RCSBILYQLVXLJG-UHFFFAOYSA-N"	FALSE	FALSE	218	2	3
"123-69-3"	"DTXSID20881237"	"Musk"	"EPA_DSSTox"	"O=C1CCCCCC=CCCCCCCCCO1 |c:7|"	"?"	"InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h2,4H,1,3,5-15H2/b4-2-"	"NVIPUOMWGQAOIT-RQOWECAXSA-N"	FALSE	FALSE	339	2	4
"123-72-8"	"DTXSID8021513"	"Butyraldehyde"	"EPA_DSSTox"	"CCCC=O"	"?"	"InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3"	"ZTQSAGDEMFDKMZ-UHFFFAOYSA-N"	FALSE	TRUE	2490	3	5
"123-75-1"	"DTXSID3059559"	"Pyrrolidine"	"EPA_DSSTox"	"C1CCCN1"	"?"	"InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2"	"RWRDLPDLKQPQOW-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"123-76-2"	"DTXSID8021648"	"4-Oxopentanoic acid"	"EPA_DSSTox"	"CC(=O)CCC(O)=O"	"?"	"InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)"	"JOOXCMJARBKPKM-UHFFFAOYSA-N"	FALSE	FALSE	1850	3	4
"123-77-3"	"DTXSID0024553"	"Azodicarbonamide"	"EPA_DSSTox"	"NC(=O)N=NC(N)=O"	"?"	"InChI=1S/C2H4N4O2/c3-1(7)5-6-2(4)8/h(H2,3,7)(H2,4,8)"	"XOZUGNYVDXMRKW-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"123-79-5"	"DTXSID2021606"	"Dioctyl hexanedioate"	"EPA_DSSTox"	"CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC"	"?"	"InChI=1S/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3"	"NEHDRDVHPTWWFG-UHFFFAOYSA-N"	FALSE	TRUE	9110	4	5
"123-81-9"	"DTXSID0044527"	"Ethane-1,2-diyl bis(sulfanylacetate)"	"EPA_DSSTox"	"O=C(CS)OCCOC(=O)CS"	"?"	"InChI=1S/C6H10O4S2/c7-5(3-11)9-1-2-10-6(8)4-12/h11-12H,1-4H2"	"PSYGHMBJXWRQFD-UHFFFAOYSA-N"	FALSE	FALSE	330	2	4
"123-86-4"	"DTXSID3021982"	"Butyl acetate"	"EPA_DSSTox"	"CCCCOC(C)=O"	"?"	"InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3"	"DKPFZGUDAPQIHT-UHFFFAOYSA-N"	FALSE	TRUE	10718	4	5
"123-91-1"	"DTXSID4020533"	"1,4-Dioxane"	"EPA_DSSTox"	"C1COCCO1"	"?"	"InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2"	"RYHBNJHYFVUHQT-UHFFFAOYSA-N"	FALSE	TRUE	4200	3	5
"123-92-2"	"DTXSID9025453"	"3-Methylbutyl acetate"	"EPA_DSSTox"	"CC(C)CCOC(C)=O"	"?"	"InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3"	"MLFHJEHSLIIPHL-UHFFFAOYSA-N"	FALSE	TRUE	16600	4	5
"123-95-5"	"DTXSID5027013"	"Octadecanoic acid, butyl ester"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCC(=O)OCCCC"	"?"	"InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h3-21H2,1-2H3"	"ULBTUVJTXULMLP-UHFFFAOYSA-N"	FALSE	TRUE	32000	4	5
"123-96-6"	"DTXSID0027014"	"2-Octanol"	"EPA_DSSTox"	"CCCCCCC(C)O"	"?"	"InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3"	"SJWFXCIHNDVPSH-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"123-99-9"	"DTXSID8021640"	"Nonanedioic acid"	"EPA_DSSTox"	"OC(=O)CCCCCCCC(O)=O"	"?"	"InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)"	"BDJRBEYXGGNYIS-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"123172-44-1"	"DTXSID50153878"	"2(3H)-Benzoxazolone, 6-(4-chlorobenzoyl)-3-methyl-"	"EPA_DSSTox"	"CN1C2C=CC(=CC=2OC1=O)C(=O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C15H10ClNO3/c1-17-12-7-4-10(8-13(12)20-15(17)19)14(18)9-2-5-11(16)6-3-9/h2-8H,1H3"	"CFTKMMJMJRFCBZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"123172-45-2"	"DTXSID10153879"	"Methanone, (4-amino-3-hydroxyphenyl)(4-chlorophenyl)-"	"EPA_DSSTox"	"NC1C=CC(=CC=1O)C(=O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C13H10ClNO2/c14-10-4-1-8(2-5-10)13(17)9-3-6-11(15)12(16)7-9/h1-7,16H,15H2"	"BMOVNFRJTYCMBI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"123172-46-3"	"DTXSID20153880"	"Methanone, (4-chlorophenyl)(3-hydroxy-4-(methylamino)phenyl)-"	"EPA_DSSTox"	"CNC1C=CC(=CC=1O)C(=O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C14H12ClNO2/c1-16-12-7-4-10(8-13(12)17)14(18)9-2-5-11(15)6-3-9/h2-8,16-17H,1H3"	"NCWHJCRHMVXAIN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"123172-48-5"	"DTXSID40153882"	"1-Butanone, 1-(3-hydroxy-4-(methylamino)phenyl)-"	"EPA_DSSTox"	"CCCC(=O)C1=CC(O)=C(C=C1)NC"	"?"	"InChI=1S/C11H15NO2/c1-3-4-10(13)8-5-6-9(12-2)11(14)7-8/h5-7,12,14H,3-4H2,1-2H3"	"SAUMSXJWDAYTLN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"123172-49-6"	NA	NA	"Public_CrossChecked"	"CC1OC2C=C(C=CC=2NC1=O)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C16H13NO3/c1-10-16(19)17-13-8-7-12(9-14(13)20-10)15(18)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,19)"	"JKWSYIDKCIEIMG-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"123172-50-9"	NA	NA	"Public_CrossChecked"	"CC1OC2C=C(C=CC=2N(C)C1=O)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C17H15NO3/c1-11-17(20)18(2)14-9-8-13(10-15(14)21-11)16(19)12-6-4-3-5-7-12/h3-11H,1-2H3"	"VJTIMODGBHVQBL-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"123172-52-1"	NA	NA	"Public_CrossChecked"	"CC1OC2C=C(C=CC=2N(C)C1=O)C(=O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C17H14ClNO3/c1-10-17(21)19(2)14-8-5-12(9-15(14)22-10)16(20)11-3-6-13(18)7-4-11/h3-10H,1-2H3"	"LJOKGNARINNGRK-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"123172-53-2"	NA	NA	"Public_CrossChecked"	"CCCC(=O)C1C=C2OC(C)C(=O)N(C)C2=CC=1"	"?"	"InChI=1S/C14H17NO3/c1-4-5-12(16)10-6-7-11-13(8-10)18-9(2)14(17)15(11)3/h6-9H,4-5H2,1-3H3"	"URXLWCOMYBVKCA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"123172-54-3"	NA	NA	"Public_CrossChecked"	"CC1OC2C=C(C=CC=2N(C)C1=O)C(=O)C1=CC=CS1"	"?"	"InChI=1S/C15H13NO3S/c1-9-15(18)16(2)11-6-5-10(8-12(11)19-9)14(17)13-4-3-7-20-13/h3-9H,1-2H3"	"WXYNOWBYYNYICR-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"123172-56-5"	NA	NA	"Public_CrossChecked"	"CN1C2C=CC(=CC=2OCC1=O)C(=O)C=CC1C=CC=CC=1"	"?"	"InChI=1S/C18H15NO3/c1-19-15-9-8-14(11-17(15)22-12-18(19)21)16(20)10-7-13-5-3-2-4-6-13/h2-11H,12H2,1H3"	"MDJXVHUTJSOPKH-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"123172-57-6"	NA	NA	"Public_CrossChecked"	"CC1OC2C=C(C=CC=2N(C)C1=O)C(=O)C=CC1C=CC=CC=1"	"?"	"InChI=1S/C19H17NO3/c1-13-19(22)20(2)16-10-9-15(12-18(16)23-13)17(21)11-8-14-6-4-3-5-7-14/h3-13H,1-2H3"	"IXWYQDCVFURGMV-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"123172-59-8"	NA	NA	"Public_CrossChecked"	"CN1C2C=CC(=CC=2OCC1=O)C(=O)C=CC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C18H14ClNO3/c1-20-15-8-5-13(10-17(15)23-11-18(20)22)16(21)9-4-12-2-6-14(19)7-3-12/h2-10H,11H2,1H3"	"CDHDRCHWXVJROE-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"123172-61-2"	NA	NA	"Public_CrossChecked"	"CN1C2C=CC(=CC=2OC(C)(C)C1=O)C(=O)C=CC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C20H18ClNO3/c1-20(2)19(24)22(3)16-10-7-14(12-18(16)25-20)17(23)11-6-13-4-8-15(21)9-5-13/h4-12H,1-3H3"	"DDBAPLKUMALLQA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"123172-62-3"	NA	NA	"Public_CrossChecked"	"CN1C2C=CC(=CC=2OCC1=O)C(=O)C=CC1C=CC(O)=CC=1"	"?"	"InChI=1S/C18H15NO4/c1-19-15-8-5-13(10-17(15)23-11-18(19)22)16(21)9-4-12-2-6-14(20)7-3-12/h2-10,20H,11H2,1H3"	"ADAJBKBDAHQLEX-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"123172-63-4"	NA	NA	"Public_CrossChecked"	"CC1OC2C=C(C=CC=2N(C)C1=O)C(=O)C=CC1C=CC(O)=CC=1"	"?"	"InChI=1S/C19H17NO4/c1-12-19(23)20(2)16-9-6-14(11-18(16)24-12)17(22)10-5-13-3-7-15(21)8-4-13/h3-12,21H,1-2H3"	"KAGLCVWAMJWCFL-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"123199-92-8"	NA	NA	"Public_CrossChecked"	"CCC1(C)CC(CC)=NN1C(=O)NC(=O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C16H20ClN3O2/c1-4-13-10-16(3,5-2)20(19-13)15(22)18-14(21)11-6-8-12(17)9-7-11/h6-9H,4-5,10H2,1-3H3,(H,18,21,22)"	"UCCQIFJEEGFSCK-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"123199-93-9"	"DTXSID70153890"	"Benzamide, 4-chloro-N-(((4,6-diamino-1,3,5-triazin-2-yl)amino)carbonyl)-"	"EPA_DSSTox"	"NC1=NC(NC(=O)NC(=O)C2C=CC(Cl)=CC=2)=NC(N)=N1"	"?"	"InChI=1S/C11H10ClN7O2/c12-6-3-1-5(2-4-6)7(20)15-11(21)19-10-17-8(13)16-9(14)18-10/h1-4H,(H6,13,14,15,16,17,18,19,20,21)"	"WUWDXTXYFWLRLB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"123199-94-0"	"DTXSID30153891"	"Acetamide, N-((((4-methylphenyl)sulfonyl)amino)carbonyl)-2,2,2-trichloro-"	"EPA_DSSTox"	"CC1C=CC(=CC=1)S(=O)(=O)NC(=O)NC(=O)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C10H9Cl3N2O4S/c1-6-2-4-7(5-3-6)20(18,19)15-9(17)14-8(16)10(11,12)13/h2-5H,1H3,(H2,14,15,16,17)"	"LRMLKMTZWHAJTN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"123252-97-1"	"DTXSID90153913"	"2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 6-chloro-2-methyl-4-((3-methyl-2-butenyl)oxy)-N-(2-pyridinyl)-, 1,1-dioxide"	"EPA_DSSTox"	"CC(C)=CCOC1=C(C(=O)NC2C=CC=CN=2)N(C)S(=O)(=O)C2C=C(Cl)SC=21"	"?"	"InChI=1S/C18H18ClN3O4S2/c1-11(2)7-9-26-16-15(18(23)21-14-6-4-5-8-20-14)22(3)28(24,25)12-10-13(19)27-17(12)16/h4-8,10H,9H2,1-3H3,(H,20,21,23)"	"NVVWBKQJPSUFLM-UHFFFAOYSA-N"	TRUE	FALSE	NA	1	2
"123252-99-3"	NA	NA	"Public_CrossChecked"	"CC(C)=CC(NC(=O)C1C(=O)C2SC(Cl)=CC=2S(=O)(=O)N1C)[N+]1C=CC=CC=1"	"?"	"InChI=1S/C18H18ClN3O4S2/c1-11(2)9-14(22-7-5-4-6-8-22)20-18(24)15-16(23)17-12(10-13(19)27-17)28(25,26)21(15)3/h4-10,14-15H,1-3H3/p+1"	"MCOFOXMUNITMDL-UHFFFAOYSA-O"	TRUE	FALSE	10	1	2
"123253-01-0"	"DTXSID70153916"	"Propanedioic acid, 2,2-dimethyl-, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl methyl ester, S,S-dioxide"	"EPA_DSSTox"	"COC(=O)C(C)(C)C(=O)OC1C2SC(Cl)=CC=2S(=O)(=O)N(C)C=1C(=O)NC1C=CC=CN=1"	"?"	"InChI=1S/C19H18ClN3O7S2/c1-19(2,17(25)29-4)18(26)30-14-13(16(24)22-12-7-5-6-8-21-12)23(3)32(27,28)10-9-11(20)31-15(10)14/h5-9H,1-4H3,(H,21,22,24)"	"DSRNSJLBASDURF-UHFFFAOYSA-N"	TRUE	FALSE	NA	1	2
"123253-02-1"	"DTXSID30153917"	"2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 6-chloro-4-(1,3,2-dioxaphosphorinan-2-yloxy)-2-methyl-N-pyridinyl-, P,1,1-trioxide"	"EPA_DSSTox"	"CN1C(=C(OP2(=O)OCCCO2)C2SC(Cl)=CC=2S1(=O)=O)C(=O)NC1C=CC=CN=1"	"?"	"InChI=1S/C16H15ClN3O7PS2/c1-20-13(16(21)19-12-5-2-3-6-18-12)14(27-28(22)25-7-4-8-26-28)15-10(30(20,23)24)9-11(17)29-15/h2-3,5-6,9H,4,7-8H2,1H3,(H,18,19,21)"	"PYWHYRLCIYHAEJ-UHFFFAOYSA-N"	TRUE	FALSE	NA	1	2
"123253-03-2"	NA	NA	"Public_CrossChecked"	"CN1C2=C(OC(=COCCOC)N(C3C=CC=CN=3)C2=O)C2SC(Cl)=CC=2S1(=O)=O"	"?"	"InChI=1S/C18H16ClN3O6S2/c1-21-15-16(17-11(30(21,24)25)9-12(19)29-17)28-14(10-27-8-7-26-2)22(18(15)23)13-5-3-4-6-20-13/h3-6,9-10H,7-8H2,1-2H3"	"QHBQWKHCXLVGNL-UHFFFAOYSA-N"	TRUE	FALSE	NA	1	2
"123253-05-4"	"DTXSID50153919"	"Hexadecanoic acid, 2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCC(=O)OC1=C(C(=O)NC2C=CC=CN=2)N(C)S(=O)(=O)C2C=CSC=21"	"?"	"InChI=1S/C29H41N3O5S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25(33)37-27-26(29(34)31-24-18-16-17-21-30-24)32(2)39(35,36)23-20-22-38-28(23)27/h16-18,20-22H,3-15,19H2,1-2H3,(H,30,31,34)"	"YWIXVCULZRFYEG-UHFFFAOYSA-N"	TRUE	FALSE	NA	1	2
"123253-06-5"	"DTXSID60153920"	"2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 4,6-dihydroxy-2-methyl-N-2-pyridinyl-, 1,1-dioxide"	"EPA_DSSTox"	"CN1C(C(=O)NC2C=CC=CN=2)=C(O)C2SC(O)=CC=2S1(=O)=O"	"?"	"InChI=1S/C13H11N3O5S2/c1-16-10(13(19)15-8-4-2-3-5-14-8)11(18)12-7(23(16,20)21)6-9(17)22-12/h2-6,17-18H,1H3,(H,14,15,19)"	"FEVQWVPIWHKZSP-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"123253-07-6"	"DTXSID20153921"	"2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 4-hydroxy-6-methoxy-2-methyl-N-2-pyridinyl-, 1,1-dioxide"	"EPA_DSSTox"	"CN1C(=C(O)C2SC(=CC=2S1(=O)=O)OC)C(=O)NC1C=CC=CN=1"	"?"	"InChI=1S/C14H13N3O5S2/c1-17-11(14(19)16-9-5-3-4-6-15-9)12(18)13-8(24(17,20)21)7-10(22-2)23-13/h3-7,18H,1-2H3,(H,15,16,19)"	"CQBCGDPZIVQZNQ-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"123277-33-8"	"DTXSID60153925"	"Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide"	"EPA_DSSTox"	"CN1C(=C(OC(=O)C23CC4CC(C2)CC(C3)C4)C2SC(Cl)=CC=2S1(=O)=O)C(=O)NC1C=CC=CN=1"	"?"	"InChI=1S/C24H24ClN3O5S2/c1-28-19(22(29)27-18-4-2-3-5-26-18)20(21-16(35(28,31)32)9-17(25)34-21)33-23(30)24-10-13-6-14(11-24)8-15(7-13)12-24/h2-5,9,13-15H,6-8,10-12H2,1H3,(H,26,27,29)"	"AWDLXVOASZJACC-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"123277-34-9"	NA	NA	"Public_CrossChecked"	"CN1c2c(=O)[n](C3CCCCC3)c(=NC3CCCCC3)oc2C2SC(Cl)=CC=2S1(=O)=O"	"?"	"InChI=1S/C21H26ClN3O4S2/c1-24-17-18(19-15(31(24,27)28)12-16(22)30-19)29-21(23-13-8-4-2-5-9-13)25(20(17)26)14-10-6-3-7-11-14/h12-14H,2-11H2,1H3"	"DUMCHUWJGFOZMF-UHFFFAOYSA-N"	TRUE	FALSE	NA	1	2
"123277-35-0"	"DTXSID20153926"	"Benzoic acid, 4-methoxy-, 2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide"	"EPA_DSSTox"	"COC1C=CC(=CC=1)C(=O)OC1=C(C(=O)NC2C=CC=CN=2)N(C)S(=O)(=O)C2C=CSC=21"	"?"	"InChI=1S/C21H17N3O6S2/c1-24-17(20(25)23-16-5-3-4-11-22-16)18(19-15(10-12-31-19)32(24,27)28)30-21(26)13-6-8-14(29-2)9-7-13/h3-12H,1-2H3,(H,22,23,25)"	"XHWXIBRWSGTWSD-UHFFFAOYSA-N"	TRUE	FALSE	NA	1	2
"123298-28-2"	"DTXSID30153932"	"Alanine, N-(2,6-dimethylphenyl)-N-methoxy-, methyl ester"	"EPA_DSSTox"	"CC1C=CC=C(C)C=1N(OC)C(C)C(=O)OC"	"?"	"InChI=1S/C13H19NO3/c1-9-7-6-8-10(2)12(9)14(17-5)11(3)13(15)16-4/h6-8,11H,1-5H3"	"OABBFKUSJCCJFO-UHFFFAOYSA-N"	FALSE	FALSE	566	3	4
"123312-89-0"	"DTXSID2032637"	"Pymetrozine"	"EPA_DSSTox"	"CC1CN(N=CC2C=CC=NC=2)C(=O)NN=1"	"?"	"InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)"	"QHMTXANCGGJZRX-UHFFFAOYSA-N"	FALSE	TRUE	5693	4	5
"1235-82-1"	"DTXSID2047856"	"Biperiden hydrochloride"	"EPA_DSSTox"	"OC(CCN1CCCCC1)(C1CC2CC1C=C2)C1C=CC=CC=1"	"Cl"	"InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2"	"YSXKPIUOCJLQIE-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"123524-52-7"	"DTXSID3020120"	"Azelnidipine"	"EPA_DSSTox"	"CC1NC(N)=C(C(C=1C(=O)OC(C)C)C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC1CN(C1)C(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C33H34N4O6/c1-20(2)42-32(38)27-21(3)35-31(34)29(28(27)24-15-10-16-25(17-24)37(40)41)33(39)43-26-18-36(19-26)30(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-17,20,26,28,30,35H,18-19,34H2,1-3H3"	"ZKFQEACEUNWPMT-UHFFFAOYSA-N"	FALSE	FALSE	1267	3	4
"123886-62-4"	"DTXSID50154128"	"Ethanol, 2-(4-(7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)-"	"EPA_DSSTox"	"COC1C=CC2=C(C=1)OC(C)(C)C(=C2C1C=CC(=CC=1)OCCO)C1C=CC=CC=1"	"?"	"InChI=1S/C26H26O4/c1-26(2)25(19-7-5-4-6-8-19)24(18-9-11-20(12-10-18)29-16-15-27)22-14-13-21(28-3)17-23(22)30-26/h4-14,17,27H,15-16H2,1-3H3"	"MABKBYVHTXAUDN-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"123886-65-7"	"DTXSID80154131"	"Ethanamine, 2-(4-(7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)-, hydrochloride"	"EPA_DSSTox"	"COC1C=CC2=C(C=1)OC(C)(C)C(=C2C1C=CC(=CC=1)OCCN)C1C=CC=CC=1"	"?"	"InChI=1S/C26H27NO3/c1-26(2)25(19-7-5-4-6-8-19)24(18-9-11-20(12-10-18)29-16-15-27)22-14-13-21(28-3)17-23(22)30-26/h4-14,17H,15-16,27H2,1-3H3"	"UGCRBHYVWGIGJU-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"123886-68-0"	"DTXSID00154133"	"2H-1-Benzopyran, 4-(4-(2-bromoethoxy)phenyl)-3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-, trans-"	"EPA_DSSTox"	"COC1C=CC2C(C(C3C=CC=CC=3)C(C)(C)OC=2C=1)C1C=CC(=CC=1)OCCBr"	"?"	"InChI=1S/C26H27BrO3/c1-26(2)25(19-7-5-4-6-8-19)24(18-9-11-20(12-10-18)29-16-15-27)22-14-13-21(28-3)17-23(22)30-26/h4-14,17,24-25H,15-16H2,1-3H3"	"RAXILLWCRCHLGT-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"123886-69-1"	"DTXSID60154134"	"2H-1-Benzopyran, 3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-4-(4-(2-propenyloxy)phenyl)-, trans-"	"EPA_DSSTox"	"COC1C=CC2C(C(C3C=CC=CC=3)C(C)(C)OC=2C=1)C1C=CC(=CC=1)OCC=C"	"?"	"InChI=1S/C27H28O3/c1-5-17-29-21-13-11-19(12-14-21)25-23-16-15-22(28-4)18-24(23)30-27(2,3)26(25)20-9-7-6-8-10-20/h5-16,18,25-26H,1,17H2,2-4H3"	"IDDRFDFLMSNJBD-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"123886-70-4"	"DTXSID20154135"	"2H-1-Benzopyran, 4-(4-(3-chloropropoxy)phenyl)-3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-, trans-"	"EPA_DSSTox"	"COC1C=CC2C(C(C3C=CC=CC=3)C(C)(C)OC=2C=1)C1C=CC(=CC=1)OCCCCl"	"?"	"InChI=1S/C27H29ClO3/c1-27(2)26(20-8-5-4-6-9-20)25(23-15-14-22(29-3)18-24(23)31-27)19-10-12-21(13-11-19)30-17-7-16-28/h4-6,8-15,18,25-26H,7,16-17H2,1-3H3"	"SXOACFIXVKBUQZ-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"12389-75-2"	"DTXSID0065305"	"Ferrate(2-), [rel-[N(R)]-N-[2-[bis[(carboxy-.kappa.O)methyl]amino-.kappa.N]ethyl]-N-[2-[(S)-[(carboxy-.kappa.O)methyl](carboxymethyl)amino-.kappa.N]ethyl]glycinato(5-)-.kappa.N,.kappa.O]-, sodium hydrogen (1:1:1), (PB-7-13-12564)-"	"EPA_DSSTox"	"OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O"	"[Fe+3].[Na+]"	"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"	FALSE	TRUE	NA	3	5
"1239-45-8"	"DTXSID8025258"	"Ethidium bromide"	"EPA_DSSTox"	"CC[N+]1=C(C2C=C(N)C=CC=2C2C=CC(N)=CC1=2)C1C=CC=CC=1"	"[Br-]"	"InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1"	"QTANTQQOYSUMLC-UHFFFAOYSA-O"	FALSE	TRUE	NA	3	5
"124-02-7"	"DTXSID1024918"	"Diallylamine"	"EPA_DSSTox"	"C=CCNCC=C"	"?"	"InChI=1S/C6H11N/c1-3-5-7-6-4-2/h3-4,7H,1-2,5-6H2"	"DYUWTXWIYMHBQS-UHFFFAOYSA-N"	FALSE	FALSE	578	3	4
"124-03-8"	"DTXSID2041759"	"Ethylhexadecyldimethylammonium bromide"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCC[N+](C)(C)CC"	"[Br-]"	"InChI=1S/C20H44N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2/h5-20H2,1-4H3/q+1"	"VCAVAURZPNANDQ-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"124-04-9"	"DTXSID7021605"	"Hexanedioic acid"	"EPA_DSSTox"	"OC(=O)CCCCC(O)=O"	"?"	"InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)"	"WNLRTRBMVRJNCN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"124-09-4"	"DTXSID5024922"	"1,6-Hexanediamine"	"EPA_DSSTox"	"NCCCCCCN"	"?"	"InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2"	"NAQMVNRVTILPCV-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"124-13-0"	"DTXSID3021643"	"Octanal"	"EPA_DSSTox"	"CCCCCCCC=O"	"?"	"InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3"	"NUJGJRNETVAIRJ-UHFFFAOYSA-N"	FALSE	TRUE	5630	4	5
"124-17-4"	"DTXSID9027021"	"2-(2-Butoxyethoxy)ethyl acetate"	"EPA_DSSTox"	"CCCCOCCOCCOC(C)=O"	"?"	"InChI=1S/C10H20O4/c1-3-4-5-12-6-7-13-8-9-14-10(2)11/h3-9H2,1-2H3"	"VXQBJTKSVGFQOL-UHFFFAOYSA-N"	FALSE	TRUE	6500	4	5
"124-19-6"	"DTXSID9021639"	"Nonanal"	"EPA_DSSTox"	"CCCCCCCCC=O"	"?"	"InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3"	"GYHFUZHODSMOHU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"124-22-1"	"DTXSID3021984"	"1-Dodecanamine"	"EPA_DSSTox"	"CCCCCCCCCCCCN"	"?"	"InChI=1S/C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-13H2,1H3"	"JRBPAEWTRLWTQC-UHFFFAOYSA-N"	FALSE	FALSE	1020	3	4
"124-25-4"	"DTXSID1021665"	"Tetradecanal"	"EPA_DSSTox"	"CCCCCCCCCCCCCC=O"	"?"	"InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h14H,2-13H2,1H3"	"UHUFTBALEZWWIH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"124-28-7"	"DTXSID4027026"	"N,N-Dimethyl-1-octadecanamine"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCCN(C)C"	"?"	"InChI=1S/C20H43N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h4-20H2,1-3H3"	"NAPSCFZYZVSQHF-UHFFFAOYSA-N"	FALSE	TRUE	2116	3	5
"124-41-4"	"DTXSID8027030"	"Methanol, sodium salt"	"EPA_DSSTox"	"CO"	"[Na+]"	"InChI=1S/CH4O/c1-2/h2H,1H3"	"OKKJLVBELUTLKV-UHFFFAOYSA-N"	FALSE	FALSE	1682	3	4
"124-48-1"	"DTXSID1020300"	"Chlorodibromomethane"	"EPA_DSSTox"	"ClC(Br)Br"	"?"	"InChI=1S/CHBr2Cl/c2-1(3)4/h1H"	"GATVIKZLVQHOMN-UHFFFAOYSA-N"	FALSE	FALSE	370	2	4
"124-76-5"	"DTXSID2042060"	"Isoborneol"	"EPA_DSSTox"	"CC1(C)C2CC(O)C1(C)CC2"	"?"	"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"	FALSE	TRUE	5200	4	5
"12408-07-0"	NA	NA	"Public_CrossChecked"	"N#CC(Cl)(Cl)CCl"	"?"	"InChI=1S/C3H2Cl3N/c4-1-3(5,6)2-7/h1H2"	"XMVOGXZDRUZXAP-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"124391-91-9"	"DTXSID10154301"	"Ethyl 2-(4'-carboxybenzamido)-4-propionamidobenzoate"	"EPA_DSSTox"	"CCOC(=O)C1C=CC(=CC=1NC(=O)C1C=CC(=CC=1)C(O)=O)NC(=O)CC"	"[Na+]"	"InChI=1S/C20H20N2O6/c1-3-17(23)21-14-9-10-15(20(27)28-4-2)16(11-14)22-18(24)12-5-7-13(8-6-12)19(25)26/h5-11H,3-4H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)"	"BUBVVEAEAWHBBD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"124416-41-7"	NA	NA	"Public_CrossChecked"	"CC1=NC(C)=C(C(C1C(=O)OCCN1CCN(CC1)C(C1C=CC=CC=1)C1C=CC=CC=1)C1=CC(=CC=C1)[N+]([O-])=O)P1(=O)OCC(C)(C)CO1"	"Cl"	"InChI=1S/C38H45N4O7P/c1-27-33(34(31-16-11-17-32(24-31)42(44)45)36(28(2)39-27)50(46)48-25-38(3,4)26-49-50)37(43)47-23-22-40-18-20-41(21-19-40)35(29-12-7-5-8-13-29)30-14-9-6-10-15-30/h5-17,24,33-35H,18-23,25-26H2,1-4H3"	"WXIWRYGBOIZMDU-UHFFFAOYSA-N"	FALSE	FALSE	194	2	3
"124428-11-1"	"DTXSID0073829"	"Quinazoline, 4-[2-(1,1'-biphenyl)-4-ylethoxy]-"	"EPA_DSSTox"	"C(COC1=NC=NC2=CC=CC=C21)C1C=CC(=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C22H18N2O/c1-2-6-18(7-3-1)19-12-10-17(11-13-19)14-15-25-22-20-8-4-5-9-21(20)23-16-24-22/h1-13,16H,14-15H2"	"XXRCKOLZQMKPAR-UHFFFAOYSA-N"	FALSE	FALSE	1150	3	4
"124495-18-7"	"DTXSID2034881"	"Quinoxyfen"	"EPA_DSSTox"	"FC1C=CC(=CC=1)OC1=CC=NC2C=C(Cl)C=C(Cl)C=21"	"?"	"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"	FALSE	TRUE	NA	4	5
"1245-44-9"	NA	NA	"Public_CrossChecked"	"CCC(OC1C=CC=CC=1)C(=O)NC1C2SC(C)(C)C(C(O)=O)N2C1=O"	"[K+]"	"InChI=1S/C18H22N2O5S/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24)"	"HOCWPKXKMNXINF-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"124824-14-2"	"DTXSID40154495"	"B 193"	"EPA_DSSTox"	"CN1C2C(=O)N(CCCN3CCN(CC3)C3C=CC=CC=3)CCC=2C2C=CC=CC1=2"	"Cl.Cl"	"InChI=1S/C25H30N4O/c1-26-23-11-6-5-10-21(23)22-12-15-29(25(30)24(22)26)14-7-13-27-16-18-28(19-17-27)20-8-3-2-4-9-20/h2-6,8-11H,7,12-19H2,1H3"	"RYHQBVCKCSNVHZ-UHFFFAOYSA-N"	FALSE	FALSE	650	3	4
"1249-84-9"	"DTXSID8058297"	"Azocosterol HCl"	"EPA_DSSTox"	"CN(C)CCCN(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C"	"Cl.Cl"	"InChI=1S/C25H44N2O/c1-24-13-11-19(28)17-18(24)7-8-20-21-9-10-23(25(21,2)14-12-22(20)24)27(5)16-6-15-26(3)4/h7,19-23,28H,6,8-17H2,1-5H3"	"FMTFZYKYVZBISL-UHFFFAOYSA-N"	FALSE	FALSE	470	2	4
"124978-79-6"	NA	NA	"Public_CrossChecked"	"CN(CCO)CC1=CC(=CC(=C1O)C(C)(C)C)C(=O)C1=CC=CS1"	"?"	"InChI=1S/C19H25NO3S/c1-19(2,3)15-11-13(18(23)16-6-5-9-24-16)10-14(17(15)22)12-20(4)7-8-21/h5-6,9-11,21-22H,7-8,12H2,1-4H3"	"OOOSYHOYONXZQQ-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"125-13-3"	"DTXSID5044528"	"Oxyphenisatin"	"EPA_DSSTox"	"OC1C=CC(=CC=1)C1(C(=O)NC2=CC=CC=C12)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C20H15NO3/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)17-3-1-2-4-18(17)21-19(20)24/h1-12,22-23H,(H,21,24)"	"SJDACOMXKWHBOW-UHFFFAOYSA-N"	FALSE	FALSE	90	2	3
"125-29-1"	"DTXSID8023131"	"Hydrocodone"	"EPA_DSSTox"	"COC1C=CC2CC3C4CCC(=O)C5OC=1C=2C45CCN3C"	"?"	"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"	FALSE	FALSE	375	2	4
"125-33-7"	"DTXSID7023510"	"Primidone"	"EPA_DSSTox"	"CCC1(C(=O)NCNC1=O)C1C=CC=CC=1"	"?"	"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"	FALSE	FALSE	1500	3	4
"125-51-9"	"DTXSID2023480"	"Pipenzolate bromide"	"EPA_DSSTox"	"CC[N+]1(C)CC(CCC1)OC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1"	"[Br-]"	"InChI=1S/C22H28NO3/c1-3-23(2)16-10-15-20(17-23)26-21(24)22(25,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20,25H,3,10,15-17H2,1-2H3/q+1"	"WPUKUEMZZRVAKZ-UHFFFAOYSA-N"	FALSE	FALSE	916	3	4
"125-52-0"	"DTXSID6045909"	"Oxyphencyclimine hydrochloride"	"EPA_DSSTox"	"CN1CCCN=C1COC(=O)C(O)(C1CCCCC1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C20H28N2O3/c1-22-14-8-13-21-18(22)15-25-19(23)20(24,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17,24H,3,6-8,11-15H2,1H3"	"DUDKAZCAISNGQN-UHFFFAOYSA-N"	FALSE	FALSE	1370	3	4
"125-64-4"	"DTXSID7023306"	"Methyprylon"	"EPA_DSSTox"	"CC1CNC(=O)C(CC)(CC)C1=O"	"?"	"InChI=1S/C10H17NO2/c1-4-10(5-2)8(12)7(3)6-11-9(10)13/h7H,4-6H2,1-3H3,(H,11,13)"	"SIDLZWOQUZRBRU-UHFFFAOYSA-N"	FALSE	FALSE	860	3	4
"125-68-8"	"DTXSID80872363"	"Levomethorphan hydrobromide"	"EPA_DSSTox"	"COC1C=C2C(CC3C4CCCCC24CCN3C)=CC=1"	"Br"	"InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3"	"MKXZASYAUGDDCJ-UHFFFAOYSA-N"	FALSE	FALSE	242	2	3
"125-69-9"	"DTXSID60872346"	"Dextromethorphan hydrobromide"	"EPA_DSSTox"	"COC1C=C2C(CC3C4CCCCC24CCN3C)=CC=1"	"Br"	"InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3"	"MKXZASYAUGDDCJ-UHFFFAOYSA-N"	FALSE	FALSE	350	2	4
"125-99-5"	"DTXSID00875351"	"Tridihexethyl Iodide"	"EPA_DSSTox"	"CC[N+](CCC(O)(C1CCCCC1)C1C=CC=CC=1)(CC)CC"	"[I-]"	"InChI=1S/C21H36NO/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3/q+1"	"NPRHVSBSZMAEIN-UHFFFAOYSA-N"	FALSE	FALSE	1100	3	4
"125055-51-8"	"DTXSID60154558"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-4-oxo-N-propyl-"	"EPA_DSSTox"	"CC1=CC=CC2=NC=C(C(=O)N12)C(=O)NCCC"	"?"	"InChI=1S/C13H15N3O2/c1-3-7-14-12(17)10-8-15-11-6-4-5-9(2)16(11)13(10)18/h4-6,8H,3,7H2,1-2H3,(H,14,17)"	"QXNVINMXZOJLEE-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"125055-52-9"	"DTXSID20154559"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-N-(1-methylethyl)-4-oxo-"	"EPA_DSSTox"	"CC1=CC=CC2=NC=C(C(=O)N12)C(=O)NC(C)C"	"?"	"InChI=1S/C13H15N3O2/c1-8(2)15-12(17)10-7-14-11-6-4-5-9(3)16(11)13(10)18/h4-8H,1-3H3,(H,15,17)"	"HKJMQPUCOOQTDM-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"125055-53-0"	"DTXSID30154560"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-butyl-6-methyl-4-oxo-"	"EPA_DSSTox"	"CC1=CC=CC2=NC=C(C(=O)N12)C(=O)NCCCC"	"?"	"InChI=1S/C14H17N3O2/c1-3-4-8-15-13(18)11-9-16-12-7-5-6-10(2)17(12)14(11)19/h5-7,9H,3-4,8H2,1-2H3,(H,15,18)"	"ZPTKUQNZPPBLPH-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"125055-55-2"	"DTXSID50154562"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-4-oxo-N-pentyl-"	"EPA_DSSTox"	"CC1=CC=CC2=NC=C(C(=O)N12)C(=O)NCCCCC"	"?"	"InChI=1S/C15H19N3O2/c1-3-4-5-9-16-14(19)12-10-17-13-8-6-7-11(2)18(13)15(12)20/h6-8,10H,3-5,9H2,1-2H3,(H,16,19)"	"SRGIKNPVXCAQFR-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"125055-56-3"	"DTXSID10154563"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(2,2-dimethylpropyl)-6-methyl-4-oxo-"	"EPA_DSSTox"	"CC1=CC=CC2=NC=C(C(=O)N12)C(=O)NCC(C)(C)C"	"?"	"InChI=1S/C15H19N3O2/c1-10-6-5-7-12-16-8-11(14(20)18(10)12)13(19)17-9-15(2,3)4/h5-8H,9H2,1-4H3,(H,17,19)"	"IVAZQYHBABVRAE-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"125055-57-4"	"DTXSID70154564"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-hexyl-6-methyl-4-oxo-"	"EPA_DSSTox"	"CC1=CC=CC2=NC=C(C(=O)N12)C(=O)NCCCCCC"	"?"	"InChI=1S/C16H21N3O2/c1-3-4-5-6-10-17-15(20)13-11-18-14-9-7-8-12(2)19(14)16(13)21/h7-9,11H,3-6,10H2,1-2H3,(H,17,20)"	"WQSDPVQRXJGUTP-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"125055-59-6"	"DTXSID90154566"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-N-octyl-4-oxo-"	"EPA_DSSTox"	"CC1=CC=CC2=NC=C(C(=O)N12)C(=O)NCCCCCCCC"	"?"	"InChI=1S/C18H25N3O2/c1-3-4-5-6-7-8-12-19-17(22)15-13-20-16-11-9-10-14(2)21(16)18(15)23/h9-11,13H,3-8,12H2,1-2H3,(H,19,22)"	"GITXJJGLSZCFIR-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"125055-60-9"	"DTXSID50154567"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(1,1-dimethylpropyl)-6-methyl-4-oxo-"	"EPA_DSSTox"	"CC1=CC=CC2=NC=C(C(=O)N12)C(=O)NC(C)(C)CC"	"?"	"InChI=1S/C15H19N3O2/c1-5-15(3,4)17-13(19)11-9-16-12-8-6-7-10(2)18(12)14(11)20/h6-9H,5H2,1-4H3,(H,17,19)"	"AYONPVPWWQITHN-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"125055-61-0"	"DTXSID10154568"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-cyclopropyl-6-methyl-4-oxo-"	"EPA_DSSTox"	"CC1=CC=CC2=NC=C(C(=O)N21)C(=O)NC1CC1"	"?"	"InChI=1S/C13H13N3O2/c1-8-3-2-4-11-14-7-10(13(18)16(8)11)12(17)15-9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H,15,17)"	"VALITZCLZVJAMH-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"125055-63-2"	"DTXSID80154570"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-cyclohexyl-6-methyl-4-oxo-"	"EPA_DSSTox"	"CC1=CC=CC2=NC=C(C(=O)N21)C(=O)NC1CCCCC1"	"?"	"InChI=1S/C16H19N3O2/c1-11-6-5-9-14-17-10-13(16(21)19(11)14)15(20)18-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,18,20)"	"VOWAKWKKYNYQCV-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"125055-64-3"	"DTXSID40154571"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-cycloheptyl-6-methyl-4-oxo-"	"EPA_DSSTox"	"CC1=CC=CC2=NC=C(C(=O)N21)C(=O)NC1CCCCCC1"	"?"	"InChI=1S/C17H21N3O2/c1-12-7-6-10-15-18-11-14(17(22)20(12)15)16(21)19-13-8-4-2-3-5-9-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,19,21)"	"XIKVBHWOSOPFKR-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"125055-65-4"	"DTXSID00154572"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-4-oxo-N-phenyl-"	"EPA_DSSTox"	"CC1=CC=CC2=NC=C(C(=O)NC3C=CC=CC=3)C(=O)N21"	"?"	"InChI=1S/C16H13N3O2/c1-11-6-5-9-14-17-10-13(16(21)19(11)14)15(20)18-12-7-3-2-4-8-12/h2-10H,1H3,(H,18,20)"	"BECHPSJCRMKBSB-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"125055-67-6"	"DTXSID20154574"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(4-chlorophenyl)-6-methyl-4-oxo-"	"EPA_DSSTox"	"CC1=CC=CC2=NC=C(C(=O)NC3C=CC(Cl)=CC=3)C(=O)N21"	"?"	"InChI=1S/C16H12ClN3O2/c1-10-3-2-4-14-18-9-13(16(22)20(10)14)15(21)19-12-7-5-11(17)6-8-12/h2-9H,1H3,(H,19,21)"	"UWHIVRRFTURTDS-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"125055-68-7"	"DTXSID80154575"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 4-oxo-N-propyl-"	"EPA_DSSTox"	"CCCNC(=O)C1=CN=C2C=CC=CN2C1=O"	"?"	"InChI=1S/C12H13N3O2/c1-2-6-13-11(16)9-8-14-10-5-3-4-7-15(10)12(9)17/h3-5,7-8H,2,6H2,1H3,(H,13,16)"	"CWHZPLLXIYSITB-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"125055-69-8"	"DTXSID40154576"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 7-methyl-4-oxo-N-propyl-"	"EPA_DSSTox"	"CC1C=CC2=NC=C(C(=O)NCCC)C(=O)N2C=1"	"?"	"InChI=1S/C13H15N3O2/c1-3-6-14-12(17)10-7-15-11-5-4-9(2)8-16(11)13(10)18/h4-5,7-8H,3,6H2,1-2H3,(H,14,17)"	"NONZVWCWMXFDFQ-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"125055-71-2"	"DTXSID60154578"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 9-methyl-4-oxo-N-propyl-"	"EPA_DSSTox"	"CC1=CC=CN2C1=NC=C(C(=O)NCCC)C2=O"	"?"	"InChI=1S/C13H15N3O2/c1-3-6-14-12(17)10-8-15-11-9(2)5-4-7-16(11)13(10)18/h4-5,7-8H,3,6H2,1-2H3,(H,14,17)"	"RJQQVIKXETULNN-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"125055-72-3"	"DTXSID20154579"	"4H-Pyrido(1,2-a)pyrimidine-3-acetamide, 6-methyl-4-oxo-N-propyl-"	"EPA_DSSTox"	"CC1=CC=CC2=NC=C(CC(=O)NCCC)C(=O)N12"	"?"	"InChI=1S/C14H17N3O2/c1-3-7-15-13(18)8-11-9-16-12-6-4-5-10(2)17(12)14(11)19/h4-6,9H,3,7-8H2,1-2H3,(H,15,18)"	"ATHKFLJIBVNZJL-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"125055-73-4"	"DTXSID30154580"	"Alanine, 2-methyl-N-((6-methyl-4-oxo-4H-pyrido(1,2-a)pyrimidin-3-yl)carbonyl)-, ethyl ester"	"EPA_DSSTox"	"CC1=CC=CC2=NC=C(C(=O)N12)C(=O)NC(C)(C)C(=O)OCC"	"?"	"InChI=1S/C16H19N3O4/c1-5-23-15(22)16(3,4)18-13(20)11-9-17-12-8-6-7-10(2)19(12)14(11)21/h6-9H,5H2,1-4H3,(H,18,20)"	"DOKQYDPGETZTGK-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"125055-75-6"	"DTXSID50154582"	"Pyrrolidine, 1-((6-methyl-4-oxo-4H-pyrido(1,2-a)pyrimidin-3-yl)carbonyl)-"	"EPA_DSSTox"	"CC1=CC=CC2=NC=C(C(=O)N3CCCC3)C(=O)N21"	"?"	"InChI=1S/C14H15N3O2/c1-10-5-4-6-12-15-9-11(14(19)17(10)12)13(18)16-7-2-3-8-16/h4-6,9H,2-3,7-8H2,1H3"	"NRNDGOPSXXHRLY-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"125055-76-7"	"DTXSID10154583"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-4-oxo-N-propyl-, methanesulfonate (1:1)"	"EPA_DSSTox"	"CC1=CC=CC2=NC=C(C(=O)N12)C(=O)NCCC"	"S(O)(=O)(=O)C"	"InChI=1S/C13H15N3O2/c1-3-7-14-12(17)10-8-15-11-6-4-5-9(2)16(11)13(10)18/h4-6,8H,3,7H2,1-2H3,(H,14,17)"	"QXNVINMXZOJLEE-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"125055-77-8"	"DTXSID70154584"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-4-oxo-N-propyl-, monohydrochloride"	"EPA_DSSTox"	"CC1=CC=CC2=NC=C(C(=O)N12)C(=O)NCCC"	"Cl"	"InChI=1S/C13H15N3O2/c1-3-7-14-12(17)10-8-15-11-6-4-5-9(2)16(11)13(10)18/h4-6,8H,3,7H2,1-2H3,(H,14,17)"	"QXNVINMXZOJLEE-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"125055-79-0"	"DTXSID90154586"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-cyclopentyl-7-methyl-4-oxo-"	"EPA_DSSTox"	"CC1=CN2C(C=C1)=NC=C(C(=O)NC1CCCC1)C2=O"	"?"	"InChI=1S/C15H17N3O2/c1-10-6-7-13-16-8-12(15(20)18(13)9-10)14(19)17-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H,17,19)"	"YYHYGKWCVDARIX-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"125055-80-3"	"DTXSID50154587"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-cyclopentyl-8-methyl-4-oxo-"	"EPA_DSSTox"	"CC1=CC2=NC=C(C(=O)NC3CCCC3)C(=O)N2C=C1"	"?"	"InChI=1S/C15H17N3O2/c1-10-6-7-18-13(8-10)16-9-12(15(18)20)14(19)17-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H,17,19)"	"RMDBYIGTIPXPOD-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"125055-81-4"	"DTXSID10154588"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-cyclopentyl-9-methyl-4-oxo-"	"EPA_DSSTox"	"CC1=CC=CN2C1=NC=C(C(=O)NC1CCCC1)C2=O"	"?"	"InChI=1S/C15H17N3O2/c1-10-5-4-8-18-13(10)16-9-12(15(18)20)14(19)17-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,17,19)"	"FBGQNRJIPHQACJ-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"1253-28-7"	NA	NA	"Public_CrossChecked"	"CC12CCC3C4CCC(=O)C=C4CCC3C1CCC2(OC(=O)CCCCC)C(C)=O"	"?"	"InChI=1S/C26H38O4/c1-4-5-6-7-24(29)30-26(17(2)27)15-13-23-22-10-8-18-16-19(28)9-11-20(18)21(22)12-14-25(23,26)3/h16,20-23H,4-15H2,1-3H3"	"XURCMZMFZXXQDJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"125401-75-4"	"DTXSID0043977"	"Bispyribac"	"EPA_DSSTox"	"COC1C=C(N=C(N=1)OC1=CC=CC(OC2=NC(=CC(=N2)OC)OC)=C1C(O)=O)OC"	"?"	"InChI=1S/C19H18N4O8/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4/h5-9H,1-4H3,(H,24,25)"	"RYVIXQCRCQLFCM-UHFFFAOYSA-N"	FALSE	TRUE	2635	3	5
"125401-92-5"	"DTXSID7034383"	"Bispyribac-sodium"	"EPA_DSSTox"	"COC1C=C(N=C(N=1)OC1=CC=CC(OC2=NC(=CC(=N2)OC)OC)=C1C(O)=O)OC"	"[Na+]"	"InChI=1S/C19H18N4O8/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4/h5-9H,1-4H3,(H,24,25)"	"RYVIXQCRCQLFCM-UHFFFAOYSA-N"	FALSE	TRUE	2635	3	5
"125643-61-0"	NA	NA	"Public_CrossChecked"	"CCCCCCCCOC(=O)CCC1C=C(C(O)=C(C=1)C(C)(C)C)C(C)(C)C"	"?"	"InChI=1S/C25H42O3/c1-8-9-10-11-12-13-16-28-22(26)15-14-19-17-20(24(2,3)4)23(27)21(18-19)25(5,6)7/h17-18,27H,8-16H2,1-7H3"	"CFXCGWWYIDZIMU-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"126-06-7"	"DTXSID7029162"	"3-Bromo-1-chloro-5,5-dimethylhydantoin"	"EPA_DSSTox"	"CC1(C)C(=O)N(Br)C(=O)N1Cl"	"?"	"InChI=1S/C5H6BrClN2O2/c1-5(2)3(10)8(6)4(11)9(5)7/h1-2H3"	"PQRDTUFVDILINV-UHFFFAOYSA-N"	FALSE	FALSE	485	2	4
"126-07-8"	"DTXSID8020674"	"Griseofulvin"	"EPA_DSSTox"	"COC1=CC(=O)CC(C)C21OC1C(Cl)=C(C=C(OC)C=1C2=O)OC"	"?"	"InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3"	"DDUHZTYCFQRHIY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"126-11-4"	"DTXSID8027034"	"2-(Hydroxymethyl)-2-nitro-1,3-propanediol"	"EPA_DSSTox"	"[O-][N+](=O)C(CO)(CO)CO"	"?"	"InChI=1S/C4H9NO5/c6-1-4(2-7,3-8)5(9)10/h6-8H,1-3H2"	"OLQJQHSAWMFDJE-UHFFFAOYSA-N"	FALSE	FALSE	1900	3	4
"126-12-5"	"DTXSID50155034"	"Anileridine dihydrochloride"	"EPA_DSSTox"	"CCOC(=O)C1(CCN(CCC2C=CC(N)=CC=2)CC1)C1C=CC=CC=1"	"Cl.Cl"	"InChI=1S/C22H28N2O2/c1-2-26-21(25)22(19-6-4-3-5-7-19)13-16-24(17-14-22)15-12-18-8-10-20(23)11-9-18/h3-11H,2,12-17,23H2,1H3"	"LKYQLAWMNBFNJT-UHFFFAOYSA-N"	FALSE	FALSE	175	2	3
"126-13-6"	"DTXSID3027035"	"Sucrose, diacetate hexaisobutyrate"	"EPA_DSSTox"	"CC(=O)OCC1(OC2OC(COC(C)=O)C(OC(=O)C(C)C)C(OC(=O)C(C)C)C2OC(=O)C(C)C)OC(COC(=O)C(C)C)C(OC(=O)C(C)C)C1OC(=O)C(C)C"	"?"	"InChI=1S/C40H62O19/c1-18(2)33(43)50-16-27-29(54-35(45)20(5)6)32(57-38(48)23(11)12)40(58-27,17-51-25(14)42)59-39-31(56-37(47)22(9)10)30(55-36(46)21(7)8)28(53-34(44)19(3)4)26(52-39)15-49-24(13)41/h18-23,26-32,39H,15-17H2,1-14H3"	"UVGUPMLLGBCFEJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"126-14-7"	"DTXSID3042423"	"Sucrose octaacetate"	"EPA_DSSTox"	"CC(=O)OC1C(OC(C)=O)C(OC2(COC(C)=O)OC(COC(C)=O)C(OC(C)=O)C2OC(C)=O)OC(COC(C)=O)C1OC(C)=O"	"?"	"InChI=1S/C28H38O19/c1-12(29)37-9-20-22(40-15(4)32)24(42-17(6)34)25(43-18(7)35)27(45-20)47-28(11-39-14(3)31)26(44-19(8)36)23(41-16(5)33)21(46-28)10-38-13(2)30/h20-27H,9-11H2,1-8H3"	"ZIJKGAXBCRWEOL-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"126-15-8"	"DTXSID3041320"	"2,3:4,5-Bis(2-butylene)tetrahydro-2-furaldehyde"	"EPA_DSSTox"	"O=CC12CC=CCC1C1CC=CCC1O2"	"?"	"InChI=1S/C13H16O2/c14-9-13-8-4-3-6-11(13)10-5-1-2-7-12(10)15-13/h1-4,9-12H,5-8H2"	"XNYGOEGATLFFOX-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"126-22-7"	"DTXSID5041697"	"Butonate"	"EPA_DSSTox"	"CCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC"	"?"	"InChI=1S/C8H14Cl3O5P/c1-4-5-6(12)16-7(8(9,10)11)17(13,14-2)15-3/h7H,4-5H2,1-3H3"	"BKAQXYNWONVOAX-UHFFFAOYSA-N"	FALSE	FALSE	760	3	4
"126-27-2"	"DTXSID0025818"	"Oxethazaine"	"EPA_DSSTox"	"CC(C)(CC1C=CC=CC=1)N(C)C(=O)CN(CCO)CC(=O)N(C)C(C)(C)CC1C=CC=CC=1"	"?"	"InChI=1S/C28H41N3O3/c1-27(2,19-23-13-9-7-10-14-23)29(5)25(33)21-31(17-18-32)22-26(34)30(6)28(3,4)20-24-15-11-8-12-16-24/h7-16,32H,17-22H2,1-6H3"	"FTLDJPRFCGDUFH-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"126-33-0"	"DTXSID3027037"	"Sulfolane"	"EPA_DSSTox"	"O=S1(=O)CCCC1"	"?"	"InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2"	"HXJUTPCZVOIRIF-UHFFFAOYSA-N"	FALSE	FALSE	1973.5	3	4
"126-52-3"	"DTXSID7023013"	"Ethinamate"	"EPA_DSSTox"	"C#CC1(CCCCC1)OC(N)=O"	"?"	"InChI=1S/C9H13NO2/c1-2-9(12-8(10)11)6-4-3-5-7-9/h1H,3-7H2,(H2,10,11)"	"GXRZIMHKGDIBEW-UHFFFAOYSA-N"	FALSE	FALSE	331	2	4
"126-57-8"	"DTXSID8027038"	"Nonanoic acid, 2-ethyl-2-[[(1-oxononyl)oxy]methyl]-1,3-propanediyl ester"	"EPA_DSSTox"	"CCC(COC(=O)CCCCCCCC)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC"	"?"	"InChI=1S/C33H62O6/c1-5-9-12-15-18-21-24-30(34)37-27-33(8-4,28-38-31(35)25-22-19-16-13-10-6-2)29-39-32(36)26-23-20-17-14-11-7-3/h5-29H2,1-4H3"	"KDMAJIXYCNOVJB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"126-58-9"	"DTXSID3027039"	"Dipentaerythritol"	"EPA_DSSTox"	"OCC(COCC(CO)(CO)CO)(CO)CO"	"?"	"InChI=1S/C10H22O7/c11-1-9(2-12,3-13)7-17-8-10(4-14,5-15)6-16/h11-16H,1-8H2"	"TXBCBTDQIULDIA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"126-64-7"	"DTXSID2047191"	"Linalyl benzoate"	"EPA_DSSTox"	"CC(C)=CCCC(C)(C=C)OC(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C17H22O2/c1-5-17(4,13-9-10-14(2)3)19-16(18)15-11-7-6-8-12-15/h5-8,10-12H,1,9,13H2,2-4H3"	"BTJXBZZBBNNTOV-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"126-71-6"	"DTXSID8040698"	"Triisobutyl phosphate"	"EPA_DSSTox"	"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"	FALSE	TRUE	NA	4	5
"126-72-7"	"DTXSID5021413"	"Tris(2,3-dibromopropyl) phosphate"	"EPA_DSSTox"	"O=P(OCC(Br)CBr)(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"	FALSE	FALSE	810	3	4
"126-73-8"	"DTXSID3021986"	"Tributyl phosphate"	"EPA_DSSTox"	"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"	FALSE	FALSE	1395	3	4
"126-75-0"	"DTXSID9037535"	"Demeton-S"	"EPA_DSSTox"	"CCSCCSP(=O)(OCC)OCC"	"?"	"InChI=1S/C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3/h4-8H2,1-3H3"	"GRPRVIYRYGLIJU-UHFFFAOYSA-N"	TRUE	FALSE	1.5	1	1
"126-92-1"	"DTXSID1026033"	"Sodium ethasulfate"	"EPA_DSSTox"	"CCCCC(COS(O)(=O)=O)CC"	"[Na+]"	"InChI=1S/C8H18O4S/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H,9,10,11)"	"MHGOKSLTIUHUBF-UHFFFAOYSA-N"	FALSE	TRUE	2840	3	5
"126-93-2"	NA	NA	"Public_CrossChecked"	"CCC1(OC1CCC)C(N)=O"	"?"	"InChI=1S/C8H15NO2/c1-3-5-6-8(4-2,11-6)7(9)10/h6H,3-5H2,1-2H3,(H2,9,10)"	"WBLPIVIXQOFTPQ-UHFFFAOYSA-N"	FALSE	FALSE	1250	3	4
"126-97-6"	"DTXSID7059569"	"Acetic acid, mercapto-, compd. with 2-aminoethanol (1:1)"	"EPA_DSSTox"	"OC(=O)CS"	"NCCO"	"InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)"	"CWERGRDVMFNCDR-UHFFFAOYSA-N"	TRUE	FALSE	42.5	1	2
"126-98-7"	"DTXSID1024176"	"Methacrylonitrile"	"EPA_DSSTox"	"CC(=C)C#N"	"?"	"InChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3"	"GYCMBHHDWRMZGG-UHFFFAOYSA-N"	FALSE	FALSE	120	2	3
"126-99-8"	"DTXSID5020316"	"Chloroprene"	"EPA_DSSTox"	"C=CC(=C)Cl"	"?"	"InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2"	"YACLQRRMGMJLJV-UHFFFAOYSA-N"	FALSE	FALSE	450	2	4
"126055-15-0"	"DTXSID80155062"	"4(1H)-Pyridinone, 3-hydroxy-2-methyl-1-(2-propenyl)-"	"EPA_DSSTox"	"CC1=C(O)C(=O)C=CN1CC=C"	"?"	"InChI=1S/C9H11NO2/c1-3-5-10-6-4-8(11)9(12)7(10)2/h3-4,6,12H,1,5H2,2H3"	"FPIZVOQFIJHWIS-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"12609-84-6"	NA	NA	"Public_CrossChecked"	"CC(O)(C1NC(=O)C2CSC(=N2)C(CC)=NC(=O)C(NC(=O)C2=CSC(=N2)C23CCC(NC2C2=CSC(=N2)C(NC(=S)C2=CSC1=N2)C(C)OC(=O)C1C=C(C(C)O)C2C=CC(NC(C(C)C)C(=O)NC(C)C(=O)N=C(C)C(=O)NC(C)C(=O)N3)C(O)C=2N=1)C1=NC(=CS1)C(N)=O)C(C)O)C(C)O |c:15,t:80|"	"?"	"InChI=1S/C65H79N17O15S6/c1-12-33-58-76-39(20-100-58)54(92)81-48(64(11,96)30(10)85)61-77-41(22-102-61)57(98)80-44-29(9)97-62(95)36-17-32(27(7)83)31-13-14-34(46(86)45(31)71-36)70-42(23(2)3)55(93)69-25(5)51(89)67-24(4)50(88)68-26(6)52(90)82-65(63-78-40(21-103-63)53(91)79-43(28(8)84)56(94)73-33)16-15-35(59-75-38(19-99-59)49(66)87)72-47(65)37-18-101-60(44)74-37/h13-14,17-19,21-23,25-30,34-35,39,42-44,46-48,70,72,83-86,96H,12,15-16,20H2,1-11H3,(H2,66,87)(H,68,88)(H,69,93)(H,79,91)(H,80,98)(H,81,92)(H,82,90)/b67-24-,73-33-"	"YWVCUPAUHGYNOS-KRXIYYLPSA-N"	FALSE	TRUE	NA	3	5
"126145-23-1"	NA	NA	"Public_CrossChecked"	"COC1C=CC=CC=1OCC1SCCN1C(=O)CC(=O)OCC"	"?"	"InChI=1S/C16H21NO5S/c1-3-21-16(19)10-14(18)17-8-9-23-15(17)11-22-13-7-5-4-6-12(13)20-2/h4-7,15H,3,8-11H2,1-2H3"	"WSYVIAQNTFPTBI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1262985-23-8"	"DTXSID40679577"	"N-{3-[5-(4-Chlorophenyl)-1-(2,6-dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide"	"EPA_DSSTox"	"CCCS(=O)(=O)NC1C=CC(F)=C(C(=O)C2=CN(C3=NC=C(C=C23)C2C=CC(Cl)=CC=2)C(=O)C2C(Cl)=CC=CC=2Cl)C=1F"	"?"	"InChI=1S/C30H20Cl3F2N3O4S/c1-2-12-43(41,42)37-24-11-10-23(34)26(27(24)35)28(39)20-15-38(30(40)25-21(32)4-3-5-22(25)33)29-19(20)13-17(14-36-29)16-6-8-18(31)9-7-16/h3-11,13-15,37H,2,12H2,1H3"	"PPUPUTQAJAIAIF-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1263-89-4"	"DTXSID5047829"	"Paromomycin sulfate"	"EPA_DSSTox"	"NCC1OC(OC2C(CO)OC(OC3C(OC4OC(CO)C(O)C(O)C4N)C(N)CC(N)C3O)C2O)C(N)C(O)C1O"	"S(=O)(=O)(O)O"	"InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2"	"UOZODPSAJZTQNH-UHFFFAOYSA-N"	FALSE	TRUE	21620	4	5
"1264-72-8"	"DTXSID3045352"	"Colistin sulfate"	"EPA_DSSTox"	"CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCN)NC1=O)C(C)O"	"O=S(O)(O)=O"	"InChI=1S/C53H100N16O13/c1-9-30(6)12-10-11-13-41(72)60-33(14-20-54)48(77)69-43(32(8)71)53(82)65-36(17-23-57)45(74)64-38-19-25-59-52(81)42(31(7)70)68-49(78)37(18-24-58)62-44(73)34(15-21-55)63-50(79)39(26-28(2)3)67-51(80)40(27-29(4)5)66-46(75)35(16-22-56)61-47(38)76/h28-40,42-43,70-71H,9-27,54-58H2,1-8H3,(H,59,81)(H,60,72)(H,61,76)(H,62,73)(H,63,79)(H,64,74)(H,65,82)(H,66,75)(H,67,80)(H,68,78)(H,69,77)"	"XDJYMJULXQKGMM-UHFFFAOYSA-N"	FALSE	FALSE	121	2	3
"12650-69-0"	"DTXSID0046438"	"Mupirocin"	"EPA_DSSTox"	"CC(CC1OCC(CC2OC2C(C)C(C)O)C(O)C1O)=CC(=O)OCCCCCCCCC(O)=O"	"?"	"InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)"	"MINDHVHHQZYEEK-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"12663-46-6"	"DTXSID1020356"	"Cyclochlorotine"	"EPA_DSSTox"	"CCC1NC(=O)C2C(Cl)C(Cl)CN2C(=O)C(CO)NC(=O)CC(NC(=O)C(CO)NC1=O)C1C=CC=CC=1"	"?"	"InChI=1S/C24H31Cl2N5O7/c1-2-14-21(35)30-16(10-32)22(36)29-15(12-6-4-3-5-7-12)8-18(34)27-17(11-33)24(38)31-9-13(25)19(26)20(31)23(37)28-14/h3-7,13-17,19-20,32-33H,2,8-11H2,1H3,(H,27,34)(H,28,37)(H,29,36)(H,30,35)"	"PMBVHCCVEPYDSN-UHFFFAOYSA-N"	TRUE	FALSE	5	1	2
"1266664-66-7"	NA	NA	"Public_CrossChecked"	"CC1CCN(CCN1)C1=NC2C=C(Cl)C=CC=2O1"	"Cl"	"InChI=1S/C13H16ClN3O/c1-9-4-6-17(7-5-15-9)13-16-11-8-10(14)2-3-12(11)18-13/h2-3,8-9,15H,4-7H2,1H3"	"RADJSLVGESASMK-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"12672-29-6"	NA	NA	"Public_CrossChecked"	"ClC1=CC(Cl)=CC(=C1)C1=CC(Cl)=CC(Cl)=C1"	"?"	"InChI=1S/C12H6Cl4/c13-9-1-7(2-10(14)5-9)8-3-11(15)6-12(16)4-8/h1-6H"	"UTMWFJSRHLYRPY-UHFFFAOYSA-N"	FALSE	TRUE	11000	4	5
"12674-11-2"	NA	NA	"Public_CrossChecked"	"ClC1=CC(=CC(Cl)=C1)C1C=C(Cl)C=CC=1"	"?"	"InChI=1S/C12H7Cl3/c13-10-3-1-2-8(4-10)9-5-11(14)7-12(15)6-9/h1-7H"	"RIBGNAJQTOXRDK-UHFFFAOYSA-N"	FALSE	TRUE	2300	3	5
"126990-35-0"	"DTXSID80888929"	"Cyclopentane, 1,1'-(dimethoxysilylene)bis-"	"EPA_DSSTox"	"CO[Si](OC)(C1CCCC1)C1CCCC1"	"?"	"InChI=1S/C12H24O2Si/c1-13-15(14-2,11-7-3-4-8-11)12-9-5-6-10-12/h11-12H,3-10H2,1-2H3"	"JWCYDYZLEAQGJJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"127-00-4"	"DTXSID5020285"	"1-Chloro-2-propanol"	"EPA_DSSTox"	"CC(O)CCl"	"?"	"InChI=1S/C3H7ClO/c1-3(5)2-4/h3,5H,2H2,1H3"	"YYTSGNJTASLUOY-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"127-07-1"	"DTXSID6025438"	"Hydroxyurea"	"EPA_DSSTox"	"NC(=O)NO"	"?"	"InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)"	"VSNHCAURESNICA-UHFFFAOYSA-N"	FALSE	TRUE	5760	4	5
"127-09-3"	"DTXSID2027044"	"Sodium acetate"	"EPA_DSSTox"	"CC(O)=O"	"[Na+]"	"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)"	"QTBSBXVTEAMEQO-UHFFFAOYSA-N"	FALSE	FALSE	1943	3	4
"127-18-4"	"DTXSID2021319"	"Tetrachloroethylene"	"EPA_DSSTox"	"ClC(Cl)=C(Cl)Cl"	"?"	"InChI=1S/C2Cl4/c3-1(4)2(5)6"	"CYTYCFOTNPOANT-UHFFFAOYSA-N"	FALSE	TRUE	2629	3	5
"127-19-5"	"DTXSID5020499"	"N,N-Dimethylacetamide"	"EPA_DSSTox"	"CC(=O)N(C)C"	"?"	"InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3"	"FXHOOIRPVKKKFG-UHFFFAOYSA-N"	FALSE	TRUE	4300	3	5
"127-20-8"	"DTXSID5024001"	"Dalapon-sodium"	"EPA_DSSTox"	"CC(Cl)(Cl)C(O)=O"	"[Na+]"	"InChI=1S/C3H4Cl2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)"	"NDUPDOJHUQKPAG-UHFFFAOYSA-N"	FALSE	TRUE	3860	3	5
"127-25-3"	"DTXSID9048190"	"Methyl abietate"	"EPA_DSSTox"	"CC(C)C1CCC2C(C=1)=CCC1C(C)(CCCC21C)C(=O)OC"	"?"	"InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13-14,17-18H,6-7,9-12H2,1-5H3"	"OVXRPXGVKBHGQO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"127-39-9"	"DTXSID7029164"	"Sodium 1,4-diisobutyl sulfosuccinate"	"EPA_DSSTox"	"CC(C)COC(=O)C(CC(=O)OCC(C)C)S(O)(=O)=O"	"[Na+]"	"InChI=1S/C12H22O7S/c1-8(2)6-18-11(13)5-10(20(15,16)17)12(14)19-7-9(3)4/h8-10H,5-7H2,1-4H3,(H,15,16,17)"	"NNARPPSIYMCXMB-UHFFFAOYSA-N"	FALSE	TRUE	2772	3	5
"127-43-5"	"DTXSID6051643"	"1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one"	"EPA_DSSTox"	"CC1CCCC(C)(C)C=1C=CC(=O)CC"	"?"	"InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7,10H2,1-4H3"	"LMWNGLDCJDIIBR-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"127-48-0"	"DTXSID9021396"	"Trimethadione"	"EPA_DSSTox"	"CN1C(=O)OC(C)(C)C1=O"	"?"	"InChI=1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3"	"IRYJRGCIQBGHIV-UHFFFAOYSA-N"	FALSE	TRUE	2140	3	5
"127-52-6"	"DTXSID6041763"	"Chloramine B"	"EPA_DSSTox"	"O=S(=O)(NCl)C1C=CC=CC=1"	"[Na+]"	"InChI=1S/C6H6ClNO2S/c7-8-11(9,10)6-4-2-1-3-5-6/h1-5,8H"	"CHVZPRDGLWBEMJ-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"127-57-1"	"DTXSID6059570"	"Benzenesulfonamide, 4-amino-N-2-pyridinyl-, monosodium salt"	"EPA_DSSTox"	"NC1C=CC(=CC=1)S(=O)(=O)NC1C=CC=CN=1"	"[Na+]"	"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"	FALSE	TRUE	2994	3	5
"127-59-3"	"DTXSID3042186"	"N,N-Dibutyl-4-chlorobenzenesulfonamide"	"EPA_DSSTox"	"CCCCN(CCCC)S(=O)(=O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C14H22ClNO2S/c1-3-5-11-16(12-6-4-2)19(17,18)14-9-7-13(15)8-10-14/h7-10H,3-6,11-12H2,1-2H3"	"CLVOYFRAZKMSPF-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"127-65-1"	"DTXSID6040321"	"Chloramine-T"	"EPA_DSSTox"	"CC1=CC=C(C=C1)S(=O)(=O)NCl"	"[Na+]"	"InChI=1S/C7H8ClNO2S/c1-6-2-4-7(5-3-6)12(10,11)9-8/h2-5,9H,1H3"	"NXTVQNIVUKXOIL-UHFFFAOYSA-N"	FALSE	FALSE	935	3	4
"127-68-4"	"DTXSID2027048"	"Sodium 3-nitrobenzenesulfonate"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC(=CC=C1)S(O)(=O)=O"	"[Na+]"	"InChI=1S/C6H5NO5S/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,10,11,12)"	"ONMOULMPIIOVTQ-UHFFFAOYSA-N"	FALSE	TRUE	11000	4	5
"127-69-5"	"DTXSID6021292"	"Sulfisoxazole"	"EPA_DSSTox"	"CC1=C(NS(=O)(=O)C2C=CC(N)=CC=2)ON=C1C"	"?"	"InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3"	"NHUHCSRWZMLRLA-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"127-90-2"	NA	NA	"Public_CrossChecked"	"ClC(Cl)(Cl)C(Cl)COCC(Cl)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C6H6Cl8O/c7-3(5(9,10)11)1-15-2-4(8)6(12,13)14/h3-4H,1-2H2"	"LNJXZKBHJZAIKQ-UHFFFAOYSA-N"	FALSE	TRUE	3630	3	5
"127-91-3"	"DTXSID7027049"	"beta-Pinene"	"EPA_DSSTox"	"CC1(C)C2CC1CCC2=C"	"?"	"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3"	"WTARULDDTDQWMU-UHFFFAOYSA-N"	FALSE	TRUE	4700	3	5
"12712-28-6"	"DTXSID00155408"	"1,3-Propanediol, 2,2-bis(chloromethyl)-, sulfate"	"EPA_DSSTox"	"OCC(CCl)(CCl)CO"	"S(O)(O)(=O)=O"	"InChI=1S/C5H10Cl2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2"	"YFESJHPTNWYOCO-UHFFFAOYSA-N"	TRUE	FALSE	20	1	2
"127245-20-9"	NA	NA	"Public_CrossChecked"	"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C1CON(C)C1=O"	"?"	"InChI=1S/C19H27NO3/c1-18(2,3)14-9-12(8-13-11-23-20(7)17(13)22)10-15(16(14)21)19(4,5)6/h8-10,21H,11H2,1-7H3"	"OTOTVZIIINPDEE-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"127245-21-0"	NA	NA	"Public_CrossChecked"	"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C1CON(C)C1=O"	"?"	"InChI=1S/C19H27NO3/c1-18(2,3)14-9-12(8-13-11-23-20(7)17(13)22)10-15(16(14)21)19(4,5)6/h8-10,21H,11H2,1-7H3"	"OTOTVZIIINPDEE-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"127245-22-1"	NA	NA	"Public_CrossChecked"	"CC(C)(C)C1=CC(C=C2CCON(C)C2=O)=CC(=C1O)C(C)(C)C"	"?"	"InChI=1S/C20H29NO3/c1-19(2,3)15-11-13(12-16(17(15)22)20(4,5)6)10-14-8-9-24-21(7)18(14)23/h10-12,22H,8-9H2,1-7H3"	"BWRYNNCGEDOTRW-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"127277-53-6"	"DTXSID9034496"	"Prohexadione-calcium"	"EPA_DSSTox"	"CCC(O)=C1C(=O)CC(CC1=O)C(O)=O"	"[Ca+2]"	"InChI=1S/C10H12O5/c1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13/h5,11H,2-4H2,1H3,(H,14,15)"	"HLVQZEMFVYGIGH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"12750-79-7"	NA	NA	"Public_CrossChecked"	"CC1(O)OC(C2CCC(O2)C2CCC(O2)C2(C)OC3(OC(CC(OC)C3C)CC3OC(O)(C(C)C(OC4CCC(OC)C(C)O4)C3(C)OC)C(C)C(O)=O)C(C)C2OC)C(C)C(OC)C1C"	"?"	"InChI=1S/C49H84O17/c1-24-40(56-13)26(3)47(10,52)65-41(24)35-17-16-33(60-35)34-18-20-37(61-34)46(9)42(57-14)28(5)49(66-46)25(2)36(55-12)22-31(63-49)23-38-45(8,58-15)43(27(4)48(53,64-38)29(6)44(50)51)62-39-21-19-32(54-11)30(7)59-39/h24-43,52-53H,16-23H2,1-15H3,(H,50,51)"	"RHDSQRNKIIRGBB-UHFFFAOYSA-N"	TRUE	FALSE	7	1	2
"12771-68-5"	"DTXSID2034338"	"Ancymidol"	"EPA_DSSTox"	"COC1C=CC(=CC=1)C(O)(C1CC1)C1C=NC=NC=1"	"?"	"InChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3"	"HUTDUHSNJYTCAR-UHFFFAOYSA-N"	FALSE	TRUE	4500	3	5
"12789-03-6"	NA	NA	"Public_CrossChecked"	"ClC1(Cl)C2(Cl)C3CC(Cl)C(Cl)C3C1(Cl)C(Cl)=C2Cl"	"?"	"InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2"	"BIWJNBZANLAXMG-UHFFFAOYSA-N"	FALSE	FALSE	283	2	3
"127966-78-3"	"DTXSID10155757"	"Z 300"	"EPA_DSSTox"	"OCCSCC(=O)NCCCOC1=CC(CN2CCCCC2)=CC=C1"	"?"	"InChI=1S/C19H30N2O3S/c22-11-13-25-16-19(23)20-8-5-12-24-18-7-4-6-17(14-18)15-21-9-2-1-3-10-21/h4,6-7,14,22H,1-3,5,8-13,15-16H2,(H,20,23)"	"ZRVDLLKTYZXNAD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"128-08-5"	"DTXSID2038738"	"1-Bromopyrrolidine-2,5-dione"	"EPA_DSSTox"	"O=C1CCC(=O)N1Br"	"?"	"InChI=1S/C4H4BrNO2/c5-6-3(7)1-2-4(6)8/h1-2H2"	"PCLIMKBDDGJMGD-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"128-13-2"	"DTXSID6023731"	"Ursodiol"	"EPA_DSSTox"	"CC(CCC(O)=O)C1CCC2C3C(CCC21C)C1(C)CCC(O)CC1CC3O"	"?"	"InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)"	"RUDATBOHQWOJDD-UHFFFAOYSA-N"	FALSE	TRUE	4600	3	5
"128-37-0"	"DTXSID2020216"	"Butylated hydroxytoluene"	"EPA_DSSTox"	"CC1C=C(C(O)=C(C=1)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"	FALSE	FALSE	890	3	4
"128-44-9"	"DTXSID5021253"	"Sodium saccharin"	"EPA_DSSTox"	"O=C1NS(=O)(=O)C2C=CC=CC1=2"	"[Na+]"	"InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)"	"CVHZOJJKTDOEJC-UHFFFAOYSA-N"	FALSE	TRUE	8820	4	5
"128-51-8"	"DTXSID6051645"	"2-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-3-yl)ethyl acetate"	"EPA_DSSTox"	"CC(=O)OCCC1CC2CC(C=1)C2(C)C"	"?"	"InChI=1S/C13H20O2/c1-9(14)15-5-4-10-6-11-8-12(7-10)13(11,2)3/h6,11-12H,4-5,7-8H2,1-3H3"	"XUBVSPOPBDGGES-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"128-53-0"	"DTXSID1059573"	"N-Ethylmaleimide"	"EPA_DSSTox"	"CCN1C(=O)C=CC1=O"	"?"	"InChI=1S/C6H7NO2/c1-2-7-5(8)3-4-6(7)9/h3-4H,2H2,1H3"	"HDFGOPSGAURCEO-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"128-56-3"	"DTXSID50883320"	"1-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt (1:1)"	"EPA_DSSTox"	"OS(=O)(=O)C1C=CC=C2C=1C(=O)C1=CC=CC=C1C2=O"	"[Na+]"	"InChI=1S/C14H8O5S/c15-13-8-4-1-2-5-9(8)14(16)12-10(13)6-3-7-11(12)20(17,18)19/h1-7H,(H,17,18,19)"	"JAJIPIAHCFBEPI-UHFFFAOYSA-N"	FALSE	TRUE	20000	4	5
"128-62-1"	"DTXSID4023385"	"Noscapine"	"EPA_DSSTox"	"COC1C2C(=O)OC(C3C4C(OC)=C5OCOC5=CC=4CCN3C)C=2C=CC=1OC"	"?"	"InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3"	"AKNNEGZIBPJZJG-UHFFFAOYSA-N"	FALSE	FALSE	1520	3	4
"128-67-6"	"DTXSID20155768"	"1-Nitro-2-carboxyanthraquinone"	"EPA_DSSTox"	"[O-][N+](=O)C1C2=C(C=CC=1C(O)=O)C(=O)C1C=CC=CC=1C2=O"	"?"	"InChI=1S/C15H7NO6/c17-13-7-3-1-2-4-8(7)14(18)11-9(13)5-6-10(15(19)20)12(11)16(21)22/h1-6H,(H,19,20)"	"PMOCDYOEOUEPAN-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"128-69-8"	"DTXSID1059577"	"Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone"	"EPA_DSSTox"	"O=C1OC(=O)C2=CC=C3C4=C2C1=CC=C4C1C=CC2=C4C=1C3=CC=C4C(=O)OC2=O"	"?"	"InChI=1S/C24H8O6/c25-21-13-5-1-9-10-2-6-15-20-16(24(28)30-23(15)27)8-4-12(18(10)20)11-3-7-14(22(26)29-21)19(13)17(9)11/h1-8H"	"CLYVDMAATCIVBF-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"128-79-0"	"DTXSID1059579"	"Benzamide, N,N'-[iminobis(9,10-dihydro-9,10-dioxo-4,1-anthracenediyl)]bis-"	"EPA_DSSTox"	"O=C(NC1C=CC(NC2C=CC(NC(=O)C3C=CC=CC=3)=C3C=2C(=O)C2=CC=CC=C2C3=O)=C2C=1C(=O)C1=CC=CC=C1C2=O)C1C=CC=CC=1"	"?"	"InChI=1S/C42H25N3O6/c46-37-25-15-7-9-17-27(25)39(48)35-31(44-41(50)23-11-3-1-4-12-23)21-19-29(33(35)37)43-30-20-22-32(45-42(51)24-13-5-2-6-14-24)36-34(30)38(47)26-16-8-10-18-28(26)40(36)49/h1-22,43H,(H,44,50)(H,45,51)"	"OZMARZSNLQTLII-UHFFFAOYSA-N"	FALSE	TRUE	19300	4	5
"128-80-3"	"DTXSID9044376"	"D & C Green No. 6"	"EPA_DSSTox"	"CC1C=CC(=CC=1)NC1=CC=C(NC2C=CC(C)=CC=2)C2=C1C(=O)C1C=CC=CC=1C2=O"	"?"	"InChI=1S/C28H22N2O2/c1-17-7-11-19(12-8-17)29-23-15-16-24(30-20-13-9-18(2)10-14-20)26-25(23)27(31)21-5-3-4-6-22(21)28(26)32/h3-16,29-30H,1-2H3"	"TVRGPOFMYCMNRB-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"128-95-0"	"DTXSID2041252"	"1,4-Diaminoanthraquinone"	"EPA_DSSTox"	"NC1=CC=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O"	"?"	"InChI=1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2"	"FBMQNRKSAWNXBT-UHFFFAOYSA-N"	FALSE	TRUE	5790	4	5
"128-97-2"	"DTXSID4059592"	"1,4,5,8-Naphthalenetetracarboxylic acid"	"EPA_DSSTox"	"OC(=O)C1=CC=C(C2C1=C(C=CC=2C(O)=O)C(O)=O)C(O)=O"	"?"	"InChI=1S/C14H8O8/c15-11(16)5-1-2-6(12(17)18)10-8(14(21)22)4-3-7(9(5)10)13(19)20/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22)"	"OLAPPGSPBNVTRF-UHFFFAOYSA-N"	FALSE	TRUE	7500	4	5
"128143-10-2"	"DTXSID80155825"	"1-Piperazinecarboximidamide, N-(3-hydroxypropyl)-4-(2-methoxyphenyl)-N'-phenyl-, dihydrochloride"	"EPA_DSSTox"	"COC1C=CC=CC=1N1CCN(CC1)/C(/NC1C=CC=CC=1)=N\CCCO"	"Cl.Cl"	"InChI=1S/C21H28N4O2/c1-27-20-11-6-5-10-19(20)24-13-15-25(16-14-24)21(22-12-7-17-26)23-18-8-3-2-4-9-18/h2-6,8-11,26H,7,12-17H2,1H3,(H,22,23)"	"GHNNEAAMIODVAI-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"128148-93-6"	"DTXSID40155826"	"2-Pyrrolidinone, 1-(3,4-dihydro-3-hydroxy-2,2-dimethyl-6-(phenylsulfonyl)-2H-1-benzopyran-4-yl)-, trans-"	"EPA_DSSTox"	"CC1(C)OC2C=CC(=CC=2C(C1O)N1CCCC1=O)S(=O)(=O)C1=CC=CC=C1"	"?"	"InChI=1S/C21H23NO5S/c1-21(2)20(24)19(22-12-6-9-18(22)23)16-13-15(10-11-17(16)27-21)28(25,26)14-7-4-3-5-8-14/h3-5,7-8,10-11,13,19-20,24H,6,9,12H2,1-2H3"	"LKAQWOWWTKFLNX-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"128298-28-2"	"DTXSID6048250"	"Remacemide"	"EPA_DSSTox"	"CC(CC1C=CC=CC=1)(NC(=O)CN)C1C=CC=CC=1"	"?"	"InChI=1S/C17H20N2O/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12-13,18H2,1H3,(H,19,20)"	"YSGASDXSLKIKOD-UHFFFAOYSA-N"	FALSE	FALSE	983	3	4
"128446-33-3"	"DTXSID6036912"	"Hydroxypropyl-alpha-cyclodextrin"	"EPA_DSSTox"	"CC(O)COC1C2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(OC7OC(CO)C(O2)C(O)C7O)C(O)C6OCC(C)O)C(O)C5O)C(OCC(C)O)C4O)C(OCC(C)O)C3O)C1O"	"?"	"InChI=1S/C48H84O34/c1-15(55)11-67-39-31(65)45-73-24(10-54)38(39)82-46-32(66)40(68-12-16(2)56)37(23(9-53)74-46)81-44-28(62)26(60)34(20(6-50)72-44)80-47-41(69-13-17(3)57)29(63)35(21(7-51)75-47)77-43-27(61)25(59)33(19(5-49)71-43)79-48-42(70-14-18(4)58)30(64)36(78-45)22(8-52)76-48/h15-66H,5-14H2,1-4H3"	"KKOXDVGLYSLBSW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"128606-48-4"	"DTXSID50858816"	"Methyl 3-[(diethoxyphosphorothioyl)oxy]but-2-enoate"	"EPA_DSSTox"	"CC(=CC(=O)OC)OP(=S)(OCC)OCC"	"?"	"InChI=1S/C9H17O5PS/c1-5-12-15(16,13-6-2)14-8(3)7-9(10)11-4/h7H,5-6H2,1-4H3"	"IPDDIRXDRFQIQW-UHFFFAOYSA-N"	TRUE	FALSE	0.14	1	1
"129-00-0"	"DTXSID3024289"	"Pyrene"	"EPA_DSSTox"	"C1=CC2=CC=CC3=CC=C4C=CC=C1C4=C32"	"?"	"InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H"	"BBEAQIROQSPTKN-UHFFFAOYSA-N"	FALSE	TRUE	2700	3	5
"129-20-4"	"DTXSID1045291"	"Oxyphenbutazone"	"EPA_DSSTox"	"CCCCC1C(=O)N(C2C=CC=CC=2)N(C2C=CC(O)=CC=2)C1=O"	"?"	"InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3"	"HFHZKZSRXITVMK-UHFFFAOYSA-N"	FALSE	FALSE	329	2	4
"129-49-7"	NA	NA	"Public_CrossChecked"	"CCC(CO)NC(=O)C1CN(C)C2CC3=CN(C)C4C=CC=C(C2=C1)C3=4"	"C(=C/C(=O)O)/C(=O)O"	"InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)"	"KPJZHOPZRAFDTN-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"129-79-3"	"DTXSID1026245"	"2,4,7-Trinitrofluoren-9-one"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC(=C2C(=C1)C(=O)C1C=C(C=CC2=1)[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C13H5N3O7/c17-13-9-3-6(14(18)19)1-2-8(9)12-10(13)4-7(15(20)21)5-11(12)16(22)23/h1-5H"	"VHQGURIJMFPBKS-UHFFFAOYSA-N"	FALSE	TRUE	9910	4	5
"129273-38-7"	"DTXSID9046449"	"Perospirone hydrochloride"	"EPA_DSSTox"	"O=C1C2CCCCC2C(=O)N1CCCCN1CCN(CC1)C1=NSC2=CC=CC=C21"	"Cl"	"InChI=1S/C23H30N4O2S/c28-22-17-7-1-2-8-18(17)23(29)27(22)12-6-5-11-25-13-15-26(16-14-25)21-19-9-3-4-10-20(19)30-24-21/h3-4,9-10,17-18H,1-2,5-8,11-16H2"	"FBVFZWUMDDXLLG-UHFFFAOYSA-N"	FALSE	FALSE	870	3	4
"129423-54-7"	"DTXSID4051293"	"C.I. Pigment 191"	"EPA_DSSTox"	"CC1=NN(C2C=C(C=CC=2)S(O)(=O)=O)C(=O)C1N=NC1=CC(Cl)=C(C)C=C1S(O)(=O)=O"	"[Ca+2]"	"InChI=1S/C17H15ClN4O7S2/c1-9-6-15(31(27,28)29)14(8-13(9)18)19-20-16-10(2)21-22(17(16)23)11-4-3-5-12(7-11)30(24,25)26/h3-8,16H,1-2H3,(H,24,25,26)(H,27,28,29)"	"FLNFGIKCCOPBMZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"129630-19-9"	"DTXSID8034871"	"Pyraflufen-ethyl"	"EPA_DSSTox"	"CCOC(=O)COC1C=C(C2=NN(C)C(OC(F)F)=C2Cl)C(F)=CC=1Cl"	"?"	"InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3"	"APTZNLHMIGJTEW-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"129909-90-6"	"DTXSID3034329"	"Amicarbazone"	"EPA_DSSTox"	"CC(C)C1=NN(C(=O)N1N)C(=O)NC(C)(C)C"	"?"	"InChI=1S/C10H19N5O2/c1-6(2)7-13-15(9(17)14(7)11)8(16)12-10(3,4)5/h6H,11H2,1-5H3,(H,12,16)"	"ORFPWVRKFLOQHK-UHFFFAOYSA-N"	FALSE	FALSE	1015	3	4
"129927-33-9"	NA	NA	"Public_CrossChecked"	"CC(C)(C#CCN(CC)CC)OC(=O)C(O)(C1CCCCC1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C24H35NO3/c1-5-25(6-2)19-13-18-23(3,4)28-22(26)24(27,20-14-9-7-10-15-20)21-16-11-8-12-17-21/h7,9-10,14-15,21,27H,5-6,8,11-12,16-17,19H2,1-4H3"	"DMEPDNFRHUGNPT-UHFFFAOYSA-N"	FALSE	FALSE	735	3	4
"130-01-8"	NA	NA	"Public_CrossChecked"	"CC1CC(=CC)C(=O)OC2CCN3CC=C(COC(=O)C1(C)O)C32"	"?"	"InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3"	"HKODIGSRFALUTA-UHFFFAOYSA-N"	FALSE	FALSE	85	2	3
"130-17-6"	"DTXSID0024501"	"2-(4-Aminophenyl)-6-methylbenzothiazole sulfonic acid"	"EPA_DSSTox"	"CC1C=CC2N=C(SC=2C=1S(O)(=O)=O)C1C=CC(N)=CC=1"	"?"	"InChI=1S/C14H12N2O3S2/c1-8-2-7-11-12(13(8)21(17,18)19)20-14(16-11)9-3-5-10(15)6-4-9/h2-7H,15H2,1H3,(H,17,18,19)"	"KGZUHYIHYBDNLC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"130-20-1"	"DTXSID9044532"	"D&C Blue No. 9"	"EPA_DSSTox"	"O=C1C2C3NC4=C(NC=3C(Cl)=CC=2C(=O)C2C=CC=CC1=2)C1=C(C=C4Cl)C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C28H12Cl2N2O4/c29-17-9-15-19(27(35)13-7-3-1-5-11(13)25(15)33)23-21(17)32-24-20-16(10-18(30)22(24)31-23)26(34)12-6-2-4-8-14(12)28(20)36/h1-10,31-32H"	"UGCDBQWJXSAYIL-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"130-61-0"	"DTXSID9049401"	"Thioridazine hydrochloride"	"EPA_DSSTox"	"CN1CCCCC1CCN1C2C=C(C=CC=2SC2C=CC=CC1=2)SC"	"Cl"	"InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3"	"KLBQZWRITKRQQV-UHFFFAOYSA-N"	FALSE	FALSE	995	3	4
"130-89-2"	"DTXSID7044213"	"Quinine hydrochloride"	"EPA_DSSTox"	"COC1=CC=C2N=CC=C(C(O)C3CC4CCN3CC4C=C)C2=C1"	"Cl"	"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3"	"LOUPRKONTZGTKE-UHFFFAOYSA-N"	FALSE	FALSE	620	3	4
"13007-85-7"	NA	NA	"Public_CrossChecked"	"OCC(O)C(O)C(O)C(O)C(O)C(O)=O"	"[Na+]"	"InChI=1S/C7H14O8/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15/h2-6,8-13H,1H2,(H,14,15)"	"KWMLJOLKUYYJFJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"13010-47-4"	"DTXSID2023222"	"Lomustine"	"EPA_DSSTox"	"O=NN(CCCl)C(=O)NC1CCCCC1"	"?"	"InChI=1S/C9H16ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)"	"GQYIWUVLTXOXAJ-UHFFFAOYSA-N"	FALSE	FALSE	70	2	3
"13014-18-1"	"DTXSID3025839"	"2,4-Dichloro-1-(trichloromethyl)benzene"	"EPA_DSSTox"	"ClC1=CC(Cl)=C(C=C1)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C7H3Cl5/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H"	"KZSNBJMYJWDVTK-UHFFFAOYSA-N"	FALSE	TRUE	3160	3	5
"13014-24-9"	"DTXSID2025840"	"1,2-Dichloro-4-(trichloromethyl)benzene"	"EPA_DSSTox"	"ClC1=CC(=CC=C1Cl)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C7H3Cl5/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H"	"ATYLRBXENHNROH-UHFFFAOYSA-N"	FALSE	FALSE	1424	3	4
"130198-05-9"	NA	NA	"Public_CrossChecked"	"COC1C=CC(=CC=1)C(CN)C1(O)CCCCC1"	"Cl"	"InChI=1S/C15H23NO2/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15/h5-8,14,17H,2-4,9-11,16H2,1H3"	"SUQHIQRIIBKNOR-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"13025-69-9"	NA	NA	"Public_CrossChecked"	"C[N+](C)(N)CCCl"	"[Cl-]"	"InChI=1S/C4H12ClN2/c1-7(2,6)4-3-5/h3-4,6H2,1-2H3/q+1"	"FXYGVVMIHVKCMW-UHFFFAOYSA-N"	FALSE	TRUE	3400	3	5
"13031-41-9"	"DTXSID8027741"	"Benzonitrile, 4-(acetyloxy)-"	"EPA_DSSTox"	"CC(=O)OC1C=CC(=CC=1)C#N"	"?"	"InChI=1S/C9H7NO2/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-5H,1H3"	"CJGXWABHYYJNJH-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"130365-35-4"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCCCCCCCNP1(=S)OCC2C=C(C=CC=2O1)[N+]([O-])=O"	"?"	"InChI=1S/C22H37N2O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-29(30)27-19-20-18-21(24(25)26)15-16-22(20)28-29/h15-16,18H,2-14,17,19H2,1H3,(H,23,30)"	"FGYRTSTYZUABEV-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"130365-37-6"	NA	NA	"Public_CrossChecked"	"CNP1(=S)OCC2C=C(C=CC=2O1)[N+]([O-])=O"	"?"	"InChI=1S/C8H9N2O4PS/c1-9-15(16)13-5-6-4-7(10(11)12)2-3-8(6)14-15/h2-4H,5H2,1H3,(H,9,16)"	"RFCZOEAGRJVOQW-UHFFFAOYSA-N"	FALSE	FALSE	125	2	3
"13042-02-9"	"DTXSID2065337"	"2-Hexenedinitrile"	"EPA_DSSTox"	"N#CCCC=CC#N"	"?"	"InChI=1S/C6H6N2/c7-5-3-1-2-4-6-8/h1,3H,2,4H2"	"ZQOHAQBXINVHHC-UHFFFAOYSA-N"	FALSE	FALSE	380	2	4
"13045-62-0"	NA	NA	"Public_CrossChecked"	"O=C(NNCC1C=CC=CC=1)C1C=CC=CN=1"	"?"	"InChI=1S/C13H13N3O/c17-13(12-8-4-5-9-14-12)16-15-10-11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)"	"MAUBFEHMBSQXMM-UHFFFAOYSA-N"	FALSE	FALSE	240	2	3
"13048-33-4"	"DTXSID9025401"	"1,6-Hexanediol diacrylate"	"EPA_DSSTox"	"C=CC(=O)OCCCCCCOC(=O)C=C"	"?"	"InChI=1S/C12H18O4/c1-3-11(13)15-9-7-5-6-8-10-16-12(14)4-2/h3-4H,1-2,5-10H2"	"FIHBHSQYSYVZQE-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"13051-49-5"	NA	NA	"Public_CrossChecked"	"CC(=O)C(Cl)CCOC(C)=O"	"?"	"InChI=1S/C7H11ClO3/c1-5(9)7(8)3-4-11-6(2)10/h7H,3-4H2,1-2H3"	"LQKQGYIKTRJVJF-UHFFFAOYSA-N"	FALSE	TRUE	2049	3	5
"130525-77-8"	"DTXSID6073869"	"Phosphoric acid, dibutyl 2-hydroxyethyl ester"	"EPA_DSSTox"	"CCCCOP(=O)(OCCO)OCCCC"	"?"	"InChI=1S/C10H23O5P/c1-3-5-8-13-16(12,15-10-7-11)14-9-6-4-2/h11H,3-10H2,1-2H3"	"IHYIUHPLGDTUKJ-UHFFFAOYSA-N"	FALSE	FALSE	915	3	4
"13055-76-0"	"DTXSID30156620"	"5H-Dibenzo(a,d)cyclohepta-1,4-diene, 5-(2-methylaminoethyloxyimino)-, hydrochloride"	"EPA_DSSTox"	"CNCCON=C1C2C=CC=CC=2CCC2C=CC=CC=21"	"Cl"	"InChI=1S/C18H20N2O/c1-19-12-13-21-20-18-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18/h2-9,19H,10-13H2,1H3"	"KULDNRCDSCKZMH-UHFFFAOYSA-N"	FALSE	FALSE	860	3	4
"13056-98-9"	NA	NA	"Public_CrossChecked"	"CCN(CC)N=NC1C=CC=CC=1"	"?"	"InChI=1S/C10H15N3/c1-3-13(4-2)12-11-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3"	"JHPQXSWFRNIFCC-UHFFFAOYSA-N"	FALSE	FALSE	520	3	4
"13061-80-8"	NA	NA	"Public_CrossChecked"	"CC=CC(=O)C#C"	"?"	"InChI=1S/C6H6O/c1-3-5-6(7)4-2/h2-3,5H,1H3"	"UCQNRUHGBZEFQY-UHFFFAOYSA-N"	FALSE	FALSE	71	2	3
"13063-43-9"	"DTXSID8073396"	"Propanedinitrile, dichloro-"	"EPA_DSSTox"	"N#CC(Cl)(Cl)C#N"	"?"	"InChI=1S/C3Cl2N2/c4-3(5,1-6)2-7"	"NCWGPYPDPWOJKC-UHFFFAOYSA-N"	FALSE	FALSE	130	2	3
"13067-19-1"	"DTXSID70156669"	"Acetamide, N-1,3-benzodioxol-5-yl-"	"EPA_DSSTox"	"CC(=O)NC1=CC2OCOC=2C=C1"	"?"	"InChI=1S/C9H9NO3/c1-6(11)10-7-2-3-8-9(4-7)13-5-12-8/h2-4H,5H2,1H3,(H,10,11)"	"CGLCDOZYDURWIG-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"13067-93-1"	"DTXSID5041805"	"Cyanofenphos"	"EPA_DSSTox"	"CCOP(=S)(OC1C=CC(=CC=1)C#N)C1C=CC=CC=1"	"?"	"InChI=1S/C15H14NO2PS/c1-2-17-19(20,15-6-4-3-5-7-15)18-14-10-8-13(12-16)9-11-14/h3-11H,2H2,1H3"	"LRNJHZNPJSPMGK-UHFFFAOYSA-N"	TRUE	FALSE	28.5	1	2
"130693-82-2"	"DTXSID1045530"	"Dorzolamide hydrochloride"	"EPA_DSSTox"	"CC1CC(NCC)C2C=C(SC=2S1(=O)=O)S(N)(=O)=O"	"Cl"	"InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)"	"IAVUPMFITXYVAF-UHFFFAOYSA-N"	FALSE	FALSE	1927	3	4
"13071-27-7"	"DTXSID00156692"	"DA 1686"	"EPA_DSSTox"	"C(CN1CCOCC1)C(CCN1CCOCC1)C1=CC=CC2C=CC=CC=21"	"?"	"InChI=1S/C23H32N2O2/c1-2-6-22-20(4-1)5-3-7-23(22)21(8-10-24-12-16-26-17-13-24)9-11-25-14-18-27-19-15-25/h1-7,21H,8-19H2"	"AVBHUVFGLRWOSS-UHFFFAOYSA-N"	FALSE	FALSE	708	3	4
"13074-65-2"	"DTXSID90864355"	"2-Hexylcyclopentanone"	"EPA_DSSTox"	"CCCCCCC1CCCC1=O"	"?"	"InChI=1S/C11H20O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h10H,2-9H2,1H3"	"JTHVYOIHZNYRCC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"13076-17-0"	"DTXSID10873989"	"D,D-Dilactide"	"EPA_DSSTox"	"CC1OC(=O)C(C)OC1=O"	"?"	"InChI=1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3"	"JJTUDXZGHPGLLC-UHFFFAOYSA-N"	FALSE	TRUE	3543	3	5
"130796-74-6"	"DTXSID90156742"	"Adenosine, N-(2-hydroxy-3-(1-naphthalenyloxy)propyl)-, (S)-"	"EPA_DSSTox"	"OCC1OC(C(O)C1O)N1C=NC2C(NCC(O)COC3=CC=CC4C=CC=CC=43)=NC=NC1=2"	"?"	"InChI=1S/C23H25N5O6/c29-9-17-19(31)20(32)23(34-17)28-12-27-18-21(25-11-26-22(18)28)24-8-14(30)10-33-16-7-3-5-13-4-1-2-6-15(13)16/h1-7,11-12,14,17,19-20,23,29-32H,8-10H2,(H,24,25,26)"	"DIWZLEHFHZUKRM-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"13080-06-3"	NA	NA	"Public_CrossChecked"	"CCCCC(CC)(C(=O)OCCN(CC)CC)C(=O)OCC"	"?"	"InChI=1S/C17H33NO4/c1-6-11-12-17(7-2,15(19)21-10-5)16(20)22-14-13-18(8-3)9-4/h6-14H2,1-5H3"	"CQXNKORKKPMCPE-UHFFFAOYSA-N"	FALSE	FALSE	638	3	4
"13080-86-9"	"DTXSID5051650"	"4,4'-(Isopropylidenebis(4,1-phenyleneoxy))dianiline"	"EPA_DSSTox"	"CC(C)(C1C=CC(=CC=1)OC1C=CC(N)=CC=1)C1C=CC(=CC=1)OC1C=CC(N)=CC=1"	"?"	"InChI=1S/C27H26N2O2/c1-27(2,19-3-11-23(12-4-19)30-25-15-7-21(28)8-16-25)20-5-13-24(14-6-20)31-26-17-9-22(29)10-18-26/h3-18H,28-29H2,1-2H3"	"KMKWGXGSGPYISJ-UHFFFAOYSA-N"	FALSE	FALSE	308	2	4
"13080-89-2"	"DTXSID1065344"	"Benzenamine, 4,4'-[sulfonylbis(4,1-phenyleneoxy)]bis-"	"EPA_DSSTox"	"NC1C=CC(=CC=1)OC1C=CC(=CC=1)S(=O)(=O)C1C=CC(=CC=1)OC1C=CC(N)=CC=1"	"?"	"InChI=1S/C24H20N2O4S/c25-17-1-5-19(6-2-17)29-21-9-13-23(14-10-21)31(27,28)24-15-11-22(12-16-24)30-20-7-3-18(26)4-8-20/h1-16H,25-26H2"	"UTDAGHZGKXPRQI-UHFFFAOYSA-N"	FALSE	FALSE	220	2	3
"131-11-3"	"DTXSID3022455"	"Dimethyl phthalate"	"EPA_DSSTox"	"COC(=O)C1C=CC=CC=1C(=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"	FALSE	TRUE	2860	3	5
"131-17-9"	"DTXSID7020392"	"Diallyl phthalate"	"EPA_DSSTox"	"C=CCOC(=O)C1C=CC=CC=1C(=O)OCC=C"	"?"	"InChI=1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2"	"QUDWYFHPNIMBFC-UHFFFAOYSA-N"	FALSE	FALSE	656	3	4
"131-27-1"	"DTXSID5059616"	"1,5-Naphthalenedisulfonic acid, 3-amino-"	"EPA_DSSTox"	"NC1C=C(C2=CC=CC(=C2C=1)S(O)(=O)=O)S(O)(=O)=O"	"?"	"InChI=1S/C10H9NO6S2/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)"	"MTJGVAJYTOXFJH-UHFFFAOYSA-N"	FALSE	TRUE	11400	4	5
"131-56-6"	"DTXSID8022406"	"2,4-Dihydroxybenzophenone"	"EPA_DSSTox"	"OC1C=C(O)C=CC=1C(=O)C1C=CC=CC=1"	"?"	"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"	FALSE	TRUE	8600	4	5
"131-57-7"	"DTXSID3022405"	"2-Hydroxy-4-methoxybenzophenone"	"EPA_DSSTox"	"COC1=CC(O)=C(C=C1)C(=O)C1C=CC=CC=1"	"?"	"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"	FALSE	TRUE	7400	4	5
"131-79-3"	"DTXSID3074498"	"C.I. Solvent Yellow 6"	"EPA_DSSTox"	"CC1C=CC=CC=1N=NC1C(N)=CC=C2C=CC=CC2=1"	"?"	"InChI=1S/C17H15N3/c1-12-6-2-5-9-16(12)19-20-17-14-8-4-3-7-13(14)10-11-15(17)18/h2-11H,18H2,1H3"	"BWLVSYUUKOQICP-UHFFFAOYSA-N"	FALSE	FALSE	120	2	3
"131-89-5"	"DTXSID4024064"	"Dinex"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC(=C(O)C(=C1)C1CCCCC1)[N+]([O-])=O"	"?"	"InChI=1S/C12H14N2O5/c15-12-10(8-4-2-1-3-5-8)6-9(13(16)17)7-11(12)14(18)19/h6-8,15H,1-5H2"	"QJYHUJAGJUHXJN-UHFFFAOYSA-N"	FALSE	FALSE	65	2	3
"131-92-0"	"DTXSID2026282"	"C.I. Vat brown 3"	"EPA_DSSTox"	"O=C(NC1=CC2=C(NC3C4=C(C=CC2=3)C(=O)C2C(=CC=CC=2C4=O)NC(=O)C2C=CC=CC=2)C2=C1C(=O)C1C=CC=CC=1C2=O)C1C=CC=CC=1"	"?"	"InChI=1S/C42H23N3O6/c46-37-24-14-7-8-15-25(24)38(47)34-33(37)30(44-42(51)22-12-5-2-6-13-22)20-28-23-18-19-27-32(35(23)45-36(28)34)40(49)26-16-9-17-29(31(26)39(27)48)43-41(50)21-10-3-1-4-11-21/h1-20,45H,(H,43,50)(H,44,51)"	"AAKMSGQPNUGLAZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"131-99-7"	"DTXSID4044294"	"Inosinic acid"	"EPA_DSSTox"	"OP(O)(=O)OCC1CC(C(O)C1O)N1C=NC2=C1N=CNC2=O"	"?"	"InChI=1S/C11H15N4O7P/c16-8-5(2-22-23(19,20)21)1-6(9(8)17)15-4-14-7-10(15)12-3-13-11(7)18/h3-6,8-9,16-17H,1-2H2,(H,12,13,18)(H2,19,20,21)"	"JAVFUCJXWJDPGZ-UHFFFAOYSA-N"	FALSE	TRUE	16000	4	5
"13104-21-7"	"DTXSID3074494"	"Phosphoric acid, 2-bromo-1-(2,4-dichlorophenyl)ethenyl dimethyl ester"	"EPA_DSSTox"	"COP(=O)(OC(=CBr)C1C=CC(Cl)=CC=1Cl)OC"	"?"	"InChI=1S/C10H10BrCl2O4P/c1-15-18(14,16-2)17-10(6-11)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3"	"LOOAGTDYKNUDBZ-UHFFFAOYSA-N"	FALSE	FALSE	225	2	3
"13104-29-5"	NA	NA	"Public_CrossChecked"	"COP(=S)(OCC)SCN1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C12H14NO4PS2/c1-3-17-18(19,16-2)20-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,3,8H2,1-2H3"	"KSJKSFPLERNFRY-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"13115-40-7"	NA	NA	"Public_CrossChecked"	"CC(CN1C2=CC(=CC=C2SC2C=CC=CC1=2)S(=O)(=O)N(C)C)N(C)C"	"CS(=O)(=O)O"	"InChI=1S/C19H25N3O2S2/c1-14(20(2)3)13-22-16-8-6-7-9-18(16)25-19-11-10-15(12-17(19)22)26(23,24)21(4)5/h6-12,14H,13H2,1-5H3"	"VWNWVCJGUMZDIU-UHFFFAOYSA-N"	FALSE	FALSE	1320	3	4
"13115-71-4"	"DTXSID20156917"	"Glycylglutamine"	"EPA_DSSTox"	"NC(=O)CCC(NC(=O)CN)C(O)=O"	"?"	"InChI=1S/C7H13N3O4/c8-3-6(12)10-4(7(13)14)1-2-5(9)11/h4H,1-3,8H2,(H2,9,11)(H,10,12)(H,13,14)"	"PNMUAGGSDZXTHX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"131206-85-4"	"DTXSID0073871"	"1H-Imidazol-2-amine, 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitroso-"	"EPA_DSSTox"	"O=NNC1=NCCN1CC1C=CC(Cl)=NC=1"	"?"	"InChI=1S/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)"	"BGJQJWBDOOIKPP-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"13131-19-6"	NA	NA	"Public_CrossChecked"	"CN1C2C=CC(C1=O)C1=CC=CC=C12"	"?"	"InChI=1S/C12H11NO/c1-13-11-7-6-10(12(13)14)8-4-2-3-5-9(8)11/h2-7,10-11H,1H3"	"OWBAMKRGIUPCCJ-UHFFFAOYSA-N"	FALSE	FALSE	806	3	4
"13147-25-6"	"DTXSID40157062"	"N-Ethyl-N-hydroxyethylnitrosamine"	"EPA_DSSTox"	"CCN(CCO)N=O"	"?"	"InChI=1S/C4H10N2O2/c1-2-6(5-8)3-4-7/h7H,2-4H2,1H3"	"HNQBPUIXFDQDRJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"13150-00-0"	"DTXSID3052852"	"Sodium lauryl trioxyethylene sulfate"	"EPA_DSSTox"	"CCCCCCCCCCCCOCCOCCOCCOS(O)(=O)=O"	"[Na+]"	"InChI=1S/C18H38O7S/c1-2-3-4-5-6-7-8-9-10-11-12-22-13-14-23-15-16-24-17-18-25-26(19,20)21/h2-18H2,1H3,(H,19,20,21)"	"SBSKZXOUCHIBBW-UHFFFAOYSA-N"	FALSE	FALSE	1820	3	4
"13162-05-5"	"DTXSID9065366"	"Formamide, N-ethenyl-"	"EPA_DSSTox"	"C=CNC=O"	"?"	"InChI=1S/C3H5NO/c1-2-4-3-5/h2-3H,1H2,(H,4,5)"	"ZQXSMRAEXCEDJD-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"13171-21-6"	"DTXSID7021156"	"Phosphamidon"	"EPA_DSSTox"	"CC(OP(=O)(OC)OC)=C(Cl)C(=O)N(CC)CC"	"?"	"InChI=1S/C10H19ClNO5P/c1-6-12(7-2)10(13)9(11)8(3)17-18(14,15-4)16-5/h6-7H2,1-5H3"	"RGCLLPNLLBQHPF-UHFFFAOYSA-N"	TRUE	FALSE	8	1	2
"131807-57-3"	"DTXSID8034588"	"Famoxadone"	"EPA_DSSTox"	"CC1(OC(=O)N(NC2C=CC=CC=2)C1=O)C1C=CC(=CC=1)OC1C=CC=CC=1"	"?"	"InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3"	"PCCSBWNGDMYFCW-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"13181-17-4"	"DTXSID1041681"	"Bromofenoxim"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC(=C(C=C1)ON=CC1=CC(Br)=C(O)C(Br)=C1)[N+]([O-])=O"	"?"	"InChI=1S/C13H7Br2N3O6/c14-9-3-7(4-10(15)13(9)19)6-16-24-12-2-1-8(17(20)21)5-11(12)18(22)23/h1-6,19H"	"XTFNPKDYCLFGPV-UHFFFAOYSA-N"	FALSE	FALSE	1100	3	4
"131860-33-8"	"DTXSID0032520"	"Azoxystrobin"	"EPA_DSSTox"	"COC(=O)C(=COC)C1C=CC=CC=1OC1C=C(N=CN=1)OC1C=CC=CC=1C#N"	"?"	"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"	"WFDXOXNFNRHQEC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"131929-60-7"	"DTXSID8037598"	"Spinosyn A"	"EPA_DSSTox"	"CCC1CCCC(OC2CCC(C(C)O2)N(C)C)C(C)C(=O)C2=CC3C(C=CC4CC(CC43)OC3OC(C)C(OC)C(OC)C3OC)C2CC(=O)O1"	"?"	"InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3"	"SRJQTHAZUNRMPR-UHFFFAOYSA-N"	FALSE	TRUE	3738	3	5
"13194-48-4"	"DTXSID4032611"	"Ethoprop"	"EPA_DSSTox"	"CCOP(=O)(SCCC)SCCC"	"?"	"InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3"	"VJYFKVYYMZPMAB-UHFFFAOYSA-N"	TRUE	FALSE	33	1	2
"131983-72-7"	"DTXSID0032655"	"Triticonazole"	"EPA_DSSTox"	"CC1(C)CCC(=CC2C=CC(Cl)=CC=2)C1(O)CN1C=NC=N1"	"?"	"InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3"	"PPDBOQMNKNNODG-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"132-17-2"	"DTXSID0045096"	"Benztropine methylsulfonate"	"EPA_DSSTox"	"CN1C2CC(CC1CC2)OC(C1C=CC=CC=1)C1C=CC=CC=1"	"CS(O)(=O)=O"	"InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3"	"GIJXKZJWITVLHI-UHFFFAOYSA-N"	FALSE	FALSE	940	3	4
"132-18-3"	"DTXSID7047772"	"Diphenylpyraline hydrochloride"	"EPA_DSSTox"	"CN1CCC(CC1)OC(C1=CC=CC=C1)C1=CC=CC=C1"	"Cl"	"InChI=1S/C19H23NO/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3"	"OWQUZNMMYNAXSL-UHFFFAOYSA-N"	FALSE	FALSE	698	3	4
"132-20-7"	"DTXSID0025866"	"Pheniramine maleate"	"EPA_DSSTox"	"CN(C)CCC(C1C=CC=CN=1)C1C=CC=CC=1"	"C(/C=C\C(=O)[O-])(=O)[O-]"	"InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3"	"IJHNSHDBIRRJRN-UHFFFAOYSA-N"	FALSE	FALSE	520	3	4
"132-22-9"	"DTXSID0022804"	"Chlorpheniramine"	"EPA_DSSTox"	"CN(C)CCC(C1C=CC=CN=1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3"	"SOYKEARSMXGVTM-UHFFFAOYSA-N"	FALSE	FALSE	118	2	3
"132-27-4"	"DTXSID2021153"	"Sodium 2-phenylphenate"	"EPA_DSSTox"	"OC1=CC=CC=C1C1C=CC=CC=1"	"[Na+]"	"InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H"	"LLEMOWNGBBNAJR-UHFFFAOYSA-N"	FALSE	FALSE	656	3	4
"132-32-1"	"DTXSID1030319"	"3-Amino-9-ethylcarbazole"	"EPA_DSSTox"	"CCN1C2C=CC(N)=CC=2C2C=CC=CC1=2"	"?"	"InChI=1S/C14H14N2/c1-2-16-13-6-4-3-5-11(13)12-9-10(15)7-8-14(12)16/h3-9H,2,15H2,1H3"	"OXEUETBFKVCRNP-UHFFFAOYSA-N"	FALSE	FALSE	144	2	3
"132-66-1"	"DTXSID6032437"	"Naptalam"	"EPA_DSSTox"	"OC(=O)C1C=CC=CC=1C(=O)NC1=CC=CC2C=CC=CC=21"	"?"	"InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)"	"JXTHEWSKYLZVJC-UHFFFAOYSA-N"	FALSE	FALSE	1770	3	4
"132-67-2"	"DTXSID7034759"	"Naptalam-sodium"	"EPA_DSSTox"	"OC(=O)C1C=CC=CC=1C(=O)NC1=CC=CC2C=CC=CC=21"	"[Na+]"	"InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)"	"JXTHEWSKYLZVJC-UHFFFAOYSA-N"	FALSE	FALSE	1770	3	4
"132-69-4"	"DTXSID1045293"	"Benzydamine hydrochloride"	"EPA_DSSTox"	"CN(C)CCCOC1=NN(CC2C=CC=CC=2)C2C=CC=CC=21"	"Cl"	"InChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3"	"CNBGNNVCVSKAQZ-UHFFFAOYSA-N"	FALSE	FALSE	740	3	4
"132-81-0"	"DTXSID70157292"	"Maleic anhydride, dihydroxy-, bis(phenylacetate)"	"EPA_DSSTox"	"O=C(CC1C=CC=CC=1)OC1=C(OC(=O)CC2C=CC=CC=2)C(=O)OC1=O"	"?"	"InChI=1S/C20H14O7/c21-15(11-13-7-3-1-4-8-13)25-17-18(20(24)27-19(17)23)26-16(22)12-14-9-5-2-6-10-14/h1-10H,11-12H2"	"SVZZYSUBDXSGJH-UHFFFAOYSA-N"	FALSE	TRUE	8000	4	5
"132-82-1"	"DTXSID30157293"	"Maleic anhydride, dihydroxy-, dibutyrate"	"EPA_DSSTox"	"CCCC(=O)OC1=C(OC(=O)CCC)C(=O)OC1=O"	"?"	"InChI=1S/C12H14O7/c1-3-5-7(13)17-9-10(12(16)19-11(9)15)18-8(14)6-4-2/h3-6H2,1-2H3"	"SMFDSCCTAOVFIJ-UHFFFAOYSA-N"	FALSE	TRUE	15000	4	5
"132-98-9"	"DTXSID7021102"	"Penicillin VK"	"EPA_DSSTox"	"CC1(C)SC2C(NC(=O)COC3C=CC=CC=3)C(=O)N2C1C(O)=O"	"[K+]"	"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"	FALSE	FALSE	NA	3	4
"1320-51-0"	"DTXSID4051663"	"(Hydroxyethyl)urea"	"EPA_DSSTox"	"NC(=O)NCCO"	"?"	"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)"	"CLAHOZSYMRNIPY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1320-94-1"	NA	NA	"Public_CrossChecked"	"CC1(C)CCCO1"	"?"	"InChI=1S/C6H12O/c1-6(2)4-3-5-7-6/h3-5H2,1-2H3"	"ZPDIRKNRUWXYLJ-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"132031-81-3"	NA	NA	"Public_CrossChecked"	"CCCCCCCCOC(=O)C1C(C(C(=O)NC2CC2)C(C)=NC=1C)C1C=CC=CC=1[N+]([O-])=O"	"?"	"InChI=1S/C26H35N3O5/c1-4-5-6-7-8-11-16-34-26(31)23-18(3)27-17(2)22(25(30)28-19-14-15-19)24(23)20-12-9-10-13-21(20)29(32)33/h9-10,12-13,19,22,24H,4-8,11,14-16H2,1-3H3,(H,28,30)"	"ALHQDSJPFCKDNU-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"132050-00-1"	"DTXSID60157327"	"Methanediamine, N,N,N',N'-tetramethyl-, ethanedioate"	"EPA_DSSTox"	"CN(C)CN(C)C"	"OC(=O)C(O)=O"	"InChI=1S/C5H14N2/c1-6(2)5-7(3)4/h5H2,1-4H3"	"VGIVLIHKENZQHQ-UHFFFAOYSA-N"	FALSE	FALSE	1770	3	4
"132147-50-3"	"DTXSID70157373"	"4(1H)-Pyrimidinone, 2-(((2-(dimethylamino)phenyl)methyl)thio)-6-methyl-"	"EPA_DSSTox"	"CC1=CC(=O)N=C(N1)SCC1C=CC=CC=1N(C)C"	"?"	"InChI=1S/C14H17N3OS/c1-10-8-13(18)16-14(15-10)19-9-11-6-4-5-7-12(11)17(2)3/h4-8H,9H2,1-3H3,(H,15,16,18)"	"VISKAOXEWLBHES-UHFFFAOYSA-N"	FALSE	TRUE	2400	3	5
"132203-70-4"	"DTXSID0046309"	"Cilnidipine"	"EPA_DSSTox"	"COCCOC(=O)C1C(C(C(=O)OCC=CC2C=CC=CC=2)=C(C)NC=1C)C1=CC(=CC=C1)[N+]([O-])=O"	"?"	"InChI=1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3"	"KJEBULYHNRNJTE-UHFFFAOYSA-N"	FALSE	TRUE	4412	3	5
"13221-27-7"	"DTXSID70157434"	"Tribuzone"	"EPA_DSSTox"	"CC(C)(C)C(=O)CCC1C(=O)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O"	"?"	"InChI=1S/C22H24N2O3/c1-22(2,3)19(25)15-14-18-20(26)23(16-10-6-4-7-11-16)24(21(18)27)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3"	"OFVFGKQCUDMLLP-UHFFFAOYSA-N"	FALSE	FALSE	455	2	4
"13223-43-3"	"DTXSID8074576"	"[1,2,4]Triazolo[1,5-a]pyrimidin-2-amine, 5,7-dimethoxy-"	"EPA_DSSTox"	"COC1C=C(OC)N2N=C(N)N=C2N=1"	"?"	"InChI=1S/C7H9N5O2/c1-13-4-3-5(14-2)12-7(9-4)10-6(8)11-12/h3H,1-2H3,(H2,8,11)"	"SJEIPAUSEWIHJI-UHFFFAOYSA-N"	FALSE	FALSE	1030	3	4
"132299-20-8"	NA	NA	"Public_CrossChecked"	"CC(C)C(OCCO)C(C)C"	"?"	"InChI=1S/C9H20O2/c1-7(2)9(8(3)4)11-6-5-10/h7-10H,5-6H2,1-4H3"	"QXGSHGKOPJABTM-UHFFFAOYSA-N"	FALSE	FALSE	1070	3	4
"13230-99-4"	"DTXSID70157474"	"1H-Purine-2,8(3H,7H)-dione"	"EPA_DSSTox"	"O=C1NC2NC(=O)NC=2C=N1"	"?"	"InChI=1S/C5H4N4O2/c10-4-6-1-2-3(8-4)9-5(11)7-2/h1H,(H3,6,7,8,9,10,11)"	"PRUGQYWGIVNHEM-UHFFFAOYSA-N"	FALSE	FALSE	1820	3	4
"13231-00-0"	"DTXSID20157489"	"1H-Purine-6,8-dione, 7,9-dihydro-"	"EPA_DSSTox"	"O=C1NC2=C(NC=NC2=O)N1"	"?"	"InChI=1S/C5H4N4O2/c10-4-2-3(6-1-7-4)9-5(11)8-2/h1H,(H3,6,7,8,9,10,11)"	"BYUOBSUZYQAFJM-UHFFFAOYSA-N"	FALSE	FALSE	1759	3	4
"1324-11-4"	"DTXSID9051668"	"C.I. Vat Orange 23"	"EPA_DSSTox"	"O=C1C2=C(C3=CC=C4C5=C3C1=CC=C5C1=CC=CC=C1C4=O)C(Br)=CC=C2Br"	"?"	"InChI=1S/C24H10Br2O2/c25-17-9-10-18(26)22-21(17)14-6-8-15-19-12(5-7-16(20(14)19)24(22)28)11-3-1-2-4-13(11)23(15)27/h1-10H"	"XMDMAACDNUUUHQ-UHFFFAOYSA-N"	FALSE	TRUE	3570	3	5
"1324-76-1"	"DTXSID2027383"	"C.I. Pigment Blue 61"	"EPA_DSSTox"	"OS(=O)(=O)C1=CC=CC=C1NC1C=CC(=CC=1)C(C1C=CC(=CC=1)NC1C=CC=CC=1)=C1C=CC(C=C1)=NC1C=CC=CC=1 |c:34,t:41|"	"?"	"InChI=1S/C37H29N3O3S/c41-44(42,43)36-14-8-7-13-35(36)40-34-25-19-29(20-26-34)37(27-15-21-32(22-16-27)38-30-9-3-1-4-10-30)28-17-23-33(24-18-28)39-31-11-5-2-6-12-31/h1-26,38,40H,(H,41,42,43)/b37-28-,39-33+"	"XRICJEBVEBHBGH-KTDVXYIISA-N"	FALSE	TRUE	NA	4	5
"13244-33-2"	"DTXSID2065381"	"Benzenesulfonic acid, 2-amino-5-methoxy-"	"EPA_DSSTox"	"COC1=CC(=C(N)C=C1)S(O)(=O)=O"	"?"	"InChI=1S/C7H9NO4S/c1-12-5-2-3-6(8)7(4-5)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)"	"KZKGEEGADAWJFS-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"13244-35-4"	"DTXSID4051669"	"2-Chloro-4-(methylsulfonyl)aniline"	"EPA_DSSTox"	"CS(=O)(=O)C1C=CC(N)=C(Cl)C=1"	"?"	"InChI=1S/C7H8ClNO2S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3"	"VLMRGLCBIFWPGL-UHFFFAOYSA-N"	FALSE	TRUE	9500	4	5
"132449-89-9"	"DTXSID00157588"	"Lesopitron dihydrochloride"	"EPA_DSSTox"	"ClC1C=NN(CCCCN2CCN(CC2)C2N=CC=CN=2)C=1"	"Cl.Cl"	"InChI=1S/C15H21ClN6/c16-14-12-19-22(13-14)7-2-1-6-20-8-10-21(11-9-20)15-17-4-3-5-18-15/h3-5,12-13H,1-2,6-11H2"	"AHCPKWJUALHOPH-UHFFFAOYSA-N"	FALSE	FALSE	374	2	4
"13254-33-6"	"DTXSID1046924"	"Carpronium chloride"	"EPA_DSSTox"	"COC(=O)CCC[N+](C)(C)C"	"[Cl-]"	"InChI=1S/C8H18NO2/c1-9(2,3)7-5-6-8(10)11-4/h5-7H2,1-4H3/q+1"	"XQSLKIBWQSTAGK-UHFFFAOYSA-N"	FALSE	FALSE	478	2	4
"13254-34-7"	"DTXSID6041424"	"2,6-Dimethyl-2-heptanol"	"EPA_DSSTox"	"CC(C)CCCC(C)(C)O"	"?"	"InChI=1S/C9H20O/c1-8(2)6-5-7-9(3,4)10/h8,10H,5-7H2,1-4H3"	"HGDVHRITTGWMJK-UHFFFAOYSA-N"	FALSE	TRUE	6800	4	5
"13256-06-9"	"DTXSID9020536"	"Dipentylnitrosamine"	"EPA_DSSTox"	"CCCCCN(CCCCC)N=O"	"?"	"InChI=1S/C10H22N2O/c1-3-5-7-9-12(11-13)10-8-6-4-2/h3-10H2,1-2H3"	"OELWBYBVFOLSTA-UHFFFAOYSA-N"	FALSE	FALSE	1750	3	4
"13256-11-6"	"DTXSID9021003"	"Nitroso-N-methyl-N-(2-phenyl)ethylamine"	"EPA_DSSTox"	"CN(CCC1C=CC=CC=1)N=O"	"?"	"InChI=1S/C9H12N2O/c1-11(10-12)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3"	"AVESHLVLHJKUKQ-UHFFFAOYSA-N"	TRUE	FALSE	48	1	2
"13256-12-7"	NA	NA	"Public_CrossChecked"	"CN(CCN(C)N=O)N=O"	"?"	"InChI=1S/C4H10N4O2/c1-7(5-9)3-4-8(2)6-10/h3-4H2,1-2H3"	"YHIARNFLMZPJGR-UHFFFAOYSA-N"	FALSE	FALSE	125	2	3
"13256-13-8"	"DTXSID90157618"	"Vinylethylnitrosamine"	"EPA_DSSTox"	"CCN(C=C)N=O"	"?"	"InChI=1S/C4H8N2O/c1-3-6(4-2)5-7/h3H,1,4H2,2H3"	"KAXILSKFDQXZPP-UHFFFAOYSA-N"	FALSE	FALSE	88	2	3
"13256-19-4"	"DTXSID60157620"	"N-Nitrosodiethanolamine diacetate"	"EPA_DSSTox"	"CC(=O)OCCN(CCOC(C)=O)N=O"	"?"	"InChI=1S/C8H14N2O5/c1-7(11)14-5-3-10(9-13)4-6-15-8(2)12/h3-6H2,1-2H3"	"KBGJEXGMSFHMPC-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"13256-22-9"	"DTXSID9074309"	"N-Nitrososarcosine"	"EPA_DSSTox"	"CN(CC(O)=O)N=O"	"?"	"InChI=1S/C3H6N2O3/c1-5(4-8)2-3(6)7/h2H2,1H3,(H,6,7)"	"HJMPSKKJHVWPBK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"13256-23-0"	NA	NA	"Public_CrossChecked"	"CCN(CC1C=CN=CC=1)N=O"	"?"	"InChI=1S/C8H11N3O/c1-2-11(10-12)7-8-3-5-9-6-4-8/h3-6H,2,7H2,1H3"	"HXKBADXWZNBJSW-UHFFFAOYSA-N"	TRUE	FALSE	40	1	2
"13256-32-1"	"DTXSID5074501"	"N,N'-Dimethyl-N-nitrosourea"	"EPA_DSSTox"	"CNC(=O)N(C)N=O"	"?"	"InChI=1S/C3H7N3O2/c1-4-3(7)6(2)5-8/h1-2H3,(H,4,7)"	"BHMHNSQLZKUIMD-UHFFFAOYSA-N"	FALSE	FALSE	280	2	3
"13257-44-8"	"DTXSID3051670"	"1,1-Dimethoxynon-2-yne"	"EPA_DSSTox"	"CCCCCCC#CC(OC)OC"	"?"	"InChI=1S/C11H20O2/c1-4-5-6-7-8-9-10-11(12-2)13-3/h11H,4-8H2,1-3H3"	"RPJGIPAAHSGBEZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"13265-01-5"	"DTXSID40157683"	"Tyrosine, alpha,3-dimethyl-, methyl ester, hydrochloride"	"EPA_DSSTox"	"CC1C=C(CC(C)(N)C(=O)OC)C=CC=1O"	"Cl"	"InChI=1S/C12H17NO3/c1-8-6-9(4-5-10(8)14)7-12(2,13)11(15)16-3/h4-6,14H,7,13H2,1-3H3"	"IJHKPBBVCNYJME-UHFFFAOYSA-N"	FALSE	FALSE	1400	3	4
"13265-60-6"	"DTXSID0020490"	"O,O-Dimethyl S-2(acetylamino)ethyl dithiophosphate, technical grade"	"EPA_DSSTox"	"CC(=O)NCCSP(=S)(OC)OC"	"?"	"InChI=1S/C6H14NO3PS2/c1-6(8)7-4-5-13-11(12,9-2)10-3/h4-5H2,1-3H3,(H,7,8)"	"BETVNUCOOCCCIO-UHFFFAOYSA-N"	FALSE	FALSE	220	2	3
"13275-18-8"	NA	NA	"Public_CrossChecked"	"CC(Cl)CCC(C)Cl"	"?"	"InChI=1S/C6H12Cl2/c1-5(7)3-4-6(2)8/h5-6H,3-4H2,1-2H3"	"RRFNCPBJVPQIPP-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"1328-90-1"	NA	NA	"Public_CrossChecked"	"COC1CC23C(CCN2CCC2COC(=O)CC3=2)=CC1"	"Cl"	"InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3"	"ALSKYCOJJPXPFS-UHFFFAOYSA-N"	FALSE	FALSE	320	2	4
"13283-96-0"	"DTXSID70157813"	"Hexanoic acid, compd. with dicyclohexylamine (1:1)"	"EPA_DSSTox"	"C1CCCCC1NC1CCCCC1"	"OC(=O)CCCCC"	"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"	FALSE	TRUE	2580	3	5
"13286-40-3"	"DTXSID70157818"	"Phosphorodithioic acid, O,O-diethyl S-m-nitrobenzyl ester"	"EPA_DSSTox"	"CCOP(=S)(OCC)SCC1=CC(=CC=C1)[N+]([O-])=O"	"?"	"InChI=1S/C11H16NO4PS2/c1-3-15-17(18,16-4-2)19-9-10-6-5-7-11(8-10)12(13)14/h5-8H,3-4,9H2,1-2H3"	"MIFPMXSEMTYMRE-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"13289-13-9"	NA	NA	"Public_CrossChecked"	"COP(=S)(Cl)OCC"	"?"	"InChI=1S/C3H8ClO2PS/c1-3-6-7(4,8)5-2/h3H2,1-2H3"	"BYHUURFQWCMINB-UHFFFAOYSA-N"	FALSE	FALSE	700	3	4
"13290-96-5"	"DTXSID3065403"	"Dimethyl 5-nitroisophthalate"	"EPA_DSSTox"	"COC(=O)C1=CC(=CC(=C1)C(=O)OC)[N+]([O-])=O"	"?"	"InChI=1S/C10H9NO6/c1-16-9(12)6-3-7(10(13)17-2)5-8(4-6)11(14)15/h3-5H,1-2H3"	"GGTSJKFPGKFLCZ-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"132907-72-3"	"DTXSID3021223"	"Ramosetron hydrochloride"	"EPA_DSSTox"	"CN1C=C(C(=O)C2CC3N=CNC=3CC2)C2C=CC=CC1=2"	"Cl"	"InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)"	"NTHPAPBPFQJABD-UHFFFAOYSA-N"	FALSE	FALSE	1264	3	4
"13292-87-0"	"DTXSID3051672"	"Dimethyl sulfide borane"	"EPA_DSSTox"	"CSC"	"B"	"InChI=1S/C2H6S/c1-3-2/h1-2H3"	"QMMFVYPAHWMCMS-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"133-06-2"	"DTXSID9020243"	"Captan"	"EPA_DSSTox"	"O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)Cl"	"?"	"InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2"	"LDVVMCZRFWMZSG-UHFFFAOYSA-N"	FALSE	TRUE	9000	4	5
"133-14-2"	"DTXSID4044539"	"Bis(2,4-dichlorophenyl)peroxyanhydride"	"EPA_DSSTox"	"O=C(OOC(=O)C1C=CC(Cl)=CC=1Cl)C1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C14H6Cl4O4/c15-7-1-3-9(11(17)5-7)13(19)21-22-14(20)10-4-2-8(16)6-12(10)18/h1-6H"	"WRXCBRHBHGNNQA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"133-47-1"	NA	NA	"Public_CrossChecked"	"COC(=O)C(O)C(=O)C(=O)OC"	"?"	"InChI=1S/C6H8O6/c1-11-5(9)3(7)4(8)6(10)12-2/h3,7H,1-2H3"	"YILDXAFAQMGJPF-UHFFFAOYSA-N"	FALSE	TRUE	8000	4	5
"133-66-4"	"DTXSID90889422"	"Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]amino]-, sodium salt (1:2)"	"EPA_DSSTox"	"OS(=O)(=O)C1=CC(=CC=C1C=CC1=CC=C(C=C1S(O)(=O)=O)NC1=NC(NC2C=CC=CC=2)=NC(NC2C=CC=CC=2)=N1)NC1=NC(NC2C=CC=CC=2)=NC(NC2C=CC=CC=2)=N1"	"[Na+].[Na+]"	"InChI=1S/C44H36N12O6S2/c57-63(58,59)37-27-35(49-43-53-39(45-31-13-5-1-6-14-31)51-40(54-43)46-32-15-7-2-8-16-32)25-23-29(37)21-22-30-24-26-36(28-38(30)64(60,61)62)50-44-55-41(47-33-17-9-3-10-18-33)52-42(56-44)48-34-19-11-4-12-20-34/h1-28H,(H,57,58,59)(H,60,61,62)(H3,45,46,49,51,53,54)(H3,47,48,50,52,55,56)"	"HRHCYUBSBRXMIN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1330-61-6"	NA	NA	"Public_CrossChecked"	"CC(C)CCCCCCCOC(=O)C=C"	"?"	"InChI=1S/C13H24O2/c1-4-13(14)15-11-9-7-5-6-8-10-12(2)3/h4,12H,1,5-11H2,2-3H3"	"LVGFPWDANALGOY-UHFFFAOYSA-N"	FALSE	TRUE	12000	4	5
"1331-07-3"	NA	NA	"Public_CrossChecked"	"OCCC(O)Cl"	"?"	"InChI=1S/C3H7ClO2/c4-3(6)1-2-5/h3,5-6H,1-2H2"	"PSYQXTDKRKLJQC-UHFFFAOYSA-N"	FALSE	FALSE	110	2	3
"1331-12-0"	"DTXSID8051677"	"Propane-1,2-diol, monoacetate"	"EPA_DSSTox"	"CC(O)COC(C)=O"	"?"	"InChI=1S/C5H10O3/c1-4(6)3-8-5(2)7/h4,6H,3H2,1-2H3"	"PPPFYBPQAPISCT-UHFFFAOYSA-N"	FALSE	TRUE	18000	4	5
"1331-27-7"	"DTXSID50157952"	"3-(2-Diethylaminohydrazinyl)propan-1-ol"	"EPA_DSSTox"	"CCN(CC)NNCCCO"	"?"	"InChI=1S/C7H19N3O/c1-3-10(4-2)9-8-6-5-7-11/h8-9,11H,3-7H2,1-2H3"	"KGKKBNYECPRBFY-UHFFFAOYSA-N"	FALSE	TRUE	3730	3	5
"1331-41-5"	NA	NA	"Public_CrossChecked"	"CC(NCCO)C1C=CC=CC=1"	"?"	"InChI=1S/C10H15NO/c1-9(11-7-8-12)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3"	"GXIWMXAAPLZOBY-UHFFFAOYSA-N"	FALSE	TRUE	2830	3	5
"1331-50-6"	NA	NA	"Public_CrossChecked"	"CCCCC(C)C(C)C(C)C(C)=O"	"?"	"InChI=1S/C12H24O/c1-6-7-8-9(2)10(3)11(4)12(5)13/h9-11H,6-8H2,1-5H3"	"PKNKULBDCRZSBT-UHFFFAOYSA-N"	FALSE	TRUE	8470	4	5
"13311-84-7"	"DTXSID7032004"	"Flutamide"	"EPA_DSSTox"	"CC(C)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F"	"?"	"InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)"	"MKXKFYHWDHIYRV-UHFFFAOYSA-N"	FALSE	FALSE	787	3	4
"13324-20-4"	"DTXSID2065412"	"2-Anthracenesulfonic acid, 1-amino-4-[[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-"	"EPA_DSSTox"	"NC1C2=C(C(=CC=1S(O)(=O)=O)NC1=CC(NC3N=C(Cl)N=C(Cl)N=3)=C(C=C1)S(O)(=O)=O)C(=O)C1=CC=CC=C1C2=O"	"?"	"InChI=1S/C23H14Cl2N6O8S2/c24-21-29-22(25)31-23(30-21)28-12-7-9(5-6-14(12)40(34,35)36)27-13-8-15(41(37,38)39)18(26)17-16(13)19(32)10-3-1-2-4-11(10)20(17)33/h1-8,27H,26H2,(H,34,35,36)(H,37,38,39)(H,28,29,30,31)"	"RTLULCVBFCRQKI-UHFFFAOYSA-N"	FALSE	TRUE	8980	4	5
"1333-39-7"	NA	NA	"Public_CrossChecked"	"OC1C=CC=CC=1S(O)(=O)=O"	"?"	"InChI=1S/C6H6O4S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4,7H,(H,8,9,10)"	"IULJSGIJJZZUMF-UHFFFAOYSA-N"	FALSE	FALSE	1900	3	4
"1333-53-5"	NA	NA	"Public_CrossChecked"	"CC(C)C1C=CN=C2C=CC=CC=12"	"?"	"InChI=1S/C12H13N/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12/h3-9H,1-2H3"	"HFYWOOUKPVJGBA-UHFFFAOYSA-N"	FALSE	FALSE	940	3	4
"1333-89-7"	NA	NA	"Public_CrossChecked"	"CC(C)C1CCC2C(CCC3C(C)(CO)CCCC32C)=C1"	"?"	"InChI=1S/C20H34O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12,14-15,17-18,21H,5-11,13H2,1-4H3"	"FLMIYUXOBAUKJM-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"13330-31-9"	NA	NA	"Public_CrossChecked"	"CC(COC1C=CC(Cl)=CC=1Cl)C(O)=O"	"?"	"InChI=1S/C10H10Cl2O3/c1-6(10(13)14)5-15-9-3-2-7(11)4-8(9)12/h2-4,6H,5H2,1H3,(H,13,14)"	"SCWLXYQCDAPVOO-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"13331-81-2"	"DTXSID20158072"	"3-Pyridinol, 4,5-di(mercaptomethyl)-2-methyl-, hydrochloride"	"EPA_DSSTox"	"CC1N=CC(CS)=C(CS)C=1O"	"Cl"	"InChI=1S/C8H11NOS2/c1-5-8(10)7(4-12)6(3-11)2-9-5/h2,10-12H,3-4H2,1H3"	"WRMLOOFXWYUWNA-UHFFFAOYSA-N"	FALSE	FALSE	549	3	4
"1335-46-2"	NA	NA	"Public_CrossChecked"	"CC1=CCCC(C)(C)C1C=CC(=O)CC"	"?"	"InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3"	"VPKMGDRERYMTJX-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"1335-47-3"	NA	NA	"Public_CrossChecked"	"CC1C=CC(CC2C=CC(C)=CC=2)=CC=1"	"?"	"InChI=1S/C15H16/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3"	"HZAWPPRBCALFRN-UHFFFAOYSA-N"	FALSE	TRUE	3800	3	5
"13352-70-0"	NA	NA	"Public_CrossChecked"	"CCN(CCOC1(CCCCC1)C1C=CC(Cl)=CC=1)CC"	"[Cl-]"	"InChI=1S/C18H28ClNO/c1-3-20(4-2)14-15-21-18(12-6-5-7-13-18)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15H2,1-2H3"	"FFCARBNHUSWRGK-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"1336-36-3"	NA	NA	"Public_CrossChecked"	"ClC1C=C(C=C(Cl)C=1Cl)C1=CC(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"	FALSE	TRUE	4250	3	5
"13360-45-7"	"DTXSID6040290"	"Chlorbromuron"	"EPA_DSSTox"	"CON(C)C(=O)NC1C=CC(Br)=C(Cl)C=1"	"?"	"InChI=1S/C9H10BrClN2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)"	"NLYNUTMZTCLNOO-UHFFFAOYSA-N"	FALSE	TRUE	2150	3	5
"13360-57-1"	"DTXSID6065420"	"Sulfamoyl chloride, dimethyl-"	"EPA_DSSTox"	"CN(C)S(=O)(=O)Cl"	"?"	"InChI=1S/C2H6ClNO2S/c1-4(2)7(3,5)6/h1-2H3"	"JFCHSQDLLFJHOA-UHFFFAOYSA-N"	FALSE	FALSE	1215	3	4
"13360-63-9"	"DTXSID6025276"	"N-Ethyl-N-butylamine"	"EPA_DSSTox"	"CCCCNCC"	"?"	"InChI=1S/C6H15N/c1-3-5-6-7-4-2/h7H,3-6H2,1-2H3"	"QHCCDDQKNUYGNC-UHFFFAOYSA-N"	FALSE	FALSE	310	2	4
"13360-64-0"	"DTXSID6065422"	"Pyrazine, 2-ethyl-5-methyl-"	"EPA_DSSTox"	"CC1C=NC(CC)=CN=1"	"?"	"InChI=1S/C7H10N2/c1-3-7-5-8-6(2)4-9-7/h4-5H,3H2,1-2H3"	"OXCKCFJIKRGXMM-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"13361-32-5"	"DTXSID1065425"	"Acetic acid, cyano-, 2-propenyl ester"	"EPA_DSSTox"	"C=CCOC(=O)CC#N"	"?"	"InChI=1S/C6H7NO2/c1-2-5-9-6(8)3-4-7/h2H,1,3,5H2"	"WXKCRCGKCOKJEF-UHFFFAOYSA-N"	FALSE	FALSE	160	2	3
"13361-34-7"	"DTXSID9044378"	"2-Ethylhexyl cyanoacetate"	"EPA_DSSTox"	"CCCCC(COC(=O)CC#N)CC"	"?"	"InChI=1S/C11H19NO2/c1-3-5-6-10(4-2)9-14-11(13)7-8-12/h10H,3-7,9H2,1-2H3"	"ZNYBQVBNSXLZNI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1338-23-4"	"DTXSID1024671"	"2-Butanone peroxide"	"EPA_DSSTox"	"CC(CC)(OOC(C)(CC)OO)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"	FALSE	FALSE	484	2	4
"1338-32-5"	NA	NA	"Public_CrossChecked"	"OC(=O)C1C=CC=CC=1Cl"	"C[NH2+]C"	"InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)"	"IKCLCGXPQILATA-UHFFFAOYSA-N"	FALSE	FALSE	1140	3	4
"1338-41-6"	"DTXSID1027396"	"Sorbitan, monooctadecanoate"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O"	"?"	"InChI=1S/C24H46O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h20-21,23-26,28H,2-19H2,1H3"	"HVUMOYIDDBPOLL-UHFFFAOYSA-N"	FALSE	TRUE	31000	4	5
"133855-98-8"	"DTXSID1040372"	"Epoxiconazole"	"EPA_DSSTox"	"FC1C=CC(=CC=1)C1(CN2C=NC=N2)OC1C1C=CC=CC=1Cl"	"?"	"InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2"	"ZMYFCFLJBGAQRS-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"133908-64-2"	NA	NA	"Public_CrossChecked"	"COC(=O)C1C(C(C(=O)OC2COC3C(O)COC23)=C(C)N=C1C)C1=CC(=CC=C1)[N+]([O-])=O"	"?"	"InChI=1S/C22H24N2O9/c1-10-16(21(26)30-3)18(12-5-4-6-13(7-12)24(28)29)17(11(2)23-10)22(27)33-15-9-32-19-14(25)8-31-20(15)19/h4-7,14-16,18-20,25H,8-9H2,1-3H3"	"MSJUVOJLGGRLHL-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1339119-15-1"	"DTXSID60889292"	"4,7-Methano-1H-indene-5-acetaldehyde, octahydro-"	"EPA_DSSTox"	"O=CCC1CC2CC1C1CCCC21"	"?"	"InChI=1S/C12H18O/c13-5-4-8-6-9-7-12(8)11-3-1-2-10(9)11/h5,8-12H,1-4,6-7H2"	"BFTAXJRKNXWMMX-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"134-20-3"	"DTXSID6025567"	"Methyl 2-aminobenzoate"	"EPA_DSSTox"	"COC(=O)C1C=CC=CC=1N"	"?"	"InChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3"	"VAMXMNNIEUEQDV-UHFFFAOYSA-N"	FALSE	TRUE	2910	3	5
"134-32-7"	"DTXSID7020920"	"1-Naphthylamine"	"EPA_DSSTox"	"NC1=CC=CC2=CC=CC=C21"	"?"	"InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2"	"RUFPHBVGCFYCNW-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"134-36-1"	"DTXSID9022994"	"Erythromycin propionate"	"EPA_DSSTox"	"COC1(C)CC(OC(C)C1O)OC1C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC(C)(O)C(OC2OC(C)CC(C2OC(=O)CC)N(C)C)C1C"	"?"	"InChI=1S/C40H71NO14/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3"	"TYQXKHPOXXXCTP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"134-37-2"	"DTXSID50158449"	"Amphenidone"	"EPA_DSSTox"	"NC1C=C(C=CC=1)N1C=CC=CC1=O"	"?"	"InChI=1S/C11H10N2O/c12-9-4-3-5-10(8-9)13-7-2-1-6-11(13)14/h1-8H,12H2"	"ZVSGUZQJNXHNIL-UHFFFAOYSA-N"	FALSE	TRUE	2300	3	5
"134-49-6"	"DTXSID5023455"	"Phenmetrazine"	"EPA_DSSTox"	"CC1NCCOC1C1C=CC=CC=1"	"?"	"InChI=1S/C11H15NO/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3"	"OOBHFESNSZDWIU-UHFFFAOYSA-N"	FALSE	FALSE	370	2	4
"134-62-3"	"DTXSID2021995"	"DEET"	"EPA_DSSTox"	"CC1C=CC=C(C=1)C(=O)N(CC)CC"	"?"	"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"	FALSE	FALSE	1950	3	4
"134-80-5"	"DTXSID4047838"	"Diethylpropion hydrochloride"	"EPA_DSSTox"	"CC(C(=O)C1C=CC=CC=1)N(CC)CC"	"Cl"	"InChI=1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3"	"XXEPPPIWZFICOJ-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"134-97-4"	"DTXSID7059644"	"1,3,5-Triazin-2(1H)-one, 5-ethyltetrahydro-1,3-bis(hydroxymethyl)-"	"EPA_DSSTox"	"CCN1CN(CO)C(=O)N(C1)CO"	"?"	"InChI=1S/C7H15N3O3/c1-2-8-3-9(5-11)7(13)10(4-8)6-12/h11-12H,2-6H2,1H3"	"PTNSEMBHJXYTES-UHFFFAOYSA-N"	FALSE	TRUE	8220	4	5
"13402-08-9"	"DTXSID8048789"	"Acetylpheneturide"	"EPA_DSSTox"	"CC(=O)NC(=O)NC(=O)C(CC)C1C=CC=CC=1"	"?"	"InChI=1S/C13H16N2O3/c1-3-11(10-7-5-4-6-8-10)12(17)15-13(18)14-9(2)16/h4-8,11H,3H2,1-2H3,(H2,14,15,16,17,18)"	"GBPZSCQLDXUGNO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"13412-64-1"	"DTXSID2049002"	"Dicloxacillin sodium salt monohydrate"	"EPA_DSSTox"	"CC1ON=C(C=1C(=O)NC1C2SC(C)(C)C(C(O)=O)N2C1=O)C1C(Cl)=CC=CC=1Cl"	"[Na+].O"	"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"	FALSE	TRUE	3579	3	5
"134169-75-8"	"DTXSID80158578"	"Servier-12968"	"EPA_DSSTox"	"CC1NC(COCCOCCN)=C(C(C=1C(=O)OC)C1C=CC=C(Cl)C=1Cl)C(=O)OCC"	"O[C@H]([C@@H](O)C(O)=O)C(O)=O"	"InChI=1S/C22H28Cl2N2O6/c1-4-32-22(28)19-16(12-31-11-10-30-9-8-25)26-13(2)17(21(27)29-3)18(19)14-6-5-7-15(23)20(14)24/h5-7,18,26H,4,8-12,25H2,1-3H3"	"VLTBMBOHGZAWIT-UHFFFAOYSA-N"	FALSE	FALSE	136	2	3
"13423-60-4"	"DTXSID70158603"	"1H-1,2,4-Triazole, 1-phenyl-"	"EPA_DSSTox"	"C1=NN(C=N1)C1C=CC=CC=1"	"?"	"InChI=1S/C8H7N3/c1-2-4-8(5-3-1)11-7-9-6-10-11/h1-7H"	"CGRLXLHYYDSTKR-UHFFFAOYSA-N"	FALSE	FALSE	674	3	4
"134308-13-7"	"DTXSID3023685"	"Tolcapone"	"EPA_DSSTox"	"CC1=CC=C(C=C1)C(=O)C1C=C(C(O)=C(O)C=1)[N+]([O-])=O"	"?"	"InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3"	"MIQPIUSUKVNLNT-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"13443-29-3"	NA	NA	"Public_CrossChecked"	"O=C(OCC1CO1)C1C=CC=CC=1"	"?"	"InChI=1S/C10H10O3/c11-10(13-7-9-6-12-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2"	"XRQKARZTFMEBBY-UHFFFAOYSA-N"	FALSE	FALSE	1410	3	4
"134528-32-8"	NA	NA	"Public_CrossChecked"	"OCC1OC(C(O)C1O)[n]1cc(C=CBr)c(=O)[nH]c1=O"	"?"	"InChI=1S/C11H13BrN2O6/c12-2-1-5-3-14(11(19)13-9(5)18)10-8(17)7(16)6(4-15)20-10/h1-3,6-8,10,15-17H,4H2,(H,13,18,19)"	"GCQYYIHYQMVWLT-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"134605-64-4"	"DTXSID9034365"	"Butafenacil"	"EPA_DSSTox"	"CC(C)(OC(=O)C1C=C(C=CC=1Cl)N1C(=O)C=C(N(C)C1=O)C(F)(F)F)C(=O)OCC=C"	"?"	"InChI=1S/C20H18ClF3N2O6/c1-5-8-31-17(29)19(2,3)32-16(28)12-9-11(6-7-13(12)21)26-15(27)10-14(20(22,23)24)25(4)18(26)30/h5-7,9-10H,1,8H2,2-4H3"	"JEDYYFXHPAIBGR-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"134652-60-1"	"DTXSID30620558"	"Tri(propan-2-yl)silyl 2-methylprop-2-enoate"	"EPA_DSSTox"	"CC(=C)C(=O)O[Si](C(C)C)(C(C)C)C(C)C"	"?"	"InChI=1S/C13H26O2Si/c1-9(2)13(14)15-16(10(3)4,11(5)6)12(7)8/h10-12H,1H2,2-8H3"	"KNNOZYMZRGTZQM-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"13466-78-9"	"DTXSID4047462"	"3-Carene"	"EPA_DSSTox"	"CC1CC2C(CC=1)C2(C)C"	"?"	"InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3"	"BQOFWKZOCNGFEC-UHFFFAOYSA-N"	FALSE	TRUE	4800	3	5
"134701-20-5"	"DTXSID2051685"	"2-(Hexadecan-2-yl)-4,6-dimethylphenol"	"EPA_DSSTox"	"CCCCCCCCCCCCCCC(C)C1=CC(C)=CC(C)=C1O"	"?"	"InChI=1S/C24H42O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21(3)23-19-20(2)18-22(4)24(23)25/h18-19,21,25H,5-17H2,1-4H3"	"TVWGHFVGFWIHFN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"13472-08-7"	"DTXSID8027747"	"2,2'-Azobis(2-methylbutanenitrile)"	"EPA_DSSTox"	"CC(CC)(C#N)N=NC(C)(CC)C#N"	"?"	"InChI=1S/C10H16N4/c1-5-9(3,7-11)13-14-10(4,6-2)8-12/h5-6H2,1-4H3"	"AVTLBBWTUPQRAY-UHFFFAOYSA-N"	FALSE	FALSE	333	2	4
"13473-38-6"	"DTXSID9048481"	"Pipenzolate"	"EPA_DSSTox"	"CC[N+]1(C)CC(CCC1)OC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C22H28NO3/c1-3-23(2)16-10-15-20(17-23)26-21(24)22(25,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20,25H,3,10,15-17H2,1-2H3/q+1"	"WPUKUEMZZRVAKZ-UHFFFAOYSA-N"	FALSE	FALSE	850	3	4
"13475-82-6"	"DTXSID0042034"	"2,2,4,6,6-Pentamethylheptane"	"EPA_DSSTox"	"CC(CC(C)(C)C)CC(C)(C)C"	"?"	"InChI=1S/C12H26/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,8-9H2,1-7H3"	"VKPSKYDESGTTFR-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"13481-63-5"	"DTXSID70158961"	"1H-Tetrazole, 5-(o-(alpha,alpha,alpha-trifluoro-m-toluidino)phenyl)-"	"EPA_DSSTox"	"FC(F)(F)C1=CC(=CC=C1)NC1C=CC=CC=1C1N=NNN=1"	"?"	"InChI=1S/C14H10F3N5/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13-19-21-22-20-13/h1-8,18H,(H,19,20,21,22)"	"JPEXITLSZOMSFC-UHFFFAOYSA-N"	FALSE	FALSE	455	2	4
"134880-74-3"	"DTXSID70159019"	"Benzamide, 3,5-bis(trifluoromethyl)-, N-(5-chloro-4-(trifluoromethyl)-2-thiazolyl)-"	"EPA_DSSTox"	"O=C(NC1=NC(=C(Cl)S1)C(F)(F)F)C1C=C(C=C(C=1)C(F)(F)F)C(F)(F)F"	"?"	"InChI=1S/C13H4ClF9N2OS/c14-8-7(13(21,22)23)24-10(27-8)25-9(26)4-1-5(11(15,16)17)3-6(2-4)12(18,19)20/h1-3H,(H,24,25,26)"	"ISHSAVCUWFOHQK-UHFFFAOYSA-N"	FALSE	FALSE	69	2	3
"135-02-4"	"DTXSID1051690"	"2-Methoxybenzaldehyde"	"EPA_DSSTox"	"COC1C=CC=CC=1C=O"	"?"	"InChI=1S/C8H8O2/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3"	"PKZJLOCLABXVMC-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"135-07-9"	"DTXSID6023313"	"Methyclothiazide"	"EPA_DSSTox"	"CN1C(CCl)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O"	"?"	"InChI=1S/C9H11Cl2N3O4S2/c1-14-9(4-10)13-6-2-5(11)7(19(12,15)16)3-8(6)20(14,17)18/h2-3,9,13H,4H2,1H3,(H2,12,15,16)"	"CESYKOGBSMNBPD-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"135-19-3"	"DTXSID5027061"	"2-Naphthalenol"	"EPA_DSSTox"	"OC1=CC2=CC=CC=C2C=C1"	"?"	"InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H"	"JWAZRIHNYRIHIV-UHFFFAOYSA-N"	FALSE	FALSE	1960	3	4
"135-20-6"	"DTXSID1020352"	"Cupferron"	"EPA_DSSTox"	"ON(N=O)C1C=CC=CC=1"	"[NH4+]"	"InChI=1S/C6H6N2O2/c9-7-8(10)6-4-2-1-3-5-6/h1-5,10H"	"DAHPIMYBWVSMKQ-UHFFFAOYSA-N"	FALSE	FALSE	199	2	3
"135-57-9"	"DTXSID7041629"	"2,2'-Dibenzoylaminodiphenyl disulfide"	"EPA_DSSTox"	"O=C(NC1C=CC=CC=1SSC1=CC=CC=C1NC(=O)C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C26H20N2O2S2/c29-25(19-11-3-1-4-12-19)27-21-15-7-9-17-23(21)31-32-24-18-10-8-16-22(24)28-26(30)20-13-5-2-6-14-20/h1-18H,(H,27,29)(H,28,30)"	"ZHMIOPLMFZVSHY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"135-62-6"	"DTXSID6038877"	"3-Hydroxy-2-naphthoic o-anisidide"	"EPA_DSSTox"	"COC1=CC=CC=C1NC(=O)C1=CC2=CC=CC=C2C=C1O"	"?"	"InChI=1S/C18H15NO3/c1-22-17-9-5-4-8-15(17)19-18(21)14-10-12-6-2-3-7-13(12)11-16(14)20/h2-11,20H,1H3,(H,19,21)"	"AQYMRQUYPFCXDM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"135-63-7"	"DTXSID1059654"	"2-Naphthalenecarboxamide, N-(5-chloro-2-methylphenyl)-3-hydroxy-"	"EPA_DSSTox"	"CC1C=CC(Cl)=CC=1NC(=O)C1=CC2C=CC=CC=2C=C1O"	"?"	"InChI=1S/C18H14ClNO2/c1-11-6-7-14(19)10-16(11)20-18(22)15-8-12-4-2-3-5-13(12)9-17(15)21/h2-10,21H,1H3,(H,20,22)"	"XZOACPDZZYNJER-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"135-88-6"	"DTXSID4021131"	"N-Phenyl-2-naphthylamine"	"EPA_DSSTox"	"C1=C(C=CC2C=CC=CC=21)NC1C=CC=CC=1"	"?"	"InChI=1S/C16H13N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-12,17H"	"KEQFTVQCIQJIQW-UHFFFAOYSA-N"	FALSE	TRUE	8730	4	5
"13508-53-7"	"DTXSID0065515"	"Silane, (chloromethyl)ethoxydimethyl-"	"EPA_DSSTox"	"CCO[Si](C)(C)CCl"	"?"	"InChI=1S/C5H13ClOSi/c1-4-7-8(2,3)5-6/h4-5H2,1-3H3"	"IGMQAYXTTRYCPZ-UHFFFAOYSA-N"	FALSE	FALSE	1550	3	4
"13515-40-7"	"DTXSID6051691"	"C.I. Pigment Yellow 73"	"EPA_DSSTox"	"CC(=O)C(N=NC1=CC=C(Cl)C=C1[N+]([O-])=O)C(=O)NC1=CC=CC=C1OC"	"?"	"InChI=1S/C17H15ClN4O5/c1-10(23)16(17(24)19-13-5-3-4-6-15(13)27-2)21-20-12-8-7-11(18)9-14(12)22(25)26/h3-9,16H,1-2H3,(H,19,24)"	"QPHCXDDGQQLPIM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"135158-54-2"	"DTXSID1032519"	"Acibenzolar-S-methyl"	"EPA_DSSTox"	"CSC(=O)C1=CC=CC2N=NSC1=2"	"?"	"InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3"	"UELITFHSCLAHKR-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"13516-27-3"	"DTXSID7042015"	"Guanidine, N,N'''-(iminodi-8,1-octanediyl)bis-"	"EPA_DSSTox"	"[H]/N=C(\N)/NCCCCCCCCNCCCCCCCCN/C(/N)=N/[H]"	"?"	"InChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)"	"RONFGUROBZGJKP-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"13539-59-8"	"DTXSID6045408"	"Azapropazone"	"EPA_DSSTox"	"CN(C)C1=NC2=CC=C(C)C=C2N2C(=O)C(CCC)C(=O)N21"	"?"	"InChI=1S/C16H20N4O2/c1-5-6-11-14(21)19-13-9-10(2)7-8-12(13)17-16(18(3)4)20(19)15(11)22/h7-9,11H,5-6H2,1-4H3"	"MPHPHYZQRGLTBO-UHFFFAOYSA-N"	FALSE	FALSE	1800	3	4
"13547-70-1"	"DTXSID8027749"	"1-Chloro-3,3-dimethyl-butan-2-one"	"EPA_DSSTox"	"CC(C)(C)C(=O)CCl"	"?"	"InChI=1S/C6H11ClO/c1-6(2,3)5(8)4-7/h4H2,1-3H3"	"ULSAJQMHTGKPIY-UHFFFAOYSA-N"	FALSE	FALSE	550	3	4
"13551-87-6"	NA	NA	"Public_CrossChecked"	"COCC(O)CN1C=CN=C1[N+]([O-])=O"	"?"	"InChI=1S/C7H11N3O4/c1-14-5-6(11)4-9-3-2-8-7(9)10(12)13/h2-3,6,11H,4-5H2,1H3"	"OBBCSXFCDPPXOL-UHFFFAOYSA-N"	FALSE	TRUE	2131	3	5
"13551-92-3"	"DTXSID50875669"	"3-(2-NITROIMIDAZOL-1-YL)-1,2-PROPANEDIOL"	"EPA_DSSTox"	"[O-][N+](=O)C1=NC=CN1CC(O)CO"	"?"	"InChI=1S/C6H9N3O4/c10-4-5(11)3-8-2-1-7-6(8)9(12)13/h1-2,5,10-11H,3-4H2"	"NUGLIYXAARVRPQ-UHFFFAOYSA-N"	FALSE	TRUE	5076	4	5
"13560-89-9"	"DTXSID7027750"	"1,4:7,10-Dimethanodibenzo[a,e]cyclooctene, 1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-"	"EPA_DSSTox"	"ClC1(Cl)C2(Cl)C3CCC4C(CCC3C1(Cl)C(Cl)=C2Cl)C1(Cl)C(Cl)=C(Cl)C4(Cl)C1(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"	FALSE	TRUE	25000	4	5
"1356964-77-6"	"DTXSID40889295"	"9-Decenamide, N,N-dimethyl-"	"EPA_DSSTox"	"CN(C)C(=O)CCCCCCCC=C"	"?"	"InChI=1S/C12H23NO/c1-4-5-6-7-8-9-10-11-12(14)13(2)3/h4H,1,5-11H2,2-3H3"	"TZTFSSQVWNZQQA-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"13577-46-3"	"DTXSID70159514"	"1,8-Naphthalenedicarboxylic acid, 4-chloro-"	"EPA_DSSTox"	"OC(=O)C1=CC=CC2C(Cl)=CC=C(C=21)C(O)=O"	"?"	"InChI=1S/C12H7ClO4/c13-9-5-4-8(12(16)17)10-6(9)2-1-3-7(10)11(14)15/h1-5H,(H,14,15)(H,16,17)"	"OESMXMMJMGTCAJ-UHFFFAOYSA-N"	FALSE	TRUE	3500	3	5
"135810-26-3"	NA	NA	"Public_CrossChecked"	"N#CN=c1cccc[n]1CC1C=CC=CC=1Cl"	"?"	"InChI=1S/C13H10ClN3/c14-12-6-2-1-5-11(12)9-17-8-4-3-7-13(17)16-10-15/h1-8H,9H2"	"HPUGHEMIKXEBDN-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"135838-07-2"	NA	NA	"Public_CrossChecked"	"N#CN=c1cccc[n]1CC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C13H10ClN3/c14-12-6-4-11(5-7-12)9-17-8-2-1-3-13(17)16-10-15/h1-8H,9H2"	"XJCDFOUSUSEHOK-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"13589-15-6"	"DTXSID60159588"	"Carbamic acid, (2-chloroethyl)nitroso-, methyl ester"	"EPA_DSSTox"	"COC(=O)N(CCCl)N=O"	"?"	"InChI=1S/C4H7ClN2O3/c1-10-4(8)7(6-9)3-2-5/h2-3H2,1H3"	"ZIVWROYTZSSKDC-UHFFFAOYSA-N"	TRUE	FALSE	20	1	2
"13593-03-8"	"DTXSID7024291"	"Quinalphos"	"EPA_DSSTox"	"CCOP(=S)(OC1=CN=C2C=CC=CC2=N1)OCC"	"?"	"InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3"	"JYQUHIFYBATCCY-UHFFFAOYSA-N"	TRUE	FALSE	26	1	2
"135991-95-6"	NA	NA	"Public_CrossChecked"	"C1CCC2NCCN3C2=C1C1=CC(=CC=C31)C1CCCCC1"	"?"	"InChI=1S/C20H26N2/c1-2-5-14(6-3-1)15-9-10-19-17(13-15)16-7-4-8-18-20(16)22(19)12-11-21-18/h9-10,13-14,18,21H,1-8,11-12H2"	"AUXCHYJDVJZEPG-UHFFFAOYSA-N"	FALSE	TRUE	3072	3	5
"136-25-4"	"DTXSID3037543"	"Erbon"	"EPA_DSSTox"	"CC(Cl)(Cl)C(=O)OCCOC1=CC(Cl)=C(Cl)C=C1Cl"	"?"	"InChI=1S/C11H9Cl5O3/c1-11(15,16)10(17)19-3-2-18-9-5-7(13)6(12)4-8(9)14/h4-5H,2-3H2,1H3"	"KMHZPJNVPCAUMN-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"136-32-3"	"DTXSID7041336"	"2,4,5-Trichlorophenol sodium salt"	"EPA_DSSTox"	"OC1=CC(Cl)=C(Cl)C=C1Cl"	"[Na+]"	"InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H"	"LHJGJYXLEPZJPM-UHFFFAOYSA-N"	FALSE	FALSE	1620	3	4
"136-36-7"	"DTXSID1038878"	"Resorcinol monobenzoate"	"EPA_DSSTox"	"OC1=CC(=CC=C1)OC(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C13H10O3/c14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h1-9,14H"	"GDESWOTWNNGOMW-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"136-40-3"	"DTXSID1021118"	"Phenazopyridine hydrochloride"	"EPA_DSSTox"	"NC1N=C(N)C=CC=1N=NC1C=CC=CC=1"	"Cl"	"InChI=1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)"	"QPFYXYFORQJZEC-UHFFFAOYSA-N"	FALSE	FALSE	472	2	4
"136-45-8"	"DTXSID8032544"	"Dipropyl 2,5-pyridinedicarboxylate"	"EPA_DSSTox"	"CCCOC(=O)C1=CN=C(C=C1)C(=O)OCCC"	"?"	"InChI=1S/C13H17NO4/c1-3-7-17-12(15)10-5-6-11(14-9-10)13(16)18-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3"	"IITCWRFYJWUUPC-UHFFFAOYSA-N"	FALSE	TRUE	5230	4	5
"136-60-7"	"DTXSID8040694"	"Butyl benzoate"	"EPA_DSSTox"	"CCCCOC(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3"	"XSIFPSYPOVKYCO-UHFFFAOYSA-N"	FALSE	FALSE	735	3	4
"136-69-6"	NA	NA	"Public_CrossChecked"	"CC(CC1=CC2OCOC=2C=C1)NCC(O)C1C=CC(O)=C(O)C=1"	"Cl"	"InChI=1S/C18H21NO5/c1-11(6-12-2-5-17-18(7-12)24-10-23-17)19-9-16(22)13-3-4-14(20)15(21)8-13/h2-5,7-8,11,16,19-22H,6,9-10H2,1H3"	"LUMAEVHDZXIGEP-UHFFFAOYSA-N"	FALSE	FALSE	865	3	4
"136-77-6"	"DTXSID1020699"	"4-Hexylresorcinol"	"EPA_DSSTox"	"CCCCCCC1C=CC(O)=CC=1O"	"?"	"InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3"	"WFJIVOKAWHGMBH-UHFFFAOYSA-N"	FALSE	FALSE	550	3	4
"136-80-1"	"DTXSID5059664"	"Ethanol, 2-[(2-methylphenyl)amino]-"	"EPA_DSSTox"	"CC1C=CC=CC=1NCCO"	"?"	"InChI=1S/C9H13NO/c1-8-4-2-3-5-9(8)10-6-7-11/h2-5,10-11H,6-7H2,1H3"	"DHZZPKMVVSTYLF-UHFFFAOYSA-N"	FALSE	TRUE	2200	3	5
"136-81-2"	"DTXSID0059665"	"Phenol, 2-pentyl-"	"EPA_DSSTox"	"CCCCCC1C=CC=CC=1O"	"?"	"InChI=1S/C11H16O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h5-6,8-9,12H,2-4,7H2,1H3"	"MEEKGULDSDXFCN-UHFFFAOYSA-N"	FALSE	FALSE	700	3	4
"136087-85-9"	"DTXSID4046654"	"Fidarestat"	"EPA_DSSTox"	"NC(=O)C1CC2(NC(=O)NC2=O)C2=CC(F)=CC=C2O1"	"?"	"InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)"	"WAAPEIZFCHNLKK-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"13609-67-1"	"DTXSID4045896"	"Hydrocortisone 17-butyrate"	"EPA_DSSTox"	"CCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)C(=O)CO"	"?"	"InChI=1S/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3"	"BMCQMVFGOVHVNG-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"13613-99-5"	"DTXSID50159673"	"Carbamic acid, (4-(((methylamino)carbonyl)oxy)-2-(1-methylethyl)phenyl)-, methyl ester (9CI)"	"EPA_DSSTox"	"COC(=O)NC1C=CC(=CC=1C(C)C)OC(=O)NC"	"?"	"InChI=1S/C13H18N2O4/c1-8(2)10-7-9(19-12(16)14-3)5-6-11(10)15-13(17)18-4/h5-8H,1-4H3,(H,14,16)(H,15,17)"	"WGJLFLRXAJFNTC-UHFFFAOYSA-N"	TRUE	FALSE	27	1	2
"13641-96-8"	"DTXSID2075184"	"2-Propenoic acid, 2-isocyanatoethyl ester"	"EPA_DSSTox"	"C=CC(=O)OCCN=C=O"	"?"	"InChI=1S/C6H7NO3/c1-2-6(9)10-4-3-7-5-8/h2H,1,3-4H2"	"DPNXHTDWGGVXID-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"13647-35-3"	"DTXSID9023706"	"Trilostane"	"EPA_DSSTox"	"CC12CC(C#N)=C(O)C3OC13CCC1C2CCC2(C)C1CCC2O"	"?"	"InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-15,17,22-23H,3-9H2,1-2H3"	"KVJXBPDAXMEYOA-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"13654-09-6"	"DTXSID9065572"	"1,1'-Biphenyl, 2,2',3,3',4,4',5,5',6,6'-decabromo-"	"EPA_DSSTox"	"BrC1C(C2=C(Br)C(Br)=C(Br)C(Br)=C2Br)=C(Br)C(Br)=C(Br)C=1Br"	"?"	"InChI=1S/C12Br10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16"	"AQPHBYQUCKHJLT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"136572-09-3"	NA	NA	"Public_CrossChecked"	"CCC1C2C=C(C=CC=2N=C2c3cc4c(COC(=O)C4(O)CC)c(=O)[n]3CC2=1)OC(=O)N1CCC(CC1)N1CCCCC1"	"?"	"InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3"	"UWKQSNNFCGGAFS-UHFFFAOYSA-N"	FALSE	FALSE	867	3	4
"136687-74-6"	NA	NA	"Public_CrossChecked"	"OC(=O)C1C=CC=CC=1N1C(C(Cl)C1=O)C1C=CC=CC=1"	"?"	"InChI=1S/C16H12ClNO3/c17-13-14(10-6-2-1-3-7-10)18(15(13)19)12-9-5-4-8-11(12)16(20)21/h1-9,13-14H,(H,20,21)"	"CBNAJBCPYRKNIN-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"13674-87-8"	"DTXSID9026261"	"TDCPP"	"EPA_DSSTox"	"O=P(OC(CCl)CCl)(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"	FALSE	FALSE	1850	3	4
"13676-54-5"	"DTXSID8044381"	"Bismaleimide"	"EPA_DSSTox"	"O=C1C=CC(=O)N1C1C=CC(CC2C=CC(=CC=2)N2C(=O)C=CC2=O)=CC=1"	"?"	"InChI=1S/C21H14N2O4/c24-18-9-10-19(25)22(18)16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-20(26)11-12-21(23)27/h1-12H,13H2"	"XQUPVDVFXZDTLT-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"13676-91-0"	"DTXSID9065576"	"9,10-Anthracenedione, 1,8-bis(phenylthio)-"	"EPA_DSSTox"	"O=C1C2=CC=CC(SC3C=CC=CC=3)=C2C(=O)C2C(=CC=CC1=2)SC1C=CC=CC=1"	"?"	"InChI=1S/C26H16O2S2/c27-25-19-13-7-15-21(29-17-9-3-1-4-10-17)23(19)26(28)24-20(25)14-8-16-22(24)30-18-11-5-2-6-12-18/h1-16H"	"CNRPDCKHCGUKDK-UHFFFAOYSA-N"	FALSE	NA	NA	3	NA
"13684-56-5"	"DTXSID0034518"	"Desmedipham"	"EPA_DSSTox"	"CCOC(=O)NC1C=CC=C(C=1)OC(=O)NC1C=CC=CC=1"	"?"	"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"	FALSE	TRUE	9600	4	5
"13684-63-4"	"DTXSID1024255"	"Phenmedipham"	"EPA_DSSTox"	"CC1C=C(C=CC=1)NC(=O)OC1=CC(=CC=C1)NC(=O)OC"	"?"	"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"	FALSE	TRUE	4000	3	5
"13687-28-0"	"DTXSID20159988"	"Carbamic acid, methyl-, 7-methylbenzo(b)thien-4-yl ester"	"EPA_DSSTox"	"CC1=CC=C(OC(=O)NC)C2C=CSC1=2"	"?"	"InChI=1S/C11H11NO2S/c1-7-3-4-9(14-11(13)12-2)8-5-6-15-10(7)8/h3-6H,1-2H3,(H,12,13)"	"DQGSHBBIHDXYSZ-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"137-03-1"	"DTXSID8044547"	"2-Heptylcyclopentanone"	"EPA_DSSTox"	"CCCCCCCC1CCCC1=O"	"?"	"InChI=1S/C12H22O/c1-2-3-4-5-6-8-11-9-7-10-12(11)13/h11H,2-10H2,1H3"	"PJXHBTZLHITWFX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"137-05-3"	"DTXSID4025589"	"Methyl 2-cyanoacrylate"	"EPA_DSSTox"	"COC(=O)C(=C)C#N"	"?"	"InChI=1S/C5H5NO2/c1-4(3-6)5(7)8-2/h1H2,2H3"	"MWCLLHOVUTZFKS-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"137-09-7"	"DTXSID9020401"	"2,4-Diaminophenol dihydrochloride"	"EPA_DSSTox"	"NC1=CC(N)=C(O)C=C1"	"Cl.Cl"	"InChI=1S/C6H8N2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,7-8H2"	"XIWMTQIUUWJNRP-UHFFFAOYSA-N"	FALSE	FALSE	240	2	3
"137-17-7"	"DTXSID9021398"	"2,4,5-Trimethylaniline"	"EPA_DSSTox"	"CC1C=C(C)C(C)=CC=1N"	"?"	"InChI=1S/C9H13N/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,10H2,1-3H3"	"BMIPMKQAAJKBKP-UHFFFAOYSA-N"	FALSE	FALSE	1250	3	4
"137-20-2"	"DTXSID5027067"	"Sodium N-methyl-N-oleoyltaurate"	"EPA_DSSTox"	"CCCCCCCCC=CCCCCCCCC(=O)N(C)CCS(O)(=O)=O"	"[Na+]"	"InChI=1S/C21H41NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22(2)19-20-27(24,25)26/h10-11H,3-9,12-20H2,1-2H3,(H,24,25,26)"	"GXJQMKFJQFGQKV-UHFFFAOYSA-N"	FALSE	FALSE	1700	3	4
"137-26-8"	"DTXSID5021332"	"Thiram"	"EPA_DSSTox"	"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"	FALSE	FALSE	560	3	4
"137-42-8"	"DTXSID2029167"	"Metam-sodium"	"EPA_DSSTox"	"CNC(S)=S"	"[Na+]"	"InChI=1S/C2H5NS2/c1-3-2(4)5/h1H3,(H2,3,4,5)"	"HYVVJDQGXFXBRZ-UHFFFAOYSA-N"	FALSE	FALSE	615	3	4
"137-58-6"	"DTXSID1045166"	"Lidocaine"	"EPA_DSSTox"	"CC1C=CC=C(C)C=1NC(=O)CN(CC)CC"	"?"	"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"	FALSE	FALSE	317	2	4
"137-66-6"	"DTXSID3041611"	"Ascorbyl palmitate"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(O)=C1O"	"?"	"InChI=1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,21,23,25-26H,2-16H2,1H3"	"QAQJMLQRFWZOBN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"13706-86-0"	"DTXSID7049215"	"5-Methyl-2,3-hexanedione"	"EPA_DSSTox"	"CC(=O)C(=O)CC(C)C"	"?"	"InChI=1S/C7H12O2/c1-5(2)4-7(9)6(3)8/h5H,4H2,1-3H3"	"PQCLJXVUAWLNSV-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"13710-19-5"	"DTXSID1045409"	"Tolfenamic acid"	"EPA_DSSTox"	"CC1=C(Cl)C=CC=C1NC1C=CC=CC=1C(O)=O"	"?"	"InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)"	"YEZNLOUZAIOMLT-UHFFFAOYSA-N"	FALSE	FALSE	225	2	3
"13717-04-9"	NA	NA	"Public_CrossChecked"	"CCC(=O)N(C(C)CN1CCCCC1)C1C=CC=CN=1"	"C(=C/C(=O)O)\C(=O)O"	"InChI=1S/C16H25N3O/c1-3-16(20)19(15-9-5-6-10-17-15)14(2)13-18-11-7-4-8-12-18/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3"	"ZBAFFZBKCMWUHM-UHFFFAOYSA-N"	FALSE	FALSE	1289	3	4
"137281-39-1"	"DTXSID80430861"	"4-[2-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid"	"EPA_DSSTox"	"NC1NC2NC=C(CCC3C=CC(=CC=3)C(O)=O)C=2C(=O)N=1"	"?"	"InChI=1S/C15H14N4O3/c16-15-18-12-11(13(20)19-15)10(7-17-12)6-3-8-1-4-9(5-2-8)14(21)22/h1-2,4-5,7H,3,6H2,(H,21,22)(H4,16,17,18,19,20)"	"AIZPFZIKHIJCQX-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"13730-09-1"	"DTXSID80160131"	"Benzonitrile, 2,5-dimethyl-"	"EPA_DSSTox"	"CC1=CC(C#N)=C(C)C=C1"	"?"	"InChI=1S/C9H9N/c1-7-3-4-8(2)9(5-7)6-10/h3-5H,1-2H3"	"OZOQTENKIVKILK-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"13730-98-8"	"DTXSID1075010"	"Sodium 4-chlorophenoxyacetate"	"EPA_DSSTox"	"OC(=O)COC1C=CC(Cl)=CC=1"	"[Na+]"	"InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)"	"SODPIMGUZLOIPE-UHFFFAOYSA-N"	FALSE	TRUE	3735	3	5
"13738-63-1"	"DTXSID5041984"	"Fluoronitrofen"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC(=CC=1)OC1=C(F)C=C(Cl)C=C1Cl"	"?"	"InChI=1S/C12H6Cl2FNO3/c13-7-5-10(14)12(11(15)6-7)19-9-3-1-8(2-4-9)16(17)18/h1-6H"	"MVHWKYHDYCGNQN-UHFFFAOYSA-N"	FALSE	TRUE	2890	3	5
"13740-38-0"	NA	NA	"Public_CrossChecked"	"CC1C=C(Cl)C=CC=1OC(C)C(=O)NC1C=CC=CC=1"	"?"	"InChI=1S/C16H16ClNO2/c1-11-10-13(17)8-9-15(11)20-12(2)16(19)18-14-6-4-3-5-7-14/h3-10,12H,1-2H3,(H,18,19)"	"QPWNBJYOBTUXBH-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"13749-61-6"	"DTXSID50160204"	"N-Isopropylmethacrylamide"	"EPA_DSSTox"	"CC(=C)C(=O)NC(C)C"	"?"	"InChI=1S/C7H13NO/c1-5(2)7(9)8-6(3)4/h6H,1H2,2-4H3,(H,8,9)"	"YQIGLEFUZMIVHU-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"13749-94-5"	"DTXSID7027754"	"Ethanimidothioic acid, N-hydroxy-, methyl ester"	"EPA_DSSTox"	"CSC(C)N=O"	"?"	"InChI=1S/C3H7NOS/c1-3(4-5)6-2/h3H,1-2H3"	"ZXSFKTYTKYOPDU-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"13750-62-4"	"DTXSID4065604"	"1H-Imidazole, 2-methyl-1-(phenylmethyl)-"	"EPA_DSSTox"	"CC1=NC=CN1CC1C=CC=CC=1"	"?"	"InChI=1S/C11H12N2/c1-10-12-7-8-13(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3"	"FBHPRUXJQNWTEW-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"137521-48-3"	NA	NA	"Public_CrossChecked"	"CC(=O)C(N=NC1C=C(C)C=CC=1)C(=O)NC"	"?"	"InChI=1S/C12H15N3O2/c1-8-5-4-6-10(7-8)14-15-11(9(2)16)12(17)13-3/h4-7,11H,1-3H3,(H,13,17)"	"CMTKGVYELPLDTB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"137521-49-4"	NA	NA	"Public_CrossChecked"	"CC(=O)C(N=NC1C=CC(C)=CC=1)C(=O)NC"	"?"	"InChI=1S/C12H15N3O2/c1-8-4-6-10(7-5-8)14-15-11(9(2)16)12(17)13-3/h4-7,11H,1-3H3,(H,13,17)"	"WMTZWMKFDCHDTG-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"137521-50-7"	NA	NA	"Public_CrossChecked"	"CC(=O)C(N=NC1C=CC(=CC=1)OC)C(=O)NC"	"?"	"InChI=1S/C12H15N3O3/c1-8(16)11(12(17)13-2)15-14-9-4-6-10(18-3)7-5-9/h4-7,11H,1-3H3,(H,13,17)"	"DDIBBFYXHVWJON-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"137521-52-9"	NA	NA	"Public_CrossChecked"	"CC(=O)C(N=NC1C=C(Cl)C=CC=1)C(=O)NC"	"?"	"InChI=1S/C11H12ClN3O2/c1-7(16)10(11(17)13-2)15-14-9-5-3-4-8(12)6-9/h3-6,10H,1-2H3,(H,13,17)"	"QNSHSFVOPAVQFY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"137521-53-0"	NA	NA	"Public_CrossChecked"	"CC(=O)C(N=NC1C=CC(Cl)=CC=1)C(=O)NC"	"?"	"InChI=1S/C11H12ClN3O2/c1-7(16)10(11(17)13-2)15-14-9-5-3-8(12)4-6-9/h3-6,10H,1-2H3,(H,13,17)"	"QJKHZLKQXKWLLB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"137521-54-1"	NA	NA	"Public_CrossChecked"	"CC(=O)C(N=NC1=CC=CC(Cl)=C1Cl)C(=O)NC"	"?"	"InChI=1S/C11H11Cl2N3O2/c1-6(17)10(11(18)14-2)16-15-8-5-3-4-7(12)9(8)13/h3-5,10H,1-2H3,(H,14,18)"	"IQNMWRLGDSOWEH-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"137521-56-3"	NA	NA	"Public_CrossChecked"	"CC(=O)C(N=NC1=CC=C(Cl)C=C1[N+]([O-])=O)C(=O)NC"	"?"	"InChI=1S/C11H11ClN4O4/c1-6(17)10(11(18)13-2)15-14-8-4-3-7(12)5-9(8)16(19)20/h3-5,10H,1-2H3,(H,13,18)"	"CKLDMRGTGIHKKI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"137521-57-4"	NA	NA	"Public_CrossChecked"	"CC(=O)C(N=NC1C=CC=CC=1[N+]([O-])=O)C(=O)NC"	"?"	"InChI=1S/C11H12N4O4/c1-7(16)10(11(17)12-2)14-13-8-5-3-4-6-9(8)15(18)19/h3-6,10H,1-2H3,(H,12,17)"	"RLALZDVLNAXLCH-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"137521-58-5"	NA	NA	"Public_CrossChecked"	"CC(=O)C(N=NC1C=CC(=CC=1)[N+]([O-])=O)C(=O)NC"	"?"	"InChI=1S/C11H12N4O4/c1-7(16)10(11(17)12-2)14-13-8-3-5-9(6-4-8)15(18)19/h3-6,10H,1-2H3,(H,12,17)"	"FUTOPJMNSVXGFZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"137521-60-9"	NA	NA	"Public_CrossChecked"	"CC(=O)C(N=NC1=CC=C(C=C1OC)[N+]([O-])=O)C(=O)NC"	"?"	"InChI=1S/C12H14N4O5/c1-7(17)11(12(18)13-2)15-14-9-5-4-8(16(19)20)6-10(9)21-3/h4-6,11H,1-3H3,(H,13,18)"	"FLGMIUFCWUUUGT-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"137521-61-0"	NA	NA	"Public_CrossChecked"	"CC(=O)C(N=NC1=CC(=CC=C1OC)[N+]([O-])=O)C(=O)NC"	"?"	"InChI=1S/C12H14N4O5/c1-7(17)11(12(18)13-2)15-14-9-6-8(16(19)20)4-5-10(9)21-3/h4-6,11H,1-3H3,(H,13,18)"	"FYSMHYHPVLDRIE-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"13764-49-3"	"DTXSID00160254"	"Etorphine hydrochloride"	"EPA_DSSTox"	"CC(O)(CCC)C1CC23C=CC1(OC)C1OC4=C(O)C=CC5CC2N(C)CCC31C=54"	"Cl"	"InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3"	"CAHCBJPUTCKATP-UHFFFAOYSA-N"	FALSE	FALSE	72	2	3
"137658-79-8"	"DTXSID50888638"	"Phenol, 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-[3-[(2-ethylhexyl)oxy]-2-hydroxypropoxy]-"	"EPA_DSSTox"	"CCC(COCC(O)COC1=CC(O)=C(C=C1)C1N=C(N=C(N=1)C1=CC=C(C)C=C1C)C1=CC=C(C)C=C1C)CCCC"	"?"	"InChI=1S/C36H45N3O4/c1-7-9-10-27(8-2)20-42-21-28(40)22-43-29-13-16-32(33(41)19-29)36-38-34(30-14-11-23(3)17-25(30)5)37-35(39-36)31-15-12-24(4)18-26(31)6/h11-19,27-28,40-41H,7-10,20-22H2,1-6H3"	"WYLMGXULBMHUDT-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"137863-20-8"	"DTXSID70160342"	"Valsartan benzyl ester"	"EPA_DSSTox"	"CC(C)C(C(=O)OCC1C=CC=CC=1)N(CC1C=CC(=CC=1)C1C=CC=CC=1C1=NNN=N1)C(=O)CCCC"	"?"	"InChI=1S/C31H35N5O3/c1-4-5-15-28(37)36(29(22(2)3)31(38)39-21-24-11-7-6-8-12-24)20-23-16-18-25(19-17-23)26-13-9-10-14-27(26)30-32-34-35-33-30/h6-14,16-19,22,29H,4-5,15,20-21H2,1-3H3,(H,32,33,34,35)"	"VXKKFWDUSKMRNO-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"13792-20-6"	"DTXSID40160394"	"Carbamic acid, methyl-, ester with p-hydroxyhydrocinnamonitrile"	"EPA_DSSTox"	"CNC(=O)OC1=CC=C(CCC#N)C=C1"	"?"	"InChI=1S/C11H12N2O2/c1-13-11(14)15-10-6-4-9(5-7-10)3-2-8-12/h4-7H,2-3H2,1H3,(H,13,14)"	"NEBGLASHEJDBJB-UHFFFAOYSA-N"	FALSE	FALSE	620	3	4
"13792-21-7"	"DTXSID00160395"	"Carbamic acid, methyl-, 1,4-benzodioxan-5-yl ester"	"EPA_DSSTox"	"CNC(=O)OC1=CC=CC2OCCOC=21"	"?"	"InChI=1S/C10H11NO4/c1-11-10(12)15-8-4-2-3-7-9(8)14-6-5-13-7/h2-4H,5-6H2,1H3,(H,11,12)"	"XOVFOHFSGVFTPY-UHFFFAOYSA-N"	FALSE	FALSE	126	2	3
"13792-24-0"	"DTXSID60160396"	"Carbamic acid, methyl-, ester with (p-hydroxyphenyl)acetonitrile"	"EPA_DSSTox"	"CNC(=O)OC1C=CC(CC#N)=CC=1"	"?"	"InChI=1S/C10H10N2O2/c1-12-10(13)14-9-4-2-8(3-5-9)6-7-11/h2-5H,6H2,1H3,(H,12,13)"	"FNEGSGBSEOKQPB-UHFFFAOYSA-N"	FALSE	FALSE	511	3	4
"137927-72-1"	"DTXSID80160398"	"Acetic acid, ((6-(4-methylphenoxy)-4-pyrimidinyl)thio)-, hydrazide"	"EPA_DSSTox"	"CC1C=CC(=CC=1)OC1=CC(=NC=N1)SCC(=O)NN"	"?"	"InChI=1S/C13H14N4O2S/c1-9-2-4-10(5-3-9)19-12-6-13(16-8-15-12)20-7-11(18)17-14/h2-6,8H,7,14H2,1H3,(H,17,18)"	"SUNRHUDZKNDCJJ-UHFFFAOYSA-N"	FALSE	FALSE	460	2	4
"137927-75-4"	"DTXSID50160401"	"Acetic acid, ((6-(4-chlorophenoxy)-4-pyrimidinyl)thio)-, hydrazide"	"EPA_DSSTox"	"NNC(=O)CSC1=CC(=NC=N1)OC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C12H11ClN4O2S/c13-8-1-3-9(4-2-8)19-11-5-12(16-7-15-11)20-6-10(18)17-14/h1-5,7H,6,14H2,(H,17,18)"	"WRMHKXIWDZVDJX-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"137927-76-5"	"DTXSID10160402"	"Acetic acid, ((6-(4-methylphenoxy)-4-pyrimidinyl)thio)-, (1-methylethylidene)hydrazide"	"EPA_DSSTox"	"CC(C)=NNC(=O)CSC1C=C(N=CN=1)OC1C=CC(C)=CC=1"	"?"	"InChI=1S/C16H18N4O2S/c1-11(2)19-20-14(21)9-23-16-8-15(17-10-18-16)22-13-6-4-12(3)5-7-13/h4-8,10H,9H2,1-3H3,(H,20,21)"	"WGLBGCUPVKRJDW-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"137927-77-6"	"DTXSID70160403"	"Acetic acid, ((6-phenoxy-4-pyrimidinyl)thio)-, (1-methylethylidene)hydrazide"	"EPA_DSSTox"	"CC(C)=NNC(=O)CSC1C=C(N=CN=1)OC1C=CC=CC=1"	"?"	"InChI=1S/C15H16N4O2S/c1-11(2)18-19-13(20)9-22-15-8-14(16-10-17-15)21-12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3,(H,19,20)"	"QTPCYIARPDKHQU-UHFFFAOYSA-N"	FALSE	FALSE	1075	3	4
"137927-78-7"	"DTXSID30160404"	"Acetic acid, ((6-(4-fluorophenoxy)-4-pyrimidinyl)thio)-, (1-methylethylidene)hydrazide"	"EPA_DSSTox"	"CC(C)=NNC(=O)CSC1C=C(N=CN=1)OC1C=CC(F)=CC=1"	"?"	"InChI=1S/C15H15FN4O2S/c1-10(2)19-20-13(21)8-23-15-7-14(17-9-18-15)22-12-5-3-11(16)4-6-12/h3-7,9H,8H2,1-2H3,(H,20,21)"	"IJDPVAIJEKZOCY-UHFFFAOYSA-N"	FALSE	FALSE	380	2	4
"138-22-7"	"DTXSID7042196"	"Butyl lactate"	"EPA_DSSTox"	"CCCCOC(=O)C(C)O"	"?"	"InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3"	"MRABAEUHTLLEML-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"138-59-0"	"DTXSID4032039"	"Shikimic acid"	"EPA_DSSTox"	"OC(=O)C1CC(O)C(O)C(O)C=1"	"?"	"InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)"	"JXOHGGNKMLTUBP-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"138-86-3"	"DTXSID2029612"	"Limonene"	"EPA_DSSTox"	"CC1CCC(CC=1)C(C)=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"	FALSE	TRUE	5001	4	5
"13808-36-1"	"DTXSID70160463"	"Propanamide, N-(5-chloro-2-thiazolyl)- (9CI)"	"EPA_DSSTox"	"CCC(=O)NC1=NC=C(Cl)S1"	"?"	"InChI=1S/C6H7ClN2OS/c1-2-5(10)9-6-8-3-4(7)11-6/h3H,2H2,1H3,(H,8,9,10)"	"XMEIPRIOGBNKAJ-UHFFFAOYSA-N"	FALSE	FALSE	316	2	4
"138113-08-3"	"DTXSID90460472"	"7-Methoxy-1-naphthylacetonitrile"	"EPA_DSSTox"	"COC1C=C2C(CC#N)=CC=CC2=CC=1"	"?"	"InChI=1S/C13H11NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h2-6,9H,7H2,1H3"	"PYJMGUQHJINLLD-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"138117-50-7"	"DTXSID00160496"	"Leteprinim"	"EPA_DSSTox"	"OC(=O)C1=CC=C(C=C1)NC(=O)CCN1C=NC2=C1NC=NC2=O"	"?"	"InChI=1S/C15H13N5O4/c21-11(19-10-3-1-9(2-4-10)15(23)24)5-6-20-8-18-12-13(20)16-7-17-14(12)22/h1-4,7-8H,5-6H2,(H,19,21)(H,23,24)(H,16,17,22)"	"JMPOIZCOJJMTHI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"13816-33-6"	"DTXSID6047440"	"4-Isopropylbenzonitrile"	"EPA_DSSTox"	"CC(C)C1C=CC(=CC=1)C#N"	"?"	"InChI=1S/C10H11N/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,1-2H3"	"YFDJCWXBKWRDPW-UHFFFAOYSA-N"	FALSE	TRUE	3900	3	5
"13826-35-2"	"DTXSID7027756"	"3-Phenoxybenzenemethanol"	"EPA_DSSTox"	"OCC1C=C(C=CC=1)OC1C=CC=CC=1"	"?"	"InChI=1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2"	"KGANAERDZBAECK-UHFFFAOYSA-N"	FALSE	FALSE	1496	3	4
"13838-02-3"	NA	NA	"Public_CrossChecked"	"CC(=O)OC(C1C=CC=CC=1)C(=O)NC(N)=O"	"?"	"InChI=1S/C11H12N2O4/c1-7(14)17-9(10(15)13-11(12)16)8-5-3-2-4-6-8/h2-6,9H,1H3,(H3,12,13,15,16)"	"MDVVMENOOOZBJG-UHFFFAOYSA-N"	FALSE	TRUE	2100	3	5
"13838-16-9"	"DTXSID1020562"	"Enflurane"	"EPA_DSSTox"	"FC(F)OC(F)(F)C(F)Cl"	"?"	"InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H"	"JPGQOUSTVILISH-UHFFFAOYSA-N"	FALSE	TRUE	5450	4	5
"138401-24-8"	"DTXSID20431716"	"4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl][1,1'-biphenyl]-2-carbonitrile"	"EPA_DSSTox"	"CCCCC1=NC2(CCCC2)C(=O)N1CC1C=CC(=CC=1)C1=CC=CC=C1C#N"	"?"	"InChI=1S/C25H27N3O/c1-2-3-10-23-27-25(15-6-7-16-25)24(29)28(23)18-19-11-13-20(14-12-19)22-9-5-4-8-21(22)17-26/h4-5,8-9,11-14H,2-3,6-7,10,15-16,18H2,1H3"	"KWEQEHOPDHARIA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"13860-69-0"	"DTXSID70160726"	"N-Nitroso-N-methylbiuret"	"EPA_DSSTox"	"CN(N=O)C(=O)NC(N)=O"	"?"	"InChI=1S/C3H6N4O3/c1-7(6-10)3(9)5-2(4)8/h1H3,(H3,4,5,8,9)"	"YBODEWRZWWTHPL-UHFFFAOYSA-N"	FALSE	FALSE	450	2	4
"13863-31-5"	"DTXSID2027757"	"Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(2-hydroxyethyl)methylamino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt"	"EPA_DSSTox"	"CN(CCO)C1=NC(NC2C=C(C(C=CC3C=CC(=CC=3S(O)(=O)=O)NC3N=C(N=C(NC4C=CC=CC=4)N=3)N(C)CCO)=CC=2)S(O)(=O)=O)=NC(NC2C=CC=CC=2)=N1"	"[Na+].[Na+]"	"InChI=1S/C38H40N12O8S2/c1-49(19-21-51)37-45-33(39-27-9-5-3-6-10-27)43-35(47-37)41-29-17-15-25(31(23-29)59(53,54)55)13-14-26-16-18-30(24-32(26)60(56,57)58)42-36-44-34(40-28-11-7-4-8-12-28)46-38(48-36)50(2)20-22-52/h3-18,23-24,51-52H,19-22H2,1-2H3,(H,53,54,55)(H,56,57,58)(H2,39,41,43,45,47)(H2,40,42,44,46,48)"	"WNUUEQSIAHJIGU-UHFFFAOYSA-N"	FALSE	TRUE	6887	4	5
"13877-99-1"	"DTXSID80160777"	"Minepentate"	"EPA_DSSTox"	"CN(C)CCOCCOC(=O)C1(CCCC1)C1C=CC=CC=1"	"?"	"InChI=1S/C18H27NO3/c1-19(2)12-13-21-14-15-22-17(20)18(10-6-7-11-18)16-8-4-3-5-9-16/h3-5,8-9H,6-7,10-15H2,1-2H3"	"XZUULFZXNSIACY-UHFFFAOYSA-N"	FALSE	FALSE	1270	3	4
"138786-67-1"	"DTXSID7044215"	"Pantoprazole sodium"	"EPA_DSSTox"	"COC1C(CS(=O)C2NC3C=C(C=CC=3N=2)OC(F)F)=NC=CC=1OC"	"[Na+]"	"InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)"	"IQPSEEYGBUAQFF-UHFFFAOYSA-N"	FALSE	FALSE	747	3	4
"13884-43-0"	"DTXSID20160812"	"Methacrylic acid, nitrilotriethylene ester"	"EPA_DSSTox"	"CC(=C)C(=O)OCCN(CCOC(=O)C(C)=C)CCOC(=O)C(C)=C"	"?"	"InChI=1S/C18H27NO6/c1-13(2)16(20)23-10-7-19(8-11-24-17(21)14(3)4)9-12-25-18(22)15(5)6/h1,3,5,7-12H2,2,4,6H3"	"VREQORRYSHBFFY-UHFFFAOYSA-N"	FALSE	TRUE	11163	4	5
"13887-56-4"	NA	NA	"Public_CrossChecked"	"OC(COC(=O)N1CCOCC1)C1COC2C=CC=CC=2O1"	"?"	"InChI=1S/C15H19NO6/c17-11(9-21-15(18)16-5-7-19-8-6-16)14-10-20-12-3-1-2-4-13(12)22-14/h1-4,11,14,17H,5-10H2"	"BXAMNJMZOGPUMG-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"13887-57-5"	NA	NA	"Public_CrossChecked"	"CC(C)CNC(=O)OCC(O)C1COC2C=CC=CC=2O1"	"?"	"InChI=1S/C15H21NO5/c1-10(2)7-16-15(18)20-8-11(17)14-9-19-12-5-3-4-6-13(12)21-14/h3-6,10-11,14,17H,7-9H2,1-2H3,(H,16,18)"	"LMWSHNLEYBZEOC-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"13887-58-6"	NA	NA	"Public_CrossChecked"	"CCCCNC(=O)OCC(O)C1COC2C=CC=CC=2O1"	"?"	"InChI=1S/C15H21NO5/c1-2-3-8-16-15(18)20-9-11(17)14-10-19-12-6-4-5-7-13(12)21-14/h4-7,11,14,17H,2-3,8-10H2,1H3,(H,16,18)"	"OSHJUNVBBOHVAI-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"13887-60-0"	NA	NA	"Public_CrossChecked"	"CCCNC(=O)OCC(O)C1COC2C=CC=CC=2O1"	"?"	"InChI=1S/C14H19NO5/c1-2-7-15-14(17)19-8-10(16)13-9-18-11-5-3-4-6-12(11)20-13/h3-6,10,13,16H,2,7-9H2,1H3,(H,15,17)"	"FUTJWOQQAQVKAN-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"13887-61-1"	NA	NA	"Public_CrossChecked"	"OC(COC(=O)NC1CC1)C1COC2C=CC=CC=2O1"	"?"	"InChI=1S/C14H17NO5/c16-10(7-19-14(17)15-9-5-6-9)13-8-18-11-3-1-2-4-12(11)20-13/h1-4,9-10,13,16H,5-8H2,(H,15,17)"	"VCFPGQUWJMMYKA-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"13889-92-4"	"DTXSID8025963"	"S-(Propyl) chlorothioformate"	"EPA_DSSTox"	"CCCSC(=O)Cl"	"?"	"InChI=1S/C4H7ClOS/c1-2-3-7-4(5)6/h2-3H2,1H3"	"FYOPSYJKEHWOBR-UHFFFAOYSA-N"	FALSE	FALSE	1129	3	4
"139-05-9"	"DTXSID6020355"	"Sodium cyclamate"	"EPA_DSSTox"	"OS(=O)(=O)NC1CCCCC1"	"[Na+]"	"InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)"	"HCAJEUSONLESMK-UHFFFAOYSA-N"	FALSE	FALSE	1280	3	4
"139-07-1"	"DTXSID2040787"	"Benzyldimethyldodecylammonium chloride"	"EPA_DSSTox"	"CCCCCCCCCCCC[N+](C)(C)CC1C=CC=CC=1"	"[Cl-]"	"InChI=1S/C21H38N/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21/h13-15,17-18H,4-12,16,19-20H2,1-3H3/q+1"	"CYDRXTMLKJDRQH-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"139-08-2"	"DTXSID6036384"	"Tetradecyldimethylbenzylammonium chloride"	"EPA_DSSTox"	"CCCCCCCCCCCCCC[N+](C)(C)CC1C=CC=CC=1"	"[Cl-]"	"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"	FALSE	FALSE	280.8	2	3
"139-10-6"	NA	NA	"Public_CrossChecked"	"CC(N)CC1C=CC=CC=1"	"OP(=O)(O)O"	"InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3"	"KWTSXDURSIMDCE-UHFFFAOYSA-N"	FALSE	FALSE	302	2	4
"139-13-9"	"DTXSID6020939"	"Nitrilotriacetic acid"	"EPA_DSSTox"	"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"	FALSE	FALSE	1100	3	4
"139-33-3"	"DTXSID9027073"	"Ethylenediaminetetraacetic acid, disodium salt"	"EPA_DSSTox"	"OC(=O)CN(CC(O)=O)CCN(CC(O)=O)CC(O)=O"	"[Na+].[Na+]"	"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"	FALSE	TRUE	2001	3	5
"139-40-2"	"DTXSID3021196"	"Propazine"	"EPA_DSSTox"	"CC(C)NC1=NC(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"	FALSE	TRUE	3840	3	5
"139-45-7"	"DTXSID8051702"	"Tripropionin"	"EPA_DSSTox"	"CCC(=O)OC(COC(=O)CC)COC(=O)CC"	"?"	"InChI=1S/C12H20O6/c1-4-10(13)16-7-9(18-12(15)6-3)8-17-11(14)5-2/h9H,4-8H2,1-3H3"	"YZWRNSARCRTXDS-UHFFFAOYSA-N"	FALSE	TRUE	6400	4	5
"139-60-6"	"DTXSID3051703"	"N,N'-Bis(5-methylheptan-3-yl)benzene-1,4-diamine"	"EPA_DSSTox"	"CC(CC(CC)NC1C=CC(=CC=1)NC(CC(C)CC)CC)CC"	"?"	"InChI=1S/C22H40N2/c1-7-17(5)15-19(9-3)23-21-11-13-22(14-12-21)24-20(10-4)16-18(6)8-2/h11-14,17-20,23-24H,7-10,15-16H2,1-6H3"	"JUHXTONDLXIGGK-UHFFFAOYSA-N"	FALSE	TRUE	2400	3	5
"139-65-1"	"DTXSID9021344"	"4,4'-Thiodianiline"	"EPA_DSSTox"	"NC1C=CC(=CC=1)SC1C=CC(N)=CC=1"	"?"	"InChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2"	"ICNFHJVPAJKPHW-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"139-70-8"	"DTXSID90861804"	"Benzeneacetic acid, 3,7-dimethyl-6-octen-1-yl ester"	"EPA_DSSTox"	"CC(C)=CCCC(C)CCOC(=O)CC1C=CC=CC=1"	"?"	"InChI=1S/C18H26O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-11,16H,7,9,12-14H2,1-3H3"	"CVJBFMVLVJZZMM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"139-87-7"	"DTXSID8041955"	"Ethyl diethanolamine"	"EPA_DSSTox"	"CCN(CCO)CCO"	"?"	"InChI=1S/C6H15NO2/c1-2-7(3-5-8)4-6-9/h8-9H,2-6H2,1H3"	"AKNUHUCEWALCOI-UHFFFAOYSA-N"	FALSE	TRUE	4570	3	5
"139-88-8"	"DTXSID3041530"	"7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt"	"EPA_DSSTox"	"CC(C)CC(CCC(CCCC)CC)OS(O)(=O)=O"	"[Na+]"	"InChI=1S/C14H30O4S/c1-5-7-8-13(6-2)9-10-14(11-12(3)4)18-19(15,16)17/h12-14H,5-11H2,1-4H3,(H,15,16,17)"	"GROJOWHVXQYQGN-UHFFFAOYSA-N"	FALSE	FALSE	1250	3	4
"139-89-9"	"DTXSID9027075"	"Glycine, N-[2-[bis(carboxymethyl)amino]ethyl]-N-(2-hydroxyethyl)-, trisodium salt"	"EPA_DSSTox"	"OCCN(CC(O)=O)CCN(CC(O)=O)CC(O)=O"	"[Na+].[Na+].[Na+]"	"InChI=1S/C10H18N2O7/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19)"	"URDCARMUOSMFFI-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"139-94-6"	"DTXSID1020936"	"Nithiazide"	"EPA_DSSTox"	"CCNC(=O)NC1=NC=C(S1)[N+]([O-])=O"	"?"	"InChI=1S/C6H8N4O3S/c1-2-7-5(11)9-6-8-3-4(14-6)10(12)13/h3H,2H2,1H3,(H2,7,8,9,11)"	"FQSUTLQHSDLLAN-UHFFFAOYSA-N"	FALSE	TRUE	2150	3	5
"139001-49-3"	"DTXSID5057969"	"Profoxydim"	"EPA_DSSTox"	"CC(CON=C(CCC)C1C(=O)CC(CC=1O)C1CSCCC1)OC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C24H32ClNO4S/c1-3-5-21(26-29-14-16(2)30-20-9-7-19(25)8-10-20)24-22(27)12-18(13-23(24)28)17-6-4-11-31-15-17/h7-10,16-18,27H,3-6,11-15H2,1-2H3"	"KRQUFUKTQHISJB-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"13909-13-2"	"DTXSID50876116"	"3(2-NORBORNYL)-1-(2CLET)-1-NO UREA"	"EPA_DSSTox"	"O/C(=N\C1CC2CCC1C2)/N(CCCl)N=O"	"?"	"InChI=1S/C10H16ClN3O2/c11-3-4-14(13-16)10(15)12-9-6-7-1-2-8(9)5-7/h7-9H,1-6H2,(H,12,15)"	"VGFFLHYAQABHTR-UHFFFAOYSA-N"	FALSE	FALSE	83	2	3
"13915-60-1"	"DTXSID40160935"	"Benzoic acid, p-chlorothio-, O-ethyl ester"	"EPA_DSSTox"	"CCOC(=S)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C9H9ClOS/c1-2-11-9(12)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3"	"ZSRGLQQAHXRPJC-UHFFFAOYSA-N"	FALSE	FALSE	995	3	4
"139189-30-3"	NA	NA	"Public_CrossChecked"	"CC1C=CC=C(C)C=1OP(=O)(OC1C=C(C=CC=1)OP(=O)(OC1C(C)=CC=CC=1C)OC1C(C)=CC=CC=1C)OC1C(C)=CC=CC=1C"	"?"	"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"	FALSE	TRUE	NA	3	5
"1392325-86-8"	"DTXSID50889165"	"5H-Cyclopenta[h]quinazoline, 6,6a,7,8,9,9a-hexahydro-7,7,8,9,9-pentamethyl-"	"EPA_DSSTox"	"CC1C(C)(C)C2C(CCC3=CN=CN=C32)C1(C)C"	"?"	"InChI=1S/C16H24N2/c1-10-15(2,3)12-7-6-11-8-17-9-18-14(11)13(12)16(10,4)5/h8-10,12-13H,6-7H2,1-5H3"	"QKABJOXIAJBLQX-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"13925-07-0"	"DTXSID7065679"	"Pyrazine, 2-ethyl-3,5-dimethyl-"	"EPA_DSSTox"	"CCC1N=CC(C)=NC=1C"	"?"	"InChI=1S/C8H12N2/c1-4-8-7(3)10-6(2)5-9-8/h5H,4H2,1-3H3"	"JZBCTZLGKSYRSF-UHFFFAOYSA-N"	FALSE	FALSE	456	2	4
"13930-31-9"	"DTXSID80161002"	"Oxethazaine hydrochloride"	"EPA_DSSTox"	"CC(C)(CC1C=CC=CC=1)N(C)C(=O)CN(CCO)CC(=O)N(C)C(C)(C)CC1C=CC=CC=1"	"Cl"	"InChI=1S/C28H41N3O3/c1-27(2,19-23-13-9-7-10-14-23)29(5)25(33)21-31(17-18-32)22-26(34)30(6)28(3,4)20-24-15-11-8-12-16-24/h7-16,32H,17-22H2,1-6H3"	"FTLDJPRFCGDUFH-UHFFFAOYSA-N"	FALSE	FALSE	675	3	4
"13940-94-8"	"DTXSID1065683"	"4-Chlorobenzal chloride"	"EPA_DSSTox"	"ClC1C=CC(=CC=1)C(Cl)Cl"	"?"	"InChI=1S/C7H5Cl3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,7H"	"VWHNJDGWDOQJRM-UHFFFAOYSA-N"	FALSE	FALSE	1910	3	4
"13945-53-4"	"DTXSID40161048"	"Carbamic acid, N-(p-chlorobenzenesulfonyl)-, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)NS(=O)(=O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C9H10ClNO4S/c1-2-15-9(12)11-16(13,14)8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H,11,12)"	"FACGRORYCNHVPV-UHFFFAOYSA-N"	FALSE	FALSE	380	2	4
"139481-59-7"	"DTXSID0022725"	"Candesartan"	"EPA_DSSTox"	"CCOC1=NC2C=CC=C(C=2N1CC1C=CC(=CC=1)C1=CC=CC=C1C1NN=NN=1)C(O)=O"	"?"	"InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)"	"HTQMVQVXFRQIKW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"13952-84-6"	"DTXSID4022284"	"2-Butanamine"	"EPA_DSSTox"	"CCC(C)N"	"?"	"InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3"	"BHRZNVHARXXAHW-UHFFFAOYSA-N"	FALSE	FALSE	152	2	3
"13955-12-9"	NA	NA	"Public_CrossChecked"	"COP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)OC(C)C"	"?"	"InChI=1S/C10H14NO5PS/c1-8(2)15-17(18,14-3)16-10-6-4-9(5-7-10)11(12)13/h4-8H,1-3H3"	"IDTURXUOVKNCOM-UHFFFAOYSA-N"	TRUE	FALSE	5	1	2
"1397-89-3"	"DTXSID9022601"	"Amphotericin B"	"EPA_DSSTox"	"CC1C=CC=CC=CC=CC=CC=CC=CC(CC2OC(O)(CC(O)C2C(O)=O)CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)OC1OC(C)C(O)C(N)C1O |c:4,10,14,t:8,12|"	"?"	"InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7?,10-8-,13-11-,14-12+,17-15?,18-16-"	"APKFDSVGJQXUKY-LDYOYDLWSA-N"	FALSE	TRUE	NA	4	5
"13973-71-2"	NA	NA	"Public_CrossChecked"	"C=CCNC(=O)OCC(O)C1COC2C=CC=CC=2O1"	"?"	"InChI=1S/C14H17NO5/c1-2-7-15-14(17)19-8-10(16)13-9-18-11-5-3-4-6-12(11)20-13/h2-6,10,13,16H,1,7-9H2,(H,15,17)"	"VCTNHPKSHQKNAO-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"13980-04-6"	"DTXSID10161171"	"Trinitrosotrimethylenetriamine"	"EPA_DSSTox"	"O=NN1CN(CN(C1)N=O)N=O"	"?"	"InChI=1S/C3H6N6O3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H2"	"HFWOSHMLDRSIDN-UHFFFAOYSA-N"	FALSE	FALSE	160	2	3
"139886-03-6"	NA	NA	"Public_CrossChecked"	"CON=CC1CNCCC=1"	"Cl"	"InChI=1S/C7H12N2O/c1-10-9-6-7-3-2-4-8-5-7/h3,6,8H,2,4-5H2,1H3"	"YIQBHPFHKPIDSO-UHFFFAOYSA-N"	TRUE	FALSE	12	1	2
"139886-04-7"	NA	NA	"Public_CrossChecked"	"CON=CC1CN(C)CCC=1"	"Cl"	"InChI=1S/C8H14N2O/c1-10-5-3-4-8(7-10)6-9-11-2/h4,6H,3,5,7H2,1-2H3"	"YMMXHEYLRHNXAB-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"139886-21-8"	NA	NA	"Public_CrossChecked"	"C#CCON=CC1CNCCC=1"	"Cl"	"InChI=1S/C9H12N2O/c1-2-6-12-11-8-9-4-3-5-10-7-9/h1,4,8,10H,3,5-7H2"	"IRGVZKFUJKODCN-UHFFFAOYSA-N"	FALSE	FALSE	80	2	3
"139886-24-1"	NA	NA	"Public_CrossChecked"	"CN1CC(C=NOCC#C)=CCC1"	"Cl"	"InChI=1S/C10H14N2O/c1-3-7-13-11-8-10-5-4-6-12(2)9-10/h1,5,8H,4,6-7,9H2,2H3"	"UZKYJVBSQZIPAE-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"1399-80-0"	"DTXSID9034735"	"Methyldodecylbenzyl trimethyl ammonium chloride 80% and methyldodecylxylylene bis(trimethyl ammonium chloride) 20%"	"EPA_DSSTox"	"CC1=CC=C(CCCCCCCCCCCC)C=C1C[N+](C)(C)C"	"[Cl-]"	"InChI=1S/C23H42N/c1-6-7-8-9-10-11-12-13-14-15-16-22-18-17-21(2)23(19-22)20-24(3,4)5/h17-19H,6-16,20H2,1-5H3/q+1"	"RGGVNROFCZWONG-UHFFFAOYSA-N"	FALSE	FALSE	389	2	4
"13993-65-2"	"DTXSID7023308"	"Metiazinic acid"	"EPA_DSSTox"	"CN1C2=CC=CC=C2SC2C=CC(CC(O)=O)=CC1=2"	"?"	"InChI=1S/C15H13NO2S/c1-16-11-4-2-3-5-13(11)19-14-7-6-10(8-12(14)16)9-15(17)18/h2-8H,9H2,1H3,(H,17,18)"	"LMINNBXUMGNKMM-UHFFFAOYSA-N"	FALSE	FALSE	495	2	4
"139958-16-0"	NA	NA	"Public_CrossChecked"	"COC1C(=CC(C)=NC=1C)OCC1C=CC(=CC=1)C1C=CC=CC=1C1=NNN=N1"	"?"	"InChI=1S/C22H21N5O2/c1-14-12-20(21(28-3)15(2)23-14)29-13-16-8-10-17(11-9-16)18-6-4-5-7-19(18)22-24-26-27-25-22/h4-12H,13H2,1-3H3,(H,24,25,26,27)"	"FTDRSCZZEUAAIP-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"140-01-2"	"DTXSID9027077"	"Glycine, N,N-bis[2-[bis(carboxymethyl)amino]ethyl]-, pentasodium salt"	"EPA_DSSTox"	"OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O"	"[Na+].[Na+].[Na+].[Na+]"	"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"	FALSE	TRUE	4550	3	5
"140-08-9"	"DTXSID0026258"	"Tris(2-chloroethyl) phosphite"	"EPA_DSSTox"	"ClCCOP(OCCCl)OCCCl"	"?"	"InChI=1S/C6H12Cl3O3P/c7-1-4-10-13(11-5-2-8)12-6-3-9/h1-6H2"	"LUVCTYHBTXSAMX-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"140-11-4"	"DTXSID0020151"	"Benzyl acetate"	"EPA_DSSTox"	"CC(=O)OCC1C=CC=CC=1"	"?"	"InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3"	"QUKGYYKBILRGFE-UHFFFAOYSA-N"	FALSE	TRUE	2490	3	5
"140-26-1"	"DTXSID2059693"	"Butanoic acid, 3-methyl-, 2-phenylethyl ester"	"EPA_DSSTox"	"CC(C)CC(=O)OCCC1C=CC=CC=1"	"?"	"InChI=1S/C13H18O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3"	"JIMGVOCOYZFDKB-UHFFFAOYSA-N"	FALSE	TRUE	6220	4	5
"140-31-8"	"DTXSID2021997"	"1-(2-Aminoethyl)piperazine"	"EPA_DSSTox"	"NCCN1CCNCC1"	"?"	"InChI=1S/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2"	"IMUDHTPIFIBORV-UHFFFAOYSA-N"	FALSE	TRUE	2140	3	5
"140-40-9"	"DTXSID6046391"	"Nithiamide"	"EPA_DSSTox"	"CC(=O)NC1=NC=C(S1)[N+]([O-])=O"	"?"	"InChI=1S/C5H5N3O3S/c1-3(9)7-5-6-2-4(12-5)8(10)11/h2H,1H3,(H,6,7,9)"	"UJRRDDHEMZLWFI-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"140-56-7"	"DTXSID6040371"	"Fenaminosulf"	"EPA_DSSTox"	"CN(C)C1C=CC(=CC=1)N=NS(O)(=O)=O"	"[Na+]"	"InChI=1S/C8H11N3O3S/c1-11(2)8-5-3-7(4-6-8)9-10-15(12,13)14/h3-6H,1-2H3,(H,12,13,14)"	"FLTYACUMGDVPLP-UHFFFAOYSA-N"	FALSE	FALSE	60	2	3
"140-57-8"	"DTXSID3020097"	"Aramite"	"EPA_DSSTox"	"CC(COC1C=CC(=CC=1)C(C)(C)C)OS(=O)OCCCl"	"?"	"InChI=1S/C15H23ClO4S/c1-12(20-21(17)19-10-9-16)11-18-14-7-5-13(6-8-14)15(2,3)4/h5-8,12H,9-11H2,1-4H3"	"YKFRAOGHWKADFJ-UHFFFAOYSA-N"	FALSE	TRUE	3900	3	5
"140-66-9"	"DTXSID9022360"	"4-(1,1,3,3-Tetramethylbutyl)phenol"	"EPA_DSSTox"	"CC(C)(C)CC(C)(C)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3"	"ISAVYTVYFVQUDY-UHFFFAOYSA-N"	FALSE	TRUE	4040	3	5
"140-67-0"	"DTXSID0020575"	"Estragole"	"EPA_DSSTox"	"COC1C=CC(CC=C)=CC=1"	"?"	"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3"	"ZFMSMUAANRJZFM-UHFFFAOYSA-N"	FALSE	FALSE	1230	3	4
"140-72-7"	"DTXSID3033307"	"Cetylpyridinium bromide"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCC[N+]1C=CC=CC=1"	"[Br-]"	"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"	FALSE	FALSE	475	2	4
"140-79-4"	"DTXSID0020527"	"Dinitrosopiperazine"	"EPA_DSSTox"	"O=NN1CCN(CC1)N=O"	"?"	"InChI=1S/C4H8N4O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H2"	"WNSYEWGYAFFSSQ-UHFFFAOYSA-N"	FALSE	FALSE	160	2	3
"140-88-5"	"DTXSID4020583"	"Ethyl acrylate"	"EPA_DSSTox"	"CCOC(=O)C=C"	"?"	"InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3"	"JIGUQPWFLRLWPJ-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"140-89-6"	"DTXSID6042315"	"Potassium ethyl xanthate"	"EPA_DSSTox"	"CCOC(S)=S"	"[K+]"	"InChI=1S/C3H6OS2/c1-2-4-3(5)6/h2H2,1H3,(H,5,6)"	"ZOOODBUHSVUZEM-UHFFFAOYSA-N"	FALSE	FALSE	1700	3	4
"140-90-9"	"DTXSID1044801"	"Sodium O-ethyl carbonodithioate"	"EPA_DSSTox"	"CCOC(S)=S"	"[Na+]"	"InChI=1S/C3H6OS2/c1-2-4-3(5)6/h2H2,1H3,(H,5,6)"	"ZOOODBUHSVUZEM-UHFFFAOYSA-N"	FALSE	FALSE	1700	3	4
"14007-49-9"	NA	NA	"Public_CrossChecked"	"CC[N+](C)(C)CCC(C(N)=O)(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C20H26N2O/c1-4-22(2,3)16-15-20(19(21)23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,4,15-16H2,1-3H3,(H-,21,23)/p+1"	"KFZMXOLSYABOSE-UHFFFAOYSA-O"	FALSE	FALSE	1350	3	4
"14008-44-7"	"DTXSID80161224"	"Metopimazine"	"EPA_DSSTox"	"CS(=O)(=O)C1=CC2=C(C=C1)SC1C=CC=CC=1N2CCCN1CCC(CC1)C(N)=O"	"?"	"InChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)"	"BQDBKDMTIJBJLA-UHFFFAOYSA-N"	FALSE	FALSE	976	3	4
"14008-48-1"	"DTXSID1048839"	"Bisoxatin acetate"	"EPA_DSSTox"	"CC(=O)OC1C=CC(=CC=1)C1(OC2C=CC=CC=2NC1=O)C1C=CC(=CC=1)OC(C)=O"	"?"	"InChI=1S/C24H19NO6/c1-15(26)29-19-11-7-17(8-12-19)24(18-9-13-20(14-10-18)30-16(2)27)23(28)25-21-5-3-4-6-22(21)31-24/h3-14H,1-2H3,(H,25,28)"	"ZCBJDQBSLZREAA-UHFFFAOYSA-N"	FALSE	TRUE	8000	4	5
"14008-53-8"	NA	NA	"Public_CrossChecked"	"O=S1(=O)CC(Br)CC1"	"?"	"InChI=1S/C4H7BrO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3H2"	"IPOKQKBJDASROB-UHFFFAOYSA-N"	FALSE	FALSE	215	2	3
"1401-69-0"	"DTXSID3043996"	"Tylosin"	"EPA_DSSTox"	"CC1C=CC(=O)C(C)CC(CC=O)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(C2O)N(C)C)C(C)C(O)CC(=O)OC(CC)C(COC2OC(C)C(O)C(OC)C2OC)C=1"	"?"	"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"	"WBPYTXDJUQJLPQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"14026-03-0"	"DTXSID6020852"	"R(-)-2-Methyl-N-nitrosopiperidine"	"EPA_DSSTox"	"CC1CCCCN1N=O"	"?"	"InChI=1S/C6H12N2O/c1-6-4-2-3-5-8(6)7-9/h6H,2-5H2,1H3"	"SSPVLHFEMWOTGD-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"14028-44-5"	"DTXSID7022598"	"Amoxapine"	"EPA_DSSTox"	"ClC1C=C2C(=NC3C=CC=CC=3OC2=CC=1)N1CCNCC1"	"?"	"InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2"	"QWGDMFLQWFTERH-UHFFFAOYSA-N"	FALSE	FALSE	313	2	4
"1403-66-3"	NA	NA	"Public_CrossChecked"	"CC(NC)C1CCC(N)C(O1)OC1C(O)C(OC2OCC(C)(O)C(NC)C2O)C(N)CC1N"	"?"	"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"	FALSE	TRUE	6600	4	5
"1404-93-9"	"DTXSID3045354"	"Vancomycin hydrochloride"	"EPA_DSSTox"	"CC(C)CC(NC)C(=O)NC1C(O)C2C=CC(OC3C=C4C=C(OC5C=CC(=CC=5Cl)C(O)C5NC(=O)C(NC(=O)C4NC(=O)C(CC(N)=O)NC1=O)C1C=CC(O)=C(C=1)C1=C(C=C(O)C=C1O)C(NC5=O)C(O)=O)C=3OC1OC(CO)C(O)C(O)C1OC1CC(C)(N)C(O)C(C)O1)=C(Cl)C=2"	"Cl"	"InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)"	"MYPYJXKWCTUITO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"14047-09-7"	"DTXSID6026086"	"3,3',4,4'-Tetrachloroazobenzene"	"EPA_DSSTox"	"ClC1=CC=C(C=C1Cl)N=NC1=CC(Cl)=C(Cl)C=C1"	"?"	"InChI=1S/C12H6Cl4N2/c13-9-3-1-7(5-11(9)15)17-18-8-2-4-10(14)12(16)6-8/h1-6H"	"SOBGIMQKWDUEPY-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"1405-54-5"	"DTXSID3045938"	"Tylosin tartrate"	"EPA_DSSTox"	"CC1C=CC(=O)C(C)CC(CC=O)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(C2O)N(C)C)C(C)C(O)CC(=O)OC(CC)C(COC2OC(C)C(O)C(OC)C2OC)C=1 |c:2,t:66|"	"O[C@H]([C@@H](O)C(O)=O)C(O)=O"	"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"	FALSE	TRUE	NA	4	5
"14052-72-3"	"DTXSID80161421"	"2-Furaldehyde, 5-nitro-, 4,4-diethyl-3-thiosemicarbazone"	"EPA_DSSTox"	"CCN(CC)C(=S)NN=CC1=CC=C(O1)[N+]([O-])=O"	"?"	"InChI=1S/C10H14N4O3S/c1-3-13(4-2)10(18)12-11-7-8-5-6-9(17-8)14(15)16/h5-7H,3-4H2,1-2H3,(H,12,18)"	"AXOKQUITRHIXGR-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"14052-74-5"	"DTXSID40161422"	"1-Piperidinecarbothioic acid, (5-nitrofurfurylidene)hydrazide"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC=C(C=NNC(=S)N2CCCCC2)O1"	"?"	"InChI=1S/C11H14N4O3S/c16-15(17)10-5-4-9(18-10)8-12-13-11(19)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,13,19)"	"OOWXHBICTWJDCR-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"14052-77-8"	"DTXSID20161425"	"1-Pyrrolidinecarbothioic acid, (5-nitrofurfurylidene)hydrazide"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC=C(C=NNC(=S)N2CCCC2)O1"	"?"	"InChI=1S/C10H12N4O3S/c15-14(16)9-4-3-8(17-9)7-11-12-10(18)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,12,18)"	"ZUVCLMKNLFBPAE-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"14052-80-3"	"DTXSID40161427"	"1-Piperazinecarboxylic acid, 4-methyl-, (5-nitrofurfurylidene)hydrazide"	"EPA_DSSTox"	"CN1CCN(CC1)C(=O)NN=CC1=CC=C(O1)[N+]([O-])=O"	"?"	"InChI=1S/C11H15N5O4/c1-14-4-6-15(7-5-14)11(17)13-12-8-9-2-3-10(20-9)16(18)19/h2-3,8H,4-7H2,1H3,(H,13,17)"	"ADWZJHNUKKEYJS-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"1406-66-2"	"DTXSID8021357"	"dl-Tocopherol mixture"	"EPA_DSSTox"	"CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(O1)C(C)=CC(O)=C2C"	"?"	"InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3"	"WGVKWNUPNGFDFJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"14062-23-8"	"DTXSID3046160"	"Felbinac ethyl"	"EPA_DSSTox"	"CCOC(=O)CC1C=CC(=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C16H16O2/c1-2-18-16(17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3"	"NPPJLSILDPVHCM-UHFFFAOYSA-N"	FALSE	FALSE	385	2	4
"14064-10-9"	"DTXSID2022258"	"Diethyl chloromalonate"	"EPA_DSSTox"	"CCOC(=O)C(Cl)C(=O)OCC"	"?"	"InChI=1S/C7H11ClO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3"	"WLWCQKMQYZFTDR-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"140695-21-2"	"DTXSID6040240"	"Osutidine"	"EPA_DSSTox"	"CNCC1=CC=C(CSCCN/C(/NCC(O)C2=CC=C(O)C=C2)=N/S(C)(=O)=O)O1"	"?"	"InChI=1S/C19H28N4O5S2/c1-20-11-16-7-8-17(28-16)13-29-10-9-21-19(23-30(2,26)27)22-12-18(25)14-3-5-15(24)6-4-14/h3-8,18,20,24-25H,9-13H2,1-2H3,(H2,21,22,23)"	"GZPOYVTZKHVRHE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"14078-41-2"	NA	NA	"Public_CrossChecked"	"CC(C)(C)C1=CC(=CC(C2=CC(=CC(=C2O)C(C)(C)C)OC)=C1O)OC"	"?"	"InChI=1S/C22H30O4/c1-21(2,3)17-11-13(25-7)9-15(19(17)23)16-10-14(26-8)12-18(20(16)24)22(4,5)6/h9-12,23-24H,1-8H3"	"CBYWHFTZNVZQHV-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"14086-35-2"	"DTXSID40161482"	"Fenthion oxon sulfone"	"EPA_DSSTox"	"CC1C=C(C=CC=1S(C)(=O)=O)OP(=O)(OC)OC"	"?"	"InChI=1S/C10H15O6PS/c1-8-7-9(16-17(11,14-2)15-3)5-6-10(8)18(4,12)13/h5-7H,1-4H3"	"VUTHWSUXEOILTN-UHFFFAOYSA-N"	TRUE	FALSE	30	1	2
"141-00-4"	"DTXSID7044550"	"Cadmium butanedioate"	"EPA_DSSTox"	"OC(=O)CCC(O)=O"	"[Cd+2]"	"InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)"	"KDYFGRWQOYBRFD-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"141-03-7"	"DTXSID7021998"	"Dibutyl butanedioate"	"EPA_DSSTox"	"CCCCOC(=O)CCC(=O)OCCCC"	"?"	"InChI=1S/C12H22O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-10H2,1-2H3"	"YUXIBTJKHLUKBD-UHFFFAOYSA-N"	FALSE	TRUE	8000	4	5
"141-11-7"	"DTXSID00861810"	"7-Octen-1-ol, 3,7-dimethyl-, 1-acetate"	"EPA_DSSTox"	"CC(=O)OCCC(C)CCCC(C)=C"	"?"	"InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h11H,1,5-9H2,2-4H3"	"WNXJCQNXNOOMDJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"141-14-0"	"DTXSID8047187"	"Citronellyl propionate"	"EPA_DSSTox"	"CC(C)=CCCC(C)CCOC(=O)CC"	"?"	"InChI=1S/C13H24O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3"	"POPNTVRHTZDEBW-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"141-17-3"	"DTXSID3027085"	"Bis[2-(2-butoxyethoxy)ethyl] hexandioate"	"EPA_DSSTox"	"CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC"	"?"	"InChI=1S/C22H42O8/c1-3-5-11-25-13-15-27-17-19-29-21(23)9-7-8-10-22(24)30-20-18-28-16-14-26-12-6-4-2/h3-20H2,1-2H3"	"SCABKEBYDRTODC-UHFFFAOYSA-N"	FALSE	TRUE	6000	4	5
"141-27-5"	"DTXSID20881217"	"(2E)-3,7-dimethylocta-2,6-dienal"	"EPA_DSSTox"	"CC(C)=CCCC(C)=CC=O"	"?"	"InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3"	"WTEVQBCEXWBHNA-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"141-28-6"	"DTXSID2021999"	"Diethyl hexanedioate"	"EPA_DSSTox"	"CCOC(=O)CCCCC(=O)OCC"	"?"	"InChI=1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3"	"VIZORQUEIQEFRT-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"141-31-1"	NA	NA	"Public_CrossChecked"	"OCC(=O)CCCC=O"	"?"	"InChI=1S/C6H10O3/c7-4-2-1-3-6(9)5-8/h4,8H,1-3,5H2"	"PSWLWOPCCZBSLW-UHFFFAOYSA-N"	FALSE	TRUE	17000	4	5
"141-32-2"	"DTXSID6024676"	"Butyl acrylate"	"EPA_DSSTox"	"CCCCOC(=O)C=C"	"?"	"InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3"	"CQEYYJKEWSMYFG-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"141-43-5"	"DTXSID6022000"	"Ethanolamine"	"EPA_DSSTox"	"NCCO"	"?"	"InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2"	"HZAXFHJVJLSVMW-UHFFFAOYSA-N"	FALSE	FALSE	1720	3	4
"141-59-3"	"DTXSID9059707"	"2-Pentanethiol, 2,4,4-trimethyl-"	"EPA_DSSTox"	"CC(C)(C)CC(C)(C)S"	"?"	"InChI=1S/C8H18S/c1-7(2,3)6-8(4,5)9/h9H,6H2,1-5H3"	"QZLAEIZEPJAELS-UHFFFAOYSA-N"	FALSE	FALSE	52	2	3
"141-66-2"	"DTXSID9023914"	"Dicrotophos"	"EPA_DSSTox"	"CC(=CC(=O)N(C)C)OP(=O)(OC)OC"	"?"	"InChI=1S/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3"	"VEENJGZXVHKXNB-UHFFFAOYSA-N"	TRUE	FALSE	9	1	2
"141-84-4"	"DTXSID4026002"	"Rhodanine"	"EPA_DSSTox"	"O=C1CSC(=S)N1"	"?"	"InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)"	"KIWUVOGUEXMXSV-UHFFFAOYSA-N"	FALSE	FALSE	320	2	4
"141-91-3"	"DTXSID6022002"	"2,6-Dimethyl morpholine"	"EPA_DSSTox"	"CC1CNCC(C)O1"	"?"	"InChI=1S/C6H13NO/c1-5-3-7-4-6(2)8-5/h5-7H,3-4H2,1-2H3"	"HNVIQLPOGUDBSU-UHFFFAOYSA-N"	FALSE	TRUE	2830	3	5
"141-94-6"	"DTXSID1045297"	"Hexetidine"	"EPA_DSSTox"	"CC1(N)CN(CN(C1)CC(CCCC)CC)CC(CCCC)CC"	"?"	"InChI=1S/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3"	"DTOUUUZOYKYHEP-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"141-97-9"	"DTXSID2027092"	"Ethyl acetoacetate"	"EPA_DSSTox"	"CC(=O)CC(=O)OCC"	"?"	"InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3"	"XYIBRDXRRQCHLP-UHFFFAOYSA-N"	FALSE	TRUE	3980	3	5
"141112-29-0"	"DTXSID5034723"	"Isoxaflutole"	"EPA_DSSTox"	"CS(=O)(=O)C1C=C(C=CC=1C(=O)C1C=NOC=1C1CC1)C(F)(F)F"	"?"	"InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3"	"OYIKARCXOQLFHF-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"141396-28-3"	"DTXSID5057888"	"Argatroban monohydrate"	"EPA_DSSTox"	"[H]/N=C(\N)/NCCCC(NS(=O)(=O)C1C=CC=C2CC(C)CNC=12)C(=O)N1CCC(C)CC1C(O)=O"	"O"	"InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)"	"KXNPVXPOPUZYGB-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"14143-09-0"	"DTXSID80161729"	"Phosphoric acid, diethyl 3-methyl-4-(methylsulfonyl)phenyl ester"	"EPA_DSSTox"	"CC1C=C(C=CC=1S(C)(=O)=O)OP(=O)(OCC)OCC"	"?"	"InChI=1S/C12H19O6PS/c1-5-16-19(13,17-6-2)18-11-7-8-12(10(3)9-11)20(4,14)15/h7-9H,5-6H2,1-4H3"	"XYHXRVYYEZNNPU-UHFFFAOYSA-N"	TRUE	FALSE	8.128	1	2
"14143-28-3"	NA	NA	"Public_CrossChecked"	"CC1C=C(O)C=CC=1S(C)=O"	"?"	"InChI=1S/C8H10O2S/c1-6-5-7(9)3-4-8(6)11(2)10/h3-5,9H,1-2H3"	"YFQBELWMXKXATM-UHFFFAOYSA-N"	FALSE	TRUE	3500	3	5
"14144-91-3"	NA	NA	"Public_CrossChecked"	"CC1C=CC(=CC=1N(C)C)OC(=O)NC"	"?"	"InChI=1S/C11H16N2O2/c1-8-5-6-9(15-11(14)12-2)7-10(8)13(3)4/h5-7H,1-4H3,(H,12,14)"	"SOANVOIJXGSERP-UHFFFAOYSA-N"	TRUE	FALSE	46	1	2
"14150-71-1"	"DTXSID7051713"	"Vinylene bisthiocyanate"	"EPA_DSSTox"	"N#CSC=CSC#N"	"?"	"InChI=1S/C4H2N2S2/c5-3-7-1-2-8-4-6/h1-2H"	"MNCUCCJMXIWMJJ-UHFFFAOYSA-N"	FALSE	FALSE	77	2	3
"141543-65-9"	NA	NA	"Public_CrossChecked"	"CC1CN(CCN1)S(=O)(=O)C1C=CC=C2C=NC=CC2=1"	"?"	"InChI=1S/C14H17N3O2S/c1-11-10-17(8-7-16-11)20(18,19)14-4-2-3-12-9-15-6-5-13(12)14/h2-6,9,11,16H,7-8,10H2,1H3"	"QGSCXAWTTISKLF-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"141645-16-1"	"DTXSID50467068"	"(2-Butyl-5-nitro-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone"	"EPA_DSSTox"	"CCCCC1OC2=CC=C(C=C2C=1C(=O)C1C=CC(O)=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C19H17NO5/c1-2-3-4-17-18(19(22)12-5-8-14(21)9-6-12)15-11-13(20(23)24)7-10-16(15)25-17/h5-11,21H,2-4H2,1H3"	"ZJZKLBXEGZKOBW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"14168-01-5"	"DTXSID4057974"	"Dilor"	"EPA_DSSTox"	"ClC1(Cl)C2(Cl)C3CC(Cl)CC3C1(Cl)C(Cl)=C2Cl"	"?"	"InChI=1S/C10H7Cl7/c11-3-1-4-5(2-3)9(15)7(13)6(12)8(4,14)10(9,16)17/h3-5H,1-2H2"	"CLTVIMPCWMHKFX-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"141773-73-1"	"DTXSID7051341"	"1-Propanol, 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methyl-, 1-propanoate"	"EPA_DSSTox"	"CC(OC(C)(C)COC(=O)CC)C1CCCC(C)(C)C1"	"?"	"InChI=1S/C17H32O3/c1-7-15(18)19-12-17(5,6)20-13(2)14-9-8-10-16(3,4)11-14/h13-14H,7-12H2,1-6H3"	"LSTSBZKIQFOPHA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"141776-32-1"	"DTXSID4034940"	"Sulfosulfuron"	"EPA_DSSTox"	"CCS(=O)(=O)C1N=C2C=CC=CN2C=1S(=O)(=O)NC(=O)NC1=NC(=CC(=N1)OC)OC"	"?"	"InChI=1S/C16H18N6O7S2/c1-4-30(24,25)13-14(22-8-6-5-7-10(22)17-13)31(26,27)21-16(23)20-15-18-11(28-2)9-12(19-15)29-3/h5-9H,4H2,1-3H3,(H2,18,19,20,21,23)"	"RBSXHDIPCIWOMG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"14187-32-7"	"DTXSID6022428"	"Dibenzo-18-crown-6"	"EPA_DSSTox"	"C1COC2C=CC=CC=2OCCOCCOC2C=CC=CC=2OCCO1"	"?"	"InChI=1S/C20H24O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h1-8H,9-16H2"	"YSSSPARMOAYJTE-UHFFFAOYSA-N"	FALSE	TRUE	2600	3	5
"14192-26-8"	"DTXSID50395695"	"Methyl 2-oxo-2,3-dihydro-1H-indole-6-carboxylate"	"EPA_DSSTox"	"COC(=O)C1C=C2NC(=O)CC2=CC=1"	"?"	"InChI=1S/C10H9NO3/c1-14-10(13)7-3-2-6-5-9(12)11-8(6)4-7/h2-4H,5H2,1H3,(H,11,12)"	"YFTGUNWFFVDLNM-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"142-04-1"	"DTXSID3020091"	"Aniline hydrochloride"	"EPA_DSSTox"	"NC1C=CC=CC=1"	"Cl"	"InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2"	"PAYRUJLWNCNPSJ-UHFFFAOYSA-N"	FALSE	FALSE	840	3	4
"142-22-3"	"DTXSID7027095"	"2,5,8,10-Tetraoxatridec-12-enoic acid, 9-oxo-, 2-propenyl ester"	"EPA_DSSTox"	"C=CCOC(=O)OCCOCCOC(=O)OCC=C"	"?"	"InChI=1S/C12H18O7/c1-3-5-16-11(13)18-9-7-15-8-10-19-12(14)17-6-4-2/h3-4H,1-2,5-10H2"	"JHQVCQDWGSXTFE-UHFFFAOYSA-N"	FALSE	FALSE	349.5	2	4
"142-26-7"	"DTXSID6044804"	"N-(2-Hydroxyethyl)acetamide"	"EPA_DSSTox"	"CC(=O)NCCO"	"?"	"InChI=1S/C4H9NO2/c1-4(7)5-2-3-6/h6H,2-3H2,1H3,(H,5,7)"	"PVCJKHHOXFKFRP-UHFFFAOYSA-N"	FALSE	TRUE	26950	4	5
"142-31-4"	"DTXSID9036226"	"Sodium octyl sulfate"	"EPA_DSSTox"	"CCCCCCCCOS(O)(=O)=O"	"[Na+]"	"InChI=1S/C8H18O4S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H,9,10,11)"	"UZZYXUGECOQHPU-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"142-47-2"	"DTXSID9020906"	"Sodium l-glutamate"	"EPA_DSSTox"	"NC(CCC(O)=O)C(O)=O"	"[Na+]"	"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)"	"WHUUTDBJXJRKMK-UHFFFAOYSA-N"	FALSE	TRUE	15800	4	5
"142-55-2"	"DTXSID30881006"	"2-Hydroxypropyl laurate"	"EPA_DSSTox"	"CCCCCCCCCCCC(=O)OCC(C)O"	"?"	"InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-15(17)18-13-14(2)16/h14,16H,3-13H2,1-2H3"	"BHIZVZJETFVJMJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"142-83-6"	"DTXSID2025391"	"(2E,4E)-2,4-Hexadienal"	"EPA_DSSTox"	"CC=CC=CC=O"	"?"	"InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3"	"BATOPAZDIZEVQF-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"142-84-7"	"DTXSID2025185"	"Dipropylamine"	"EPA_DSSTox"	"CCCNCCC"	"?"	"InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3"	"WEHWNAOGRSTTBQ-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"142-87-0"	"DTXSID4036229"	"Sodium decyl sulfate"	"EPA_DSSTox"	"CCCCCCCCCCOS(O)(=O)=O"	"[Na+]"	"InChI=1S/C10H22O4S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H,11,12,13)"	"CSMFSDCPJHNZRY-UHFFFAOYSA-N"	FALSE	FALSE	1950	3	4
"142-90-5"	"DTXSID4027103"	"Dodecyl 2-methylacrylate"	"EPA_DSSTox"	"CC(=C)C(=O)OCCCCCCCCCCCC"	"?"	"InChI=1S/C16H30O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3/h2,4-14H2,1,3H3"	"GMSCBRSQMRDRCD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"142-92-7"	"DTXSID6022006"	"Hexyl acetate"	"EPA_DSSTox"	"CCCCCCOC(C)=O"	"?"	"InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3"	"AOGQPLXWSUTHQB-UHFFFAOYSA-N"	FALSE	TRUE	42000	4	5
"142-96-1"	"DTXSID1022007"	"Butyl ether"	"EPA_DSSTox"	"CCCCOCCCC"	"?"	"InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3"	"DURPTKYDGMDSBL-UHFFFAOYSA-N"	FALSE	TRUE	7400	4	5
"1420-04-8"	"DTXSID3020338"	"Clonitralid"	"EPA_DSSTox"	"[O-][N+](=O)C1C=C(Cl)C(=CC=1)NC(=O)C1C=C(Cl)C=CC=1O"	"OCCN"	"InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)"	"RJMUSRYZPJIFPJ-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"1420-40-2"	NA	NA	"Public_CrossChecked"	"C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C"	"[I-].[I-]"	"InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2"	"MTCUAOILFDZKCO-UHFFFAOYSA-N"	FALSE	FALSE	85	2	3
"14205-39-1"	"DTXSID7051715"	"Methyl 3-aminobut-2-enoate"	"EPA_DSSTox"	"CC(N)=CC(=O)OC"	"?"	"InChI=1S/C5H9NO2/c1-4(6)3-5(7)8-2/h3H,6H2,1-2H3"	"XKORCTIIRYKLLG-UHFFFAOYSA-N"	FALSE	FALSE	1760	3	4
"1421-14-3"	"DTXSID7048825"	"Propanidid"	"EPA_DSSTox"	"COC1C=C(CC(=O)OCCC)C=CC=1OCC(=O)N(CC)CC"	"?"	"InChI=1S/C18H27NO5/c1-5-10-23-18(21)12-14-8-9-15(16(11-14)22-4)24-13-17(20)19(6-2)7-3/h8-9,11H,5-7,10,12-13H2,1-4H3"	"KEJXLQUPYHWCNM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1421-23-4"	NA	NA	"Public_CrossChecked"	"NC(N)=N/C(/N)=N/CC1C=CC=CC=1"	"?"	"InChI=1S/C9H13N5/c10-8(11)14-9(12)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H6,10,11,12,13,14)"	"IBWXAMPUVRBFIS-UHFFFAOYSA-N"	FALSE	FALSE	481	2	4
"1421-49-4"	"DTXSID3061683"	"Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-"	"EPA_DSSTox"	"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(O)=O"	"?"	"InChI=1S/C15H22O3/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6/h7-8,16H,1-6H3,(H,17,18)"	"YEXOWHQZWLCHHD-UHFFFAOYSA-N"	FALSE	FALSE	1414	3	4
"1421-68-7"	NA	NA	"Public_CrossChecked"	"CNCC(O)C1=CC(=CC=C1)NS(C)(=O)=O"	"CS(=O)(=O)O"	"InChI=1S/C10H16N2O3S/c1-11-7-10(13)8-4-3-5-9(6-8)12-16(2,14)15/h3-6,10-13H,7H2,1-2H3"	"ZHOWHMXTJFZXRB-UHFFFAOYSA-N"	TRUE	FALSE	13	1	2
"14211-01-9"	NA	NA	"Public_CrossChecked"	"CC(C)OC(=O)C(SP(=S)(OC)OC)C1=CC=CC=C1"	"?"	"InChI=1S/C13H19O4PS2/c1-10(2)17-13(14)12(11-8-6-5-7-9-11)20-18(19,15-3)16-4/h5-10,12H,1-4H3"	"KZTXOHMYUXADBN-UHFFFAOYSA-N"	FALSE	FALSE	205	2	3
"14222-60-7"	"DTXSID7045940"	"Prothionamide"	"EPA_DSSTox"	"CCCC1=CC(=CC=N1)C(N)=S"	"?"	"InChI=1S/C9H12N2S/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12)"	"VRDIULHPQTYCLN-UHFFFAOYSA-N"	FALSE	FALSE	1320	3	4
"1424-48-2"	"DTXSID3041459"	"3-(4-Tolylsulfonyl)acrylonitrile"	"EPA_DSSTox"	"CC1=CC=C(C=C1)S(=O)(=O)C=CC#N"	"?"	"InChI=1S/C10H9NO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h2-6,8H,1H3"	"DOEWDSDBFRHVAP-UHFFFAOYSA-N"	FALSE	FALSE	1440	3	4
"1424-50-6"	NA	NA	"Public_CrossChecked"	"N#CC(Cl)CS(=O)(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C9H8ClNO2S/c10-8(6-11)7-14(12,13)9-4-2-1-3-5-9/h1-5,8H,7H2"	"IWXBVRBZXCRQEB-UHFFFAOYSA-N"	FALSE	FALSE	540	3	4
"142459-58-3"	"DTXSID2032552"	"Flufenacet"	"EPA_DSSTox"	"CC(C)N(C(=O)COC1=NN=C(S1)C(F)(F)F)C1=CC=C(F)C=C1"	"?"	"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"	FALSE	FALSE	480	2	4
"142469-14-5"	"DTXSID9057975"	"Tritosulfuron"	"EPA_DSSTox"	"COC1N/C(/N=C(N=1)C(F)(F)F)=N/C(/O)=N/S(=O)(=O)C1=CC=CC=C1C(F)(F)F"	"?"	"InChI=1S/C13H9F6N5O4S/c1-28-11-21-8(13(17,18)19)20-9(23-11)22-10(25)24-29(26,27)7-5-3-2-4-6(7)12(14,15)16/h2-5H,1H3,(H2,20,21,22,23,24,25)"	"KVEQCVKVIFQSGC-UHFFFAOYSA-N"	FALSE	TRUE	4700	3	5
"14255-88-0"	"DTXSID2041969"	"Fenazaflor"	"EPA_DSSTox"	"O=C(OC1C=CC=CC=1)N1C(=NC2C=C(Cl)C(Cl)=CC1=2)C(F)(F)F"	"?"	"InChI=1S/C15H7Cl2F3N2O2/c16-9-6-11-12(7-10(9)17)22(13(21-11)15(18,19)20)14(23)24-8-4-2-1-3-5-8/h1-7H"	"ISVQSVPUDBVFFU-UHFFFAOYSA-N"	FALSE	FALSE	240	2	3
"14260-40-3"	"DTXSID60162097"	"Acetamide, N-(4-(((methylamino)carbonyl)oxy)phenyl)-"	"EPA_DSSTox"	"CC(=O)NC1C=CC(=CC=1)OC(=O)NC"	"?"	"InChI=1S/C10H12N2O3/c1-7(13)12-8-3-5-9(6-4-8)15-10(14)11-2/h3-6H,1-2H3,(H,11,14)(H,12,13)"	"FITDCWJIUQOUKB-UHFFFAOYSA-N"	FALSE	FALSE	794	3	4
"14271-02-4"	NA	NA	"Public_CrossChecked"	"COC1(C)CC(OC2C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC(C)(O)C(OC3OC(C)CC(C3O)N(C)C)C2C)OC(C)C1O"	"Cl"	"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"	FALSE	TRUE	NA	3	5
"142770-42-1"	"DTXSID50888976"	"9H-Thioxanthen-9-one, 1-chloro-4-propoxy-"	"EPA_DSSTox"	"CCCOC1=CC=C(Cl)C2=C1SC1C=CC=CC=1C2=O"	"?"	"InChI=1S/C16H13ClO2S/c1-2-9-19-12-8-7-11(17)14-15(18)10-5-3-4-6-13(10)20-16(12)14/h3-8H,2,9H2,1H3"	"VKQJCUYEEABXNK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"142852-51-5"	NA	NA	"Public_CrossChecked"	"O=C(CCC1CCN(CC2C=CC=CC=2)CC1)C1=CC2NCCCCC=2C=C1"	"C(=C/C(=O)O)\C(=O)O"	"InChI=1S/C25H32N2O/c28-25(23-11-10-22-8-4-5-15-26-24(22)18-23)12-9-20-13-16-27(17-14-20)19-21-6-2-1-3-7-21/h1-3,6-7,10-11,18,20,26H,4-5,8-9,12-17,19H2"	"PMBLXLOXUGVTGB-UHFFFAOYSA-N"	FALSE	FALSE	334	2	4
"14286-84-1"	NA	NA	"Public_CrossChecked"	"CN(C)CCCOC1(CC2C=CC=CC=2)CCCCCC1"	"C(=C/C(=O)O)\C(=O)O"	"InChI=1S/C19H31NO/c1-20(2)15-10-16-21-19(13-8-3-4-9-14-19)17-18-11-6-5-7-12-18/h5-7,11-12H,3-4,8-10,13-17H2,1-2H3"	"FYJJXENSONZJRG-UHFFFAOYSA-N"	FALSE	FALSE	414	2	4
"142891-20-1"	"DTXSID1036753"	"Cinidon-ethyl"	"EPA_DSSTox"	"CCOC(=O)C(Cl)=CC1C=C(C=CC=1Cl)N1C(=O)C2CCCCC=2C1=O"	"?"	"InChI=1S/C19H17Cl2NO4/c1-2-26-19(25)16(21)10-11-9-12(7-8-15(11)20)22-17(23)13-5-3-4-6-14(13)18(22)24/h7-10H,2-6H2,1H3"	"NNKKTZOEKDFTBU-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"14297-81-5"	NA	NA	"Public_CrossChecked"	"CC(C)=CC1C(C(=O)Cl)C1(C)C"	"?"	"InChI=1S/C10H15ClO/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3"	"VNTCVNLNEOVBEE-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"143-08-8"	"DTXSID6022008"	"1-Nonanol"	"EPA_DSSTox"	"CCCCCCCCCO"	"?"	"InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3"	"ZWRUINPWMLAQRD-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"143-13-5"	"DTXSID4047123"	"Nonyl acetate"	"EPA_DSSTox"	"CCCCCCCCCOC(C)=O"	"?"	"InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3-10H2,1-2H3"	"GJQIMXVRFNLMTB-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"143-15-7"	"DTXSID2044395"	"1-Bromododecane"	"EPA_DSSTox"	"CCCCCCCCCCCCBr"	"?"	"InChI=1S/C12H25Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3"	"PBLNBZIONSLZBU-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"143-22-6"	"DTXSID7021520"	"2-[2-(2-Butoxyethoxy)ethoxy]ethanol"	"EPA_DSSTox"	"CCCCOCCOCCOCCO"	"?"	"InChI=1S/C10H22O4/c1-2-3-5-12-7-9-14-10-8-13-6-4-11/h11H,2-10H2,1H3"	"COBPKKZHLDDMTB-UHFFFAOYSA-N"	FALSE	TRUE	5300	4	5
"143-23-7"	"DTXSID4027109"	"N-(6-Aminohexyl)hexane-1,6-diamine"	"EPA_DSSTox"	"NCCCCCCNCCCCCCN"	"?"	"InChI=1S/C12H29N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h15H,1-14H2"	"MRNZSTMRDWRNNR-UHFFFAOYSA-N"	FALSE	FALSE	450	2	4
"143-24-8"	"DTXSID7044396"	"2,5,8,11,14-Pentaoxapentadecane"	"EPA_DSSTox"	"COCCOCCOCCOCCOC"	"?"	"InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3"	"ZUHZGEOKBKGPSW-UHFFFAOYSA-N"	FALSE	TRUE	3850	3	5
"143-33-9"	"DTXSID4024309"	"Sodium cyanide"	"EPA_DSSTox"	"C#N"	"[Na+]"	"InChI=1S/CHN/c1-2/h1H"	"LELOWRISYMNNSU-UHFFFAOYSA-N"	TRUE	FALSE	6.44	1	2
"143-66-8"	"DTXSID2059728"	"Borate(1-), tetraphenyl-, sodium"	"EPA_DSSTox"	"C1=CC=CC=C1[B-](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1"	"[Na+]"	"InChI=1S/C24H20B/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q-1"	"SVHQOIWIRUVWII-UHFFFAOYSA-N"	FALSE	FALSE	288	2	3
"143-98-6"	"DTXSID8048997"	"Dextrorphan tartrate"	"EPA_DSSTox"	"CN1CCC23CCCCC2C1CC1C=CC(O)=CC3=1"	"C([C@H](O)[C@H](C(O)=O)O)(O)=O"	"InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3"	"JAQUASYNZVUNQP-UHFFFAOYSA-N"	FALSE	FALSE	1100	3	4
"143201-11-0"	"DTXSID0046488"	"Cerivastatin sodium"	"EPA_DSSTox"	"CC(C)C1N=C(C(C)C)C(COC)=C(C=1C=CC(O)CC(O)CC(O)=O)C1C=CC(F)=CC=1"	"[Na+]"	"InChI=1S/C26H34FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32)"	"SEERZIQQUAZTOL-UHFFFAOYSA-N"	FALSE	FALSE	416	2	4
"143314-16-3"	"DTXSID2049218"	"1-Ethyl-3-methylimidazolium tetrafluoroborate"	"EPA_DSSTox"	"CCN1C=[N+](C)C=C1"	"[B-](F)(F)(F)F"	"InChI=1S/C6H11N2/c1-3-8-5-4-7(2)6-8/h4-6H,3H2,1-2H3/q+1"	"NJMWOUFKYKNWDW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"14334-41-9"	"DTXSID60162395"	"Pramiverin hydrochloride"	"EPA_DSSTox"	"CC(C)NC1CCC(CC1)(C1=CC=CC=C1)C1=CC=CC=C1"	"Cl"	"InChI=1S/C21H27N/c1-17(2)22-20-13-15-21(16-14-20,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20,22H,13-16H2,1-2H3"	"SBEOBYJLAQKTQX-UHFFFAOYSA-N"	FALSE	FALSE	623	3	4
"14338-82-0"	"DTXSID2065755"	"Acetic acid, 2,2'-[methylenebis(thio)]bis-, dibutyl ester"	"EPA_DSSTox"	"CCCCOC(=O)CSCSCC(=O)OCCCC"	"?"	"InChI=1S/C13H24O4S2/c1-3-5-7-16-12(14)9-18-11-19-10-13(15)17-8-6-4-2/h3-11H2,1-2H3"	"QCWRDNFBMVSDEY-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"143390-89-0"	"DTXSID2032558"	"Kresoxim-methyl"	"EPA_DSSTox"	"CC1C=CC=CC=1OCC1C=CC=CC=1C(=NOC)C(=O)OC"	"?"	"InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3"	"ZOTBXTZVPHCKPN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"143418-49-9"	"DTXSID60370438"	"3,4,5-Trifluorophenylboronic acid"	"EPA_DSSTox"	"OB(O)C1=CC(F)=C(F)C(F)=C1"	"?"	"InChI=1S/C6H4BF3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,11-12H"	"UHDDEIOYXFXNNJ-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"1435-71-8"	"DTXSID6027399"	"Phenol, 4-methyl-2-[(2-nitrophenyl)azo]-"	"EPA_DSSTox"	"CC1=CC(N=NC2C=CC=CC=2[N+]([O-])=O)=C(O)C=C1"	"?"	"InChI=1S/C13H11N3O3/c1-9-6-7-13(17)11(8-9)15-14-10-4-2-3-5-12(10)16(18)19/h2-8,17H,1H3"	"DRPPFIRCBMBJCM-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"14352-61-5"	"DTXSID60162451"	"Methylcyclohexylacetate"	"EPA_DSSTox"	"COC(=O)CC1CCCCC1"	"?"	"InChI=1S/C9H16O2/c1-11-9(10)7-8-5-3-2-4-6-8/h8H,2-7H2,1H3"	"IMXBRVLCKXGWSS-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"14355-07-8"	NA	NA	"Public_CrossChecked"	"CCCCSC(=O)OC1C(=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O)C(C)CC"	"?"	"InChI=1S/C15H20N2O6S/c1-4-6-7-24-15(18)23-14-12(10(3)5-2)8-11(16(19)20)9-13(14)17(21)22/h8-10H,4-7H2,1-3H3"	"CZWKWVSHPUKOAT-UHFFFAOYSA-N"	FALSE	FALSE	147	2	3
"14355-12-5"	NA	NA	"Public_CrossChecked"	"CCC(C)C1=CC(=CC(=C1OC(=O)SCCC)[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C14H18N2O6S/c1-4-6-23-14(17)22-13-11(9(3)5-2)7-10(15(18)19)8-12(13)16(20)21/h7-9H,4-6H2,1-3H3"	"MFALETYLLPRSRG-UHFFFAOYSA-N"	FALSE	FALSE	584	3	4
"14358-50-0"	NA	NA	"Public_CrossChecked"	"COC1C=C(C=CC=1O)C(O)C(C)NC(C)COC1C=CC=CC=1"	"Cl"	"InChI=1S/C19H25NO4/c1-13(12-24-16-7-5-4-6-8-16)20-14(2)19(22)15-9-10-17(21)18(11-15)23-3/h4-11,13-14,19-22H,12H2,1-3H3"	"GOKWBHMWOQRAFZ-UHFFFAOYSA-N"	FALSE	FALSE	1280	3	4
"143692-40-4"	NA	NA	"Public_CrossChecked"	"CC(=O)N1N=C(C2C=C3OCOC3=CC=2CC1C)C1C=CC(N)=CC=1"	"Cl"	"InChI=1S/C19H19N3O3/c1-11-7-14-8-17-18(25-10-24-17)9-16(14)19(21-22(11)12(2)23)13-3-5-15(20)6-4-13/h3-6,8-9,11H,7,10,20H2,1-2H3"	"JACAAXNEHGBPOQ-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"143692-53-9"	NA	NA	"Public_CrossChecked"	"CC1CC2C=C3OCOC3=CC=2C(=NN1C(C)=O)C1C=CC(=CC=1)NC(C)=O"	"?"	"InChI=1S/C21H21N3O4/c1-12-8-16-9-19-20(28-11-27-19)10-18(16)21(23-24(12)14(3)26)15-4-6-17(7-5-15)22-13(2)25/h4-7,9-10,12H,8,11H2,1-3H3,(H,22,25)"	"RNJAHAXIBIIAHU-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"14370-50-4"	NA	NA	"Public_CrossChecked"	"NCC1CC2CC1CC2"	"?"	"InChI=1S/C8H15N/c9-5-8-4-6-1-2-7(8)3-6/h6-8H,1-5,9H2"	"HWMZHVLJBQTGOL-UHFFFAOYSA-N"	FALSE	FALSE	1410	3	4
"1438-20-6"	NA	NA	"Public_CrossChecked"	"O=C1CSC(=S)N1NC(=O)CC1=CNC2C=CC=CC1=2"	"?"	"InChI=1S/C13H11N3O2S2/c17-11(15-16-12(18)7-20-13(16)19)5-8-6-14-10-4-2-1-3-9(8)10/h1-4,6,14H,5,7H2,(H,15,17)"	"USWJQWKLIJDQOY-UHFFFAOYSA-N"	FALSE	FALSE	432	2	4
"144-12-7"	"DTXSID00875078"	"Tiemonium Iodide"	"EPA_DSSTox"	"C[N+]1(CCC(O)(C2=CC=CS2)C2C=CC=CC=2)CCOCC1"	"[I-]"	"InChI=1S/C18H24NO2S/c1-19(11-13-21-14-12-19)10-9-18(20,17-8-5-15-22-17)16-6-3-2-4-7-16/h2-8,15,20H,9-14H2,1H3/q+1"	"HJDYAOBDPZQHOD-UHFFFAOYSA-N"	FALSE	TRUE	2295	3	5
"144-19-4"	"DTXSID8027113"	"2,2,4-Trimethyl-1,3-pentanediol"	"EPA_DSSTox"	"CC(C)C(O)C(C)(C)CO"	"?"	"InChI=1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3"	"JCTXKRPTIMZBJT-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"144-39-8"	"DTXSID1047574"	"3,7-Dimethylocta-1,6-dien-3-yl propanoate"	"EPA_DSSTox"	"CC(C)=CCCC(C)(C=C)OC(=O)CC"	"?"	"InChI=1S/C13H22O2/c1-6-12(14)15-13(5,7-2)10-8-9-11(3)4/h7,9H,2,6,8,10H2,1,3-5H3"	"WAQIIHCCEMGYKP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"144-41-2"	"DTXSID9042172"	"Morphothion"	"EPA_DSSTox"	"COP(=S)(OC)SCC(=O)N1CCOCC1"	"?"	"InChI=1S/C8H16NO4PS2/c1-11-14(15,12-2)16-7-8(10)9-3-5-13-6-4-9/h3-7H2,1-2H3"	"NTHGWXIWFHGPLK-UHFFFAOYSA-N"	FALSE	FALSE	190	2	3
"144-49-0"	"DTXSID0041981"	"Fluoroacetic acid"	"EPA_DSSTox"	"OC(=O)CF"	"?"	"InChI=1S/C2H3FO2/c3-1-2(4)5/h1H2,(H,4,5)"	"QEWYKACRFQMRMB-UHFFFAOYSA-N"	TRUE	FALSE	4.68	1	1
"144-62-7"	"DTXSID0025816"	"Oxalic acid"	"EPA_DSSTox"	"OC(=O)C(O)=O"	"?"	"InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)"	"MUBZPKHOEPUJKR-UHFFFAOYSA-N"	FALSE	TRUE	7500	4	5
"144-82-1"	"DTXSID5023615"	"Sulfamethizole"	"EPA_DSSTox"	"CC1=NN=C(NS(=O)(=O)C2C=CC(N)=CC=2)S1"	"?"	"InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)"	"VACCAVUAMIDAGB-UHFFFAOYSA-N"	FALSE	TRUE	3500	3	5
"144077-07-6"	NA	NA	"Public_CrossChecked"	"COC(=O)C(C1C=CC=CC=1Cl)N1CC2C=CSC=2CC1"	"OS(=O)(=O)O"	"InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3"	"GKTWGGQPFAXNFI-UHFFFAOYSA-N"	FALSE	FALSE	1914	3	4
"14417-88-0"	"DTXSID9048809"	"Melinamide"	"EPA_DSSTox"	"CCCCCC=CCC=CCCCCCCCC(=O)NC(C)C1C=CC=CC=1"	"?"	"InChI=1S/C26H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(28)27-24(2)25-21-18-17-19-22-25/h7-8,10-11,17-19,21-22,24H,3-6,9,12-16,20,23H2,1-2H3,(H,27,28)"	"RWIUTHWKQHRQNP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"14419-01-3"	"DTXSID7042144"	"Methyl 2,3,5,6-tetrachloro-N-methoxy-N-methylterephthalamate"	"EPA_DSSTox"	"CN(OC)C(=O)C1C(Cl)=C(Cl)C(=C(Cl)C=1Cl)C(=O)OC"	"?"	"InChI=1S/C11H9Cl4NO4/c1-16(20-3)10(17)4-6(12)8(14)5(11(18)19-2)9(15)7(4)13/h1-3H3"	"CWOBGOXHYZMVNY-UHFFFAOYSA-N"	FALSE	FALSE	1170	3	4
"14433-76-2"	"DTXSID1027764"	"N,N-Dimethyldecanamide"	"EPA_DSSTox"	"CCCCCCCCCC(=O)N(C)C"	"?"	"InChI=1S/C12H25NO/c1-4-5-6-7-8-9-10-11-12(14)13(2)3/h4-11H2,1-3H3"	"HNXNKTMIVROLTK-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"14437-17-3"	"DTXSID5041770"	"Chlorfenprop-methyl"	"EPA_DSSTox"	"COC(=O)C(Cl)CC1=CC=C(Cl)C=C1"	"?"	"InChI=1S/C10H10Cl2O2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3"	"YJKIALIXRCSISK-UHFFFAOYSA-N"	FALSE	FALSE	1072	3	4
"1445-23-4"	"DTXSID00162733"	"3,4-Xylenol, 6-tert-butyl-"	"EPA_DSSTox"	"CC1=CC(=C(O)C=C1C)C(C)(C)C"	"?"	"InChI=1S/C12H18O/c1-8-6-10(12(3,4)5)11(13)7-9(8)2/h6-7,13H,1-5H3"	"GDGFDAKCWRGGHW-UHFFFAOYSA-N"	FALSE	FALSE	1030	3	4
"1445-75-6"	"DTXSID5024051"	"Diisopropyl methylphosphonate"	"EPA_DSSTox"	"CP(=O)(OC(C)C)OC(C)C"	"?"	"InChI=1S/C7H17O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-7H,1-5H3"	"WOAFDHWYKSOANX-UHFFFAOYSA-N"	FALSE	FALSE	826	3	4
"1445870-18-7"	NA	NA	"Public_CrossChecked"	"CC(CC(C)(C)C)CC(=O)OCCN1C(C)(C)CC(CC1(C)C)OC(=O)CC(C)CC(C)(C)C"	"?"	"InChI=1S/C29H55NO4/c1-21(17-26(3,4)5)15-24(31)33-14-13-30-28(9,10)19-23(20-29(30,11)12)34-25(32)16-22(2)18-27(6,7)8/h21-23H,13-20H2,1-12H3"	"HAFKWVXPFIPBEJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"144598-75-4"	"DTXSID7049059"	"Paliperidone"	"EPA_DSSTox"	"CC1N=C2C(O)CCCN2C(=O)C=1CCN1CCC(CC1)C1=NOC2C=C(F)C=CC=21"	"?"	"InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3"	"PMXMIIMHBWHSKN-UHFFFAOYSA-N"	FALSE	FALSE	65	2	3
"144651-06-9"	"DTXSID4034364"	"Oxasulfuron"	"EPA_DSSTox"	"CC1=CC(C)=NC(NC(=O)NS(=O)(=O)C2C=CC=CC=2C(=O)OC2COC2)=N1"	"?"	"InChI=1S/C17H18N4O6S/c1-10-7-11(2)19-16(18-10)20-17(23)21-28(24,25)14-6-4-3-5-13(14)15(22)27-12-8-26-9-12/h3-7,12H,8-9H2,1-2H3,(H2,18,19,20,21,23)"	"IOXAXYHXMLCCJJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"144740-53-4"	"DTXSID80162796"	"Flupyrsulfuron-methyl [ISO]"	"EPA_DSSTox"	"COC1C=C(N=C(NC(=O)NS(=O)(=O)C2=NC(=CC=C2C(=O)OC)C(F)(F)F)N=1)OC"	"?"	"InChI=1S/C15H14F3N5O7S/c1-28-9-6-10(29-2)21-13(20-9)22-14(25)23-31(26,27)11-7(12(24)30-3)4-5-8(19-11)15(16,17)18/h4-6H,1-3H3,(H2,20,21,22,23,25)"	"DTVOKYWXACGVGO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"14489-75-9"	"DTXSID00162834"	"N-Methyl-N-naphthylmethylamine"	"EPA_DSSTox"	"CNCC1=CC=CC2C=CC=CC=21"	"?"	"InChI=1S/C12H13N/c1-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8,13H,9H2,1H3"	"MQRIUFVBEVFILS-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"14491-59-9"	"DTXSID3074525"	"Pyridazine, 3-(2-methylphenoxy)-"	"EPA_DSSTox"	"CC1C=CC=CC=1OC1=CC=CN=N1"	"?"	"InChI=1S/C11H10N2O/c1-9-5-2-3-6-10(9)14-11-7-4-8-12-13-11/h2-8H,1H3"	"DNPSYFHJYIRREW-UHFFFAOYSA-N"	FALSE	TRUE	3090	3	5
"145-39-1"	"DTXSID9044582"	"1-tert-Butyl-3,4,5-trimethyl-2,6-dinitrobenzene"	"EPA_DSSTox"	"CC1C(=C(C(=C(C)C=1C)[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O"	"?"	"InChI=1S/C13H18N2O4/c1-7-8(2)11(14(16)17)10(13(4,5)6)12(9(7)3)15(18)19/h1-6H3"	"MINYPECWDZURGR-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"145-41-5"	"DTXSID00883335"	"Cholan-24-oic acid, 3,7,12-trioxo-, sodium salt, (5.beta.)-"	"EPA_DSSTox"	"CC(CCC(O)=O)C1CCC2C3C(CC(=O)C21C)C1(C)CCC(=O)CC1CC3=O"	"[Na+]"	"InChI=1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)"	"OHXPGWPVLFPUSM-UHFFFAOYSA-N"	FALSE	TRUE	3755	3	5
"145-73-3"	"DTXSID7024081"	"Endothal"	"EPA_DSSTox"	"OC(=O)C1C(C2CCC1O2)C(O)=O"	"?"	"InChI=1S/C8H10O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h3-6H,1-2H2,(H,9,10)(H,11,12)"	"GXEKYRXVRROBEV-UHFFFAOYSA-N"	TRUE	FALSE	38	1	2
"145022-45-3"	"DTXSID7049219"	"1-Ethyl-3-methylimidazolium methanesulfonate"	"EPA_DSSTox"	"CCN1C=[N+](C)C=C1"	"CS([O-])(=O)=O"	"InChI=1S/C6H11N2/c1-3-8-5-4-7(2)6-8/h4-6H,3H2,1-2H3/q+1"	"NJMWOUFKYKNWDW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"14504-15-5"	"DTXSID5020158"	"3-Benzylsydnone-4-acetamide"	"EPA_DSSTox"	"NC(=O)CC1=C(O)ON=[N+]1CC1C=CC=CC=1"	"?"	"InChI=1S/C11H11N3O3/c12-10(15)6-9-11(16)17-13-14(9)7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2-,12,13,15,16)/p+1"	"GPEINOHASDVYFS-UHFFFAOYSA-O"	FALSE	TRUE	4450	3	5
"14504-73-5"	NA	NA	"Public_CrossChecked"	"COC1=C2C(C3OC(=O)C4C(N)=C(OCC)C(OCC)=C(OCC)C=43)N(C)CCC2=CC2OCOC=21"	"?"	"InChI=1S/C26H32N2O8/c1-6-31-23-17-16(18(27)24(32-7-2)25(23)33-8-3)26(29)36-21(17)19-15-13(9-10-28(19)4)11-14-20(22(15)30-5)35-12-34-14/h11,19,21H,6-10,12,27H2,1-5H3"	"IRGJVQIJENCTQF-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"145040-37-5"	"DTXSID5020239"	"Candesartan cilexetil"	"EPA_DSSTox"	"CC(OC(=O)OC1CCCCC1)OC(=O)C1=CC=CC2N=C(OCC)N(CC3C=CC(=CC=3)C3=CC=CC=C3C3NN=NN=3)C=21"	"?"	"InChI=1S/C33H34N6O6/c1-3-42-32-34-28-15-9-14-27(31(40)43-21(2)44-33(41)45-24-10-5-4-6-11-24)29(28)39(32)20-22-16-18-23(19-17-22)25-12-7-8-13-26(25)30-35-37-38-36-30/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,35,36,37,38)"	"GHOSNRCGJFBJIB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"145071-30-3"	NA	NA	"Public_CrossChecked"	"CON=CC1CN(CCC=1)C(=O)OCC"	"?"	"InChI=1S/C10H16N2O3/c1-3-15-10(13)12-6-4-5-9(8-12)7-11-14-2/h5,7H,3-4,6,8H2,1-2H3"	"QLCOVBRPOYSITR-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"145071-49-4"	NA	NA	"Public_CrossChecked"	"CON=CC1CN(CCC=1)C(=O)OC1C=CC(=CC=1)C(C)C"	"?"	"InChI=1S/C17H22N2O3/c1-13(2)15-6-8-16(9-7-15)22-17(20)19-10-4-5-14(12-19)11-18-21-3/h5-9,11,13H,4,10,12H2,1-3H3"	"BCRQFJUSADVDQY-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"14520-53-7"	"DTXSID00162935"	"Benzamide, o-(allyloxy)- (6CI,7CI)"	"EPA_DSSTox"	"C=CCOC1C=CC=CC=1C(N)=O"	"?"	"InChI=1S/C10H11NO2/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h2-6H,1,7H2,(H2,11,12)"	"FZEIWORKISALCO-UHFFFAOYSA-N"	FALSE	FALSE	780	3	4
"14527-26-5"	NA	NA	"Public_CrossChecked"	"CSC(N)=N"	"[O-]S(=O)(=O)[O-]"	"InChI=1S/C2H6N2S/c1-5-2(3)4/h1H3,(H3,3,4)"	"SDDKIZNHOCEXTF-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"1453-58-3"	"DTXSID3073260"	"3-Methylpyrazole"	"EPA_DSSTox"	"CC1C=CNN=1"	"?"	"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)"	"XKVUYEYANWFIJX-UHFFFAOYSA-N"	FALSE	FALSE	710	3	4
"1455-42-1"	"DTXSID1075434"	"2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-diethanol, .beta.,.beta.,.beta.',.beta.'-tetramethyl-"	"EPA_DSSTox"	"CC(C)(CO)C1OCC2(CO1)COC(OC2)C(C)(C)CO"	"?"	"InChI=1S/C15H28O6/c1-13(2,5-16)11-18-7-15(8-19-11)9-20-12(21-10-15)14(3,4)6-17/h11-12,16-17H,5-10H2,1-4H3"	"BPZIYBJCZRUDEG-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"145650-60-8"	"DTXSID6051728"	"Bis(2,4-di-tert-butyl-6-methylphenyl)ethyl phosphite"	"EPA_DSSTox"	"CCOP(OC1C(=CC(=CC=1C)C(C)(C)C)C(C)(C)C)OC1C(=CC(=CC=1C)C(C)(C)C)C(C)(C)C"	"?"	"InChI=1S/C32H51O3P/c1-16-33-36(34-27-21(2)17-23(29(4,5)6)19-25(27)31(10,11)12)35-28-22(3)18-24(30(7,8)9)20-26(28)32(13,14)15/h17-20H,16H2,1-15H3"	"ZEFSGHVBJCEKAZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"145701-23-1"	"DTXSID7044340"	"Florasulam"	"EPA_DSSTox"	"COC1=NC=C(F)C2=NC(=NN21)S(=O)(=O)NC1C(F)=CC=CC=1F"	"?"	"InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3"	"QZXATCCPQKOEIH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1459-93-4"	"DTXSID8027402"	"Dimethyl isophthalate"	"EPA_DSSTox"	"COC(=O)C1=CC(=CC=C1)C(=O)OC"	"?"	"InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3"	"VNGOYPQMJFJDLV-UHFFFAOYSA-N"	FALSE	TRUE	4390	3	5
"146-22-5"	"DTXSID5023372"	"Nitrazepam"	"EPA_DSSTox"	"[O-][N+](=O)C1C=C2C(=NCC(=O)NC2=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)"	"KJONHKAYOJNZEC-UHFFFAOYSA-N"	FALSE	FALSE	825	3	4
"14605-22-2"	NA	NA	"Public_CrossChecked"	"CC(CCC(=O)NCCS(O)(=O)=O)C1CCC2C3C(CCC21C)C1(C)CCC(O)CC1CC3O"	"?"	"InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)"	"BHTRKEVKTKCXOH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"14628-06-9"	"DTXSID90163335"	"Carbamic acid, methyl-, (2-methyl-8-quinolyl) ester"	"EPA_DSSTox"	"CC1C=CC2C=CC=C(OC(=O)NC)C=2N=1"	"?"	"InChI=1S/C12H12N2O2/c1-8-6-7-9-4-3-5-10(11(9)14-8)16-12(15)13-2/h3-7H,1-2H3,(H,13,15)"	"VJTZIJOEPIURRT-UHFFFAOYSA-N"	FALSE	FALSE	120	2	3
"14631-45-9"	NA	NA	"Public_CrossChecked"	"CCOC(C)C#N"	"?"	"InChI=1S/C5H9NO/c1-3-7-5(2)4-6/h5H,3H2,1-2H3"	"SNJNVEVAILOJBB-UHFFFAOYSA-N"	FALSE	TRUE	2860	3	5
"1464-53-5"	"DTXSID0041307"	"2,2'-Bioxirane"	"EPA_DSSTox"	"C1OC1C1CO1"	"?"	"InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2"	"ZFIVKAOQEXOYFY-UHFFFAOYSA-N"	FALSE	FALSE	78	2	3
"1464-69-3"	"DTXSID00883678"	"2-Propenoic acid, 2-methyl-, 2-(ethenyloxy)ethyl ester"	"EPA_DSSTox"	"CC(=C)C(=O)OCCOC=C"	"?"	"InChI=1S/C8H12O3/c1-4-10-5-6-11-8(9)7(2)3/h4H,1-2,5-6H2,3H3"	"BSNJMDOYCPYHST-UHFFFAOYSA-N"	FALSE	TRUE	5940	4	5
"14641-96-4"	NA	NA	"Public_CrossChecked"	"CN1C2CC(CC1CC2)OC(=O)C(C)(CO)C1C=CC=CC=1"	"Cl"	"InChI=1S/C18H25NO3/c1-18(12-20,13-6-4-3-5-7-13)17(21)22-16-10-14-8-9-15(11-16)19(14)2/h3-7,14-16,20H,8-12H2,1-2H3"	"XZPAMMPYTOAFOU-UHFFFAOYSA-N"	FALSE	FALSE	1100	3	4
"1465-26-5"	NA	NA	"Public_CrossChecked"	"NC(CC1C=CC(=CC=1)N(CCCl)CCCl)C(O)=O"	"?"	"InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)"	"SGDBTWWWUNNDEQ-UHFFFAOYSA-N"	FALSE	FALSE	52	2	3
"14652-09-6"	NA	NA	"Public_CrossChecked"	"C[N+](C)(N)CCBr"	"?"	"InChI=1S/C4H12BrN2/c1-7(2,6)4-3-5/h3-4,6H2,1-2H3/q+1"	"VBYQCLJVDURWBH-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"1466-82-6"	"DTXSID90163416"	"Acetylsalicylic anhydride"	"EPA_DSSTox"	"CC(=O)OC1C=CC=CC=1C(=O)OC(=O)C1C=CC=CC=1OC(C)=O"	"?"	"InChI=1S/C18H14O7/c1-11(19)23-15-9-5-3-7-13(15)17(21)25-18(22)14-8-4-6-10-16(14)24-12(2)20/h3-10H,1-2H3"	"OAWXYINGQXLWOE-UHFFFAOYSA-N"	FALSE	TRUE	2200	3	5
"14663-23-1"	"DTXSID4044585"	"Dantrolene sodium"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC(=CC=1)C1=CC=C(C=NN2CC(=O)NC2=O)O1"	"[Na+]"	"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)"	"OZOMQRBLCMDCEG-UHFFFAOYSA-N"	FALSE	TRUE	7432	4	5
"14663-66-2"	NA	NA	"Public_CrossChecked"	"Cc1c(Cl)c(=O)oc2cc(ccc12)OP(=O)(OCCCC)OCCCC"	"?"	"InChI=1S/C18H24ClO6P/c1-4-6-10-22-26(21,23-11-7-5-2)25-14-8-9-15-13(3)17(19)18(20)24-16(15)12-14/h8-9,12H,4-7,10-11H2,1-3H3"	"MZJWBPPRJLFUOG-UHFFFAOYSA-N"	FALSE	FALSE	63	2	3
"14663-67-3"	NA	NA	"Public_CrossChecked"	"Cc1c(Cl)c(=O)oc2cc(ccc12)OP(=O)(OCCC)OCCC"	"?"	"InChI=1S/C16H20ClO6P/c1-4-8-20-24(19,21-9-5-2)23-12-6-7-13-11(3)15(17)16(18)22-14(13)10-12/h6-7,10H,4-5,8-9H2,1-3H3"	"HJZUCUDWNHJSKD-UHFFFAOYSA-N"	FALSE	FALSE	80	2	3
"14663-71-9"	"DTXSID00163427"	"Phosphoric acid, bis(3-chloropropyl) p-nitrophenyl ester"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC(=CC=1)OP(=O)(OCCCCl)OCCCCl"	"?"	"InChI=1S/C12H16Cl2NO6P/c13-7-1-9-19-22(18,20-10-2-8-14)21-12-5-3-11(4-6-12)15(16)17/h3-6H,1-2,7-10H2"	"GNBHORGCHRXVMA-UHFFFAOYSA-N"	TRUE	FALSE	33	1	2
"14663-72-0"	NA	NA	"Public_CrossChecked"	"CC(Cl)COP(=O)(OC1C=CC(=CC=1)[N+]([O-])=O)OCC(C)Cl"	"?"	"InChI=1S/C12H16Cl2NO6P/c1-9(13)7-19-22(18,20-8-10(2)14)21-12-5-3-11(4-6-12)15(16)17/h3-6,9-10H,7-8H2,1-2H3"	"LUKRJGLWDCRJHZ-UHFFFAOYSA-N"	FALSE	FALSE	173	2	3
"14667-55-1"	"DTXSID1047075"	"2,3,5-Trimethylpyrazine"	"EPA_DSSTox"	"CC1=NC=C(C)N=C1C"	"?"	"InChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3"	"IAEGWXHKWJGQAZ-UHFFFAOYSA-N"	FALSE	FALSE	806	3	4
"1467-79-4"	"DTXSID9025116"	"Dimethyl cyanamide"	"EPA_DSSTox"	"CN(C)C#N"	"?"	"InChI=1S/C3H6N2/c1-5(2)3-4/h1-2H3"	"OAGOUCJGXNLJNL-UHFFFAOYSA-N"	FALSE	FALSE	146	2	3
"146764-26-3"	"DTXSID90163471"	"Octadecyl-(2-(N-methylpiperidino)ethyl)phosphate"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCCOP(O)(=O)OCC[N+]1(C)CCCCC1"	"?"	"InChI=1S/C26H54NO4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-30-32(28,29)31-26-24-27(2)22-19-18-20-23-27/h3-26H2,1-2H3/p+1"	"CUQJLYFFQBHUGW-UHFFFAOYSA-O"	FALSE	FALSE	631	3	4
"14679-73-3"	"DTXSID0045048"	"Todralazine"	"EPA_DSSTox"	"CCOC(=O)NNC1N=NC=C2C=CC=CC2=1"	"?"	"InChI=1S/C11H12N4O2/c1-2-17-11(16)15-14-10-9-6-4-3-5-8(9)7-12-13-10/h3-7H,2H2,1H3,(H,13,14)(H,15,16)"	"WGZDBVOTUVNQFP-UHFFFAOYSA-N"	FALSE	FALSE	318	2	4
"14689-51-1"	"DTXSID90163532"	"Benzimidazole, 4-nitro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC=CC2NC(=NC=21)C(F)(F)F"	"?"	"InChI=1S/C8H4F3N3O2/c9-8(10,11)7-12-4-2-1-3-5(14(15)16)6(4)13-7/h1-3H,(H,12,13)"	"XHHVZQKTSKYLQH-UHFFFAOYSA-N"	TRUE	FALSE	10.565	1	2
"14689-56-6"	"DTXSID50163533"	"Benzimidazole, 5,7-dibromo-4,6-dichloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1NC2C(N=1)=C(Cl)C(Br)=C(Cl)C=2Br"	"?"	"InChI=1S/C8HBr2Cl2F3N2/c9-1-3(11)2(10)5-6(4(1)12)17-7(16-5)8(13,14)15/h(H,16,17)"	"VYRZGLSGEVIAMJ-UHFFFAOYSA-N"	TRUE	FALSE	3.434	1	1
"14689-57-7"	"DTXSID10163534"	"Benzimidazole, 4,6-diiodo-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1NC2=CC(I)=CC(I)=C2N=1"	"?"	"InChI=1S/C8H3F3I2N2/c9-8(10,11)7-14-5-2-3(12)1-4(13)6(5)15-7/h1-2H,(H,14,15)"	"FRJLBIMJFWZACZ-UHFFFAOYSA-N"	TRUE	FALSE	30	1	2
"14689-58-8"	"DTXSID70163535"	"Benzimidazole, 5-bromo-4-nitro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"[O-][N+](=O)C1C(Br)=CC=C2NC(=NC2=1)C(F)(F)F"	"?"	"InChI=1S/C8H3BrF3N3O2/c9-3-1-2-4-5(6(3)15(16)17)14-7(13-4)8(10,11)12/h1-2H,(H,13,14)"	"YFYACJUPYYEJMJ-UHFFFAOYSA-N"	TRUE	FALSE	13.533	1	2
"14689-59-9"	"DTXSID30163536"	"Benzimidazole, 5,6-dibromo-4,7-dichloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1NC2=C(N=1)C(Cl)=C(Br)C(Br)=C2Cl"	"?"	"InChI=1S/C8HBr2Cl2F3N2/c9-1-2(10)4(12)6-5(3(1)11)16-7(17-6)8(13,14)15/h(H,16,17)"	"JCYBSTOMRNBAFK-UHFFFAOYSA-N"	TRUE	FALSE	3.434	1	1
"14689-97-5"	"DTXSID50163538"	"Acetaldehyde, bis(2-chloroethyl) acetal (6CI,7CI,8CI)"	"EPA_DSSTox"	"CC(OCCCl)OCCCl"	"?"	"InChI=1S/C6H12Cl2O2/c1-6(9-4-2-7)10-5-3-8/h6H,2-5H2,1H3"	"KHNOWHUSVXGGLG-UHFFFAOYSA-N"	FALSE	FALSE	310	2	4
"14697-46-2"	NA	NA	"Public_CrossChecked"	"OCCCC(O)CO"	"?"	"InChI=1S/C5H12O3/c6-3-1-2-5(8)4-7/h5-8H,1-4H2"	"WEAYWASEBDOLRG-UHFFFAOYSA-N"	FALSE	TRUE	7800	4	5
"14698-29-4"	"DTXSID1021089"	"Oxolinic acid"	"EPA_DSSTox"	"CCN1C=C(C(=O)C2C=C3OCOC3=CC1=2)C(O)=O"	"?"	"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"	FALSE	FALSE	525	3	4
"147-24-0"	"DTXSID4020537"	"Diphenhydramine hydrochloride"	"EPA_DSSTox"	"CN(C)CCOC(C1C=CC=CC=1)C1C=CC=CC=1"	"Cl"	"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"	FALSE	FALSE	500	2	4
"147-47-7"	"DTXSID0025070"	"1,2-Dihydro-2,2,4-trimethylquinoline"	"EPA_DSSTox"	"CC1=CC(C)(C)NC2C=CC=CC1=2"	"?"	"InChI=1S/C12H15N/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-8,13H,1-3H3"	"ZNRLMGFXSPUZNR-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"147-61-5"	"DTXSID20163560"	"Pentoxyl"	"EPA_DSSTox"	"CC1NC(=O)NC(=O)C=1CO"	"?"	"InChI=1S/C6H8N2O3/c1-3-4(2-9)5(10)8-6(11)7-3/h9H,2H2,1H3,(H2,7,8,10,11)"	"XBAVGYMDOXCWQU-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"147-84-2"	"DTXSID3045017"	"Ditiocarb"	"EPA_DSSTox"	"CCN(CC)C(S)=S"	"?"	"InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)"	"LMBWSYZSUOEYSN-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"1470-35-5"	NA	NA	"Public_CrossChecked"	"O=C1C(C2C=CC=CC=2)C(=O)C2C=C(Br)C=CC1=2"	"?"	"InChI=1S/C15H9BrO2/c16-10-6-7-11-12(8-10)15(18)13(14(11)17)9-4-2-1-3-5-9/h1-8,13H"	"QFLZIWVSQDZLNW-UHFFFAOYSA-N"	FALSE	FALSE	150	2	3
"1470-37-7"	NA	NA	"Public_CrossChecked"	"O=C1C(C2C=CC=CC=2)C(=O)C2C(Br)=CC=CC1=2"	"?"	"InChI=1S/C15H9BrO2/c16-11-8-4-7-10-13(11)15(18)12(14(10)17)9-5-2-1-3-6-9/h1-8,12H"	"XBAPWQXUHHXVQL-UHFFFAOYSA-N"	FALSE	FALSE	745	3	4
"1470-94-6"	"DTXSID0051732"	"Indan-5-ol"	"EPA_DSSTox"	"OC1=CC2CCCC=2C=C1"	"?"	"InChI=1S/C9H10O/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6,10H,1-3H2"	"PEHSSTUGJUBZBI-UHFFFAOYSA-N"	FALSE	TRUE	3250	3	5
"1471-51-8"	"DTXSID90163592"	"1,3-Propanediol, 2-butyl-2-ethyl-, dicarbamate"	"EPA_DSSTox"	"CCCCC(COC(N)=O)(COC(N)=O)CC"	"?"	"InChI=1S/C11H22N2O4/c1-3-5-6-11(4-2,7-16-9(12)14)8-17-10(13)15/h3-8H2,1-2H3,(H2,12,14)(H2,13,15)"	"OAUQNCDVPLLEAH-UHFFFAOYSA-N"	FALSE	FALSE	662	3	4
"1471-52-9"	"DTXSID50163593"	"1,3-Propanediol, 2,2-dimethyl-, dicarbamate"	"EPA_DSSTox"	"CC(C)(COC(N)=O)COC(N)=O"	"?"	"InChI=1S/C7H14N2O4/c1-7(2,3-12-5(8)10)4-13-6(9)11/h3-4H2,1-2H3,(H2,8,10)(H2,9,11)"	"NTJIXQIWOUPKIF-UHFFFAOYSA-N"	FALSE	TRUE	2508	3	5
"147126-62-3"	NA	NA	"Public_CrossChecked"	"CC(C)C1CCC(C)CC1OC(=O)C1OC(O)CS1"	"?"	"InChI=1S/C14H24O4S/c1-8(2)10-5-4-9(3)6-11(10)17-13(16)14-18-12(15)7-19-14/h8-12,14-15H,4-7H2,1-3H3"	"KXKDZLRTIFHOHW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"147150-35-4"	"DTXSID8034372"	"Cloransulam-methyl"	"EPA_DSSTox"	"COC(=O)C1C=CC=C(Cl)C=1NS(=O)(=O)C1N=C2C=C(F)N=C(OCC)N2N=1"	"?"	"InChI=1S/C15H13ClFN5O5S/c1-3-27-15-18-10(17)7-11-19-14(20-22(11)15)28(24,25)21-12-8(13(23)26-2)5-4-6-9(12)16/h4-7,21H,3H2,1-2H3"	"BIKACRYIQSLICJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"147160-51-8"	"DTXSID60163600"	"1H-Pyrazole-1-carboxamide, N,N'-1,6-hexanediylbis(3(or 5)-methyl-"	"EPA_DSSTox"	"CC1C=CN(N=1)C(=O)NCCCCCCNC(=O)N1C=CC(C)=N1"	"?"	"InChI=1S/C16H24N6O2/c1-13-7-11-21(19-13)15(23)17-9-5-3-4-6-10-18-16(24)22-12-8-14(2)20-22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,17,23)(H,18,24)"	"XSBHTRGQLMDQHV-UHFFFAOYSA-N"	FALSE	TRUE	4850	3	5
"147160-52-9"	"DTXSID20163601"	"1H-Pyrazole-1-carboxamide, N,N'-1,4-butanediylbis(3(or 5)-methyl-"	"EPA_DSSTox"	"CC1C=CN(N=1)C(=O)NCCCCNC(=O)N1C=CC(C)=N1"	"?"	"InChI=1S/C14H20N6O2/c1-11-5-9-19(17-11)13(21)15-7-3-4-8-16-14(22)20-10-6-12(2)18-20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,15,21)(H,16,22)"	"WJIOHMVWGVGWJW-UHFFFAOYSA-N"	FALSE	TRUE	4600	3	5
"14731-78-3"	NA	NA	"Public_CrossChecked"	"CCOC(=O)C=CC1C=CC2OCOC=2C=1"	"?"	"InChI=1S/C12H12O4/c1-2-14-12(13)6-4-9-3-5-10-11(7-9)16-8-15-10/h3-7H,2,8H2,1H3"	"PTMOFMXIIKUMTA-UHFFFAOYSA-N"	FALSE	FALSE	948	3	4
"147315-50-2"	"DTXSID4051299"	"2-(4,6-Diphenyl-s-triazin-2-yl)-5-hexyloxyphenol"	"EPA_DSSTox"	"CCCCCCOC1=CC(O)=C(C=C1)C1N=C(N=C(N=1)C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C27H27N3O2/c1-2-3-4-11-18-32-22-16-17-23(24(31)19-22)27-29-25(20-12-7-5-8-13-20)28-26(30-27)21-14-9-6-10-15-21/h5-10,12-17,19,31H,2-4,11,18H2,1H3"	"LEVFXWNQQSSNAC-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"14733-73-4"	"DTXSID50163679"	"2-Benzoxazolinone, 5-bromo-"	"EPA_DSSTox"	"O=C1NC2C=C(Br)C=CC=2O1"	"?"	"InChI=1S/C7H4BrNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)"	"DMHTZWJRUUOALC-UHFFFAOYSA-N"	FALSE	FALSE	1050	3	4
"14733-77-8"	"DTXSID80163682"	"2-Benzoxazolinone, 5-amino-"	"EPA_DSSTox"	"NC1=CC2NC(=O)OC=2C=C1"	"?"	"InChI=1S/C7H6N2O2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,8H2,(H,9,10)"	"GJXXUHGUCBUXSL-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"14734-96-4"	NA	NA	"Public_CrossChecked"	"CCOP(=O)(OCC)SCSC1C=C(Cl)C=CC=1Cl"	"?"	"InChI=1S/C11H15Cl2O3PS2/c1-3-15-17(14,16-4-2)19-8-18-11-7-9(12)5-6-10(11)13/h5-7H,3-4,8H2,1-2H3"	"XMAFPZUDTPVTRC-UHFFFAOYSA-N"	TRUE	FALSE	38	1	2
"14736-30-2"	NA	NA	"Public_CrossChecked"	"CCc1cc(=O)c2ccccc2o1"	"?"	"InChI=1S/C11H10O2/c1-2-8-7-10(12)9-5-3-4-6-11(9)13-8/h3-7H,2H2,1H3"	"KTVKQTNGWVJHFL-UHFFFAOYSA-N"	FALSE	FALSE	1400	3	4
"1474-80-2"	"DTXSID7074535"	"P,P-Diamidodiphosphoric acid, N,N,N',N'-tetramethyl-, diethyl ester"	"EPA_DSSTox"	"CN(C)P(=O)(OP(=O)(OCC)OCC)N(C)C"	"?"	"InChI=1S/C8H22N2O5P2/c1-7-13-17(12,14-8-2)15-16(11,9(3)4)10(5)6/h7-8H2,1-6H3"	"AOZOQYULWUHLSQ-UHFFFAOYSA-N"	TRUE	FALSE	3.8	1	1
"14745-61-0"	"DTXSID80163723"	"Coumarin, 3-chloro-7-hydroxy-4-methyl-, bis(4-chlorobutyl)phosphate"	"EPA_DSSTox"	"CC1=C(Cl)C(=O)OC2C=C(C=CC=21)OP(=O)(OCCCCCl)OCCCCCl"	"?"	"InChI=1S/C18H22Cl3O6P/c1-13-15-7-6-14(12-16(15)26-18(22)17(13)21)27-28(23,24-10-4-2-8-19)25-11-5-3-9-20/h6-7,12H,2-5,8-11H2,1H3"	"MPSBJALJTVPVHN-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"14759-04-7"	NA	NA	"Public_CrossChecked"	"CN1CCCCC1CCN1C2=CC(=CC=C2SC2C=CC=CC1=2)OC"	"?"	"InChI=1S/C21H26N2OS/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3"	"QOJDAWZHQLNKDR-UHFFFAOYSA-N"	FALSE	FALSE	1130	3	4
"14759-05-8"	NA	NA	"Public_CrossChecked"	"CN1CCCCC1CCN1C2C=C(C=CC=2SC2C=CC=CC1=2)OC(C)C"	"?"	"InChI=1S/C23H30N2OS/c1-17(2)26-19-11-12-23-21(16-19)25(20-9-4-5-10-22(20)27-23)15-13-18-8-6-7-14-24(18)3/h4-5,9-12,16-18H,6-8,13-15H2,1-3H3"	"ZDRKGFWEZAYCKH-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1476-98-8"	NA	NA	"Public_CrossChecked"	"CCC1CN2CCC1CC2C(O)C1C=CN=C2C=CC(=CC=12)OC"	"Cl"	"InChI=1S/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3"	"LJOQGZACKSYWCH-UHFFFAOYSA-N"	FALSE	FALSE	369	2	4
"14763-60-1"	"DTXSID80163763"	"4-Hydroxyphenyl methyl sulfone"	"EPA_DSSTox"	"CS(=O)(=O)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C7H8O3S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5,8H,1H3"	"KECCFSZFXLAGJS-UHFFFAOYSA-N"	FALSE	TRUE	3160	3	5
"14763-62-3"	"DTXSID4041496"	"4-(Methylsulfonyl)-3,5-xylenol"	"EPA_DSSTox"	"CC1C=C(O)C=C(C)C=1S(C)(=O)=O"	"?"	"InChI=1S/C9H12O3S/c1-6-4-8(10)5-7(2)9(6)13(3,11)12/h4-5,10H,1-3H3"	"GRBGKIGVRUXTSK-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"14765-30-1"	"DTXSID4041818"	"2-sec-Butylcyclohexanone"	"EPA_DSSTox"	"CC(CC)C1CCCCC1=O"	"?"	"InChI=1S/C10H18O/c1-3-8(2)9-6-4-5-7-10(9)11/h8-9H,3-7H2,1-2H3"	"RQXTZKGDMNIWJF-UHFFFAOYSA-N"	FALSE	TRUE	2400	3	5
"14769-73-4"	"DTXSID4023206"	"Levamisole"	"EPA_DSSTox"	"C1C(N=C2SCCN21)C1C=CC=CC=1"	"?"	"InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2"	"HLFSDGLLUJUHTE-UHFFFAOYSA-N"	FALSE	FALSE	480	2	4
"1477-19-6"	"DTXSID2061721"	"Methanone, (2-ethyl-3-benzofuranyl)(4-hydroxyphenyl)-"	"EPA_DSSTox"	"CCC1OC2C=CC=CC=2C=1C(=O)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C17H14O3/c1-2-14-16(13-5-3-4-6-15(13)20-14)17(19)11-7-9-12(18)10-8-11/h3-10,18H,2H2,1H3"	"RFRXIWQYSOIBDI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1477-79-8"	NA	NA	"Public_CrossChecked"	"CC1C=CC=CC=1C(O)(C(C)CN(C)C)C1C=CC=CC=1"	"Cl"	"InChI=1S/C19H25NO/c1-15-10-8-9-13-18(15)19(21,16(2)14-20(3)4)17-11-6-5-7-12-17/h5-13,16,21H,14H2,1-4H3"	"LCYZTFHPPZFVSC-UHFFFAOYSA-N"	FALSE	FALSE	185	2	3
"1478-61-1"	"DTXSID7037717"	"Bisphenol AF"	"EPA_DSSTox"	"OC1C=CC(=CC=1)C(C1C=CC(O)=CC=1)(C(F)(F)F)C(F)(F)F"	"?"	"InChI=1S/C15H10F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H"	"ZFVMWEVVKGLCIJ-UHFFFAOYSA-N"	FALSE	TRUE	3400	3	5
"14788-97-7"	NA	NA	"Public_CrossChecked"	"O=S(C(Cl)C(Cl)Cl)C(Cl)C(Cl)Cl"	"?"	"InChI=1S/C4H4Cl6OS/c5-1(6)3(9)12(11)4(10)2(7)8/h1-4H"	"VAVXWXRPWYSVME-UHFFFAOYSA-N"	FALSE	FALSE	75	2	3
"148-01-6"	"DTXSID6042521"	"Zoalene"	"EPA_DSSTox"	"CC1C(=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O)C(N)=O"	"?"	"InChI=1S/C8H7N3O5/c1-4-6(8(9)12)2-5(10(13)14)3-7(4)11(15)16/h2-3H,1H3,(H2,9,12)"	"ZEFNOZRLAWVAQF-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"148-18-5"	"DTXSID3022956"	"Sodium diethyldithiocarbamate"	"EPA_DSSTox"	"CCN(CC)C(S)=S"	"[Na+]"	"InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)"	"LMBWSYZSUOEYSN-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"148-24-3"	"DTXSID5020730"	"8-Hydroxyquinoline"	"EPA_DSSTox"	"OC1=CC=CC2C=CC=NC=21"	"?"	"InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H"	"MCJGNVYPOGVAJF-UHFFFAOYSA-N"	FALSE	FALSE	1200	3	4
"148-69-6"	"DTXSID5051735"	"3-(Ethyl(3-methylphenyl)amino)propanenitrile"	"EPA_DSSTox"	"CC1C=C(C=CC=1)N(CCC#N)CC"	"?"	"InChI=1S/C12H16N2/c1-3-14(9-5-8-13)12-7-4-6-11(2)10-12/h4,6-7,10H,3,5,9H2,1-2H3"	"NPCCPMHHNIOSHL-UHFFFAOYSA-N"	FALSE	TRUE	3710	3	5
"148-72-1"	"DTXSID80883277"	"2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S,4R)-, nitrate (1:1)"	"EPA_DSSTox"	"CCC1C(COC1=O)CC1=CN=CN1C"	"O[N+]([O-])=O"	"InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3"	"QCHFTSOMWOSFHM-UHFFFAOYSA-N"	FALSE	FALSE	911	3	4
"148-79-8"	"DTXSID0021337"	"Thiabendazole"	"EPA_DSSTox"	"C1=NC(=CS1)C1NC2C=CC=CC=2N=1"	"?"	"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"	FALSE	TRUE	2080	3	5
"148-82-3"	"DTXSID6020804"	"Melphalan"	"EPA_DSSTox"	"NC(CC1C=CC(=CC=1)N(CCCl)CCCl)C(O)=O"	"?"	"InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)"	"SGDBTWWWUNNDEQ-UHFFFAOYSA-N"	TRUE	FALSE	11.2	1	2
"148-97-0"	"DTXSID3047215"	"1-Hydroxy-2-oxo-1-phenylhydrazine"	"EPA_DSSTox"	"ON(N=O)C1C=CC=CC=1"	"?"	"InChI=1S/C6H6N2O2/c9-7-8(10)6-4-2-1-3-5-6/h1-5,10H"	"DAHPIMYBWVSMKQ-UHFFFAOYSA-N"	FALSE	FALSE	490	2	4
"14814-09-6"	"DTXSID7044479"	"3-(Triethoxysilyl)propane-1-thiol"	"EPA_DSSTox"	"CCO[Si](CCCS)(OCC)OCC"	"?"	"InChI=1S/C9H22O3SSi/c1-4-10-14(11-5-2,12-6-3)9-7-8-13/h13H,4-9H2,1-3H3"	"DCQBZYNUSLHVJC-UHFFFAOYSA-N"	FALSE	TRUE	6108	4	5
"14816-18-3"	"DTXSID8034324"	"Phoxim"	"EPA_DSSTox"	"CCOP(=S)(ON=C(C#N)C1C=CC=CC=1)OCC"	"?"	"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"	"ATROHALUCMTWTB-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"14816-20-7"	"DTXSID9057979"	"Chlorphoxim"	"EPA_DSSTox"	"CCOP(=S)(ON=C(C#N)C1=CC=CC=C1Cl)OCC"	"?"	"InChI=1S/C12H14ClN2O3PS/c1-3-16-19(20,17-4-2)18-15-12(9-14)10-7-5-6-8-11(10)13/h5-8H,3-4H2,1-2H3"	"GQKRUMZWUHSLJF-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"14817-09-5"	"DTXSID70163893"	"Decimemide"	"EPA_DSSTox"	"CCCCCCCCCCOC1C(=CC(=CC=1OC)C(N)=O)OC"	"?"	"InChI=1S/C19H31NO4/c1-4-5-6-7-8-9-10-11-12-24-18-16(22-2)13-15(19(20)21)14-17(18)23-3/h13-14H,4-12H2,1-3H3,(H2,20,21)"	"REYUZOLYIOQRIG-UHFFFAOYSA-N"	FALSE	FALSE	1650	3	4
"1483-72-3"	"DTXSID60883679"	"Iodonium, diphenyl-, chloride (1:1)"	"EPA_DSSTox"	"C1=CC=CC=C1[I+]C1C=CC=CC=1"	"[Cl-]"	"InChI=1S/C12H10I/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H/q+1"	"OZLBDYMWFAHSOQ-UHFFFAOYSA-N"	FALSE	FALSE	60	2	3
"14838-15-4"	"DTXSID4023466"	"Phenylpropanolamine"	"EPA_DSSTox"	"CC(N)C(O)C1C=CC=CC=1"	"?"	"InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3"	"DLNKOYKMWOXYQA-UHFFFAOYSA-N"	FALSE	FALSE	1490	3	4
"14845-06-8"	"DTXSID60163988"	"3,5-Pyrazolidinedione, 1,2-diphenyl-4-ethyl-"	"EPA_DSSTox"	"CCC1C(=O)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O"	"?"	"InChI=1S/C17H16N2O2/c1-2-15-16(20)18(13-9-5-3-6-10-13)19(17(15)21)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3"	"BZURJIFHGLBOSK-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"14845-08-0"	NA	NA	"Public_CrossChecked"	"CC(C)C1C(=O)N(C2=CC=CC=C2)N(C2=CC=C(O)C=C2)C1=O"	"?"	"InChI=1S/C18H18N2O3/c1-12(2)16-17(22)19(13-6-4-3-5-7-13)20(18(16)23)14-8-10-15(21)11-9-14/h3-12,16,21H,1-2H3"	"FUJCEKJBRZNYBQ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"148504-51-2"	"DTXSID10164001"	"Ripisartan"	"EPA_DSSTox"	"CC1=NC(CCC)=C(CC2C=CC(=CC=2)C2C=CC=CC=2C2N=NNN=2)C2=NC(=O)NN12"	"?"	"InChI=1S/C23H22N8O/c1-3-6-20-19(22-25-23(32)28-31(22)14(2)24-20)13-15-9-11-16(12-10-15)17-7-4-5-8-18(17)21-26-29-30-27-21/h4-5,7-12H,3,6,13H2,1-2H3,(H,28,32)(H,26,27,29,30)"	"OLJAPHMBAMBVKL-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"14852-17-6"	"DTXSID8065824"	"1,2-Ethanediamine, phosphate"	"EPA_DSSTox"	"OP(O)(O)=O"	"C(CN)N"	"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)"	"NBIIXXVUZAFLBC-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"14858-73-2"	NA	NA	"Public_CrossChecked"	"CCCCC(COC(=O)OCC(CCCC)CC)CC"	"?"	"InChI=1S/C17H34O3/c1-5-9-11-15(7-3)13-19-17(18)20-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3"	"PXTQQOLKZBLYDY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1486-39-1"	"DTXSID90164029"	"Phosphorotrithioic acid, S,S,S-triethyl ester"	"EPA_DSSTox"	"CCSP(=O)(SCC)SCC"	"?"	"InChI=1S/C6H15OPS3/c1-4-9-8(7,10-5-2)11-6-3/h4-6H2,1-3H3"	"QFMPBAKJJSEBRR-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"14860-53-8"	"DTXSID3029732"	"Phosphonic acid, (1-hydroxyethylidene)bis-, tetrapotassium salt"	"EPA_DSSTox"	"CC(O)(P(O)(O)=O)P(O)(O)=O"	"[K+].[K+].[K+].[K+]"	"InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)"	"DBVJJBKOTRCVKF-UHFFFAOYSA-N"	FALSE	FALSE	520	3	4
"14860-89-0"	"DTXSID40164034"	"Benzenemethanol, alpha,alpha-dimethyl-3-(1-methylethyl)- (9CI)"	"EPA_DSSTox"	"CC(C)(O)C1=CC(=CC=C1)C(C)C"	"?"	"InChI=1S/C12H18O/c1-9(2)10-6-5-7-11(8-10)12(3,4)13/h5-9,13H,1-4H3"	"GCFSLINNKUVOJH-UHFFFAOYSA-N"	FALSE	TRUE	6000	4	5
"14861-06-4"	NA	NA	"Public_CrossChecked"	"CC=CC(=O)OC=C"	"?"	"InChI=1S/C6H8O2/c1-3-5-6(7)8-4-2/h3-5H,2H2,1H3"	"IYNRVIKPUTZSOR-UHFFFAOYSA-N"	FALSE	TRUE	6500	4	5
"14863-40-2"	"DTXSID80164038"	"Benzimidazole, 6-chloro-5-methyl-2-(trifluoromethyl)-"	"EPA_DSSTox"	"CC1C=C2NC(=NC2=CC=1Cl)C(F)(F)F"	"?"	"InChI=1S/C9H6ClF3N2/c1-4-2-6-7(3-5(4)10)15-8(14-6)9(11,12)13/h2-3H,1H3,(H,14,15)"	"SOBDKTOQKNSWOS-UHFFFAOYSA-N"	FALSE	FALSE	55	2	3
"14863-50-4"	"DTXSID40164039"	"Benzimidazole, 4,6-dichloro-5,7-dinitro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"[O-][N+](=O)C1C(Cl)=C2N=C(NC2=C(C=1Cl)[N+]([O-])=O)C(F)(F)F"	"?"	"InChI=1S/C8HCl2F3N4O4/c9-1-3-4(15-7(14-3)8(11,12)13)6(17(20)21)2(10)5(1)16(18)19/h(H,14,15)"	"FKOIDCFHGAGTEE-UHFFFAOYSA-N"	FALSE	FALSE	117	2	3
"149-29-1"	"DTXSID2021101"	"Patulin"	"EPA_DSSTox"	"OC1OCC=C2OC(=O)C=C21"	"?"	"InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2"	"ZRWPUFFVAOMMNM-UHFFFAOYSA-N"	TRUE	FALSE	27.79	1	2
"149-30-4"	"DTXSID1020807"	"2-Mercaptobenzothiazole"	"EPA_DSSTox"	"SC1=NC2C=CC=CC=2S1"	"?"	"InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)"	"YXIWHUQXZSMYRE-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"149-32-6"	"DTXSID6043919"	"Erythritol"	"EPA_DSSTox"	"OC(CO)C(O)CO"	"?"	"InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2"	"UNXHWFMMPAWVPI-UHFFFAOYSA-N"	FALSE	TRUE	13100	4	5
"149-44-0"	"DTXSID7027120"	"Sodium hydroxymethanesulfinate"	"EPA_DSSTox"	"OCS(O)=O"	"[Na+]"	"InChI=1S/CH4O3S/c2-1-5(3)4/h2H,1H2,(H,3,4)"	"SBGKURINHGJRFN-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"149-57-5"	"DTXSID9025293"	"2-Ethylhexanoic acid"	"EPA_DSSTox"	"CCCCC(CC)C(O)=O"	"?"	"InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)"	"OBETXYAYXDNJHR-UHFFFAOYSA-N"	FALSE	TRUE	2043	3	5
"149-64-4"	"DTXSID1022718"	"Butylscopolammonium bromide"	"EPA_DSSTox"	"CCCC[N+]1(C)C2CC(CC1C1OC12)OC(=O)C(CO)C1C=CC=CC=1"	"[Br-]"	"InChI=1S/C21H30NO4/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14/h5-9,15-20,23H,3-4,10-13H2,1-2H3/q+1"	"YBCNXCRZPWQOBR-UHFFFAOYSA-N"	FALSE	FALSE	1040	3	4
"149-74-6"	"DTXSID6029173"	"Dichloromethylphenylsilane"	"EPA_DSSTox"	"C[Si](Cl)(Cl)C1C=CC=CC=1"	"?"	"InChI=1S/C7H8Cl2Si/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3"	"GNEPOXWQWFSSOU-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"1490-04-6"	"DTXSID8029650"	"Menthol"	"EPA_DSSTox"	"CC(C)C1CCC(C)CC1O"	"?"	"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3"	"NOOLISFMXDJSKH-UHFFFAOYSA-N"	FALSE	TRUE	2046	3	5
"14901-07-6"	"DTXSID9025451"	"4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one"	"EPA_DSSTox"	"CC1CCCC(C)(C)C=1C=CC(C)=O"	"?"	"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3"	"PSQYTAPXSHCGMF-UHFFFAOYSA-N"	FALSE	TRUE	4590	3	5
"14901-08-7"	"DTXSID2057574"	"Cycasin"	"EPA_DSSTox"	"C[N+]([O-])=NCOC1OC(CO)C(O)C(O)C1O"	"?"	"InChI=1S/C8H16N2O7/c1-10(15)9-3-16-8-7(14)6(13)5(12)4(2-11)17-8/h4-8,11-14H,2-3H2,1H3"	"YHLRMABUJXBLCK-UHFFFAOYSA-N"	FALSE	FALSE	270	2	3
"1491-41-4"	"DTXSID2042193"	"Naftalofos"	"EPA_DSSTox"	"CCOP(=O)(ON1C(=O)C2C=CC=C3C=CC=C(C3=2)C1=O)OCC"	"?"	"InChI=1S/C16H16NO6P/c1-3-21-24(20,22-4-2)23-17-15(18)12-9-5-7-11-8-6-10-13(14(11)12)16(17)19/h5-10H,3-4H2,1-2H3"	"QNSIFYWAPWSAIJ-UHFFFAOYSA-N"	FALSE	FALSE	70	2	3
"1491-59-4"	"DTXSID3040691"	"Oxymetazoline"	"EPA_DSSTox"	"CC1C(O)=C(C=C(C)C=1CC1NCCN=1)C(C)(C)C"	"?"	"InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)"	"WYWIFABBXFUGLM-UHFFFAOYSA-N"	TRUE	FALSE	0.8	1	1
"14919-77-8"	"DTXSID0045412"	"Benserazide hydrochloride"	"EPA_DSSTox"	"NC(CO)C(=O)NNCC1=CC=C(O)C(O)=C1O"	"Cl"	"InChI=1S/C10H15N3O5/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16/h1-2,6,12,14-17H,3-4,11H2,(H,13,18)"	"BNQDCRGUHNALGH-UHFFFAOYSA-N"	FALSE	TRUE	5300	4	5
"1492-02-0"	"DTXSID6023103"	"Glybuzole"	"EPA_DSSTox"	"CC(C)(C)C1=NN=C(NS(=O)(=O)C2C=CC=CC=2)S1"	"?"	"InChI=1S/C12H15N3O2S2/c1-12(2,3)10-13-14-11(18-10)15-19(16,17)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,14,15)"	"NMWQEPCLNXHPDX-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"14929-11-4"	"DTXSID8057647"	"Cholesolvin"	"EPA_DSSTox"	"CC(C)(OC1C=CC(Cl)=CC=1)C(=O)OCCCOC(=O)C(C)(C)OC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C23H26Cl2O6/c1-22(2,30-18-10-6-16(24)7-11-18)20(26)28-14-5-15-29-21(27)23(3,4)31-19-12-8-17(25)9-13-19/h6-13H,5,14-15H2,1-4H3"	"JLRNKCZRCMIVKA-UHFFFAOYSA-N"	FALSE	TRUE	7300	4	5
"1493-13-6"	"DTXSID2044397"	"Trifluoromethanesulfonic acid"	"EPA_DSSTox"	"OS(=O)(=O)C(F)(F)F"	"?"	"InChI=1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7)"	"ITMCEJHCFYSIIV-UHFFFAOYSA-N"	FALSE	FALSE	1605.3	3	4
"14938-42-2"	"DTXSID00164257"	"9,10-Anthraquinone-1,8-disulfonate dipotassium salt"	"EPA_DSSTox"	"OS(=O)(=O)C1=CC=CC2=C1C(=O)C1C(=CC=CC=1S(O)(=O)=O)C2=O"	"[K+].[K+]"	"InChI=1S/C14H8O8S2/c15-13-7-3-1-5-9(23(17,18)19)11(7)14(16)12-8(13)4-2-6-10(12)24(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22)"	"IJNPIHLZSZCGOC-UHFFFAOYSA-N"	FALSE	TRUE	15000	4	5
"149543-07-7"	NA	NA	"Public_CrossChecked"	"CCOC(=O)C1C(C(C(=O)OCCN2CCCCC2)C(C)=NC=1C)C1C=CC=C(C=1)[N+]([O-])=O"	"Cl"	"InChI=1S/C24H31N3O6/c1-4-32-23(28)20-16(2)25-17(3)21(22(20)18-9-8-10-19(15-18)27(30)31)24(29)33-14-13-26-11-6-5-7-12-26/h8-10,15,21-22H,4-7,11-14H2,1-3H3"	"WISXRBQDKZPIAN-UHFFFAOYSA-N"	FALSE	FALSE	363	2	4
"14959-86-5"	"DTXSID10884777"	"7-Dodecen-1-ol, acetate, (7Z)-"	"EPA_DSSTox"	"CCCCC=CCCCCCCOC(C)=O"	"?"	"InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h6-7H,3-5,8-13H2,1-2H3"	"MUZGQHWTRUVFLG-UHFFFAOYSA-N"	FALSE	TRUE	13430	4	5
"1496-94-2"	"DTXSID1061732"	"Phosphine oxide, tripropyl-"	"EPA_DSSTox"	"CCCP(=O)(CCC)CCC"	"?"	"InChI=1S/C9H21OP/c1-4-7-11(10,8-5-2)9-6-3/h4-9H2,1-3H3"	"SNZSAFILJOCMFM-UHFFFAOYSA-N"	FALSE	FALSE	1410	3	4
"14960-06-6"	"DTXSID7041207"	"beta-Alanine, N-(2-carboxyethyl)-N-dodecyl-, monosodium salt"	"EPA_DSSTox"	"CCCCCCCCCCCCN(CCC(O)=O)CCC(O)=O"	"[Na+]"	"InChI=1S/C18H35NO4/c1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17(20)21)16-13-18(22)23/h2-16H2,1H3,(H,20,21)(H,22,23)"	"XYYUAOIALFMRGY-UHFFFAOYSA-N"	FALSE	TRUE	31300	4	5
"1497-39-8"	NA	NA	"Public_CrossChecked"	"CCP(=S)(OC1C=CC(Cl)=CC=1)OCC"	"?"	"InChI=1S/C10H14ClO2PS/c1-3-12-14(15,4-2)13-10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3"	"JAHMRVWOLWTYID-UHFFFAOYSA-N"	FALSE	FALSE	95	2	3
"14974-71-1"	NA	NA	"Public_CrossChecked"	"C(SCC1CO1)C1CO1"	"?"	"InChI=1S/C6H10O2S/c1-5(7-1)3-9-4-6-2-8-6/h5-6H,1-4H2"	"WISUILQECWFZCN-UHFFFAOYSA-N"	TRUE	FALSE	32	1	2
"1498-51-7"	"DTXSID3027407"	"Ethyl dichlorophosphate"	"EPA_DSSTox"	"CCOP(=O)(Cl)Cl"	"?"	"InChI=1S/C2H5Cl2O2P/c1-2-6-7(3,4)5/h2H2,1H3"	"YZBOZNXACBQJHI-UHFFFAOYSA-N"	FALSE	FALSE	220	2	3
"1498-64-2"	"DTXSID6061733"	"O-Ethyl dichlorothiophosphate"	"EPA_DSSTox"	"CCOP(=S)(Cl)Cl"	"?"	"InChI=1S/C2H5Cl2OPS/c1-2-5-6(3,4)7/h2H2,1H3"	"SMODMOZAUKBGGM-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"14984-58-8"	"DTXSID20164411"	"Phosphoric acid, p-aminophenyl diethyl ester"	"EPA_DSSTox"	"CCOP(=O)(OC1C=CC(N)=CC=1)OCC"	"?"	"InChI=1S/C10H16NO4P/c1-3-13-16(12,14-4-2)15-10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3"	"BIZDCQFJAWUTAF-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"14984-68-0"	"DTXSID5045413"	"Cloperastine hydrochloride"	"EPA_DSSTox"	"ClC1C=CC(=CC=1)C(OCCN1CCCCC1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C20H24ClNO/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22/h1,3-4,7-12,20H,2,5-6,13-16H2"	"FLNXBVJLPJNOSI-UHFFFAOYSA-N"	FALSE	FALSE	1986	3	4
"149877-41-8"	"DTXSID5032525"	"Bifenazate"	"EPA_DSSTox"	"COC1=CC=C(C=C1NNC(=O)OC(C)C)C1C=CC=CC=1"	"?"	"InChI=1S/C17H20N2O3/c1-12(2)22-17(20)19-18-15-11-14(9-10-16(15)21-3)13-7-5-4-6-8-13/h4-12,18H,1-3H3,(H,19,20)"	"VHLKTXFWDRXILV-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"149961-52-4"	"DTXSID3057981"	"Dimoxystrobin"	"EPA_DSSTox"	"CON=C(C(=O)NC)C1=CC=CC=C1COC1=CC(C)=CC=C1C"	"?"	"InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)"	"WXUZAHCNPWONDH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"149968-48-9"	"DTXSID50772422"	"N-[3-(Dimethylamino)propyl]docos-13-enamide"	"EPA_DSSTox"	"CCCCCCCCC=CCCCCCCCCCCCC(=O)NCCCN(C)C"	"?"	"InChI=1S/C27H54N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(30)28-25-23-26-29(2)3/h11-12H,4-10,13-26H2,1-3H3,(H,28,30)"	"AOKZLBCDXJYXOK-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"149979-41-9"	"DTXSID7034252"	"Tepraloxydim"	"EPA_DSSTox"	"CCC(=NOCC=CCl)C1=C(O)CC(CC1=O)C1CCOCC1"	"?"	"InChI=1S/C17H24ClNO4/c1-2-14(19-23-7-3-6-18)17-15(20)10-13(11-16(17)21)12-4-8-22-9-5-12/h3,6,12-13,20H,2,4-5,7-11H2,1H3"	"IOYNQIMAUDJVEI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"150-19-6"	"DTXSID0022012"	"3-Methoxyphenol"	"EPA_DSSTox"	"COC1C=C(O)C=CC=1"	"?"	"InChI=1S/C7H8O2/c1-9-7-4-2-3-6(8)5-7/h2-5,8H,1H3"	"ASHGTJPOSUFTGB-UHFFFAOYSA-N"	FALSE	FALSE	597	3	4
"150-38-9"	"DTXSID7020556"	"Trisodium ethylenediaminetetraacetate"	"EPA_DSSTox"	"OC(=O)CN(CC(O)=O)CCN(CC(O)=O)CC(O)=O"	"[Na+].[Na+].[Na+]"	"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"	FALSE	TRUE	2150	3	5
"150-50-5"	"DTXSID6024173"	"Merphos"	"EPA_DSSTox"	"CCCCSP(SCCCC)SCCCC"	"?"	"InChI=1S/C12H27PS3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3"	"KLAPGAOQRZTCBI-UHFFFAOYSA-N"	FALSE	FALSE	910	3	4
"150-68-5"	"DTXSID0020311"	"Monuron"	"EPA_DSSTox"	"CN(C)C(=O)NC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)"	"BMLIZLVNXIYGCK-UHFFFAOYSA-N"	FALSE	FALSE	1053	3	4
"150-69-6"	"DTXSID9020580"	"Dulcin"	"EPA_DSSTox"	"CCOC1C=CC(=CC=1)NC(N)=O"	"?"	"InChI=1S/C9H12N2O2/c1-2-13-8-5-3-7(4-6-8)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)"	"GGLIEWRLXDLBBF-UHFFFAOYSA-N"	FALSE	FALSE	1900	3	4
"150-76-5"	"DTXSID4020828"	"4-Methoxyphenol"	"EPA_DSSTox"	"COC1C=CC(O)=CC=1"	"?"	"InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3"	"NWVVVBRKAWDGAB-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"150-78-7"	"DTXSID0022014"	"Hydroquinone dimethyl ether"	"EPA_DSSTox"	"COC1C=CC(=CC=1)OC"	"?"	"InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3"	"OHBQPCCCRFSCAX-UHFFFAOYSA-N"	FALSE	TRUE	3600	3	5
"150-86-7"	"DTXSID1040586"	"Phytol"	"EPA_DSSTox"	"CC(C)CCCC(C)CCCC(C)CCCC(C)=CCO"	"?"	"InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3"	"BOTWFXYSPFMFNR-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1501-84-4"	"DTXSID1047813"	"Rimantadine hydrochloride"	"EPA_DSSTox"	"CC(N)C12CC3CC(C1)CC(C2)C3"	"Cl"	"InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3"	"UBCHPRBFMUDMNC-UHFFFAOYSA-N"	FALSE	FALSE	640	3	4
"150114-71-9"	"DTXSID2034330"	"Aminopyralid"	"EPA_DSSTox"	"NC1=CC(Cl)=NC(C(O)=O)=C1Cl"	"?"	"InChI=1S/C6H4Cl2N2O2/c7-3-1-2(9)4(8)5(10-3)6(11)12/h1H,(H2,9,10)(H,11,12)"	"NIXXQNOQHKNPEJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"15037-58-8"	"DTXSID60164531"	"Carbamic acid, methyl-, 4-allyl-2-methoxyphenyl ester"	"EPA_DSSTox"	"COC1=CC(CC=C)=CC=C1OC(=O)NC"	"?"	"InChI=1S/C12H15NO3/c1-4-5-9-6-7-10(11(8-9)15-3)16-12(14)13-2/h4,6-8H,1,5H2,2-3H3,(H,13,14)"	"XNYNXUUNDKTASA-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"15037-62-4"	"DTXSID20164532"	"Phosphorothioic acid, O,O-dimethyl O-thymyl ester"	"EPA_DSSTox"	"CC1C=CC(C(C)C)=C(C=1)OP(=S)(OC)OC"	"?"	"InChI=1S/C12H19O3PS/c1-9(2)11-7-6-10(3)8-12(11)15-16(17,13-4)14-5/h6-9H,1-5H3"	"RBHCNTDVBLSWGQ-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"15037-64-6"	"DTXSID80164533"	"Phosphorothioic acid, O-(4-allyl-2-methoxyphenyl) O,O-dimethyl ester"	"EPA_DSSTox"	"COC1C=C(CC=C)C=CC=1OP(=S)(OC)OC"	"?"	"InChI=1S/C12H17O4PS/c1-5-6-10-7-8-11(12(9-10)13-2)16-17(18,14-3)15-4/h5,7-9H,1,6H2,2-4H3"	"LQMFKTABFMOAHR-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"15037-65-7"	NA	NA	"Public_CrossChecked"	"CC=CC1=CC(OC)=C(C=C1)OP(=S)(OC)OC"	"?"	"InChI=1S/C12H17O4PS/c1-5-6-10-7-8-11(12(9-10)13-2)16-17(18,14-3)15-4/h5-9H,1-4H3"	"MYGDLNKFLWQJJK-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"1504-74-1"	NA	NA	"Public_CrossChecked"	"COC1C=CC=CC=1C=CC=O"	"?"	"InChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3"	"KKVZAVRSVHUSPL-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"150433-14-0"	NA	NA	"Public_CrossChecked"	"CN1CC2CN(CC=2C1)c1c(F)c2c(cc1F)c(=O)c(c[n]2C1CC1)C(O)=O"	"CC(C(=O)O)O"	"InChI=1S/C20H19F2N3O3/c1-23-5-10-7-24(8-11(10)6-23)18-15(21)4-13-17(16(18)22)25(12-2-3-12)9-14(19(13)26)20(27)28/h4,9,12H,2-3,5-8H2,1H3,(H,27,28)"	"XEOJRRQNMZDMEK-UHFFFAOYSA-N"	FALSE	FALSE	1056	3	4
"1505-95-9"	NA	NA	"Public_CrossChecked"	"CC(C)C(CCN(C)C)(C(N)=O)C1C=CC=C2C=CC=CC2=1"	"?"	"InChI=1S/C19H26N2O/c1-14(2)19(18(20)22,12-13-21(3)4)17-11-7-9-15-8-5-6-10-16(15)17/h5-11,14H,12-13H2,1-4H3,(H2,20,22)"	"XXFVRXJPEIBBEZ-UHFFFAOYSA-N"	FALSE	FALSE	1030	3	4
"1508-75-4"	"DTXSID8045220"	"Tropicamide"	"EPA_DSSTox"	"CCN(CC1C=CN=CC=1)C(=O)C(CO)C1C=CC=CC=1"	"?"	"InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3"	"BGDKAVGWHJFAGW-UHFFFAOYSA-N"	FALSE	FALSE	865	3	4
"150824-47-8"	"DTXSID8041080"	"(E)-Nitenpyram"	"EPA_DSSTox"	"CCN(CC1=CN=C(Cl)C=C1)C(=C[N+]([O-])=O)NC"	"?"	"InChI=1S/C11H15ClN4O2/c1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9/h4-6,8,13H,3,7H2,1-2H3"	"CFRPSFYHXJZSBI-UHFFFAOYSA-N"	FALSE	FALSE	1575	3	4
"151-05-3"	"DTXSID3041877"	"Dimethylbenzylcarbinyl acetate"	"EPA_DSSTox"	"CC(=O)OC(C)(C)CC1C=CC=CC=1"	"?"	"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"	FALSE	TRUE	3300	3	5
"151-06-4"	"DTXSID1047815"	"Chlorphentermine hydrochloride"	"EPA_DSSTox"	"CC(C)(N)CC1C=CC(Cl)=CC=1"	"Cl"	"InChI=1S/C10H14ClN/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6H,7,12H2,1-2H3"	"ZCKAMNXUHHNZLN-UHFFFAOYSA-N"	FALSE	FALSE	150	2	3
"151-41-7"	"DTXSID0042088"	"Lauryl sulfate"	"EPA_DSSTox"	"CCCCCCCCCCCCOS(O)(=O)=O"	"?"	"InChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)"	"MOTZDAYCYVMXPC-UHFFFAOYSA-N"	FALSE	FALSE	1300	3	4
"151-50-8"	"DTXSID0024268"	"Potassium cyanide"	"EPA_DSSTox"	"C#N"	"[K+]"	"InChI=1S/CHN/c1-2/h1H"	"LELOWRISYMNNSU-UHFFFAOYSA-N"	TRUE	FALSE	5	1	2
"151-56-4"	"DTXSID8020599"	"Ethyleneimine"	"EPA_DSSTox"	"C1CN1"	"?"	"InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2"	"NOWKCMXCCJGMRR-UHFFFAOYSA-N"	TRUE	FALSE	15	1	2
"151-67-7"	"DTXSID4025371"	"Halothane"	"EPA_DSSTox"	"FC(F)(F)C(Cl)Br"	"?"	"InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H"	"BCQZXOMGPXTTIC-UHFFFAOYSA-N"	FALSE	TRUE	5680	4	5
"1511-67-7"	"DTXSID50164707"	"Methylphosphonfluoridate"	"EPA_DSSTox"	"CP(O)(=O)F"	"?"	"InChI=1S/CH4FO2P/c1-5(2,3)4/h1H3,(H,3,4)"	"XQGIZQWEZVJRDD-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"15112-89-7"	"DTXSID00884786"	"Silanetriamine, N,N,N',N',N'',N''-hexamethyl-"	"EPA_DSSTox"	"CN(C)[SiH](N(C)C)N(C)C"	"?"	"InChI=1S/C6H19N3Si/c1-7(2)10(8(3)4)9(5)6/h10H,1-6H3"	"TWVSWDVJBJKDAA-UHFFFAOYSA-N"	FALSE	FALSE	594	3	4
"15121-11-6"	"DTXSID60884787"	"1,3,2-Dioxathiolane, 4-(chloromethyl)-, 2-oxide"	"EPA_DSSTox"	"O=S1OCC(CCl)O1"	"?"	"InChI=1S/C3H5ClO3S/c4-1-3-2-6-8(5)7-3/h3H,1-2H2"	"RGDJXHLNJJZNGO-UHFFFAOYSA-N"	TRUE	FALSE	NA	1	2
"15129-36-9"	"DTXSID40164751"	"1,6-Hexanediamine, N-((triethoxysilyl)methyl)-"	"EPA_DSSTox"	"CCO[Si](CNCCCCCCN)(OCC)OCC"	"?"	"InChI=1S/C13H32N2O3Si/c1-4-16-19(17-5-2,18-6-3)13-15-12-10-8-7-9-11-14/h15H,4-14H2,1-3H3"	"RRQTYXHHYIJDFB-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"151327-04-7"	"DTXSID20164759"	"Pyrazolo(1,5-a)pyrimidin-7-amine, N-(2-(4-morpholinyl)ethyl)-5-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"CCCC1=NC2=CC=NN2C(NCCN2CCOCC2)=C1CC1C=CC(=CC=1)C1C=CC=CC=1C1=NNN=N1"	"?"	"InChI=1S/C29H33N9O/c1-2-5-26-25(29(38-27(32-26)12-13-31-38)30-14-15-37-16-18-39-19-17-37)20-21-8-10-22(11-9-21)23-6-3-4-7-24(23)28-33-35-36-34-28/h3-4,6-13,30H,2,5,14-20H2,1H3,(H,33,34,35,36)"	"TVDFPRLEYPSLOM-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"151327-07-0"	"DTXSID30164760"	"Pyrazolo(1,5-a)pyrimidine, 7-chloro-5-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"CCCC1=NC2=CC=NN2C(Cl)=C1CC1C=CC(=CC=1)C1C=CC=CC=1C1=NNN=N1"	"?"	"InChI=1S/C23H20ClN7/c1-2-5-20-19(22(24)31-21(26-20)12-13-25-31)14-15-8-10-16(11-9-15)17-6-3-4-7-18(17)23-27-29-30-28-23/h3-4,6-13H,2,5,14H2,1H3,(H,27,28,29,30)"	"TXKVGHLYOXKZDO-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"151327-11-6"	"DTXSID50164762"	"Pyrazolo(1,5-a)pyrimidin-7-amine, 5-propyl-N-(2-(1-pyrrolidinyl)ethyl)-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"CCCC1=NC2=CC=NN2C(NCCN2CCCC2)=C1CC1C=CC(=CC=1)C1C=CC=CC=1C1=NNN=N1"	"?"	"InChI=1S/C29H33N9/c1-2-7-26-25(29(38-27(32-26)14-15-31-38)30-16-19-37-17-5-6-18-37)20-21-10-12-22(13-11-21)23-8-3-4-9-24(23)28-33-35-36-34-28/h3-4,8-15,30H,2,5-7,16-20H2,1H3,(H,33,34,35,36)"	"OEGQOHAGTRCUML-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"151327-12-7"	"DTXSID10164763"	"Pyrazolo(1,5-a)pyrimidin-7-amine, 5-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"CCCC1=NC2=CC=NN2C(N)=C1CC1C=CC(=CC=1)C1C=CC=CC=1C1=NNN=N1"	"?"	"InChI=1S/C23H22N8/c1-2-5-20-19(22(24)31-21(26-20)12-13-25-31)14-15-8-10-16(11-9-15)17-6-3-4-7-18(17)23-27-29-30-28-23/h3-4,6-13H,2,5,14,24H2,1H3,(H,27,28,29,30)"	"YNQMEWUGNXUQCV-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"15148-80-8"	NA	NA	"Public_CrossChecked"	"CC1C=CC(Cl)=C(C=1)OCC(O)CNC(C)(C)C"	"?"	"InChI=1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3"	"HQIRNZOQPUAHHV-UHFFFAOYSA-N"	FALSE	FALSE	518	3	4
"1515-76-0"	NA	NA	"Public_CrossChecked"	"CC(=O)OC=CC=C"	"?"	"InChI=1S/C6H8O2/c1-3-4-5-8-6(2)7/h3-5H,1H2,2H3"	"NMQQBXHZBNUXGJ-UHFFFAOYSA-N"	FALSE	FALSE	710	3	4
"1516-01-4"	"DTXSID8073263"	"2,4-Hexadienenitrile"	"EPA_DSSTox"	"CC=CC=CC#N"	"?"	"InChI=1S/C6H7N/c1-2-3-4-5-6-7/h2-5H,1H3"	"NYKHMTWWXWMMHN-UHFFFAOYSA-N"	FALSE	FALSE	712	3	4
"1516-67-2"	"DTXSID20164815"	"Phosphorazidothioic acid, O,O-diethyl ester"	"EPA_DSSTox"	"CCOP(=S)(N=[N+]=N)OCC"	"?"	"InChI=1S/C4H11N3O2PS/c1-3-8-10(11,7-6-5)9-4-2/h5H,3-4H2,1-2H3/q+1"	"WBXGVUKJXUEHNY-UHFFFAOYSA-N"	TRUE	FALSE	5	1	2
"15165-67-0"	"DTXSID0034851"	"Dichlorprop-P"	"EPA_DSSTox"	"CC(OC1C=CC(Cl)=CC=1Cl)C(O)=O"	"?"	"InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)"	"MZHCENGPTKEIGP-UHFFFAOYSA-N"	FALSE	FALSE	567	3	4
"151789-06-9"	"DTXSID8029860"	"1-Propanamine, 3-(C11-14-isoalkyloxy) derivs., C13-rich"	"EPA_DSSTox"	"CC(C)CCCCCCCCCCOCCCN"	"?"	"InChI=1S/C16H35NO/c1-16(2)12-9-7-5-3-4-6-8-10-14-18-15-11-13-17/h16H,3-15,17H2,1-2H3"	"CUFBDUDYFHCIOH-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"15180-03-7"	"DTXSID0045414"	"Alcuronium chloride"	"EPA_DSSTox"	"C=CC[N+]12CC(=CCO)C3CC1C1(CC2)C2C3=CN3C4C(=CN2C2C=CC=CC1=2)C1CC2C4(CC[N+]2(CC1=CCO)CC=C)C1C=CC=CC3=1 |c:23,t:19|"	"[Cl-].[Cl-]"	"InChI=1S/C44H50N4O2/c1-3-17-47-19-15-43-35-9-5-7-11-37(35)45-26-34-32-24-40-44(16-20-48(40,18-4-2)28-30(32)14-22-50)36-10-6-8-12-38(36)46(42(34)44)25-33(41(43)45)31(23-39(43)47)29(27-47)13-21-49/h3-14,25-26,31-32,39-42,49-50H,1-2,15-24,27-28H2/q+2/b29-13?,30-14?,33-25-,34-26-"	"MUQUYTSLDVKIOF-LHAUVHEISA-N"	TRUE	FALSE	27.6	1	2
"15180-47-9"	"DTXSID60164879"	"Ethanamine, N-ethyl-N-((triethoxysilyl)methyl)-"	"EPA_DSSTox"	"CCO[Si](CN(CC)CC)(OCC)OCC"	"?"	"InChI=1S/C11H27NO3Si/c1-6-12(7-2)11-16(13-8-3,14-9-4)15-10-5/h6-11H2,1-5H3"	"UMXXGDJOCQSQBV-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"152-02-3"	"DTXSID9023205"	"Levallorphan"	"EPA_DSSTox"	"C=CCN1CCC23CCCCC2C1CC1C=CC(O)=CC3=1"	"?"	"InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2"	"OZYUPQUCAUTOBP-UHFFFAOYSA-N"	FALSE	FALSE	949	3	4
"152-11-4"	"DTXSID2034095"	"Verapamil hydrochloride"	"EPA_DSSTox"	"CC(C)C(CCCN(C)CCC1C=CC(OC)=C(C=1)OC)(C#N)C1=CC(OC)=C(C=C1)OC"	"Cl"	"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"	FALSE	FALSE	108	2	3
"152-16-9"	"DTXSID0042373"	"Schradan"	"EPA_DSSTox"	"CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C"	"?"	"InChI=1S/C8H24N4O3P2/c1-9(2)16(13,10(3)4)15-17(14,11(5)6)12(7)8/h1-8H3"	"SZKKRCSOSQAJDE-UHFFFAOYSA-N"	TRUE	FALSE	5	1	2
"152-20-5"	"DTXSID90164928"	"O,O,S-Trimethyl phosphorothioate"	"EPA_DSSTox"	"CSP(=O)(OC)OC"	"?"	"InChI=1S/C3H9O3PS/c1-5-7(4,6-2)8-3/h1-3H3"	"WTUNGUOZHBRADH-UHFFFAOYSA-N"	TRUE	FALSE	15	1	2
"152-62-5"	"DTXSID1022974"	"Dydrogesterone"	"EPA_DSSTox"	"CC(=O)C1CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC21C"	"?"	"InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3"	"JGMOKGBVKVMRFX-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"152-72-7"	"DTXSID2022541"	"Acenocoumarol"	"EPA_DSSTox"	"CC(=O)CC(C1=C(O)C2=CC=CC=C2OC1=O)C1C=CC(=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3"	"VABCILAOYCMVPS-UHFFFAOYSA-N"	FALSE	FALSE	513	3	4
"15206-55-0"	"DTXSID9065867"	"Benzeneacetic acid, .alpha.-oxo-, methyl ester"	"EPA_DSSTox"	"COC(=O)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C9H8O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6H,1H3"	"YLHXLHGIAMFFBU-UHFFFAOYSA-N"	FALSE	TRUE	6800	4	5
"15208-16-9"	NA	NA	"Public_CrossChecked"	"CNC1N=C(NC2=CC(=C(C=CC3C=CC(=CC=3S(O)(=O)=O)NC3N=C(NC)N=C(N=3)N(CCO)CCO)C=C2)S(O)(=O)=O)N=C(N=1)N(CCO)CCO"	"?"	"InChI=1S/C30H40N12O10S2/c1-31-25-35-27(39-29(37-25)41(9-13-43)10-14-44)33-21-7-5-19(23(17-21)53(47,48)49)3-4-20-6-8-22(18-24(20)54(50,51)52)34-28-36-26(32-2)38-30(40-28)42(11-15-45)12-16-46/h3-8,17-18,43-46H,9-16H2,1-2H3,(H,47,48,49)(H,50,51,52)(H2,31,33,35,37,39)(H2,32,34,36,38,40)"	"UOUOYXKZSNHRPC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"15214-89-8"	"DTXSID5027770"	"2-Acrylamido-2-methyl-1-propanesulfonic acid"	"EPA_DSSTox"	"CC(C)(CS(O)(=O)=O)NC(=O)C=C"	"?"	"InChI=1S/C7H13NO4S/c1-4-6(9)8-7(2,3)5-13(10,11)12/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12)"	"XHZPRMZZQOIPDS-UHFFFAOYSA-N"	FALSE	FALSE	1830	3	4
"15217-42-2"	"DTXSID4065868"	"1H-Benzotriazole, sodium salt"	"EPA_DSSTox"	"C1C=CC=C2NN=NC2=1"	"[Na+]"	"InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)"	"QRUDEWIWKLJBPS-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"1522-41-4"	"DTXSID70282119"	"Ethyl 2-fluoroacetoacetate"	"EPA_DSSTox"	"CC(=O)C(F)C(=O)OCC"	"?"	"InChI=1S/C6H9FO3/c1-3-10-6(9)5(7)4(2)8/h5H,3H2,1-2H3"	"SHTFQLHOTAJQRJ-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"1522-92-5"	"DTXSID9024641"	"3-Bromo-2,2-bis(bromomethyl)propanol"	"EPA_DSSTox"	"OCC(CBr)(CBr)CBr"	"?"	"InChI=1S/C5H9Br3O/c6-1-5(2-7,3-8)4-9/h9H,1-4H2"	"QEJPOEGPNIVDMK-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"15220-87-8"	"DTXSID8049757"	"Propylene pentamer"	"EPA_DSSTox"	"CC=CC=CC=CC=CC=CC=CC=C"	"?"	"InChI=1S/C15H18/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H,1H2,2H3"	"CETJIWVTDUCJAH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"152264-27-2"	"DTXSID90164983"	"1,2,3-Benzotriazin-4(3H)-one, 6-(4-chlorophenoxy)-3-(3-pyridinylmethyl)-"	"EPA_DSSTox"	"O=C1C2C=C(C=CC=2N=NN1CC1C=NC=CC=1)OC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C19H13ClN4O2/c20-14-3-5-15(6-4-14)26-16-7-8-18-17(10-16)19(25)24(23-22-18)12-13-2-1-9-21-11-13/h1-11H,12H2"	"WMAAGKMIAITZNY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"152264-48-7"	"DTXSID50164984"	"1H-Isoindole-1,3(2H)-dione, 5-(4-chlorophenoxy)-2-(3-pyridinylmethyl)-"	"EPA_DSSTox"	"O=C1C2C=C(C=CC=2C(=O)N1CC1C=NC=CC=1)OC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C20H13ClN2O3/c21-14-3-5-15(6-4-14)26-16-7-8-17-18(10-16)20(25)23(19(17)24)12-13-2-1-9-22-11-13/h1-11H,12H2"	"OXPQKWYAWFKMRG-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"152264-74-9"	"DTXSID70164986"	"Benzonitrile, 4,4'-((2,3-dihydro-1,3-dioxo-2-(3-pyridinylmethyl)-1H-isoindol-5-yl)imino)bis-"	"EPA_DSSTox"	"N#CC1C=CC(=CC=1)N(C1=CC2=C(C=C1)C(=O)N(CC1C=NC=CC=1)C2=O)C1C=CC(=CC=1)C#N"	"?"	"InChI=1S/C28H17N5O2/c29-15-19-3-7-22(8-4-19)33(23-9-5-20(16-30)6-10-23)24-11-12-25-26(14-24)28(35)32(27(25)34)18-21-2-1-13-31-17-21/h1-14,17H,18H2"	"VIBWDLANWLFIBU-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"15245-44-0"	NA	NA	"Public_CrossChecked"	"[O-][N+](=O)C1=C(O)C(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O"	"[Pb+2]"	"InChI=1S/C6H3N3O8/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h1,10-11H"	"IXHMHWIBCIYOAZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"15263-52-2"	"DTXSID9058315"	"Cartap hydrochloride"	"EPA_DSSTox"	"CN(C)C(CSC(N)=O)CSC(N)=O"	"Cl"	"InChI=1S/C7H15N3O2S2/c1-10(2)5(3-13-6(8)11)4-14-7(9)12/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,12)"	"IRUJZVNXZWPBMU-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"15263-53-3"	"DTXSID4044165"	"Cartap"	"EPA_DSSTox"	"CN(C)C(CSC(N)=O)CSC(N)=O"	"?"	"InChI=1S/C7H15N3O2S2/c1-10(2)5(3-13-6(8)11)4-14-7(9)12/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,12)"	"IRUJZVNXZWPBMU-UHFFFAOYSA-N"	FALSE	FALSE	225	2	3
"15267-95-5"	"DTXSID3065871"	"Silane, (chloromethyl)triethoxy-"	"EPA_DSSTox"	"CCO[Si](CCl)(OCC)OCC"	"?"	"InChI=1S/C7H17ClO3Si/c1-4-9-12(7-8,10-5-2)11-6-3/h4-7H2,1-3H3"	"ZDOBWJOCPDIBRZ-UHFFFAOYSA-N"	FALSE	TRUE	2400	3	5
"15287-51-1"	"DTXSID40165147"	"2,4,5-Tribromoimidazole-1-n-butylcarboxylate"	"EPA_DSSTox"	"CCCCOC(=O)N1C(Br)=NC(Br)=C1Br"	"?"	"InChI=1S/C8H9Br3N2O2/c1-2-3-4-15-8(14)13-6(10)5(9)12-7(13)11/h2-4H2,1H3"	"UXSDUYGMRLQRMS-UHFFFAOYSA-N"	TRUE	FALSE	44	1	2
"15299-99-7"	"DTXSID5024211"	"Napropamide"	"EPA_DSSTox"	"CC(OC1=CC=CC2C=CC=CC=21)C(=O)N(CC)CC"	"?"	"InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3"	"WXZVAROIGSFCFJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"153-87-7"	"DTXSID20165185"	"Oxypertine"	"EPA_DSSTox"	"CC1NC2=CC(OC)=C(C=C2C=1CCN1CCN(CC1)C1C=CC=CC=1)OC"	"?"	"InChI=1S/C23H29N3O2/c1-17-19(20-15-22(27-2)23(28-3)16-21(20)24-17)9-10-25-11-13-26(14-12-25)18-7-5-4-6-8-18/h4-8,15-16,24H,9-14H2,1-3H3"	"XCWPUUGSGHNIDZ-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"1530-32-1"	"DTXSID90883687"	"Phosphonium, ethyltriphenyl-, bromide (1:1)"	"EPA_DSSTox"	"CC[P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1"	"[Br-]"	"InChI=1S/C20H20P/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3/q+1"	"GELSOTNVVKOYAW-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"15301-48-1"	"DTXSID90165197"	"Bezitramide [INN:BAN:DCF]"	"EPA_DSSTox"	"CCC(=O)N1C2C=CC=CC=2N(C2CCN(CCC(C#N)(C3C=CC=CC=3)C3C=CC=CC=3)CC2)C1=O"	"?"	"InChI=1S/C31H32N4O2/c1-2-29(36)35-28-16-10-9-15-27(28)34(30(35)37)26-17-20-33(21-18-26)22-19-31(23-32,24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-16,26H,2,17-22H2,1H3"	"FLKWNFFCSSJANB-UHFFFAOYSA-N"	FALSE	FALSE	141	2	3
"15302-91-7"	"DTXSID9042122"	"Mepiquat"	"EPA_DSSTox"	"C[N+]1(C)CCCCC1"	"?"	"InChI=1S/C7H16N/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3/q+1"	"NNCAWEWCFVZOGF-UHFFFAOYSA-N"	FALSE	FALSE	270	2	3
"15307-79-6"	"DTXSID3037208"	"Diclofenac sodium"	"EPA_DSSTox"	"OC(=O)CC1C=CC=CC=1NC1C(Cl)=CC=CC=1Cl"	"[Na+]"	"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"	FALSE	FALSE	53	2	3
"15307-86-5"	"DTXSID6022923"	"Diclofenac"	"EPA_DSSTox"	"OC(=O)CC1C=CC=CC=1NC1C(Cl)=CC=CC=1Cl"	"?"	"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"	FALSE	FALSE	62.5	2	3
"15307-93-4"	"DTXSID90165213"	"2,6-Dichloro-N-phenylaniline"	"EPA_DSSTox"	"ClC1C=CC=C(Cl)C=1NC1C=CC=CC=1"	"?"	"InChI=1S/C12H9Cl2N/c13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9/h1-8,15H"	"HDUUZPLYVVQTKN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"15308-01-7"	"DTXSID10165215"	"2-Chloro-N-(2,6-dichlorophenyl)-N-phenylacetamide"	"EPA_DSSTox"	"O=C(CCl)N(C1C(Cl)=CC=CC=1Cl)C1C=CC=CC=1"	"?"	"InChI=1S/C14H10Cl3NO/c15-9-13(19)18(10-5-2-1-3-6-10)14-11(16)7-4-8-12(14)17/h1-8H,9H2"	"BPEUHDIEZQWRGC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1531-95-9"	"DTXSID20165221"	"Cyclohexanol, 4-piperidino-"	"EPA_DSSTox"	"OC1CCC(CC1)N1CCCCC1"	"?"	"InChI=1S/C11H21NO/c13-11-6-4-10(5-7-11)12-8-2-1-3-9-12/h10-11,13H,1-9H2"	"VHFKXROBNKLENX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1531-97-1"	"DTXSID80165222"	"Cyclohexanol, 4-piperidino-, propionate (ester)"	"EPA_DSSTox"	"CCC(=O)OC1CCC(CC1)N1CCCCC1"	"?"	"InChI=1S/C14H25NO2/c1-2-14(16)17-13-8-6-12(7-9-13)15-10-4-3-5-11-15/h12-13H,2-11H2,1H3"	"KFECPCWZCXLLLD-UHFFFAOYSA-N"	FALSE	FALSE	1980	3	4
"15310-01-7"	"DTXSID7041623"	"Benodanil"	"EPA_DSSTox"	"O=C(NC1C=CC=CC=1)C1C=CC=CC=1I"	"?"	"InChI=1S/C13H10INO/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,(H,15,16)"	"LJOZMWRYMKECFF-UHFFFAOYSA-N"	FALSE	TRUE	6400	4	5
"1532-00-9"	"DTXSID30165272"	"Isobutyric acid, 4-piperidinocyclohexyl ester"	"EPA_DSSTox"	"CC(C)C(=O)OC1CCC(CC1)N1CCCCC1"	"?"	"InChI=1S/C15H27NO2/c1-12(2)15(17)18-14-8-6-13(7-9-14)16-10-4-3-5-11-16/h12-14H,3-11H2,1-2H3"	"HMSUAYWYBNPMCX-UHFFFAOYSA-N"	FALSE	TRUE	3150	3	5
"1532-06-5"	"DTXSID70165276"	"Cyclohexanecarboxylic acid, 4-piperidinocyclohexyl ester"	"EPA_DSSTox"	"O=C(OC1CCC(CC1)N1CCCCC1)C1CCCCC1"	"?"	"InChI=1S/C18H31NO2/c20-18(15-7-3-1-4-8-15)21-17-11-9-16(10-12-17)19-13-5-2-6-14-19/h15-17H,1-14H2"	"QDAFVPZEOVJIJF-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"1532-12-3"	"DTXSID50165279"	"Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester"	"EPA_DSSTox"	"COC1=CC(=CC(OC)=C1OC)C(=O)OC1CCC(CC1)N1CCCCC1"	"?"	"InChI=1S/C21H31NO5/c1-24-18-13-15(14-19(25-2)20(18)26-3)21(23)27-17-9-7-16(8-10-17)22-11-5-4-6-12-22/h13-14,16-17H,4-12H2,1-3H3"	"UNYOEMGZKJSZNF-UHFFFAOYSA-N"	FALSE	FALSE	650	3	4
"1532-14-5"	"DTXSID60165280"	"Cyclohexanol, 4-piperidino-, p-nitrobenzoate (ester)"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC(=CC=1)C(=O)OC1CCC(CC1)N1CCCCC1"	"?"	"InChI=1S/C18H24N2O4/c21-18(14-4-6-16(7-5-14)20(22)23)24-17-10-8-15(9-11-17)19-12-2-1-3-13-19/h4-7,15,17H,1-3,8-13H2"	"RPEZKQMDZRGSNQ-UHFFFAOYSA-N"	FALSE	TRUE	3250	3	5
"153233-91-1"	"DTXSID8034586"	"Etoxazole"	"EPA_DSSTox"	"CCOC1C=C(C=CC=1C1COC(=N1)C1C(F)=CC=CC=1F)C(C)(C)C"	"?"	"InChI=1S/C21H23F2NO2/c1-5-25-18-11-13(21(2,3)4)9-10-14(18)17-12-26-20(24-17)19-15(22)7-6-8-16(19)23/h6-11,17H,5,12H2,1-4H3"	"IXSZQYVWNJNRAL-UHFFFAOYSA-N"	FALSE	TRUE	4274	3	5
"15336-82-0"	"DTXSID9051745"	"5-Ethyl-1,3-diglycidyl-5-methylhydantoin"	"EPA_DSSTox"	"CCC1(C)C(=O)N(CC2CO2)C(=O)N1CC1CO1"	"?"	"InChI=1S/C12H18N2O4/c1-3-12(2)10(15)13(4-8-6-17-8)11(16)14(12)5-9-7-18-9/h8-9H,3-7H2,1-2H3"	"JBBURRWEMSTGIX-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"15351-05-0"	NA	NA	"Public_CrossChecked"	"C[N+]1(CCC(C(N)=O)(C2C=CC=CC=2)C2C=CC=CC=2)CCCCCC1"	"[I-]"	"InChI=1S/C23H30N2O/c1-25(17-10-2-3-11-18-25)19-16-23(22(24)26,20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-9,12-15H,2-3,10-11,16-19H2,1H3,(H-,24,26)/p+1"	"HDGFUOKLIQJQCS-UHFFFAOYSA-O"	FALSE	TRUE	2800	3	5
"153719-23-4"	"DTXSID2034962"	"Thiamethoxam"	"EPA_DSSTox"	"CN1COCN(CC2=CN=C(Cl)S2)C1=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"	"NWWZPOKUUAIXIW-UHFFFAOYSA-N"	FALSE	FALSE	1563	3	4
"153719-38-1"	"DTXSID30447146"	"N-(3-Methyl-3,6-dihydro-2H-1,3,5-oxadiazin-4-yl)nitramide"	"EPA_DSSTox"	"CN1COCN=C1N[N+]([O-])=O"	"?"	"InChI=1S/C4H8N4O3/c1-7-3-11-2-5-4(7)6-8(9)10/h2-3H2,1H3,(H,5,6)"	"GAYLOVDFGKQKCJ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"15375-84-5"	"DTXSID6042107"	"Manganate(2-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-.kappa.O)methyl]glycinato-.kappa.N,.kappa.O]](4-)]-, disodium, (OC-6-21)-"	"EPA_DSSTox"	"OC(=O)CN(CC(O)=O)CCN(CC(O)=O)CC(O)=O"	"[Mn+2].[Na+].[Na+]"	"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"	FALSE	TRUE	NA	3	5
"15386-51-3"	"DTXSID00165461"	"RD 12869"	"EPA_DSSTox"	"CC1=CC(Cl)=C(NCCN(CC)CC)C2=CC=CN=C12"	"?"	"InChI=1S/C16H22ClN3/c1-4-20(5-2)10-9-19-16-13-7-6-8-18-15(13)12(3)11-14(16)17/h6-8,11,19H,4-5,9-10H2,1-3H3"	"IJOHSTGWCOYEFR-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"15396-00-6"	"DTXSID2065882"	"Silane, (3-isocyanatopropyl)trimethoxy-"	"EPA_DSSTox"	"CO[Si](CCCN=C=O)(OC)OC"	"?"	"InChI=1S/C7H15NO4Si/c1-10-13(11-2,12-3)6-4-5-8-7-9/h4-6H2,1-3H3"	"FMGBDYLOANULLW-UHFFFAOYSA-N"	FALSE	FALSE	878	3	4
"154-21-2"	"DTXSID3023215"	"Lincomycin"	"EPA_DSSTox"	"CC(O)C(NC(=O)C1CC(CCC)CN1C)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"	FALSE	FALSE	1000	3	4
"154-23-4"	"DTXSID3022322"	"Cianidanol"	"EPA_DSSTox"	"OC1CC2=C(C=C(O)C=C2O)OC1C1=CC(O)=C(O)C=C1"	"?"	"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2"	"PFTAWBLQPZVEMU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"154-82-5"	"DTXSID2057651"	"Simetride"	"EPA_DSSTox"	"COC1C=C(CCC)C=CC=1OCC(=O)N1CCN(CC1)C(=O)COC1=CC=C(CCC)C=C1OC"	"?"	"InChI=1S/C28H38N2O6/c1-5-7-21-9-11-23(25(17-21)33-3)35-19-27(31)29-13-15-30(16-14-29)28(32)20-36-24-12-10-22(8-6-2)18-26(24)34-4/h9-12,17-18H,5-8,13-16,19-20H2,1-4H3"	"IMOLVSPMDGCLMB-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"15421-84-8"	"DTXSID0045416"	"Trapidil"	"EPA_DSSTox"	"CC1C=C(N2N=CN=C2N=1)N(CC)CC"	"?"	"InChI=1S/C10H15N5/c1-4-14(5-2)9-6-8(3)13-10-11-7-12-15(9)10/h6-7H,4-5H2,1-3H3"	"GSNOZLZNQMLSKJ-UHFFFAOYSA-N"	FALSE	FALSE	235	2	3
"15435-29-7"	"DTXSID90165596"	"Bromochlorophene"	"EPA_DSSTox"	"OC1=C(CC2=CC(Cl)=CC(Br)=C2O)C=C(Cl)C=C1Br"	"?"	"InChI=1S/C13H8Br2Cl2O2/c14-10-4-8(16)2-6(12(10)18)1-7-3-9(17)5-11(15)13(7)19/h2-5,18-19H,1H2"	"TYBHZVUFOINFDV-UHFFFAOYSA-N"	FALSE	TRUE	3700	3	5
"15440-46-7"	"DTXSID40165622"	"4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-(((3-fluoro-4-methoxyphenoxy)acetyl)amino)-7-oxo-, monopotassium salt, (2S-(2-alpha,5-alpha,6-beta))-"	"EPA_DSSTox"	"COC1C=CC(=CC=1F)OCC(=O)NC1C2SC(C)(C)C(C(O)=O)N2C1=O"	"[K+]"	"InChI=1S/C17H19FN2O6S/c1-17(2)13(16(23)24)20-14(22)12(15(20)27-17)19-11(21)7-26-8-4-5-10(25-3)9(18)6-8/h4-6,12-13,15H,7H2,1-3H3,(H,19,21)(H,23,24)"	"ZKUHGDJZDDWRHF-UHFFFAOYSA-N"	FALSE	TRUE	7000	4	5
"15440-48-9"	"DTXSID00165623"	"4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((3,4-dichlorophenoxy)acetyl)amino)-3,3-dimethyl-7-oxo-, monopotassium salt, (2S-(2-alpha,5-alpha,6-beta))-"	"EPA_DSSTox"	"CC1(C)SC2C(NC(=O)COC3=CC(Cl)=C(Cl)C=C3)C(=O)N2C1C(O)=O"	"[K+]"	"InChI=1S/C16H16Cl2N2O5S/c1-16(2)12(15(23)24)20-13(22)11(14(20)26-16)19-10(21)6-25-7-3-4-8(17)9(18)5-7/h3-5,11-12,14H,6H2,1-2H3,(H,19,21)(H,23,24)"	"JNQCBLQCDPIDAG-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"15440-51-4"	"DTXSID60165624"	"4-Thia-1-azabicyclo(3.2.O)heptane-2-carboxylic acid, 6-(((3-chloro-4-methylphenoxy)acetyl)amino)-3,3-dimethyl-7-oxo-, monopotassium salt, (2S-(2-alpha,5-alpha,6-beta))-"	"EPA_DSSTox"	"CC1C=CC(=CC=1Cl)OCC(=O)NC1C2SC(C)(C)C(C(O)=O)N2C1=O"	"[K+]"	"InChI=1S/C17H19ClN2O5S/c1-8-4-5-9(6-10(8)18)25-7-11(21)19-12-14(22)20-13(16(23)24)17(2,3)26-15(12)20/h4-6,12-13,15H,7H2,1-3H3,(H,19,21)(H,23,24)"	"YIMQCDFWIHPKED-UHFFFAOYSA-N"	FALSE	TRUE	2250	3	5
"15446-08-9"	"DTXSID30165636"	"4-(P-chlorophenylthio)butanol"	"EPA_DSSTox"	"OCCCCSC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C10H13ClOS/c11-9-3-5-10(6-4-9)13-8-2-1-7-12/h3-6,12H,1-2,7-8H2"	"QCOAGIKQNXMJSJ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"15457-05-3"	"DTXSID7037553"	"Fluorodifen"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC(=CC=C1OC1C=CC(=CC=1)[N+]([O-])=O)C(F)(F)F"	"?"	"InChI=1S/C13H7F3N2O5/c14-13(15,16)8-1-6-12(11(7-8)18(21)22)23-10-4-2-9(3-5-10)17(19)20/h1-7H"	"HHMCAJWVGYGUEF-UHFFFAOYSA-N"	FALSE	TRUE	9000	4	5
"15458-87-4"	"DTXSID40165667"	"Cyclotrisilazane, 2,2,4,4,6,6-hexaethyl-"	"EPA_DSSTox"	"CC[Si]1(CC)N[Si](CC)(CC)N[Si](CC)(CC)N1"	"?"	"InChI=1S/C12H33N3Si3/c1-7-16(8-2)13-17(9-3,10-4)15-18(11-5,12-6)14-16/h13-15H,7-12H2,1-6H3"	"DFQSCSITPYBDDC-UHFFFAOYSA-N"	FALSE	FALSE	1920	3	4
"1546-95-8"	"DTXSID70165670"	"Heptanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-"	"EPA_DSSTox"	"OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F"	"?"	"InChI=1S/C7H2F12O2/c8-1(9)3(10,11)5(14,15)7(18,19)6(16,17)4(12,13)2(20)21/h1H,(H,20,21)"	"JZHDEEOTEUVLHR-UHFFFAOYSA-N"	FALSE	FALSE	1440	3	4
"154619-51-9"	NA	NA	"Public_CrossChecked"	"CN1CCC2(C)C1N(C)C1C=CC(=CC2=1)OC(=O)NCCCCCCCCN1CC(C)OC(C)C1"	"?"	"InChI=1S/C28H46N4O3/c1-21-19-32(20-22(2)34-21)16-11-9-7-6-8-10-15-29-27(33)35-23-12-13-25-24(18-23)28(3)14-17-30(4)26(28)31(25)5/h12-13,18,21-22,26H,6-11,14-17,19-20H2,1-5H3,(H,29,33)"	"CJMJXTWMGXRFOM-UHFFFAOYSA-N"	FALSE	FALSE	56	2	3
"154619-56-4"	NA	NA	"Public_CrossChecked"	"CN1CCC2(C)C1N(C)C1=CC=C(C=C21)OC(=O)NCCCCCCCCN1CCOCC1"	"?"	"InChI=1S/C26H42N4O3/c1-26-12-15-28(2)24(26)29(3)23-11-10-21(20-22(23)26)33-25(31)27-13-8-6-4-5-7-9-14-30-16-18-32-19-17-30/h10-11,20,24H,4-9,12-19H2,1-3H3,(H,27,31)"	"PLDHPJSOABLSHM-UHFFFAOYSA-N"	TRUE	FALSE	23	1	2
"154619-58-6"	NA	NA	"Public_CrossChecked"	"CN1CCN(CCCCCCCCNC(=O)OC2C=C3C(=CC=2)N(C)C2N(C)CCC32C)CC1"	"?"	"InChI=1S/C27H45N5O2/c1-27-13-16-30(3)25(27)31(4)24-12-11-22(21-23(24)27)34-26(33)28-14-9-7-5-6-8-10-15-32-19-17-29(2)18-20-32/h11-12,21,25H,5-10,13-20H2,1-4H3,(H,28,33)"	"HQJQIXPHVJANRK-UHFFFAOYSA-N"	TRUE	FALSE	27.7	1	2
"154619-64-4"	NA	NA	"Public_CrossChecked"	"CN1CCC2(C)C1N(C)C1=CC=C(C=C21)OC(=O)NCCCCCCCCCCN1CCOCC1"	"?"	"InChI=1S/C28H46N4O3/c1-28-14-17-30(2)26(28)31(3)25-13-12-23(22-24(25)28)35-27(33)29-15-10-8-6-4-5-7-9-11-16-32-18-20-34-21-19-32/h12-13,22,26H,4-11,14-21H2,1-3H3,(H,29,33)"	"VUNAAQIKHSGPRS-UHFFFAOYSA-N"	TRUE	FALSE	40	1	2
"154619-66-6"	NA	NA	"Public_CrossChecked"	"CN1CCC2(C)C1N(C)C1=CC=C(C=C21)OC(=O)NCCCCCCCCN1CCSCC1"	"?"	"InChI=1S/C26H42N4O2S/c1-26-12-15-28(2)24(26)29(3)23-11-10-21(20-22(23)26)32-25(31)27-13-8-6-4-5-7-9-14-30-16-18-33-19-17-30/h10-11,20,24H,4-9,12-19H2,1-3H3,(H,27,31)"	"IOZXPBFEPUGENK-UHFFFAOYSA-N"	TRUE	FALSE	23.8	1	2
"154619-76-8"	"DTXSID90165677"	"Carbamic acid, (10-(diethylamino)decyl)-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo(2,3-b)indol-5-yl ester, (3aS-cis)-"	"EPA_DSSTox"	"CN1CCC2(C)C1N(C)C1C=CC(=CC2=1)OC(=O)NCCCCCCCCCCN(CC)CC"	"?"	"InChI=1S/C28H48N4O2/c1-6-32(7-2)20-15-13-11-9-8-10-12-14-19-29-27(33)34-23-16-17-25-24(22-23)28(3)18-21-30(4)26(28)31(25)5/h16-17,22,26H,6-15,18-21H2,1-5H3,(H,29,33)"	"XPYOTOILDHIUOE-UHFFFAOYSA-N"	TRUE	FALSE	14.1	1	2
"154619-86-0"	"DTXSID50165678"	"Carbamic acid, (8-(dipropylamino)octyl)-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo(2,3-b)indol-5-yl ester, (3aS-cis)-"	"EPA_DSSTox"	"CN1CCC2(C)C1N(C)C1C=CC(=CC2=1)OC(=O)NCCCCCCCCN(CCC)CCC"	"?"	"InChI=1S/C28H48N4O2/c1-6-18-32(19-7-2)20-13-11-9-8-10-12-17-29-27(33)34-23-14-15-25-24(22-23)28(3)16-21-30(4)26(28)31(25)5/h14-15,22,26H,6-13,16-21H2,1-5H3,(H,29,33)"	"UXCFQYWYUVLGBQ-UHFFFAOYSA-N"	TRUE	FALSE	18.28	1	2
"154619-91-7"	"DTXSID10165679"	"Carbamic acid, (10-(1-piperidinyl)decyl)-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo(2,3-b)indol-5-yl ester, (3aS-cis)-"	"EPA_DSSTox"	"CN1CCC2(C)C1N(C)C1C=CC(=CC2=1)OC(=O)NCCCCCCCCCCN1CCCCC1"	"?"	"InChI=1S/C29H48N4O2/c1-29-17-22-31(2)27(29)32(3)26-16-15-24(23-25(26)29)35-28(34)30-18-11-8-6-4-5-7-9-12-19-33-20-13-10-14-21-33/h15-16,23,27H,4-14,17-22H2,1-3H3,(H,30,34)"	"ALAWSQXXUIFMOD-UHFFFAOYSA-N"	TRUE	FALSE	15.3	1	2
"154702-15-5"	NA	NA	"Public_CrossChecked"	"CC(C)(C)NC(=O)C1C=CC(=CC=1)NC1N=C(NC2C=CC(=CC=2)C(=O)OCC(CCCC)CC)N=C(NC2C=CC(=CC=2)C(=O)OCC(CCCC)CC)N=1"	"?"	"InChI=1S/C44H59N7O5/c1-8-12-14-30(10-3)28-55-39(53)33-18-24-36(25-19-33)46-42-48-41(45-35-22-16-32(17-23-35)38(52)51-44(5,6)7)49-43(50-42)47-37-26-20-34(21-27-37)40(54)56-29-31(11-4)15-13-9-2/h16-27,30-31H,8-15,28-29H2,1-7H3,(H,51,52)(H3,45,46,47,48,49,50)"	"OSCJHTSDLYVCQC-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"15471-17-7"	"DTXSID3044592"	"3-(Pyridinium-1-yl)propane-1-sulfonate"	"EPA_DSSTox"	"OS(=O)(=O)CCC[N+]1C=CC=CC=1"	"?"	"InChI=1S/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2/p+1"	"REEBJQTUIJTGAL-UHFFFAOYSA-O"	FALSE	TRUE	NA	4	5
"154825-97-5"	"DTXSID80394676"	"METHYL 2-(4-BROMOPHENYL)-2,2-DIMETHYLACETATE"	"EPA_DSSTox"	"COC(=O)C(C)(C)C1C=CC(Br)=CC=1"	"?"	"InChI=1S/C11H13BrO2/c1-11(2,10(13)14-3)8-4-6-9(12)7-5-8/h4-7H,1-3H3"	"JTYDXPPFLQSEAQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"155-41-9"	"DTXSID2040608"	"Scopolamine methylbromide"	"EPA_DSSTox"	"C[N+]1(C)C2CC(CC1C1OC12)OC(=O)C(CO)C1C=CC=CC=1"	"[Br-]"	"InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1"	"LZCOQTDXKCNBEE-UHFFFAOYSA-N"	FALSE	TRUE	3400	3	5
"15503-86-3"	"DTXSID4020747"	"Isatidine"	"EPA_DSSTox"	"CC1CC(=CC)C(=O)OC2CC[N+]3([O-])CC=C(COC(=O)C1(O)CO)C32"	"?"	"InChI=1S/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3"	"IDIMIWQPUHURPV-UHFFFAOYSA-N"	TRUE	FALSE	48	1	2
"15518-76-0"	NA	NA	"Public_CrossChecked"	"O=C1NC(=O)C2CC12C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C11H8ClNO2/c12-7-3-1-6(2-4-7)11-5-8(11)9(14)13-10(11)15/h1-4,8H,5H2,(H,13,14,15)"	"YYGANUVABKDFDW-UHFFFAOYSA-N"	FALSE	FALSE	1550	3	4
"15520-10-2"	"DTXSID5027772"	"2-Methylpentanediamine"	"EPA_DSSTox"	"CC(CCCN)CN"	"?"	"InChI=1S/C6H16N2/c1-6(5-8)3-2-4-7/h6H,2-5,7-8H2,1H3"	"JZUHIOJYCPIVLQ-UHFFFAOYSA-N"	FALSE	FALSE	1690	3	4
"15520-11-3"	"DTXSID8065907"	"Peroxydicarbonic acid, C,C'-bis[4-(1,1-dimethylethyl)cyclohexyl] ester"	"EPA_DSSTox"	"CC(C)(C)C1CCC(CC1)OC(=O)OOC(=O)OC1CCC(CC1)C(C)(C)C"	"?"	"InChI=1S/C22H38O6/c1-21(2,3)15-7-11-17(12-8-15)25-19(23)27-28-20(24)26-18-13-9-16(10-14-18)22(4,5)6/h15-18H,7-14H2,1-6H3"	"NOBYOEQUFMGXBP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"15523-43-0"	"DTXSID00165860"	"Ethane, 1-(2-ethoxyethoxy)-2-(hexyloxy)-"	"EPA_DSSTox"	"CCCCCCOCCOCCOCC"	"?"	"InChI=1S/C12H26O3/c1-3-5-6-7-8-14-11-12-15-10-9-13-4-2/h3-12H2,1-2H3"	"HQUNMWUTHYTUPO-UHFFFAOYSA-N"	FALSE	TRUE	4920	3	5
"1553-34-0"	"DTXSID8045359"	"Metixene hydrochloride"	"EPA_DSSTox"	"CN1CC(CC2C3C=CC=CC=3SC3C=CC=CC=32)CCC1"	"Cl"	"InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3"	"MJFJKKXQDNNUJF-UHFFFAOYSA-N"	FALSE	FALSE	1460	3	4
"1553-60-2"	"DTXSID0044107"	"Ibufenac"	"EPA_DSSTox"	"CC(C)CC1C=CC(CC(O)=O)=CC=1"	"?"	"InChI=1S/C12H16O2/c1-9(2)7-10-3-5-11(6-4-10)8-12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)"	"CYWFCPPBTWOZSF-UHFFFAOYSA-N"	FALSE	TRUE	2300	3	5
"15536-01-3"	NA	NA	"Public_CrossChecked"	"COP(=O)(CC)OC1C=CC(=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C9H12NO5P/c1-3-16(13,14-2)15-9-6-4-8(5-7-9)10(11)12/h4-7H,3H2,1-2H3"	"ANOLNVUBNLISAF-UHFFFAOYSA-N"	TRUE	FALSE	1.5	1	1
"15545-38-7"	"DTXSID40165900"	"4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-(((4-methylphenoxy)acetyl)amino)-7-oxo-, monopotassium salt, (2S-(2-alpha,5-alpha,6-beta))-"	"EPA_DSSTox"	"CC1C=CC(=CC=1)OCC(=O)NC1C2SC(C)(C)C(C(O)=O)N2C1=O"	"[K+]"	"InChI=1S/C17H20N2O5S/c1-9-4-6-10(7-5-9)24-8-11(20)18-12-14(21)19-13(16(22)23)17(2,3)25-15(12)19/h4-7,12-13,15H,8H2,1-3H3,(H,18,20)(H,22,23)"	"PSHRTKHMFMNJFD-UHFFFAOYSA-N"	FALSE	FALSE	1875	3	4
"15545-42-3"	"DTXSID00165901"	"4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((4-chloro-3-methylphenoxy)acetyl)amino)-3,3-dimethyl-7-oxo-, monopotassium salt, (2S-(2-alpha,5-alpha,6-beta))-"	"EPA_DSSTox"	"CC1C=C(C=CC=1Cl)OCC(=O)NC1C2SC(C)(C)C(C(O)=O)N2C1=O"	"[K+]"	"InChI=1S/C17H19ClN2O5S/c1-8-6-9(4-5-10(8)18)25-7-11(21)19-12-14(22)20-13(16(23)24)17(2,3)26-15(12)20/h4-6,12-13,15H,7H2,1-3H3,(H,19,21)(H,23,24)"	"UPALXUXRXFREQD-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"15545-48-9"	"DTXSID8052853"	"Chlorotoluron"	"EPA_DSSTox"	"CC1C=CC(=CC=1Cl)NC(=O)N(C)C"	"?"	"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"	FALSE	TRUE	5800	4	5
"1555-58-4"	"DTXSID2061773"	"Propanenitrile, 3,3'-(methylimino)bis-"	"EPA_DSSTox"	"CN(CCC#N)CCC#N"	"?"	"InChI=1S/C7H11N3/c1-10(6-2-4-8)7-3-5-9/h2-3,6-7H2,1H3"	"NPMCIHCQSNHBDX-UHFFFAOYSA-N"	FALSE	FALSE	890	3	4
"155601-30-2"	"DTXSID20165928"	"4,5-Diamino-1-(2-hydroxyethyl)pyrazole sulfate"	"EPA_DSSTox"	"NC1=C(N)C=NN1CCO"	"S(O)(O)(=O)=O"	"InChI=1S/C5H10N4O/c6-4-3-8-9(1-2-10)5(4)7/h3,10H,1-2,6-7H2"	"KDBUTNSQYYLYOY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"15574-96-6"	"DTXSID6023490"	"Pizotyline"	"EPA_DSSTox"	"CN1CCC(CC1)=C1C2=CC=CC=C2CCC2SC=CC=21"	"?"	"InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3"	"FIADGNVRKBPQEU-UHFFFAOYSA-N"	FALSE	FALSE	410	2	4
"1559-35-9"	"DTXSID1041920"	"2-(2-Ethylhexyloxy)ethanol"	"EPA_DSSTox"	"CCCCC(COCCO)CC"	"?"	"InChI=1S/C10H22O2/c1-3-5-6-10(4-2)9-12-8-7-11/h10-11H,3-9H2,1-2H3"	"OHJYHAOODFPJOD-UHFFFAOYSA-N"	FALSE	TRUE	3080	3	5
"156-60-5"	"DTXSID7024031"	"(E)-1,2-Dichloroethylene"	"EPA_DSSTox"	"ClC=CCl"	"?"	"InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H"	"KFUSEUYYWQURPO-UHFFFAOYSA-N"	FALSE	FALSE	1235	3	4
"156-62-7"	"DTXSID6020353"	"Calcium cyanamide"	"EPA_DSSTox"	"NC#N"	"[Ca+2]"	"InChI=1S/CH2N2/c2-1-3/h2H2"	"XZMCDFZZKTWFGF-UHFFFAOYSA-N"	FALSE	FALSE	158	2	3
"1561-48-4"	"DTXSID70166046"	"Nonane, 1,1,1,9-tetrachloro-"	"EPA_DSSTox"	"ClCCCCCCCCC(Cl)(Cl)Cl"	"?"	"InChI=1S/C9H16Cl4/c10-8-6-4-2-1-3-5-7-9(11,12)13/h1-8H2"	"PVWUJBDIDCVQCR-UHFFFAOYSA-N"	FALSE	FALSE	370	2	4
"1562-00-1"	"DTXSID7027413"	"Sodium 2-hydroxyethanesulfonate"	"EPA_DSSTox"	"OCCS(O)(=O)=O"	"[Na+]"	"InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6)"	"SUMDYPCJJOFFON-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"15622-65-8"	"DTXSID5045417"	"Molindone hydrochloride"	"EPA_DSSTox"	"CC1NC2CCC(CN3CCOCC3)C(=O)C=2C=1CC"	"Cl"	"InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3"	"KLPWJLBORRMFGK-UHFFFAOYSA-N"	FALSE	FALSE	261	2	3
"1563-67-3"	"DTXSID3057985"	"Decarbofuran"	"EPA_DSSTox"	"C/N=C(\O)/OC1=CC=CC2CC(C)OC1=2"	"?"	"InChI=1S/C11H13NO3/c1-7-6-8-4-3-5-9(10(8)14-7)15-11(13)12-2/h3-5,7H,6H2,1-2H3,(H,12,13)"	"JTBBRGSSVACAJM-UHFFFAOYSA-N"	TRUE	FALSE	43	1	2
"1565-75-9"	NA	NA	"Public_CrossChecked"	"CCC(C)(O)C1C=CC=CC=1"	"?"	"InChI=1S/C10H14O/c1-3-10(2,11)9-7-5-4-6-8-9/h4-8,11H,3H2,1-2H3"	"XGLHYBVJPSZXIF-UHFFFAOYSA-N"	FALSE	FALSE	1400	3	4
"15662-33-6"	"DTXSID0032574"	"Ryanodine"	"EPA_DSSTox"	"CC(C)C1(O)C(OC(=O)C2=CC=CN2)C2(O)C3(O)C45OC(O)(CC2(C)C4(O)CCC(C)C5O)C31C"	"?"	"InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12-13,15,17,26-27,29-33H,8-9,11H2,1-5H3"	"JJSYXNQGLHBRRK-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"15667-63-7"	NA	NA	"Public_CrossChecked"	"CC(=O)OC(C=C)C#N"	"?"	"InChI=1S/C6H7NO2/c1-3-6(4-7)9-5(2)8/h3,6H,1H2,2H3"	"MEHLEOUIWVWVBF-UHFFFAOYSA-N"	TRUE	FALSE	31.6	1	2
"15676-16-1"	"DTXSID1042574"	"(RS)-(+/-)-sulpiride"	"EPA_DSSTox"	"CCN1CCCC1CNC(=O)C1=CC(=CC=C1OC)S(N)(=O)=O"	"?"	"InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)"	"BGRJTUBHPOOWDU-UHFFFAOYSA-N"	FALSE	TRUE	9800	4	5
"1568-80-5"	"DTXSID3051753"	"3,3,3',3'-Tetramethyl-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-6,6'-diol"	"EPA_DSSTox"	"CC1(C)CC2(CC(C)(C)C3=CC=C(O)C=C23)C2C=C(O)C=CC1=2"	"?"	"InChI=1S/C21H24O2/c1-19(2)11-21(17-9-13(22)5-7-15(17)19)12-20(3,4)16-8-6-14(23)10-18(16)21/h5-10,22-23H,11-12H2,1-4H3"	"SICLLPHPVFCNTJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"15686-83-6"	"DTXSID5023538"	"Pyrantel"	"EPA_DSSTox"	"CN1CCCN=C1C=CC1=CC=CS1"	"?"	"InChI=1S/C11H14N2S/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h2,4-6,9H,3,7-8H2,1H3"	"YSAUAVHXTIETRK-UHFFFAOYSA-N"	FALSE	FALSE	170	2	3
"1569-01-3"	"DTXSID5029217"	"1-Propoxy-2-propanol"	"EPA_DSSTox"	"CCCOCC(C)O"	"?"	"InChI=1S/C6H14O2/c1-3-4-8-5-6(2)7/h6-7H,3-5H2,1-2H3"	"FENFUOGYJVOCRY-UHFFFAOYSA-N"	FALSE	TRUE	2490	3	5
"1569-02-4"	"DTXSID1041267"	"1-Ethoxy-2-propanol"	"EPA_DSSTox"	"CCOCC(C)O"	"?"	"InChI=1S/C5H12O2/c1-3-7-4-5(2)6/h5-6H,3-4H2,1-2H3"	"JOLQKTGDSGKSKJ-UHFFFAOYSA-N"	FALSE	TRUE	4400	3	5
"1570-64-5"	"DTXSID5022510"	"4-Chloro-2-methylphenol"	"EPA_DSSTox"	"CC1C=C(Cl)C=CC=1O"	"?"	"InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3"	"RHPUJHQBPORFGV-UHFFFAOYSA-N"	FALSE	FALSE	1190	3	4
"15707-23-0"	"DTXSID4047464"	"3-Ethyl-2-methylpyrazine"	"EPA_DSSTox"	"CC1=NC=CN=C1CC"	"?"	"InChI=1S/C7H10N2/c1-3-7-6(2)8-4-5-9-7/h4-5H,3H2,1-2H3"	"LNIMMWYNSBZESE-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"15708-41-5"	"DTXSID5027774"	"Ethylenediaminetetraacetic acid ferric sodium salt"	"EPA_DSSTox"	"OC(=O)CN(CC(O)=O)CCN(CC(O)=O)CC(O)=O"	"[Fe+3].[Na+]"	"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"	FALSE	TRUE	5001	4	5
"1571-33-1"	"DTXSID2044399"	"Phenylphosphonic acid"	"EPA_DSSTox"	"OP(O)(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)"	"QLZHNIAADXEJJP-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"157173-60-9"	NA	NA	"Public_CrossChecked"	"COC1C=CC(=CC=1)C1=CC2C=CC=CC=2OC1C1C=CC(=CC=1)OCCN1CCCCC1"	"?"	"InChI=1S/C29H31NO3/c1-31-25-13-9-22(10-14-25)27-21-24-7-3-4-8-28(24)33-29(27)23-11-15-26(16-12-23)32-20-19-30-17-5-2-6-18-30/h3-4,7-16,21,29H,2,5-6,17-20H2,1H3"	"CLSQFRZGLVXJHC-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"1572-55-0"	"DTXSID80883696"	"1,8-Octanediamine, 4-(aminomethyl)-"	"EPA_DSSTox"	"NCC(CCCCN)CCCN"	"?"	"InChI=1S/C9H23N3/c10-6-2-1-4-9(8-12)5-3-7-11/h9H,1-8,10-12H2"	"HMJBXEZHJUYJQY-UHFFFAOYSA-N"	FALSE	FALSE	760	3	4
"15721-78-5"	"DTXSID3029310"	"4,4'-bis(1,1,3,3-Tetramethylbutyl)diphenylamine"	"EPA_DSSTox"	"CC(C)(C)CC(C)(C)C1C=CC(=CC=1)NC1C=CC(=CC=1)C(C)(C)CC(C)(C)C"	"?"	"InChI=1S/C28H43N/c1-25(2,3)19-27(7,8)21-11-15-23(16-12-21)29-24-17-13-22(14-18-24)28(9,10)20-26(4,5)6/h11-18,29H,19-20H2,1-10H3"	"GQBHYWDCHSZDQU-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"15730-83-3"	"DTXSID90166245"	"Sulfanilic acid, compd. with 2-aminoethanol (1:1)"	"EPA_DSSTox"	"NC1=CC=C(C=C1)S(O)(=O)=O"	"OCCN"	"InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)"	"HVBSAKJJOYLTQU-UHFFFAOYSA-N"	FALSE	TRUE	5380	4	5
"157309-18-7"	"DTXSID10166247"	"1H-Purine-2,6-dione, 3,7-dihydro-7-(2-(cyclohexylmethylamino)ethyl)-1,3-dimethyl-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)"	"EPA_DSSTox"	"CN(CCN1C=NC2=C1C(=O)N(C)C(=O)N2C)C1CCCCC1"	"O[C@H]([C@@H](O)C(O)=O)C(O)=O"	"InChI=1S/C16H25N5O2/c1-18(12-7-5-4-6-8-12)9-10-21-11-17-14-13(21)15(22)20(3)16(23)19(14)2/h11-12H,4-10H2,1-3H3"	"CABVCHSHFCSWNL-UHFFFAOYSA-N"	FALSE	TRUE	2880	3	5
"15741-90-9"	"DTXSID20166258"	"Carbonic acid, 2,4-dinitrophenyl octyl ester"	"EPA_DSSTox"	"CCCCCCCCOC(=O)OC1C=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C15H20N2O7/c1-2-3-4-5-6-7-10-23-15(18)24-14-9-8-12(16(19)20)11-13(14)17(21)22/h8-9,11H,2-7,10H2,1H3"	"PTZVTZJWTIHIEE-UHFFFAOYSA-N"	FALSE	FALSE	196	2	3
"15743-13-2"	"DTXSID90166260"	"Tetrachlorocyclopentene-2,4-dione"	"EPA_DSSTox"	"O=C1C(Cl)=C(Cl)C(=O)C1(Cl)Cl"	"?"	"InChI=1S/C5Cl4O2/c6-1-2(7)4(11)5(8,9)3(1)10"	"QXHDKANPDPYPIC-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"1575-61-7"	"DTXSID60166272"	"Valeryl chloride, 5-chloro-"	"EPA_DSSTox"	"O=C(Cl)CCCCCl"	"?"	"InChI=1S/C5H8Cl2O/c6-4-2-1-3-5(7)8/h1-4H2"	"SVNNWKWHLOJLOK-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"1576-35-8"	"DTXSID8051756"	"Toluene-4-sulphonohydrazide"	"EPA_DSSTox"	"CC1=CC=C(C=C1)S(=O)(=O)NN"	"?"	"InChI=1S/C7H10N2O2S/c1-6-2-4-7(5-3-6)12(10,11)9-8/h2-5,9H,8H2,1H3"	"ICGLPKIVTVWCFT-UHFFFAOYSA-N"	FALSE	FALSE	283	2	3
"15763-48-1"	NA	NA	"Public_CrossChecked"	"CC1=CS/C(=C\C2SC=C(C)[N+]=2CCCCCCC)/N1CCCCCCC"	"[I-]"	"InChI=1S/C23H39N2S2/c1-5-7-9-11-13-15-24-20(3)18-26-22(24)17-23-25(21(4)19-27-23)16-14-12-10-8-6-2/h17-19H,5-16H2,1-4H3/q+1"	"WDUDHDNQGNWNCF-UHFFFAOYSA-N"	FALSE	FALSE	460	2	4
"15763-76-5"	"DTXSID6047523"	"Sodium 4-isopropylbenzenesulfonate"	"EPA_DSSTox"	"CC(C)C1C=CC(=CC=1)S(O)(=O)=O"	"[Na+]"	"InChI=1S/C9H12O3S/c1-7(2)8-3-5-9(6-4-8)13(10,11)12/h3-7H,1-2H3,(H,10,11,12)"	"CVLHGLWXLDOELD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"157859-20-6"	"DTXSID10166323"	"Tri-isopropyl silyl acrylate"	"EPA_DSSTox"	"CC(C)[Si](OC(=O)C=C)(C(C)C)C(C)C"	"?"	"InChI=1S/C12H24O2Si/c1-8-12(13)14-15(9(2)3,10(4)5)11(6)7/h8-11H,1H2,2-7H3"	"PQSIXYSSKXAOFE-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"15826-16-1"	"DTXSID70274019"	"2-(Dodecyloxy)ethyl sodium sulfate"	"EPA_DSSTox"	"CCCCCCCCCCCCOCCOS(O)(=O)=O"	"[Na+]"	"InChI=1S/C14H30O5S/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17/h2-14H2,1H3,(H,15,16,17)"	"QTDIEDOANJISNP-UHFFFAOYSA-N"	FALSE	FALSE	1995	3	4
"15826-37-6"	"DTXSID7044554"	"Cromolyn sodium"	"EPA_DSSTox"	"OC(=O)C1=CC(=O)C2C(=CC=CC=2OCC(O)COC2=CC=CC3OC(=CC(=O)C=32)C(O)=O)O1"	"[Na+].[Na+]"	"InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)"	"IMZMKUWMOSJXDT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"15862-11-0"	"DTXSID60166479"	"N-Nitrosophenacetin"	"EPA_DSSTox"	"CC(=O)N(N=O)C1C=CC(=CC=1)OCC"	"?"	"InChI=1S/C10H12N2O3/c1-3-15-10-6-4-9(5-7-10)12(11-14)8(2)13/h4-7H,3H2,1-2H3"	"ANFMPQMRMNEDCD-UHFFFAOYSA-N"	TRUE	FALSE	21	1	2
"15863-65-7"	NA	NA	"Public_CrossChecked"	"COP(=S)(OC(C)C)SCN1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C13H16NO4PS2/c1-9(2)18-19(20,17-3)21-8-14-12(15)10-6-4-5-7-11(10)13(14)16/h4-7,9H,8H2,1-3H3"	"IGLNHDRBNYJMAY-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"15876-67-2"	NA	NA	"Public_CrossChecked"	"C[N+]1C=C(C=CC=1)OC(=O)N(C)CCCCCCN(C)C(=O)OC1C=[N+](C)C=CC=1"	"[Br-].[Br-]"	"InChI=1S/C22H32N4O4/c1-23-13-9-11-19(17-23)29-21(27)25(3)15-7-5-6-8-16-26(4)22(28)30-20-12-10-14-24(2)18-20/h9-14,17-18H,5-8,15-16H2,1-4H3/q+2"	"AHZBEVXBKNYXPU-UHFFFAOYSA-N"	TRUE	FALSE	10	1	2
"15878-00-9"	"DTXSID90166523"	"1H-Pyrazole, 4-chloro- (9CI)"	"EPA_DSSTox"	"ClC1=CNN=C1"	"?"	"InChI=1S/C3H3ClN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)"	"BADSZRMNXWLUKO-UHFFFAOYSA-N"	FALSE	FALSE	527	3	4
"15878-08-7"	"DTXSID50166524"	"Pyrazole, 4-chloro-3-methyl-"	"EPA_DSSTox"	"CC1NN=CC=1Cl"	"?"	"InChI=1S/C4H5ClN2/c1-3-4(5)2-6-7-3/h2H,1H3,(H,6,7)"	"LCDKUXJKMAFCTI-UHFFFAOYSA-N"	FALSE	FALSE	375	2	4
"15879-93-3"	"DTXSID4020088"	"Chloralose"	"EPA_DSSTox"	"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"	FALSE	FALSE	400	2	4
"158792-23-5"	NA	NA	"Public_CrossChecked"	"CC1C(OC(=O)C2C(OC)=C(C)C(O)=C(C)C=2C)=C(C)C(O)=C(C(=O)OC2=C(C)C(OC)=C(C(O)=O)C(C)=C2C)C=1C"	"?"	"InChI=1S/C32H36O10/c1-12-15(4)24(33)18(7)28(39-10)23(12)32(38)41-26-16(5)13(2)21(25(34)19(26)8)31(37)42-27-17(6)14(3)22(30(35)36)29(40-11)20(27)9/h33-34H,1-11H3,(H,35,36)"	"UESGSZFVMHDIFM-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"158836-71-6"	NA	NA	"Public_CrossChecked"	"CC(C1C=CC(=C(F)C=1)C1C=CC=CC=1)C(=O)OCCCCO[N+]([O-])=O"	"?"	"InChI=1S/C19H20FNO5/c1-14(19(22)25-11-5-6-12-26-21(23)24)16-9-10-17(18(20)13-16)15-7-3-2-4-8-15/h2-4,7-10,13-14H,5-6,11-12H2,1H3"	"DLWSRGHNJVLJAH-UHFFFAOYSA-N"	FALSE	FALSE	341	2	4
"1589-47-5"	"DTXSID5049441"	"2-Methoxy-1-propanol"	"EPA_DSSTox"	"COC(C)CO"	"?"	"InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3"	"YTTFFPATQICAQN-UHFFFAOYSA-N"	FALSE	TRUE	5710	4	5
"1589-49-7"	"DTXSID9073129"	"Trimethylene glycol monomethyl ether"	"EPA_DSSTox"	"COCCCO"	"?"	"InChI=1S/C4H10O2/c1-6-4-2-3-5/h5H,2-4H2,1H3"	"JDFDHBSESGTDAL-UHFFFAOYSA-N"	FALSE	TRUE	5710	4	5
"15894-70-9"	"DTXSID2065967"	"Guanidine, N,N'''-1,6-hexanediylbis[N'-cyano-"	"EPA_DSSTox"	"[H]/N=C(\NC#N)/NCCCCCCN/C(/NC#N)=N/[H]"	"?"	"InChI=1S/C10H18N8/c11-7-17-9(13)15-5-3-1-2-4-6-16-10(14)18-8-12/h1-6H2,(H3,13,15,17)(H3,14,16,18)"	"YXZZOMVBHPCKMM-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"15911-11-2"	"DTXSID10166585"	"3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, ethyl ester"	"EPA_DSSTox"	"CC(=O)C1C(=NOC=1C)C(=O)OCC"	"?"	"InChI=1S/C9H11NO4/c1-4-13-9(12)8-7(5(2)11)6(3)14-10-8/h4H2,1-3H3"	"KABXFHWGNZLDTD-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"15911-15-6"	"DTXSID70166586"	"Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-6-phenyl-"	"EPA_DSSTox"	"CC1=NN(C(=O)C2=NOC(C)=C12)C1C=CC=CC=1"	"?"	"InChI=1S/C13H11N3O2/c1-8-11-9(2)18-15-12(11)13(17)16(14-8)10-6-4-3-5-7-10/h3-7H,1-2H3"	"YNMXHASRQBEXMM-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"159264-96-7"	NA	NA	"Public_CrossChecked"	"CC1CC2=CC(=CC=C2O1)C(=O)CCC1C=CC=CC=1"	"?"	"InChI=1S/C18H18O2/c1-13-11-16-12-15(8-10-18(16)20-13)17(19)9-7-14-5-3-2-4-6-14/h2-6,8,10,12-13H,7,9,11H2,1H3"	"BIDJZAWEWJHSNW-UHFFFAOYSA-N"	FALSE	TRUE	2150	3	5
"1593-27-7"	NA	NA	"Public_CrossChecked"	"CCP(=S)(OC1C=CC(Cl)=CC=1Cl)OCC"	"?"	"InChI=1S/C10H13Cl2O2PS/c1-3-13-15(16,4-2)14-10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3"	"CFMXHMRTOXUWQI-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"1593-77-7"	"DTXSID5041019"	"Dodemorph"	"EPA_DSSTox"	"CC1CN(CC(C)O1)C1CCCCCCCCCCC1"	"?"	"InChI=1S/C18H35NO/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18/h16-18H,3-15H2,1-2H3"	"JMXKCYUTURMERF-UHFFFAOYSA-N"	FALSE	TRUE	2645	3	5
"15932-80-6"	"DTXSID3051757"	"Pulegone"	"EPA_DSSTox"	"CC(C)=C1CCC(C)CC1=O"	"?"	"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3"	"NZGWDASTMWDZIW-UHFFFAOYSA-N"	FALSE	FALSE	470	2	4
"159325-45-8"	"DTXSID60717849"	"(2alpha,3alpha,8xi,9xi,14xi,16beta)-16-(Pyrrolidin-1-yl)-2,3-epoxyandrostan-17-one"	"EPA_DSSTox"	"CC12CCC3C(CCC4CC5OC5CC43C)C1CC(C2=O)N1CCCC1"	"?"	"InChI=1S/C23H35NO2/c1-22-8-7-16-15(6-5-14-11-19-20(26-19)13-23(14,16)2)17(22)12-18(21(22)25)24-9-3-4-10-24/h14-20H,3-13H2,1-2H3"	"ZZMJTNMGPPBIOY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"15942-48-0"	"DTXSID00166655"	"Carbamic acid, methyl-, 2-chloro-5-tert-pentylphenyl ester"	"EPA_DSSTox"	"CCC(C)(C)C1=CC(OC(=O)NC)=C(Cl)C=C1"	"?"	"InChI=1S/C13H18ClNO2/c1-5-13(2,3)9-6-7-10(14)11(8-9)17-12(16)15-4/h6-8H,5H2,1-4H3,(H,15,16)"	"BBRASQCNDLKYHM-UHFFFAOYSA-N"	FALSE	FALSE	75	2	3
"1596-09-4"	"DTXSID80166693"	"Phenol, 2-cyclohexyl-4-methyl-"	"EPA_DSSTox"	"CC1=CC(C2CCCCC2)=C(O)C=C1"	"?"	"InChI=1S/C13H18O/c1-10-7-8-13(14)12(9-10)11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3"	"GTLMTHAWEBRMGI-UHFFFAOYSA-N"	FALSE	FALSE	1871	3	4
"1596-84-5"	"DTXSID9020370"	"Daminozide"	"EPA_DSSTox"	"CN(C)NC(=O)CCC(O)=O"	"?"	"InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)"	"NOQGZXFMHARMLW-UHFFFAOYSA-N"	FALSE	TRUE	8400	4	5
"15972-60-8"	"DTXSID1022265"	"Alachlor"	"EPA_DSSTox"	"COCN(C(=O)CCl)C1C(CC)=CC=CC=1CC"	"?"	"InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3"	"XCSGPAVHZFQHGE-UHFFFAOYSA-N"	FALSE	FALSE	790	3	4
"15980-15-1"	"DTXSID0065985"	"1,4-Oxathiane"	"EPA_DSSTox"	"C1CSCCO1"	"?"	"InChI=1S/C4H8OS/c1-3-6-4-2-5-1/h1-4H2"	"JBYHSSAVUBIJMK-UHFFFAOYSA-N"	FALSE	TRUE	2830	3	5
"15992-13-9"	"DTXSID00166771"	"Intrazole"	"EPA_DSSTox"	"O=C(C1C=CC(Cl)=CC=1)N1C=C(CC2=NNN=N2)C2C=CC=CC1=2"	"?"	"InChI=1S/C17H12ClN5O/c18-13-7-5-11(6-8-13)17(24)23-10-12(9-16-19-21-22-20-16)14-3-1-2-4-15(14)23/h1-8,10H,9H2,(H,19,20,21,22)"	"ZDHHGGFQZRPUSN-UHFFFAOYSA-N"	FALSE	FALSE	1200	3	4
"16006-72-7"	"DTXSID20166793"	"3-Pyrazolin-5-one, 4-butyl-1,2-diphenyl-3-hydroxy-, benzoate (ester)"	"EPA_DSSTox"	"CCCCC1=C(OC(=O)C2C=CC=CC=2)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O"	"?"	"InChI=1S/C26H24N2O3/c1-2-3-19-23-24(29)27(21-15-9-5-10-16-21)28(22-17-11-6-12-18-22)25(23)31-26(30)20-13-7-4-8-14-20/h4-18H,2-3,19H2,1H3"	"MIVNCMFURGSPBC-UHFFFAOYSA-N"	FALSE	TRUE	2198	3	5
"16006-74-9"	"DTXSID40166795"	"Phenylbutazone trimethylgallate"	"EPA_DSSTox"	"CCCCC1=C(OC(=O)C2=CC(OC)=C(OC)C(=C2)OC)N(C2C=CC=CC=2)N(C1=O)C1C=CC=CC=1"	"?"	"InChI=1S/C29H30N2O6/c1-5-6-17-23-27(32)30(21-13-9-7-10-14-21)31(22-15-11-8-12-16-22)28(23)37-29(33)20-18-24(34-2)26(36-4)25(19-20)35-3/h7-16,18-19H,5-6,17H2,1-4H3"	"LAVQJQXAUQINRC-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"16006-75-0"	"DTXSID00166796"	"Benzoic acid, 3,4,5-trimethoxy-, ester with 1,2-diphenyl-3-hydroxy-4-(3-oxobutyl)-3-pyrazolin-5-one"	"EPA_DSSTox"	"CC(=O)CCC1=C(OC(=O)C2=CC(OC)=C(OC)C(=C2)OC)N(C2C=CC=CC=2)N(C1=O)C1C=CC=CC=1"	"?"	"InChI=1S/C29H28N2O7/c1-19(32)15-16-23-27(33)30(21-11-7-5-8-12-21)31(22-13-9-6-10-14-22)28(23)38-29(34)20-17-24(35-2)26(37-4)25(18-20)36-3/h5-14,17-18H,15-16H2,1-4H3"	"NPACHMXGQKWFIO-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"160194-28-5"	"DTXSID60700211"	"Triethyl{[1-(triethylsilyl)but-3-yn-1-yl]oxy}silane"	"EPA_DSSTox"	"CC[Si](CC)(CC)C(CC#C)O[Si](CC)(CC)CC"	"?"	"InChI=1S/C16H34OSi2/c1-8-15-16(18(9-2,10-3)11-4)17-19(12-5,13-6)14-7/h1,16H,9-15H2,2-7H3"	"IKKJQPSGUKHHKU-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1603-40-3"	"DTXSID3051759"	"2-Amino-3-methylpyridine"	"EPA_DSSTox"	"CC1C=CC=NC=1N"	"?"	"InChI=1S/C6H8N2/c1-5-3-2-4-8-6(5)7/h2-4H,1H3,(H2,7,8)"	"RGDQRXPEZUNWHX-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"1603-41-4"	"DTXSID4029220"	"5-Methylpyridin-2-amine"	"EPA_DSSTox"	"CC1=CC=C(N)N=C1"	"?"	"InChI=1S/C6H8N2/c1-5-2-3-6(7)8-4-5/h2-4H,1H3,(H2,7,8)"	"CMBSSVKZOPZBKW-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"16033-21-9"	"DTXSID50166862"	"3-Methyl-1-phenyltriazene"	"EPA_DSSTox"	"C/N=N/NC1C=CC=CC=1"	"?"	"InChI=1S/C7H9N3/c1-8-10-9-7-5-3-2-4-6-7/h2-6H,1H3,(H,8,9)"	"MPEZFYGMDYORDA-UHFFFAOYSA-N"	FALSE	FALSE	420	2	4
"16034-77-8"	"DTXSID2023149"	"Iocetamic acid"	"EPA_DSSTox"	"CC(=O)N(CC(C)C(O)=O)C1=C(I)C=C(I)C(N)=C1I"	"?"	"InChI=1S/C12H13I3N2O3/c1-5(12(19)20)4-17(6(2)18)11-8(14)3-7(13)10(16)9(11)15/h3,5H,4,16H2,1-2H3,(H,19,20)"	"GSVQIUGOUKJHRC-UHFFFAOYSA-N"	FALSE	TRUE	7100	4	5
"16051-77-7"	"DTXSID9023176"	"Isosorbide mononitrate"	"EPA_DSSTox"	"[O-][N+](=O)OC1COC2C(O)COC12"	"?"	"InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2"	"YWXYYJSYQOXTPL-UHFFFAOYSA-N"	FALSE	TRUE	2010	3	5
"16055-33-7"	"DTXSID00884867"	"Quinolinium, 1-ethyl-2-[(3-methyl-2(3H)-benzothiazolylidene)methyl]-, iodide (1:1)"	"EPA_DSSTox"	"CC[N+]1=C2C=CC=CC2=CC=C1/C=C1\SC2C=CC=CC=2N\1C"	"[I-]"	"InChI=1S/C20H19N2S/c1-3-22-16(13-12-15-8-4-5-9-17(15)22)14-20-21(2)18-10-6-7-11-19(18)23-20/h4-14H,3H2,1-2H3/q+1"	"FSOAORRRECZDNM-UHFFFAOYSA-N"	FALSE	TRUE	2240	3	5
"1606-76-4"	"DTXSID3073268"	"Thiazole, 2-nitro-"	"EPA_DSSTox"	"[O-][N+](=O)C1=NC=CS1"	"?"	"InChI=1S/C3H2N2O2S/c6-5(7)3-4-1-2-8-3/h1-2H"	"ALNUOSXDMYFQNQ-UHFFFAOYSA-N"	FALSE	FALSE	137	2	3
"16066-38-9"	"DTXSID2051762"	"Dipropyl peroxydicarbonate"	"EPA_DSSTox"	"CCCOC(=O)OOC(=O)OCCC"	"?"	"InChI=1S/C8H14O6/c1-3-5-11-7(9)13-14-8(10)12-6-4-2/h3-6H2,1-2H3"	"YPVDWEHVCUBACK-UHFFFAOYSA-N"	FALSE	TRUE	3400	3	5
"16069-36-6"	"DTXSID30884870"	"Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, eicosahydro-"	"EPA_DSSTox"	"C1COC2CCCCC2OCCOCCOC2CCCCC2OCCO1"	"?"	"InChI=1S/C20H36O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h17-20H,1-16H2"	"BBGKDYHZQOSNMU-UHFFFAOYSA-N"	FALSE	FALSE	176	2	3
"16078-71-0"	"DTXSID5073406"	"1H-Pyrazole-4-carboxylic acid, 5-amino-1-phenyl-, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)C1C=NN(C=1N)C1C=CC=CC=1"	"?"	"InChI=1S/C12H13N3O2/c1-2-17-12(16)10-8-14-15(11(10)13)9-6-4-3-5-7-9/h3-8H,2,13H2,1H3"	"AYJIUOZKKTUKKD-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"16079-88-2"	"DTXSID3032591"	"Bromo-3-chloro-5,5-dimethylhydantoin"	"EPA_DSSTox"	"CC1(C)C(=O)N(Cl)C(=O)N1Br"	"?"	"InChI=1S/C5H6BrClN2O2/c1-5(2)3(10)8(7)4(11)9(5)6/h1-2H3"	"PIEXCQIOSMOEOU-UHFFFAOYSA-N"	FALSE	FALSE	1390	3	4
"1609-06-9"	"DTXSID8073269"	"Guanidine, N'-cyano-N,N-dimethyl-"	"EPA_DSSTox"	"[H]/N=C(\NC#N)/N(C)C"	"?"	"InChI=1S/C4H8N4/c1-8(2)4(6)7-3-5/h1-2H3,(H2,6,7)"	"TUYAIZHPVZJKIN-UHFFFAOYSA-N"	FALSE	TRUE	3840	3	5
"1609-47-8"	"DTXSID2051764"	"Diethyl dicarbonate"	"EPA_DSSTox"	"CCOC(=O)OC(=O)OCC"	"?"	"InChI=1S/C6H10O5/c1-3-9-5(7)11-6(8)10-4-2/h3-4H2,1-2H3"	"FFYPMLJYZAEMQB-UHFFFAOYSA-N"	FALSE	FALSE	850	3	4
"16090-02-1"	"DTXSID0027777"	"Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-(4-morpholinyl)-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt"	"EPA_DSSTox"	"OS(=O)(=O)C1C=C(C=CC=1C=CC1=CC=C(C=C1S(O)(=O)=O)NC1N=C(N=C(NC2C=CC=CC=2)N=1)N1CCOCC1)NC1N=C(N=C(NC2C=CC=CC=2)N=1)N1CCOCC1"	"[Na+].[Na+]"	"InChI=1S/C40H40N12O8S2/c53-61(54,55)33-25-31(43-37-45-35(41-29-7-3-1-4-8-29)47-39(49-37)51-17-21-59-22-18-51)15-13-27(33)11-12-28-14-16-32(26-34(28)62(56,57)58)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52-19-23-60-24-20-52/h1-16,25-26H,17-24H2,(H,53,54,55)(H,56,57,58)(H2,41,43,45,47,49)(H2,42,44,46,48,50)"	"YGUMVDWOQQJBGA-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"1610-17-9"	"DTXSID0037493"	"Atraton"	"EPA_DSSTox"	"CCNC1N=C(N=C(NC(C)C)N=1)OC"	"?"	"InChI=1S/C9H17N5O/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)"	"PXWUKZGIHQRDHL-UHFFFAOYSA-N"	FALSE	FALSE	1465	3	4
"1610-18-0"	"DTXSID6022341"	"Prometon"	"EPA_DSSTox"	"COC1N=C(NC(C)C)N=C(NC(C)C)N=1"	"?"	"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"	FALSE	FALSE	503	3	4
"1610-29-3"	NA	NA	"Public_CrossChecked"	"CCC=C(C)CO"	"?"	"InChI=1S/C6H12O/c1-3-4-6(2)5-7/h4,7H,3,5H2,1-2H3"	"KIKXGIRAIYTCRB-UHFFFAOYSA-N"	FALSE	TRUE	4920	3	5
"161050-58-4"	"DTXSID3032628"	"Methoxyfenozide"	"EPA_DSSTox"	"COC1=CC=CC(C(=O)NN(C(=O)C2C=C(C)C=C(C)C=2)C(C)(C)C)=C1C"	"?"	"InChI=1S/C22H28N2O3/c1-14-11-15(2)13-17(12-14)21(26)24(22(4,5)6)23-20(25)18-9-8-10-19(27-7)16(18)3/h8-13H,1-7H3,(H,23,25)"	"QCAWEPFNJXQPAN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"16110-51-3"	"DTXSID4022860"	"Cromolyn"	"EPA_DSSTox"	"OC(=O)C1=CC(=O)C2C(=CC=CC=2OCC(O)COC2=CC=CC3OC(=CC(=O)C=32)C(O)=O)O1"	"?"	"InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)"	"IMZMKUWMOSJXDT-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"16118-49-3"	"DTXSID7041756"	"Carbetamide"	"EPA_DSSTox"	"CCNC(=O)C(C)OC(=O)NC1C=CC=CC=1"	"?"	"InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)"	"AMRQXHFXNZFDCH-UHFFFAOYSA-N"	FALSE	TRUE	11000	4	5
"161193-03-9"	NA	NA	"Public_CrossChecked"	"CC(=O)OC(CCSC)C(O)=O"	"?"	"InChI=1S/C7H12O4S/c1-5(8)11-6(7(9)10)3-4-12-2/h6H,3-4H2,1-2H3,(H,9,10)"	"UTGWZXSWRKCSSY-UHFFFAOYSA-N"	FALSE	TRUE	2340	3	5
"1613-17-8"	"DTXSID2049680"	"N,N-dimethyloctadecylamine hydrochloride"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCCN(C)C"	"Cl"	"InChI=1S/C20H43N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h4-20H2,1-3H3"	"NAPSCFZYZVSQHF-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"16131-53-6"	"DTXSID2066014"	"Morpholine, 4,4'-tetrathiobis-"	"EPA_DSSTox"	"C1COCCN1SSSSN1CCOCC1"	"?"	"InChI=1S/C8H16N2O2S4/c1-5-11-6-2-9(1)13-15-16-14-10-3-7-12-8-4-10/h1-8H2"	"YBYVZXAEQRHBPY-UHFFFAOYSA-N"	FALSE	TRUE	4800	3	5
"16142-27-1"	"DTXSID9049039"	"3-Morpholinosydnonimine hydrochloride"	"EPA_DSSTox"	"NC1=C[N+](=NO1)N1CCOCC1"	"[Cl-]"	"InChI=1S/C6H11N4O2/c7-6-5-10(8-12-6)9-1-3-11-4-2-9/h5H,1-4,7H2/q+1"	"XZYRDNUZENBYFI-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"16143-18-3"	"DTXSID7066015"	"Benzoxazole, 2-[4-(2-[1,1'-biphenyl]-4-ylethenyl)phenyl]-5-(1,1-dimethylethyl)-"	"EPA_DSSTox"	"CC(C)(C)C1C=C2N=C(OC2=CC=1)C1C=CC(C=CC2C=CC(=CC=2)C2C=CC=CC=2)=CC=1"	"?"	"InChI=1S/C31H27NO/c1-31(2,3)27-19-20-29-28(21-27)32-30(33-29)26-17-13-23(14-18-26)10-9-22-11-15-25(16-12-22)24-7-5-4-6-8-24/h4-21H,1-3H3"	"SZWQPAIKUHNUMM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"16146-62-6"	"DTXSID90167156"	"Carbamic acid, methyl-, 2,2-dimethyl-8-chromanyl ester"	"EPA_DSSTox"	"CC1(C)CCC2C=CC=C(OC(=O)NC)C=2O1"	"?"	"InChI=1S/C13H17NO3/c1-13(2)8-7-9-5-4-6-10(11(9)17-13)16-12(15)14-3/h4-6H,7-8H2,1-3H3,(H,14,15)"	"XAMLYVOKCFEFDG-UHFFFAOYSA-N"	TRUE	FALSE	3	1	1
"16154-78-2"	NA	NA	"Public_CrossChecked"	"CC1=CC=C2C(=C1)C1CCCC3NCCN2C=13"	"Cl"	"InChI=1S/C15H18N2/c1-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17(14)8-7-16-13/h5-6,9,13,16H,2-4,7-8H2,1H3"	"IWVRVEIKCBFZNF-UHFFFAOYSA-N"	FALSE	TRUE	2060	3	5
"161559-34-8"	"DTXSID10167193"	"1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(3-(methylphenylamino)propyl)-"	"EPA_DSSTox"	"CN(CCCN1C=NC2=C1C(=O)N(C)C(=O)N2C)C1C=CC=CC=1"	"?"	"InChI=1S/C17H21N5O2/c1-19(13-8-5-4-6-9-13)10-7-11-22-12-18-15-14(22)16(23)21(3)17(24)20(15)2/h4-6,8-9,12H,7,10-11H2,1-3H3"	"KKHFRAFPESRGGD-UHFFFAOYSA-N"	FALSE	FALSE	1639	3	4
"161599-46-8"	"DTXSID40167207"	"2',3'-Di-O-acetyl-5'-deoxy-5-fluorocytidine"	"EPA_DSSTox"	"CC1OC(C(OC(C)=O)C1OC(C)=O)N1C=C(F)C(N)=NC1=O"	"?"	"InChI=1S/C13H16FN3O6/c1-5-9(22-6(2)18)10(23-7(3)19)12(21-5)17-4-8(14)11(15)16-13(17)20/h4-5,9-10,12H,1-3H3,(H2,15,16,20)"	"NWJBWNIUGNXJGO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"161798-03-4"	"DTXSID90447849"	"Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate"	"EPA_DSSTox"	"CC1N=C(SC=1C(=O)OCC)C1C=C(C=O)C(=CC=1)OCC(C)C"	"?"	"InChI=1S/C18H21NO4S/c1-5-22-18(21)16-12(4)19-17(24-16)13-6-7-15(14(8-13)9-20)23-10-11(2)3/h6-9,11H,5,10H2,1-4H3"	"AIQMFFCWDAIGNV-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"16212-28-5"	"DTXSID9021681"	"Trichloropropenenitrile"	"EPA_DSSTox"	"N#CC(Cl)=C(Cl)Cl"	"?"	"InChI=1S/C3Cl3N/c4-2(1-7)3(5)6"	"RIMSDWNIRWMXBC-UHFFFAOYSA-N"	FALSE	FALSE	62.5	2	3
"16219-75-3"	"DTXSID1025306"	"5-Ethylidene-2-norbornene"	"EPA_DSSTox"	"CC=C1CC2CC1C=C2"	"?"	"InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3"	"OJOWICOBYCXEKR-UHFFFAOYSA-N"	FALSE	TRUE	2276	3	5
"16219-99-1"	"DTXSID4021052"	"4-Nitrosomethylaminopyridine"	"EPA_DSSTox"	"CN(N=O)C1=CC=NC=C1"	"?"	"InChI=1S/C6H7N3O/c1-9(8-10)6-2-4-7-5-3-6/h2-5H,1H3"	"CNXCLASNZDZCBC-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"1622-32-8"	"DTXSID5061825"	"2-Chloro-ethanesulfonyl chloride"	"EPA_DSSTox"	"O=S(=O)(Cl)CCCl"	"?"	"InChI=1S/C2H4Cl2O2S/c3-1-2-7(4,5)6/h1-2H2"	"VHCSBTPOPKFYIU-UHFFFAOYSA-N"	FALSE	FALSE	240	2	3
"1622-62-4"	"DTXSID7023065"	"Flunitrazepam"	"EPA_DSSTox"	"CN1C2C=CC(=CC=2C(=NCC1=O)C1=CC=CC=C1F)[N+]([O-])=O"	"?"	"InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3"	"PPTYJKAXVCCBDU-UHFFFAOYSA-N"	FALSE	FALSE	415	2	4
"16227-10-4"	"DTXSID2042484"	"Triazbutil"	"EPA_DSSTox"	"CCCCN1C=NN=C1"	"?"	"InChI=1S/C6H11N3/c1-2-3-4-9-5-7-8-6-9/h5-6H,2-4H2,1H3"	"ZOMKCDYJHAQMCU-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"16227-12-6"	"DTXSID10167350"	"1H-1,2,4-Triazole, 4-phenyl-"	"EPA_DSSTox"	"C1=NN=CN1C1C=CC=CC=1"	"?"	"InChI=1S/C8H7N3/c1-2-4-8(5-3-1)11-6-9-10-7-11/h1-7H"	"YAHHNSBXSDGEFB-UHFFFAOYSA-N"	FALSE	FALSE	134	2	3
"1623-14-9"	"DTXSID70862718"	"Ethyl dihydrogen phosphate"	"EPA_DSSTox"	"CCOP(O)(O)=O"	"?"	"InChI=1S/C2H7O4P/c1-2-6-7(3,4)5/h2H2,1H3,(H2,3,4,5)"	"ZJXZSIYSNXKHEA-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"16231-76-8"	"DTXSID90167358"	"GC 10284"	"EPA_DSSTox"	"CCOP(=S)(OCC)SCC(=O)N(CCC#N)C1C=CC=CC=1"	"?"	"InChI=1S/C15H21N2O3PS2/c1-3-19-21(22,20-4-2)23-13-15(18)17(12-8-11-16)14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,12-13H2,1-2H3"	"OXZOAUGOOWQPDM-UHFFFAOYSA-N"	TRUE	FALSE	15	1	2
"16251-77-7"	"DTXSID4047098"	"3-Phenylbutyraldehyde"	"EPA_DSSTox"	"CC(CC=O)C1C=CC=CC=1"	"?"	"InChI=1S/C10H12O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3"	"MYHGOWDLVRDUFA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"162881-26-7"	"DTXSID8044597"	"(Phenylphosphoryl)bis[(2,4,6-trimethylphenyl)methanone]"	"EPA_DSSTox"	"CC1=CC(C)=C(C(=O)P(=O)(C2C=CC=CC=2)C(=O)C2C(C)=CC(C)=CC=2C)C(C)=C1"	"?"	"InChI=1S/C26H27O3P/c1-16-12-18(3)23(19(4)13-16)25(27)30(29,22-10-8-7-9-11-22)26(28)24-20(5)14-17(2)15-21(24)6/h7-15H,1-6H3"	"GUCYFKSBFREPBC-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"16298-03-6"	"DTXSID10167496"	"Methyl 3-aminopyrazinecarboxylate"	"EPA_DSSTox"	"COC(=O)C1=NC=CN=C1N"	"?"	"InChI=1S/C6H7N3O2/c1-11-6(10)4-5(7)9-3-2-8-4/h2-3H,1H3,(H2,7,9)"	"INCSQLZZXBPATR-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"163000-63-3"	"DTXSID2045787"	"Neboglamine"	"EPA_DSSTox"	"CC1(C)CCC(CC1)NC(=O)C(N)CCC(O)=O"	"?"	"InChI=1S/C13H24N2O3/c1-13(2)7-5-9(6-8-13)15-12(18)10(14)3-4-11(16)17/h9-10H,3-8,14H2,1-2H3,(H,15,18)(H,16,17)"	"VCRGLZYPNNAVRP-UHFFFAOYSA-N"	FALSE	FALSE	1430	3	4
"1631-28-3"	"DTXSID10167512"	"Maleimide, N-p-tolyl-"	"EPA_DSSTox"	"CC1C=CC(=CC=1)N1C(=O)C=CC1=O"	"?"	"InChI=1S/C11H9NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-7H,1H3"	"KCFXNGDHQPMIAQ-UHFFFAOYSA-N"	FALSE	FALSE	710	3	4
"1631-29-4"	"DTXSID70167513"	"Maleimide, N-(p-chlorophenyl)-"	"EPA_DSSTox"	"O=C1C=CC(=O)N1C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C10H6ClNO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H"	"FPZQYYXSOJSITC-UHFFFAOYSA-N"	FALSE	FALSE	440	2	4
"1631-64-7"	"DTXSID5075105"	"1,3-Dithiolan-2-one O-[(methylamino)carbonyl]oxime"	"EPA_DSSTox"	"CNC(=O)ON=C1SCCS1"	"?"	"InChI=1S/C5H8N2O2S2/c1-6-4(8)9-7-5-10-2-3-11-5/h2-3H2,1H3,(H,6,8)"	"PTWXDEFRSGIDOE-UHFFFAOYSA-N"	TRUE	FALSE	3	1	1
"16322-14-8"	"DTXSID10167537"	"1(2H)-Quinolinecarboxylic acid, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)N1CC=CC2C=CC=CC1=2"	"?"	"InChI=1S/C12H13NO2/c1-2-15-12(14)13-9-5-7-10-6-3-4-8-11(10)13/h3-8H,2,9H2,1H3"	"GZVVNAWGGPWOOK-UHFFFAOYSA-N"	FALSE	FALSE	195	2	3
"16327-90-5"	NA	NA	"Public_CrossChecked"	"OC(=O)CCC(=O)OC1N=C(C2=CC(Cl)=CC=C2NC1=O)C1C=CC=CC=1"	"CN(C)CCO"	"InChI=1S/C19H15ClN2O5/c20-12-6-7-14-13(10-12)17(11-4-2-1-3-5-11)22-19(18(26)21-14)27-16(25)9-8-15(23)24/h1-7,10,19H,8-9H2,(H,21,26)(H,23,24)"	"UCUOKZUJHTYPJT-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"16338-97-9"	"DTXSID2020395"	"Diallylnitrosamine"	"EPA_DSSTox"	"C=CCN(CC=C)N=O"	"?"	"InChI=1S/C6H10N2O/c1-3-5-8(7-9)6-4-2/h3-4H,1-2,5-6H2"	"GRYFJBRXMFVEIL-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"16339-07-4"	"DTXSID30167574"	"N-Nitroso-N'-methylpiperazine"	"EPA_DSSTox"	"CN1CCN(CC1)N=O"	"?"	"InChI=1S/C5H11N3O/c1-7-2-4-8(6-9)5-3-7/h2-5H2,1H3"	"CEAIOKFZXJMDAS-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"16339-14-3"	"DTXSID90167575"	"Hydrazine, 1-nitroso-1,2,2-trimethyl-"	"EPA_DSSTox"	"CN(C)N(C)N=O"	"?"	"InChI=1S/C3H9N3O/c1-5(2)6(3)4-7/h1-3H3"	"RMXLHJXZHWJPQZ-UHFFFAOYSA-N"	FALSE	FALSE	95	2	3
"16339-16-5"	"DTXSID50167576"	"Ethanamine, 2-chloro-N-methyl-N-nitroso- (9CI)"	"EPA_DSSTox"	"CN(CCCl)N=O"	"?"	"InChI=1S/C3H7ClN2O/c1-6(5-7)3-2-4/h2-3H2,1H3"	"JTJQWOJKHHOSMK-UHFFFAOYSA-N"	TRUE	FALSE	22	1	2
"16339-21-2"	"DTXSID70167578"	"2-Pentanone, 4-methyl-4-(N-nitrosomethylamino)-"	"EPA_DSSTox"	"CC(=O)CC(C)(C)N(C)N=O"	"?"	"InChI=1S/C7H14N2O2/c1-6(10)5-7(2,3)9(4)8-11/h5H2,1-4H3"	"BUFWFGAUZTUMMV-UHFFFAOYSA-N"	FALSE	TRUE	2100	3	5
"1634-04-4"	"DTXSID3020833"	"Methyl tert-butyl ether"	"EPA_DSSTox"	"COC(C)(C)C"	"?"	"InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3"	"BZLVMXJERCGZMT-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"1634-78-2"	"DTXSID9020790"	"Malaoxon"	"EPA_DSSTox"	"CCOC(=O)C(CC(=O)OCC)SP(=O)(OC)OC"	"?"	"InChI=1S/C10H19O7PS/c1-5-16-9(11)7-8(10(12)17-6-2)19-18(13,14-3)15-4/h8H,5-7H2,1-4H3"	"WSORODGWGUUOBO-UHFFFAOYSA-N"	FALSE	FALSE	158	2	3
"163515-14-8"	"DTXSID2034542"	"Dimethenamid-P"	"EPA_DSSTox"	"CC1SC=C(C)C=1N(C(C)COC)C(=O)CCl"	"?"	"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"	FALSE	FALSE	371	2	4
"1637-39-4"	"DTXSID9040631"	"trans-Zeatin"	"EPA_DSSTox"	"CC(CO)=CCNC1=NC=NC2NC=NC1=2"	"?"	"InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)"	"UZKQTCBAMSWPJD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"16378-22-6"	NA	NA	"Public_CrossChecked"	"CCN1CC/C(/C1C)=C1/C2=CC=CC=C2CCC2C=CC=CC=2/1"	"Cl"	"InChI=1S/C22H25N/c1-3-23-15-14-19(16(23)2)22-20-10-6-4-8-17(20)12-13-18-9-5-7-11-21(18)22/h4-11,16H,3,12-15H2,1-2H3"	"NKJQZSDCCLDOQH-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"1639-60-7"	"DTXSID6048913"	"(2S,3R)-(+)-4-(Dimethylamino)-3-methyl-1,2-diphenyl-2-butanol propionate hydrochloride"	"EPA_DSSTox"	"CCC(=O)OC(CC1C=CC=CC=1)(C(C)CN(C)C)C1C=CC=CC=1"	"Cl"	"InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3"	"XLMALTXPSGQGBX-UHFFFAOYSA-N"	FALSE	FALSE	84	2	3
"1639-66-3"	"DTXSID7041881"	"Dioctyl sodium sulfosuccinate"	"EPA_DSSTox"	"CCCCCCCCOC(=O)C(CC(=O)OCCCCCCCC)S(O)(=O)=O"	"[Na+]"	"InChI=1S/C20H38O7S/c1-3-5-7-9-11-13-15-26-19(21)17-18(28(23,24)25)20(22)27-16-14-12-10-8-6-4-2/h18H,3-17H2,1-2H3,(H,23,24,25)"	"OXLXSOPFNVKUMU-UHFFFAOYSA-N"	FALSE	FALSE	1900	3	4
"16397-70-9"	"DTXSID80343664"	"2-Ethylhexyl 4-nitrobenzoate"	"EPA_DSSTox"	"CCCCC(COC(=O)C1=CC=C(C=C1)[N+]([O-])=O)CC"	"?"	"InChI=1S/C15H21NO4/c1-3-5-6-12(4-2)11-20-15(17)13-7-9-14(10-8-13)16(18)19/h7-10,12H,3-6,11H2,1-2H3"	"NPSJHQMIVNJLNN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"16398-39-3"	NA	NA	"Public_CrossChecked"	"CN(C)CCCN1C(=O)C2C=C(C=CC=2OC2C=CC=CC1=2)[N+]([O-])=O"	"?"	"InChI=1S/C18H19N3O4/c1-19(2)10-5-11-20-15-6-3-4-7-17(15)25-16-9-8-13(21(23)24)12-14(16)18(20)22/h3-4,6-9,12H,5,10-11H2,1-2H3"	"CGYWLLGTCBIGSR-UHFFFAOYSA-N"	FALSE	FALSE	1690	3	4
"16409-43-1"	"DTXSID1051771"	"4-Methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran"	"EPA_DSSTox"	"CC1CCOC(C1)C=C(C)C"	"?"	"InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3"	"CZCBTSFUTPZVKJ-UHFFFAOYSA-N"	FALSE	TRUE	4300	3	5
"16409-45-3"	"DTXSID20859153"	"cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate"	"EPA_DSSTox"	"CC(C)C1CCC(C)CC1OC(C)=O"	"?"	"InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3"	"XHXUANMFYXWVNG-UHFFFAOYSA-N"	FALSE	TRUE	7620	4	5
"16409-46-4"	"DTXSID00861678"	"Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester"	"EPA_DSSTox"	"CC1CC(OC(=O)CC(C)C)C(CC1)C(C)C"	"?"	"InChI=1S/C15H28O2/c1-10(2)8-15(16)17-14-9-12(5)6-7-13(14)11(3)4/h10-14H,6-9H2,1-5H3"	"VYQSSWZYPCCBRN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1641-74-3"	"DTXSID4046733"	"Nicametate citrate"	"EPA_DSSTox"	"CCN(CCOC(=O)C1C=NC=CC=1)CC"	"C(CC(=O)O)(CC(=O)O)(C(=O)O)O"	"InChI=1S/C12H18N2O2/c1-3-14(4-2)8-9-16-12(15)11-6-5-7-13-10-11/h5-7,10H,3-4,8-9H2,1-2H3"	"JVWOCHRRAWHKLT-UHFFFAOYSA-N"	FALSE	TRUE	8400	4	5
"16415-12-6"	"DTXSID9066047"	"Silane, hexadecyltrimethoxy-"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCC[Si](OC)(OC)OC"	"?"	"InChI=1S/C19H42O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20-2,21-3)22-4/h5-19H2,1-4H3"	"RSKGMYDENCAJEN-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"1642-54-2"	"DTXSID4045555"	"Diethylcarbamazine citrate"	"EPA_DSSTox"	"CN1CCN(CC1)C(=O)N(CC)CC"	"OC(=O)CC(O)(CC(O)=O)C(O)=O"	"InChI=1S/C10H21N3O/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13/h4-9H2,1-3H3"	"RCKMWOKWVGPNJF-UHFFFAOYSA-N"	FALSE	FALSE	1380	3	4
"16423-68-0"	"DTXSID7021233"	"FD&C Red 3"	"EPA_DSSTox"	"OC(=O)C1C=CC=CC=1C1C2=CC(I)=C(O)C(I)=C2OC2C=1C=C(I)C(=O)C=2I"	"[Na+].[Na+]"	"InChI=1S/C20H8I4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,25H,(H,27,28)"	"LAINPTZBIXYTIZ-UHFFFAOYSA-N"	FALSE	FALSE	1840	3	4
"1643-20-5"	"DTXSID1020514"	"N,N-Dimethyldodecylamine-N-oxide"	"EPA_DSSTox"	"CCCCCCCCCCCC[N+](C)(C)[O-]"	"?"	"InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3"	"SYELZBGXAIXKHU-UHFFFAOYSA-N"	FALSE	FALSE	1064	3	4
"1646-75-9"	"DTXSID9024431"	"Aldicarb oxime"	"EPA_DSSTox"	"CSC(C)(C)CN=O"	"?"	"InChI=1S/C5H11NOS/c1-5(2,8-3)4-6-7/h4H2,1-3H3"	"YKGXIGMQHJBDGN-UHFFFAOYSA-N"	FALSE	FALSE	742	3	4
"1646-87-3"	"DTXSID1033161"	"Aldicarb sulfoxide"	"EPA_DSSTox"	"CNC(=O)ON=CC(C)(C)S(C)=O"	"?"	"InChI=1S/C7H14N2O3S/c1-7(2,13(4)11)5-9-12-6(10)8-3/h5H,1-4H3,(H,8,10)"	"BXPMAGSOWXBZHS-UHFFFAOYSA-N"	TRUE	FALSE	0.49	1	1
"1646-88-4"	"DTXSID6023862"	"Aldoxycarb"	"EPA_DSSTox"	"CNC(=O)ON=CC(C)(C)S(C)(=O)=O"	"?"	"InChI=1S/C7H14N2O4S/c1-7(2,14(4,11)12)5-9-13-6(10)8-3/h5H,1-4H3,(H,8,10)"	"YRRKLBAKDXSTNC-UHFFFAOYSA-N"	TRUE	FALSE	20	1	2
"1647-12-7"	NA	NA	"Public_CrossChecked"	"CCOC(=O)C(C)C=C"	"?"	"InChI=1S/C7H12O2/c1-4-6(3)7(8)9-5-2/h4,6H,1,5H2,2-3H3"	"WDCCXADRWCXXOR-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"16470-24-9"	"DTXSID4027781"	"C.I. Fluorescent Brightener 220"	"EPA_DSSTox"	"OS(=O)(=O)C1C=C(C=CC=1C=CC1C=CC(=CC=1S(O)(=O)=O)NC1N=C(NC2C=CC(=CC=2)S(O)(=O)=O)N=C(N=1)N(CCO)CCO)NC1=NC(NC2C=CC(=CC=2)S(O)(=O)=O)=NC(=N1)N(CCO)CCO"	"[Na+].[Na+].[Na+].[Na+]"	"InChI=1S/C40H44N12O16S4/c53-19-15-51(16-20-54)39-47-35(41-27-7-11-31(12-8-27)69(57,58)59)45-37(49-39)43-29-5-3-25(33(23-29)71(63,64)65)1-2-26-4-6-30(24-34(26)72(66,67)68)44-38-46-36(48-40(50-38)52(17-21-55)18-22-56)42-28-9-13-32(14-10-28)70(60,61)62/h1-14,23-24,53-56H,15-22H2,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H2,41,43,45,47,49)(H2,42,44,46,48,50)"	"JTPVHPYPNZIZKG-UHFFFAOYSA-N"	FALSE	TRUE	5300	4	5
"1649-18-9"	"DTXSID2045361"	"Azaperone"	"EPA_DSSTox"	"O=C(CCCN1CCN(CC1)C1=CC=CC=N1)C1C=CC(F)=CC=1"	"?"	"InChI=1S/C19H22FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10H,3-4,11-15H2"	"XTKDAFGWCDAMPY-UHFFFAOYSA-N"	FALSE	FALSE	245	2	3
"16491-24-0"	"DTXSID4047414"	"2,4-Hexadienyl isobutyrate"	"EPA_DSSTox"	"CC=CC=CCOC(=O)C(C)C"	"?"	"InChI=1S/C10H16O2/c1-4-5-6-7-8-12-10(11)9(2)3/h4-7,9H,8H2,1-3H3"	"CVYBRMSQMLJGOI-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"16499-75-5"	"DTXSID90167833"	"Phosphorothioic acid, O,O-diethyl S-(3,4,4-trifluoro-3-butenyl) ester"	"EPA_DSSTox"	"CCOP(=O)(OCC)SCCC(F)=C(F)F"	"?"	"InChI=1S/C8H14F3O3PS/c1-3-13-15(12,14-4-2)16-6-5-7(9)8(10)11/h3-6H2,1-2H3"	"NGRGWVSHDRFOEW-UHFFFAOYSA-N"	FALSE	FALSE	68	2	3
"16500-53-1"	NA	NA	"Public_CrossChecked"	"CCOP(=S)(OCC)SCCC(F)=C(F)F"	"?"	"InChI=1S/C8H14F3O2PS2/c1-3-12-14(15,13-4-2)16-6-5-7(9)8(10)11/h3-6H2,1-2H3"	"VAUITHCZHJRWOA-UHFFFAOYSA-N"	FALSE	FALSE	681	3	4
"165252-70-0"	"DTXSID7034549"	"Dinotefuran"	"EPA_DSSTox"	"CN/C(/NCC1COCC1)=N/[N+]([O-])=O"	"?"	"InChI=1S/C7H14N4O3/c1-8-7(10-11(12)13)9-4-6-2-3-14-5-6/h6H,2-5H2,1H3,(H2,8,9,10)"	"YKBZOVFACRVRJN-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"16529-56-9"	"DTXSID5025578"	"2-Methyl-3-butenenitrile"	"EPA_DSSTox"	"CC(C=C)C#N"	"?"	"InChI=1S/C5H7N/c1-3-5(2)4-6/h3,5H,1H2,2H3"	"WBAXCOMEMKANRN-UHFFFAOYSA-N"	FALSE	FALSE	232	2	3
"16537-52-3"	NA	NA	"Public_CrossChecked"	"CCP(=S)(OCC(C)C)SCN1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C15H20NO3PS2/c1-4-20(21,19-9-11(2)3)22-10-16-14(17)12-7-5-6-8-13(12)15(16)18/h5-8,11H,4,9-10H2,1-3H3"	"CDSZITPHFYDYIK-UHFFFAOYSA-N"	FALSE	FALSE	75	2	3
"1656-48-0"	"DTXSID5044154"	"3,3'-Oxydipropionitrile"	"EPA_DSSTox"	"N#CCCOCCC#N"	"?"	"InChI=1S/C6H8N2O/c7-3-1-5-9-6-2-4-8/h1-2,5-6H2"	"BCGCCTGNWPKXJL-UHFFFAOYSA-N"	FALSE	TRUE	2830	3	5
"16568-02-8"	"DTXSID0039225"	"Acetaldehyde methylformylhydrazone"	"EPA_DSSTox"	"CC=NN(C)C=O"	"?"	"InChI=1S/C4H8N2O/c1-3-5-6(2)4-7/h3-4H,1-2H3"	"IMAGWKUTFZRWSB-UHFFFAOYSA-N"	FALSE	FALSE	320	2	4
"16568-66-4"	"DTXSID20168010"	"1-Piperidinecarboxamide, 4-phenyl-"	"EPA_DSSTox"	"NC(=O)N1CCC(CC1)C1C=CC=CC=1"	"?"	"InChI=1S/C12H16N2O/c13-12(15)14-8-6-11(7-9-14)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,13,15)"	"FZOKXDNYTHYNPE-UHFFFAOYSA-N"	FALSE	FALSE	790	3	4
"16587-71-6"	"DTXSID4047127"	"4-(tert-Pentyl)-cyclohexanone"	"EPA_DSSTox"	"CCC(C)(C)C1CCC(=O)CC1"	"?"	"InChI=1S/C11H20O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h9H,4-8H2,1-3H3"	"DCSKAMGZSIRJAQ-UHFFFAOYSA-N"	FALSE	TRUE	4700	3	5
"16588-02-6"	NA	NA	"Public_CrossChecked"	"N#CC1=CC(=CC=C1Cl)[N+]([O-])=O"	"?"	"InChI=1S/C7H3ClN2O2/c8-7-2-1-6(10(11)12)3-5(7)4-9/h1-3H"	"ZGILLTVEEBNDOB-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"16588-06-0"	"DTXSID0066086"	"Benzamide, 4-chloro-3-nitro-"	"EPA_DSSTox"	"NC(=O)C1C=C(C(Cl)=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C7H5ClN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)"	"CGXRJCDXGJRBHV-UHFFFAOYSA-N"	FALSE	TRUE	2570	3	5
"16589-20-1"	NA	NA	"Public_CrossChecked"	"NC1=CC(=CC2C=C(C(N=NC3C=CC(=CC=3)N=NC3C(=CC4C=C(C=C(O)C=4C=3O)S(O)(=O)=O)S(O)(=O)=O)=C(O)C=21)S(O)(=O)=O)S(O)(=O)=O"	"[Na+].[Na+].[Na+]"	"InChI=1S/C26H19N5O15S4/c27-17-9-15(47(35,36)37)5-11-7-19(49(41,42)43)23(25(33)21(11)17)30-28-13-1-3-14(4-2-13)29-31-24-20(50(44,45)46)8-12-6-16(48(38,39)40)10-18(32)22(12)26(24)34/h1-10,32-34H,27H2,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)"	"RGDISAMCGSLWMJ-UHFFFAOYSA-N"	FALSE	TRUE	12000	4	5
"16590-41-3"	"DTXSID4046313"	"Naltrexone"	"EPA_DSSTox"	"OC12CCC(=O)C3OC4C5=C(CC1N(CC1CC1)CCC253)C=CC=4O"	"?"	"InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2"	"DQCKKXVULJGBQN-UHFFFAOYSA-N"	FALSE	FALSE	1450	3	4
"16607-80-0"	"DTXSID40168072"	"Cyclohexanemethanamine, N,N-dimethyl- (9CI)"	"EPA_DSSTox"	"CN(C)CC1CCCCC1"	"?"	"InChI=1S/C9H19N/c1-10(2)8-9-6-4-3-5-7-9/h9H,3-8H2,1-2H3"	"MNKFLCYZIHOFRQ-UHFFFAOYSA-N"	FALSE	FALSE	1230	3	4
"1663-35-0"	"DTXSID30168086"	"1-Methoxy-2-vinyloxyethane"	"EPA_DSSTox"	"COCCOC=C"	"?"	"InChI=1S/C5H10O2/c1-3-7-5-4-6-2/h3H,1,4-5H2,2H3"	"GXZPMXGRNUXGHN-UHFFFAOYSA-N"	FALSE	TRUE	3900	3	5
"1663-39-4"	"DTXSID8029652"	"tert-Butyl acrylate"	"EPA_DSSTox"	"CC(C)(C)OC(=O)C=C"	"?"	"InChI=1S/C7H12O2/c1-5-6(8)9-7(2,3)4/h5H,1H2,2-4H3"	"ISXSCDLOGDJUNJ-UHFFFAOYSA-N"	FALSE	FALSE	1047	3	4
"16637-86-8"	"DTXSID60168094"	"Carbamic acid, methyl-, o-(3-(methylthio)propyl)phenyl ester"	"EPA_DSSTox"	"CNC(=O)OC1C=CC=CC=1CCCSC"	"?"	"InChI=1S/C12H17NO2S/c1-13-12(14)15-11-8-4-3-6-10(11)7-5-9-16-2/h3-4,6,8H,5,7,9H2,1-2H3,(H,13,14)"	"NBUCQPQCJZGMQW-UHFFFAOYSA-N"	FALSE	FALSE	220	2	3
"166412-78-8"	NA	NA	"Public_CrossChecked"	"CC(C)CCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCC(C)C"	"?"	"InChI=1S/C26H48O4/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/h21-24H,5-20H2,1-4H3"	"HORIEOQXBKUKGQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1665-48-1"	"DTXSID3023269"	"Metaxalone"	"EPA_DSSTox"	"CC1=CC(=CC(C)=C1)OCC1CNC(=O)O1"	"?"	"InChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)"	"IMWZZHHPURKASS-UHFFFAOYSA-N"	FALSE	FALSE	775	3	4
"16652-76-9"	NA	NA	"Public_CrossChecked"	"CC(C)C(N)C(=O)OCC1=CC=CC=C1"	"?"	"InChI=1S/C12H17NO2/c1-9(2)11(13)12(14)15-8-10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3"	"YIRBOOICRQFSOK-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"16655-82-6"	"DTXSID2037506"	"3-Hydroxycarbofuran"	"EPA_DSSTox"	"CC1(C)OC2C(=CC=CC=2C1O)OC(=O)NC"	"?"	"InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)"	"RHSUJRQZTQNSLL-UHFFFAOYSA-N"	TRUE	FALSE	18	1	2
"16671-87-7"	"DTXSID50168164"	"Benzoic acid, m-thiocyano-"	"EPA_DSSTox"	"N#CSC1=CC(=CC=C1)C(O)=O"	"?"	"InChI=1S/C8H5NO2S/c9-5-12-7-3-1-2-6(4-7)8(10)11/h1-4H,(H,10,11)"	"LUCYABSAYIDKJV-UHFFFAOYSA-N"	FALSE	FALSE	73	2	3
"16671-88-8"	"DTXSID10168165"	"Benzoic acid, p-thiocyano-"	"EPA_DSSTox"	"N#CSC1C=CC(=CC=1)C(O)=O"	"?"	"InChI=1S/C8H5NO2S/c9-5-12-7-3-1-6(2-4-7)8(10)11/h1-4H,(H,10,11)"	"ZXHCITRMALCKPV-UHFFFAOYSA-N"	FALSE	FALSE	83	2	3
"16672-39-2"	"DTXSID4066096"	"Bis(2-(2-butoxyethoxy)ethyl) phthalate"	"EPA_DSSTox"	"CCCCOCCOCCOC(=O)C1C=CC=CC=1C(=O)OCCOCCOCCCC"	"?"	"InChI=1S/C24H38O8/c1-3-5-11-27-13-15-29-17-19-31-23(25)21-9-7-8-10-22(21)24(26)32-20-18-30-16-14-28-12-6-4-2/h7-10H,3-6,11-20H2,1-2H3"	"GOBKHNHHHSPHEX-UHFFFAOYSA-N"	FALSE	TRUE	9700	4	5
"16672-87-0"	"DTXSID7024085"	"Ethephon"	"EPA_DSSTox"	"OP(O)(=O)CCCl"	"?"	"InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)"	"UDPGUMQDCGORJQ-UHFFFAOYSA-N"	FALSE	TRUE	3400	3	5
"1668-19-5"	"DTXSID7022966"	"Doxepin"	"EPA_DSSTox"	"CN(C)CCC=C1C2C=CC=CC=2COC2C=CC=CC=21"	"?"	"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"	"ODQWQRRAPPTVAG-UHFFFAOYSA-N"	FALSE	FALSE	147	2	3
"1668-99-1"	NA	NA	"Public_CrossChecked"	"COC1C=CC2=NC=CC(C(O)C3CC4CCN3CC4C=C)=C2C=1"	"Cl"	"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3"	"LOUPRKONTZGTKE-UHFFFAOYSA-N"	FALSE	FALSE	263	2	3
"167004-78-6"	"DTXSID60889055"	"Phosphinic acid, P-[3-(acetyloxy)-3-cyanopropyl]-P-methyl-, butyl ester"	"EPA_DSSTox"	"CCCCOP(C)(=O)CCC(C#N)OC(C)=O"	"?"	"InChI=1S/C11H20NO4P/c1-4-5-7-15-17(3,14)8-6-11(9-12)16-10(2)13/h11H,4-8H2,1-3H3"	"FVJMPOQOCYFLLM-UHFFFAOYSA-N"	FALSE	FALSE	253	2	3
"16709-30-1"	"DTXSID10168226"	"3-Ketocarbofuran"	"EPA_DSSTox"	"CC1(C)OC2C(=CC=CC=2C1=O)OC(=O)NC"	"?"	"InChI=1S/C12H13NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6H,1-3H3,(H,13,15)"	"WXNZYYXXILQTKX-UHFFFAOYSA-N"	FALSE	FALSE	295	2	3
"1671-49-4"	"DTXSID30350742"	"4-Methylsulfonyl-2-nitrotoluene"	"EPA_DSSTox"	"CC1=CC=C(C=C1[N+]([O-])=O)S(C)(=O)=O"	"?"	"InChI=1S/C8H9NO4S/c1-6-3-4-7(14(2,12)13)5-8(6)9(10)11/h3-5H,1-2H3"	"OXBDLEXAVKAJFD-UHFFFAOYSA-N"	FALSE	FALSE	933	3	4
"16715-77-8"	"DTXSID00168235"	"1-Naphthoic acid, 2,3-dihydroxy-"	"EPA_DSSTox"	"OC1=CC2C=CC=CC=2C(C(O)=O)=C1O"	"?"	"InChI=1S/C11H8O4/c12-8-5-6-3-1-2-4-7(6)9(10(8)13)11(14)15/h1-5,12-13H,(H,14,15)"	"WZPLEIAOQJXZJX-UHFFFAOYSA-N"	FALSE	TRUE	24500	4	5
"1674-62-0"	NA	NA	"Public_CrossChecked"	"CN/C(/N)=N/C(N)=N"	"[Cl-]"	"InChI=1S/C3H9N5/c1-7-3(6)8-2(4)5/h1H3,(H6,4,5,6,7,8)"	"JLPWQEHTPOFCPG-UHFFFAOYSA-N"	FALSE	FALSE	1754	3	4
"16777-42-7"	"DTXSID0048632"	"l-Oxyfedrine hydrochloride"	"EPA_DSSTox"	"CC(NCCC(=O)C1=CC(=CC=C1)OC)C(O)C1C=CC=CC=1"	"Cl"	"InChI=1S/C19H23NO3/c1-14(19(22)15-7-4-3-5-8-15)20-12-11-18(21)16-9-6-10-17(13-16)23-2/h3-10,13-14,19-20,22H,11-12H2,1-2H3"	"GDYUVHBMFVMBAF-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"1680-21-3"	"DTXSID0051780"	"Triethylene glycol diacrylate"	"EPA_DSSTox"	"C=CC(=O)OCCOCCOCCOC(=O)C=C"	"?"	"InChI=1S/C12H18O6/c1-3-11(13)17-9-7-15-5-6-16-8-10-18-12(14)4-2/h3-4H,1-2,5-10H2"	"INQDDHNZXOAFFD-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"16801-19-7"	NA	NA	"Public_CrossChecked"	"C=COCCOCC1CO1"	"?"	"InChI=1S/C7H12O3/c1-2-8-3-4-9-5-7-6-10-7/h2,7H,1,3-6H2"	"ZOJIBRUWYLWNRB-UHFFFAOYSA-N"	FALSE	TRUE	2440	3	5
"168152-66-7"	"DTXSID90168502"	"(1,2,4)Triazolo(1,5-a)pyrimidin-5(1H)-one, 7-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"CCCC1=C(CC2C=CC(=CC=2)C2C=CC=CC=2C2=NNN=N2)C(=O)N=C2N=CNN12"	"?"	"InChI=1S/C22H20N8O/c1-2-5-19-18(21(31)25-22-23-13-24-30(19)22)12-14-8-10-15(11-9-14)16-6-3-4-7-17(16)20-26-28-29-27-20/h3-4,6-11,13H,2,5,12H2,1H3,(H,23,24,25,31)(H,26,27,28,29)"	"YACXFPISVIJJGE-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"168152-67-8"	"DTXSID50168503"	"(1,2,4)Triazolo(1,5-a)pyrimidine-5(1H)-thione, 7-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"CCCC1=C(CC2C=CC(=CC=2)C2C=CC=CC=2C2=NNN=N2)C(=S)N=C2N=CNN12"	"?"	"InChI=1S/C22H20N8S/c1-2-5-19-18(21(31)25-22-23-13-24-30(19)22)12-14-8-10-15(11-9-14)16-6-3-4-7-17(16)20-26-28-29-27-20/h3-4,6-11,13H,2,5,12H2,1H3,(H,23,24,25,31)(H,26,27,28,29)"	"ZNUDJQJCWXYTPJ-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"168152-68-9"	"DTXSID10168504"	"(1,2,4)Triazolo(1,5-a)pyrimidine, 5,7-dimethyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"CC1=NC2=NC=NN2C(C)=C1CC1C=CC(=CC=1)C1C=CC=CC=1C1N=NNN=1"	"?"	"InChI=1S/C21H18N8/c1-13-19(14(2)29-21(24-13)22-12-23-29)11-15-7-9-16(10-8-15)17-5-3-4-6-18(17)20-25-27-28-26-20/h3-10,12H,11H2,1-2H3,(H,25,26,27,28)"	"YYMQTHMUNAMZFE-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"168152-71-4"	"DTXSID30168506"	"(1,2,4)Triazolo(1,5-a)pyrimidine, 5-azido-7-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"CCCC1=C(CC2C=CC(=CC=2)C2C=CC=CC=2C2NN=NN=2)C(N=[N+]=N)=NC2=NC=NN12"	"?"	"InChI=1S/C22H20N11/c1-2-5-19-18(20(27-30-23)26-22-24-13-25-33(19)22)12-14-8-10-15(11-9-14)16-6-3-4-7-17(16)21-28-31-32-29-21/h3-4,6-11,13,23H,2,5,12H2,1H3,(H,28,29,31,32)/q+1"	"OWMUTGSNBOCLFF-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"168152-72-5"	"DTXSID90168507"	"(1,2,4)Triazolo(4,3-a)pyrimidine-3,7-dione, 1,2-dihydro-5-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"CCCC1=C(CC2C=CC(=CC=2)C2C=CC=CC=2C2N=NNN=2)C(=O)N=C2NNC(=O)N21"	"?"	"InChI=1S/C22H20N8O2/c1-2-5-18-17(20(31)23-21-26-27-22(32)30(18)21)12-13-8-10-14(11-9-13)15-6-3-4-7-16(15)19-24-28-29-25-19/h3-4,6-11H,2,5,12H2,1H3,(H,27,32)(H,23,26,31)(H,24,25,28,29)"	"MGXXDVIOKXBGHT-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"168152-73-6"	"DTXSID50168508"	"(1,2,4)Triazolo(1,5-a)pyrimidin-5(1H)-one, 2-methyl-7-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"CC1NN2C(N=1)=NC(=O)C(CC1C=CC(=CC=1)C1C=CC=CC=1C1=NNN=N1)=C2CCC"	"?"	"InChI=1S/C23H22N8O/c1-3-6-20-19(22(32)25-23-24-14(2)28-31(20)23)13-15-9-11-16(12-10-15)17-7-4-5-8-18(17)21-26-29-30-27-21/h4-5,7-12H,3,6,13H2,1-2H3,(H,24,25,28,32)(H,26,27,29,30)"	"NCCKPPZZRARSHM-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"168152-75-8"	"DTXSID20168510"	"(1,2,4)Triazolo(1,5-a)pyrimidin-5(1H)-one, 7-butyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"CCCCC1=C(CC2C=CC(=CC=2)C2C=CC=CC=2C2=NNN=N2)C(=O)N=C2N=CNN12"	"?"	"InChI=1S/C23H22N8O/c1-2-3-8-20-19(22(32)26-23-24-14-25-31(20)23)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)21-27-29-30-28-21/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,24,25,26,32)(H,27,28,29,30)"	"VPDYFKUXUUPPMD-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"168152-76-9"	"DTXSID80168511"	"(1,2,4)Triazolo(1,5-a)pyrimidin-5(1H)-one, 2-amino-7-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"CCCC1=C(CC2C=CC(=CC=2)C2C=CC=CC=2C2N=NNN=2)C(=O)N=C2N=C(N)NN21"	"?"	"InChI=1S/C22H21N9O/c1-2-5-18-17(20(32)24-22-25-21(23)28-31(18)22)12-13-8-10-14(11-9-13)15-6-3-4-7-16(15)19-26-29-30-27-19/h3-4,6-11H,2,5,12H2,1H3,(H,26,27,29,30)(H3,23,24,25,28,32)"	"FPYYWHOTLSLBSR-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"168152-77-0"	"DTXSID40168512"	"(1,2,4)Triazolo(1,5-a)pyrimidin-5-amine, N,N-diethyl-7-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"CCCC1=C(CC2C=CC(=CC=2)C2C=CC=CC=2C2N=NNN=2)C(=NC2=NC=NN12)N(CC)CC"	"?"	"InChI=1S/C26H29N9/c1-4-9-23-22(25(34(5-2)6-3)29-26-27-17-28-35(23)26)16-18-12-14-19(15-13-18)20-10-7-8-11-21(20)24-30-32-33-31-24/h7-8,10-15,17H,4-6,9,16H2,1-3H3,(H,30,31,32,33)"	"UXADQUSSFZJMQZ-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"168152-79-2"	"DTXSID60168514"	"(1,2,4)Triazolo(1,5-a)pyrimidin-5(1H)-one, 2-(methylthio)-7-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"CCCC1=C(CC2C=CC(=CC=2)C2C=CC=CC=2C2N=NNN=2)C(=O)N=C2N=C(NN12)SC"	"?"	"InChI=1S/C23H22N8OS/c1-3-6-19-18(21(32)24-22-25-23(33-2)28-31(19)22)13-14-9-11-15(12-10-14)16-7-4-5-8-17(16)20-26-29-30-27-20/h4-5,7-12H,3,6,13H2,1-2H3,(H,24,25,28,32)(H,26,27,29,30)"	"KRANGOAYFRQERZ-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"168152-80-5"	"DTXSID20168515"	"(1,2,4)Triazolo(1,5-a)pyrimidin-5(1H)-one, 7-propyl-6-((4-(3-(1H-tetrazol-5-yl)-2-thienyl)phenyl)methyl)-"	"EPA_DSSTox"	"CCCC1=C(CC2C=CC(=CC=2)C2SC=CC=2C2=NNN=N2)C(=O)N=C2N=CNN12"	"?"	"InChI=1S/C20H18N8OS/c1-2-3-16-15(19(29)23-20-21-11-22-28(16)20)10-12-4-6-13(7-5-12)17-14(8-9-30-17)18-24-26-27-25-18/h4-9,11H,2-3,10H2,1H3,(H,21,22,23,29)(H,24,25,26,27)"	"BTQWTLHWMRGPRY-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"168152-81-6"	"DTXSID80168516"	"(1,2,4)Triazolo(1,5-a)pyrimidin-5(1H)-one, 7-propyl-6-((4-(3-(1H-tetrazol-5-yl)-2-pyridinyl)phenyl)methyl)-"	"EPA_DSSTox"	"CCCC1=C(CC2C=CC(=CC=2)C2=NC=CC=C2C2=NNN=N2)C(=O)N=C2N=CNN12"	"?"	"InChI=1S/C21H19N9O/c1-2-4-17-16(20(31)25-21-23-12-24-30(17)21)11-13-6-8-14(9-7-13)18-15(5-3-10-22-18)19-26-28-29-27-19/h3,5-10,12H,2,4,11H2,1H3,(H,23,24,25,31)(H,26,27,28,29)"	"NZPNRSMNEHXBCZ-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"168152-83-8"	"DTXSID00168518"	"(1,2,4)Triazolo(1,5-a)pyrimidin-5(1H)-one, 7-butyl-2-methyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"CC1NN2C(N=1)=NC(=O)C(CC1C=CC(=CC=1)C1C=CC=CC=1C1=NNN=N1)=C2CCCC"	"?"	"InChI=1S/C24H24N8O/c1-3-4-9-21-20(23(33)26-24-25-15(2)29-32(21)24)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)22-27-30-31-28-22/h5-8,10-13H,3-4,9,14H2,1-2H3,(H,25,26,29,33)(H,27,28,30,31)"	"RNCQLNRHFQXNSH-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"168152-84-9"	"DTXSID60168519"	"(1,2,4)Triazolo(1,5-a)pyrimidin-5(1H)-one, 2-(hydroxymethyl)-7-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"CCCC1=C(CC2C=CC(=CC=2)C2C=CC=CC=2C2N=NNN=2)C(=O)N=C2N=C(CO)NN12"	"?"	"InChI=1S/C23H22N8O2/c1-2-5-19-18(22(33)25-23-24-20(13-32)28-31(19)23)12-14-8-10-15(11-9-14)16-6-3-4-7-17(16)21-26-29-30-27-21/h3-4,6-11,32H,2,5,12-13H2,1H3,(H,24,25,28,33)(H,26,27,29,30)"	"JAORJSKECDGATP-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"168152-85-0"	"DTXSID70168520"	"(1,2,4)Triazolo(1,5-a)pyrimidin-5(1H)-one, 7-(methoxymethyl)-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"COCC1=C(CC2C=CC(=CC=2)C2C=CC=CC=2C2=NNN=N2)C(=O)N=C2N=CNN12"	"?"	"InChI=1S/C21H18N8O2/c1-31-11-18-17(20(30)24-21-22-12-23-29(18)21)10-13-6-8-14(9-7-13)15-4-2-3-5-16(15)19-25-27-28-26-19/h2-9,12H,10-11H2,1H3,(H,22,23,24,30)(H,25,26,27,28)"	"QBARSNQPRQXTGO-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"168152-87-2"	"DTXSID90168522"	"(1,2,4)Triazolo(1,5-a)pyrimidin-5(1H)-one, 7-methyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"CC1=C(CC2C=CC(=CC=2)C2C=CC=CC=2C2=NNN=N2)C(=O)N=C2N=CNN21"	"?"	"InChI=1S/C20H16N8O/c1-12-17(19(29)23-20-21-11-22-28(12)20)10-13-6-8-14(9-7-13)15-4-2-3-5-16(15)18-24-26-27-25-18/h2-9,11H,10H2,1H3,(H,21,22,23,29)(H,24,25,26,27)"	"GSPDJXQIQJNQFN-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"168152-88-3"	"DTXSID50168523"	"(1,2,4)Triazolo(1,5-a)pyrimidin-5(1H)-one, 7-ethyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"CCC1=C(CC2C=CC(=CC=2)C2C=CC=CC=2C2=NNN=N2)C(=O)N=C2N=CNN12"	"?"	"InChI=1S/C21H18N8O/c1-2-18-17(20(30)24-21-22-12-23-29(18)21)11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)19-25-27-28-26-19/h3-10,12H,2,11H2,1H3,(H,22,23,24,30)(H,25,26,27,28)"	"BUXFFAWOZAKDFS-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"168152-89-4"	"DTXSID10168524"	"(1,2,4)Triazolo(1,5-a)pyrimidin-5(1H)-one, 2-(diethylamino)-7-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"CCCC1=C(CC2C=CC(=CC=2)C2C=CC=CC=2C2=NNN=N2)C(=O)N=C2N=C(NN12)N(CC)CC"	"?"	"InChI=1S/C26H29N9O/c1-4-9-22-21(24(36)27-25-28-26(31-35(22)25)34(5-2)6-3)16-17-12-14-18(15-13-17)19-10-7-8-11-20(19)23-29-32-33-30-23/h7-8,10-15H,4-6,9,16H2,1-3H3,(H,27,28,31,36)(H,29,30,32,33)"	"STOJFZHKRSTBNE-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"168152-91-8"	"DTXSID30168526"	"(1,2,4)Triazolo(1,5-a)pyrimidine, 5,7-dipropyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"CCCC1=NC2=NC=NN2C(CCC)=C1CC1C=CC(=CC=1)C1C=CC=CC=1C1N=NNN=1"	"?"	"InChI=1S/C25H26N8/c1-3-7-22-21(23(8-4-2)33-25(28-22)26-16-27-33)15-17-11-13-18(14-12-17)19-9-5-6-10-20(19)24-29-31-32-30-24/h5-6,9-14,16H,3-4,7-8,15H2,1-2H3,(H,29,30,31,32)"	"JXCAYAREKJXQKK-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"168152-92-9"	"DTXSID90168527"	"(1,2,4)Triazolo(1,5-a)pyrimidine, 7-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"CCCC1=C(CC2C=CC(=CC=2)C2C=CC=CC=2C2N=NNN=2)C=NC2=NC=NN12"	"?"	"InChI=1S/C22H20N8/c1-2-5-20-17(13-23-22-24-14-25-30(20)22)12-15-8-10-16(11-9-15)18-6-3-4-7-19(18)21-26-28-29-27-21/h3-4,6-11,13-14H,2,5,12H2,1H3,(H,26,27,28,29)"	"QIYANAFDPZHKKM-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"168152-93-0"	"DTXSID50168528"	"(1,2,4)Triazolo(1,5-a)pyrimidin-5(1H)-one, 7-((phenylmethoxy)methyl)-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"O=C1N=C2N=CNN2C(COCC2C=CC=CC=2)=C1CC1C=CC(=CC=1)C1C=CC=CC=1C1=NNN=N1"	"?"	"InChI=1S/C27H22N8O2/c36-26-23(24(35-27(30-26)28-17-29-35)16-37-15-19-6-2-1-3-7-19)14-18-10-12-20(13-11-18)21-8-4-5-9-22(21)25-31-33-34-32-25/h1-13,17H,14-16H2,(H,28,29,30,36)(H,31,32,33,34)"	"YJLJGOGRDUCEET-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"168152-95-2"	"DTXSID20168530"	"(1,2,4)Triazolo(1,5-a)pyrimidine, 5-(2-methoxyethoxy)-7-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"COCCOC1=NC2=NC=NN2C(CCC)=C1CC1C=CC(=CC=1)C1C=CC=CC=1C1=NNN=N1"	"?"	"InChI=1S/C25H26N8O2/c1-3-6-22-21(24(35-14-13-34-2)28-25-26-16-27-33(22)25)15-17-9-11-18(12-10-17)19-7-4-5-8-20(19)23-29-31-32-30-23/h4-5,7-12,16H,3,6,13-15H2,1-2H3,(H,29,30,31,32)"	"NUGWWMFQRUMDOI-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"168152-96-3"	"DTXSID80168531"	"(1,1'-Biphenyl)-2-carboxamide, 4'-((1,7-dihydro-7-oxo-5-propyl-1,2,4-triazolo(4,3-a)pyrimidin-6-yl)methyl)-"	"EPA_DSSTox"	"CCCC1=C(CC2C=CC(=CC=2)C2C=CC=CC=2C(N)=O)C(=O)N=C2NN=CN21"	"?"	"InChI=1S/C22H21N5O2/c1-2-5-19-18(21(29)25-22-26-24-13-27(19)22)12-14-8-10-15(11-9-14)16-6-3-4-7-17(16)20(23)28/h3-4,6-11,13H,2,5,12H2,1H3,(H2,23,28)(H,25,26,29)"	"WNFVZZVKAUYMFL-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"168153-00-2"	"DTXSID40168532"	"(1,2,4)Triazolo(1,5-a)pyrimidin-5(1H)-one, 7-(hydroxymethyl)-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"OCC1=C(CC2C=CC(=CC=2)C2C=CC=CC=2C2=NNN=N2)C(=O)N=C2N=CNN12"	"?"	"InChI=1S/C20H16N8O2/c29-10-17-16(19(30)23-20-21-11-22-28(17)20)9-12-5-7-13(8-6-12)14-3-1-2-4-15(14)18-24-26-27-25-18/h1-8,11,29H,9-10H2,(H,21,22,23,30)(H,24,25,26,27)"	"RDDHQCVFOXNLEM-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"1682-39-9"	"DTXSID60168534"	"Benzoxazole, 2-amino-5-fluoro-"	"EPA_DSSTox"	"NC1=NC2=CC(F)=CC=C2O1"	"?"	"InChI=1S/C7H5FN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)"	"PFPSBRGOJCFWKD-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"16846-24-5"	"DTXSID8023183"	"Josamycin"	"EPA_DSSTox"	"CC(=O)OC1CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C(OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC(C)C)C(C)O3)C(C2O)N(C)C)C1OC"	"?"	"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"	"XJSFLOJWULLJQS-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"16870-37-4"	"DTXSID8048577"	"Amogastrin"	"EPA_DSSTox"	"CCC(C)(C)OC(=O)NC(CC1=CNC2C=CC=CC1=2)C(=O)NC(CCSC)C(=O)NC(CC(O)=O)C(=O)NC(CC1C=CC=CC=1)C(N)=O"	"?"	"InChI=1S/C35H46N6O8S/c1-5-35(2,3)49-34(48)41-27(18-22-20-37-24-14-10-9-13-23(22)24)32(46)38-25(15-16-50-4)31(45)40-28(19-29(42)43)33(47)39-26(30(36)44)17-21-11-7-6-8-12-21/h6-14,20,25-28,37H,5,15-19H2,1-4H3,(H2,36,44)(H,38,46)(H,39,47)(H,40,45)(H,41,48)(H,42,43)"	"CAVZBWFUMSXZFB-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1688-71-7"	"DTXSID4061884"	"1-Butanone, 1-(4-aminophenyl)-"	"EPA_DSSTox"	"CCCC(=O)C1C=CC(N)=CC=1"	"?"	"InChI=1S/C10H13NO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3,11H2,1H3"	"CYCSOZSEBPZGPC-UHFFFAOYSA-N"	FALSE	FALSE	84	2	3
"1689-83-4"	"DTXSID8022161"	"Ioxynil"	"EPA_DSSTox"	"N#CC1=CC(I)=C(O)C(I)=C1"	"?"	"InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H"	"NRXQIUSYPAHGNM-UHFFFAOYSA-N"	FALSE	FALSE	110	2	3
"1689-84-5"	"DTXSID3022162"	"Bromoxynil"	"EPA_DSSTox"	"N#CC1=CC(Br)=C(O)C(Br)=C1"	"?"	"InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H"	"UPMXNNIRAGDFEH-UHFFFAOYSA-N"	FALSE	FALSE	190	2	3
"1689-99-2"	"DTXSID7023932"	"Bromoxynil octanoate"	"EPA_DSSTox"	"CCCCCCCC(=O)OC1C(Br)=CC(=CC=1Br)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"	FALSE	FALSE	238	2	3
"16930-93-1"	"DTXSID3066134"	"2,4-Hexadienyl butyrate"	"EPA_DSSTox"	"CC=CC=CCOC(=O)CCC"	"?"	"InChI=1S/C10H16O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3,5-7H,4,8-9H2,1-2H3"	"PTJGYWXDEDRLPB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1695-77-8"	"DTXSID9023592"	"Spectinomycin"	"EPA_DSSTox"	"CC1CC(=O)C2(O)OC3C(OC2O1)C(O)C(NC)C(O)C3NC"	"?"	"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"	FALSE	TRUE	NA	4	5
"16958-92-2"	"DTXSID9027786"	"Hexanedioic acid, ditridecyl ester"	"EPA_DSSTox"	"CCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCC"	"?"	"InChI=1S/C32H62O4/c1-3-5-7-9-11-13-15-17-19-21-25-29-35-31(33)27-23-24-28-32(34)36-30-26-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3"	"LZJUZSYHFSVIGJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1696-17-9"	"DTXSID0051784"	"N,N-Diethylbenzamide"	"EPA_DSSTox"	"CCN(CC)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C11H15NO/c1-3-12(4-2)11(13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3"	"JLNGEXDJAQASHD-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"1696-20-4"	"DTXSID9061889"	"Morpholine, 4-acetyl-"	"EPA_DSSTox"	"CC(=O)N1CCOCC1"	"?"	"InChI=1S/C6H11NO2/c1-6(8)7-2-4-9-5-3-7/h2-5H2,1H3"	"KYWXRBNOYGGPIZ-UHFFFAOYSA-N"	FALSE	TRUE	6130	4	5
"16960-40-0"	NA	NA	"Public_CrossChecked"	"CNC(=O)ON=C(SC)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C10H11ClN2O2S/c1-12-10(14)15-13-9(16-2)7-3-5-8(11)6-4-7/h3-6H,1-2H3,(H,12,14)"	"BAIUXJCALQSOKD-UHFFFAOYSA-N"	FALSE	FALSE	670	3	4
"1698-53-9"	"DTXSID60168751"	"2-Phenyl-4,5-dichloro-3-pyridazinone"	"EPA_DSSTox"	"O=C1C(Cl)=C(Cl)C=NN1C1C=CC=CC=1"	"?"	"InChI=1S/C10H6Cl2N2O/c11-8-6-13-14(10(15)9(8)12)7-4-2-1-3-5-7/h1-6H"	"VKWCOHVAHQOJGU-UHFFFAOYSA-N"	FALSE	TRUE	2520	3	5
"1698-60-8"	"DTXSID3034872"	"Chloridazon"	"EPA_DSSTox"	"NC1C=NN(C(=O)C=1Cl)C1C=CC=CC=1"	"?"	"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"	FALSE	TRUE	2001	3	5
"17013-35-3"	NA	NA	"Public_CrossChecked"	"CC=CC(C)C1(CC)C(=O)NC(=O)NC1=O"	"?"	"InChI=1S/C11H16N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h4,6-7H,5H2,1-3H3,(H2,12,13,14,15,16)"	"PUAFBJFWUGOCOU-UHFFFAOYSA-N"	TRUE	FALSE	20	1	2
"1702-17-6"	"DTXSID9029221"	"Clopyralid"	"EPA_DSSTox"	"OC(=O)C1N=C(Cl)C=CC=1Cl"	"?"	"InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)"	"HUBANNPOLNYSAD-UHFFFAOYSA-N"	FALSE	TRUE	4300	3	5
"1703-48-6"	"DTXSID60168837"	"Dimabefylline [INN:DCF]"	"EPA_DSSTox"	"CN(C)C1C=CC(CN2C=NC3=C2C(=O)N(C)C(=O)N3C)=CC=1"	"?"	"InChI=1S/C16H19N5O2/c1-18(2)12-7-5-11(6-8-12)9-21-10-17-14-13(21)15(22)20(4)16(23)19(14)3/h5-8,10H,9H2,1-4H3"	"VUCZRCBQVXTIIV-UHFFFAOYSA-N"	FALSE	FALSE	1100	3	4
"1703-58-8"	"DTXSID6024670"	"1,2,3,4-Butanetetracarboxylic acid"	"EPA_DSSTox"	"OC(=O)CC(C(CC(O)=O)C(O)=O)C(O)=O"	"?"	"InChI=1S/C8H10O8/c9-5(10)1-3(7(13)14)4(8(15)16)2-6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)"	"GGAUUQHSCNMCAU-UHFFFAOYSA-N"	FALSE	FALSE	1720	3	4
"1707-14-8"	"DTXSID0047822"	"Phenmetrazine hydrochloride"	"EPA_DSSTox"	"CC1NCCOC1C1C=CC=CC=1"	"Cl"	"InChI=1S/C11H15NO/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3"	"OOBHFESNSZDWIU-UHFFFAOYSA-N"	FALSE	FALSE	165	2	3
"17074-42-9"	NA	NA	"Public_CrossChecked"	"CCN(CCNC1=C2C(=CC=CC2=NC2C=CC=CC=21)[N+]([O-])=O)CC"	"[Cl-].[Cl-]"	"InChI=1S/C19H22N4O2/c1-3-22(4-2)13-12-20-19-14-8-5-6-9-15(14)21-16-10-7-11-17(18(16)19)23(24)25/h5-11H,3-4,12-13H2,1-2H3,(H,20,21)"	"KQXNZWRSJOPJHO-UHFFFAOYSA-N"	TRUE	FALSE	42.2	1	2
"17074-44-1"	NA	NA	"Public_CrossChecked"	"CCN(CCCNC1=C2C(=CC=CC2=NC2C=CC=CC=21)[N+]([O-])=O)CC"	"?"	"InChI=1S/C20H24N4O2/c1-3-23(4-2)14-8-13-21-20-15-9-5-6-10-16(15)22-17-11-7-12-18(19(17)20)24(25)26/h5-7,9-12H,3-4,8,13-14H2,1-2H3,(H,21,22)"	"MLPKZUBKJDQRIK-UHFFFAOYSA-N"	FALSE	FALSE	63.2	2	3
"1708-39-0"	NA	NA	"Public_CrossChecked"	"OCC1COC(O1)C1C=CC=CC=1"	"?"	"InChI=1S/C10H12O3/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2"	"AUDDNHGBAJNKEH-UHFFFAOYSA-N"	FALSE	TRUE	3150	3	5
"17088-72-1"	NA	NA	"Public_CrossChecked"	"CCCCCCCC[N+](CCOC(=O)C(C1CCCC1)C1CCCC1)(CC)CC"	"[Br-]"	"InChI=1S/C26H50NO2/c1-4-7-8-9-10-15-20-27(5-2,6-3)21-22-29-26(28)25(23-16-11-12-17-23)24-18-13-14-19-24/h23-25H,4-22H2,1-3H3/q+1"	"JQVBGTKMTRKHML-UHFFFAOYSA-N"	FALSE	FALSE	1200	3	4
"1709-50-8"	"DTXSID8075120"	"N,N-Diethylbenzenesulfonamide"	"EPA_DSSTox"	"CCN(CC)S(=O)(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C10H15NO2S/c1-3-11(4-2)14(12,13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3"	"FZIFUJULXRFHBB-UHFFFAOYSA-N"	FALSE	FALSE	890	3	4
"1709-70-2"	"DTXSID6027428"	"Ionox 330"	"EPA_DSSTox"	"CC(C)(C)C1=CC(CC2C(C)=C(CC3=CC(=C(O)C(=C3)C(C)(C)C)C(C)(C)C)C(C)=C(CC3=CC(=C(O)C(=C3)C(C)(C)C)C(C)(C)C)C=2C)=CC(=C1O)C(C)(C)C"	"?"	"InChI=1S/C54H78O3/c1-31-37(22-34-25-40(49(4,5)6)46(55)41(26-34)50(7,8)9)32(2)39(24-36-29-44(53(16,17)18)48(57)45(30-36)54(19,20)21)33(3)38(31)23-35-27-42(51(10,11)12)47(56)43(28-35)52(13,14)15/h25-30,55-57H,22-24H2,1-21H3"	"VSAWBBYYMBQKIK-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"17091-21-3"	"DTXSID40168971"	"1,3-Propanediol, 2-(N-ethyl-N-tetradecylamino)-2-methyl-, hydrochloride"	"EPA_DSSTox"	"CCCCCCCCCCCCCCN(CC)C(C)(CO)CO"	"Cl"	"InChI=1S/C20H43NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21(5-2)20(3,18-22)19-23/h22-23H,4-19H2,1-3H3"	"IDRJLCDTCKAKHQ-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"17095-24-8"	"DTXSID4027787"	"2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3,6-bis[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, tetrasodium salt"	"EPA_DSSTox"	"NC1C2=C(C=C(C(N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(O)(=O)=O)=C2O)S(O)(=O)=O)C=C(C=1N=NC1=CC=C(C=C1)S(=O)(=O)CCOS(O)(=O)=O)S(O)(=O)=O"	"[Na+].[Na+].[Na+].[Na+]"	"InChI=1S/C26H25N5O19S6/c27-23-22-15(13-20(53(37,38)39)24(23)30-28-16-1-5-18(6-2-16)51(33,34)11-9-49-55(43,44)45)14-21(54(40,41)42)25(26(22)32)31-29-17-3-7-19(8-4-17)52(35,36)12-10-50-56(46,47)48/h1-8,13-14,32H,9-12,27H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)"	"OTKRGWXWWWNPKU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"17109-49-8"	"DTXSID7041910"	"Edifenphos"	"EPA_DSSTox"	"CCOP(=O)(SC1C=CC=CC=1)SC1C=CC=CC=1"	"?"	"InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3"	"AWZOLILCOUMRDG-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"1711-06-4"	"DTXSID0061905"	"Benzoyl chloride, 3-methyl-"	"EPA_DSSTox"	"CC1=CC(=CC=C1)C(=O)Cl"	"?"	"InChI=1S/C8H7ClO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3"	"YHOYYHYBFSYOSQ-UHFFFAOYSA-N"	FALSE	TRUE	3440	3	5
"1713-12-8"	"DTXSID5042112"	"MCPA-butyl"	"EPA_DSSTox"	"CC1C=C(Cl)C=CC=1OCC(=O)OCCCC"	"?"	"InChI=1S/C13H17ClO3/c1-3-4-7-16-13(15)9-17-12-6-5-11(14)8-10(12)2/h5-6,8H,3-4,7,9H2,1-2H3"	"PKRRSPSPRIGHQE-UHFFFAOYSA-N"	FALSE	FALSE	914	3	4
"1713-15-1"	"DTXSID6041347"	"2,4-D-isobutyl"	"EPA_DSSTox"	"CC(C)COC(=O)COC1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C12H14Cl2O3/c1-8(2)6-17-12(15)7-16-11-4-3-9(13)5-10(11)14/h3-5,8H,6-7H2,1-2H3"	"GPSGZZSRFJXXBA-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"1713-97-9"	NA	NA	"Public_CrossChecked"	"CC(C)OP(=S)(CCl)SC1=CC=C(Cl)C=C1"	"?"	"InChI=1S/C10H13Cl2OPS2/c1-8(2)13-14(15,7-11)16-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3"	"WFQFIEFLHILPBF-UHFFFAOYSA-N"	TRUE	FALSE	26	1	2
"1713-98-0"	NA	NA	"Public_CrossChecked"	"CCCOP(=S)(CCl)SC1=CC=C(Cl)C=C1"	"?"	"InChI=1S/C10H13Cl2OPS2/c1-2-7-13-14(15,8-11)16-10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3"	"SBZAUEKBWDRPRQ-UHFFFAOYSA-N"	FALSE	FALSE	80	2	3
"1714-03-0"	NA	NA	"Public_CrossChecked"	"CC(C)OP(=S)(CCl)SC1C=CC(F)=CC=1"	"?"	"InChI=1S/C10H13ClFOPS2/c1-8(2)13-14(15,7-11)16-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3"	"ASQKPFCEZLKDDQ-UHFFFAOYSA-N"	TRUE	FALSE	39	1	2
"1715-40-8"	"DTXSID6041680"	"Bromociclen"	"EPA_DSSTox"	"ClC1(Cl)C2(Cl)CC(CBr)C1(Cl)C(Cl)=C2Cl"	"?"	"InChI=1S/C8H5BrCl6/c9-2-3-1-6(12)4(10)5(11)7(3,13)8(6,14)15/h3H,1-2H2"	"DAASOABUJRMZAD-UHFFFAOYSA-N"	FALSE	TRUE	12500	4	5
"1716-09-2"	"DTXSID7057997"	"Fenthion-ethyl"	"EPA_DSSTox"	"CC1=CC(=CC=C1SC)OP(=S)(OCC)OCC"	"?"	"InChI=1S/C12H19O3PS2/c1-5-13-16(17,14-6-2)15-11-7-8-12(18-4)10(3)9-11/h7-9H,5-6H2,1-4H3"	"WGWJBWHBOKETRC-UHFFFAOYSA-N"	TRUE	FALSE	14	1	2
"1717-00-6"	"DTXSID2020422"	"1,1-Dichloro-1-fluoroethane"	"EPA_DSSTox"	"CC(F)(Cl)Cl"	"?"	"InChI=1S/C2H3Cl2F/c1-2(3,4)5/h1H3"	"FRCHKSNAZZFGCA-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1719-58-0"	"DTXSID5042378"	"Chloro(dimethyl)vinylsilane"	"EPA_DSSTox"	"C[Si](C)(Cl)C=C"	"?"	"InChI=1S/C4H9ClSi/c1-4-6(2,3)5/h4H,1H2,2-3H3"	"XSDCTSITJJJDPY-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"17191-84-3"	"DTXSID90169190"	"2-Propanone, 1-(p-chlorophenyl-tert-butyl)amino-"	"EPA_DSSTox"	"CC(=O)CNC(C)(C)CC1=CC=C(Cl)C=C1"	"?"	"InChI=1S/C13H18ClNO/c1-10(16)9-15-13(2,3)8-11-4-6-12(14)7-5-11/h4-7,15H,8-9H2,1-3H3"	"LWMGJOOWFUDHTI-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"17200-29-2"	"DTXSID40169201"	"Benzoxazole, 5-chloro-"	"EPA_DSSTox"	"ClC1C=C2N=COC2=CC=1"	"?"	"InChI=1S/C7H4ClNO/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H"	"VWMQXAYLHOSRKA-UHFFFAOYSA-N"	FALSE	FALSE	650	3	4
"17230-87-4"	NA	NA	"Public_CrossChecked"	"OC1(CCN(CCCC(=O)C2C=CC(F)=CC=2)CC1)C1C=CC(Cl)=C(C=1)C(F)(F)F"	"[Cl-]"	"InChI=1S/C22H22ClF4NO2/c23-19-8-5-16(14-18(19)22(25,26)27)21(30)9-12-28(13-10-21)11-1-2-20(29)15-3-6-17(24)7-4-15/h3-8,14,30H,1-2,9-13H2"	"LZFSKNPPWIFMFL-UHFFFAOYSA-N"	FALSE	FALSE	195	2	3
"17230-88-5"	"DTXSID2022880"	"Danazol"	"EPA_DSSTox"	"CC12CCC3C(CCC4=CC5ON=CC=5CC43C)C1CCC2(O)C#C"	"?"	"InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3"	"POZRVZJJTULAOH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"17243-64-0"	NA	NA	"Public_CrossChecked"	"CCN1C(=CC(=O)OCC)SC(C1=O)N1CCCCC1"	"?"	"InChI=1S/C14H22N2O3S/c1-3-16-11(10-12(17)19-4-2)20-14(13(16)18)15-8-6-5-7-9-15/h10,14H,3-9H2,1-2H3"	"UAXYBJSAPFTPNB-UHFFFAOYSA-N"	FALSE	TRUE	3256	3	5
"172529-93-0"	"DTXSID90433242"	"Dimethyl [2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate"	"EPA_DSSTox"	"COC(=O)C(CCN1C=NC2=C(Cl)N=C(N)N=C12)C(=O)OC"	"?"	"InChI=1S/C12H14ClN5O4/c1-21-10(19)6(11(20)22-2)3-4-18-5-15-7-8(13)16-12(14)17-9(7)18/h5-6H,3-4H2,1-2H3,(H2,14,16,17)"	"SALNWJHEVGXTER-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"17289-49-5"	"DTXSID1046130"	"Tetridamine"	"EPA_DSSTox"	"CNC1=C2CCCCC2=NN1C"	"?"	"InChI=1S/C9H15N3/c1-10-9-7-5-3-4-6-8(7)11-12(9)2/h10H,3-6H2,1-2H3"	"NKDJNEGDJVXHKM-UHFFFAOYSA-N"	FALSE	FALSE	1850	3	4
"17291-84-8"	NA	NA	"Public_CrossChecked"	"CC1C=CC=C(C)C=1CCNC(N)=O"	"?"	"InChI=1S/C11H16N2O/c1-8-4-3-5-9(2)10(8)6-7-13-11(12)14/h3-5H,6-7H2,1-2H3,(H3,12,13,14)"	"PIMJYOORDYDRBD-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"17291-89-3"	NA	NA	"Public_CrossChecked"	"CC1=CC(CCNC(N)=O)=C(C)C=C1"	"?"	"InChI=1S/C11H16N2O/c1-8-3-4-9(2)10(7-8)5-6-13-11(12)14/h3-4,7H,5-6H2,1-2H3,(H3,12,13,14)"	"IGDQWXCMSOONEI-UHFFFAOYSA-N"	FALSE	TRUE	2300	3	5
"17293-03-7"	NA	NA	"Public_CrossChecked"	"ClCC1C(Cl)=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C7H4Cl4/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2H,3H2"	"NJQRKFOZZUIMGW-UHFFFAOYSA-N"	FALSE	TRUE	3075	3	5
"173159-57-4"	"DTXSID7034753"	"Foramsulfuron"	"EPA_DSSTox"	"CN(C)C(=O)C1C=CC(=CC=1S(=O)(=O)NC(=O)NC1N=C(C=C(N=1)OC)OC)NC=O"	"?"	"InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)"	"PXDNXJSDGQBLKS-UHFFFAOYSA-N"	FALSE	TRUE	3881	3	5
"17321-47-0"	"DTXSID4027789"	"O,O-Dimethyl phosphoramidothioate"	"EPA_DSSTox"	"COP(N)(=S)OC"	"?"	"InChI=1S/C2H8NO2PS/c1-4-6(3,7)5-2/h1-2H3,(H2,3,7)"	"NKYPKIVMIGIWOB-UHFFFAOYSA-N"	FALSE	FALSE	410	2	4
"1733-25-1"	"DTXSID70883746"	"2-Butenoic acid, 2-methyl-, 1-methylethyl ester, (2E)-"	"EPA_DSSTox"	"CC(=CC)C(=O)OC(C)C"	"?"	"InChI=1S/C8H14O2/c1-5-7(4)8(9)10-6(2)3/h5-6H,1-4H3"	"VUPBIVVRPJDWNW-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"17334-68-8"	"DTXSID90169599"	"Isoxazole(3,4-d)pyridazin-7(6H)-one, 3-methyl-4-phenyl-"	"EPA_DSSTox"	"CC1ON=C2C(=O)NN=C(C2=1)C1C=CC=CC=1"	"?"	"InChI=1S/C12H9N3O2/c1-7-9-10(8-5-3-2-4-6-8)13-14-12(16)11(9)15-17-7/h2-6H,1H3,(H,14,16)"	"YUQZAUWIHXYWKC-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"17335-06-7"	"DTXSID40169605"	"3-Isoxazolecarboxylic acid, 4-benzoyl-5-methyl-, ethyl ester"	"EPA_DSSTox"	"CC1ON=C(C=1C(=O)C1C=CC=CC=1)C(=O)OCC"	"?"	"InChI=1S/C14H13NO4/c1-3-18-14(17)12-11(9(2)19-15-12)13(16)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3"	"MIRRVOUGVODFOY-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"17351-75-6"	"DTXSID0044604"	"1,4-Bis[(ethenyloxy)methyl]cyclohexane"	"EPA_DSSTox"	"C=COCC1CCC(COC=C)CC1"	"?"	"InChI=1S/C12H20O2/c1-3-13-9-11-5-7-12(8-6-11)10-14-4-2/h3-4,11-12H,1-2,5-10H2"	"DQNSRQYYCSXZDF-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"17356-42-2"	"DTXSID4037538"	"Ethion monooxon"	"EPA_DSSTox"	"CCOP(=O)(OCC)SCSP(=S)(OCC)OCC"	"?"	"InChI=1S/C9H22O5P2S3/c1-5-11-15(10,12-6-2)18-9-19-16(17,13-7-3)14-8-4/h5-9H2,1-4H3"	"QPNPEPLJFIUWDM-UHFFFAOYSA-N"	TRUE	FALSE	35.12	1	2
"173584-44-6"	"DTXSID1032690"	"Indoxacarb"	"EPA_DSSTox"	"COC(=O)N(C1C=CC(=CC=1)OC(F)(F)F)C(=O)N1COC2(CC3C=C(Cl)C=CC=3C2=N1)C(=O)OC"	"?"	"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"	FALSE	FALSE	268	2	3
"17364-40-8"	NA	NA	"Public_CrossChecked"	"OC1=C(C=O)C(=NN1C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C16H12N2O2/c19-11-14-15(12-7-3-1-4-8-12)17-18(16(14)20)13-9-5-2-6-10-13/h1-11,20H"	"LQPLMHXMTRQVMS-UHFFFAOYSA-N"	FALSE	FALSE	789	3	4
"17364-41-9"	NA	NA	"Public_CrossChecked"	"CC1=NN(C(O)=C1C=O)C1C=CC=CC=1"	"?"	"InChI=1S/C11H10N2O2/c1-8-10(7-14)11(15)13(12-8)9-5-3-2-4-6-9/h2-7,15H,1H3"	"CAABWYILLVOLJI-UHFFFAOYSA-N"	FALSE	FALSE	716	3	4
"17369-59-4"	"DTXSID7025972"	"3-Propylidenephthalide"	"EPA_DSSTox"	"CCC=C1OC(=O)C2C=CC=CC=21"	"?"	"InChI=1S/C11H10O2/c1-2-5-10-8-6-3-4-7-9(8)11(12)13-10/h3-7H,2H2,1H3"	"NGSZDVVHIGAMOJ-UHFFFAOYSA-N"	FALSE	FALSE	1650	3	4
"1737-17-3"	"DTXSID40169645"	"Urea, 1-(fluoroacetyl)-3-phenyl-"	"EPA_DSSTox"	"O=C(NC1C=CC=CC=1)NC(=O)CF"	"?"	"InChI=1S/C9H9FN2O2/c10-6-8(13)12-9(14)11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,12,13,14)"	"WKZDHMCNRYQPHR-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"1738-25-6"	"DTXSID0027432"	"3-Dimethylaminopropionitrile"	"EPA_DSSTox"	"CN(C)CCC#N"	"?"	"InChI=1S/C5H10N2/c1-7(2)5-3-4-6/h3,5H2,1-2H3"	"MTPJEFOSTIKRSS-UHFFFAOYSA-N"	FALSE	TRUE	2600	3	5
"17392-83-5"	NA	NA	"Public_CrossChecked"	"COC(O)C(C)=O"	"?"	"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h4,6H,1-2H3"	"RETWRLMOZHRKHX-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1740-11-0"	NA	NA	"Public_CrossChecked"	"CN1C(=O)C2C(C3C(C2C=C3C(O)(C2C=CC=CN=2)C2C=CC=CC=2)=C(C2C=CC=CN=2)C2C=CC=CC=2)C1=O"	"?"	"InChI=1S/C34H27N3O3/c1-37-32(38)29-23-20-24(34(40,22-14-6-3-7-15-22)26-17-9-11-19-36-26)30(31(29)33(37)39)28(23)27(21-12-4-2-5-13-21)25-16-8-10-18-35-25/h2-20,23,29-31,40H,1H3"	"DEBVDMMDLMJFLX-UHFFFAOYSA-N"	TRUE	FALSE	12	1	2
"1740-15-4"	NA	NA	"Public_CrossChecked"	"CC1(C)C2CC(OC3=CC=C(N)C=C3)C1(C)CC2"	"?"	"InChI=1S/C16H23NO/c1-15(2)11-8-9-16(15,3)14(10-11)18-13-6-4-12(17)5-7-13/h4-7,11,14H,8-10,17H2,1-3H3"	"VUROJSVSZNEPDB-UHFFFAOYSA-N"	FALSE	FALSE	660	3	4
"174063-87-7"	"DTXSID20609877"	"2-Methyl-1,4-phenylene bis{4-[3-(acryloyloxy)propoxy]benzoate}"	"EPA_DSSTox"	"CC1=CC(=CC=C1OC(=O)C1C=CC(=CC=1)OCCCOC(=O)C=C)OC(=O)C1C=CC(=CC=1)OCCCOC(=O)C=C"	"?"	"InChI=1S/C33H32O10/c1-4-30(34)40-20-6-18-38-26-12-8-24(9-13-26)32(36)42-28-16-17-29(23(3)22-28)43-33(37)25-10-14-27(15-11-25)39-19-7-21-41-31(35)5-2/h4-5,8-17,22H,1-2,6-7,18-21H2,3H3"	"ISSYGWIDLYOJEN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1741-11-3"	NA	NA	"Public_CrossChecked"	"CC(=O)OCSP(=S)(OC)OC"	"?"	"InChI=1S/C5H11O4PS2/c1-5(6)9-4-12-10(11,7-2)8-3/h4H2,1-3H3"	"NOQSFQMPWUXNPT-UHFFFAOYSA-N"	FALSE	FALSE	93	2	3
"17418-58-5"	"DTXSID2025210"	"C.I. Disperse Red 60"	"EPA_DSSTox"	"NC1C2=C(C(O)=CC=1OC1C=CC=CC=1)C(=O)C1C=CC=CC=1C2=O"	"?"	"InChI=1S/C20H13NO4/c21-18-15(25-11-6-2-1-3-7-11)10-14(22)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23/h1-10,22H,21H2"	"MHXFWEJMQVIWDH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"17420-30-3"	"DTXSID0038839"	"2-Amino-5-nitrobenzonitrile"	"EPA_DSSTox"	"NC1C=CC(=CC=1C#N)[N+]([O-])=O"	"?"	"InChI=1S/C7H5N3O2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,9H2"	"MGCGMYPNXAFGFA-UHFFFAOYSA-N"	FALSE	TRUE	3884	3	5
"17433-31-7"	"DTXSID2024408"	"1-Acetyl-2-picolinoylhydrazine"	"EPA_DSSTox"	"CC(=O)NNC(=O)C1=CC=CC=N1"	"?"	"InChI=1S/C8H9N3O2/c1-6(12)10-11-8(13)7-4-2-3-5-9-7/h2-5H,1H3,(H,10,12)(H,11,13)"	"FDJAMXYLIRPRIS-UHFFFAOYSA-N"	FALSE	FALSE	673	3	4
"17433-39-5"	NA	NA	"Public_CrossChecked"	"CC(=O)SCC1=CN=C(C)C(O)=C1CN"	"[Br-]"	"InChI=1S/C10H14N2O2S/c1-6-10(14)9(3-11)8(4-12-6)5-15-7(2)13/h4,14H,3,5,11H2,1-2H3"	"WFDOUHNPFWCKBQ-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"1744-22-5"	"DTXSID3045192"	"Riluzole"	"EPA_DSSTox"	"NC1=NC2C=CC(=CC=2S1)OC(F)(F)F"	"?"	"InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)"	"FTALBRSUTCGOEG-UHFFFAOYSA-N"	TRUE	FALSE	45	1	2
"1745-89-7"	"DTXSID1061942"	"Phenol, 4,4'-(1-methylethylidene)bis[2-(2-propenyl)-"	"EPA_DSSTox"	"CC(C)(C1=CC(CC=C)=C(O)C=C1)C1C=C(CC=C)C(O)=CC=1"	"?"	"InChI=1S/C21H24O2/c1-5-7-15-13-17(9-11-19(15)22)21(3,4)18-10-12-20(23)16(14-18)8-6-2/h5-6,9-14,22-23H,1-2,7-8H2,3-4H3"	"WOCGGVRGNIEDSZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"17455-13-9"	"DTXSID7058626"	"18-Crown-6?"	"EPA_DSSTox"	"C1COCCOCCOCCOCCOCCO1"	"?"	"InChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2"	"XEZNGIUYQVAUSS-UHFFFAOYSA-N"	FALSE	FALSE	525	3	4
"1746-01-6"	"DTXSID2021315"	"2,3,7,8-Tetrachlorodibenzo-p-dioxin"	"EPA_DSSTox"	"ClC1=CC2OC3C=C(Cl)C(Cl)=CC=3OC=2C=C1Cl"	"?"	"InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H"	"HGUFODBRKLSHSI-UHFFFAOYSA-N"	TRUE	FALSE	0.02	1	1
"1746-25-4"	"DTXSID70169855"	"2,4,5-Triiodoimidazole"	"EPA_DSSTox"	"IC1N=C(I)NC=1I"	"?"	"InChI=1S/C3HI3N2/c4-1-2(5)8-3(6)7-1/h(H,7,8)"	"HIDCNJIBRZBEPN-UHFFFAOYSA-N"	FALSE	FALSE	278	2	3
"1746-81-2"	"DTXSID0037576"	"Monolinuron"	"EPA_DSSTox"	"CON(C)C(=O)NC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C9H11ClN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)"	"LKJPSUCKSLORMF-UHFFFAOYSA-N"	FALSE	FALSE	1800	3	4
"17471-82-8"	NA	NA	"Public_CrossChecked"	"NC(N)=NCC1C=C2OCCOC2=CC=1"	"?"	"InChI=1S/C10H13N3O2/c11-10(12)13-6-7-1-2-8-9(5-7)15-4-3-14-8/h1-2,5H,3-4,6H2,(H4,11,12,13)"	"WTDYJDLUNYALPM-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"17493-73-1"	"DTXSID4073413"	"2-Chloro-N-isopropoxymethyl-N-2',6'-acetoxylidide"	"EPA_DSSTox"	"CC1C=CC=C(C)C=1N(COC(C)C)C(=O)CCl"	"?"	"InChI=1S/C14H20ClNO2/c1-10(2)18-9-16(13(17)8-15)14-11(3)6-5-7-12(14)4/h5-7,10H,8-9H2,1-4H3"	"IYLMCARCSCXVNP-UHFFFAOYSA-N"	FALSE	FALSE	975	3	4
"1750-46-5"	"DTXSID60169920"	"Benzoxazole, 2-amino-5-chloro-6-hydroxy-"	"EPA_DSSTox"	"NC1=NC2=CC(Cl)=C(O)C=C2O1"	"?"	"InChI=1S/C7H5ClN2O2/c8-3-1-4-6(2-5(3)11)12-7(9)10-4/h1-2,11H,(H2,9,10)"	"DICNWOXTWUJPIQ-UHFFFAOYSA-N"	FALSE	FALSE	1070	3	4
"17511-60-3"	"DTXSID8036312"	"4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, propanoate"	"EPA_DSSTox"	"CCC(=O)OC1CC2CC1C1CC=CC21"	"?"	"InChI=1S/C13H18O2/c1-2-13(14)15-12-7-8-6-11(12)10-5-3-4-9(8)10/h3-4,8-12H,2,5-7H2,1H3"	"BLBJUGKATXCWET-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"17514-68-0"	"DTXSID30604010"	"7-Chloro-3-methyl-1-benzothiophene"	"EPA_DSSTox"	"CC1=CSC2C(Cl)=CC=CC=21"	"?"	"InChI=1S/C9H7ClS/c1-6-5-11-9-7(6)3-2-4-8(9)10/h2-5H,1H3"	"PIURQZBTTSWWOY-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"17518-47-7"	"DTXSID4066208"	"1-Naphthaleneethanethioamide"	"EPA_DSSTox"	"NC(=S)CC1C=CC=C2C=CC=CC2=1"	"?"	"InChI=1S/C12H11NS/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)"	"FUDCGMJJFOGQFO-UHFFFAOYSA-N"	FALSE	FALSE	60	2	3
"1752-30-3"	"DTXSID6044480"	"Acetone thiosemicarbazide"	"EPA_DSSTox"	"CC(C)=NNC(N)=S"	"?"	"InChI=1S/C4H9N3S/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8)"	"FQUDPIIGGVBZEQ-UHFFFAOYSA-N"	TRUE	FALSE	48.5	1	2
"17526-94-2"	"DTXSID0044606"	"3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea)"	"EPA_DSSTox"	"CC1=CC=C(C=C1NC(=O)N(C)C)NC(=O)N(C)C"	"?"	"InChI=1S/C13H20N4O2/c1-9-6-7-10(14-12(18)16(2)3)8-11(9)15-13(19)17(4)5/h6-8H,1-5H3,(H,14,18)(H,15,19)"	"KDQTUCKOAOGTLT-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1754-49-0"	"DTXSID50169979"	"Phosphonic acid, phenyl-, diethyl ester"	"EPA_DSSTox"	"CCOP(=O)(OCC)C1C=CC=CC=1"	"?"	"InChI=1S/C10H15O3P/c1-3-12-14(11,13-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3"	"VZEGPPPCKHRYGO-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"1754-58-1"	"DTXSID6041846"	"Diamidafos"	"EPA_DSSTox"	"CNP(=O)(NC)OC1C=CC=CC=1"	"?"	"InChI=1S/C8H13N2O2P/c1-9-13(11,10-2)12-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,9,10,11)"	"ZKIBFASDNPOJFP-UHFFFAOYSA-N"	FALSE	FALSE	140	2	3
"1755-97-1"	"DTXSID7073274"	"1,3,2-Dioxathiane, 5,5-dimethyl-, 2,2-dioxide"	"EPA_DSSTox"	"CC1(C)COS(=O)(=O)OC1"	"?"	"InChI=1S/C5H10O4S/c1-5(2)3-8-10(6,7)9-4-5/h3-4H2,1-2H3"	"TVAKWODGKZEADD-UHFFFAOYSA-N"	TRUE	FALSE	10	1	2
"17557-23-2"	"DTXSID8025707"	"Neopentyl glycol diglycidyl ether"	"EPA_DSSTox"	"CC(C)(COCC1CO1)COCC1CO1"	"?"	"InChI=1S/C11H20O4/c1-11(2,7-12-3-9-5-14-9)8-13-4-10-6-15-10/h9-10H,3-8H2,1-2H3"	"KUAUJXBLDYVELT-UHFFFAOYSA-N"	FALSE	TRUE	4500	3	5
"17560-51-9"	"DTXSID6045167"	"Metolazone"	"EPA_DSSTox"	"CC1C=CC=CC=1N1C(C)NC2C=C(Cl)C(=CC=2C1=O)S(N)(=O)=O"	"?"	"InChI=1S/C16H16ClN3O3S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(24(18,22)23)7-11(13)16(20)21/h3-8,10,19H,1-2H3,(H2,18,22,23)"	"AQCHWTWZEMGIFD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"17564-81-7"	NA	NA	"Public_CrossChecked"	"CC1(C)CC(CC(C)C1)OC(=O)COC1=CC(=CC=C1)C(F)(F)F"	"?"	"InChI=1S/C18H23F3O3/c1-12-7-15(10-17(2,3)9-12)24-16(22)11-23-14-6-4-5-13(8-14)18(19,20)21/h4-6,8,12,15H,7,9-11H2,1-3H3"	"GNZUTADJQOWUFX-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"17564-84-0"	NA	NA	"Public_CrossChecked"	"CC1CC(CC(C)(C)C1)OC(=O)COC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C17H23ClO3/c1-12-8-15(10-17(2,3)9-12)21-16(19)11-20-14-6-4-13(18)5-7-14/h4-7,12,15H,8-11H2,1-3H3"	"NTTYCVOEHUDYOK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"17576-88-4"	NA	NA	"Public_CrossChecked"	"CN(C)C1C=CC(=CC=1)N=NC1=CC(Br)=CC=C1"	"?"	"InChI=1S/C14H14BrN3/c1-18(2)14-8-6-12(7-9-14)16-17-13-5-3-4-11(15)10-13/h3-10H,1-2H3"	"XMJQUNYUCLITRE-UHFFFAOYSA-N"	FALSE	TRUE	13000	4	5
"17578-43-7"	"DTXSID90170024"	"Menthol N-methylcarbamate"	"EPA_DSSTox"	"CC(C)C1CCC(C)CC1OC(=O)NC"	"?"	"InChI=1S/C12H23NO2/c1-8(2)10-6-5-9(3)7-11(10)15-12(14)13-4/h8-11H,5-7H2,1-4H3,(H,13,14)"	"MFECVIRCZJLBCY-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"17578-44-8"	NA	NA	"Public_CrossChecked"	"CC1(C)C(OC(=O)NC)C2(C)CC1CC2"	"?"	"InChI=1S/C12H21NO2/c1-11(2)8-5-6-12(3,7-8)9(11)15-10(14)13-4/h8-9H,5-7H2,1-4H3,(H,13,14)"	"LZEAAJFXCGXOBU-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"1758-73-2"	"DTXSID4029224"	"Amino(imino)methanesulfinic acid"	"EPA_DSSTox"	"[H]/N=C(\N)/S(O)=O"	"?"	"InChI=1S/CH4N2O2S/c2-1(3)6(4)5/h(H3,2,3)(H,4,5)"	"FYOWZTWVYZOZSI-UHFFFAOYSA-N"	FALSE	FALSE	1120	3	4
"17590-01-1"	NA	NA	"Public_CrossChecked"	"CC(CC1C=CC=CC=1)NC(C#N)C1C=CC=CC=1"	"?"	"InChI=1S/C17H18N2/c1-14(12-15-8-4-2-5-9-15)19-17(13-18)16-10-6-3-7-11-16/h2-11,14,17,19H,12H2,1H3"	"NFHVTCJKAHYEQN-UHFFFAOYSA-N"	TRUE	FALSE	37.6	1	2
"1760-24-3"	"DTXSID5027433"	"N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine"	"EPA_DSSTox"	"CO[Si](CCCNCCN)(OC)OC"	"?"	"InChI=1S/C8H22N2O3Si/c1-11-14(12-2,13-3)8-4-6-10-7-5-9/h10H,4-9H2,1-3H3"	"PHQOGHDTIVQXHL-UHFFFAOYSA-N"	FALSE	FALSE	1897	3	4
"17601-49-9"	"DTXSID1075012"	"2,3,5-Triiodobenzoic acid dimethylamine salt"	"EPA_DSSTox"	"OC(=O)C1C=C(I)C=C(I)C=1I"	"[NH2+](C)C"	"InChI=1S/C7H3I3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)"	"ZMZGFLUUZLELNE-UHFFFAOYSA-N"	FALSE	FALSE	813	3	4
"17606-31-4"	"DTXSID6058001"	"Bensultap"	"EPA_DSSTox"	"CN(C)C(CSS(=O)(=O)C1C=CC=CC=1)CSS(=O)(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C17H21NO4S4/c1-18(2)15(13-23-25(19,20)16-9-5-3-6-10-16)14-24-26(21,22)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3"	"YFXPPSKYMBTNAV-UHFFFAOYSA-N"	FALSE	FALSE	1105	3	4
"17617-23-1"	"DTXSID1023071"	"Flurazepam"	"EPA_DSSTox"	"CCN(CCN1C(=O)CN=C(C2C=CC=CC=2F)C2C=C(Cl)C=CC1=2)CC"	"?"	"InChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3"	"SAADBVWGJQAEFS-UHFFFAOYSA-N"	FALSE	FALSE	980	3	4
"17654-88-5"	"DTXSID00170151"	"2H-1,3,4-Thiadiazole-2-thione, 5-mercapto-3-phenyl-"	"EPA_DSSTox"	"S=C1SC(=S)NN1C1C=CC=CC=1"	"?"	"InChI=1S/C8H6N2S3/c11-7-9-10(8(12)13-7)6-4-2-1-3-5-6/h1-5H,(H,9,11)"	"JRFUIXXCQSIOEB-UHFFFAOYSA-N"	FALSE	FALSE	763	3	4
"1766-91-2"	"DTXSID3048815"	"Penflutizide"	"EPA_DSSTox"	"CCCCCC1NS(=O)(=O)C2=CC(=C(C=C2N1)C(F)(F)F)S(N)(=O)=O"	"?"	"InChI=1S/C13H18F3N3O4S2/c1-2-3-4-5-12-18-9-6-8(13(14,15)16)10(24(17,20)21)7-11(9)25(22,23)19-12/h6-7,12,18-19H,2-5H2,1H3,(H2,17,20,21)"	"AKHXXQAIVSMYIS-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"17667-23-1"	"DTXSID30170169"	"Diospyrol"	"EPA_DSSTox"	"CC1C=C(O)C2=C(C=1)C=CC(C1C=CC3C=C(C)C=C(O)C=3C=1O)=C2O"	"?"	"InChI=1S/C22H18O4/c1-11-7-13-3-5-15(21(25)19(13)17(23)9-11)16-6-4-14-8-12(2)10-18(24)20(14)22(16)26/h3-10,23-26H,1-2H3"	"ATGBDIJBTXFUFY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1768-31-6"	"DTXSID7021651"	"1,1,1,3,3-Pentachloropropanone"	"EPA_DSSTox"	"O=C(C(Cl)Cl)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C3HCl5O/c4-2(5)1(9)3(6,7)8/h2H"	"RVSIFWBAGVMQKT-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"17688-68-5"	"DTXSID6051801"	"4-Phenylthiomorpholine 1,1-dioxide"	"EPA_DSSTox"	"O=S1(=O)CCN(CC1)C1C=CC=CC=1"	"?"	"InChI=1S/C10H13NO2S/c12-14(13)8-6-11(7-9-14)10-4-2-1-3-5-10/h1-5H,6-9H2"	"OLQHDKQJHKZUNN-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"17689-77-9"	"DTXSID3027792"	"Ethyltriacetoxysilane"	"EPA_DSSTox"	"CC[Si](OC(C)=O)(OC(C)=O)OC(C)=O"	"?"	"InChI=1S/C8H14O6Si/c1-5-15(12-6(2)9,13-7(3)10)14-8(4)11/h5H2,1-4H3"	"KXJLGCBCRCSXQF-UHFFFAOYSA-N"	FALSE	FALSE	1460	3	4
"17692-24-9"	"DTXSID00170217"	"Bisoxatin"	"EPA_DSSTox"	"OC1C=CC(=CC=1)C1(OC2C=CC=CC=2NC1=O)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C20H15NO4/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)19(24)21-17-3-1-2-4-18(17)25-20/h1-12,22-23H,(H,21,24)"	"BPKUDUSVDVLOPY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"17692-31-8"	"DTXSID0045624"	"Dropropizine"	"EPA_DSSTox"	"OCC(O)CN1CCN(CC1)C1C=CC=CC=1"	"?"	"InChI=1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2"	"PTVWPYVOOKLBCG-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"176972-62-6"	NA	NA	"Public_CrossChecked"	"COC(=O)NC(CC1C=CC=CC=1)C(O)CCl"	"?"	"InChI=1S/C12H16ClNO3/c1-17-12(16)14-10(11(15)8-13)7-9-5-3-2-4-6-9/h2-6,10-11,15H,7-8H2,1H3,(H,14,16)"	"ZAZXPIZQYVPWAW-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"1770-80-5"	"DTXSID1051802"	"Dibutyl chlorendate"	"EPA_DSSTox"	"CCCCOC(=O)C1C(C(=O)OCCCC)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl"	"?"	"InChI=1S/C17H20Cl6O4/c1-3-5-7-26-13(24)9-10(14(25)27-8-6-4-2)16(21)12(19)11(18)15(9,20)17(16,22)23/h9-10H,3-8H2,1-2H3"	"UJAHPBDUQZFDLA-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"17702-57-7"	"DTXSID9041992"	"Formparanate"	"EPA_DSSTox"	"CC1=CC(=CC=C1N=CN(C)C)OC(=O)NC"	"?"	"InChI=1S/C12H17N3O2/c1-9-7-10(17-12(16)13-2)5-6-11(9)14-8-15(3)4/h5-8H,1-4H3,(H,13,16)"	"NPCUJHYOBSHUJJ-UHFFFAOYSA-N"	TRUE	FALSE	7.2	1	2
"17702-79-3"	NA	NA	"Public_CrossChecked"	"CC1C=C(C)N=C(N=1)SP(=S)(OCCC)OCC"	"?"	"InChI=1S/C11H19N2O2PS2/c1-5-7-15-16(17,14-6-2)18-11-12-9(3)8-10(4)13-11/h8H,5-7H2,1-4H3"	"NHYHUYCPBYGOOU-UHFFFAOYSA-N"	FALSE	FALSE	79	2	3
"177313-65-4"	NA	NA	"Public_CrossChecked"	"COC1C=CC=CC=1OCC1SCCN1C(=O)CC(=O)OCC"	"?"	"InChI=1S/C16H21NO5S/c1-3-21-16(19)10-14(18)17-8-9-23-15(17)11-22-13-7-5-4-6-12(13)20-2/h4-7,15H,3,8-11H2,1-2H3"	"WSYVIAQNTFPTBI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"17737-65-4"	"DTXSID2046121"	"Clonixin"	"EPA_DSSTox"	"CC1C(Cl)=CC=CC=1NC1N=CC=CC=1C(O)=O"	"?"	"InChI=1S/C13H11ClN2O2/c1-8-10(14)5-2-6-11(8)16-12-9(13(17)18)4-3-7-15-12/h2-7H,1H3,(H,15,16)(H,17,18)"	"CLOMYZFHNHFSIQ-UHFFFAOYSA-N"	FALSE	FALSE	335	2	4
"17751-68-7"	NA	NA	"Public_CrossChecked"	"CCC(COC(C[N+]1C=CC=CC=1)C1=CC(Cl)=C(Cl)C=C1)CCCC"	"[Br-]"	"InChI=1S/C21H28Cl2NO/c1-3-5-9-17(4-2)16-25-21(15-24-12-7-6-8-13-24)18-10-11-19(22)20(23)14-18/h6-8,10-14,17,21H,3-5,9,15-16H2,1-2H3/q+1"	"GKGNKVGHUZEFEO-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"17751-69-8"	NA	NA	"Public_CrossChecked"	"CCCCCCCCOC(C[N+]1C=CC=CC=1)C1C=CC(=CC=1)C1CCCCC1"	"[Br-]"	"InChI=1S/C27H40NO/c1-2-3-4-5-6-13-22-29-27(23-28-20-11-8-12-21-28)26-18-16-25(17-19-26)24-14-9-7-10-15-24/h8,11-12,16-21,24,27H,2-7,9-10,13-15,22-23H2,1H3/q+1"	"FRHJERNVLXAZPP-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"17751-71-2"	NA	NA	"Public_CrossChecked"	"CCCCC(COC(C[N+]1C=CC=CC=1)C1C=CC(=CC=1)C1CCCCC1)CC"	"[Br-]"	"InChI=1S/C27H40NO/c1-3-5-12-23(4-2)22-29-27(21-28-19-10-7-11-20-28)26-17-15-25(16-18-26)24-13-8-6-9-14-24/h7,10-11,15-20,23-24,27H,3-6,8-9,12-14,21-22H2,1-2H3/q+1"	"CPODUHMKBUZAOX-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"17751-72-3"	NA	NA	"Public_CrossChecked"	"CCCCC(COC(C[N+]1C=CC=CC=1)C1C=CC=C(C=1)C1CCCCC1)CC"	"[Br-]"	"InChI=1S/C27H40NO/c1-3-5-13-23(4-2)22-29-27(21-28-18-10-7-11-19-28)26-17-12-16-25(20-26)24-14-8-6-9-15-24/h7,10-12,16-20,23-24,27H,3-6,8-9,13-15,21-22H2,1-2H3/q+1"	"FBPKWASRJVVXFC-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"17751-73-4"	NA	NA	"Public_CrossChecked"	"CCCCC(COC(C[N+]1C=CC=CC=1)C1C=CC(=CC=1)C1CCCC1)CC"	"[Br-]"	"InChI=1S/C26H38NO/c1-3-5-11-22(4-2)21-28-26(20-27-18-9-6-10-19-27)25-16-14-24(15-17-25)23-12-7-8-13-23/h6,9-10,14-19,22-23,26H,3-5,7-8,11-13,20-21H2,1-2H3/q+1"	"HIYANLXZCCUWEO-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"17751-75-6"	NA	NA	"Public_CrossChecked"	"CCCCCCCCOC(C[N+]1C=CC=CC=1)C1C=CC(=CC=1)C(C)(C)C"	"[Br-]"	"InChI=1S/C25H38NO/c1-5-6-7-8-9-13-20-27-24(21-26-18-11-10-12-19-26)22-14-16-23(17-15-22)25(2,3)4/h10-12,14-19,24H,5-9,13,20-21H2,1-4H3/q+1"	"UIZWZTBNNPDFFW-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"17751-76-7"	NA	NA	"Public_CrossChecked"	"CCCCOC(C[N+]1C=CC=CC=1)C1C=CC=CC=1"	"[Br-]"	"InChI=1S/C17H22NO/c1-2-3-14-19-17(16-10-6-4-7-11-16)15-18-12-8-5-9-13-18/h4-13,17H,2-3,14-15H2,1H3/q+1"	"BPPJJPPPAVOYSI-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"17751-77-8"	NA	NA	"Public_CrossChecked"	"CC(CC)OC(C[N+]1C=CC=CC=1)C1C=CC=CC=1"	"[Br-]"	"InChI=1S/C17H22NO/c1-3-15(2)19-17(16-10-6-4-7-11-16)14-18-12-8-5-9-13-18/h4-13,15,17H,3,14H2,1-2H3/q+1"	"IHHRMNOAFCHGGG-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"17754-90-4"	"DTXSID5022271"	"4-(Diethylamino)salicylaldehyde"	"EPA_DSSTox"	"CCN(CC)C1C=C(O)C(C=O)=CC=1"	"?"	"InChI=1S/C11H15NO2/c1-3-12(4-2)10-6-5-9(8-13)11(14)7-10/h5-8,14H,3-4H2,1-2H3"	"XFVZSRRZZNLWBW-UHFFFAOYSA-N"	FALSE	TRUE	2262	3	5
"1776-83-6"	"DTXSID1042368"	"Quintiofos"	"EPA_DSSTox"	"CCOP(=S)(OC1=CC=CC2C=CC=NC=21)C1C=CC=CC=1"	"?"	"InChI=1S/C17H16NO2PS/c1-2-19-21(22,15-10-4-3-5-11-15)20-16-12-6-8-14-9-7-13-18-17(14)16/h3-13H,2H2,1H3"	"OYFLKNAULOKYRI-UHFFFAOYSA-N"	FALSE	FALSE	150	2	3
"17766-26-6"	"DTXSID1044853"	"Trisodium 2,4,6-trithioxo-1,3,5-triazinane-1,3,5-triide"	"EPA_DSSTox"	"S=C1NC(=S)NC(=S)N1"	"[Na+].[Na+].[Na+]"	"InChI=1S/C3H3N3S3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)"	"WZRRRFSJFQTGGB-UHFFFAOYSA-N"	FALSE	FALSE	1182	3	4
"17773-10-3"	NA	NA	"Public_CrossChecked"	"C[N+](C)(C)CCO"	"[I-]"	"InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1"	"OEYIOHPDSNJKLS-UHFFFAOYSA-N"	FALSE	TRUE	6640	4	5
"17773-41-0"	"DTXSID80884986"	"Butanenitrile, 2-hydroxy-4-(methylthio)-"	"EPA_DSSTox"	"CSCCC(O)C#N"	"?"	"InChI=1S/C5H9NOS/c1-8-3-2-5(7)4-6/h5,7H,2-3H2,1H3"	"VWWOJJANXYSACS-UHFFFAOYSA-N"	TRUE	FALSE	48	1	2
"1778-08-1"	"DTXSID70170380"	"Salicylamide, N,N-dimethyl-"	"EPA_DSSTox"	"CN(C)C(=O)C1C=CC=CC=1O"	"?"	"InChI=1S/C9H11NO2/c1-10(2)9(12)7-5-3-4-6-8(7)11/h3-6,11H,1-2H3"	"UBAYZMJYXBTDBB-UHFFFAOYSA-N"	FALSE	TRUE	2300	3	5
"17780-75-5"	"DTXSID3045778"	"Clorgyline hydrochloride"	"EPA_DSSTox"	"CN(CC#C)CCCOC1=CC=C(Cl)C=C1Cl"	"Cl"	"InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3"	"BTFHLQRNAMSNLC-UHFFFAOYSA-N"	FALSE	FALSE	210	2	3
"17781-31-6"	"DTXSID4042256"	"Parinol"	"EPA_DSSTox"	"OC(C1=CN=CC=C1)(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C18H13Cl2NO/c19-16-7-3-13(4-8-16)18(22,15-2-1-11-21-12-15)14-5-9-17(20)10-6-14/h1-12,22H"	"NBNTWDUNCHRWMT-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"17788-00-0"	"DTXSID8066264"	"Phenol, 2,4-dichloro-3-methyl-"	"EPA_DSSTox"	"CC1C(Cl)=C(O)C=CC=1Cl"	"?"	"InChI=1S/C7H6Cl2O/c1-4-5(8)2-3-6(10)7(4)9/h2-3,10H,1H3"	"GIXSFSVVKULPEK-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1779-48-2"	"DTXSID0027436"	"Phenylphosphinic acid"	"EPA_DSSTox"	"OP(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C6H7O2P/c7-9(8)6-4-2-1-3-5-6/h1-5,9H,(H,7,8)"	"MLCHBQKMVKNBOV-UHFFFAOYSA-N"	FALSE	FALSE	1345	3	4
"17796-82-6"	"DTXSID8027793"	"N-(Cyclohexylthio)phthalimide"	"EPA_DSSTox"	"O=C1C2C=CC=CC=2C(=O)N1SC1CCCCC1"	"?"	"InChI=1S/C14H15NO2S/c16-13-11-8-4-5-9-12(11)14(17)15(13)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2"	"UEZWYKZHXASYJN-UHFFFAOYSA-N"	FALSE	TRUE	2600	3	5
"17804-49-8"	NA	NA	"Public_CrossChecked"	"OC1C2=C(C=C(C=1N=NC1C=CC=CC=1)S(O)(=O)=O)C=C(C=C2NC1N=C(Cl)N=C(Cl)N=1)S(O)(=O)=O"	"?"	"InChI=1S/C19H12Cl2N6O7S2/c20-17-23-18(21)25-19(24-17)22-12-8-11(35(29,30)31)6-9-7-13(36(32,33)34)15(16(28)14(9)12)27-26-10-4-2-1-3-5-10/h1-8,28H,(H,29,30,31)(H,32,33,34)(H,22,23,24,25)"	"ZJUUTHDAOGJGDU-UHFFFAOYSA-N"	FALSE	TRUE	7460	4	5
"17810-51-4"	NA	NA	"Public_CrossChecked"	"CCCCOC(C[N+]1C=CC=CC=1)C1=CC=C(CCCCCCCC)C=C1"	"[Br-]"	"InChI=1S/C25H38NO/c1-3-5-7-8-9-11-14-23-15-17-24(18-16-23)25(27-21-6-4-2)22-26-19-12-10-13-20-26/h10,12-13,15-20,25H,3-9,11,14,21-22H2,1-2H3/q+1"	"BYHINAGYQODHKS-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"17810-52-5"	NA	NA	"Public_CrossChecked"	"CCCCC(COC(C[N+]1C=CC=CC=1)C1C=CC=C(Cl)C=1)CC"	"[Br-]"	"InChI=1S/C21H29ClNO/c1-3-5-10-18(4-2)17-24-21(16-23-13-7-6-8-14-23)19-11-9-12-20(22)15-19/h6-9,11-15,18,21H,3-5,10,16-17H2,1-2H3/q+1"	"OYXCPVWNJKBCPL-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"17810-53-6"	NA	NA	"Public_CrossChecked"	"CCCCCOC(C[N+]1C=CC=CC=1)C1C=CC(=CC=1)C1CCCC1"	"[Br-]"	"InChI=1S/C23H32NO/c1-2-3-9-18-25-23(19-24-16-7-4-8-17-24)22-14-12-21(13-15-22)20-10-5-6-11-20/h4,7-8,12-17,20,23H,2-3,5-6,9-11,18-19H2,1H3/q+1"	"RFARLOHXCZLDJZ-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"17831-71-9"	"DTXSID2026107"	"Tetraethylene glycol diacrylate"	"EPA_DSSTox"	"C=CC(=O)OCCOCCOCCOCCOC(=O)C=C"	"?"	"InChI=1S/C14H22O7/c1-3-13(15)20-11-9-18-7-5-17-6-8-19-10-12-21-14(16)4-2/h3-4H,1-2,5-12H2"	"HCLJOFJIQIJXHS-UHFFFAOYSA-N"	FALSE	FALSE	813	3	4
"17854-59-0"	"DTXSID90170504"	"Mepixanox"	"EPA_DSSTox"	"COC1C=CC2=C(OC3C=CC=CC=3C2=O)C=1CN1CCCCC1"	"?"	"InChI=1S/C20H21NO3/c1-23-17-10-9-15-19(22)14-7-3-4-8-18(14)24-20(15)16(17)13-21-11-5-2-6-12-21/h3-4,7-10H,2,5-6,11-13H2,1H3"	"PYSOHOOUXFWCFF-UHFFFAOYSA-N"	FALSE	FALSE	183	2	3
"1786-08-9"	"DTXSID6051805"	"Nerol oxide"	"EPA_DSSTox"	"CC(C)=CC1CC(C)=CCO1"	"?"	"InChI=1S/C10H16O/c1-8(2)6-10-7-9(3)4-5-11-10/h4,6,10H,5,7H2,1-3H3"	"FRISMOQHTLZZRP-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"17865-32-6"	NA	NA	"Public_CrossChecked"	"C[Si](OC)(OC)C1CCCCC1"	"?"	"InChI=1S/C9H20O2Si/c1-10-12(3,11-2)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3"	"SJJCABYOVIHNPZ-UHFFFAOYSA-N"	FALSE	TRUE	2762	3	5
"17867-69-5"	"DTXSID10170521"	"Benzoic acid, 2-((hexyloxy)carbonyloxy)- (9CI)"	"EPA_DSSTox"	"CCCCCCOC(=O)OC1C=CC=CC=1C(O)=O"	"?"	"InChI=1S/C14H18O5/c1-2-3-4-7-10-18-14(17)19-12-9-6-5-8-11(12)13(15)16/h5-6,8-9H,2-4,7,10H2,1H3,(H,15,16)"	"XSIAKDCMDYUKNA-UHFFFAOYSA-N"	FALSE	TRUE	3447	3	5
"178671-58-4"	"DTXSID70170522"	"2-Propenoic acid, 2-cyano-3,3-diphenyl-2,2-bis(((2-cyano-1-oxo-3,3-diphenyl-2-propenyl)oxy)methyl)-1,3-propanediyl ester"	"EPA_DSSTox"	"N#CC(=C(C1C=CC=CC=1)C1C=CC=CC=1)C(=O)OCC(COC(=O)C(C#N)=C(C1C=CC=CC=1)C1C=CC=CC=1)(COC(=O)C(C#N)=C(C1C=CC=CC=1)C1C=CC=CC=1)COC(=O)C(C#N)=C(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C69H48N4O8/c70-41-57(61(49-25-9-1-10-26-49)50-27-11-2-12-28-50)65(74)78-45-69(46-79-66(75)58(42-71)62(51-29-13-3-14-30-51)52-31-15-4-16-32-52,47-80-67(76)59(43-72)63(53-33-17-5-18-34-53)54-35-19-6-20-36-54)48-81-68(77)60(44-73)64(55-37-21-7-22-38-55)56-39-23-8-24-40-56/h1-40H,45-48H2"	"CVSXFBFIOUYODT-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"178671-69-7"	NA	NA	"Public_CrossChecked"	"N#CCC(=O)OCC(COC(=O)CC#N)(COC(=O)CC#N)COC(=O)CC#N"	"?"	"InChI=1S/C17H16N4O8/c18-5-1-13(22)26-9-17(10-27-14(23)2-6-19,11-28-15(24)3-7-20)12-29-16(25)4-8-21/h1-4,9-12H2"	"HTQAGAJZBGSZIY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1787-44-6"	"DTXSID70170527"	"(2H3)Methyltriphenylphosphonium bromide"	"EPA_DSSTox"	"C[P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1"	"[Br-]"	"InChI=1S/C19H18P/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3/q+1"	"AZFQCTBZOPUVOW-UHFFFAOYSA-N"	FALSE	FALSE	118	2	3
"1787-61-7"	"DTXSID4061969"	"C.I. Mordant Black 11, monosodium salt"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC2C(=CC(O)=C(N=NC3C=CC4C=CC=CC=4C=3O)C=2C=C1)S(O)(=O)=O"	"[Na+]"	"InChI=1S/C20H13N3O7S/c24-17-10-18(31(28,29)30)15-9-12(23(26)27)6-7-14(15)19(17)22-21-16-8-5-11-3-1-2-4-13(11)20(16)25/h1-10,24-25H,(H,28,29,30)"	"GDHWAXDSTKHEAZ-UHFFFAOYSA-N"	FALSE	TRUE	17590	4	5
"178949-82-1"	"DTXSID1051806"	"N,N'-Ethylenedi-(L-aspartic acid) trisodium salt"	"EPA_DSSTox"	"OC(=O)CC(NCCNC(CC(O)=O)C(O)=O)C(O)=O"	"[Na+].[Na+].[Na+]"	"InChI=1S/C10H16N2O8/c13-7(14)3-5(9(17)18)11-1-2-12-6(10(19)20)4-8(15)16/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)"	"VKZRWSNIWNFCIQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"17902-23-7"	NA	NA	"Public_CrossChecked"	"O=c1[nH]c(=O)c(F)c[n]1C1CCCO1"	"?"	"InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)"	"WFWLQNSHRPWKFK-UHFFFAOYSA-N"	FALSE	FALSE	930	3	4
"17924-92-4"	"DTXSID0021460"	"Zearalenone"	"EPA_DSSTox"	"CC1CCCC(=O)CCCC=CC2C=C(O)C=C(O)C=2C(=O)O1 |t:10|"	"?"	"InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+"	"MBMQEIFVQACCCH-XVNBXDOJSA-N"	FALSE	TRUE	NA	4	5
"17929-34-9"	"DTXSID80170790"	"2-Benzoxazolinone, 5-chloro-3-hydroxymethyl-"	"EPA_DSSTox"	"OCN1C(=O)OC2C=CC(Cl)=CC1=2"	"?"	"InChI=1S/C8H6ClNO3/c9-5-1-2-7-6(3-5)10(4-11)8(12)13-7/h1-3,11H,4H2"	"FSCPTWHCVYVMGT-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"1795-58-0"	NA	NA	"Public_CrossChecked"	"COC(=O)C(CC(=O)OC)SP(=O)(OC)OC"	"?"	"InChI=1S/C8H15O7PS/c1-12-7(9)5-6(8(10)13-2)17-16(11,14-3)15-4/h6H,5H2,1-4H3"	"ZHVVLAPWOXUPHN-UHFFFAOYSA-N"	FALSE	FALSE	103	2	3
"17959-11-4"	"DTXSID20170835"	"Carbamic acid, (methoxyacetyl)methyl-, o-isopropoxyphenyl ester"	"EPA_DSSTox"	"COCC(=O)CNC(=O)OC1C=CC=CC=1OC(C)C"	"?"	"InChI=1S/C14H19NO5/c1-10(2)19-12-6-4-5-7-13(12)20-14(17)15-8-11(16)9-18-3/h4-7,10H,8-9H2,1-3H3,(H,15,17)"	"ANLFXSZRALURDN-UHFFFAOYSA-N"	FALSE	FALSE	70	2	3
"17959-33-0"	"DTXSID40170837"	"Carbamic acid, (chloroacetyl)methyl-, m-cumenyl ester"	"EPA_DSSTox"	"CC(C)C1C=C(C=CC=1)OC(=O)NCC(=O)CCl"	"?"	"InChI=1S/C13H16ClNO3/c1-9(2)10-4-3-5-12(6-10)18-13(17)15-8-11(16)7-14/h3-6,9H,7-8H2,1-2H3,(H,15,17)"	"WSBNBVCLSWQGIC-UHFFFAOYSA-N"	FALSE	FALSE	280	2	3
"1797-74-6"	"DTXSID8061977"	"Benzeneacetic acid, 2-propenyl ester"	"EPA_DSSTox"	"C=CCOC(=O)CC1C=CC=CC=1"	"?"	"InChI=1S/C11H12O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2-7H,1,8-9H2"	"ZCDYAMJXVAUTIM-UHFFFAOYSA-N"	FALSE	FALSE	650	3	4
"1798-49-8"	NA	NA	"Public_CrossChecked"	"ClC1C=CC(=CC=1)C(OCCN1CCOCC1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C19H22ClNO2/c20-18-8-6-17(7-9-18)19(16-4-2-1-3-5-16)23-15-12-21-10-13-22-14-11-21/h1-9,19H,10-15H2"	"CQDJBGPGXJWZTD-UHFFFAOYSA-N"	FALSE	FALSE	710	3	4
"1798-50-1"	"DTXSID90170867"	"Azacyclonol hydrochloride [NF]"	"EPA_DSSTox"	"OC(C1CCNCC1)(C1C=CC=CC=1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C18H21NO/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-10,17,19-20H,11-14H2"	"ZMISODWVFHHWNR-UHFFFAOYSA-N"	FALSE	FALSE	984	3	4
"17980-47-1"	"DTXSID1044857"	"Triethoxy(2-methylpropyl)silane"	"EPA_DSSTox"	"CC(C)C[Si](OCC)(OCC)OCC"	"?"	"InChI=1S/C10H24O3Si/c1-6-11-14(12-7-2,13-8-3)9-10(4)5/h10H,6-9H2,1-5H3"	"ALVYUZIFSCKIFP-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"1799-79-7"	"DTXSID30170881"	"Benzimidazole, 5,6-dimethyl-2-trifluoromethyl-"	"EPA_DSSTox"	"CC1=CC2N=C(NC=2C=C1C)C(F)(F)F"	"?"	"InChI=1S/C10H9F3N2/c1-5-3-7-8(4-6(5)2)15-9(14-7)10(11,12)13/h3-4H,1-2H3,(H,14,15)"	"TWDHFGXLFNUIKC-UHFFFAOYSA-N"	FALSE	FALSE	73	2	3
"18039-42-4"	"DTXSID6044858"	"5-Phenyl-1H-tetrazole"	"EPA_DSSTox"	"C1=CC=CC=C1C1NN=NN=1"	"?"	"InChI=1S/C7H6N4/c1-2-4-6(5-3-1)7-8-10-11-9-7/h1-5H,(H,8,9,10,11)"	"MARUHZGHZWCEQU-UHFFFAOYSA-N"	FALSE	FALSE	1901	3	4
"18046-21-4"	"DTXSID8023050"	"Fentiazac"	"EPA_DSSTox"	"OC(=O)CC1SC(=NC=1C1C=CC(Cl)=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C17H12ClNO2S/c18-13-8-6-11(7-9-13)16-14(10-15(20)21)22-17(19-16)12-4-2-1-3-5-12/h1-9H,10H2,(H,20,21)"	"JIEKMACRVQTPRC-UHFFFAOYSA-N"	FALSE	FALSE	409	2	4
"180591-20-2"	"DTXSID90625266"	"N-[(1,3-Benzothiazol-2-yl)sulfanyl]-N-benzyl-1-phenylmethanamine"	"EPA_DSSTox"	"C(C1C=CC=CC=1)N(CC1C=CC=CC=1)SC1=NC2=CC=CC=C2S1"	"?"	"InChI=1S/C21H18N2S2/c1-3-9-17(10-4-1)15-23(16-18-11-5-2-6-12-18)25-21-22-19-13-7-8-14-20(19)24-21/h1-14H,15-16H2"	"OJHFUROULITOCP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"18063-03-1"	"DTXSID4073417"	"Benzamide, 2,6-difluoro-"	"EPA_DSSTox"	"NC(=O)C1C(F)=CC=CC=1F"	"?"	"InChI=1S/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)"	"AVRQBXVUUXHRMY-UHFFFAOYSA-N"	FALSE	FALSE	1075	3	4
"18069-17-5"	"DTXSID4021632"	"2-Methylpentanedioic acid"	"EPA_DSSTox"	"CC(CCC(O)=O)C(O)=O"	"?"	"InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)"	"AQYCMVICBNBXNA-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"180793-94-6"	"DTXSID30171015"	"1,3,4-Thiadiazol-2-amine, N-(4-iodophenyl)-5-(2-(10H-phenothiazin-10-yl)ethyl)-"	"EPA_DSSTox"	"IC1C=CC(=CC=1)NC1=NN=C(CCN2C3C=CC=CC=3SC3C=CC=CC2=3)S1"	"?"	"InChI=1S/C22H17IN4S2/c23-15-9-11-16(12-10-15)24-22-26-25-21(29-22)13-14-27-17-5-1-3-7-19(17)28-20-8-4-2-6-18(20)27/h1-12H,13-14H2,(H,24,26)"	"NMCYQWYMASWXRJ-UHFFFAOYSA-N"	FALSE	TRUE	3100	3	5
"1808-26-0"	NA	NA	"Public_CrossChecked"	"CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCC"	"?"	"InChI=1S/C22H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-21H2,1-2H3"	"SNXPWYFWAZVIAU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1809-19-4"	"DTXSID0027438"	"Dibutyl phosphite"	"EPA_DSSTox"	"CCCCOP(=O)OCCCC"	"?"	"InChI=1S/C8H19O3P/c1-3-5-7-10-12(9)11-8-6-4-2/h12H,3-8H2,1-2H3"	"NFJPGAKRJKLOJK-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"1809-20-7"	"DTXSID7061988"	"Phosphonic acid, bis(1-methylethyl) ester"	"EPA_DSSTox"	"CC(C)OP(=O)OC(C)C"	"?"	"InChI=1S/C6H15O3P/c1-5(2)8-10(7)9-6(3)4/h5-6,10H,1-4H3"	"BLKXLEPPVDUHBY-UHFFFAOYSA-N"	FALSE	FALSE	1700	3	4
"18109-81-4"	"DTXSID0046270"	"Butamirate citrate"	"EPA_DSSTox"	"CCC(C(=O)OCCOCCN(CC)CC)C1C=CC=CC=1"	"C(C(O)=O)(CC(O)=O)(O)CC(=O)O"	"InChI=1S/C18H29NO3/c1-4-17(16-10-8-7-9-11-16)18(20)22-15-14-21-13-12-19(5-2)6-3/h7-11,17H,4-6,12-15H2,1-3H3"	"DDVUMDPCZWBYRA-UHFFFAOYSA-N"	FALSE	TRUE	4164	3	5
"1812-30-2"	"DTXSID40171081"	"Bromazepam"	"EPA_DSSTox"	"O=C1CN=C(C2C=CC=CN=2)C2C=C(Br)C=CC=2N1"	"?"	"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"	FALSE	FALSE	1950	3	4
"18127-01-0"	"DTXSID6044808"	"3-(4-tert-Butylphenyl)propanal"	"EPA_DSSTox"	"CC(C)(C)C1=CC=C(CCC=O)C=C1"	"?"	"InChI=1S/C13H18O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h6-10H,4-5H2,1-3H3"	"FZJUFJKVIYFBSY-UHFFFAOYSA-N"	FALSE	TRUE	2700	3	5
"181274-17-9"	"DTXSID3034614"	"Flucarbazone-sodium"	"EPA_DSSTox"	"CN1C(=NN(C1=O)C(=O)NS(=O)(=O)C1C=CC=CC=1OC(F)(F)F)OC"	"[Na+]"	"InChI=1S/C12H11F3N4O6S/c1-18-10(24-2)16-19(11(18)21)9(20)17-26(22,23)8-6-4-3-5-7(8)25-12(13,14)15/h3-6H,1-2H3,(H,17,20)"	"GINFBXXYGUODAT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"181587-01-9"	"DTXSID6058003"	"Ethiprole"	"EPA_DSSTox"	"CCS(=O)C1=C(N)N(N=C1C#N)C1C(Cl)=CC(=CC=1Cl)C(F)(F)F"	"?"	"InChI=1S/C13H9Cl2F3N4OS/c1-2-24(23)11-9(5-19)21-22(12(11)20)10-7(14)3-6(4-8(10)15)13(16,17)18/h3-4H,2,20H2,1H3"	"FNELVJVBIYMIMC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"18169-57-8"	"DTXSID0066329"	"Silane, trichloro(2-methylpropyl)-"	"EPA_DSSTox"	"CC(C)C[Si](Cl)(Cl)Cl"	"?"	"InChI=1S/C4H9Cl3Si/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3"	"GBXOGFTVYQSOID-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"1817-73-8"	"DTXSID4024646"	"2-Bromo-4,6-dinitroaniline"	"EPA_DSSTox"	"NC1C(Br)=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C6H4BrN3O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H,8H2"	"KWMDHCLJYMVBNS-UHFFFAOYSA-N"	FALSE	TRUE	4100	3	5
"18171-19-2"	NA	NA	"Public_CrossChecked"	"C[Si](CCCCl)(OC)OC"	"?"	"InChI=1S/C6H15ClO2Si/c1-8-10(3,9-2)6-4-5-7/h4-6H2,1-3H3"	"KNTKCYKJRSMRMZ-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	NA
"18172-33-3"	"DTXSID00891798"	"Cyclopiazonic acid"	"EPA_DSSTox"	"CC(=O)C1C(=O)N2C(C3C(CC4=CC=CC5NC=C3C=54)C2(C)C)C=1O"	"?"	"InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,24H,7H2,1-3H3"	"SZINUGQCTHLQAZ-UHFFFAOYSA-N"	TRUE	FALSE	36	1	2
"18179-67-4"	"DTXSID40171187"	"Sulfamethoxydiazine sodium"	"EPA_DSSTox"	"COC1=CN=C(NS(=O)(=O)C2C=CC(N)=CC=2)N=C1"	"[Na+]"	"InChI=1S/C11H12N4O3S/c1-18-9-6-13-11(14-7-9)15-19(16,17)10-4-2-8(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)"	"GPTONYMQFTZPKC-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"18181-70-9"	"DTXSID8040278"	"Iodenphos"	"EPA_DSSTox"	"COP(=S)(OC1=CC(Cl)=C(I)C=C1Cl)OC"	"?"	"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"	FALSE	TRUE	2330	3	5
"18188-17-5"	NA	NA	"Public_CrossChecked"	"COCC(C=C)C1C=CC=CC=1OC(=O)NC"	"?"	"InChI=1S/C13H17NO3/c1-4-10(9-16-3)11-7-5-6-8-12(11)17-13(15)14-2/h4-8,10H,1,9H2,2-3H3,(H,14,15)"	"DHGJHURZBNKHAO-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"1820-50-4"	"DTXSID20883756"	"2,4-Dioxaspiro[5.5]undec-8-ene, 3-(3-cyclohexen-1-yl)-"	"EPA_DSSTox"	"C1C=CCCC1C1OCC2(CC=CCC2)CO1"	"?"	"InChI=1S/C15H22O2/c1-3-7-13(8-4-1)14-16-11-15(12-17-14)9-5-2-6-10-15/h1-3,5,13-14H,4,6-12H2"	"GGKXOBDOBZUKPG-UHFFFAOYSA-N"	FALSE	TRUE	5190	4	5
"18225-94-0"	"DTXSID30171272"	"Benzimidazole, 5-fluoro-4,6,7-trichloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC1C(Cl)=C2NC(=NC2=C(Cl)C=1Cl)C(F)(F)F"	"?"	"InChI=1S/C8HCl3F4N2/c9-1-2(10)5-6(3(11)4(1)12)17-7(16-5)8(13,14)15/h(H,16,17)"	"NJSKGSOZKZRINK-UHFFFAOYSA-N"	TRUE	FALSE	2.386	1	1
"182349-12-8"	NA	NA	"Public_CrossChecked"	"CC1=CN=CC(CN2CCC(CC2)=C2C3=NC=CC=C3CCC3C=C(Cl)C=CC=32)=C1"	"C(=C/C(=O)O)\C(=O)O"	"InChI=1S/C26H26ClN3/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3"	"WUZYKBABMWJHDL-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"1824-50-6"	"DTXSID1045114"	"Benzylhydrochlorothiazide"	"EPA_DSSTox"	"NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(CC1=CC=CC=C1)NS2(=O)=O"	"?"	"InChI=1S/C14H14ClN3O4S2/c15-10-7-11-13(8-12(10)23(16,19)20)24(21,22)18-14(17-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,17-18H,6H2,(H2,16,19,20)"	"BWSSMIJUDVUASQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1824-58-4"	"DTXSID1046215"	"Ethiazide"	"EPA_DSSTox"	"CCC1NS(=O)(=O)C2C=C(C(Cl)=CC=2N1)S(N)(=O)=O"	"?"	"InChI=1S/C9H12ClN3O4S2/c1-2-9-12-6-3-5(10)7(18(11,14)15)4-8(6)19(16,17)13-9/h3-4,9,12-13H,2H2,1H3,(H2,11,14,15)"	"VXLCNTLWWUDBSO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1824-81-3"	"DTXSID0044860"	"6-Methylpyridin-2-amine"	"EPA_DSSTox"	"CC1C=CC=C(N)N=1"	"?"	"InChI=1S/C6H8N2/c1-5-3-2-4-6(7)8-5/h2-4H,1H3,(H2,7,8)"	"QUXLCYFNVNNRBE-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"1825-58-7"	"DTXSID0062000"	"Silane, ethoxydimethylphenyl-"	"EPA_DSSTox"	"CCO[Si](C)(C)C1C=CC=CC=1"	"?"	"InChI=1S/C10H16OSi/c1-4-11-12(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3"	"FIHCECZPYHVEJO-UHFFFAOYSA-N"	FALSE	TRUE	2460	3	5
"18262-71-0"	NA	NA	"Public_CrossChecked"	"C1CCCC(N1)C1C=NC=CC=1"	"OS(=O)(=O)O"	"InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2"	"MTXSIJUGVMTTMU-UHFFFAOYSA-N"	FALSE	FALSE	210	2	3
"18268-70-7"	"DTXSID8027797"	"Tetraethylene glycol di(2-ethylhexanoate)"	"EPA_DSSTox"	"CCCCC(CC)C(=O)OCCOCCOCCOCCOC(=O)C(CCCC)CC"	"?"	"InChI=1S/C24H46O7/c1-5-9-11-21(7-3)23(25)30-19-17-28-15-13-27-14-16-29-18-20-31-24(26)22(8-4)12-10-6-2/h21-22H,5-20H2,1-4H3"	"GYHPTPQZVBYHLC-UHFFFAOYSA-N"	FALSE	TRUE	18000	4	5
"18278-44-9"	NA	NA	"Public_CrossChecked"	"CNC(=O)CSP(C)(=S)OC"	"?"	"InChI=1S/C5H12NO2PS2/c1-6-5(7)4-11-9(3,10)8-2/h4H2,1-3H3,(H,6,7)"	"YZQOKAIBYOGDHG-UHFFFAOYSA-N"	TRUE	FALSE	10	1	2
"1830-54-2"	"DTXSID5062007"	"Pentanedioic acid, 3-oxo-, dimethyl ester"	"EPA_DSSTox"	"COC(=O)CC(=O)CC(=O)OC"	"?"	"InChI=1S/C7H10O5/c1-11-6(9)3-5(8)4-7(10)12-2/h3-4H2,1-2H3"	"RNJOKCPFLQMDEC-UHFFFAOYSA-N"	FALSE	TRUE	4476	3	5
"18300-07-7"	NA	NA	"Public_CrossChecked"	"COP(=S)(CC)SCSCSP(=S)(CC)OC"	"?"	"InChI=1S/C8H20O2P2S5/c1-5-11(13,9-3)16-7-15-8-17-12(14,6-2)10-4/h5-8H2,1-4H3"	"IPDFCGAQJIOBPK-UHFFFAOYSA-N"	TRUE	FALSE	3.9	1	1
"18300-10-2"	NA	NA	"Public_CrossChecked"	"CCP(=S)(OCC)SCSCSP(=S)(CC)OCC"	"?"	"InChI=1S/C10H24O2P2S5/c1-5-11-13(15,7-3)18-9-17-10-19-14(16,8-4)12-6-2/h5-10H2,1-4H3"	"WYAIZMVWGQDHAX-UHFFFAOYSA-N"	TRUE	FALSE	2.3	1	1
"18318-83-7"	"DTXSID90885025"	"2-Hexene, 1,1-dimethoxy-, (2E)-"	"EPA_DSSTox"	"CCCC=CC(OC)OC"	"?"	"InChI=1S/C8H16O2/c1-4-5-6-7-8(9-2)10-3/h6-8H,4-5H2,1-3H3"	"OSVRJMZINDGZFB-UHFFFAOYSA-N"	FALSE	FALSE	1700	3	4
"183208-35-7"	"DTXSID70437889"	"5-Bromo-7-azaindole"	"EPA_DSSTox"	"BrC1=CC2C=CNC=2N=C1"	"?"	"InChI=1S/C7H5BrN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-4H,(H,9,10)"	"LPTVWZSQAIDCEB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"18323-44-9"	"DTXSID2022836"	"Clindamycin"	"EPA_DSSTox"	"CC(Cl)C(NC(=O)C1CC(CCC)CN1C)C1OC(SC)C(O)C(O)C1O"	"?"	"InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)"	"KDLRVYVGXIQJDK-UHFFFAOYSA-N"	FALSE	TRUE	2619	3	5
"18355-25-4"	"DTXSID30171434"	"1-Trichloroacetyl-3-phenylsulfonylurea"	"EPA_DSSTox"	"O=C(NC(=O)C(Cl)(Cl)Cl)NS(=O)(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C9H7Cl3N2O4S/c10-9(11,12)7(15)13-8(16)14-19(17,18)6-4-2-1-3-5-6/h1-5H,(H2,13,14,15,16)"	"QKCCAZCOKNGFCB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1836-75-5"	"DTXSID7020970"	"Nitrofen"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC(=CC=1)OC1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H"	"XITQUSLLOSKDTB-UHFFFAOYSA-N"	FALSE	TRUE	2412	3	5
"1836-77-7"	"DTXSID0041775"	"Chlornitrofen"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC(=CC=1)OC1C(Cl)=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C12H6Cl3NO3/c13-7-5-10(14)12(11(15)6-7)19-9-3-1-8(2-4-9)16(17)18/h1-6H"	"XQNAUQUKWRBODG-UHFFFAOYSA-N"	FALSE	TRUE	10800	4	5
"18370-87-1"	"DTXSID20171468"	"Ether, 2-(ethylthio)ethyl vinyl"	"EPA_DSSTox"	"CCSCCOC=C"	"?"	"InChI=1S/C6H12OS/c1-3-7-5-6-8-4-2/h3H,1,4-6H2,2H3"	"JBYKCFLLZLHPIR-UHFFFAOYSA-N"	FALSE	TRUE	4920	3	5
"18379-25-4"	"DTXSID5044861"	"Trichloro(2,4,4-trimethylpentyl)silane"	"EPA_DSSTox"	"CC(CC(C)(C)C)C[Si](Cl)(Cl)Cl"	"?"	"InChI=1S/C8H17Cl3Si/c1-7(5-8(2,3)4)6-12(9,10)11/h7H,5-6H2,1-4H3"	"XEPLIPFTDXHUHB-UHFFFAOYSA-N"	NA	FALSE	NA	NA	NA
"1838-59-1"	"DTXSID4062016"	"Formic acid, 2-propenyl ester"	"EPA_DSSTox"	"C=CCOC=O"	"?"	"InChI=1S/C4H6O2/c1-2-3-6-4-5/h2,4H,1,3H2"	"ZHHZHHSFKCANOC-UHFFFAOYSA-N"	FALSE	FALSE	124	2	3
"1843-05-6"	"DTXSID9027441"	"Octabenzone"	"EPA_DSSTox"	"CCCCCCCCOC1=CC(O)=C(C=C1)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C21H26O3/c1-2-3-4-5-6-10-15-24-18-13-14-19(20(22)16-18)21(23)17-11-8-7-9-12-17/h7-9,11-14,16,22H,2-6,10,15H2,1H3"	"QUAMTGJKVDWJEQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1845-38-1"	NA	NA	"Public_CrossChecked"	"CC1CC(CC(C)(C)C1)C=O"	"?"	"InChI=1S/C10H18O/c1-8-4-9(7-11)6-10(2,3)5-8/h7-9H,4-6H2,1-3H3"	"XOKRGEQPFOCUDY-UHFFFAOYSA-N"	FALSE	TRUE	4140	3	5
"1847-24-1"	"DTXSID6045115"	"Floxacillin sodium salt"	"EPA_DSSTox"	"CC1ON=C(C=1C(=O)NC1C2SC(C)(C)C(C(O)=O)N2C1=O)C1C(F)=CC=CC=1Cl"	"[Na+]"	"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"	FALSE	TRUE	11000	4	5
"1847-58-1"	"DTXSID4027442"	"Acetic acid, sulfo-, 1-dodecyl ester, sodium salt"	"EPA_DSSTox"	"CCCCCCCCCCCCOC(=O)CS(O)(=O)=O"	"[Na+]"	"InChI=1S/C14H28O5S/c1-2-3-4-5-6-7-8-9-10-11-12-19-14(15)13-20(16,17)18/h2-13H2,1H3,(H,16,17,18)"	"LBIZZGIYNNLXQN-UHFFFAOYSA-N"	FALSE	FALSE	700	3	4
"1847-63-8"	"DTXSID30171651"	"Nafoxidine hydrochloride"	"EPA_DSSTox"	"COC1=CC2CCC(=C(C3=CC=C(C=C3)OCCN3CCCC3)C=2C=C1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C29H31NO2/c1-31-26-14-16-28-24(21-26)11-15-27(22-7-3-2-4-8-22)29(28)23-9-12-25(13-10-23)32-20-19-30-17-5-6-18-30/h2-4,7-10,12-14,16,21H,5-6,11,15,17-20H2,1H3"	"JEYWNNAZDLFBFF-UHFFFAOYSA-N"	FALSE	FALSE	302	2	4
"18470-08-1"	"DTXSID50171653"	"Phosphorothioic acid, O,O-dimethyl O-p-menth-8-en-1-yl ester"	"EPA_DSSTox"	"CC(=C)C1CCC(C)(CC1)OP(=S)(OC)OC"	"?"	"InChI=1S/C12H23O3PS/c1-10(2)11-6-8-12(3,9-7-11)15-16(17,13-4)14-5/h11H,1,6-9H2,2-5H3"	"HAFWUYTXWSLXRE-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"18470-09-2"	NA	NA	"Public_CrossChecked"	"CC(C)C1CCC(C)CC1OP(=S)(OC)OC"	"?"	"InChI=1S/C12H25O3PS/c1-9(2)11-7-6-10(3)8-12(11)15-16(17,13-4)14-5/h9-12H,6-8H2,1-5H3"	"XBNXMZGGZRCJQS-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"18470-10-5"	NA	NA	"Public_CrossChecked"	"CC1(C)C(OP(=S)(OC)OC)C2(C)CC1CC2"	"?"	"InChI=1S/C12H23O3PS/c1-11(2)9-6-7-12(3,8-9)10(11)15-16(17,13-4)14-5/h9-10H,6-8H2,1-5H3"	"NVBALASSUPWCIF-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"18479-58-8"	"DTXSID8029317"	"1,1,5-Trimethyl-6-heptenol"	"EPA_DSSTox"	"CC(CCCC(C)(C)O)C=C"	"?"	"InChI=1S/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3"	"XSNQECSCDATQEL-UHFFFAOYSA-N"	FALSE	TRUE	3600	3	5
"1850-15-3"	"DTXSID30171696"	"Benzoic acid, thio-, anhydrosulfide"	"EPA_DSSTox"	"O=C(SC(=O)C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C14H10O2S/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h1-10H"	"KIHBJERLDDVXHD-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"18504-81-9"	"DTXSID60171705"	"Abbott 29590"	"EPA_DSSTox"	"O=C1CSC2N=CC=CC=2N1"	"?"	"InChI=1S/C7H6N2OS/c10-6-4-11-7-5(9-6)2-1-3-8-7/h1-3H,4H2,(H,9,10)"	"BOASKSPVGGTZKJ-UHFFFAOYSA-N"	FALSE	FALSE	1050	3	4
"1851-71-4"	"DTXSID50171714"	"Formic acid, tetrathiobis(thio-, O,O-diethyl ester"	"EPA_DSSTox"	"CCOC(=S)SSSSC(=S)OCC"	"?"	"InChI=1S/C6H10O2S6/c1-3-7-5(9)11-13-14-12-6(10)8-4-2/h3-4H2,1-2H3"	"AEQAMCGEBHCRLA-UHFFFAOYSA-N"	FALSE	FALSE	275	2	3
"1851-77-0"	"DTXSID70171716"	"Bisethylxanthate trisulfide"	"EPA_DSSTox"	"CCOC(=S)SSSC(=S)OCC"	"?"	"InChI=1S/C6H10O2S5/c1-3-7-5(9)11-13-12-6(10)8-4-2/h3-4H2,1-2H3"	"XXYGYFJCOAIEEK-UHFFFAOYSA-N"	FALSE	FALSE	235	2	3
"185119-76-0"	"DTXSID1043968"	"Iodosulfuron-methyl"	"EPA_DSSTox"	"CC1N=C(NC(=O)NS(=O)(=O)C2C=C(I)C=CC=2C(=O)OC)N=C(N=1)OC"	"?"	"InChI=1S/C14H14IN5O6S/c1-7-16-12(19-14(17-7)26-3)18-13(22)20-27(23,24)10-6-8(15)4-5-9(10)11(21)25-2/h4-6H,1-3H3,(H2,16,17,18,19,20,22)"	"VWGAYSCWLXQJBQ-UHFFFAOYSA-N"	FALSE	TRUE	2678	3	5
"18516-18-2"	"DTXSID4066381"	"Propanal, 3-hydroxy-2-(hydroxymethyl)-2-methyl-"	"EPA_DSSTox"	"CC(CO)(CO)C=O"	"?"	"InChI=1S/C5H10O3/c1-5(2-6,3-7)4-8/h2,7-8H,3-4H2,1H3"	"CBIFNLUPCWCNQT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1852-16-0"	"DTXSID9027443"	"N-(Butoxymethyl)acrylamide"	"EPA_DSSTox"	"CCCCOCNC(=O)C=C"	"?"	"InChI=1S/C8H15NO2/c1-3-5-6-11-7-9-8(10)4-2/h4H,2-3,5-7H2,1H3,(H,9,10)"	"UTSYWKJYFPPRAP-UHFFFAOYSA-N"	FALSE	FALSE	1030	3	4
"18527-35-0"	"DTXSID40171763"	"1H-Tetrazole, 5-(((m-chlorophenyl)thio)methyl)-"	"EPA_DSSTox"	"ClC1=CC(=CC=C1)SCC1=NNN=N1"	"?"	"InChI=1S/C8H7ClN4S/c9-6-2-1-3-7(4-6)14-5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13)"	"QXHAUJZTOFQRPP-UHFFFAOYSA-N"	FALSE	TRUE	2200	3	5
"18559-59-6"	"DTXSID1048756"	"Trimethoquinol"	"EPA_DSSTox"	"COC1C=C(CC2NCCC3=CC(O)=C(O)C=C32)C=C(OC)C=1OC"	"Cl"	"InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3"	"RGVPOXRFEPSFGH-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"18559-60-9"	NA	NA	"Public_CrossChecked"	"COC1C(=CC(CC2NCCC3C=C(O)C(O)=CC=32)=CC=1OC)OC"	"Cl"	"InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3"	"RGVPOXRFEPSFGH-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"18559-63-2"	NA	NA	"Public_CrossChecked"	"COC1C(=CC(CC2NCCC3C=C(O)C(O)=CC=32)=CC=1OC)OC"	"?"	"InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3"	"RGVPOXRFEPSFGH-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"18559-94-9"	"DTXSID5021255"	"Albuterol"	"EPA_DSSTox"	"CC(C)(C)NCC(O)C1C=C(CO)C(O)=CC=1"	"?"	"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"	FALSE	FALSE	660	3	4
"18591-81-6"	"DTXSID30171813"	"3-Amino-4-mercapto-6-methylpyridazine"	"EPA_DSSTox"	"CC1=CC(=S)C(N)=NN1"	"?"	"InChI=1S/C5H7N3S/c1-3-2-4(9)5(6)8-7-3/h2H,1H3,(H2,6,8)(H,7,9)"	"JTHLLGLZDYRCRX-UHFFFAOYSA-N"	FALSE	FALSE	1975	3	4
"18596-51-5"	NA	NA	"Public_CrossChecked"	"CCP(=S)(OCC)SCOC1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C11H15Cl2O2PS2/c1-3-15-16(17,4-2)18-8-14-11-6-5-9(12)7-10(11)13/h5-7H,3-4,8H2,1-2H3"	"ANDKQEZSSZZOHA-UHFFFAOYSA-N"	FALSE	FALSE	112	2	3
"18596-67-3"	NA	NA	"Public_CrossChecked"	"CCCOP(=S)(CC)SCOC1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C12H17Cl2O2PS2/c1-3-7-16-17(18,4-2)19-9-15-12-6-5-10(13)8-11(12)14/h5-6,8H,3-4,7,9H2,1-2H3"	"GQIMPJUQDSPLPN-UHFFFAOYSA-N"	FALSE	FALSE	79	2	3
"1861-40-1"	"DTXSID3023899"	"Benfluralin"	"EPA_DSSTox"	"CCCCN(CC)C1C(=CC(=CC=1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O"	"?"	"InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3"	"SMDHCQAYESWHAE-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"18636-88-9"	"DTXSID00171885"	"Benzo(a)phenazine, 7,12-dioxide"	"EPA_DSSTox"	"ON1C2C=CC=CC=2[N+](=O)C2C3C=CC=CC=3C=CC1=2"	"?"	"InChI=1S/C16H11N2O2/c19-17-13-7-3-4-8-14(13)18(20)16-12-6-2-1-5-11(12)9-10-15(16)17/h1-10,19H/q+1"	"QZSCIABUWORCNT-UHFFFAOYSA-N"	FALSE	TRUE	4617	3	5
"18637-00-8"	"DTXSID00486481"	"2-Ethoxybenzamidine hydrochloride"	"EPA_DSSTox"	"[H]/N=C(\N)/C1=CC=CC=C1OCC"	"Cl"	"InChI=1S/C9H12N2O/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H3,10,11)"	"GOSDGLKRVHPJEV-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"18659-45-5"	"DTXSID10171917"	"Carbamic acid, methyl-, 6-(dimethylamino)thymyl ester"	"EPA_DSSTox"	"CC1C=CC(C(C)C)=C(OC(=O)NC)C=1N(C)C"	"?"	"InChI=1S/C14H22N2O2/c1-9(2)11-8-7-10(3)12(16(5)6)13(11)18-14(17)15-4/h7-9H,1-6H3,(H,15,17)"	"BVSKMTSQXJSFKQ-UHFFFAOYSA-N"	FALSE	FALSE	67	2	3
"1866-31-5"	"DTXSID8047509"	"Allyl cinnamate"	"EPA_DSSTox"	"C=CCOC(=O)C=CC1C=CC=CC=1"	"?"	"InChI=1S/C12H12O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2-9H,1,10H2"	"KCMITHMNVLRGJU-UHFFFAOYSA-N"	FALSE	FALSE	1520	3	4
"1867-66-9"	"DTXSID4040137"	"Ketamine hydrochloride"	"EPA_DSSTox"	"CNC1(CCCCC1=O)C1C=CC=CC=1Cl"	"Cl"	"InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3"	"YQEZLKZALYSWHR-UHFFFAOYSA-N"	FALSE	FALSE	447	2	4
"186817-80-1"	"DTXSID9042334"	"Propanoic acid, 2-hydroxy-, 2-ethylhexyl ester, (2S)-"	"EPA_DSSTox"	"CC(O)C(=O)OCC(CCCC)CC"	"?"	"InChI=1S/C11H22O3/c1-4-6-7-10(5-2)8-14-11(13)9(3)12/h9-10,12H,4-8H2,1-3H3"	"FECDACOUYKFOOP-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"18683-91-5"	"DTXSID8022583"	"Ambroxol"	"EPA_DSSTox"	"NC1C(CNC2CCC(O)CC2)=CC(Br)=CC=1Br"	"?"	"InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2"	"JBDGDEWWOUBZPM-UHFFFAOYSA-N"	FALSE	TRUE	13400	4	5
"18694-40-1"	"DTXSID4045422"	"Epirizole"	"EPA_DSSTox"	"COC1=CC(C)=NN1C1=NC(=CC(C)=N1)OC"	"?"	"InChI=1S/C11H14N4O2/c1-7-5-9(16-3)13-11(12-7)15-10(17-4)6-8(2)14-15/h5-6H,1-4H3"	"RHAXSHUQNIEUEY-UHFFFAOYSA-N"	FALSE	FALSE	445	2	4
"18705-22-1"	NA	NA	"Public_CrossChecked"	"CCCOP(=O)(OCC#C)C1C=CC=CC=1"	"?"	"InChI=1S/C12H15O3P/c1-3-10-14-16(13,15-11-4-2)12-8-6-5-7-9-12/h1,5-9H,4,10-11H2,2H3"	"YSVDXOJUVQMPCX-UHFFFAOYSA-N"	FALSE	FALSE	362	2	4
"18722-80-0"	"DTXSID30171994"	"Phosphorodithioic acid, O,O-dimethyl S-((phenylthio)-methyl) ester"	"EPA_DSSTox"	"COP(=S)(OC)SCSC1C=CC=CC=1"	"?"	"InChI=1S/C9H13O2PS3/c1-10-12(13,11-2)15-8-14-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3"	"REKAQZOUNOBYJX-UHFFFAOYSA-N"	TRUE	FALSE	16	1	2
"18727-04-3"	NA	NA	"Public_CrossChecked"	"OC(=O)C(O)(CC(O)=O)CC(O)=O"	"[Co+2]"	"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)"	"KRKNYBCHXYNGOX-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"1874-54-0"	"DTXSID80172052"	"Psicofuranine"	"EPA_DSSTox"	"NC1=NC=NC2=C1N=CN2C1(CO)OC(CO)C(O)C1O"	"?"	"InChI=1S/C11H15N5O5/c12-9-6-10(14-3-13-9)16(4-15-6)11(2-18)8(20)7(19)5(1-17)21-11/h3-5,7-8,17-20H,1-2H2,(H2,12,13,14)"	"BNZYRKVSCLSXSJ-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"18750-05-5"	NA	NA	"Public_CrossChecked"	"CCC(COC(=O)C1C=CC=CC=1C(=O)OCC1C=CC=CC=1)CCCC"	"?"	"InChI=1S/C23H28O4/c1-3-5-11-18(4-2)16-26-22(24)20-14-9-10-15-21(20)23(25)27-17-19-12-7-6-8-13-19/h6-10,12-15,18H,3-5,11,16-17H2,1-2H3"	"RVBLXUAPXWEIPM-UHFFFAOYSA-N"	FALSE	TRUE	60000	4	5
"18771-38-5"	"DTXSID3073420"	"Propanedinitrile, [bis(ethylthio)methylene]-"	"EPA_DSSTox"	"CCSC(SCC)=C(C#N)C#N"	"?"	"InChI=1S/C8H10N2S2/c1-3-11-8(12-4-2)7(5-9)6-10/h3-4H2,1-2H3"	"FJQWUIXBQMGVPS-UHFFFAOYSA-N"	FALSE	FALSE	780	3	4
"18773-63-2"	"DTXSID00172079"	"2-Biphenylcarboxylic acid, 2'-hydroxymethyl-"	"EPA_DSSTox"	"OC(=O)C1C=CC=CC=1C1C=CC=CC=1CO"	"?"	"InChI=1S/C14H12O3/c15-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14(16)17/h1-8,15H,9H2,(H,16,17)"	"SPNSKYPCPQHXRA-UHFFFAOYSA-N"	FALSE	TRUE	6500	4	5
"18787-40-1"	"DTXSID50172100"	"Nioben"	"EPA_DSSTox"	"CCCCCCCCC1=CC=C(C=C1)C(=O)CCN1CCCCC1"	"Cl"	"InChI=1S/C22H35NO/c1-2-3-4-5-6-8-11-20-12-14-21(15-13-20)22(24)16-19-23-17-9-7-10-18-23/h12-15H,2-11,16-19H2,1H3"	"ODUILFNOMMYWTO-UHFFFAOYSA-N"	FALSE	FALSE	417	2	4
"1879-09-0"	"DTXSID6041551"	"6-tert-Butyl-2,4-dimethylphenol"	"EPA_DSSTox"	"CC1C=C(C(O)=C(C)C=1)C(C)(C)C"	"?"	"InChI=1S/C12H18O/c1-8-6-9(2)11(13)10(7-8)12(3,4)5/h6-7,13H,1-5H3"	"OPLCSTZDXXUYDU-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	NA
"18791-02-1"	NA	NA	"Public_CrossChecked"	"O=C(Cl)C(Br)CBr"	"?"	"InChI=1S/C3H3Br2ClO/c4-1-2(5)3(6)7/h2H,1H2"	"HWKWYDXHMQQDQJ-UHFFFAOYSA-N"	FALSE	FALSE	1200	3	4
"18794-84-8"	"DTXSID9047049"	"trans-beta-Farnesene"	"EPA_DSSTox"	"CC(C)=CCCC(C)=CCCC(=C)C=C"	"?"	"InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3"	"JSNRRGGBADWTMC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"18818-61-6"	NA	NA	"Public_CrossChecked"	"OC1C(=O)N=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2N1CC1CC1"	"?"	"InChI=1S/C19H17ClN2O2/c20-14-8-9-16-15(10-14)17(13-4-2-1-3-5-13)21-18(23)19(24)22(16)11-12-6-7-12/h1-5,8-10,12,19,24H,6-7,11H2"	"ZYMYSXUUFYCFDX-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"18829-55-5"	"DTXSID30880832"	"2-heptenal, (e)-"	"EPA_DSSTox"	"CCCCC=CC=O"	"?"	"InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3"	"NDFKTBCGKNOHPJ-UHFFFAOYSA-N"	FALSE	FALSE	1300	3	4
"188416-20-8"	"DTXSID70677465"	"3-(6-Chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol--hydrogen chloride (1/1)"	"EPA_DSSTox"	"CC(C1=NC=NC(Cl)=C1F)C(O)(CN1C=NC=N1)C1=CC=C(F)C=C1F"	"Cl"	"InChI=1S/C16H13ClF3N5O/c1-9(14-13(20)15(17)23-7-22-14)16(26,5-25-8-21-6-24-25)11-3-2-10(18)4-12(11)19/h2-4,6-9,26H,5H2,1H3"	"BQDLXFABVRRDFU-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"188425-85-6"	"DTXSID6034392"	"Boscalid"	"EPA_DSSTox"	"O=C(NC1C=CC=CC=1C1C=CC(Cl)=CC=1)C1C=CC=NC=1Cl"	"?"	"InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)"	"WYEMLYFITZORAB-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1885-95-6"	"DTXSID5075155"	"Phosphorothioic acid, S-(2,2-dichlorovinyl) O,O-diethyl ester"	"EPA_DSSTox"	"CCOP(=O)(OCC)SC=C(Cl)Cl"	"?"	"InChI=1S/C6H11Cl2O3PS/c1-3-10-12(9,11-4-2)13-5-6(7)8/h5H,3-4H2,1-2H3"	"CYPWSYXRJOGOBW-UHFFFAOYSA-N"	TRUE	FALSE	1.75	1	1
"1885-98-9"	NA	NA	"Public_CrossChecked"	"CCOP(=O)(OCC)SC(Cl)C(Cl)Cl"	"?"	"InChI=1S/C6H12Cl3O3PS/c1-3-11-13(10,12-4-2)14-6(9)5(7)8/h5-6H,3-4H2,1-2H3"	"HGDGWEKDDGPTFH-UHFFFAOYSA-N"	TRUE	FALSE	2.5	1	1
"18854-01-8"	"DTXSID0042080"	"Isoxathion"	"EPA_DSSTox"	"CCOP(=S)(OC1C=C(ON=1)C1C=CC=CC=1)OCC"	"?"	"InChI=1S/C13H16NO4PS/c1-3-15-19(20,16-4-2)18-13-10-12(17-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3"	"SDMSCIWHRZJSRN-UHFFFAOYSA-N"	FALSE	FALSE	112	2	3
"1886-01-7"	"DTXSID00172231"	"ENT 27272"	"EPA_DSSTox"	"COP(=O)(OC)SCC(Cl)(Cl)Cl"	"?"	"InChI=1S/C4H8Cl3O3PS/c1-9-11(8,10-2)12-3-4(5,6)7/h3H2,1-2H3"	"GNKLHIRYOZCFMO-UHFFFAOYSA-N"	FALSE	FALSE	150	2	3
"18869-73-3"	"DTXSID2066434"	"2H-Indol-2-one, 1-acetyl-3,3-bis[4-(acetyloxy)phenyl]-1,3-dihydro-"	"EPA_DSSTox"	"CC(=O)N1C2C=CC=CC=2C(C2C=CC(=CC=2)OC(C)=O)(C2C=CC(=CC=2)OC(C)=O)C1=O"	"?"	"InChI=1S/C26H21NO6/c1-16(28)27-24-7-5-4-6-23(24)26(25(27)31,19-8-12-21(13-9-19)32-17(2)29)20-10-14-22(15-11-20)33-18(3)30/h4-15H,1-3H3"	"JPGUEMQIAGJQSJ-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"18871-14-2"	"DTXSID7044556"	"3-O-Acetyl-1,5-anhydro-2,4-dideoxy-2-pentylpentitol"	"EPA_DSSTox"	"CCCCCC1COCCC1OC(C)=O"	"?"	"InChI=1S/C12H22O3/c1-3-4-5-6-11-9-14-8-7-12(11)15-10(2)13/h11-12H,3-9H2,1-2H3"	"VSRVCSJJKWDZSH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1888-94-4"	"DTXSID6062042"	"2-Chloroethyl methacrylate"	"EPA_DSSTox"	"CC(=C)C(=O)OCCCl"	"?"	"InChI=1S/C6H9ClO2/c1-5(2)6(8)9-4-3-7/h1,3-4H2,2H3"	"GPOGMJLHWQHEGF-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"18886-42-5"	NA	NA	"Public_CrossChecked"	"CN1CC(CC1)C(CC)(OC(=O)CC)C1C=CC=CC=1"	"C(=C/C(=O)O)\C(=O)O"	"InChI=1S/C17H25NO2/c1-4-16(19)20-17(5-2,14-9-7-6-8-10-14)15-11-12-18(3)13-15/h6-10,15H,4-5,11-13H2,1-3H3"	"GVNNTSYXCWHSKN-UHFFFAOYSA-N"	FALSE	FALSE	460	2	4
"1889-67-4"	"DTXSID1062043"	"2,3-Dimethyl-2,3-diphenylbutane"	"EPA_DSSTox"	"CC(C)(C1C=CC=CC=1)C(C)(C)C1C=CC=CC=1"	"?"	"InChI=1S/C18H22/c1-17(2,15-11-7-5-8-12-15)18(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3"	"HGTUJZTUQFXBIH-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"1890-47-7"	NA	NA	"Public_CrossChecked"	"FC1(F)CC(C2CC3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl)C1(F)F"	"?"	"InChI=1S/C11H6Cl6F4/c12-5-6(13)9(15)3(1-7(5,14)11(9,16)17)4-2-8(18,19)10(4,20)21/h3-4H,1-2H2"	"AQMBCTVWIICIFZ-UHFFFAOYSA-N"	FALSE	FALSE	550	3	4
"18910-65-1"	NA	NA	"Public_CrossChecked"	"CC(CC1=CC=C(C=C1)OC)NCC(O)C1C=CC(O)=C(CO)C=1"	"?"	"InChI=1S/C19H25NO4/c1-13(9-14-3-6-17(24-2)7-4-14)20-11-19(23)15-5-8-18(22)16(10-15)12-21/h3-8,10,13,19-23H,9,11-12H2,1-2H3"	"VPMWDFRZSIMDKW-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"1892-29-1"	"DTXSID4044404"	"2-Hydroxyethyl disulfide"	"EPA_DSSTox"	"OCCSSCCO"	"?"	"InChI=1S/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2"	"KYNFOMQIXZUKRK-UHFFFAOYSA-N"	FALSE	FALSE	173	2	3
"1892-80-4"	"DTXSID3048869"	"Fenethylline hydrochloride"	"EPA_DSSTox"	"CC(CC1C=CC=CC=1)NCCN1C=NC2=C1C(=O)N(C)C(=O)N2C"	"Cl"	"InChI=1S/C18H23N5O2/c1-13(11-14-7-5-4-6-8-14)19-9-10-23-12-20-16-15(23)17(24)22(3)18(25)21(16)2/h4-8,12-13,19H,9-11H2,1-3H3"	"NMCHYWGKBADVMK-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"1893-33-0"	"DTXSID8048369"	"Pipamperone"	"EPA_DSSTox"	"NC(=O)C1(CCN(CCCC(=O)C2=CC=C(F)C=C2)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"	FALSE	FALSE	160	2	3
"18936-52-2"	NA	NA	"Public_CrossChecked"	"COP(=S)(OC1C=CC(Cl)=CC=1C#N)OC"	"?"	"InChI=1S/C9H9ClNO3PS/c1-12-15(16,13-2)14-9-4-3-8(10)5-7(9)6-11/h3-5H,1-2H3"	"LNGDRCGNQRERED-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"18952-79-9"	"DTXSID50172362"	"Carbamic acid, methylnitroso-, m-cumenyl ester"	"EPA_DSSTox"	"CN(N=O)C(=O)OC1=CC(=CC=C1)C(C)C"	"?"	"InChI=1S/C11H14N2O3/c1-8(2)9-5-4-6-10(7-9)16-11(14)13(3)12-15/h4-8H,1-3H3"	"AJHKCJXLTDAPCQ-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"18964-31-3"	"DTXSID20172374"	"4-Cyclopentene-1,3-dione, 4,5-dichloro-2-(dichloromethylene)-"	"EPA_DSSTox"	"O=C1C(=C(Cl)Cl)C(=O)C(Cl)=C1Cl"	"?"	"InChI=1S/C6Cl4O2/c7-2-3(8)5(12)1(4(2)11)6(9)10"	"YABWQIXQVBAMGN-UHFFFAOYSA-N"	FALSE	TRUE	2300	3	5
"1897-45-6"	"DTXSID0020319"	"Chlorothalonil"	"EPA_DSSTox"	"N#CC1C(Cl)=C(Cl)C(Cl)=C(C#N)C=1Cl"	"?"	"InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14"	"CRQQGFGUEAVUIL-UHFFFAOYSA-N"	FALSE	FALSE	242	2	3
"1897-96-7"	"DTXSID40172396"	"Lonetil M3"	"EPA_DSSTox"	"CC1=NC2C=CC=CC=2C(=O)N1C1C=CC(=CC=1)OCC"	"?"	"InChI=1S/C17H16N2O2/c1-3-21-14-10-8-13(9-11-14)19-12(2)18-16-7-5-4-6-15(16)17(19)20/h4-11H,3H2,1-2H3"	"JKWBQCHTVBSJDC-UHFFFAOYSA-N"	FALSE	TRUE	4800	3	5
"18979-65-2"	NA	NA	"Public_CrossChecked"	"CCCCCCCC1C=CC(O)=CC=1O"	"?"	"InChI=1S/C13H20O2/c1-2-3-4-5-6-7-11-8-9-12(14)10-13(11)15/h8-10,14-15H,2-7H2,1H3"	"PFPZRMUCMKVUEX-UHFFFAOYSA-N"	FALSE	FALSE	1300	3	4
"1899-36-1"	NA	NA	"Public_CrossChecked"	"CC(Cl)(CCl)C(O)=O"	"[Na+]"	"InChI=1S/C4H6Cl2O2/c1-4(6,2-5)3(7)8/h2H2,1H3,(H,7,8)"	"LRGIIZXVSULULZ-UHFFFAOYSA-N"	FALSE	TRUE	8000	4	5
"18995-99-8"	NA	NA	"Public_CrossChecked"	"CN(C)CCCCCNC1=C2C(=CC=CC2=NC2C=CC=CC=21)[N+]([O-])=O"	"Cl.Cl"	"InChI=1S/C20H24N4O2/c1-23(2)14-7-3-6-13-21-20-15-9-4-5-10-16(15)22-17-11-8-12-18(19(17)20)24(25)26/h4-5,8-12H,3,6-7,13-14H2,1-2H3,(H,21,22)"	"WYLQXVOPFMBFJQ-UHFFFAOYSA-N"	FALSE	FALSE	63.3	2	3
"1901-26-4"	"DTXSID0062050"	"3-Buten-2-one, 3-methyl-4-phenyl-"	"EPA_DSSTox"	"CC(=CC1C=CC=CC=1)C(C)=O"	"?"	"InChI=1S/C11H12O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-8H,1-2H3"	"BQJFBHBDOAIIGS-UHFFFAOYSA-N"	FALSE	TRUE	4100	3	5
"19016-29-6"	"DTXSID00172493"	"Benzimidazole, 5-(methylsulfonyl)-2-(trifluoromethyl)-"	"EPA_DSSTox"	"CS(=O)(=O)C1=CC2NC(=NC=2C=C1)C(F)(F)F"	"?"	"InChI=1S/C9H7F3N2O2S/c1-17(15,16)5-2-3-6-7(4-5)14-8(13-6)9(10,11)12/h2-4H,1H3,(H,13,14)"	"PUYGYIFHWWRBRD-UHFFFAOYSA-N"	FALSE	FALSE	69	2	3
"19035-79-1"	"DTXSID4044610"	"Potassium hexadecyl hydrogen phosphate"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCOP(O)(O)=O"	"[K+]"	"InChI=1S/C16H35O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h2-16H2,1H3,(H2,17,18,19)"	"ZUVCYFMOHFTGDM-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"19044-88-3"	"DTXSID8024238"	"Oryzalin"	"EPA_DSSTox"	"CCCN(CCC)C1C(=CC(=CC=1[N+]([O-])=O)S(N)(=O)=O)[N+]([O-])=O"	"?"	"InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)"	"UNAHYJYOSSSJHH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"19072-57-2"	NA	NA	"Public_CrossChecked"	"CC1CCCC(C)[N+]1(CC)CC"	"[Br-]"	"InChI=1S/C11H24N/c1-5-12(6-2)10(3)8-7-9-11(12)4/h10-11H,5-9H2,1-4H3/q+1"	"YWZGBJRUJMCHLS-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"19074-24-9"	"DTXSID80885079"	"Dodecanedioic acid, 1,12-bis(2-ethylhexyl) ester"	"EPA_DSSTox"	"CCCCC(COC(=O)CCCCCCCCCCC(=O)OCC(CCCC)CC)CC"	"?"	"InChI=1S/C28H54O4/c1-5-9-19-25(7-3)23-31-27(29)21-17-15-13-11-12-14-16-18-22-28(30)32-24-26(8-4)20-10-6-2/h25-26H,5-24H2,1-4H3"	"MTPSFISGWJGUGN-UHFFFAOYSA-N"	FALSE	TRUE	21500	4	5
"19077-60-2"	"DTXSID60172570"	"1-(4-Ethoxyphenyl)-1H-pyrrole-2,5-dione (9CI)"	"EPA_DSSTox"	"CCOC1C=CC(=CC=1)N1C(=O)C=CC1=O"	"?"	"InChI=1S/C12H11NO3/c1-2-16-10-5-3-9(4-6-10)13-11(14)7-8-12(13)15/h3-8H,2H2,1H3"	"HLQZPKWGAFLVHJ-UHFFFAOYSA-N"	FALSE	FALSE	630	3	4
"19089-24-8"	NA	NA	"Public_CrossChecked"	"CCCCN1CCCC1C(=O)NC1C(C)=CC(C)=CC=1C"	"?"	"InChI=1S/C18H28N2O/c1-5-6-9-20-10-7-8-16(20)18(21)19-17-14(3)11-13(2)12-15(17)4/h11-12,16H,5-10H2,1-4H3,(H,19,21)"	"VEPZOLKTNZOTTQ-UHFFFAOYSA-N"	FALSE	TRUE	13958	4	5
"19089-92-0"	"DTXSID5066455"	"2-Butenoic acid, hexyl ester"	"EPA_DSSTox"	"CC=CC(=O)OCCCCCC"	"?"	"InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h4,8H,3,5-7,9H2,1-2H3"	"MZNHUHNWGVUEAT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"19095-88-6"	NA	NA	"Public_CrossChecked"	"CC1C=C(Cl)C=CC=1OC(C)C(O)=O"	"[Na+]"	"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"	FALSE	FALSE	650	3	4
"1910-42-5"	"DTXSID7024243"	"Paraquat dichloride"	"EPA_DSSTox"	"C[N+]1C=CC(=CC=1)C1C=C[N+](C)=CC=1"	"[Cl-].[Cl-]"	"InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2"	"INFDPOAKFNIJBF-UHFFFAOYSA-N"	FALSE	FALSE	97.5	2	3
"1912-24-9"	"DTXSID9020112"	"Atrazine"	"EPA_DSSTox"	"CCNC1N=C(Cl)N=C(NC(C)C)N=1"	"?"	"InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)"	"MXWJVTOOROXGIU-UHFFFAOYSA-N"	FALSE	FALSE	1869	3	4
"1912-25-0"	"DTXSID8042056"	"Ipazine"	"EPA_DSSTox"	"CC(C)NC1=NC(=NC(Cl)=N1)N(CC)CC"	"?"	"InChI=1S/C10H18ClN5/c1-5-16(6-2)10-14-8(11)13-9(15-10)12-7(3)4/h7H,5-6H2,1-4H3,(H,12,13,14,15)"	"OWYWGLHRNBIFJP-UHFFFAOYSA-N"	FALSE	FALSE	1700	3	4
"1912-26-1"	"DTXSID2042488"	"Trietazine"	"EPA_DSSTox"	"CCNC1N=C(N=C(Cl)N=1)N(CC)CC"	"?"	"InChI=1S/C9H16ClN5/c1-4-11-8-12-7(10)13-9(14-8)15(5-2)6-3/h4-6H2,1-3H3,(H,11,12,13,14)"	"HFBWPRKWDIRYNX-UHFFFAOYSA-N"	FALSE	FALSE	594	3	4
"191217-81-9"	"DTXSID1044227"	"Pramipexole dihydrochloride monohydrate"	"EPA_DSSTox"	"CCCNC1CC2SC(N)=NC=2CC1"	"Cl.Cl.O"	"InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)"	"FASDKYOPVNHBLU-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"19130-96-2"	"DTXSID70172647"	"Duvoglustat"	"EPA_DSSTox"	"OCC1NCC(O)C(O)C1O"	"?"	"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2"	"LXBIFEVIBLOUGU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"19133-14-3"	NA	NA	"Public_CrossChecked"	"COP(=S)(OCCC)SCN1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C13H16NO4PS2/c1-3-8-18-19(20,17-2)21-9-14-12(15)10-6-4-5-7-11(10)13(14)16/h4-7H,3,8-9H2,1-2H3"	"JKAXCKAQHGHTEN-UHFFFAOYSA-N"	FALSE	FALSE	90	2	3
"19133-28-9"	NA	NA	"Public_CrossChecked"	"CCP(=S)(OCCCl)OC1=CC=C(C=C1)C#N"	"?"	"InChI=1S/C11H13ClNO2PS/c1-2-16(17,14-8-7-12)15-11-5-3-10(9-13)4-6-11/h3-6H,2,7-8H2,1H3"	"VXDNZMSWMZZCTD-UHFFFAOYSA-N"	TRUE	FALSE	2	1	1
"19142-68-8"	NA	NA	"Public_CrossChecked"	"CC(CN1CCN(CCOCCO)CC1)CN1C2=CC(Cl)=CC=C2SC2C=CC=CC1=2"	"?"	"InChI=1S/C24H32ClN3O2S/c1-19(17-27-10-8-26(9-11-27)12-14-30-15-13-29)18-28-21-4-2-3-5-23(21)31-24-7-6-20(25)16-22(24)28/h2-7,16,19,29H,8-15,17-18H2,1H3"	"CSJGNRAVTRAKFB-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"1917-64-2"	"DTXSID30172704"	"2-Furancarboxaldehyde, 5-(methoxymethyl)-"	"EPA_DSSTox"	"COCC1=CC=C(C=O)O1"	"?"	"InChI=1S/C7H8O3/c1-9-5-7-3-2-6(4-8)10-7/h2-4H,5H2,1H3"	"ASHVULSQMDWKFO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1918-00-9"	"DTXSID4024018"	"Dicamba"	"EPA_DSSTox"	"COC1=C(C(O)=O)C(Cl)=CC=C1Cl"	"?"	"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"	FALSE	FALSE	757	3	4
"1918-02-1"	"DTXSID1021160"	"Picloram"	"EPA_DSSTox"	"NC1C(Cl)=C(Cl)N=C(C(O)=O)C=1Cl"	"?"	"InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)"	"NQQVFXUMIDALNH-UHFFFAOYSA-N"	FALSE	FALSE	686	3	4
"1918-08-7"	"DTXSID1041895"	"Dipropalin"	"EPA_DSSTox"	"CC1C=C(C(=C(C=1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O"	"?"	"InChI=1S/C13H19N3O4/c1-4-6-14(7-5-2)13-11(15(17)18)8-10(3)9-12(13)16(19)20/h8-9H,4-7H2,1-3H3"	"UDVZOMAEGATTSE-UHFFFAOYSA-N"	FALSE	TRUE	3600	3	5
"1918-13-4"	"DTXSID4041783"	"Chlorthiamid"	"EPA_DSSTox"	"NC(=S)C1C(Cl)=CC=CC=1Cl"	"?"	"InChI=1S/C7H5Cl2NS/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)"	"KGKGSIUWJCAFPX-UHFFFAOYSA-N"	FALSE	FALSE	757	3	4
"1918-16-7"	"DTXSID4024274"	"Propachlor"	"EPA_DSSTox"	"CC(C)N(C(=O)CCl)C1C=CC=CC=1"	"?"	"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"	FALSE	FALSE	710	3	4
"1918-18-9"	"DTXSID7042437"	"Swep"	"EPA_DSSTox"	"COC(=O)NC1=CC(Cl)=C(Cl)C=C1"	"?"	"InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12)"	"WOZQBERUBLYCEG-UHFFFAOYSA-N"	FALSE	FALSE	522	3	4
"19186-97-1"	"DTXSID0058691"	"Tris(tribromoneopentyl)phosphate"	"EPA_DSSTox"	"O=P(OCC(CBr)(CBr)CBr)(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"	FALSE	TRUE	NA	4	5
"19190-61-5"	"DTXSID60880229"	"Butanoic acid, 2,2,3,3,4,4-hexafluoro-4-[(trifluoroethenyl)oxy]-, methylester"	"EPA_DSSTox"	"COC(=O)C(F)(F)C(F)(F)C(F)(F)OC(F)=C(F)F"	"?"	"InChI=1S/C7H3F9O3/c1-18-4(17)5(11,12)6(13,14)7(15,16)19-3(10)2(8)9/h1H3"	"MBDQOIDXSFHMFM-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"1920-05-4"	"DTXSID20883771"	"1-Dodecanamine, N,N-dimethyl-, acetate (1:1)"	"EPA_DSSTox"	"CCCCCCCCCCCCN(C)C"	"CC(O)=O"	"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"	FALSE	FALSE	800	3	4
"1920-21-4"	NA	NA	"Public_CrossChecked"	"CC1CCC(C)(C=O)OC=1"	"?"	"InChI=1S/C8H12O2/c1-7-3-4-8(2,6-9)10-5-7/h5-6H,3-4H2,1-2H3"	"DYVJZCIYRQUXBA-UHFFFAOYSA-N"	FALSE	TRUE	2460	3	5
"19201-32-2"	"DTXSID80172759"	"Ethylenediamine, N-(4-aminophenyl)-"	"EPA_DSSTox"	"NC1C=CC(=CC=1)NCCN"	"?"	"InChI=1S/C8H13N3/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4,11H,5-6,9-10H2"	"TVARKMCEMIFLIP-UHFFFAOYSA-N"	FALSE	FALSE	190	2	3
"19213-12-8"	"DTXSID00172771"	"2-Propanone, 1-(alpha,alpha-dimethyl-beta-phenethylamino)-"	"EPA_DSSTox"	"CC(=O)CNC(C)(C)CC1C=CC=CC=1"	"?"	"InChI=1S/C13H19NO/c1-11(15)10-14-13(2,3)9-12-7-5-4-6-8-12/h4-8,14H,9-10H2,1-3H3"	"JTMLIIPAUGESEQ-UHFFFAOYSA-N"	FALSE	FALSE	225	2	3
"19219-99-9"	"DTXSID8051831"	"5-Chloro-2-methylbenzoxazole"	"EPA_DSSTox"	"CC1=NC2=CC(Cl)=CC=C2O1"	"?"	"InChI=1S/C8H6ClNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3"	"HJCIGAUHTJBHBQ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"19224-26-1"	"DTXSID0027802"	"1,2-Propanediol, dibenzoate"	"EPA_DSSTox"	"CC(COC(=O)C1C=CC=CC=1)OC(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C17H16O4/c1-13(21-17(19)15-10-6-3-7-11-15)12-20-16(18)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3"	"UMVMVEZHMZTUHD-UHFFFAOYSA-N"	FALSE	TRUE	2661	3	5
"19234-20-9"	"DTXSID50864876"	"Ethanol, 2-(1-methylethoxy)-, 1-acetate"	"EPA_DSSTox"	"CC(C)OCCOC(C)=O"	"?"	"InChI=1S/C7H14O3/c1-6(2)9-4-5-10-7(3)8/h6H,4-5H2,1-3H3"	"HCDJVEYJSSTYSW-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"19237-84-4"	"DTXSID50172822"	"Prazosin hydrochloride"	"EPA_DSSTox"	"COC1=CC2C(N)=NC(=NC=2C=C1OC)N1CCN(CC1)C(=O)C1=CC=CO1"	"Cl"	"InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)"	"IENZQIKPVFGBNW-UHFFFAOYSA-N"	FALSE	FALSE	1950	3	4
"19243-95-9"	"DTXSID40172836"	"Acrylanilide, 4'-hydroxy-2-methyl-"	"EPA_DSSTox"	"CC(=C)C(=O)NC1C=CC(O)=CC=1"	"?"	"InChI=1S/C10H11NO2/c1-7(2)10(13)11-8-3-5-9(12)6-4-8/h3-6,12H,1H2,2H3,(H,11,13)"	"XZSZONUJSGDIFI-UHFFFAOYSA-N"	FALSE	FALSE	1110	3	4
"19247-68-8"	NA	NA	"Public_CrossChecked"	"C(=NC1C=CC(=CC=1)N=CC1=CC=CO1)C1=CC=CO1"	"?"	"InChI=1S/C16H12N2O2/c1-3-15(19-9-1)11-17-13-5-7-14(8-6-13)18-12-16-4-2-10-20-16/h1-12H"	"ZEJSGZOZUFRALE-UHFFFAOYSA-N"	FALSE	FALSE	1220	3	4
"19249-34-4"	"DTXSID8066472"	"Ethanol, 2,2'-(phenylimino)bis-, diacetate (ester)"	"EPA_DSSTox"	"CC(=O)OCCN(CCOC(C)=O)C1C=CC=CC=1"	"?"	"InChI=1S/C14H19NO4/c1-12(16)18-10-8-15(9-11-19-13(2)17)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3"	"XQGHEXBVXWBMGC-UHFFFAOYSA-N"	FALSE	TRUE	2150	3	5
"19272-90-3"	NA	NA	"Public_CrossChecked"	"COC1C=C(C=CC=1O)C=CC(N)=O"	"?"	"InChI=1S/C10H11NO3/c1-14-9-6-7(2-4-8(9)12)3-5-10(11)13/h2-6,12H,1H3,(H2,11,13)"	"YYAJJKZSQWOLIP-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"1928-43-4"	"DTXSID4034235"	"2,4-D 2-EHE"	"EPA_DSSTox"	"CCCCC(COC(=O)COC1C=CC(Cl)=CC=1Cl)CC"	"?"	"InChI=1S/C16H22Cl2O3/c1-3-5-6-12(4-2)10-21-16(19)11-20-15-8-7-13(17)9-14(15)18/h7-9,12H,3-6,10-11H2,1-2H3"	"QZSFJRIWRPJUOH-UHFFFAOYSA-N"	FALSE	FALSE	864	3	4
"1928-45-6"	"DTXSID0038910"	"2,4-D-3-butoxypropyl ester"	"EPA_DSSTox"	"CCCCOCCCOC(=O)COC1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C15H20Cl2O4/c1-2-3-7-19-8-4-9-20-15(18)11-21-14-6-5-12(16)10-13(14)17/h5-6,10H,2-4,7-9,11H2,1H3"	"KZWPFFFDRDASOU-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"1928-47-8"	"DTXSID8041329"	"2,4,5-T-2-ethylhexyl"	"EPA_DSSTox"	"CCCCC(COC(=O)COC1C=C(Cl)C(Cl)=CC=1Cl)CC"	"?"	"InChI=1S/C16H21Cl3O3/c1-3-5-6-11(4-2)9-22-16(20)10-21-15-8-13(18)12(17)7-14(15)19/h7-8,11H,3-6,9-10H2,1-2H3"	"MNELUOHPQMJXGU-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"1929-82-4"	"DTXSID0024216"	"Nitrapyrin"	"EPA_DSSTox"	"ClC1=CC=CC(=N1)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C6H3Cl4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H"	"DCUJJWWUNKIJPH-UHFFFAOYSA-N"	FALSE	FALSE	940	3	4
"1929-86-8"	"DTXSID7034707"	"Mecoprop-potassium"	"EPA_DSSTox"	"CC1C=C(Cl)C=CC=1OC(C)C(O)=O"	"[K+]"	"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"	FALSE	FALSE	930	3	4
"1929-87-9"	NA	NA	"Public_CrossChecked"	"COC(=O)COC1C=CC2C=CC=CC=2C=1"	"?"	"InChI=1S/C13H12O3/c1-15-13(14)9-16-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,9H2,1H3"	"AMURPBCUFDCTEW-UHFFFAOYSA-N"	FALSE	TRUE	2800	3	5
"19311-91-2"	"DTXSID20172915"	"Diethylsalicylamide"	"EPA_DSSTox"	"CCN(CC)C(=O)C1C=CC=CC=1O"	"?"	"InChI=1S/C11H15NO2/c1-3-12(4-2)11(14)9-7-5-6-8-10(9)13/h5-8,13H,3-4H2,1-2H3"	"ZVYXEXAXXWINEH-UHFFFAOYSA-N"	FALSE	FALSE	580	3	4
"19321-40-5"	NA	NA	"Public_CrossChecked"	"CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)(COC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC"	"?"	"InChI=1S/C77H140O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(78)82-69-77(70-83-74(79)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-84-75(80)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-85-76(81)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h33-40H,5-32,41-72H2,1-4H3"	"QTIMEBJTEBWHOB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1933-50-2"	NA	NA	"Public_CrossChecked"	"CC(=O)NC1C=CC(=CC=1)N=NN(C)C"	"?"	"InChI=1S/C10H14N4O/c1-8(15)11-9-4-6-10(7-5-9)12-13-14(2)3/h4-7H,1-3H3,(H,11,15)"	"KTBWSGZJCVRIRH-UHFFFAOYSA-N"	FALSE	FALSE	510	3	4
"1934-21-0"	"DTXSID1021455"	"FD&C Yellow 5"	"EPA_DSSTox"	"OC(=O)C1NN(C2C=CC(=CC=2)S(O)(=O)=O)C(=O)C=1N=NC1C=CC(=CC=1)S(O)(=O)=O"	"[Na+].[Na+].[Na+]"	"InChI=1S/C16H12N4O9S2/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29/h1-8,19H,(H,22,23)(H,24,25,26)(H,27,28,29)"	"SXSWSYRFTJDJTA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"19351-20-3"	"DTXSID80172951"	"N,N-Diethyl-2-hydroxy-3-methoxybenzamide"	"EPA_DSSTox"	"COC1=CC=CC(=C1O)C(=O)N(CC)CC"	"?"	"InChI=1S/C12H17NO3/c1-4-13(5-2)12(15)9-7-6-8-10(16-3)11(9)14/h6-8,14H,4-5H2,1-3H3"	"UNKOWBNGINEEOQ-UHFFFAOYSA-N"	FALSE	TRUE	2080	3	5
"19351-21-4"	"DTXSID40172952"	"N,N-Diethyl-2-hydroxy-4-methoxybenzamide"	"EPA_DSSTox"	"COC1C=CC(=CC=1O)C(=O)N(CC)CC"	"?"	"InChI=1S/C12H17NO3/c1-4-13(5-2)12(15)9-6-7-11(16-3)10(14)8-9/h6-8,14H,4-5H2,1-3H3"	"FFLBZJBCSKGBBK-UHFFFAOYSA-N"	FALSE	FALSE	1990	3	4
"1937-35-5"	NA	NA	"Public_CrossChecked"	"NC1C2C=CC=CC=2C(=CC=1N=NC1C=CC(=CC=1)C1C=CC(=CC=1)NN=C1C2C(=CC(=CC2=O)S(O)(=O)=O)C=CC1=N)S(O)(=O)=O"	"[Na+].[Na+]"	"InChI=1S/C32H24N6O7S2/c33-26-14-9-20-15-23(46(40,41)42)16-28(39)30(20)32(26)38-36-22-12-7-19(8-13-22)18-5-10-21(11-6-18)35-37-27-17-29(47(43,44)45)24-3-1-2-4-25(24)31(27)34/h1-17,30,33,36H,34H2,(H,40,41,42)(H,43,44,45)"	"YBOGSWGDUFMSKR-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"1937-37-7"	"DTXSID7020184"	"C.I. Direct Black 38"	"EPA_DSSTox"	"NC1=CC(N)=C(C=C1)N=NC1C=CC(=CC=1)C1C=CC(=CC=1)N=NC1C(=CC2C=C(C(N=NC3C=CC=CC=3)=C(O)C=2C=1N)S(O)(=O)=O)S(O)(=O)=O"	"[Na+].[Na+]"	"InChI=1S/C34H27N9O7S2/c35-22-10-15-27(26(36)18-22)41-38-24-11-6-19(7-12-24)20-8-13-25(14-9-20)40-42-32-28(51(45,46)47)16-21-17-29(52(48,49)50)33(34(44)30(21)31(32)37)43-39-23-4-2-1-3-5-23/h1-18,44H,35-37H2,(H,45,46,47)(H,48,49,50)"	"ATFARZXNCCWOKJ-UHFFFAOYSA-N"	FALSE	TRUE	7600	4	5
"19386-45-9"	"DTXSID00172998"	"Phenol, 2,2'-methylenebis(3,5,6-trichloro-"	"EPA_DSSTox"	"OC1C(CC2C(Cl)=CC(Cl)=C(Cl)C=2O)=C(Cl)C=C(Cl)C=1Cl"	"?"	"InChI=1S/C13H6Cl6O2/c14-6-2-8(16)10(18)12(20)4(6)1-5-7(15)3-9(17)11(19)13(5)21/h2-3,20-21H,1H2"	"SPFVBVIRMDLUJI-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"19387-91-8"	"DTXSID4023676"	"Tinidazole"	"EPA_DSSTox"	"CC1=NC=C(N1CCS(=O)(=O)CC)[N+]([O-])=O"	"?"	"InChI=1S/C8H13N3O4S/c1-3-16(14,15)5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3"	"HJLSLZFTEKNLFI-UHFFFAOYSA-N"	FALSE	TRUE	2710	3	5
"19395-78-9"	"DTXSID80173009"	"Moquizone hydrochloride"	"EPA_DSSTox"	"O=C1C2C=CC=CC=2N(CN1C1C=CC=CC=1)C(=O)CN1CCOCC1"	"Cl"	"InChI=1S/C20H21N3O3/c24-19(14-21-10-12-26-13-11-21)23-15-22(16-6-2-1-3-7-16)20(25)17-8-4-5-9-18(17)23/h1-9H,10-15H2"	"VCRQLDNIOXNDMT-UHFFFAOYSA-N"	FALSE	TRUE	2135	3	5
"19396-06-6"	"DTXSID3058329"	"Polyoxin B"	"EPA_DSSTox"	"NC(=O)OCC(O)C(O)C(N)C(=O)NC(C1OC(C(O)C1O)N1C=C(CO)C(=O)NC1=O)C(O)=O"	"?"	"InChI=1S/C17H25N5O13/c18-6(8(25)5(24)3-34-16(19)32)13(29)20-7(15(30)31)11-9(26)10(27)14(35-11)22-1-4(2-23)12(28)21-17(22)33/h1,5-11,14,23-27H,2-3,18H2,(H2,19,32)(H,20,29)(H,30,31)(H,21,28,33)"	"YFZNSPMAOIVQRP-UHFFFAOYSA-N"	FALSE	TRUE	14665	4	5
"19403-92-0"	"DTXSID20173023"	"2,4,6-Triiodoresorcinol"	"EPA_DSSTox"	"OC1=C(I)C=C(I)C(O)=C1I"	"?"	"InChI=1S/C6H3I3O2/c7-2-1-3(8)6(11)4(9)5(2)10/h1,10-11H"	"XKFZYVWWXHCHIX-UHFFFAOYSA-N"	FALSE	TRUE	8200	4	5
"19406-51-0"	"DTXSID8074312"	"4-Amino-2,6-dinitrotoluene"	"EPA_DSSTox"	"CC1C(=CC(N)=CC=1[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C7H7N3O4/c1-4-6(9(11)12)2-5(8)3-7(4)10(13)14/h2-3H,8H2,1H3"	"KQRJATLINVYHEZ-UHFFFAOYSA-N"	FALSE	FALSE	959	3	4
"19408-46-9"	"DTXSID2040739"	"Kasugamycin hydrochloride"	"EPA_DSSTox"	"[H]/N=C(/NC1CC(N)C(OC1C)OC1C(O)C(O)C(O)C(O)C1O)\C(O)=O"	"Cl"	"InChI=1S/C14H25N3O9/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24)"	"PVTHJAPFENJVNC-UHFFFAOYSA-N"	FALSE	TRUE	22000	4	5
"19408-74-3"	"DTXSID6023781"	"Hexachlorodibenzo-p-dioxin"	"EPA_DSSTox"	"ClC1=CC2OC3C=C(Cl)C(Cl)=C(Cl)C=3OC=2C(Cl)=C1Cl"	"?"	"InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-12-6(19-5)2-4(14)8(16)10(12)18/h1-2H"	"LGIRBUBHIWTVCK-UHFFFAOYSA-N"	TRUE	FALSE	0.8	1	1
"1941-30-6"	"DTXSID9026130"	"Tetrapropylammonium bromide"	"EPA_DSSTox"	"CCC[N+](CCC)(CCC)CCC"	"[Br-]"	"InChI=1S/C12H28N/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-12H2,1-4H3/q+1"	"OSBSFAARYOCBHB-UHFFFAOYSA-N"	FALSE	TRUE	3300	3	5
"1942-78-5"	NA	NA	"Public_CrossChecked"	"CC1C=C(C=CC=1Cl)SP(=S)(CC)OCC"	"?"	"InChI=1S/C11H16ClOPS2/c1-4-13-14(15,5-2)16-10-6-7-11(12)9(3)8-10/h6-8H,4-5H2,1-3H3"	"IEADLNJATHLPCI-UHFFFAOYSA-N"	TRUE	FALSE	4.3	1	1
"1942-80-9"	NA	NA	"Public_CrossChecked"	"CC1C=C(C=CC=1Cl)SP(=S)(CC)OC"	"?"	"InChI=1S/C10H14ClOPS2/c1-4-13(14,12-3)15-9-5-6-10(11)8(2)7-9/h5-7H,4H2,1-3H3"	"CDXWKKIJUWRLEM-UHFFFAOYSA-N"	FALSE	FALSE	89	2	3
"1943-27-7"	"DTXSID50173051"	"4(3H)-Quinazolinone, 3-(p-bromophenyl)-2-methyl-, monohydrochloride"	"EPA_DSSTox"	"CC1=NC2C=CC=CC=2C(=O)N1C1C=CC(Br)=CC=1"	"Cl"	"InChI=1S/C15H11BrN2O/c1-10-17-14-5-3-2-4-13(14)15(19)18(10)12-8-6-11(16)7-9-12/h2-9H,1H3"	"HNDXCNZDFXGBRU-UHFFFAOYSA-N"	FALSE	FALSE	185	2	3
"1943-79-9"	"DTXSID1073282"	"Phenyl methylcarbamate"	"EPA_DSSTox"	"CNC(=O)OC1C=CC=CC=1"	"?"	"InChI=1S/C8H9NO2/c1-9-8(10)11-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)"	"SCWKRWCUMCMVPW-UHFFFAOYSA-N"	FALSE	FALSE	540	3	4
"1944-12-3"	"DTXSID5045419"	"Fenoterol hydrobromide"	"EPA_DSSTox"	"CC(CC1C=CC(O)=CC=1)NCC(O)C1C=C(O)C=C(O)C=1"	"Br"	"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"	FALSE	FALSE	1600	3	4
"19444-21-4"	"DTXSID60435935"	"allyl 2-hydroxyisobutyrate"	"EPA_DSSTox"	"CC(C)(O)C(=O)OCC=C"	"?"	"InChI=1S/C7H12O3/c1-4-5-10-6(8)7(2,3)9/h4,9H,1,5H2,2-3H3"	"CTQMWJKOPOFOSX-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	NA
"19457-00-2"	NA	NA	"Public_CrossChecked"	"CNCCOC1C=CC(CNC(=O)C2=CC(OCC)=C(C=C2)OCC)=CC=1"	"[Cl-]"	"InChI=1S/C21H28N2O4/c1-4-25-19-11-8-17(14-20(19)26-5-2)21(24)23-15-16-6-9-18(10-7-16)27-13-12-22-3/h6-11,14,22H,4-5,12-13,15H2,1-3H3,(H,23,24)"	"IZKSBKIVEJBRSO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1947-37-1"	NA	NA	"Public_CrossChecked"	"CSCCC(NC(=O)C(N)CC1=CNC2=CC=CC=C12)C(=O)NC(CC(O)=O)C(=O)NC(CC1C=CC=CC=1)C(N)=O"	"?"	"InChI=1S/C29H36N6O6S/c1-42-12-11-22(33-27(39)20(30)14-18-16-32-21-10-6-5-9-19(18)21)28(40)35-24(15-25(36)37)29(41)34-23(26(31)38)13-17-7-3-2-4-8-17/h2-10,16,20,22-24,32H,11-15,30H2,1H3,(H2,31,38)(H,33,39)(H,34,41)(H,35,40)(H,36,37)"	"RGYLYUZOGHTBRF-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1947-58-6"	NA	NA	"Public_CrossChecked"	"OCC(Br)C(Br)CO"	"?"	"InChI=1S/C4H8Br2O2/c5-3(1-7)4(6)2-8/h3-4,7-8H,1-2H2"	"OXYNQEOLHRWEPE-UHFFFAOYSA-N"	FALSE	TRUE	2460	3	5
"19480-39-8"	"DTXSID10173133"	"Acetic acid, (4-chloro-2-methylphenoxy)-, ammonium salt"	"EPA_DSSTox"	"CC1C=C(Cl)C=CC=1OCC(O)=O"	"[NH4+]"	"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"	FALSE	FALSE	1200	3	4
"19485-08-6"	"DTXSID90173136"	"Cyproquinate"	"EPA_DSSTox"	"CCOC(=O)C1=CNC2=CC(OCC3CC3)=C(C=C2C1=O)OCC1CC1"	"?"	"InChI=1S/C20H23NO5/c1-2-24-20(23)15-9-21-16-8-18(26-11-13-5-6-13)17(7-14(16)19(15)22)25-10-12-3-4-12/h7-9,12-13H,2-6,10-11H2,1H3,(H,21,22)"	"JBCLGHRMQCEPFM-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"1949-20-8"	"DTXSID9045556"	"Oxalamine citrate"	"EPA_DSSTox"	"CCN(CCC1=NC(=NO1)C1C=CC=CC=1)CC"	"OC(=O)CC(O)(CC(O)=O)C(O)=O"	"InChI=1S/C14H19N3O/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3"	"IDCHQQSVJAAUQQ-UHFFFAOYSA-N"	FALSE	FALSE	1650	3	4
"1952-96-1"	NA	NA	"Public_CrossChecked"	"[O-][N+](=O)C1C=CC(=CC=1)C(O)C(CO)N=CC1C=CC(=CC=1)N(CCCl)CCCl"	"?"	"InChI=1S/C20H23Cl2N3O4/c21-9-11-24(12-10-22)17-5-1-15(2-6-17)13-23-19(14-26)20(27)16-3-7-18(8-4-16)25(28)29/h1-8,13,19-20,26-27H,9-12,14H2"	"FHVCUDOQNNJRIT-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"195252-02-9"	"DTXSID90173176"	"9H-Purin-6-amine, 9-(cyclopropylmethyl)-N,N-dimethyl-"	"EPA_DSSTox"	"CN(C)C1=NC=NC2=C1N=CN2CC1CC1"	"?"	"InChI=1S/C11H15N5/c1-15(2)10-9-11(13-6-12-10)16(7-14-9)5-8-3-4-8/h6-8H,3-5H2,1-2H3"	"VVEHPZBQBATSMK-UHFFFAOYSA-N"	FALSE	FALSE	570	3	4
"195252-21-2"	"DTXSID50173177"	"9H-Purin-6-amine, N-cyclopropyl-9-(cyclopropylmethyl)-"	"EPA_DSSTox"	"C(C1CC1)N1C=NC2=C1N=CN=C2NC1CC1"	"?"	"InChI=1S/C12H15N5/c1-2-8(1)5-17-7-15-10-11(16-9-3-4-9)13-6-14-12(10)17/h6-9H,1-5H2,(H,13,14,16)"	"JEWJPJXPOUFBMO-UHFFFAOYSA-N"	FALSE	FALSE	160	2	3
"195252-29-0"	"DTXSID10173178"	"9H-Purin-6-amine, N,9-dicyclopropyl-"	"EPA_DSSTox"	"C1CC1NC1=NC=NC2=C1N=CN2C1CC1"	"?"	"InChI=1S/C11H13N5/c1-2-7(1)15-10-9-11(13-5-12-10)16(6-14-9)8-3-4-8/h5-8H,1-4H2,(H,12,13,15)"	"QYDSBWLAQUNGTM-UHFFFAOYSA-N"	FALSE	FALSE	130	2	3
"195252-40-5"	"DTXSID70173179"	"Formamide, N-cyclopropyl-N-(9-(cyclopropylmethyl)-9H-purin-6-yl)-"	"EPA_DSSTox"	"O=CN(C1CC1)C1=NC=NC2=C1N=CN2CC1CC1"	"?"	"InChI=1S/C13H15N5O/c19-8-18(10-3-4-10)13-11-12(14-6-15-13)17(7-16-11)5-9-1-2-9/h6-10H,1-5H2"	"SJUAGEBOYONAMV-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"195252-47-2"	"DTXSID40173181"	"9H-Purin-6-amine, N-cyclopropyl-9-(cyclopropylmethyl)-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1N=C(NC2CC2)C2N=CN(CC3CC3)C=2N=1"	"?"	"InChI=1S/C13H14F3N5/c14-13(15,16)12-19-10(18-8-3-4-8)9-11(20-12)21(6-17-9)5-7-1-2-7/h6-8H,1-5H2,(H,18,19,20)"	"HEOSGBAADACZLN-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"1953-02-2"	"DTXSID4023678"	"Tiopronin"	"EPA_DSSTox"	"CC(S)C(=O)NCC(O)=O"	"?"	"InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)"	"YTGJWQPHMWSCST-UHFFFAOYSA-N"	FALSE	FALSE	1300	3	4
"1955-45-9"	"DTXSID0021171"	"Pivalolactone"	"EPA_DSSTox"	"CC1(C)COC1=O"	"?"	"InChI=1S/C5H8O2/c1-5(2)3-7-4(5)6/h3H2,1-2H3"	"ULKFLOVGORAZDI-UHFFFAOYSA-N"	FALSE	FALSE	1470	3	4
"19562-30-2"	"DTXSID4045424"	"Piromidic acid"	"EPA_DSSTox"	"CCN1C=C(C(O)=O)C(=O)C2C=NC(=NC1=2)N1CCCC1"	"?"	"InChI=1S/C14H16N4O3/c1-2-17-8-10(13(20)21)11(19)9-7-15-14(16-12(9)17)18-5-3-4-6-18/h7-8H,2-6H2,1H3,(H,20,21)"	"RCIMBBZXSXFZBV-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"19594-18-4"	"DTXSID10173254"	"Phenetole, beta-(ethylthio)-p-nitro-"	"EPA_DSSTox"	"CCSCCOC1C=CC(=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C10H13NO3S/c1-2-15-8-7-14-10-5-3-9(4-6-10)11(12)13/h3-6H,2,7-8H2,1H3"	"QMZNCBRRQAZBJE-UHFFFAOYSA-N"	FALSE	FALSE	826	3	4
"1962-75-0"	"DTXSID3022168"	"Dibutyl terephthalate"	"EPA_DSSTox"	"CCCCOC(=O)C1C=CC(=CC=1)C(=O)OCCCC"	"?"	"InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-7-9-14(10-8-13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3"	"LQLQDKBJAIILIQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"19622-19-6"	"DTXSID90173297"	"Prothiocarb hydrochloride [ISO]"	"EPA_DSSTox"	"CCSC(=O)NCCCN(C)C"	"[Cl-]"	"InChI=1S/C8H18N2OS/c1-4-12-8(11)9-6-5-7-10(2)3/h4-7H2,1-3H3,(H,9,11)"	"YRRBXJLFCBCKNW-UHFFFAOYSA-N"	FALSE	FALSE	1300	3	4
"19645-42-2"	"DTXSID50173314"	"Phosphorothioic acid, O-(3-(isopropylthio)-4-nitrophenyl) O,O-dimethyl ester"	"EPA_DSSTox"	"CC(C)SC1C=C(C=CC=1[N+]([O-])=O)OP(=S)(OC)OC"	"?"	"InChI=1S/C11H16NO5PS2/c1-8(2)20-11-7-9(5-6-10(11)12(13)14)17-18(19,15-3)16-4/h5-8H,1-4H3"	"KKHXDXQJMZXBTP-UHFFFAOYSA-N"	FALSE	FALSE	1140	3	4
"1965-29-3"	"DTXSID60862803"	"Ethanol, 2-[[2-[(2-aminoethyl)amino]ethyl]amino]-"	"EPA_DSSTox"	"NCCNCCNCCO"	"?"	"InChI=1S/C6H17N3O/c7-1-2-8-3-4-9-5-6-10/h8-10H,1-7H2"	"HVOBSBRYQIYZNY-UHFFFAOYSA-N"	FALSE	TRUE	4630	3	5
"1966-58-1"	"DTXSID5041853"	"Dichlormate"	"EPA_DSSTox"	"CNC(=O)OCC1=CC(Cl)=C(Cl)C=C1"	"?"	"InChI=1S/C9H9Cl2NO2/c1-12-9(13)14-5-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3,(H,12,13)"	"DSVOTYIOPGIVPP-UHFFFAOYSA-N"	FALSE	FALSE	1870	3	4
"19666-30-9"	"DTXSID3024239"	"Oxadiazon"	"EPA_DSSTox"	"CC(C)OC1C=C(C(Cl)=CC=1Cl)N1N=C(OC1=O)C(C)(C)C"	"?"	"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"	FALSE	TRUE	3500	3	5
"19668-15-6"	"DTXSID70173336"	"Butyrophenone, 4'-fluoro-4-(4-hydroxypiperidino)-, hydrochloride"	"EPA_DSSTox"	"OC1CCN(CCCC(=O)C2C=CC(F)=CC=2)CC1"	"Cl"	"InChI=1S/C15H20FNO2/c16-13-5-3-12(4-6-13)15(19)2-1-9-17-10-7-14(18)8-11-17/h3-6,14,18H,1-2,7-11H2"	"OJTNFBDLVWOHKM-UHFFFAOYSA-N"	FALSE	TRUE	2400	3	5
"1967-16-4"	"DTXSID6041769"	"Chlorbufam"	"EPA_DSSTox"	"CC(C#C)OC(=O)NC1C=CC=C(Cl)C=1"	"?"	"InChI=1S/C11H10ClNO2/c1-3-8(2)15-11(14)13-10-6-4-5-9(12)7-10/h1,4-8H,2H3,(H,13,14)"	"ULBXWWGWDPVHAO-UHFFFAOYSA-N"	FALSE	TRUE	2380	3	5
"19688-04-1"	"DTXSID90173353"	"3-Isoxazolecarboxylic acid, 4-benzoyl-, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)C1=NOC=C1C(=O)C1=CC=CC=C1"	"?"	"InChI=1S/C13H11NO4/c1-2-17-13(16)11-10(8-18-14-11)12(15)9-6-4-3-5-7-9/h3-8H,2H2,1H3"	"NNXJZSDIPAKSDR-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"19690-31-4"	"DTXSID70173356"	"Benzimidazol-4-ol, 5,6-dichloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"OC1=C2N=C(NC2=CC(Cl)=C1Cl)C(F)(F)F"	"?"	"InChI=1S/C8H3Cl2F3N2O/c9-2-1-3-5(6(16)4(2)10)15-7(14-3)8(11,12)13/h1,16H,(H,14,15)"	"WVLSHVZSPKMARB-UHFFFAOYSA-N"	FALSE	FALSE	52	2	3
"19694-10-1"	"DTXSID2066517"	"Benzamide, 3-amino-4-chloro-"	"EPA_DSSTox"	"NC1=CC(=CC=C1Cl)C(N)=O"	"?"	"InChI=1S/C7H7ClN2O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H2,10,11)"	"QHMDKGRWJVOUFU-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"1970-40-7"	"DTXSID7042354"	"Pyriclor"	"EPA_DSSTox"	"OC1=C(Cl)C=NC(Cl)=C1Cl"	"?"	"InChI=1S/C5H2Cl3NO/c6-2-1-9-5(8)3(7)4(2)10/h1H,(H,9,10)"	"XTVIFVALDYTCLL-UHFFFAOYSA-N"	FALSE	FALSE	80	2	3
"19719-28-9"	"DTXSID4041363"	"2,4-Dichlorophenylacetic acid"	"EPA_DSSTox"	"OC(=O)CC1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C8H6Cl2O2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12)"	"GXMWLJKTGBZMBH-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"19721-22-3"	"DTXSID3051836"	"3-Mercapto-1-propanol"	"EPA_DSSTox"	"OCCCS"	"?"	"InChI=1S/C3H8OS/c4-2-1-3-5/h4-5H,1-3H2"	"SHLSSLVZXJBVHE-UHFFFAOYSA-N"	FALSE	FALSE	116	2	3
"19721-74-5"	NA	NA	"Public_CrossChecked"	"O=S(=O)(C(Cl)CCl)C(Cl)CCl"	"?"	"InChI=1S/C4H6Cl4O2S/c5-1-3(7)11(9,10)4(8)2-6/h3-4H,1-2H2"	"QTJJOZORJHAYSE-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"19750-95-9"	"DTXSID5044811"	"Chlordimeform hydrochloride"	"EPA_DSSTox"	"CC1C=C(Cl)C=CC=1N=CN(C)C"	"Cl"	"InChI=1S/C10H13ClN2/c1-8-6-9(11)4-5-10(8)12-7-13(2)3/h4-7H,1-3H3"	"STUSTWKEFDQFFZ-UHFFFAOYSA-N"	FALSE	FALSE	225	2	3
"19767-45-4"	"DTXSID1020809"	"Sodium 2-mercaptoethanesulfonate"	"EPA_DSSTox"	"OS(=O)(=O)CCS"	"[Na+]"	"InChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5)"	"ZNEWHQLOPFWXOF-UHFFFAOYSA-N"	FALSE	TRUE	4440	3	5
"1977-10-2"	"DTXSID7023229"	"Loxapine"	"EPA_DSSTox"	"CN1CCN(CC1)C1=NC2=CC=CC=C2OC2C=CC(Cl)=CC=21"	"?"	"InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3"	"XJGVXQDUIWGIRW-UHFFFAOYSA-N"	FALSE	FALSE	151	2	3
"1977-11-3"	"DTXSID1048758"	"Perlapine"	"EPA_DSSTox"	"CN1CCN(CC1)C1=NC2C=CC=CC=2CC2C=CC=CC=21"	"?"	"InChI=1S/C19H21N3/c1-21-10-12-22(13-11-21)19-17-8-4-2-6-15(17)14-16-7-3-5-9-18(16)20-19/h2-9H,10-14H2,1H3"	"PWRPUAKXMQAFCJ-UHFFFAOYSA-N"	FALSE	FALSE	660	3	4
"19774-82-4"	"DTXSID7037185"	"Amiodarone hydrochloride"	"EPA_DSSTox"	"CCCCC1OC2C=CC=CC=2C=1C(=O)C1=CC(I)=C(OCCN(CC)CC)C(I)=C1"	"Cl"	"InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3"	"IYIKLHRQXLHMJQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"19780-11-1"	"DTXSID7025217"	"(2-Dodecenyl)succinic anhydride"	"EPA_DSSTox"	"CCCCCCCCCC=CCC1CC(=O)OC1=O"	"?"	"InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h10-11,14H,2-9,12-13H2,1H3"	"UYCICMIUKYEYEU-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"19794-93-5"	"DTXSID5045043"	"Trazodone"	"EPA_DSSTox"	"O=C1N2C=CC=CC2=NN1CCCN1CCN(CC1)C1C=C(Cl)C=CC=1"	"?"	"InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2"	"PHLBKPHSAVXXEF-UHFFFAOYSA-N"	FALSE	FALSE	690	3	4
"1982-36-1"	NA	NA	"Public_CrossChecked"	"CN1CCCN(CC1)C(C1C=CC=CC=1)C1C=CC(Cl)=CC=1"	"Cl.Cl"	"InChI=1S/C19H23ClN2/c1-21-12-5-13-22(15-14-21)19(16-6-3-2-4-7-16)17-8-10-18(20)11-9-17/h2-4,6-11,19H,5,12-15H2,1H3"	"WEUCDJCFJHYFRL-UHFFFAOYSA-N"	FALSE	FALSE	490	2	4
"1982-37-2"	"DTXSID6023282"	"Methdilazine"	"EPA_DSSTox"	"CN1CC(CN2C3=CC=CC=C3SC3C=CC=CC2=3)CC1"	"?"	"InChI=1S/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3"	"HTMIBDQKFHUPSX-UHFFFAOYSA-N"	FALSE	FALSE	162	2	3
"1982-47-4"	"DTXSID7040287"	"Chloroxuron"	"EPA_DSSTox"	"CN(C)C(=O)NC1C=CC(=CC=1)OC1C=CC(Cl)=CC=1"	"?"	"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"	FALSE	TRUE	3000	3	5
"1982-49-6"	"DTXSID7032474"	"Siduron"	"EPA_DSSTox"	"CC1CCCCC1NC(=O)NC1=CC=CC=C1"	"?"	"InChI=1S/C14H20N2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H2,15,16,17)"	"JXVIIQLNUPXOII-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"1982-55-4"	"DTXSID60173542"	"2,1,3-Benzothiadiazole, 4,5,7-trichloro-"	"EPA_DSSTox"	"ClC1=CC(Cl)=C(Cl)C2=NSN=C12"	"?"	"InChI=1S/C6HCl3N2S/c7-2-1-3(8)5-6(4(2)9)11-12-10-5/h1H"	"SZYWFOPNFNROQB-UHFFFAOYSA-N"	FALSE	FALSE	1620	3	4
"19824-89-6"	"DTXSID20173548"	"Cloxypendyl dihydrochloride"	"EPA_DSSTox"	"OCCN1CCN(CCCN2C3N=CC(Cl)=CC=3SC3C=CC=CC2=3)CC1"	"Cl.Cl"	"InChI=1S/C20H25ClN4OS/c21-16-14-19-20(22-15-16)25(17-4-1-2-5-18(17)27-19)7-3-6-23-8-10-24(11-9-23)12-13-26/h1-2,4-5,14-15,26H,3,6-13H2"	"VBTNUSHFBRTASB-UHFFFAOYSA-N"	FALSE	FALSE	657	3	4
"19843-73-3"	NA	NA	"Public_CrossChecked"	"N=[N+]=NC1CCCCC1N=O"	"?"	"InChI=1S/C6H11N4O/c7-10-8-5-3-1-2-4-6(5)9-11/h5-7H,1-4H2/q+1"	"WDTSDNWSNPBZNK-UHFFFAOYSA-N"	FALSE	FALSE	1120	3	4
"1985-12-2"	"DTXSID30173594"	"4-Bromophenylisothiocyanate"	"EPA_DSSTox"	"S=C=NC1C=CC(Br)=CC=1"	"?"	"InChI=1S/C7H4BrNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H"	"XQACWEBGSZBLRG-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"1986-53-4"	"DTXSID0057677"	"Bolandiol dipropionate"	"EPA_DSSTox"	"CC12CCC3C4CCC(C=C4CCC3C1CCC2OC(=O)CC)OC(=O)CC"	"?"	"InChI=1S/C24H36O4/c1-4-22(25)27-16-7-9-17-15(14-16)6-8-19-18(17)12-13-24(3)20(19)10-11-21(24)28-23(26)5-2/h14,16-21H,4-13H2,1-3H3"	"JFAXVZXNIGIDDA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"1987-50-4"	"DTXSID2037714"	"4-Heptylphenol"	"EPA_DSSTox"	"CCCCCCCC1C=CC(O)=CC=1"	"?"	"InChI=1S/C13H20O/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11,14H,2-7H2,1H3"	"KNDDEFBFJLKPFE-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"19876-05-2"	"DTXSID20173629"	"Urea, 1-allyl-3-(p-chlorobenzenesulfonyl)-"	"EPA_DSSTox"	"C=CCNC(=O)NS(=O)(=O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C10H11ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h2-6H,1,7H2,(H2,12,13,14)"	"XOJOKGIJLOFQKV-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"19882-03-2"	NA	NA	"Public_CrossChecked"	"CCC12CCC3C(CCC4C=C(O)C=CC=43)C1CC(O)C2O"	"?"	"InChI=1S/C19H26O3/c1-2-19-8-7-14-13-6-4-12(20)9-11(13)3-5-15(14)16(19)10-17(21)18(19)22/h4,6,9,14-18,20-22H,2-3,5,7-8,10H2,1H3"	"KMVJBESLNMZCAQ-UHFFFAOYSA-N"	FALSE	TRUE	5010	4	5
"199119-58-9"	"DTXSID8040222"	"Trifloxysulfuron-sodium"	"EPA_DSSTox"	"COC1=CC(=NC(NC(=O)NS(=O)(=O)C2N=CC=CC=2OCC(F)(F)F)=N1)OC"	"[Na+]"	"InChI=1S/C14H14F3N5O6S/c1-26-9-6-10(27-2)20-12(19-9)21-13(23)22-29(24,25)11-8(4-3-5-18-11)28-7-14(15,16)17/h3-6H,7H2,1-2H3,(H2,19,20,21,22,23)"	"AIMMSOZBPYFASU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"19932-84-4"	"DTXSID2041545"	"6-Chloro-2,3-dihydrobenzoxazol-2-one"	"EPA_DSSTox"	"O=C1NC2C=CC(Cl)=CC=2O1"	"?"	"InChI=1S/C7H4ClNO2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)"	"MATCZHXABVLZIE-UHFFFAOYSA-N"	FALSE	FALSE	1200	3	4
"19937-59-8"	"DTXSID1042158"	"Metoxuron"	"EPA_DSSTox"	"COC1C=CC(=CC=1Cl)NC(=O)N(C)C"	"?"	"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"	FALSE	FALSE	1600	3	4
"19962-50-6"	NA	NA	"Public_CrossChecked"	"CCC1CCCC(CC)C1N"	"?"	"InChI=1S/C10H21N/c1-3-8-6-5-7-9(4-2)10(8)11/h8-10H,3-7,11H2,1-2H3"	"LRFRFHYTHMPJIP-UHFFFAOYSA-N"	FALSE	FALSE	157	2	3
"19974-69-7"	NA	NA	"Public_CrossChecked"	"CN1CCCCC1C(C1=CC(O)=CC=C1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C19H23NO/c1-20-13-6-5-12-18(20)19(15-8-3-2-4-9-15)16-10-7-11-17(21)14-16/h2-4,7-11,14,18-19,21H,5-6,12-13H2,1H3"	"HWUXTANMKXCFCP-UHFFFAOYSA-N"	TRUE	FALSE	1	1	1
"19986-35-7"	"DTXSID20173801"	"2-Benzoxazolinone, 5-chloro-3-((dimethylamino)methyl)-"	"EPA_DSSTox"	"CN(C)CN1C(=O)OC2C=CC(Cl)=CC1=2"	"?"	"InChI=1S/C10H11ClN2O2/c1-12(2)6-13-8-5-7(11)3-4-9(8)15-10(13)14/h3-5H,6H2,1-2H3"	"DXPMJCLOFQOSSS-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"19992-69-9"	NA	NA	"Public_CrossChecked"	"CN(C)N=NC1=CN=CC=C1"	"?"	"InChI=1S/C7H10N4/c1-11(2)10-9-7-4-3-5-8-6-7/h3-6H,1-2H3"	"IDRFBGHJCGDXRW-UHFFFAOYSA-N"	FALSE	FALSE	160	2	3
"2001-81-2"	"DTXSID2048797"	"Diponium bromide"	"EPA_DSSTox"	"CC[N+](CCOC(=O)C(C1CCCC1)C1CCCC1)(CC)CC"	"[Br-]"	"InChI=1S/C20H38NO2/c1-4-21(5-2,6-3)15-16-23-20(22)19(17-11-7-8-12-17)18-13-9-10-14-18/h17-19H,4-16H2,1-3H3/q+1"	"GDMZQNKKYVYOBJ-UHFFFAOYSA-N"	FALSE	FALSE	780	3	4
"2001-95-8"	"DTXSID9041150"	"Valinomycin"	"EPA_DSSTox"	"CC(C)C1NC(=O)C(OC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C"	"?"	"InChI=1S/C54H90N6O18/c1-22(2)34-45(63)58-35(23(3)4)50(68)73-31(19)43(61)56-38(26(9)10)53(71)77-41(29(15)16)47(65)59-36(24(5)6)51(69)74-32(20)44(62)57-39(27(11)12)54(72)78-42(30(17)18)48(66)60-37(25(7)8)52(70)75-33(21)49(67)76-40(28(13)14)46(64)55-34/h22-42H,1-21H3,(H,55,64)(H,56,61)(H,57,62)(H,58,63)(H,59,65)(H,60,66)"	"MBXQOFMOLUBOIN-UHFFFAOYSA-N"	TRUE	FALSE	4	1	1
"2004-62-8"	"DTXSID00403572"	"3,3'-(Hexane-1,6-diyldiazanediyl)dipropanenitrile"	"EPA_DSSTox"	"N#CCCNCCCCCCNCCC#N"	"?"	"InChI=1S/C12H22N4/c13-7-5-11-15-9-3-1-2-4-10-16-12-6-8-14/h15-16H,1-6,9-12H2"	"ABYBSKYSXDSVJG-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"20056-92-2"	"DTXSID20274160"	"7-Dodecen-1-ol,(7Z)-"	"EPA_DSSTox"	"CCCCC=CCCCCCCO"	"?"	"InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-6,13H,2-4,7-12H2,1H3"	"WWDOVTHLTQFGOZ-UHFFFAOYSA-N"	FALSE	TRUE	11730	4	5
"20064-38-4"	NA	NA	"Public_CrossChecked"	"CN(C)CCCN=C1C2C(C=CC=C2N(O)C2=CC=CC=C21)[N+]([O-])=O"	"Cl.Cl"	"InChI=1S/C18H22N4O3/c1-20(2)12-6-11-19-18-13-7-3-4-8-14(13)21(23)15-9-5-10-16(17(15)18)22(24)25/h3-5,7-10,16-17,23H,6,11-12H2,1-2H3"	"DLHSXPFRUJSKMA-UHFFFAOYSA-N"	FALSE	FALSE	110	2	3
"2008-39-1"	"DTXSID0024896"	"2,4-D, Dimethylamine salt"	"EPA_DSSTox"	"OC(=O)COC1C=CC(Cl)=CC=1Cl"	"CNC"	"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"	FALSE	FALSE	625	3	4
"2009-24-7"	"DTXSID50173910"	"Xanthotoxol"	"EPA_DSSTox"	"OC1C2OC=CC=2C=C2C=CC(=O)OC2=1"	"?"	"InChI=1S/C11H6O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-5,13H"	"JWVYQQGERKEAHW-UHFFFAOYSA-N"	FALSE	FALSE	480	2	4
"20103-09-7"	"DTXSID8066557"	"1,4-Benzenediamine, 2,5-dichloro-"	"EPA_DSSTox"	"NC1C=C(Cl)C(N)=CC=1Cl"	"?"	"InChI=1S/C6H6Cl2N2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H,9-10H2"	"QAYVHDDEMLNVMO-UHFFFAOYSA-N"	FALSE	FALSE	1750	3	4
"2011-67-8"	"DTXSID6023369"	"Nimetazepam"	"EPA_DSSTox"	"CN1C2=CC=C(C=C2C(=NCC1=O)C1C=CC=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C16H13N3O3/c1-18-14-8-7-12(19(21)22)9-13(14)16(17-10-15(18)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3"	"GWUSZQUVEVMBPI-UHFFFAOYSA-N"	FALSE	FALSE	970	3	4
"20120-33-6"	"DTXSID9040215"	"Dimethyl N-methylolphosphonopropionamide"	"EPA_DSSTox"	"COP(=O)(CCC(=O)NCO)OC"	"?"	"InChI=1S/C6H14NO5P/c1-11-13(10,12-2)4-3-6(9)7-5-8/h8H,3-5H2,1-2H3,(H,7,9)"	"MCONGYNHPPCHSD-UHFFFAOYSA-N"	FALSE	TRUE	13000	4	5
"20123-68-6"	NA	NA	"Public_CrossChecked"	"NC1=CC(=CC=C1)C(O)CNC1CC1"	"[Cl-].[Cl-]"	"InChI=1S/C11H16N2O/c12-9-3-1-2-8(6-9)11(14)7-13-10-4-5-10/h1-3,6,10-11,13-14H,4-5,7,12H2"	"UARSNIMTTVZHOM-UHFFFAOYSA-N"	FALSE	TRUE	3250	3	5
"2013-58-3"	"DTXSID4048567"	"Meclocycline"	"EPA_DSSTox"	"CN(C)C1C2C(O)C3C(=C)C4=C(C(=O)C3=C(O)C2(O)C(=O)C(C(N)=O)=C1O)C(O)=CC=C4Cl"	"?"	"InChI=1S/C22H21ClN2O8/c1-6-9-7(23)4-5-8(26)11(9)16(27)12-10(6)17(28)14-15(25(2)3)18(29)13(21(24)32)20(31)22(14,33)19(12)30/h4-5,10,14-15,17,26,28-30,33H,1H2,2-3H3,(H2,24,32)"	"GGQJXCQBBONZFX-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"20139-55-3"	"DTXSID2051843"	"N-(4-Chloro-2-methylphenyl)-3-oxobutanamide"	"EPA_DSSTox"	"CC(=O)CC(=O)NC1=CC=C(Cl)C=C1C"	"?"	"InChI=1S/C11H12ClNO2/c1-7-5-9(12)3-4-10(7)13-11(15)6-8(2)14/h3-5H,6H2,1-2H3,(H,13,15)"	"ODFRAIZRJMUPCP-UHFFFAOYSA-N"	FALSE	TRUE	3500	3	5
"2015-28-3"	"DTXSID70173977"	"Perphenazine dihydrochloride"	"EPA_DSSTox"	"OCCN1CCN(CCCN2C3C=CC=CC=3SC3C=CC(Cl)=CC2=3)CC1"	"Cl.Cl"	"InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2"	"RGCVKNLCSQQDEP-UHFFFAOYSA-N"	FALSE	FALSE	318	2	4
"20168-99-4"	"DTXSID70878556"	"Cinmetacin"	"EPA_DSSTox"	"CC1=C(CC(O)=O)C2C=C(C=CC=2N1C(=O)C=CC1C=CC=CC=1)OC"	"?"	"InChI=1S/C21H19NO4/c1-14-17(13-21(24)25)18-12-16(26-2)9-10-19(18)22(14)20(23)11-8-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,24,25)"	"NKPPORKKCMYYTO-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"20170-20-1"	NA	NA	"Public_CrossChecked"	"CN(C)C(C)C(=O)NC1=CC(=NN1C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C20H22N4O/c1-15(23(2)3)20(25)21-19-14-18(16-10-6-4-7-11-16)22-24(19)17-12-8-5-9-13-17/h4-15H,1-3H3,(H,21,25)"	"PCXMKBOWWVXEDT-UHFFFAOYSA-N"	FALSE	FALSE	815	3	4
"20172-02-5"	"DTXSID10174004"	"Acrylanilide, 2-chloro-4'-methoxy-"	"EPA_DSSTox"	"COC1C=CC(=CC=1)NC(=O)C(=C)Cl"	"?"	"InChI=1S/C10H10ClNO2/c1-7(11)10(13)12-8-3-5-9(14-2)6-4-8/h3-6H,1H2,2H3,(H,12,13)"	"IWNLJOLKSABWQH-UHFFFAOYSA-N"	FALSE	FALSE	82	2	3
"2018-45-3"	NA	NA	"Public_CrossChecked"	"CC1(CCO)CCOCO1"	"?"	"InChI=1S/C7H14O3/c1-7(2-4-8)3-5-9-6-10-7/h8H,2-6H2,1H3"	"OAVPPFPSHUKFPJ-UHFFFAOYSA-N"	FALSE	TRUE	8800	4	5
"20187-55-7"	"DTXSID1048334"	"Bendazac"	"EPA_DSSTox"	"OC(=O)COC1=NN(CC2C=CC=CC=2)C2C=CC=CC=21"	"?"	"InChI=1S/C16H14N2O3/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)"	"BYFMCKSPFYVMOU-UHFFFAOYSA-N"	FALSE	FALSE	1200	3	4
"20190-95-8"	NA	NA	"Public_CrossChecked"	"CCCCCCCCC(=O)NO"	"?"	"InChI=1S/C9H19NO2/c1-2-3-4-5-6-7-8-9(11)10-12/h12H,2-8H2,1H3,(H,10,11)"	"JLXAQYGJCVUJLE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"20206-80-8"	"DTXSID60174054"	"2-Pentanone, 5-(acetyloxy)-1-bromo- (9CI)"	"EPA_DSSTox"	"CC(=O)OCCCC(=O)CBr"	"?"	"InChI=1S/C7H11BrO3/c1-6(9)11-4-2-3-7(10)5-8/h2-5H2,1H3"	"AVKQWZGKSJQEAN-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"20208-21-3"	NA	NA	"Public_CrossChecked"	"OCCN1C2C=CC=CC=2N=C1C=CC1NC2C=CC=CC=2N=1"	"?"	"InChI=1S/C18H16N4O/c23-12-11-22-16-8-4-3-7-15(16)21-18(22)10-9-17-19-13-5-1-2-6-14(13)20-17/h1-10,23H,11-12H2,(H,19,20)"	"ZZQQXWDSSMQERZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"2022-85-7"	"DTXSID3023059"	"Flucytosine"	"EPA_DSSTox"	"NC1=NC(=O)NC=C1F"	"?"	"InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)"	"XRECTZIEBJDKEO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"20231-45-2"	NA	NA	"Public_CrossChecked"	"CC12CCC(CC1=O)C2(C)C=O"	"?"	"InChI=1S/C10H14O2/c1-9-4-3-7(5-8(9)12)10(9,2)6-11/h6-7H,3-5H2,1-2H3"	"BZFVGPPELIFTQP-UHFFFAOYSA-N"	FALSE	TRUE	3100	3	5
"20240-98-6"	NA	NA	"Public_CrossChecked"	"CC1C=CC=CC=1N=NN(C)C"	"?"	"InChI=1S/C9H13N3/c1-8-6-4-5-7-9(8)10-11-12(2)3/h4-7H,1-3H3"	"NHMGJBOPOUILBE-UHFFFAOYSA-N"	FALSE	FALSE	350	2	4
"20253-72-9"	NA	NA	"Public_CrossChecked"	"CNC(=O)CSP(O)(=S)OC"	"?"	"InChI=1S/C4H10NO3PS2/c1-5-4(6)3-11-9(7,10)8-2/h3H2,1-2H3,(H,5,6)(H,7,10)"	"XEXKOGVVDDWSQB-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"20261-38-5"	"DTXSID10174105"	"6-n-Tridecylsalicylic acid"	"EPA_DSSTox"	"CCCCCCCCCCCCCC1=CC=CC(O)=C1C(O)=O"	"?"	"InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18(21)19(17)20(22)23/h13,15-16,21H,2-12,14H2,1H3,(H,22,23)"	"VEPUCZUJLKAVNM-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"20262-58-2"	"DTXSID5066586"	"2-Naphthalenesulfonic acid, 6-(acetylamino)-4-hydroxy-3-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, disodium salt"	"EPA_DSSTox"	"CC(=O)NC1=CC2=C(C=C(C(N=NC3C=CC(=CC=3)S(=O)(=O)CCOS(O)(=O)=O)=C2O)S(O)(=O)=O)C=C1"	"[Na+].[Na+]"	"InChI=1S/C20H19N3O11S3/c1-12(24)21-15-3-2-13-10-18(36(28,29)30)19(20(25)17(13)11-15)23-22-14-4-6-16(7-5-14)35(26,27)9-8-34-37(31,32)33/h2-7,10-11,25H,8-9H2,1H3,(H,21,24)(H,28,29,30)(H,31,32,33)"	"INOIOAWTVPHTCJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"2030-63-9"	"DTXSID7022839"	"Clofazimine"	"EPA_DSSTox"	"CC(C)N=C1C=C2C(C=C1NC1C=CC(Cl)=CC=1)=NC1=CC=CC=C1N2C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3"	"WDQPAMHFFCXSNU-UHFFFAOYSA-N"	FALSE	TRUE	8400	4	5
"20308-43-4"	"DTXSID20174196"	"Benzamide, N-pentyl-"	"EPA_DSSTox"	"CCCCCNC(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C12H17NO/c1-2-3-7-10-13-12(14)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3,(H,13,14)"	"LZDRLYMZVCFDSN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"2031-67-6"	"DTXSID6042490"	"Triethoxymethylsilane"	"EPA_DSSTox"	"C[Si](OCC)(OCC)OCC"	"?"	"InChI=1S/C7H18O3Si/c1-5-8-11(4,9-6-2)10-7-3/h5-7H2,1-4H3"	"CPUDPFPXCZDNGI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"2032-65-7"	"DTXSID3032626"	"Methiocarb"	"EPA_DSSTox"	"CC1C=C(C=C(C)C=1SC)OC(=O)NC"	"?"	"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"	TRUE	FALSE	20	1	2
"2033-94-5"	NA	NA	"Public_CrossChecked"	"CC(O)(C#C)C(O)C1C=CC=CC=1"	"?"	"InChI=1S/C11H12O2/c1-3-11(2,13)10(12)9-7-5-4-6-8-9/h1,4-8,10,12-13H,2H3"	"GQOXDWHRXDPZJK-UHFFFAOYSA-N"	FALSE	FALSE	730	3	4
"2034-22-2"	"DTXSID2022173"	"2,4,5-Tribromoimidazole"	"EPA_DSSTox"	"BrC1N=C(Br)NC=1Br"	"?"	"InChI=1S/C3HBr3N2/c4-1-2(5)8-3(6)7-1/h(H,7,8)"	"JCGGPCDDFXIVQB-UHFFFAOYSA-N"	TRUE	FALSE	34	1	2
"20344-15-4"	NA	NA	"Public_CrossChecked"	"CC1=CC(CCN2CCN(CC2)C2=CC(Cl)=CC=C2)=NN1"	"Cl.Cl"	"InChI=1S/C16H21ClN4/c1-13-11-15(19-18-13)5-6-20-7-9-21(10-8-20)16-4-2-3-14(17)12-16/h2-4,11-12H,5-10H2,1H3,(H,18,19)"	"DOTIMEKVTCOGED-UHFFFAOYSA-N"	FALSE	FALSE	570	3	4
"203448-76-4"	NA	NA	"Public_CrossChecked"	"CC(C)CC(C)C1C=CC=CC=1N"	"?"	"InChI=1S/C12H19N/c1-9(2)8-10(3)11-6-4-5-7-12(11)13/h4-7,9-10H,8,13H2,1-3H3"	"LPZZJKBLKQOBMZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"2035-99-6"	"DTXSID7062114"	"Octanoic acid, 3-methylbutyl ester"	"EPA_DSSTox"	"CCCCCCCC(=O)OCCC(C)C"	"?"	"InChI=1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3"	"XKWSWANXMRXDES-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"203515-86-0"	"DTXSID70659822"	"5-Amino-N~1~,N~3~-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide--hydrogen chloride (1/1)"	"EPA_DSSTox"	"NC1C=C(C=C(C=1)C(=O)NCC(O)CO)C(=O)NCC(O)CO"	"Cl"	"InChI=1S/C14H21N3O6/c15-10-2-8(13(22)16-4-11(20)6-18)1-9(3-10)14(23)17-5-12(21)7-19/h1-3,11-12,18-21H,4-7,15H2,(H,16,22)(H,17,23)"	"XOZGAPXHJKSZCU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"20354-26-1"	"DTXSID1040293"	"Methazole"	"EPA_DSSTox"	"CN1C(=O)N(OC1=O)C1=CC(Cl)=C(Cl)C=C1"	"?"	"InChI=1S/C9H6Cl2N2O3/c1-12-8(14)13(16-9(12)15)5-2-3-6(10)7(11)4-5/h2-4H,1H3"	"LRUUNMYPIBZBQH-UHFFFAOYSA-N"	FALSE	FALSE	777	3	4
"20363-83-1"	"DTXSID60174291"	"Methacrylic acid, ester with ethyl glycolate"	"EPA_DSSTox"	"CC(=C)C(=O)OCC(=O)OCC"	"?"	"InChI=1S/C8H12O4/c1-4-11-7(9)5-12-8(10)6(2)3/h2,4-5H2,1,3H3"	"ZQFZSKPXTQMPNC-UHFFFAOYSA-N"	FALSE	TRUE	7880	4	5
"2037-95-8"	"DTXSID3046584"	"Carsalam"	"EPA_DSSTox"	"O=C1NC(=O)OC2C=CC=CC1=2"	"?"	"InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)12-8(11)9-7/h1-4H,(H,9,10,11)"	"OAYRYNVEFFWSHK-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"20373-56-2"	"DTXSID90174300"	"Isonicotinamide, 2,6-dichloro-N-cyclopropyl-N-ethyl-"	"EPA_DSSTox"	"CCN(C1CC1)C(=O)C1=CC(Cl)=NC(Cl)=C1"	"?"	"InChI=1S/C11H12Cl2N2O/c1-2-15(8-3-4-8)11(16)7-5-9(12)14-10(13)6-7/h5-6,8H,2-4H2,1H3"	"UAPVKLXMGJZRAV-UHFFFAOYSA-N"	FALSE	FALSE	78	2	3
"2038-03-1"	"DTXSID4044408"	"2-Morpholinoethylamine"	"EPA_DSSTox"	"NCCN1CCOCC1"	"?"	"InChI=1S/C6H14N2O/c7-1-2-8-3-5-9-6-4-8/h1-7H2"	"RWIVICVCHVMHMU-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"2039-85-2"	"DTXSID8073130"	"m-Chlorostyrene"	"EPA_DSSTox"	"C=CC1C=CC=C(Cl)C=1"	"?"	"InChI=1S/C8H7Cl/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2"	"BOVQCIDBZXNFEJ-UHFFFAOYSA-N"	FALSE	TRUE	5200	4	5
"2039-87-4"	"DTXSID3024811"	"2-Chlorostyrene"	"EPA_DSSTox"	"C=CC1=CC=CC=C1Cl"	"?"	"InChI=1S/C8H7Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2"	"ISRGONDNXBCDBM-UHFFFAOYSA-N"	FALSE	TRUE	5200	4	5
"20395-17-9"	NA	NA	"Public_CrossChecked"	"CCP(=O)(OCC)SCSCSP(=O)(CC)OCC"	"?"	"InChI=1S/C10H24O4P2S3/c1-5-13-15(11,7-3)18-9-17-10-19-16(12,8-4)14-6-2/h5-10H2,1-4H3"	"FHSNIKKZEFCKFD-UHFFFAOYSA-N"	TRUE	FALSE	1.7	1	1
"20404-97-1"	NA	NA	"Public_CrossChecked"	"CC(=O)NC1C=CC(=CC=1)C(C[N+]([O-])=O)SC1C=CC(C)=CC=1"	"?"	"InChI=1S/C17H18N2O3S/c1-12-3-9-16(10-4-12)23-17(11-19(21)22)14-5-7-15(8-6-14)18-13(2)20/h3-10,17H,11H2,1-2H3,(H,18,20)"	"FEYDRETXYFWGJR-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"20405-19-0"	"DTXSID7058331"	"MCPA, diethanolamine salt"	"EPA_DSSTox"	"CC1C=C(Cl)C=CC=1OCC(O)=O"	"N(CCO)CCO"	"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"	FALSE	FALSE	800	3	4
"20417-82-7"	NA	NA	"Public_CrossChecked"	"CC1(CCCC1=NOC(=O)NC)C#N"	"?"	"InChI=1S/C9H13N3O2/c1-9(6-10)5-3-4-7(9)12-14-8(13)11-2/h3-5H2,1-2H3,(H,11,13)"	"YFNRHYNDWJXZCS-UHFFFAOYSA-N"	TRUE	FALSE	18	1	2
"20417-83-8"	"DTXSID30878996"	"3NO2-3ME-2BUTANON(N-ME-CARBMOY)OXIME"	"EPA_DSSTox"	"CC(=NOC(O)=NC)C(C)(C)[N+]([O-])=O"	"?"	"InChI=1S/C7H13N3O4/c1-5(7(2,3)10(12)13)9-14-6(11)8-4/h1-4H3,(H,8,11)"	"AOPFWACZRPAAQD-UHFFFAOYSA-N"	TRUE	FALSE	13	1	2
"20417-84-9"	NA	NA	"Public_CrossChecked"	"CNC(=O)ON=C1CCCC1(C)[N+]([O-])=O"	"?"	"InChI=1S/C8H13N3O4/c1-8(11(13)14)5-3-4-6(8)10-15-7(12)9-2/h3-5H2,1-2H3,(H,9,12)"	"AIFXNTVHNKCKJL-UHFFFAOYSA-N"	TRUE	FALSE	4	1	1
"2043-57-4"	"DTXSID2047565"	"1H,1H,2H,2H-Perfluorooctyl iodide"	"EPA_DSSTox"	"FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI"	"?"	"InChI=1S/C8H4F13I/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2"	"NVVZEKTVIXIUKW-UHFFFAOYSA-N"	FALSE	TRUE	3868	3	5
"2045-52-5"	"DTXSID1025859"	"Phenbenzamine hydrochloride"	"EPA_DSSTox"	"CN(C)CCN(CC1C=CC=CC=1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C17H22N2/c1-18(2)13-14-19(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16/h3-12H,13-15H2,1-2H3"	"CHOBRHHOYQKCOU-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"2047-14-5"	"DTXSID70174444"	"Phosphorodithioic acid, O,O-diethyl ester, S-ester with 2-mercaptoacetamide"	"EPA_DSSTox"	"CCOP(=S)(OCC)SCC(N)=O"	"?"	"InChI=1S/C6H14NO3PS2/c1-3-9-11(12,10-4-2)13-5-6(7)8/h3-5H2,1-2H3,(H2,7,8)"	"YHZHCEYCTFAWOU-UHFFFAOYSA-N"	TRUE	FALSE	10	1	2
"2049-95-8"	"DTXSID7051848"	"tert-Pentylbenzene"	"EPA_DSSTox"	"CCC(C)(C)C1C=CC=CC=1"	"?"	"InChI=1S/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3"	"QHTJSSMHBLGUHV-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"2050-92-2"	"DTXSID4024931"	"N-pentylpentan-1-amine"	"EPA_DSSTox"	"CCCCCNCCCCC"	"?"	"InChI=1S/C10H23N/c1-3-5-7-9-11-10-8-6-4-2/h11H,3-10H2,1-2H3"	"JACMPVXHEARCBO-UHFFFAOYSA-N"	FALSE	FALSE	270	2	3
"2051-78-7"	"DTXSID0047666"	"Allyl butyrate"	"EPA_DSSTox"	"CCCC(=O)OCC=C"	"?"	"InChI=1S/C7H12O2/c1-3-5-7(8)9-6-4-2/h4H,2-3,5-6H2,1H3"	"RMZIOVJHUJAAEY-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"2052-15-5"	"DTXSID3038800"	"Butyl 4-oxopentanoate"	"EPA_DSSTox"	"CC(=O)CCC(=O)OCCCC"	"?"	"InChI=1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3"	"ISBWNEKJSSLXOD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2052-46-2"	"DTXSID50883789"	"1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1)"	"EPA_DSSTox"	"CN(C)C1C=CC(N)=CC=1"	"Cl"	"InChI=1S/C8H12N2/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3"	"BZORFPDSXLZWJF-UHFFFAOYSA-N"	TRUE	FALSE	48	1	2
"20537-88-6"	"DTXSID8022585"	"Amifostine"	"EPA_DSSTox"	"NCCCNCCSP(O)(O)=O"	"?"	"InChI=1S/C5H15N2O3PS/c6-2-1-3-7-4-5-12-11(8,9)10/h7H,1-6H2,(H2,8,9,10)"	"JKOQGQFVAUAYPM-UHFFFAOYSA-N"	FALSE	FALSE	826	3	4
"2055-44-9"	NA	NA	"Public_CrossChecked"	"OC(CN1CCCCC1)C1C=C(ON=1)C1C=CC=CC=1"	"?"	"InChI=1S/C16H20N2O2/c19-15(12-18-9-5-2-6-10-18)14-11-16(20-17-14)13-7-3-1-4-8-13/h1,3-4,7-8,11,15,19H,2,5-6,9-10,12H2"	"XKFIQZCHJUUSBA-UHFFFAOYSA-N"	FALSE	FALSE	1978	3	4
"20562-02-1"	"DTXSID9030707"	"alpha-Solanine"	"EPA_DSSTox"	"CC1CN2C(CC1)C(C)C1C2CC2C3CC=C4CC(CCC4(C)C3CCC21C)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O"	"?"	"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3"	"ZGVSETXHNHBTRK-UHFFFAOYSA-N"	FALSE	FALSE	590	3	4
"20566-35-2"	"DTXSID60864948"	"2-(2-Hydroxyethoxy)ethyl 2-hydroxypropyl 3,4,5,6-tetrabromophthalate"	"EPA_DSSTox"	"CC(O)COC(=O)C1C(=C(Br)C(Br)=C(Br)C=1Br)C(=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"	FALSE	TRUE	NA	3	5
"20602-57-7"	NA	NA	"Public_CrossChecked"	"CC1NC(=O)C2C=CC=CC=2O1"	"?"	"InChI=1S/C9H9NO2/c1-6-10-9(11)7-4-2-3-5-8(7)12-6/h2-6H,1H3,(H,10,11)"	"MOFJSTXFUSYCDO-UHFFFAOYSA-N"	FALSE	FALSE	1025	3	4
"2062-78-4"	"DTXSID8023474"	"Pimozide"	"EPA_DSSTox"	"O=C1NC2C=CC=CC=2N1C1CCN(CCCC(C2C=CC(F)=CC=2)C2C=CC(F)=CC=2)CC1"	"?"	"InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)"	"YVUQSNJEYSNKRX-UHFFFAOYSA-N"	FALSE	FALSE	1100	3	4
"20624-25-3"	"DTXSID3021275"	"Sodium diethyldithiocarbamate trihydrate"	"EPA_DSSTox"	"CCN(CC)C(S)=S"	"O.O.O.[Na+]"	"InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)"	"LMBWSYZSUOEYSN-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"20627-73-0"	NA	NA	"Public_CrossChecked"	"COC(OC)C1C=CC=CC=1[N+]([O-])=O"	"?"	"InChI=1S/C9H11NO4/c1-13-9(14-2)7-5-3-4-6-8(7)10(11)12/h3-6,9H,1-2H3"	"OAPZTGKQZKPVPF-UHFFFAOYSA-N"	FALSE	TRUE	3420	3	5
"20684-06-4"	"DTXSID4048721"	"Bamifylline Hydrochloride"	"EPA_DSSTox"	"CCN(CCN1C2C(=O)N(C)C(=O)N(C)C=2N=C1CC1C=CC=CC=1)CCO"	"Cl"	"InChI=1S/C20H27N5O3/c1-4-24(12-13-26)10-11-25-16(14-15-8-6-5-7-9-15)21-18-17(25)19(27)23(3)20(28)22(18)2/h5-9,26H,4,10-14H2,1-3H3"	"VVUYEFBRTFASAH-UHFFFAOYSA-N"	FALSE	FALSE	1139	3	4
"20686-45-7"	"DTXSID70174742"	"1-Propanone, 1-(10-(3-(4-methyl-1-piperazinyl)propyl)-10H-phenothiazin-2-yl)- (9CI)"	"EPA_DSSTox"	"CN1CCN(CCCN2C3C=C(C=CC=3SC3C=CC=CC2=3)C(=O)CC)CC1"	"?"	"InChI=1S/C23H29N3OS/c1-3-21(27)18-9-10-23-20(17-18)26(19-7-4-5-8-22(19)28-23)12-6-11-25-15-13-24(2)14-16-25/h4-5,7-10,17H,3,6,11-16H2,1-2H3"	"PKIRPXUYFBVOFQ-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"20691-84-3"	NA	NA	"Public_CrossChecked"	"CN(C)C1C=CC(=CC=1)N=NC1=CC(=CC=C1)C(O)=O"	"?"	"InChI=1S/C15H15N3O2/c1-18(2)14-8-6-12(7-9-14)16-17-13-5-3-4-11(10-13)15(19)20/h3-10H,1-2H3,(H,19,20)"	"JAMPLPMVLCTBSB-UHFFFAOYSA-N"	FALSE	TRUE	3757	3	5
"20706-25-6"	NA	NA	"Public_CrossChecked"	"CCCOCCOC(C)=O"	"?"	"InChI=1S/C7H14O3/c1-3-4-9-5-6-10-7(2)8/h3-6H2,1-2H3"	"QMAQLCVJIYANPZ-UHFFFAOYSA-N"	FALSE	TRUE	9456	4	5
"20723-84-6"	NA	NA	"Public_CrossChecked"	"COC1C=CC=CC=1OC(=O)C(CC)C1C=CC(=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C23H22O3/c1-3-20(23(24)26-22-12-8-7-11-21(22)25-2)19-15-13-18(14-16-19)17-9-5-4-6-10-17/h4-16,20H,3H2,1-2H3"	"HSCJXYVNGVOWMN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"20724-12-3"	"DTXSID20174797"	"Anthranilic acid, N-2,3-xylyl-, thymyl ester"	"EPA_DSSTox"	"CC(C)C1C=CC(C)=CC=1OC(=O)C1C=CC=CC=1NC1C=CC=C(C)C=1C"	"?"	"InChI=1S/C25H27NO2/c1-16(2)20-14-13-17(3)15-24(20)28-25(27)21-10-6-7-11-23(21)26-22-12-8-9-18(4)19(22)5/h6-16,26H,1-5H3"	"NDNGOGWAXNHSCK-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"20724-13-4"	NA	NA	"Public_CrossChecked"	"CC1C=CC(C(C)C)=C(C=1)OC(=O)C(CC)C1C=CC(=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C26H28O2/c1-5-23(22-14-12-21(13-15-22)20-9-7-6-8-10-20)26(27)28-25-17-19(4)11-16-24(25)18(2)3/h6-18,23H,5H2,1-4H3"	"GNBAJEWDTRDVTA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"20749-68-2"	"DTXSID6041260"	"C.I. Solvent Red 135"	"EPA_DSSTox"	"O=C1C2=C(C3=NC4=CC=CC5=CC=CC(=C54)N31)C(Cl)=C(Cl)C(Cl)=C2Cl"	"?"	"InChI=1S/C18H6Cl4N2O/c19-13-11-12(14(20)16(22)15(13)21)18(25)24-9-6-2-4-7-3-1-5-8(10(7)9)23-17(11)24/h1-6H"	"UBZVRROHBDDCQY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"20757-80-6"	NA	NA	"Public_CrossChecked"	"ClC1(Cl)C2(Cl)C3CCCCC3C1(Cl)C(Cl)=C2Cl"	"?"	"InChI=1S/C11H10Cl6/c12-7-8(13)10(15)6-4-2-1-3-5(6)9(7,14)11(10,16)17/h5-6H,1-4H2"	"KDWONYYBMDSNMU-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"207574-76-3"	"DTXSID00699655"	"[(1~4~E,3~3~E)-1~4~,3~3~-Bis[(aminoacetyl)imino]-1~2~,3~2~-dimethyl[3~2~,3~3~-dihydro-1~1~,2~1~:2~3~,3~1~-terphenyl]-1~1~,1~3~(1~4~H)-diyl]dicarbamic acid (non-preferred name)"	"EPA_DSSTox"	"CC1=C(NC(O)=O)C(C=CC1(NC(O)=O)C1C=C(C=CC=1)C1=CC=CC(=NC(=O)CN)C1C)=NC(=O)CN"	"?"	"InChI=1S/C26H28N6O6/c1-14-18(7-4-8-19(14)29-21(33)12-27)16-5-3-6-17(11-16)26(32-25(37)38)10-9-20(30-22(34)13-28)23(15(26)2)31-24(35)36/h3-11,14,31-32H,12-13,27-28H2,1-2H3,(H,35,36)(H,37,38)"	"LOGNMBPMAMTFKP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"20769-36-2"	"DTXSID20174838"	"1-Butanone, 1-(10-(3-(dimethylamino)propyl)-10H-phenothiazin-2-yl)- (9CI)"	"EPA_DSSTox"	"CN(C)CCCN1C2C=C(C=CC=2SC2C=CC=CC1=2)C(=O)CCC"	"?"	"InChI=1S/C21H26N2OS/c1-4-8-19(24)16-11-12-21-18(15-16)23(14-7-13-22(2)3)17-9-5-6-10-20(17)25-21/h5-6,9-12,15H,4,7-8,13-14H2,1-3H3"	"GRVZGPLWLJJPKF-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"20769-85-1"	"DTXSID7045077"	"2-Bromo-2-methylpropionyl bromide"	"EPA_DSSTox"	"CC(C)(Br)C(=O)Br"	"?"	"InChI=1S/C4H6Br2O/c1-4(2,6)3(5)7/h1-2H3"	"YOCIJWAHRAJQFT-UHFFFAOYSA-N"	FALSE	NA	NA	NA	NA
"20780-49-8"	"DTXSID6051851"	"3,7-Dimethyl-1-octyl acetate"	"EPA_DSSTox"	"CC(C)CCCC(C)CCOC(C)=O"	"?"	"InChI=1S/C12H24O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h10-11H,5-9H2,1-4H3"	"XFPXWDJICXBWRU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2079-00-7"	"DTXSID0058015"	"Blasticidin-S"	"EPA_DSSTox"	"[H]/N=C1/C=CN(C2C=CC(/N=C(\O)/CC(N)CCN(C)/C(/N)=N/[H])C(O2)C(O)=O)C(O)=N/1"	"?"	"InChI=1S/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)"	"CXNPLSGKWMLZPZ-UHFFFAOYSA-N"	FALSE	FALSE	53.3	2	3
"2079-54-1"	NA	NA	"Public_CrossChecked"	"CC(CC1C=CC=CC=1)N(C)CC#C"	"Cl"	"InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3"	"MEZLKOACVSPNER-UHFFFAOYSA-N"	FALSE	FALSE	385	2	4
"2082-79-3"	"DTXSID8027456"	"Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCCOC(=O)CCC1C=C(C(O)=C(C=1)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"	FALSE	TRUE	NA	4	5
"2082-81-7"	"DTXSID4044870"	"Butane-1,4-diyl bis(2-methylprop-2-enoate)"	"EPA_DSSTox"	"CC(=C)C(=O)OCCCCOC(=O)C(C)=C"	"?"	"InChI=1S/C12H18O4/c1-9(2)11(13)15-7-5-6-8-16-12(14)10(3)4/h1,3,5-8H2,2,4H3"	"XOJWAAUYNWGQAU-UHFFFAOYSA-N"	TRUE	FALSE	10.066	1	2
"20830-75-5"	"DTXSID5022934"	"Digoxin"	"EPA_DSSTox"	"CC12CCC(CC1CCC1C2CC(O)C2(C)C(CCC21O)C1COC(=O)C=1)OC1CC(O)C(OC2CC(O)C(OC3CC(O)C(O)C(C)O3)C(C)O2)C(C)O1"	"?"	"InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3"	"LTMHDMANZUZIPE-UHFFFAOYSA-N"	TRUE	FALSE	28.27	1	2
"20846-91-7"	"DTXSID1051852"	"N,N'-Ethylenedi-L-aspartic acid"	"EPA_DSSTox"	"OC(=O)CC(NCCNC(CC(O)=O)C(O)=O)C(O)=O"	"?"	"InChI=1S/C10H16N2O8/c13-7(14)3-5(9(17)18)11-1-2-12-6(10(19)20)4-8(15)16/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)"	"VKZRWSNIWNFCIQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"208465-21-8"	"DTXSID6034712"	"Mesosulfuron-methyl"	"EPA_DSSTox"	"CS(=O)(=O)NCC1=CC(=C(C=C1)C(=O)OC)S(=O)(=O)NC(=O)NC1N=C(C=C(N=1)OC)OC"	"?"	"InChI=1S/C17H21N5O9S2/c1-29-13-8-14(30-2)20-16(19-13)21-17(24)22-33(27,28)12-7-10(9-18-32(4,25)26)5-6-11(12)15(23)31-3/h5-8,18H,9H2,1-4H3,(H2,19,20,21,22,24)"	"NIFKBBMCXCMCAO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"20856-57-9"	"DTXSID1041764"	"Chloraniformethane"	"EPA_DSSTox"	"O=CNC(NC1C=CC(Cl)=C(Cl)C=1)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C9H7Cl5N2O/c10-6-2-1-5(3-7(6)11)16-8(15-4-17)9(12,13)14/h1-4,8,16H,(H,15,17)"	"REEFSLKDEDEWAO-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"20866-13-1"	NA	NA	"Public_CrossChecked"	"CC1N(C2C=CC=CC=2)C(=O)C2C=CC=CC=2N1C(=O)CN1CCOCC1"	"Cl"	"InChI=1S/C21H23N3O3/c1-16-23(17-7-3-2-4-8-17)21(26)18-9-5-6-10-19(18)24(16)20(25)15-22-11-13-27-14-12-22/h2-10,16H,11-15H2,1H3"	"AFOCUYXEEUTSLC-UHFFFAOYSA-N"	FALSE	FALSE	1708	3	4
"2088-72-4"	"DTXSID5058016"	"Methylacetophos"	"EPA_DSSTox"	"CCOC(=O)CSP(=O)(OC)OC"	"?"	"InChI=1S/C6H13O5PS/c1-4-11-6(7)5-13-12(8,9-2)10-3/h4-5H2,1-3H3"	"LIXQYRZDAFGLSQ-UHFFFAOYSA-N"	FALSE	FALSE	385	2	4
"2089-46-5"	NA	NA	"Public_CrossChecked"	"CC(C)(C1=CC(CN2CCCCC2)=C(O)C(CN2CCCCC2)=C1)C1C=CC=CC=1"	"?"	"InChI=1S/C27H38N2O/c1-27(2,24-12-6-3-7-13-24)25-18-22(20-28-14-8-4-9-15-28)26(30)23(19-25)21-29-16-10-5-11-17-29/h3,6-7,12-13,18-19,30H,4-5,8-11,14-17,20-21H2,1-2H3"	"YXOUVYWIPMJZHD-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"2091-24-9"	NA	NA	"Public_CrossChecked"	"CCC=CCC=CCC=CCC=CCC=CCC=CCCC(O)=O"	"?"	"InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)"	"MBMBGCFOFBJSGT-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"20917-50-4"	"DTXSID90175074"	"1H-Azonine, octahydro-1-nitroso-"	"EPA_DSSTox"	"O=NN1CCCCCCCC1"	"?"	"InChI=1S/C8H16N2O/c11-9-10-7-5-3-1-2-4-6-8-10/h1-8H2"	"DTEBJZRWYBQINZ-UHFFFAOYSA-N"	FALSE	FALSE	566	3	4
"2094-99-7"	"DTXSID9044871"	"1-(2-Isocyanatopropan-2-yl)-3-(prop-1-en-2-yl)benzene"	"EPA_DSSTox"	"CC(=C)C1=CC(=CC=C1)C(C)(C)N=C=O"	"?"	"InChI=1S/C13H15NO/c1-10(2)11-6-5-7-12(8-11)13(3,4)14-9-15/h5-8H,1H2,2-4H3"	"ZVEMLYIXBCTVOF-UHFFFAOYSA-N"	FALSE	TRUE	3100	3	5
"20940-37-8"	"DTXSID5034305"	"Acetic acid, (2,4-dichlorophenoxy)-, compd. with N-ethylethanamine (1:1)"	"EPA_DSSTox"	"OC(=O)COC1C=CC(Cl)=CC=1Cl"	"N(CC)CC"	"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"	FALSE	FALSE	405	2	4
"20945-65-7"	"DTXSID60175122"	"Phenol, 2-chloro-4-(methylsulfonyl)-"	"EPA_DSSTox"	"CS(=O)(=O)C1C=C(Cl)C(O)=CC=1"	"?"	"InChI=1S/C7H7ClO3S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4,9H,1H3"	"NKCJTSDDCIJRLT-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"20954-12-5"	"DTXSID70175133"	"Benzoic acid, p-(3-(2-(dimethylamino)ethoxy)-1H-indazol-1-yl)-, butyl ester"	"EPA_DSSTox"	"CN(C)CCOC1=NN(C2C=CC=CC=21)C1C=CC(=CC=1)C(=O)OCCCC"	"?"	"InChI=1S/C22H27N3O3/c1-4-5-15-28-22(26)17-10-12-18(13-11-17)25-20-9-7-6-8-19(20)21(23-25)27-16-14-24(2)3/h6-13H,4-5,14-16H2,1-3H3"	"VZXXAZKSJMKSPJ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"20954-13-6"	"DTXSID30175134"	"Benzoic acid, p-(3-(2-(diethylamino)ethoxy)-1H-indazol-1-yl)-, butyl ester"	"EPA_DSSTox"	"CCCCOC(=O)C1C=CC(=CC=1)N1N=C(OCCN(CC)CC)C2C=CC=CC1=2"	"?"	"InChI=1S/C24H31N3O3/c1-4-7-17-30-24(28)19-12-14-20(15-13-19)27-22-11-9-8-10-21(22)23(25-27)29-18-16-26(5-2)6-3/h8-15H,4-7,16-18H2,1-3H3"	"GEGOSYSUUBBOQB-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"20954-14-7"	"DTXSID90175135"	"Benzoic acid, p-(3-(2-piperidinoethoxy)-1H-indazol-1-yl)-, butyl ester"	"EPA_DSSTox"	"CCCCOC(=O)C1C=CC(=CC=1)N1N=C(OCCN2CCCCC2)C2C=CC=CC1=2"	"?"	"InChI=1S/C25H31N3O3/c1-2-3-18-31-25(29)20-11-13-21(14-12-20)28-23-10-6-5-9-22(23)24(26-28)30-19-17-27-15-7-4-8-16-27/h5-6,9-14H,2-4,7-8,15-19H2,1H3"	"WNFPNMLOMZOGLE-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"20954-16-9"	"DTXSID10175137"	"Benzoic acid, p-(3-(3-piperidinopropoxy)-1H-indazol-1-yl)-, butyl ester"	"EPA_DSSTox"	"CCCCOC(=O)C1C=CC(=CC=1)N1N=C(OCCCN2CCCCC2)C2C=CC=CC1=2"	"?"	"InChI=1S/C26H33N3O3/c1-2-3-19-32-26(30)21-12-14-22(15-13-21)29-24-11-6-5-10-23(24)25(27-29)31-20-9-18-28-16-7-4-8-17-28/h5-6,10-15H,2-4,7-9,16-20H2,1H3"	"PIJRBHVNTJYRMN-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"2104-64-5"	"DTXSID7022174"	"EPN"	"EPA_DSSTox"	"CCOP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)C1C=CC=CC=1"	"?"	"InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3"	"AIGRXSNSLVJMEA-UHFFFAOYSA-N"	TRUE	FALSE	7	1	2
"2104-96-3"	"DTXSID1041683"	"Bromofos"	"EPA_DSSTox"	"COP(=S)(OC1=CC(Cl)=C(Br)C=C1Cl)OC"	"?"	"InChI=1S/C8H8BrCl2O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3"	"NYQDCVLCJXRDSK-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"21045-68-1"	"DTXSID10175258"	"Acrylic acid, ester with ethyl glycolate"	"EPA_DSSTox"	"CCOC(=O)COC(=O)C=C"	"?"	"InChI=1S/C7H10O4/c1-3-6(8)11-5-7(9)10-4-2/h3H,1,4-5H2,2H3"	"CGGLGGHHEKSTQY-UHFFFAOYSA-N"	FALSE	FALSE	215	2	3
"21062-28-2"	NA	NA	"Public_CrossChecked"	"CC1C=C(NC2CN(CCC2)CC)N=C(N=1)/N=C(\N)/NC1=CC(Cl)=C(Cl)C=C1"	"?"	"InChI=1S/C19H25Cl2N7/c1-3-28-8-4-5-14(11-28)24-17-9-12(2)23-19(26-17)27-18(22)25-13-6-7-15(20)16(21)10-13/h6-7,9-10,14H,3-5,8,11H2,1-2H3,(H4,22,23,24,25,26,27)"	"ULEFBGMSKLBBKF-UHFFFAOYSA-N"	FALSE	FALSE	1041	3	4
"21087-64-9"	"DTXSID6024204"	"Metribuzin"	"EPA_DSSTox"	"CSC1=NN=C(C(=O)N1N)C(C)(C)C"	"?"	"InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3"	"FOXFZRUHNHCZPX-UHFFFAOYSA-N"	FALSE	FALSE	322	2	4
"210880-92-5"	"DTXSID2034465"	"Clothianidin"	"EPA_DSSTox"	"CN/C(/NCC1=CN=C(Cl)S1)=N\[N+]([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"	FALSE	TRUE	NA	4	5
"2109-64-0"	NA	NA	"Public_CrossChecked"	"CC(O)CN(CCCC)CCCC"	"?"	"InChI=1S/C11H25NO/c1-4-6-8-12(9-7-5-2)10-11(3)13/h11,13H,4-10H2,1-3H3"	"ICMJHPBQTVWCNT-UHFFFAOYSA-N"	FALSE	FALSE	1990	3	4
"21124-13-0"	"DTXSID8066680"	"1-Triazene, 1-methyl-3-(4-methylphenyl)-"	"EPA_DSSTox"	"CC1C=CC(=CC=1)N/N=N/C"	"?"	"InChI=1S/C8H11N3/c1-7-3-5-8(6-4-7)10-11-9-2/h3-6H,1-2H3,(H,9,10)"	"DNGJVDGPCGXBFF-UHFFFAOYSA-N"	FALSE	FALSE	380.9	2	4
"2114-33-2"	"DTXSID30862835"	"Benzeneethanol, .alpha.-methyl-, 1-acetate"	"EPA_DSSTox"	"CC(=O)OC(C)CC1C=CC=CC=1"	"?"	"InChI=1S/C11H14O2/c1-9(13-10(2)12)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3"	"LOHDWLZDQXQLJA-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"21140-37-4"	"DTXSID60175384"	"(1,1'-Biphenyl)-4-ol, 3-((dimethylamino)methyl)-"	"EPA_DSSTox"	"CN(C)CC1C=C(C=CC=1O)C1C=CC=CC=1"	"?"	"InChI=1S/C15H17NO/c1-16(2)11-14-10-13(8-9-15(14)17)12-6-4-3-5-7-12/h3-10,17H,11H2,1-2H3"	"UGUSLDBGJORUJU-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"21145-77-7"	"DTXSID7041544"	"6-Acetyl-1,1,2,4,4,7-hexamethyltetralin"	"EPA_DSSTox"	"CC1C=C2C(=CC=1C(C)=O)C(C)(C)CC(C)C2(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"	FALSE	FALSE	920	3	4
"21173-27-3"	"DTXSID30175412"	"Nicotinic acid, p-methylphenethyl ester"	"EPA_DSSTox"	"CC1=CC=C(CCOC(=O)C2C=NC=CC=2)C=C1"	"?"	"InChI=1S/C15H15NO2/c1-12-4-6-13(7-5-12)8-10-18-15(17)14-3-2-9-16-11-14/h2-7,9,11H,8,10H2,1H3"	"VBKBPKQFPBNSKY-UHFFFAOYSA-N"	FALSE	TRUE	3501	3	5
"21187-98-4"	"DTXSID9023095"	"Gliclazide"	"EPA_DSSTox"	"CC1C=CC(=CC=1)S(=O)(=O)NC(=O)NN1CC2CCCC2C1"	"?"	"InChI=1S/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13H,2-4,9-10H2,1H3,(H2,16,17,19)"	"BOVGTQGAOIONJV-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"2121-12-2"	"DTXSID50175439"	"Ungeremine"	"EPA_DSSTox"	"OC1C=C2CC[N+]3=CC4=CC5OCOC=5C=C4C(C=1)=C32"	"?"	"InChI=1S/C16H11NO3/c18-11-3-9-1-2-17-7-10-4-14-15(20-8-19-14)6-12(10)13(5-11)16(9)17/h3-7H,1-2,8H2/p+1"	"DFQOXFIPAAMFAU-UHFFFAOYSA-O"	FALSE	FALSE	90	2	3
"21216-78-4"	"DTXSID8048781"	"Anacolin"	"EPA_DSSTox"	"C[N+]1(CC2COC(O2)(C2C=CC=CC=2)C2C=CC=CC=2)CCCCC1"	"[I-]"	"InChI=1S/C22H28NO2/c1-23(15-9-4-10-16-23)17-21-18-24-22(25-21,19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,21H,4,9-10,15-18H2,1H3/q+1"	"QZAHRIYYSZDPIS-UHFFFAOYSA-N"	FALSE	FALSE	1820	3	4
"2122-70-5"	"DTXSID3034583"	"Ethyl 1-naphthaleneacetate"	"EPA_DSSTox"	"CCOC(=O)CC1=CC=CC2=CC=CC=C21"	"?"	"InChI=1S/C14H14O2/c1-2-16-14(15)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,2,10H2,1H3"	"XIDPSKQLXKCVQN-UHFFFAOYSA-N"	FALSE	TRUE	3580	3	5
"2122-77-2"	"DTXSID70175451"	"Fenteracol [ISO]"	"EPA_DSSTox"	"OCCOC1C=C(Cl)C(Cl)=CC=1Cl"	"?"	"InChI=1S/C8H7Cl3O2/c9-5-3-7(11)8(4-6(5)10)13-2-1-12/h3-4,12H,1-2H2"	"ATKFMEGWDYLXBP-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"2123-24-2"	"DTXSID50890554"	"Sodium caprolactamate"	"EPA_DSSTox"	"O=C1CCCCCN1"	"[Na+]"	"InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)"	"JBKVHLHDHHXQEQ-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"21256-18-8"	"DTXSID1045118"	"Oxaprozin"	"EPA_DSSTox"	"OC(=O)CCC1=NC(=C(O1)C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)"	"OFPXSFXSNFPTHF-UHFFFAOYSA-N"	FALSE	TRUE	4470	3	5
"21259-20-1"	"DTXSID6021298"	"T-2 toxin"	"EPA_DSSTox"	"CC12C(OC(C)=O)C(O)C(OC3C=C(C)C(CC13COC(C)=O)OC(=O)CC(C)C)C12CO1"	"?"	"InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3"	"BXFOFFBJRFZBQZ-UHFFFAOYSA-N"	TRUE	FALSE	2.7	1	1
"2126-84-3"	NA	NA	"Public_CrossChecked"	"CC(NN)C1C=CC=CC=1"	"C(=O)(C(=O)O)O"	"InChI=1S/C8H12N2/c1-7(10-9)8-5-3-2-4-6-8/h2-7,10H,9H2,1H3"	"HHRZAEJMHSGZNP-UHFFFAOYSA-N"	FALSE	FALSE	458	2	4
"21267-72-1"	"DTXSID7042350"	"Prynachlor"	"EPA_DSSTox"	"CC(C#C)N(C(=O)CCl)C1C=CC=CC=1"	"?"	"InChI=1S/C12H12ClNO/c1-3-10(2)14(12(15)9-13)11-7-5-4-6-8-11/h1,4-8,10H,9H2,2H3"	"DGPBHERUGBOSFZ-UHFFFAOYSA-N"	FALSE	FALSE	1170	3	4
"21269-98-7"	NA	NA	"Public_CrossChecked"	"CCCCOC(CBr)C1C=CC=CC=1"	"?"	"InChI=1S/C12H17BrO/c1-2-3-9-14-12(10-13)11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3"	"NNVKBBAQDRJHTJ-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"21269-99-8"	NA	NA	"Public_CrossChecked"	"CC(CC)OC(CBr)C1C=CC=CC=1"	"?"	"InChI=1S/C12H17BrO/c1-3-10(2)14-12(9-13)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3"	"GSTYZNBELHTTJX-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"2127-01-7"	"DTXSID4057683"	"Chlorexolone"	"EPA_DSSTox"	"NS(=O)(=O)C1=CC2=C(CN(C3CCCCC3)C2=O)C=C1Cl"	"?"	"InChI=1S/C14H17ClN2O3S/c15-12-6-9-8-17(10-4-2-1-3-5-10)14(18)11(9)7-13(12)21(16,19)20/h6-7,10H,1-5,8H2,(H2,16,19,20)"	"VPMWFZKOWULPGT-UHFFFAOYSA-N"	FALSE	TRUE	6000	4	5
"21270-00-8"	NA	NA	"Public_CrossChecked"	"CCCCC(COC(CBr)C1C=CC=CC=1)CC"	"?"	"InChI=1S/C16H25BrO/c1-3-5-9-14(4-2)13-18-16(12-17)15-10-7-6-8-11-15/h6-8,10-11,14,16H,3-5,9,12-13H2,1-2H3"	"MJFXWVHYGDHZQJ-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"21270-02-0"	NA	NA	"Public_CrossChecked"	"CCCCC(COC(CBr)C1C=CC=C(Cl)C=1)CC"	"?"	"InChI=1S/C16H24BrClO/c1-3-5-7-13(4-2)12-19-16(11-17)14-8-6-9-15(18)10-14/h6,8-10,13,16H,3-5,7,11-12H2,1-2H3"	"PGANQLHZZXCHNV-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"21270-03-1"	NA	NA	"Public_CrossChecked"	"CCCCC(COC(CBr)C1=CC(Cl)=C(Cl)C=C1)CC"	"?"	"InChI=1S/C16H23BrCl2O/c1-3-5-6-12(4-2)11-20-16(10-17)13-7-8-14(18)15(19)9-13/h7-9,12,16H,3-6,10-11H2,1-2H3"	"CKKAOYZJQSSGDR-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"21270-04-2"	NA	NA	"Public_CrossChecked"	"CC(C)C1=CC=C(C=C1)C(CBr)OCCCCC"	"?"	"InChI=1S/C16H25BrO/c1-4-5-6-11-18-16(12-17)15-9-7-14(8-10-15)13(2)3/h7-10,13,16H,4-6,11-12H2,1-3H3"	"KZITVTXPXQHLJX-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"21270-06-4"	NA	NA	"Public_CrossChecked"	"CCCCCCCCOC(CBr)C1C=CC(=CC=1)C(C)(C)C"	"?"	"InChI=1S/C20H33BrO/c1-5-6-7-8-9-10-15-22-19(16-21)17-11-13-18(14-12-17)20(2,3)4/h11-14,19H,5-10,15-16H2,1-4H3"	"BRTMPQQLYHLSIL-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"21270-07-5"	NA	NA	"Public_CrossChecked"	"CCCCC(COC(CBr)C1=CC=C(CCCCCC)C=C1)CC"	"?"	"InChI=1S/C22H37BrO/c1-4-7-9-10-12-20-13-15-21(16-14-20)22(17-23)24-18-19(6-3)11-8-5-2/h13-16,19,22H,4-12,17-18H2,1-3H3"	"JKAKCOCHORQLRD-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"21270-08-6"	NA	NA	"Public_CrossChecked"	"CCCCOC(CBr)C1=CC=C(CCCCCCCC)C=C1"	"?"	"InChI=1S/C20H33BrO/c1-3-5-7-8-9-10-11-18-12-14-19(15-13-18)20(17-21)22-16-6-4-2/h12-15,20H,3-11,16-17H2,1-2H3"	"YYRCXESEJNIQEI-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"21270-10-0"	NA	NA	"Public_CrossChecked"	"CCCCCOC(CBr)C1C=CC(=CC=1)C1CCCC1"	"?"	"InChI=1S/C18H27BrO/c1-2-3-6-13-20-18(14-19)17-11-9-16(10-12-17)15-7-4-5-8-15/h9-12,15,18H,2-8,13-14H2,1H3"	"NSRBWYLAMGREAT-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"21270-11-1"	NA	NA	"Public_CrossChecked"	"CCCCCCCCOC(CBr)C1C=CC(=CC=1)C1CCCC1"	"?"	"InChI=1S/C21H33BrO/c1-2-3-4-5-6-9-16-23-21(17-22)20-14-12-19(13-15-20)18-10-7-8-11-18/h12-15,18,21H,2-11,16-17H2,1H3"	"XMQUNVBBVDFHCX-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"21270-12-2"	NA	NA	"Public_CrossChecked"	"CCCCC(COC(CBr)C1C=CC(=CC=1)C1CCCC1)CC"	"?"	"InChI=1S/C21H33BrO/c1-3-5-8-17(4-2)16-23-21(15-22)20-13-11-19(12-14-20)18-9-6-7-10-18/h11-14,17-18,21H,3-10,15-16H2,1-2H3"	"BHVWTVKOTBMWHO-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"21270-14-4"	NA	NA	"Public_CrossChecked"	"CCCCCCOC(CBr)C1C=CC(=CC=1)C1CCCCC1"	"?"	"InChI=1S/C20H31BrO/c1-2-3-4-8-15-22-20(16-21)19-13-11-18(12-14-19)17-9-6-5-7-10-17/h11-14,17,20H,2-10,15-16H2,1H3"	"GIGMFWUAGKVVPT-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"21270-15-5"	NA	NA	"Public_CrossChecked"	"CCCCCCCCOC(CBr)C1C=CC(=CC=1)C1CCCCC1"	"?"	"InChI=1S/C22H35BrO/c1-2-3-4-5-6-10-17-24-22(18-23)21-15-13-20(14-16-21)19-11-8-7-9-12-19/h13-16,19,22H,2-12,17-18H2,1H3"	"AGOPOGYONHCVPM-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"21270-16-6"	NA	NA	"Public_CrossChecked"	"CCCCC(COC(CBr)C1C=CC(=CC=1)C1CCCCC1)CC"	"?"	"InChI=1S/C22H35BrO/c1-3-5-9-18(4-2)17-24-22(16-23)21-14-12-20(13-15-21)19-10-7-6-8-11-19/h12-15,18-19,22H,3-11,16-17H2,1-2H3"	"CMWAPSONCIOZMU-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"21270-19-9"	NA	NA	"Public_CrossChecked"	"CCC(COC(C[N+]1C=CC=CC=1)C1C=CC=CC=1)CCCC"	"[Br-]"	"InChI=1S/C21H30NO/c1-3-5-12-19(4-2)18-23-21(20-13-8-6-9-14-20)17-22-15-10-7-11-16-22/h6-11,13-16,19,21H,3-5,12,17-18H2,1-2H3/q+1"	"IDCKQYUMKVTFBL-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"21270-20-2"	NA	NA	"Public_CrossChecked"	"CC(CC)OC(C[N+]1C=CC=CC=1)C1C=CC(Cl)=CC=1"	"[Br-]"	"InChI=1S/C17H21ClNO/c1-3-14(2)20-17(13-19-11-5-4-6-12-19)15-7-9-16(18)10-8-15/h4-12,14,17H,3,13H2,1-2H3/q+1"	"OEECGRKEUOSKGG-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"21270-21-3"	NA	NA	"Public_CrossChecked"	"CC(CC)OC(C[N+]1C=CC=CC=1)C1C=CC=C(Cl)C=1"	"[Br-]"	"InChI=1S/C17H21ClNO/c1-3-14(2)20-17(13-19-10-5-4-6-11-19)15-8-7-9-16(18)12-15/h4-12,14,17H,3,13H2,1-2H3/q+1"	"JIJRPCQJJABYHB-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"21270-25-7"	NA	NA	"Public_CrossChecked"	"CC(C)C1=CC=C(C=C1)C(C[N+]1C=CC=CC=1)OCCCCCCCCCCCC"	"[Br-]"	"InChI=1S/C28H44NO/c1-4-5-6-7-8-9-10-11-12-16-23-30-28(24-29-21-14-13-15-22-29)27-19-17-26(18-20-27)25(2)3/h13-15,17-22,25,28H,4-12,16,23-24H2,1-3H3/q+1"	"QMBFRZKOIOBFEQ-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"21270-33-7"	NA	NA	"Public_CrossChecked"	"CCCCCCOC(C[N+]1C=CC=CC=1)C1C=CC(=CC=1)C1CCCCC1"	"[Br-]"	"InChI=1S/C25H36NO/c1-2-3-4-11-20-27-25(21-26-18-9-6-10-19-26)24-16-14-23(15-17-24)22-12-7-5-8-13-22/h6,9-10,14-19,22,25H,2-5,7-8,11-13,20-21H2,1H3/q+1"	"OIWACJLDIGKAOC-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"21280-29-5"	"DTXSID60864983"	"3,8a-Ethano-8aH-1-benzopyran-2(3H)-one, hexahydro-3,5,5-trimethyl-"	"EPA_DSSTox"	"CC1(C)CCCC23CCC(C)(CC12)C(=O)O3"	"?"	"InChI=1S/C14H22O2/c1-12(2)5-4-6-14-8-7-13(3,9-10(12)14)11(15)16-14/h10H,4-9H2,1-3H3"	"TUVXRDNMAFEUBI-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"21282-97-3"	"DTXSID7041388"	"2-[Methacryloyloxy]ethyl acetoacetate"	"EPA_DSSTox"	"CC(=O)CC(=O)OCCOC(=O)C(C)=C"	"?"	"InChI=1S/C10H14O5/c1-7(2)10(13)15-5-4-14-9(12)6-8(3)11/h1,4-6H2,2-3H3"	"IBDVWXAVKPRHCU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"21312-10-7"	"DTXSID8049044"	"N-Acetyl sulfamethoxazole"	"EPA_DSSTox"	"CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1C=C(C)ON=1"	"?"	"InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)"	"GXPIUNZCALHVBA-UHFFFAOYSA-N"	FALSE	TRUE	8400	4	5
"21327-31-1"	NA	NA	"Public_CrossChecked"	"Cc1cc(cc(=O)[n]1CCC)OP(=S)(OCC)OCC"	"?"	"InChI=1S/C13H22NO4PS/c1-5-8-14-11(4)9-12(10-13(14)15)18-19(20,16-6-2)17-7-3/h9-10H,5-8H2,1-4H3"	"HKRGNMRSLBMGGM-UHFFFAOYSA-N"	TRUE	FALSE	9.75	1	2
"21335-43-3"	"DTXSID20175603"	"Methanesulfonamide, 1-chloro-"	"EPA_DSSTox"	"NS(=O)(=O)CCl"	"?"	"InChI=1S/CH4ClNO2S/c2-1-6(3,4)5/h1H2,(H2,3,4,5)"	"AVXHCUKQISJQBN-UHFFFAOYSA-N"	FALSE	TRUE	6050	4	5
"21342-85-8"	NA	NA	"Public_CrossChecked"	"CC1C(CC(Cl)C#N)=CC=CC=1Cl"	"?"	"InChI=1S/C10H9Cl2N/c1-7-8(5-9(11)6-13)3-2-4-10(7)12/h2-4,9H,5H2,1H3"	"YYJUXSGXHHPBTK-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"213464-77-8"	"DTXSID4034788"	"Orthosulfamuron"	"EPA_DSSTox"	"COC1=CC(=NC(NC(=O)NS(=O)(=O)NC2C=CC=CC=2C(=O)N(C)C)=N1)OC"	"?"	"InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)"	"UCDPMNSCCRBWIC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"21351-39-3"	"DTXSID4027816"	"Urea, sulfate (1:1)"	"EPA_DSSTox"	"OS(O)(=O)=O"	"C(=O)(N)N"	"InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)"	"QAOWNCQODCNURD-UHFFFAOYSA-N"	FALSE	FALSE	350	2	4
"2136-79-0"	"DTXSID3039400"	"Chlorthal"	"EPA_DSSTox"	"OC(=O)C1=C(Cl)C(Cl)=C(C(Cl)=C1Cl)C(O)=O"	"?"	"InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)"	"KZCBXHSWMMIEQU-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"21395-07-3"	NA	NA	"Public_CrossChecked"	"CC(CC)OC(CBr)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C12H16BrClO/c1-3-9(2)15-12(8-13)10-4-6-11(14)7-5-10/h4-7,9,12H,3,8H2,1-2H3"	"UTCJQORVQSCRJO-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"21409-78-9"	"DTXSID8073427"	"Phosphorothioic acid, O-(1,2-dihydro-1,6-dimethyl-2-oxo-4-pyridinyl) O,O-diethyl ester"	"EPA_DSSTox"	"CC1=CC(=CC(=O)N1C)OP(=S)(OCC)OCC"	"?"	"InChI=1S/C11H18NO4PS/c1-5-14-17(18,15-6-2)16-10-7-9(3)12(4)11(13)8-10/h7-8H,5-6H2,1-4H3"	"ORTBUFDZRIXVTA-UHFFFAOYSA-N"	TRUE	FALSE	5.97	1	2
"2141-62-0"	"DTXSID0051861"	"3-Ethoxypropiononitrile"	"EPA_DSSTox"	"CCOCCC#N"	"?"	"InChI=1S/C5H9NO/c1-2-7-5-3-4-6/h2-3,5H2,1H3"	"DCWQZPJHHVLHSV-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"21410-51-5"	NA	NA	"Public_CrossChecked"	"COP(=S)(OC1=CC(Cl)=C(C=C1)S(=O)(=O)N(CC)CC)OC"	"?"	"InChI=1S/C12H19ClNO5PS2/c1-5-14(6-2)22(15,16)12-8-7-10(9-11(12)13)19-20(21,17-3)18-4/h7-9H,5-6H2,1-4H3"	"BASLHEYUURTCNQ-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"21413-28-5"	"DTXSID80175684"	"PC-796"	"EPA_DSSTox"	"O=S(=O)(C1C=CC=CC=1)N1C(=O)NC(=O)C1(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C21H16N2O4S/c24-19-21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)23(20(25)22-19)28(26,27)18-14-8-3-9-15-18/h1-15H,(H,22,24,25)"	"WMIAQXWVZFAYQL-UHFFFAOYSA-N"	FALSE	FALSE	1700	3	4
"21436-96-4"	"DTXSID2021448"	"2,4-Dimethylaniline hydrochloride"	"EPA_DSSTox"	"CC1=CC(C)=C(N)C=C1"	"Cl"	"InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3"	"CZZZABOKJQXEBO-UHFFFAOYSA-N"	FALSE	FALSE	1259	3	4
"21436-97-5"	"DTXSID4021399"	"2,4,5-Trimethylaniline hydrochloride"	"EPA_DSSTox"	"CC1C=C(C)C(C)=CC=1N"	"Cl"	"InChI=1S/C9H13N/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,10H2,1-3H3"	"BMIPMKQAAJKBKP-UHFFFAOYSA-N"	FALSE	FALSE	1585	3	4
"2144-53-8"	"DTXSID3047558"	"Tridecafluorohexylethyl methacrylate"	"EPA_DSSTox"	"CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	"?"	"InChI=1S/C12H9F13O2/c1-5(2)6(26)27-4-3-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h1,3-4H2,2H3"	"CDXFIRXEAJABAZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"21452-18-6"	"DTXSID50175732"	"Metsulfovax [ISO]"	"EPA_DSSTox"	"CC1=NC(C)=C(S1)C(=O)NC1C=CC=CC=1"	"?"	"InChI=1S/C12H12N2OS/c1-8-11(16-9(2)13-8)12(15)14-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,14,15)"	"UDSJPFPDKCMYBD-UHFFFAOYSA-N"	FALSE	TRUE	3929	3	5
"2146-71-6"	"DTXSID7074953"	"Dodecanoic acid, ethenyl ester"	"EPA_DSSTox"	"CCCCCCCCCCCC(=O)OC=C"	"?"	"InChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h4H,2-3,5-13H2,1H3"	"GLVVKKSPKXTQRB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"21462-39-5"	"DTXSID4045428"	"Clindamycin hydrochloride"	"EPA_DSSTox"	"CC(Cl)C(NC(=O)C1CC(CCC)CN1C)C1OC(SC)C(O)C(O)C1O"	"Cl"	"InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)"	"KDLRVYVGXIQJDK-UHFFFAOYSA-N"	FALSE	TRUE	2193	3	5
"21466-07-9"	"DTXSID40175746"	"Bromofenofos"	"EPA_DSSTox"	"OC1C(Br)=CC(Br)=CC=1C1=CC(Br)=CC(Br)=C1OP(O)(O)=O"	"?"	"InChI=1S/C12H7Br4O5P/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)21-22(18,19)20/h1-4,17H,(H2,18,19,20)"	"MMYHZEDBTMXYAF-UHFFFAOYSA-N"	FALSE	FALSE	142	2	3
"21491-20-3"	NA	NA	"Public_CrossChecked"	"C1OC(OCC1(C1C=CC=CC=1)C1C=CC=CC=1)(C1CCCCN1)C1C=CC=CC=1"	"?"	"InChI=1S/C27H29NO2/c1-4-12-22(13-5-1)26(23-14-6-2-7-15-23)20-29-27(30-21-26,24-16-8-3-9-17-24)25-18-10-11-19-28-25/h1-9,12-17,25,28H,10-11,18-21H2"	"MLGCFPJCQZKRCK-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"21492-45-5"	NA	NA	"Public_CrossChecked"	"COC1C=CC=CC=1OC1CN(CC1)CCCC(=O)C1=CC=C(F)C=C1"	"Cl"	"InChI=1S/C21H24FNO3/c1-25-20-6-2-3-7-21(20)26-18-12-14-23(15-18)13-4-5-19(24)16-8-10-17(22)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3"	"DBSZFOMWGPKWPJ-UHFFFAOYSA-N"	FALSE	FALSE	241	2	3
"2152-44-5"	"DTXSID7022673"	"Betamethasone valerate"	"EPA_DSSTox"	"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(OC(=O)CCCC)C(=O)CO"	"?"	"InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3"	"SNHRLVCMMWUAJD-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"21531-91-9"	NA	NA	"Public_CrossChecked"	"CCCC(O)CCO"	"?"	"InChI=1S/C6H14O2/c1-2-3-6(8)4-5-7/h6-8H,2-5H2,1H3"	"AVIYEYCFMVPYST-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"21535-47-7"	NA	NA	"Public_CrossChecked"	"CN1CCN2C(C1)C1C=CC=CC=1CC1C=CC=CC2=1"	"Cl"	"InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3"	"UEQUQVLFIPOEMF-UHFFFAOYSA-N"	FALSE	FALSE	780	3	4
"21540-35-2"	"DTXSID7042140"	"Methiuron"	"EPA_DSSTox"	"CC1C=C(C=CC=1)NC(=S)N(C)C"	"?"	"InChI=1S/C10H14N2S/c1-8-5-4-6-9(7-8)11-10(13)12(2)3/h4-7H,1-3H3,(H,11,13)"	"MMCJEAKINANSOL-UHFFFAOYSA-N"	FALSE	TRUE	2200	3	5
"21548-32-3"	"DTXSID4041993"	"Fosthietan"	"EPA_DSSTox"	"CCOP(=O)(N=C1SCS1)OCC"	"?"	"InChI=1S/C6H12NO3PS2/c1-3-9-11(8,10-4-2)7-6-12-5-13-6/h3-5H2,1-2H3"	"RHJOIOVESMTJEK-UHFFFAOYSA-N"	TRUE	FALSE	4.7	1	1
"21550-30-1"	"DTXSID40175887"	"Pirifibrate hydrochloride"	"EPA_DSSTox"	"CC(C)(OC1C=CC(Cl)=CC=1)C(=O)OCC1C=CC=C(CO)N=1"	"Cl"	"InChI=1S/C17H18ClNO4/c1-17(2,23-15-8-6-12(18)7-9-15)16(21)22-11-14-5-3-4-13(10-20)19-14/h3-9,20H,10-11H2,1-2H3"	"YJBIJSVYPHRVCI-UHFFFAOYSA-N"	FALSE	FALSE	1250	3	4
"21554-20-1"	NA	NA	"Public_CrossChecked"	"CC1=CC(C=C(C)C1=O)N=NC1C=CC(N)=CC=1"	"?"	"InChI=1S/C14H15N3O/c1-9-7-13(8-10(2)14(9)18)17-16-12-5-3-11(15)4-6-12/h3-8,13H,15H2,1-2H3"	"RGYWKHVHXWESGZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"2156-56-1"	"DTXSID8037207"	"Sodium dichloroacetate"	"EPA_DSSTox"	"OC(=O)C(Cl)Cl"	"[Na+]"	"InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)"	"JXTHNDFMNIQAHM-UHFFFAOYSA-N"	FALSE	TRUE	5281	4	5
"2156-96-9"	"DTXSID9044873"	"Decyl prop-2-enoate"	"EPA_DSSTox"	"CCCCCCCCCCOC(=O)C=C"	"?"	"InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h4H,2-3,5-12H2,1H3"	"FWLDHHJLVGRRHD-UHFFFAOYSA-N"	FALSE	TRUE	6460	4	5
"21564-17-0"	"DTXSID6032647"	"2-(Thiocyanomethylthio)benzothiazole"	"EPA_DSSTox"	"N#CSCSC1=NC2C=CC=CC=2S1"	"?"	"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"	FALSE	FALSE	679	3	4
"21564-60-3"	NA	NA	"Public_CrossChecked"	"CC(O)CNC(C)(C)CC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C13H20ClNO/c1-10(16)9-15-13(2,3)8-11-4-6-12(14)7-5-11/h4-7,10,15-16H,8-9H2,1-3H3"	"DUJCNGWLFREXBE-UHFFFAOYSA-N"	FALSE	FALSE	150	2	3
"21564-62-5"	NA	NA	"Public_CrossChecked"	"CC(O)CNC(C)(C)CC1C=CC=CC=1"	"?"	"InChI=1S/C13H21NO/c1-11(15)10-14-13(2,3)9-12-7-5-4-6-8-12/h4-8,11,14-15H,9-10H2,1-3H3"	"QHESLVVDHLELBB-UHFFFAOYSA-N"	FALSE	FALSE	350	2	4
"2157-19-9"	"DTXSID70862854"	"Bicyclo[2.2.1]hept-5-ene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-"	"EPA_DSSTox"	"OCC1C(CO)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl"	"?"	"InChI=1S/C9H8Cl6O2/c10-5-6(11)8(13)4(2-17)3(1-16)7(5,12)9(8,14)15/h3-4,16-17H,1-2H2"	"GTSJHTSVFKEASK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"21580-07-4"	"DTXSID20175941"	"Methoxyphenyl piperazinyl"	"EPA_DSSTox"	"COC1C=CC=CC=1N1CCN(CCC(=O)C2=CC=C(C=C2)N2CCOCC2)CC1"	"Cl.Cl"	"InChI=1S/C24H31N3O3/c1-29-24-5-3-2-4-22(24)27-14-12-25(13-15-27)11-10-23(28)20-6-8-21(9-7-20)26-16-18-30-19-17-26/h2-9H,10-19H2,1H3"	"DNLVXKJWDZQSKC-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"21590-92-1"	"DTXSID4048800"	"Etomidoline"	"EPA_DSSTox"	"CCN1C(NC2C=CC(=CC=2)OCCN2CCCCC2)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C23H29N3O2/c1-2-26-22(20-8-4-5-9-21(20)23(26)27)24-18-10-12-19(13-11-18)28-17-16-25-14-6-3-7-15-25/h4-5,8-13,22,24H,2-3,6-7,14-17H2,1H3"	"ITIONVBQFUNVJV-UHFFFAOYSA-N"	FALSE	FALSE	695	3	4
"21593-23-7"	"DTXSID9022784"	"Cephapirin"	"EPA_DSSTox"	"CC(=O)OCC1CSC2C(NC(=O)CSC3C=CN=CC=3)C(=O)N2C=1C(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"	FALSE	TRUE	16356	4	5
"2160-93-2"	"DTXSID8029230"	"2,2'-(tert-Butylimino)diethanol"	"EPA_DSSTox"	"CC(C)(C)N(CCO)CCO"	"?"	"InChI=1S/C8H19NO2/c1-8(2,3)9(4-6-10)5-7-11/h10-11H,4-7H2,1-3H3"	"XHJGXOOOMKCJPP-UHFFFAOYSA-N"	FALSE	TRUE	2717	3	5
"21600-43-1"	NA	NA	"Public_CrossChecked"	"CCN(CC)N=NC1=CN=CC=C1"	"?"	"InChI=1S/C9H14N4/c1-3-13(4-2)12-11-9-6-5-7-10-8-9/h5-8H,3-4H2,1-2H3"	"MCAIXMIIMYVJOQ-UHFFFAOYSA-N"	FALSE	FALSE	210	2	3
"21608-06-0"	"DTXSID3066716"	".beta.-Alanine, N-ethyl-N-phenyl-, methyl ester"	"EPA_DSSTox"	"CCN(CCC(=O)OC)C1C=CC=CC=1"	"?"	"InChI=1S/C12H17NO2/c1-3-13(10-9-12(14)15-2)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3"	"AGKYCLGMYBHGSV-UHFFFAOYSA-N"	FALSE	TRUE	2450	3	5
"21609-90-5"	"DTXSID3040279"	"Leptophos"	"EPA_DSSTox"	"COP(=S)(OC1=CC(Cl)=C(Br)C=C1Cl)C1C=CC=CC=1"	"?"	"InChI=1S/C13H10BrCl2O2PS/c1-17-19(20,9-5-3-2-4-6-9)18-13-8-11(15)10(14)7-12(13)16/h2-8H,1H3"	"CVRALZAYCYJELZ-UHFFFAOYSA-N"	TRUE	FALSE	19	1	2
"2162-73-4"	"DTXSID40176011"	"2,4,6-Triisopropyl-m-phenylene diisocyanate"	"EPA_DSSTox"	"CC(C)C1=CC(C(C)C)=C(N=C=O)C(C(C)C)=C1N=C=O"	"?"	"InChI=1S/C17H22N2O2/c1-10(2)13-7-14(11(3)4)17(19-9-21)15(12(5)6)16(13)18-8-20/h7,10-12H,1-6H3"	"AZAKSPACDDRBQB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"2163-00-0"	"DTXSID9044409"	"1,6-Dichlorohexane"	"EPA_DSSTox"	"ClCCCCCCCl"	"?"	"InChI=1S/C6H12Cl2/c7-5-3-1-2-4-6-8/h1-6H2"	"OVISMSJCKCDOPU-UHFFFAOYSA-N"	FALSE	TRUE	2675	3	5
"2163-42-0"	"DTXSID3029231"	"2-Methylpropane-1,3-diol"	"EPA_DSSTox"	"CC(CO)CO"	"?"	"InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3"	"QWGRWMMWNDWRQN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2164-08-1"	"DTXSID9042093"	"Lenacil"	"EPA_DSSTox"	"O=C1C2CCCC=2NC(=O)N1C1CCCCC1"	"?"	"InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)"	"ZTMKADLOSYKWCA-UHFFFAOYSA-N"	FALSE	TRUE	11000	4	5
"2164-09-2"	"DTXSID2020424"	"Chloranocryl"	"EPA_DSSTox"	"CC(=C)C(=O)NC1=CC(Cl)=C(Cl)C=C1"	"?"	"InChI=1S/C10H9Cl2NO/c1-6(2)10(14)13-7-3-4-8(11)9(12)5-7/h3-5H,1H2,2H3,(H,13,14)"	"VCBRBUKGTWLJOB-UHFFFAOYSA-N"	FALSE	FALSE	1800	3	4
"2164-17-2"	"DTXSID8020628"	"Fluometuron"	"EPA_DSSTox"	"CN(C)C(=O)NC1C=C(C=CC=1)C(F)(F)F"	"?"	"InChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)"	"RZILCCPWPBTYDO-UHFFFAOYSA-N"	FALSE	FALSE	1450	3	4
"21673-83-6"	NA	NA	"Public_CrossChecked"	"CC1N=C(N)SC=1C(=O)N(C(C)C)C(C)C"	"?"	"InChI=1S/C11H19N3OS/c1-6(2)14(7(3)4)10(15)9-8(5)13-11(12)16-9/h6-7H,1-5H3,(H2,12,13)"	"JJWVXDOQOBNZSU-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"21673-86-9"	"DTXSID60176058"	"5-Thiazolecarboxamide, 2-amino-N-(2,6-diethylphenyl)-4-methyl-"	"EPA_DSSTox"	"CC1N=C(N)SC=1C(=O)NC1C(CC)=CC=CC=1CC"	"?"	"InChI=1S/C15H19N3OS/c1-4-10-7-6-8-11(5-2)12(10)18-14(19)13-9(3)17-15(16)20-13/h6-8H,4-5H2,1-3H3,(H2,16,17)(H,18,19)"	"SFJYLCPNDMGUJU-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"21677-26-9"	NA	NA	"Public_CrossChecked"	"CC(=O)NC1=CC(=CC=C1)N=NC1C=CC(=CC=1)N(C)C"	"?"	"InChI=1S/C16H18N4O/c1-12(21)17-14-5-4-6-15(11-14)19-18-13-7-9-16(10-8-13)20(2)3/h4-11H,1-3H3,(H,17,21)"	"JUKUYSKUPSEYKO-UHFFFAOYSA-N"	FALSE	TRUE	5910	4	5
"2169-64-4"	"DTXSID1022635"	"6-Azaribine"	"EPA_DSSTox"	"CC(=O)OC1C(OC(C)=O)C(COC(C)=O)OC1N1N=CC(=O)NC1=O"	"?"	"InChI=1S/C14H17N3O9/c1-6(18)23-5-9-11(24-7(2)19)12(25-8(3)20)13(26-9)17-14(22)16-10(21)4-15-17/h4,9,11-13H,5H2,1-3H3,(H,16,21,22)"	"QQOBRRFOVWGIMD-UHFFFAOYSA-N"	FALSE	TRUE	12000	4	5
"2169-75-7"	"DTXSID4045557"	"Deptropine citrate"	"EPA_DSSTox"	"CN1C2CC(CC1CC2)OC1C2C=CC=CC=2CCC2C=CC=CC=21"	"OC(=O)CC(O)(CC(O)=O)C(O)=O"	"InChI=1S/C23H27NO/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23/h2-9,18-20,23H,10-15H2,1H3"	"ZWPODSUQWXAZNC-UHFFFAOYSA-N"	FALSE	FALSE	445	2	4
"21697-42-7"	"DTXSID50176082"	"5-Thiazolecarboxamide, 2-amino-4-methyl-N-(2,4,6-trimethylphenyl)-"	"EPA_DSSTox"	"CC1C=C(C)C=C(C)C=1NC(=O)C1SC(N)=NC=1C"	"?"	"InChI=1S/C14H17N3OS/c1-7-5-8(2)11(9(3)6-7)17-13(18)12-10(4)16-14(15)19-12/h5-6H,1-4H3,(H2,15,16)(H,17,18)"	"NJHVQEJXKUFUMU-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"21700-31-2"	"DTXSID60541282"	"1,1,1,2,3-Pentachloropropane"	"EPA_DSSTox"	"ClCC(Cl)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C3H3Cl5/c4-1-2(5)3(6,7)8/h2H,1H2"	"ZXPCCXXSNUIVNK-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"21709-44-4"	"DTXSID00176097"	"Carbamic acid, dimethyl-, O-(1,3-dithiolan-2-yl)phenyl ester"	"EPA_DSSTox"	"CN(C)C(=O)OC1C=CC=CC=1C1SCCS1"	"?"	"InChI=1S/C12H15NO2S2/c1-13(2)12(14)15-10-6-4-3-5-9(10)11-16-7-8-17-11/h3-6,11H,7-8H2,1-2H3"	"GZVHRGJOULANNQ-UHFFFAOYSA-N"	TRUE	FALSE	16	1	2
"21715-46-8"	NA	NA	"Public_CrossChecked"	"CCNC1=NC2C=CC(Cl)=CC=2C(C)(O1)C1C=CC=CC=1"	"?"	"InChI=1S/C17H17ClN2O/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,20)"	"IBYCYJFUEJQSMK-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"21721-92-6"	"DTXSID2048826"	"Nitrefazole"	"EPA_DSSTox"	"CC1=NC(=CN1C1C=CC(=CC=1)[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C10H8N4O4/c1-7-11-10(14(17)18)6-12(7)8-2-4-9(5-3-8)13(15)16/h2-6H,1H3"	"NMTBSNPBIGRZBL-UHFFFAOYSA-N"	FALSE	TRUE	4813	3	5
"21722-83-8"	"DTXSID3047188"	"2-Cyclohexylethyl acetate"	"EPA_DSSTox"	"CC(=O)OCCC1CCCCC1"	"?"	"InChI=1S/C10H18O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3"	"NOTFZGFABLVTIG-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"21725-46-2"	"DTXSID1023990"	"Cyanazine"	"EPA_DSSTox"	"CCNC1N=C(NC(C)(C)C#N)N=C(Cl)N=1"	"?"	"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"	FALSE	FALSE	149	2	3
"21725-69-9"	"DTXSID80176116"	"1,2-Benzisoxazol-3-ol (8CI)"	"EPA_DSSTox"	"O=C1NOC2C=CC=CC=21"	"?"	"InChI=1S/C7H5NO2/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)"	"QLDQYRDCPNBPII-UHFFFAOYSA-N"	FALSE	TRUE	2650	3	5
"2173-56-0"	"DTXSID8042218"	"Pentyl valerate"	"EPA_DSSTox"	"CCCCCOC(=O)CCCC"	"?"	"InChI=1S/C10H20O2/c1-3-5-7-9-12-10(11)8-6-4-2/h3-9H2,1-2H3"	"FGPPDYNPZTUNIU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"21736-83-4"	"DTXSID9045429"	"Spectinomycin dihydrochloride"	"EPA_DSSTox"	"CC1CC(=O)C2(O)OC3C(OC2O1)C(O)C(NC)C(O)C3NC"	"Cl.Cl"	"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"	FALSE	TRUE	NA	4	5
"21738-42-1"	"DTXSID3023398"	"Oxamniquine"	"EPA_DSSTox"	"CC(C)NCC1CCC2=CC(CO)=C(C=C2N1)[N+]([O-])=O"	"?"	"InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3"	"XCGYUJZMCCFSRP-UHFFFAOYSA-N"	TRUE	FALSE	30	1	2
"21757-82-4"	NA	NA	"Public_CrossChecked"	"CC(=O)OC(C1=CC(Cl)=C(Cl)C=C1)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C10H7Cl5O2/c1-5(16)17-9(10(13,14)15)6-2-3-7(11)8(12)4-6/h2-4,9H,1H3"	"FSGNOVKGEXRRHD-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"2176-62-7"	"DTXSID2022179"	"Pentachloropyridine"	"EPA_DSSTox"	"ClC1=NC(Cl)=C(Cl)C(Cl)=C1Cl"	"?"	"InChI=1S/C5Cl5N/c6-1-2(7)4(9)11-5(10)3(1)8"	"DNDPLEAVNVOOQZ-UHFFFAOYSA-N"	FALSE	FALSE	435	2	4
"21787-80-4"	"DTXSID80176196"	"Demethylchlordimeform"	"EPA_DSSTox"	"CC1C=C(Cl)C=CC=1N/C=N/C"	"?"	"InChI=1S/C9H11ClN2/c1-7-5-8(10)3-4-9(7)12-6-11-2/h3-6H,1-2H3,(H,11,12)"	"MZCHBOYMVBQHQC-UHFFFAOYSA-N"	FALSE	FALSE	264	2	3
"21787-81-5"	"DTXSID2073431"	"Formamide, N-(4-chloro-2-methylphenyl)-"	"EPA_DSSTox"	"CC1C=C(Cl)C=CC=1NC=O"	"?"	"InChI=1S/C8H8ClNO/c1-6-4-7(9)2-3-8(6)10-5-11/h2-5H,1H3,(H,10,11)"	"JOGQXVYBVVOYGI-UHFFFAOYSA-N"	FALSE	FALSE	564	3	4
"2179-25-1"	"DTXSID3042138"	"Methiocarb sulfone"	"EPA_DSSTox"	"CC1C=C(C=C(C)C=1S(C)(=O)=O)OC(=O)NC"	"?"	"InChI=1S/C11H15NO4S/c1-7-5-9(16-11(13)12-3)6-8(2)10(7)17(4,14)15/h5-6H,1-4H3,(H,12,13)"	"RJBJMKAMQIOAML-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"2179-57-9"	"DTXSID9035206"	"Diallyl disulfide"	"EPA_DSSTox"	"C=CCSSCC=C"	"?"	"InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2"	"PFRGXCVKLLPLIP-UHFFFAOYSA-N"	FALSE	FALSE	260	2	3
"2181-04-6"	"DTXSID2045602"	"Canrenoate potassium"	"EPA_DSSTox"	"CC12CCC(=O)C=C1C=CC1C2CCC2(C)C1CCC2(O)CCC(O)=O"	"[K+]"	"InChI=1S/C22H30O4/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21,26)12-8-19(24)25/h3-4,13,16-18,26H,5-12H2,1-2H3,(H,24,25)"	"PBKZPPIHUVSDNM-UHFFFAOYSA-N"	FALSE	FALSE	650	3	4
"21820-82-6"	NA	NA	"Public_CrossChecked"	"CN1CC(CCN2CC=C(CC2)C2C=CC=CC=2)OC1=O"	"?"	"InChI=1S/C17H22N2O2/c1-18-13-16(21-17(18)20)9-12-19-10-7-15(8-11-19)14-5-3-2-4-6-14/h2-7,16H,8-13H2,1H3"	"YUORBURTMIUPMW-UHFFFAOYSA-N"	FALSE	FALSE	340	2	4
"21829-25-4"	"DTXSID2025715"	"Nifedipine"	"EPA_DSSTox"	"CC1NC(C)=C(C(C=1C(=O)OC)C1=CC=CC=C1[N+]([O-])=O)C(=O)OC"	"?"	"InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3"	"HYIMSNHJOBLJNT-UHFFFAOYSA-N"	FALSE	FALSE	1022	3	4
"2185-86-6"	"DTXSID90883804"	"Methanaminium, N-[4-[[4-(dimethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride (1:1)"	"EPA_DSSTox"	"CCNC1=CC=C(C(C2C=CC(=CC=2)N(C)C)=C2C=CC(C=C2)=[N+](C)C)C2C=CC=CC=21"	"[Cl-]"	"InChI=1S/C29H31N3/c1-6-30-28-20-19-27(25-9-7-8-10-26(25)28)29(21-11-15-23(16-12-21)31(2)3)22-13-17-24(18-14-22)32(4)5/h7-20H,6H2,1-5H3/p+1"	"ARNURRQQSTYLEY-UHFFFAOYSA-O"	FALSE	FALSE	960	3	4
"21850-44-2"	"DTXSID3032129"	"Tetrabromobisphenol A-bis(2,3-dibromopropyl ether)"	"EPA_DSSTox"	"CC(C)(C1=CC(Br)=C(OCC(Br)CBr)C(Br)=C1)C1=CC(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"	FALSE	TRUE	NA	3	5
"21862-63-5"	"DTXSID50885182"	"Cyclohexanol, 4-(1,1-dimethylethyl)-, trans-"	"EPA_DSSTox"	"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"	FALSE	TRUE	NA	3	5
"21894-02-0"	"DTXSID2073433"	"Benzenesulfonic acid, 4-hydroxy-3,5-dimethyl-"	"EPA_DSSTox"	"CC1C=C(C=C(C)C=1O)S(O)(=O)=O"	"?"	"InChI=1S/C8H10O4S/c1-5-3-7(13(10,11)12)4-6(2)8(5)9/h3-4,9H,1-2H3,(H,10,11,12)"	"DAXOZXAQOUHXEH-UHFFFAOYSA-N"	FALSE	TRUE	2650	3	5
"21898-19-1"	NA	NA	"Public_CrossChecked"	"CC(C)(C)NCC(O)C1=CC(Cl)=C(N)C(Cl)=C1"	"Cl"	"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"	FALSE	FALSE	159	2	3
"2192-20-3"	"DTXSID2040737"	"Hydroxyzine dihydrochloride"	"EPA_DSSTox"	"OCCOCCN1CCN(CC1)C(C1C=CC=CC=1)C1C=CC(Cl)=CC=1"	"Cl.Cl"	"InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2"	"ZQDWXGKKHFNSQK-UHFFFAOYSA-N"	FALSE	FALSE	950	3	4
"2192-21-4"	"DTXSID60176336"	"Etafenone hydrochloride"	"EPA_DSSTox"	"CCN(CCOC1C=CC=CC=1C(=O)CCC1C=CC=CC=1)CC"	"Cl"	"InChI=1S/C21H27NO2/c1-3-22(4-2)16-17-24-21-13-9-8-12-19(21)20(23)15-14-18-10-6-5-7-11-18/h5-13H,3-4,14-17H2,1-2H3"	"OEGDFSLNGABBKJ-UHFFFAOYSA-N"	FALSE	FALSE	716	3	4
"21923-23-9"	"DTXSID9041786"	"Chlorthiophos I"	"EPA_DSSTox"	"CSC1C=C(Cl)C(=CC=1Cl)OP(=S)(OCC)OCC"	"?"	"InChI=1S/C11H15Cl2O3PS2/c1-4-14-17(18,15-5-2)16-10-6-9(13)11(19-3)7-8(10)12/h6-7H,4-5H2,1-3H3"	"JAZJVWLGNLCNDD-UHFFFAOYSA-N"	TRUE	FALSE	9.1	1	2
"219715-34-1"	"DTXSID20889132"	"Pyridine, 2-methoxy-4-(trifluoromethyl)-"	"EPA_DSSTox"	"COC1=CC(=CC=N1)C(F)(F)F"	"?"	"InChI=1S/C7H6F3NO/c1-12-6-4-5(2-3-11-6)7(8,9)10/h2-4H,1H3"	"BYGXVIBRFSQTPY-UHFFFAOYSA-N"	FALSE	FALSE	1750	3	4
"219715-41-0"	NA	NA	"Public_CrossChecked"	"COC1N=CC=C(C=1S(=O)(=O)Cl)C(F)(F)F"	"?"	"InChI=1S/C7H5ClF3NO3S/c1-15-6-5(16(8,13)14)4(2-3-12-6)7(9,10)11/h2-3H,1H3"	"DMKFWTCEKLNOKK-UHFFFAOYSA-N"	FALSE	TRUE	3129	3	5
"2198-58-5"	"DTXSID70883807"	"1,4-Benzenediamine, N1,N1-diethyl-, hydrochloride (1:1)"	"EPA_DSSTox"	"CCN(CC)C1C=CC(N)=CC=1"	"Cl"	"InChI=1S/C10H16N2/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3"	"QNGVNLMMEQUVQK-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"2198-61-0"	"DTXSID7062245"	"Hexanoic acid, 3-methylbutyl ester"	"EPA_DSSTox"	"CCCCCC(=O)OCCC(C)C"	"?"	"InChI=1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3"	"XVSZRAWFCDHCBP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"21981-33-9"	"DTXSID20176397"	"1,1,1,3,3-Pentachlorobutane"	"EPA_DSSTox"	"CC(Cl)(Cl)CC(Cl)(Cl)Cl"	"?"	"InChI=1S/C4H5Cl5/c1-3(5,6)2-4(7,8)9/h2H2,1H3"	"FFBFEBDZFWMXBE-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	NA
"2200-44-4"	"DTXSID20176433"	"Sulfisoxazole sodium"	"EPA_DSSTox"	"CC1=C(NS(=O)(=O)C2C=CC(N)=CC=2)ON=C1C"	"[Na+]"	"InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3"	"NHUHCSRWZMLRLA-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"22031-33-0"	"DTXSID4027818"	"Propanenitrile, 3-[[2-(acetyloxy)ethyl]phenylamino]-"	"EPA_DSSTox"	"CC(=O)OCCN(CCC#N)C1C=CC=CC=1"	"?"	"InChI=1S/C13H16N2O2/c1-12(16)17-11-10-15(9-5-8-14)13-6-3-2-4-7-13/h2-4,6-7H,5,9-11H2,1H3"	"RRGWFPOSTSQIQE-UHFFFAOYSA-N"	FALSE	TRUE	2070	3	5
"22036-77-7"	NA	NA	"Public_CrossChecked"	"OP(O)(=O)CN(CP(O)(O)=O)CCN(CP(O)(O)=O)CP(O)(O)=O"	"?"	"InChI=1S/C6H20N2O12P4/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)"	"NFDRPXJGHKJRLJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"22042-59-7"	"DTXSID9058315"	"Cartap hydrochloride"	"EPA_DSSTox"	"CN(C)C(CSC(N)=O)CSC(N)=O"	"Cl"	"InChI=1S/C7H15N3O2S2/c1-10(2)5(3-13-6(8)11)4-14-7(9)12/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,12)"	"IRUJZVNXZWPBMU-UHFFFAOYSA-N"	FALSE	FALSE	340	2	4
"2205-73-4"	"DTXSID50176527"	"Tiomesterone"	"EPA_DSSTox"	"CC12CCC3C(C1CCC2(C)O)C(CC1=CC(=O)CC(SC(C)=O)C13C)SC(C)=O"	"?"	"InChI=1S/C24H34O4S2/c1-13(25)29-19-11-15-10-16(27)12-20(30-14(2)26)24(15,5)18-6-8-22(3)17(21(18)19)7-9-23(22,4)28/h10,17-21,28H,6-9,11-12H2,1-5H3"	"YUOZKOLALXNELS-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"22052-04-6"	"DTXSID00176532"	"2-Thiotriazone"	"EPA_DSSTox"	"S=C1NCNCN1"	"?"	"InChI=1S/C3H7N3S/c7-3-5-1-4-2-6-3/h4H,1-2H2,(H2,5,6,7)"	"HBEQQDRAYMGDPU-UHFFFAOYSA-N"	TRUE	FALSE	4.6	1	1
"22059-60-5"	NA	NA	"Public_CrossChecked"	"CC(C)N(CCC(C(N)=O)(C1C=CC=CN=1)C1C=CC=CC=1)C(C)C"	"OP(=O)(O)O"	"InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)"	"UVTNFZQICZKOEM-UHFFFAOYSA-N"	FALSE	FALSE	880	3	4
"2206-89-5"	"DTXSID8024783"	"2-Chloroethyl acrylate"	"EPA_DSSTox"	"C=CC(=O)OCCCl"	"?"	"InChI=1S/C5H7ClO2/c1-2-5(7)8-4-3-6/h2H,1,3-4H2"	"WHBAYNMEIXUTJV-UHFFFAOYSA-N"	FALSE	FALSE	180	2	3
"22071-15-4"	"DTXSID6020771"	"Ketoprofen"	"EPA_DSSTox"	"CC(C(O)=O)C1C=CC=C(C=1)C(=O)C1C=CC=CC=1"	"?"	"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"	FALSE	FALSE	62.4	2	3
"22082-34-4"	NA	NA	"Public_CrossChecked"	"COP(=O)(SCC)SCC"	"?"	"InChI=1S/C5H13O2PS2/c1-4-9-8(6,7-3)10-5-2/h4-5H2,1-3H3"	"QSIMWFOYBFACSK-UHFFFAOYSA-N"	FALSE	FALSE	158	2	3
"22089-22-1"	NA	NA	"Public_CrossChecked"	"O=P1(OCCCN1CCCl)N(CCCl)CCCl"	"?"	"InChI=1S/C9H18Cl3N2O2P/c10-2-6-13-5-1-9-16-17(13,15)14(7-3-11)8-4-12/h1-9H2"	"UMKFEPPTGMDVMI-UHFFFAOYSA-N"	FALSE	FALSE	202	2	3
"220899-03-6"	"DTXSID9058020"	"Metrafenone"	"EPA_DSSTox"	"CC1C(Br)=CC=C(OC)C=1C(=O)C1=C(OC)C(OC)=C(C=C1C)OC"	"?"	"InChI=1S/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3"	"AMSPWOYQQAWRRM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"22094-93-5"	"DTXSID20865032"	"Butanamide, 2,2'-[(2,2',5,5'-tetrachloro[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[N-(2,4-dimethylphenyl)-3-oxo-"	"EPA_DSSTox"	"CC(=O)C(N=NC1C=C(Cl)C(=CC=1Cl)C1C=C(Cl)C(=CC=1Cl)N=NC(C(=O)NC1C=CC(C)=CC=1C)C(C)=O)C(=O)NC1C=CC(C)=CC=1C"	"?"	"InChI=1S/C36H32Cl4N6O4/c1-17-7-9-29(19(3)11-17)41-35(49)33(21(5)47)45-43-31-15-25(37)23(13-27(31)39)24-14-28(40)32(16-26(24)38)44-46-34(22(6)48)36(50)42-30-10-8-18(2)12-20(30)4/h7-16,33-34H,1-6H3,(H,41,49)(H,42,50)"	"GPWXTTPSHZOIKO-UHFFFAOYSA-N"	FALSE	TRUE	2228	3	5
"2210-24-4"	"DTXSID60278268"	"N-Phenylacrylamide"	"EPA_DSSTox"	"C=CC(=O)NC1C=CC=CC=1"	"?"	"InChI=1S/C9H9NO/c1-2-9(11)10-8-6-4-3-5-7-8/h2-7H,1H2,(H,10,11)"	"BPCNEKWROYSOLT-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"2210-25-5"	"DTXSID0033754"	"N-Isopropylacrylamide"	"EPA_DSSTox"	"CC(C)NC(=O)C=C"	"?"	"InChI=1S/C6H11NO/c1-4-6(8)7-5(2)3/h4-5H,1H2,2-3H3,(H,7,8)"	"QNILTEGFHQSKFF-UHFFFAOYSA-N"	FALSE	FALSE	375	2	4
"2210-63-1"	"DTXSID4023331"	"Mofebutazone"	"EPA_DSSTox"	"CCCCC1C(=O)NN(C2C=CC=CC=2)C1=O"	"?"	"InChI=1S/C13H16N2O2/c1-2-3-9-11-12(16)14-15(13(11)17)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H,14,16)"	"REOJLIXKJWXUGB-UHFFFAOYSA-N"	FALSE	FALSE	1750	3	4
"2210-79-9"	"DTXSID8024862"	"o-Cresyl glycidyl ether"	"EPA_DSSTox"	"CC1=CC=CC=C1OCC1CO1"	"?"	"InChI=1S/C10H12O2/c1-8-4-2-3-5-10(8)12-7-9-6-11-9/h2-5,9H,6-7H2,1H3"	"KFUSXMDYOPXKKT-UHFFFAOYSA-N"	FALSE	TRUE	2800	3	5
"2211-66-7"	"DTXSID6062254"	"Cyclohexanamine, N-(phenylmethylene)-"	"EPA_DSSTox"	"C1CCCCC1N=CC1C=CC=CC=1"	"?"	"InChI=1S/C13H17N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2"	"QKSQEJXIILKPDX-UHFFFAOYSA-N"	FALSE	TRUE	3080	3	5
"2212-67-1"	"DTXSID6024206"	"Molinate"	"EPA_DSSTox"	"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"	FALSE	FALSE	369	2	4
"2212-81-9"	"DTXSID50862872"	"1,1'-[1,3-Phenylenebis(1-methylethylidene)]bis[2-(1,1-dimethylethyl) peroxide]"	"EPA_DSSTox"	"CC(C)(OOC(C)(C)C)C1C=C(C=CC=1)C(C)(C)OOC(C)(C)C"	"?"	"InChI=1S/C20H34O4/c1-17(2,3)21-23-19(7,8)15-12-11-13-16(14-15)20(9,10)24-22-18(4,5)6/h11-14H,1-10H3"	"UBRWPVTUQDJKCC-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"22125-35-5"	"DTXSID90176647"	"Cyclopropane, 1,1-dichloro-2,2-bis(p-ethoxyphenyl)-"	"EPA_DSSTox"	"CCOC1C=CC(=CC=1)C1(CC1(Cl)Cl)C1C=CC(=CC=1)OCC"	"?"	"InChI=1S/C19H20Cl2O2/c1-3-22-16-9-5-14(6-10-16)18(13-19(18,20)21)15-7-11-17(12-8-15)23-4-2/h5-12H,3-4,13H2,1-2H3"	"CFUHLQNLZGRFTB-UHFFFAOYSA-N"	FALSE	FALSE	755	3	4
"2213-63-0"	"DTXSID1025013"	"2,3-Dichloroquinoxaline"	"EPA_DSSTox"	"ClC1=NC2C=CC=CC=2N=C1Cl"	"?"	"InChI=1S/C8H4Cl2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H"	"SPSSDDOTEZKOOV-UHFFFAOYSA-N"	FALSE	FALSE	195	2	3
"22131-79-9"	"DTXSID4020038"	"Alclofenac"	"EPA_DSSTox"	"C=CCOC1C=CC(CC(O)=O)=CC=1Cl"	"?"	"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"	FALSE	FALSE	1050	3	4
"2216-45-7"	"DTXSID5051866"	"4-Methylbenzyl acetate"	"EPA_DSSTox"	"CC1C=CC(COC(C)=O)=CC=1"	"?"	"InChI=1S/C10H12O2/c1-8-3-5-10(6-4-8)7-12-9(2)11/h3-6H,7H2,1-2H3"	"WDCUPFMSLUIQBH-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"2216-51-5"	"DTXSID1022180"	"(1R,2S,5R)-(-)-Menthol"	"EPA_DSSTox"	"CC(C)C1CCC(C)CC1O"	"?"	"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3"	"NOOLISFMXDJSKH-UHFFFAOYSA-N"	FALSE	TRUE	3300	3	5
"22174-70-5"	NA	NA	"Public_CrossChecked"	"CCCCC(COCOCC(CCCC)CC)CC"	"?"	"InChI=1S/C17H36O2/c1-5-9-11-16(7-3)13-18-15-19-14-17(8-4)12-10-6-2/h16-17H,5-15H2,1-4H3"	"QPIWJVQXEMCELO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"22198-93-2"	NA	NA	"Public_CrossChecked"	"COC1C=C(C=C(OC)C=1OC)C=CC(=O)NC(C)(C)C#C"	"?"	"InChI=1S/C17H21NO4/c1-7-17(2,3)18-15(19)9-8-12-10-13(20-4)16(22-6)14(11-12)21-5/h1,8-11H,2-6H3,(H,18,19)"	"APIXMWJMJACVBU-UHFFFAOYSA-N"	FALSE	FALSE	570	3	4
"22199-08-2"	"DTXSID4048646"	"Sulfadiazine silver"	"EPA_DSSTox"	"NC1C=CC(=CC=1)S(=O)(=O)NC1N=CC=CN=1"	"[Ag+]"	"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"	FALSE	TRUE	NA	4	5
"22204-53-1"	"DTXSID4040686"	"Naproxen"	"EPA_DSSTox"	"COC1=CC2C=CC(=CC=2C=C1)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"	FALSE	FALSE	248	2	3
"22212-55-1"	"DTXSID7040281"	"Benzoylprop-ethyl"	"EPA_DSSTox"	"CCOC(=O)C(C)N(C1=CC(Cl)=C(Cl)C=C1)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C18H17Cl2NO3/c1-3-24-18(23)12(2)21(14-9-10-15(19)16(20)11-14)17(22)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3"	"SLCGUGMPSUYJAY-UHFFFAOYSA-N"	FALSE	FALSE	1550	3	4
"22212-93-7"	NA	NA	"Public_CrossChecked"	"CC1CSC(S1)C1C=CC=CC=1OC(=O)N(C)C"	"?"	"InChI=1S/C13H17NO2S2/c1-9-8-17-12(18-9)10-6-4-5-7-11(10)16-13(15)14(2)3/h4-7,9,12H,8H2,1-3H3"	"SKUDHUFZLCESCE-UHFFFAOYSA-N"	FALSE	FALSE	140	2	3
"22232-71-9"	"DTXSID1023237"	"Mazindol"	"EPA_DSSTox"	"OC1(C2=CC=CC=C2C2=NCCN12)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2"	"ZPXSCAKFGYXMGA-UHFFFAOYSA-N"	TRUE	FALSE	36.3	1	2
"22235-81-0"	NA	NA	"Public_CrossChecked"	"CC(C)N1C2CC(CC1CC2)OC(=O)C(CO)C1=CC=CC=C1"	"?"	"InChI=1S/C19H27NO3/c1-13(2)20-15-8-9-16(20)11-17(10-15)23-19(22)18(12-21)14-6-4-3-5-7-14/h3-7,13,15-18,21H,8-12H2,1-2H3"	"VORSMCHHJRVORT-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"2224-33-1"	"DTXSID4062278"	"2-Butanone, O,O',O''-(ethenylsilylidyne)trioxime"	"EPA_DSSTox"	"CC(CC)=NO[Si](C=C)(ON=C(C)CC)ON=C(C)CC"	"?"	"InChI=1S/C14H27N3O3Si/c1-8-12(5)15-18-21(11-4,19-16-13(6)9-2)20-17-14(7)10-3/h11H,4,8-10H2,1-3,5-7H3"	"WXWYJCSIHQKADM-UHFFFAOYSA-N"	FALSE	TRUE	3519	3	5
"22243-91-0"	NA	NA	"Public_CrossChecked"	"COP(C)(=S)SCN1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C11H12NO3PS2/c1-15-16(2,17)18-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3"	"PDPLQAYBEGIJJF-UHFFFAOYSA-N"	TRUE	FALSE	6	1	2
"22248-79-9"	"DTXSID1032648"	"Z-Tetrachlorvinphos"	"EPA_DSSTox"	"COP(=O)(OC(=CCl)C1C=C(Cl)C(Cl)=CC=1Cl)OC"	"?"	"InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3"	"UBCKGWBNUIFUST-UHFFFAOYSA-N"	FALSE	FALSE	480	2	4
"2226-96-2"	"DTXSID4041280"	"4-Hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl"	"EPA_DSSTox"	"CC1(C)CC(O)CC(C)(C)N1O"	"?"	"InChI=1S/C9H19NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11-12H,5-6H2,1-4H3"	"CSGAUKGQUCHWDP-UHFFFAOYSA-N"	FALSE	FALSE	953	3	4
"2227-13-6"	"DTXSID5020314"	"Tetrasul"	"EPA_DSSTox"	"ClC1C=CC(=CC=1)SC1=CC(Cl)=C(Cl)C=C1Cl"	"?"	"InChI=1S/C12H6Cl4S/c13-7-1-3-8(4-2-7)17-12-6-10(15)9(14)5-11(12)16/h1-6H"	"QUWSDLYBOVGOCW-UHFFFAOYSA-N"	FALSE	TRUE	3960	3	5
"2227-17-0"	"DTXSID9032371"	"Dienochlor"	"EPA_DSSTox"	"ClC1(C(Cl)=C(Cl)C(Cl)=C1Cl)C1(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl"	"?"	"InChI=1S/C10Cl10/c11-1-2(12)6(16)9(19,5(1)15)10(20)7(17)3(13)4(14)8(10)18"	"LWLJUMBEZJHXHV-UHFFFAOYSA-N"	FALSE	FALSE	1200	3	4
"2229-55-2"	"DTXSID50880551"	"Di(2-ethyl-4-methylpentyl) phthalate"	"EPA_DSSTox"	"CC(C)CC(COC(=O)C1=CC=CC=C1C(=O)OCC(CC(C)C)CC)CC"	"?"	"InChI=1S/C24H38O4/c1-7-19(13-17(3)4)15-27-23(25)21-11-9-10-12-22(21)24(26)28-16-20(8-2)14-18(5)6/h9-12,17-20H,7-8,13-16H2,1-6H3"	"OQTICVORXAJFST-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"22326-31-4"	"DTXSID8045064"	"5-Sulfobenzene-1,3-dicarboxylic acid"	"EPA_DSSTox"	"OS(=O)(=O)C1C=C(C=C(C=1)C(O)=O)C(O)=O"	"?"	"InChI=1S/C8H6O7S/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h1-3H,(H,9,10)(H,11,12)(H,13,14,15)"	"CARJPEPCULYFFP-UHFFFAOYSA-N"	FALSE	TRUE	2600	3	5
"22343-07-3"	"DTXSID80176878"	"Hercules 14469"	"EPA_DSSTox"	"CC(C)C1C=C(C=CC=1)OC(=O)NCC(=O)CSP(=S)(OC)OC"	"?"	"InChI=1S/C15H22NO5PS2/c1-11(2)12-6-5-7-14(8-12)21-15(18)16-9-13(17)10-24-22(23,19-3)20-4/h5-8,11H,9-10H2,1-4H3,(H,16,18)"	"NEZZLYHNLCQXDS-UHFFFAOYSA-N"	FALSE	FALSE	432	2	4
"22345-47-7"	"DTXSID3023681"	"Tofisopam"	"EPA_DSSTox"	"CC1=NN=C(C2=CC(OC)=C(C=C2C1CC)OC)C1C=C(OC)C(=CC=1)OC"	"?"	"InChI=1S/C22H26N2O4/c1-7-15-13(2)23-24-22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,15H,7H2,1-6H3"	"RUJBDQSFYCKFAA-UHFFFAOYSA-N"	FALSE	FALSE	825	3	4
"2235-43-0"	"DTXSID8029232"	"[Nitrilotris(methylene)]tris-phosphonic acid pentasodium salt"	"EPA_DSSTox"	"OP(O)(=O)CN(CP(O)(O)=O)CP(O)(O)=O"	"[Na+].[Na+].[Na+].[Na+]"	"InChI=1S/C3H12NO9P3/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)"	"YDONNITUKPKTIG-UHFFFAOYSA-N"	FALSE	TRUE	17800	4	5
"2238-07-5"	"DTXSID4051871"	"Diglycidyl ether"	"EPA_DSSTox"	"C(OCC1CO1)C1CO1"	"?"	"InChI=1S/C6H10O3/c1(5-3-8-5)7-2-6-4-9-6/h5-6H,1-4H2"	"GYZLOYUZLJXAJU-UHFFFAOYSA-N"	FALSE	FALSE	450	2	4
"2240-14-4"	NA	NA	"Public_CrossChecked"	"CCNC1C(C2CC1CC2)C1C=CC=CC=1"	"Cl"	"InChI=1S/C15H21N/c1-2-16-15-13-9-8-12(10-13)14(15)11-6-4-3-5-7-11/h3-7,12-16H,2,8-10H2,1H3"	"IKFBPFGUINLYQI-UHFFFAOYSA-N"	FALSE	FALSE	83	2	3
"2243-62-1"	"DTXSID3020916"	"1,5-Naphthalenediamine"	"EPA_DSSTox"	"NC1=CC=CC2=C1C=CC=C2N"	"?"	"InChI=1S/C10H10N2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H,11-12H2"	"KQSABULTKYLFEV-UHFFFAOYSA-N"	FALSE	FALSE	634	3	4
"2243-78-9"	"DTXSID4036859"	"2-Nitrobenzidine"	"EPA_DSSTox"	"NC1C=CC(=CC=1)C1=CC=C(N)C=C1[N+]([O-])=O"	"?"	"InChI=1S/C12H11N3O2/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15(16)17/h1-7H,13-14H2"	"YYNCOERMULFLJD-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"22431-62-5"	"DTXSID0040339"	"RU-11679"	"EPA_DSSTox"	"CC1(C)C(C=C2CCCC2)C1C(=O)OCC1=COC(CC2=CC=CC=C2)=C1"	"?"	"InChI=1S/C24H28O3/c1-24(2)21(14-18-10-6-7-11-18)22(24)23(25)27-16-19-13-20(26-15-19)12-17-8-4-3-5-9-17/h3-5,8-9,13-15,21-22H,6-7,10-12,16H2,1-2H3"	"MGRRXBWTLBJEMS-UHFFFAOYSA-N"	FALSE	FALSE	63	2	3
"22439-39-0"	"DTXSID80176979"	"Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-3(2H)-pyridazinone"	"EPA_DSSTox"	"COP(=S)(OC)SCN1N=C(Cl)C=CC1=O"	"?"	"InChI=1S/C7H10ClN2O3PS2/c1-12-14(15,13-2)16-5-10-7(11)4-3-6(8)9-10/h3-4H,5H2,1-2H3"	"SEWJSFDJHILELY-UHFFFAOYSA-N"	TRUE	FALSE	5	1	2
"22439-40-3"	"DTXSID6042367"	"Quinothion"	"EPA_DSSTox"	"CC1C=C(OP(=S)(OCC)OCC)C2C=CC=CC=2N=1"	"?"	"InChI=1S/C14H18NO3PS/c1-4-16-19(20,17-5-2)18-14-10-11(3)15-13-9-7-6-8-12(13)14/h6-10H,4-5H2,1-3H3"	"RVQMZGWUSHPUCC-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"22457-23-4"	"DTXSID9051874"	"5-Methylheptan-3-one oxime"	"EPA_DSSTox"	"CC(CC(CC)N=O)CC"	"?"	"InChI=1S/C8H17NO/c1-4-7(3)6-8(5-2)9-10/h7-8H,4-6H2,1-3H3"	"WTHMFOTVOGOVQQ-UHFFFAOYSA-N"	FALSE	TRUE	3800	3	5
"2246-44-8"	"DTXSID40176995"	"2-Methyl-1-naphthylamine"	"EPA_DSSTox"	"CC1C=CC2C=CC=CC=2C=1N"	"?"	"InChI=1S/C11H11N/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-7H,12H2,1H3"	"JMBLSGAXSMOKPN-UHFFFAOYSA-N"	FALSE	FALSE	620	3	4
"22487-46-3"	NA	NA	"Public_CrossChecked"	"CN1CCN(CC1)C1=CC2C=CC=CC=2SC2=CC=C(Cl)C=C21"	"C(=C/C(=O)O)\C(=O)O"	"InChI=1S/C19H19ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,12-13H,8-11H2,1H3"	"QBQNBLXYDPHRPV-UHFFFAOYSA-N"	FALSE	FALSE	115	2	3
"22494-27-5"	"DTXSID30177017"	"Flufenisal"	"EPA_DSSTox"	"CC(=O)OC1C=CC(=CC=1C(O)=O)C1C=CC(F)=CC=1"	"?"	"InChI=1S/C15H11FO4/c1-9(17)20-14-7-4-11(8-13(14)15(18)19)10-2-5-12(16)6-3-10/h2-8H,1H3,(H,18,19)"	"XKSAJZSJKURQRX-UHFFFAOYSA-N"	FALSE	FALSE	185	2	3
"22494-42-4"	"DTXSID5022932"	"Diflunisal"	"EPA_DSSTox"	"OC1=CC=C(C=C1C(O)=O)C1C=CC(F)=CC=1F"	"?"	"InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)"	"HUPFGZXOMWLGNK-UHFFFAOYSA-N"	FALSE	FALSE	392	2	4
"2250-53-5"	"DTXSID60177025"	"1H-Indazol-3-amine, 5-(trifluoromethyl)- (9CI)"	"EPA_DSSTox"	"NC1=NNC2=CC=C(C=C21)C(F)(F)F"	"?"	"InChI=1S/C8H6F3N3/c9-8(10,11)4-1-2-6-5(3-4)7(12)14-13-6/h1-3H,(H3,12,13,14)"	"ZXZTZRVCWTWKCH-UHFFFAOYSA-N"	FALSE	FALSE	90	2	3
"22502-03-0"	"DTXSID20177026"	"2-Methoxyethyl acetoacetate"	"EPA_DSSTox"	"CC(=O)CC(=O)OCCOC"	"?"	"InChI=1S/C7H12O4/c1-6(8)5-7(9)11-4-3-10-2/h3-5H2,1-2H3"	"PLHCSZRZWOWUBW-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"2255-15-4"	"DTXSID40177083"	"Phosphoric acid, 3-chloro-4-nitrophenyl dimethyl ester"	"EPA_DSSTox"	"COP(=O)(OC1C=C(Cl)C(=CC=1)[N+]([O-])=O)OC"	"?"	"InChI=1S/C8H9ClNO6P/c1-14-17(13,15-2)16-6-3-4-8(10(11)12)7(9)5-6/h3-5H,1-2H3"	"LVSQMNHBBYWRRX-UHFFFAOYSA-N"	TRUE	FALSE	10	1	2
"2255-17-6"	"DTXSID00177084"	"Fenitrooxone"	"EPA_DSSTox"	"CC1C=C(C=CC=1[N+]([O-])=O)OP(=O)(OC)OC"	"?"	"InChI=1S/C9H12NO6P/c1-7-6-8(4-5-9(7)10(11)12)16-17(13,14-2)15-3/h4-6H,1-3H3"	"MJNAIAPNXYJWCT-UHFFFAOYSA-N"	TRUE	FALSE	24	1	2
"22591-21-5"	"DTXSID8027822"	"1,1-Dichloro-3,3-dimethylbutan-2-one"	"EPA_DSSTox"	"CC(C)(C)C(=O)C(Cl)Cl"	"?"	"InChI=1S/C6H10Cl2O/c1-6(2,3)4(9)5(7)8/h5H,1-3H3"	"UDWZXMQIEHAAQT-UHFFFAOYSA-N"	FALSE	FALSE	1300	3	4
"2260-08-4"	"DTXSID60177121"	"Acetiromate"	"EPA_DSSTox"	"CC(=O)OC1C=CC(=CC=1I)OC1C(I)=CC(=CC=1I)C(O)=O"	"?"	"InChI=1S/C15H9I3O5/c1-7(19)22-13-3-2-9(6-10(13)16)23-14-11(17)4-8(15(20)21)5-12(14)18/h2-6H,1H3,(H,20,21)"	"AXVCIZJRCOHMQX-UHFFFAOYSA-N"	FALSE	TRUE	4600	3	5
"22608-53-3"	"DTXSID40177129"	"O,S,S-Trimethyl phosphorodithioate"	"EPA_DSSTox"	"COP(=O)(SC)SC"	"?"	"InChI=1S/C3H9O2PS2/c1-5-6(4,7-2)8-3/h1-3H3"	"NIJIQSOYZWDHAQ-UHFFFAOYSA-N"	TRUE	FALSE	26	1	2
"22609-73-0"	NA	NA	"Public_CrossChecked"	"CC1N=C(C)C(C(C=1C(=O)OCCOCCC)C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCOCCC"	"?"	"InChI=1S/C25H34N2O8/c1-5-10-32-12-14-34-24(28)21-17(3)26-18(4)22(25(29)35-15-13-33-11-6-2)23(21)19-8-7-9-20(16-19)27(30)31/h7-9,16,21,23H,5-6,10-15H2,1-4H3"	"AQSVPVSOLRMDQI-UHFFFAOYSA-N"	FALSE	FALSE	1469	3	4
"22620-72-0"	"DTXSID20177142"	"Phosphoric acid, dimethyl ester, ester with 1-allyl-4-hydroxy-6-methyl-2(1H)-pyridone"	"EPA_DSSTox"	"CC1=CC(=CC(=O)N1CC=C)OP(=O)(OC)OC"	"?"	"InChI=1S/C11H16NO5P/c1-5-6-12-9(2)7-10(8-11(12)13)17-18(14,15-3)16-4/h5,7-8H,1,6H2,2-4H3"	"GHAOPKQTSBILRD-UHFFFAOYSA-N"	TRUE	FALSE	2.46	1	1
"22683-78-9"	NA	NA	"Public_CrossChecked"	"CC1C=CC(CC(C)N)=CC=1"	"?"	"InChI=1S/C10H15N/c1-8-3-5-10(6-4-8)7-9(2)11/h3-6,9H,7,11H2,1-2H3"	"ZDHZDWSHLNBTEB-UHFFFAOYSA-N"	FALSE	FALSE	150	2	3
"2269-06-9"	NA	NA	"Public_CrossChecked"	"CN1CCC2=CC(OC)=C(OC)C3=C2C1CC1=CC(OC)=C(C=C13)OC"	"[Cl-]"	"InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3"	"RUZIUYOSRDWYQF-UHFFFAOYSA-N"	FALSE	FALSE	545	3	4
"227197-72-0"	"DTXSID10429425"	"6-Chlorobenzo[d]oxazole"	"EPA_DSSTox"	"ClC1C=C2OC=NC2=CC=1"	"?"	"InChI=1S/C7H4ClNO/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H"	"JJOOKXUUVWIARB-UHFFFAOYSA-N"	FALSE	FALSE	791.3	3	4
"22729-75-5"	"DTXSID60177262"	"Methanesulfonamide, N-phenyl-N-((1,1,2,2-tetrachloro-2-fluoroethyl)thio)- (9CI)"	"EPA_DSSTox"	"CS(=O)(=O)N(SC(Cl)(Cl)C(F)(Cl)Cl)C1C=CC=CC=1"	"?"	"InChI=1S/C9H8Cl4FNO2S2/c1-19(16,17)15(7-5-3-2-4-6-7)18-9(12,13)8(10,11)14/h2-6H,1H3"	"SVIKNKPDPGCMAE-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"22730-89-8"	NA	NA	"Public_CrossChecked"	"CC(=O)NC1C(I)=CC(I)=C(OCCOC(C)C(O)=O)C=1I"	"?"	"InChI=1S/C13H14I3NO5/c1-6(13(19)20)21-3-4-22-12-9(15)5-8(14)11(10(12)16)17-7(2)18/h5-6H,3-4H2,1-2H3,(H,17,18)(H,19,20)"	"VQIVOLHFBFAWBD-UHFFFAOYSA-N"	FALSE	TRUE	9859.99999999999	4	5
"22736-85-2"	"DTXSID90177275"	"Diflumidone"	"EPA_DSSTox"	"O=C(C1C=C(C=CC=1)NS(=O)(=O)C(F)F)C1C=CC=CC=1"	"?"	"InChI=1S/C14H11F2NO3S/c15-14(16)21(19,20)17-12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10/h1-9,14,17H"	"JLBDOSAQLCZTSX-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"22737-01-5"	NA	NA	"Public_CrossChecked"	"O=C(C1=CC(=CC=C1)NS(=O)(=O)C(F)F)C1C=CC=CC=1"	"?"	"InChI=1S/C14H11F2NO3S/c15-14(16)21(19,20)17-12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10/h1-9,14,17H"	"JLBDOSAQLCZTSX-UHFFFAOYSA-N"	FALSE	FALSE	450	2	4
"2274-67-1"	"DTXSID9058026"	"Dimethylvinphos"	"EPA_DSSTox"	"COP(=O)(OC(=CCl)C1=CC=C(Cl)C=C1Cl)OC"	"?"	"InChI=1S/C10H10Cl3O4P/c1-15-18(14,16-2)17-10(6-11)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3"	"QSGNQELHULIMSJ-UHFFFAOYSA-N"	FALSE	FALSE	97.5	2	3
"2274-69-3"	NA	NA	"Public_CrossChecked"	"COP(=O)(OC(=CCl)C1C=C(Cl)C=CC=1Cl)OC"	"?"	"InChI=1S/C10H10Cl3O4P/c1-15-18(14,16-2)17-10(6-11)8-5-7(12)3-4-9(8)13/h3-6H,1-2H3"	"XOFARZFCSCWOPZ-UHFFFAOYSA-N"	FALSE	TRUE	3790	3	5
"2274-74-0"	"DTXSID0041771"	"Chlorfensulphide"	"EPA_DSSTox"	"ClC1C=C(Cl)C(Cl)=CC=1N=NSC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C12H6Cl4N2S/c13-7-1-3-8(4-2-7)19-18-17-12-6-10(15)9(14)5-11(12)16/h1-6H"	"JKVBWACRUUUEAR-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"2275-14-1"	"DTXSID3042269"	"Phenkapton"	"EPA_DSSTox"	"CCOP(=S)(OCC)SCSC1C=C(Cl)C=CC=1Cl"	"?"	"InChI=1S/C11H15Cl2O2PS3/c1-3-14-16(17,15-4-2)19-8-18-11-7-9(12)5-6-10(11)13/h5-7H,3-4,8H2,1-2H3"	"GGNLTHFTYNDYNK-UHFFFAOYSA-N"	TRUE	FALSE	44	1	2
"2275-18-5"	"DTXSID8037627"	"Prothoate"	"EPA_DSSTox"	"CC(C)NC(=O)CSP(=S)(OCC)OCC"	"?"	"InChI=1S/C9H20NO3PS2/c1-5-12-14(15,13-6-2)16-7-9(11)10-8(3)4/h8H,5-7H2,1-4H3,(H,10,11)"	"QTXHFDHVLBDJIO-UHFFFAOYSA-N"	TRUE	FALSE	8	1	2
"2275-23-2"	"DTXSID7042510"	"Vamidothion"	"EPA_DSSTox"	"CNC(=O)C(C)SCCSP(=O)(OC)OC"	"?"	"InChI=1S/C8H18NO4PS2/c1-7(8(10)9-2)15-5-6-16-14(11,12-3)13-4/h7H,5-6H2,1-4H3,(H,9,10)"	"LESVOLZBIFDZGS-UHFFFAOYSA-N"	FALSE	FALSE	64	2	3
"22760-18-5"	"DTXSID4021210"	"Proquazone"	"EPA_DSSTox"	"CC1C=C2C(=CC=1)C(=NC(=O)N2C(C)C)C1C=CC=CC=1"	"?"	"InChI=1S/C18H18N2O/c1-12(2)20-16-11-13(3)9-10-15(16)17(19-18(20)21)14-7-5-4-6-8-14/h4-12H,1-3H3"	"JTIGKVIOEQASGT-UHFFFAOYSA-N"	FALSE	FALSE	759	3	4
"2277-92-1"	"DTXSID50177312"	"Oxyclozanide"	"EPA_DSSTox"	"OC1=C(C=C(Cl)C=C1Cl)NC(=O)C1=C(Cl)C(Cl)=CC(Cl)=C1O"	"?"	"InChI=1S/C13H6Cl5NO3/c14-4-1-6(16)11(20)8(2-4)19-13(22)9-10(18)5(15)3-7(17)12(9)21/h1-3,20-21H,(H,19,22)"	"JYWIYHUXVMAGLG-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"22781-23-3"	"DTXSID9032327"	"Bendiocarb"	"EPA_DSSTox"	"CC1(C)OC2C=CC=C(OC(=O)NC)C=2O1"	"?"	"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"	TRUE	FALSE	40	1	2
"22787-53-7"	NA	NA	"Public_CrossChecked"	"Cc1cc(cc(=O)[n]1C)OP(=O)(OC)OC"	"?"	"InChI=1S/C9H14NO5P/c1-7-5-8(6-9(11)10(7)2)15-16(12,13-3)14-4/h5-6H,1-4H3"	"GKIPUVHVWDXDCH-UHFFFAOYSA-N"	TRUE	FALSE	2.91	1	1
"22787-58-2"	NA	NA	"Public_CrossChecked"	"Cc1cc(cc(=O)[n]1CC)OP(=S)(OCC)OCC"	"?"	"InChI=1S/C12H20NO4PS/c1-5-13-10(4)8-11(9-12(13)14)17-18(19,15-6-2)16-7-3/h8-9H,5-7H2,1-4H3"	"PBGVXQIFFWNDCD-UHFFFAOYSA-N"	FALSE	TRUE	7070	4	5
"22787-59-3"	"DTXSID2073439"	"Phosphoric acid, diethyl 1-ethyl-1,2-dihydro-6-methyl-2-oxo-4-pyridinyl ester"	"EPA_DSSTox"	"CC1=CC(=CC(=O)N1CC)OP(=O)(OCC)OCC"	"?"	"InChI=1S/C12H20NO5P/c1-5-13-10(4)8-11(9-12(13)14)18-19(15,16-6-2)17-7-3/h8-9H,5-7H2,1-4H3"	"AYXQWRXUZXCDEW-UHFFFAOYSA-N"	TRUE	FALSE	1.62	1	1
"22791-12-4"	NA	NA	"Public_CrossChecked"	"COP(=O)(N=C1OC(C)CN1CC)SC"	"?"	"InChI=1S/C8H17N2O3PS/c1-5-10-6-7(2)13-8(10)9-14(11,12-3)15-4/h7H,5-6H2,1-4H3"	"JCYANUVOCLKHHY-UHFFFAOYSA-N"	TRUE	FALSE	0.1	1	1
"22791-19-1"	NA	NA	"Public_CrossChecked"	"CC(C)(C)C1(C)OC2C=CC=C(OC(=O)NC)C=2O1"	"?"	"InChI=1S/C14H19NO4/c1-13(2,3)14(4)18-10-8-6-7-9(11(10)19-14)17-12(16)15-5/h6-8H,1-5H3,(H,15,16)"	"ILSUYTFZLSJCID-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"22791-20-4"	"DTXSID10177333"	"1,3-Benzodioxol-4-ol, 2,2,7-trimethyl-, methylcarbamate"	"EPA_DSSTox"	"CC1=CC=C(OC(=O)NC)C2OC(C)(C)OC1=2"	"?"	"InChI=1S/C12H15NO4/c1-7-5-6-8(15-11(14)13-4)10-9(7)16-12(2,3)17-10/h5-6H,1-4H3,(H,13,14)"	"QRVOHSBDBLBNPZ-UHFFFAOYSA-N"	TRUE	FALSE	9	1	2
"22791-22-6"	NA	NA	"Public_CrossChecked"	"CNC(=O)OC1=CC=CC2OC(C)OC=21"	"?"	"InChI=1S/C10H11NO4/c1-6-13-7-4-3-5-8(9(7)14-6)15-10(12)11-2/h3-6H,1-2H3,(H,11,12)"	"QHKDMSISFRSDRQ-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"22791-23-7"	"DTXSID70177334"	"1,3-Benzodioxol-4-ol, methylcarbamate"	"EPA_DSSTox"	"CNC(=O)OC1=CC=CC2OCOC=21"	"?"	"InChI=1S/C9H9NO4/c1-10-9(11)14-7-4-2-3-6-8(7)13-5-12-6/h2-4H,5H2,1H3,(H,10,11)"	"JUUUMPAIZNPCBV-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"22791-25-9"	"DTXSID30177335"	"Carbamic acid, 2-propynyl-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester"	"EPA_DSSTox"	"CC1(C)OC2C=CC=C(OC(=O)NCC#C)C=2O1"	"?"	"InChI=1S/C13H13NO4/c1-4-8-14-12(15)16-9-6-5-7-10-11(9)18-13(2,3)17-10/h1,5-7H,8H2,2-3H3,(H,14,15)"	"ZMJFTKTUGISURY-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"22791-26-0"	"DTXSID90177336"	"Carbamic acid, 2-propenyl-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester"	"EPA_DSSTox"	"CC1(C)OC2C=CC=C(OC(=O)NCC=C)C=2O1"	"?"	"InChI=1S/C13H15NO4/c1-4-8-14-12(15)16-9-6-5-7-10-11(9)18-13(2,3)17-10/h4-7H,1,8H2,2-3H3,(H,14,15)"	"SGGUYMMOZARFCS-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"22791-33-9"	"DTXSID10177338"	"Carbamic acid, acetylmethyl-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester"	"EPA_DSSTox"	"CC(=O)N(C)C(=O)OC1=CC=CC2OC(C)(C)OC=21"	"?"	"InChI=1S/C13H15NO5/c1-8(15)14(4)12(16)17-9-6-5-7-10-11(9)19-13(2,3)18-10/h5-7H,1-4H3"	"UICJWYDZUNCXQM-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"22791-34-0"	"DTXSID70177339"	"Carbamic acid, acetyl-2-propynyl-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester"	"EPA_DSSTox"	"CC(=O)N(CC#C)C(=O)OC1=CC=CC2OC(C)(C)OC=21"	"?"	"InChI=1S/C15H15NO5/c1-5-9-16(10(2)17)14(18)19-11-7-6-8-12-13(11)21-15(3,4)20-12/h1,6-8H,9H2,2-4H3"	"MEJKGKQUWQFGMV-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"2282-34-0"	"DTXSID6042103"	"m-(1-Methylbutyl)phenyl methylcarbamate"	"EPA_DSSTox"	"CCCC(C)C1C=C(C=CC=1)OC(=O)NC"	"?"	"InChI=1S/C13H19NO2/c1-4-6-10(2)11-7-5-8-12(9-11)16-13(15)14-3/h5,7-10H,4,6H2,1-3H3,(H,14,15)"	"LHTOXQCYXYXXEZ-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"22832-87-7"	NA	NA	"Public_CrossChecked"	"ClC1=CC(Cl)=C(C=C1)C(CN1C=NC=C1)OCC1=CC=C(Cl)C=C1Cl"	"[N+](=O)(O)[O-]"	"InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2"	"BYBLEWFAAKGYCD-UHFFFAOYSA-N"	FALSE	FALSE	920	3	4
"22839-47-0"	"DTXSID0020107"	"Aspartame"	"EPA_DSSTox"	"COC(=O)C(CC1C=CC=CC=1)NC(=O)C(N)CC(O)=O"	"?"	"InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)"	"IAOZJIPTCAWIRG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2285-12-3"	"DTXSID10177393"	"Isocyanic acid, (alpha,alpha,alpha-trifluoro-o-tolyl) ester"	"EPA_DSSTox"	"O=C=NC1C=CC=CC=1C(F)(F)F"	"?"	"InChI=1S/C8H4F3NO/c9-8(10,11)6-3-1-2-4-7(6)12-5-13/h1-4H"	"GZWGTVZRRFPVAS-UHFFFAOYSA-N"	FALSE	TRUE	7000	4	5
"22850-19-7"	NA	NA	"Public_CrossChecked"	"CN(C)P(=S)(Cl)N1C=NC=C1"	"?"	"InChI=1S/C5H9ClN3PS/c1-8(2)10(6,11)9-4-3-7-5-9/h3-5H,1-2H3"	"AYLKNHQYJHQJMG-UHFFFAOYSA-N"	TRUE	FALSE	0.75	1	1
"22855-57-8"	NA	NA	"Public_CrossChecked"	"O=C1CC(C2C=CC=C(Br)C=2)C(=O)N1"	"?"	"InChI=1S/C10H8BrNO2/c11-7-3-1-2-6(4-7)8-5-9(13)12-10(8)14/h1-4,8H,5H2,(H,12,13,14)"	"UTVDIOAGFGTMTM-UHFFFAOYSA-N"	FALSE	FALSE	1750	3	4
"22862-76-6"	"DTXSID5040966"	"Anisomycin"	"EPA_DSSTox"	"CC(=O)OC1C(O)CNC1CC1C=CC(=CC=1)OC"	"?"	"InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3"	"YKJYKKNCCRKFSL-UHFFFAOYSA-N"	FALSE	FALSE	72	2	3
"22876-19-3"	"DTXSID10177419"	"Benzoxazole, 5-chloro-2-mercapto-"	"EPA_DSSTox"	"S=C1NC2C=C(Cl)C=CC=2O1"	"?"	"InChI=1S/C7H4ClNOS/c8-4-1-2-6-5(3-4)9-7(11)10-6/h1-3H,(H,9,11)"	"BOBIZYYFYLLRAH-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"22936-86-3"	"DTXSID6040294"	"Cyprazine"	"EPA_DSSTox"	"CC(C)NC1=NC(NC2CC2)=NC(Cl)=N1"	"?"	"InChI=1S/C9H14ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6-3-4-6/h5-6H,3-4H2,1-2H3,(H2,11,12,13,14,15)"	"OOHIAOSLOGDBCE-UHFFFAOYSA-N"	FALSE	FALSE	516	3	4
"2295-58-1"	"DTXSID3045851"	"Flopropione"	"EPA_DSSTox"	"CCC(=O)C1C(O)=CC(O)=CC=1O"	"?"	"InChI=1S/C9H10O4/c1-2-6(11)9-7(12)3-5(10)4-8(9)13/h3-4,10,12-13H,2H2,1H3"	"PTHLEKANMPKYDB-UHFFFAOYSA-N"	FALSE	TRUE	2380	3	5
"22952-87-0"	"DTXSID90177497"	"Azidomorphine"	"EPA_DSSTox"	"CN1CCC23C4OC5=C(O)C=CC(CC1C2CCC4N=[N+]=N)=C35"	"?"	"InChI=1S/C17H20N4O2/c1-21-7-6-17-10-3-4-11(19-20-18)16(17)23-15-13(22)5-2-9(14(15)17)8-12(10)21/h2,5,10-12,16,18H,3-4,6-8H2,1H3/p+1"	"JNOVIOJKKTWTCD-UHFFFAOYSA-O"	FALSE	FALSE	62	2	3
"22958-08-3"	"DTXSID00177504"	"Azidocodeine"	"EPA_DSSTox"	"COC1C=CC2CC3C4CCC(N=[N+]=N)C5OC=1C=2C45CCN3C"	"?"	"InChI=1S/C18H23N4O2/c1-22-8-7-18-11-4-5-12(20-21-19)17(18)24-16-14(23-2)6-3-10(15(16)18)9-13(11)22/h3,6,11-13,17,19H,4-5,7-9H2,1-2H3/q+1"	"LBGLRFQDALQUCO-UHFFFAOYSA-N"	FALSE	FALSE	120	2	3
"2300-66-5"	"DTXSID9034369"	"Dicamba-dimethylammonium"	"EPA_DSSTox"	"COC1=C(C(O)=O)C(Cl)=CC=C1Cl"	"CNC"	"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"	FALSE	TRUE	2629	3	5
"2302-17-2"	"DTXSID1034420"	"Asulam-sodium"	"EPA_DSSTox"	"COC(=O)NS(=O)(=O)C1C=CC(N)=CC=1"	"[Na+]"	"InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)"	"VGPYEHKOIGNJKV-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"2302-30-9"	"DTXSID10177575"	"1H-Imidazole, 4,5-dibromo-"	"EPA_DSSTox"	"BrC1N=CNC=1Br"	"?"	"InChI=1S/C3H2Br2N2/c4-2-3(5)7-1-6-2/h1H,(H,6,7)"	"MYYYOBVDIRECDX-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"2303-16-4"	"DTXSID2020391"	"Diallate"	"EPA_DSSTox"	"CC(C)N(C(C)C)C(=O)SCC(Cl)=CCl"	"?"	"InChI=1S/C10H17Cl2NOS/c1-7(2)13(8(3)4)10(14)15-6-9(12)5-11/h5,7-8H,6H2,1-4H3"	"SPANOECCGNXGNR-UHFFFAOYSA-N"	FALSE	FALSE	395	2	4
"23031-36-9"	"DTXSID0032572"	"Prallethrin"	"EPA_DSSTox"	"CC(C)=CC1C(C(=O)OC2CC(=O)C(CC#C)=C2C)C1(C)C"	"?"	"InChI=1S/C19H24O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h1,9,14,16-17H,8,10H2,2-6H3"	"SMKRKQBMYOFFMU-UHFFFAOYSA-N"	FALSE	FALSE	460	2	4
"23031-38-1"	"DTXSID9058028"	"Furamethrin"	"EPA_DSSTox"	"CC(C)=CC1C(C(=O)OCC2=CC=C(CC#C)O2)C1(C)C"	"?"	"InChI=1S/C18H22O3/c1-6-7-13-8-9-14(21-13)11-20-17(19)16-15(10-12(2)3)18(16,4)5/h1,8-10,15-16H,7,11H2,2-5H3"	"FSYXMFXBRJFYBS-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"2304-30-5"	"DTXSID4044616"	"Tetrabutylphosphonium chloride"	"EPA_DSSTox"	"CCCC[P+](CCCC)(CCCC)CCCC"	"[Cl-]"	"InChI=1S/C16H36P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1"	"BJQWBACJIAKDTJ-UHFFFAOYSA-N"	FALSE	FALSE	916	3	4
"2307-49-5"	"DTXSID2042486"	"Tricamba"	"EPA_DSSTox"	"COC1C(C(O)=O)=C(Cl)C(Cl)=CC=1Cl"	"?"	"InChI=1S/C8H5Cl3O3/c1-14-7-4(10)2-3(9)6(11)5(7)8(12)13/h2H,1H3,(H,12,13)"	"WCLDITPGPXSPGV-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"2307-68-8"	"DTXSID3042265"	"Pentanochlor"	"EPA_DSSTox"	"CC1C=CC(=CC=1Cl)NC(=O)C(C)CCC"	"?"	"InChI=1S/C13H18ClNO/c1-4-5-10(3)13(16)15-11-7-6-9(2)12(14)8-11/h6-8,10H,4-5H2,1-3H3,(H,15,16)"	"WGVWLKXZBUVUAM-UHFFFAOYSA-N"	FALSE	TRUE	5100	4	5
"23079-28-9"	"DTXSID20177647"	"Triisopentylphosphine oxide"	"EPA_DSSTox"	"CC(C)CCP(=O)(CCC(C)C)CCC(C)C"	"?"	"InChI=1S/C15H33OP/c1-13(2)7-10-17(16,11-8-14(3)4)12-9-15(5)6/h13-15H,7-12H2,1-6H3"	"WRLIIBLDYPFTLG-UHFFFAOYSA-N"	FALSE	TRUE	2236	3	5
"2308-57-8"	"DTXSID70177652"	"2H-Purin-2-one, 1,3-dihydro-"	"EPA_DSSTox"	"O=C1NC2N=CNC=2C=N1"	"?"	"InChI=1S/C5H4N4O/c10-5-6-1-3-4(9-5)8-2-7-3/h1-2H,(H2,6,7,8,9,10)"	"CRIZPXKICGBNKG-UHFFFAOYSA-N"	FALSE	FALSE	1035	3	4
"23093-74-5"	NA	NA	"Public_CrossChecked"	"CC(C)(C)NCC(O)COC1C=CC=CC=1C#N"	"Cl"	"InChI=1S/C14H20N2O2/c1-14(2,3)16-9-12(17)10-18-13-7-5-4-6-11(13)8-15/h4-7,12,16-17H,9-10H2,1-3H3"	"VCVQSRCYSKKPBA-UHFFFAOYSA-N"	FALSE	FALSE	639	3	4
"23093-93-8"	NA	NA	"Public_CrossChecked"	"[O-][N+](=O)C1C=CC(=CC=1)S(=O)(=O)NC1C=CC(=CC=1)NC(=O)CCC(O)=O"	"?"	"InChI=1S/C16H15N3O7S/c20-15(9-10-16(21)22)17-11-1-3-12(4-2-11)18-27(25,26)14-7-5-13(6-8-14)19(23)24/h1-8,18H,9-10H2,(H,17,20)(H,21,22)"	"YCQITKSJXRHLTF-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"23093-94-9"	"DTXSID60177661"	"Succinanilic acid, 4'-sulfanilamido-"	"EPA_DSSTox"	"NC1C=CC(=CC=1)S(=O)(=O)NC1=CC=C(C=C1)NC(=O)CCC(O)=O"	"?"	"InChI=1S/C16H17N3O5S/c17-11-1-7-14(8-2-11)25(23,24)19-13-5-3-12(4-6-13)18-15(20)9-10-16(21)22/h1-8,19H,9-10,17H2,(H,18,20)(H,21,22)"	"GWEOSLXSLNWSDS-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"2310-17-0"	"DTXSID1024259"	"Phosalone"	"EPA_DSSTox"	"CCOP(=S)(OCC)SCN1C(=O)OC2C=C(Cl)C=CC1=2"	"?"	"InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3"	"IOUNQDKNJZEDEP-UHFFFAOYSA-N"	FALSE	FALSE	85	2	3
"23103-98-2"	"DTXSID1032569"	"Pirimicarb"	"EPA_DSSTox"	"CC1N=C(N=C(OC(=O)N(C)C)C=1C)N(C)C"	"?"	"InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3"	"YFGYUFNIOHWBOB-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"2312-35-8"	"DTXSID4024276"	"Propargite"	"EPA_DSSTox"	"CC(C)(C)C1=CC=C(C=C1)OC1CCCCC1OS(=O)OCC#C"	"?"	"InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3"	"ZYHMJXZULPZUED-UHFFFAOYSA-N"	FALSE	TRUE	2200	3	5
"2312-73-4"	"DTXSID8038801"	"N-Benzyl-9-(tetrahydro-2H-pyran-2-yl)adenine"	"EPA_DSSTox"	"C(NC1=NC=NC2=C1N=CN2C1CCCCO1)C1C=CC=CC=1"	"?"	"InChI=1S/C17H19N5O/c1-2-6-13(7-3-1)10-18-16-15-17(20-11-19-16)22(12-21-15)14-8-4-5-9-23-14/h1-3,6-7,11-12,14H,4-5,8-10H2,(H,18,19,20)"	"POFWRMVFWIJXHP-UHFFFAOYSA-N"	FALSE	FALSE	1640	3	4
"2312-76-7"	"DTXSID1034898"	"Sodium 4,6-dinitro-2-methylphenolate"	"EPA_DSSTox"	"CC1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O"	"[Na+]"	"InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3"	"ZXVONLUNISGICL-UHFFFAOYSA-N"	TRUE	FALSE	26	1	2
"23128-74-7"	"DTXSID5044233"	"Antioxidant 1098"	"EPA_DSSTox"	"CC(C)(C)C1=CC(CCC(=O)NCCCCCCNC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C"	"?"	"InChI=1S/C40H64N2O4/c1-37(2,3)29-23-27(24-30(35(29)45)38(4,5)6)17-19-33(43)41-21-15-13-14-16-22-42-34(44)20-18-28-25-31(39(7,8)9)36(46)32(26-28)40(10,11)12/h23-26,45-46H,13-22H2,1-12H3,(H,41,43)(H,42,44)"	"OKOBUGCCXMIKDM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"23135-22-0"	"DTXSID6021086"	"Oxamyl"	"EPA_DSSTox"	"CNC(=O)ON=C(SC)C(=O)N(C)C"	"?"	"InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)"	"KZAUOCCYDRDERY-UHFFFAOYSA-N"	TRUE	FALSE	2.5	1	1
"2314-09-2"	"DTXSID5041986"	"Flurenol-butyl"	"EPA_DSSTox"	"CCCCOC(=O)C1(O)C2C=CC=CC=2C2C=CC=CC1=2"	"?"	"InChI=1S/C18H18O3/c1-2-3-12-21-17(19)18(20)15-10-6-4-8-13(15)14-9-5-7-11-16(14)18/h4-11,20H,2-3,12H2,1H3"	"PSGPXWYGJGGEEG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2314-17-2"	"DTXSID60177707"	"Butylcaptax"	"EPA_DSSTox"	"CCCCSC1=NC2C=CC=CC=2S1"	"?"	"InChI=1S/C11H13NS2/c1-2-3-8-13-11-12-9-6-4-5-7-10(9)14-11/h4-7H,2-3,8H2,1H3"	"PXSCUDKGNNWGBZ-UHFFFAOYSA-N"	FALSE	FALSE	1270	3	4
"23142-01-0"	"DTXSID10177717"	"Carbetapentane citrate [NF]"	"EPA_DSSTox"	"CCN(CCOCCOC(=O)C1(CCCC1)C1C=CC=CC=1)CC"	"OC(CC(O)=O)(CC(O)=O)C(O)=O"	"InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3"	"CFJMRBQWBDQYMK-UHFFFAOYSA-N"	FALSE	FALSE	810	3	4
"2315-02-8"	"DTXSID80177729"	"Oxymetazoline hydrochloride"	"EPA_DSSTox"	"CC1C(O)=C(C=C(C)C=1CC1NCCN=1)C(C)(C)C"	"Cl"	"InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)"	"WYWIFABBXFUGLM-UHFFFAOYSA-N"	TRUE	FALSE	0.68	1	1
"2315-36-8"	"DTXSID7062326"	"Acetamide, 2-chloro-N,N-diethyl-"	"EPA_DSSTox"	"CCN(CC)C(=O)CCl"	"?"	"InChI=1S/C6H12ClNO/c1-3-8(4-2)6(9)5-7/h3-5H2,1-2H3"	"CQQUWTMMFMJEFE-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"2315-43-7"	"DTXSID6073289"	"1-Butanamine, N,N,3-trimethyl-"	"EPA_DSSTox"	"CC(C)CCN(C)C"	"?"	"InChI=1S/C7H17N/c1-7(2)5-6-8(3)4/h7H,5-6H2,1-4H3"	"KOOQJINBDNZUTB-UHFFFAOYSA-N"	FALSE	FALSE	225	2	3
"23158-25-0"	NA	NA	"Public_CrossChecked"	"COC1=CC2C3CC(=O)C(CN3CCC=2C=C1OC)CCC#N"	"?"	"InChI=1S/C18H22N2O3/c1-22-17-8-12-5-7-20-11-13(4-3-6-19)16(21)10-15(20)14(12)9-18(17)23-2/h8-9,13,15H,3-5,7,10-11H2,1-2H3"	"QLSCNQCATINUIJ-UHFFFAOYSA-N"	FALSE	FALSE	620	3	4
"23184-66-9"	"DTXSID3034402"	"Butachlor"	"EPA_DSSTox"	"CCCCOCN(C(=O)CCl)C1C(CC)=CC=CC=1CC"	"?"	"InChI=1S/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3"	"HKPHPIREJKHECO-UHFFFAOYSA-N"	FALSE	FALSE	1740	3	4
"23191-75-5"	"DTXSID00177766"	"SK&F 24260"	"EPA_DSSTox"	"CC1NC(C)=C(C(C=1C(=O)OCC)C1C=CC=CC=1C(F)(F)F)C(=O)OCC"	"?"	"InChI=1S/C20H22F3NO4/c1-5-27-18(25)15-11(3)24-12(4)16(19(26)28-6-2)17(15)13-9-7-8-10-14(13)20(21,22)23/h7-10,17,24H,5-6H2,1-4H3"	"ACZJZGLXRPZSLI-UHFFFAOYSA-N"	FALSE	FALSE	1225	3	4
"23192-94-1"	"DTXSID20177768"	"2,4(1H,3H)-Pyridinedione, 3,3-diethyl-1-(morpholinomethyl)-"	"EPA_DSSTox"	"CCC1(CC)C(=O)N(CN2CCOCC2)C=CC1=O"	"?"	"InChI=1S/C14H22N2O3/c1-3-14(4-2)12(17)5-6-16(13(14)18)11-15-7-9-19-10-8-15/h5-6H,3-4,7-11H2,1-2H3"	"CRTMJOGETSPLQO-UHFFFAOYSA-N"	FALSE	FALSE	1950	3	4
"23205-22-3"	NA	NA	"Public_CrossChecked"	"CCN(CCNC(=O)C1C=C(Cl)C(N)=CC=1OCC1C=CC=CC=1)CC"	"?"	"InChI=1S/C20H26ClN3O2/c1-3-24(4-2)11-10-23-20(25)16-12-17(21)18(22)13-19(16)26-14-15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14,22H2,1-2H3,(H,23,25)"	"RNDGARWUQSIOQW-UHFFFAOYSA-N"	FALSE	FALSE	220	2	3
"23205-23-4"	"DTXSID60177787"	"Benzamide, 4-amino-2-(benzyloxy)-5-chloro-N-(2-morpholinoethyl)-"	"EPA_DSSTox"	"NC1=CC(OCC2C=CC=CC=2)=C(C=C1Cl)C(=O)NCCN1CCOCC1"	"?"	"InChI=1S/C20H24ClN3O3/c21-17-12-16(20(25)23-6-7-24-8-10-26-11-9-24)19(13-18(17)22)27-14-15-4-2-1-3-5-15/h1-5,12-13H,6-11,14,22H2,(H,23,25)"	"BYILAFYHQWADTR-UHFFFAOYSA-N"	TRUE	FALSE	1.5	1	1
"23205-24-5"	NA	NA	"Public_CrossChecked"	"CCN1CCCC1CNC(=O)C1C=C(Cl)C=C(Cl)C=1OCC1C=CC=CC=1"	"?"	"InChI=1S/C21H24Cl2N2O2/c1-2-25-10-6-9-17(25)13-24-21(26)18-11-16(22)12-19(23)20(18)27-14-15-7-4-3-5-8-15/h3-5,7-8,11-12,17H,2,6,9-10,13-14H2,1H3,(H,24,26)"	"NSHCYKGCMPCBBA-UHFFFAOYSA-N"	FALSE	FALSE	576	3	4
"23211-47-4"	NA	NA	"Public_CrossChecked"	"OC1C2C(=CC(=CC=2C=C(C=1N=NC1C=CC=CC=1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)NC1=NC(Cl)=NC(NC2=CC=CC=C2)=N1"	"[Na+].[Na+].[Na+]"	"InChI=1S/C25H18ClN7O10S3/c26-23-29-24(27-14-6-2-1-3-7-14)31-25(30-23)28-17-12-15(44(35,36)37)10-13-11-19(46(41,42)43)21(22(34)20(13)17)33-32-16-8-4-5-9-18(16)45(38,39)40/h1-12,34H,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H2,27,28,29,30,31)"	"YWERRMQUIDISQM-UHFFFAOYSA-N"	FALSE	TRUE	6730	4	5
"23233-88-7"	"DTXSID00177807"	"Brotianide"	"EPA_DSSTox"	"CC(=O)OC1C(=CC(Cl)=CC=1Br)C(=S)NC1C=CC(Br)=CC=1"	"?"	"InChI=1S/C15H10Br2ClNO2S/c1-8(20)21-14-12(6-10(18)7-13(14)17)15(22)19-11-4-2-9(16)3-5-11/h2-7H,1H3,(H,19,22)"	"NRFGEDASJHBPPN-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"23239-21-6"	NA	NA	"Public_CrossChecked"	"CCOC1CC2CN3CCC4C5C=CC(=CC=5NC=4C3CC2C(C1OC)C(=O)OC)OC"	"C(=C/C(=O)O)/C(=O)O"	"InChI=1S/C25H34N2O5/c1-5-32-21-10-14-13-27-9-8-17-16-7-6-15(29-2)11-19(16)26-23(17)20(27)12-18(14)22(24(21)30-3)25(28)31-4/h6-7,11,14,18,20-22,24,26H,5,8-10,12-13H2,1-4H3"	"HJPNNIBPMMYVBA-UHFFFAOYSA-N"	FALSE	FALSE	187	2	3
"23239-51-2"	"DTXSID8045438"	"Ritodrine hydrochloride"	"EPA_DSSTox"	"CC(NCCC1C=CC(O)=CC=1)C(O)C1C=CC(O)=CC=1"	"Cl"	"InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3"	"IOVGROKTTNBUGK-UHFFFAOYSA-N"	FALSE	FALSE	1840	3	4
"23239-75-0"	"DTXSID20177809"	"4-Benzylpiperidine hydrochloride"	"EPA_DSSTox"	"C(C1CCNCC1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C12H17N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5,12-13H,6-10H2"	"ABGXADJDTPFFSZ-UHFFFAOYSA-N"	FALSE	FALSE	540	3	4
"23239-78-3"	"DTXSID30177810"	"Pridefine hydrochloride"	"EPA_DSSTox"	"CCN1CC(CC1)=C(C1C=CC=CC=1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C19H21N/c1-2-20-14-13-18(15-20)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3"	"BJUHVJHOJBHLJS-UHFFFAOYSA-N"	FALSE	FALSE	166	2	3
"2324-94-9"	NA	NA	"Public_CrossChecked"	"CCCC1(CN(C)CC1)C1C=CC=C(O)C=1"	"Cl"	"InChI=1S/C14H21NO/c1-3-7-14(8-9-15(2)11-14)12-5-4-6-13(16)10-12/h4-6,10,16H,3,7-9,11H2,1-2H3"	"VFUGCQKESINERB-UHFFFAOYSA-N"	FALSE	FALSE	231	2	3
"23249-97-0"	"DTXSID5045093"	"Procodazole"	"EPA_DSSTox"	"OC(=O)CCC1NC2C=CC=CC=2N=1"	"?"	"InChI=1S/C10H10N2O2/c13-10(14)6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)(H,13,14)"	"XYWJNTOURDMTPI-UHFFFAOYSA-N"	FALSE	FALSE	1700	3	4
"23256-30-6"	"DTXSID3045439"	"Nifurtimox"	"EPA_DSSTox"	"CC1CS(=O)(=O)CCN1N=CC1=CC=C(O1)[N+]([O-])=O"	"?"	"InChI=1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3"	"ARFHIAQFJWUCFH-UHFFFAOYSA-N"	FALSE	TRUE	4050	3	5
"23257-58-1"	NA	NA	"Public_CrossChecked"	"C1OC(OC1C1CCCCN1)(C1=CC=CC=C1)C1=CC=CC=C1"	"Cl"	"InChI=1S/C20H23NO2/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)22-15-19(23-20)18-13-7-8-14-21-18/h1-6,9-12,18-19,21H,7-8,13-15H2"	"HGKAMARNFGKMLC-UHFFFAOYSA-N"	FALSE	FALSE	310	2	4
"23261-20-3"	"DTXSID90878831"	"1,2:5,6-DIANHYDROGALACTITOL"	"EPA_DSSTox"	"OC(C1CO1)C(O)C1CO1"	"?"	"InChI=1S/C6H10O4/c7-5(3-1-9-3)6(8)4-2-10-4/h3-8H,1-2H2"	"AAFJXZWCNVJTMK-UHFFFAOYSA-N"	TRUE	FALSE	14	1	2
"2327-02-8"	"DTXSID2041468"	"3,4-Dichlorophenylurea"	"EPA_DSSTox"	"NC(=O)NC1C=C(Cl)C(Cl)=CC=1"	"?"	"InChI=1S/C7H6Cl2N2O/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,(H3,10,11,12)"	"CYESCLHCWJKRKM-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"23287-26-5"	"DTXSID1066869"	"Benzoic acid, 2-hydroxy-3-methyl-, methyl ester"	"EPA_DSSTox"	"CC1=CC=CC(=C1O)C(=O)OC"	"?"	"InChI=1S/C9H10O3/c1-6-4-3-5-7(8(6)10)9(11)12-2/h3-5,10H,1-2H3"	"SUHLUMKZPUMAFP-UHFFFAOYSA-N"	FALSE	TRUE	3840	3	5
"23288-49-5"	"DTXSID2045440"	"Probucol"	"EPA_DSSTox"	"CC(C)(SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C"	"?"	"InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3"	"FYPMFJGVHOHGLL-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"232938-43-1"	"DTXSID90872910"	"Pergafast 201"	"EPA_DSSTox"	"CC1C=CC(=CC=1)S(=O)(=O)NC(=O)NC1C=C(C=CC=1)OS(=O)(=O)C1C=CC(C)=CC=1"	"?"	"InChI=1S/C21H20N2O6S2/c1-15-6-10-19(11-7-15)30(25,26)23-21(24)22-17-4-3-5-18(14-17)29-31(27,28)20-12-8-16(2)9-13-20/h3-14H,1-2H3,(H2,22,23,24)"	"HEVGMYPGMWZOBU-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"23327-57-3"	"DTXSID7045441"	"Nefopam hydrochloride"	"EPA_DSSTox"	"CN1CC2C=CC=CC=2C(OCC1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C17H19NO/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18/h2-10,17H,11-13H2,1H3"	"RGPDEAGGEXEMMM-UHFFFAOYSA-N"	FALSE	FALSE	80	2	3
"2338-18-3"	"DTXSID70177930"	"2-Indanamine, hydrochloride"	"EPA_DSSTox"	"NC1CC2C=CC=CC=2C1"	"Cl"	"InChI=1S/C9H11N/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6,10H2"	"LMHHFZAXSANGGM-UHFFFAOYSA-N"	FALSE	FALSE	326	2	4
"2338-24-1"	"DTXSID50177933"	"Benzimidazole, 5,6-dinitro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC2NC(=NC=2C=C1[N+]([O-])=O)C(F)(F)F"	"?"	"InChI=1S/C8H3F3N4O4/c9-8(10,11)7-12-3-1-5(14(16)17)6(15(18)19)2-4(3)13-7/h1-2H,(H,12,13)"	"OOJCWFWANPATNU-UHFFFAOYSA-N"	TRUE	FALSE	15.174	1	2
"2338-25-2"	"DTXSID10177934"	"1H-Benzimidazole, 5,6-dichloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1NC2C=C(Cl)C(Cl)=CC=2N=1"	"?"	"InChI=1S/C8H3Cl2F3N2/c9-3-1-5-6(2-4(3)10)15-7(14-5)8(11,12)13/h1-2H,(H,14,15)"	"KUMRUFFLHYXFLV-UHFFFAOYSA-N"	TRUE	FALSE	7.881	1	2
"2338-27-4"	"DTXSID70177935"	"Benzimidazole, 4,5,6-trichloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1NC2=CC(Cl)=C(Cl)C(Cl)=C2N=1"	"?"	"InChI=1S/C8H2Cl3F3N2/c9-2-1-3-6(5(11)4(2)10)16-7(15-3)8(12,13)14/h1H,(H,15,16)"	"BXCSXZJKEJQDKS-UHFFFAOYSA-N"	TRUE	FALSE	1.519	1	1
"2338-29-6"	"DTXSID30177936"	"4,5,6,7-Tetrachloro-2-trifluoromethylbenzimidazole"	"EPA_DSSTox"	"FC(F)(F)C1NC2C(N=1)=C(Cl)C(Cl)=C(Cl)C=2Cl"	"?"	"InChI=1S/C8HCl4F3N2/c9-1-2(10)4(12)6-5(3(1)11)16-7(17-6)8(13,14)15/h(H,16,17)"	"QLKDMIUEWFNEPV-UHFFFAOYSA-N"	TRUE	FALSE	0.245	1	1
"2338-30-9"	"DTXSID90177937"	"Benzimidazole, 4,5,6,7-tetrabromo-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1NC2C(N=1)=C(Br)C(Br)=C(Br)C=2Br"	"?"	"InChI=1S/C8HBr4F3N2/c9-1-2(10)4(12)6-5(3(1)11)16-7(17-6)8(13,14)15/h(H,16,17)"	"AGSFSCDYZMGUGS-UHFFFAOYSA-N"	TRUE	FALSE	5.017	1	2
"2338-31-0"	"DTXSID50177938"	"Benzimidazole, 4-chloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1NC2=CC=CC(Cl)=C2N=1"	"?"	"InChI=1S/C8H4ClF3N2/c9-4-2-1-3-5-6(4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14)"	"WUDKQPQAAUQCLT-UHFFFAOYSA-N"	TRUE	FALSE	19.21	1	2
"23395-20-2"	"DTXSID60177949"	"2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(hydroxymethyl)-, methacrylate"	"EPA_DSSTox"	"CC(=C)C(=O)OC[Si]12OCCN(CCO1)CCO2"	"?"	"InChI=1S/C11H19NO5Si/c1-10(2)11(13)14-9-18-15-6-3-12(4-7-16-18)5-8-17-18/h1,3-9H2,2H3"	"CMQAKAKMGJTASF-UHFFFAOYSA-N"	FALSE	TRUE	7950	4	5
"23422-53-9"	"DTXSID4032405"	"Formetanate hydrochloride"	"EPA_DSSTox"	"CNC(=O)OC1C=C(C=CC=1)N=CN(C)C"	"Cl"	"InChI=1S/C11H15N3O2/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3/h4-8H,1-3H3,(H,12,15)"	"RMFNNCGOSPBBAD-UHFFFAOYSA-N"	TRUE	FALSE	20	1	2
"23433-04-7"	NA	NA	"Public_CrossChecked"	"CCCCC(O)CCO"	"?"	"InChI=1S/C7H16O2/c1-2-3-4-7(9)5-6-8/h7-9H,2-6H2,1H3"	"HTXVEEVTGGCUNC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"23433-05-8"	NA	NA	"Public_CrossChecked"	"CCCCCC(O)CCO"	"?"	"InChI=1S/C8H18O2/c1-2-3-4-5-8(10)6-7-9/h8-10H,2-7H2,1H3"	"DCTMXCOHGKSXIZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"23436-19-3"	"DTXSID3051888"	"1-Isobutoxypropan-2-ol"	"EPA_DSSTox"	"CC(C)COCC(C)O"	"?"	"InChI=1S/C7H16O2/c1-6(2)4-9-5-7(3)8/h6-8H,4-5H2,1-3H3"	"MWGRRMQNSQNFID-UHFFFAOYSA-N"	FALSE	TRUE	4290	3	5
"23444-65-7"	NA	NA	"Public_CrossChecked"	"CC(C)=CCC(O)C1=CC(=O)C2=C(C1=O)C(O)=CC=C2O"	"?"	"InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3"	"NEZONWMXZKDMKF-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"2345-24-6"	"DTXSID30883828"	"Propanoic acid, 2-methyl-, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester"	"EPA_DSSTox"	"CC(C)=CCCC(C)=CCOC(=O)C(C)C"	"?"	"InChI=1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3"	"OGJYXQFXLSCKTP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2345-26-8"	"DTXSID8051889"	"(2E)-3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate"	"EPA_DSSTox"	"CC(C)=CCCC(C)=CCOC(=O)C(C)C"	"?"	"InChI=1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3"	"OGJYXQFXLSCKTP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2345-38-2"	"DTXSID6062335"	"Acetic acid, (trimethylsilyl)-"	"EPA_DSSTox"	"C[Si](C)(C)CC(O)=O"	"?"	"InChI=1S/C5H12O2Si/c1-8(2,3)4-5(6)7/h4H2,1-3H3,(H,6,7)"	"JDMMZVAKMAONFU-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"23456-93-1"	NA	NA	"Public_CrossChecked"	"CN(C)N=NC1C=CC(I)=CC=1"	"?"	"InChI=1S/C8H10IN3/c1-12(2)11-10-8-5-3-7(9)4-6-8/h3-6H,1-2H3"	"YONGWAYQQVMIBR-UHFFFAOYSA-N"	FALSE	FALSE	574	3	4
"23477-98-7"	NA	NA	"Public_CrossChecked"	"CC1C2CC(C=CC(C)=CCC(O)C=CC(C)=CC(NC(=O)C(C)=O)C(C)(C1=O)C(=O)O2)OC(C)=O |c:5,8,13,16|"	"?"	"InChI=1S/C27H35NO8/c1-15-7-10-20(31)11-8-16(2)13-23(28-25(33)18(4)29)27(6)24(32)17(3)22(36-26(27)34)14-21(12-9-15)35-19(5)30/h7-9,11-13,17,20-23,31H,10,14H2,1-6H3,(H,28,33)/b11-8-,12-9-,15-7-,16-13-"	"LSNBAGMWJRMBEO-SZIOJBFTSA-N"	FALSE	TRUE	NA	4	5
"23485-79-2"	NA	NA	"Public_CrossChecked"	"COC1=CC=C(C=C1)SP(=S)(CCl)OC(C)C"	"?"	"InChI=1S/C11H16ClO2PS2/c1-9(2)14-15(16,8-12)17-11-6-4-10(13-3)5-7-11/h4-7,9H,8H2,1-3H3"	"KNGSGKBPFQPTDE-UHFFFAOYSA-N"	FALSE	FALSE	108	2	3
"23495-12-7"	"DTXSID9047203"	"Phenoxyethyl propionate"	"EPA_DSSTox"	"CCC(=O)OCCOC1C=CC=CC=1"	"?"	"InChI=1S/C11H14O3/c1-2-11(12)14-9-8-13-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3"	"FKTSMIXZGPUSJB-UHFFFAOYSA-N"	FALSE	TRUE	4400	3	5
"23504-07-6"	NA	NA	"Public_CrossChecked"	"CNC(=O)OC1C=CC=CC=1N(C)CC#C"	"?"	"InChI=1S/C12H14N2O2/c1-4-9-14(3)10-7-5-6-8-11(10)16-12(15)13-2/h1,5-8H,9H2,2-3H3,(H,13,15)"	"GJYRCEALCUOYBO-UHFFFAOYSA-N"	FALSE	FALSE	60	2	3
"23505-41-1"	"DTXSID5042297"	"Pirimiphos-ethyl"	"EPA_DSSTox"	"CC1C=C(N=C(N=1)N(CC)CC)OP(=S)(OCC)OCC"	"?"	"InChI=1S/C13H24N3O3PS/c1-6-16(7-2)13-14-11(5)10-12(15-13)19-20(21,17-8-3)18-9-4/h10H,6-9H2,1-5H3"	"TZBPRYIIJAJUOY-UHFFFAOYSA-N"	FALSE	FALSE	140	2	3
"23510-39-6"	NA	NA	"Public_CrossChecked"	"CCOP(O)(=O)CCCl"	"?"	"InChI=1S/C4H10ClO3P/c1-2-8-9(6,7)4-3-5/h2-4H2,1H3,(H,6,7)"	"BOEGWRHPJUASPQ-UHFFFAOYSA-N"	FALSE	FALSE	1250	3	4
"2353-45-9"	"DTXSID3020673"	"FD&C Green No. 3"	"EPA_DSSTox"	"CCN(CC1=CC(=CC=C1)S(O)(=O)=O)C1C=CC(=CC=1)C(C1C=CC(O)=CC=1S(O)(=O)=O)=C1C=CC(C=C1)=[N+](CC1=CC(=CC=C1)S(O)(=O)=O)CC |c:34,t:41|"	"[Na+].[Na+]"	"InChI=1S/C37H36N2O10S3/c1-3-38(24-26-7-5-9-33(21-26)50(41,42)43)30-15-11-28(12-16-30)37(35-20-19-32(40)23-36(35)52(47,48)49)29-13-17-31(18-14-29)39(4-2)25-27-8-6-10-34(22-27)51(44,45)46/h5-23H,3-4,24-25H2,1-2H3,(H3,41,42,43,44,45,46,47,48,49)/p+1"	"VVJKKKDJADMKNM-UHFFFAOYSA-O"	FALSE	TRUE	NA	3	5
"2354-61-2"	"DTXSID50178122"	"Butropipazone"	"EPA_DSSTox"	"O=C(CCCN1CCN(CC1)C1C=CC=CC=1)C1C=CC(F)=CC=1"	"?"	"InChI=1S/C20H23FN2O/c21-18-10-8-17(9-11-18)20(24)7-4-12-22-13-15-23(16-14-22)19-5-2-1-3-6-19/h1-3,5-6,8-11H,4,7,12-16H2"	"QPHRVUMZLUQZGU-UHFFFAOYSA-N"	FALSE	FALSE	550	3	4
"23541-50-6"	"DTXSID0033382"	"Daunomycin hydrochloride"	"EPA_DSSTox"	"CC(=O)C1(O)CC2C(C(C1)OC1CC(N)C(O)C(C)O1)=C(O)C1=C(C(=O)C3C=CC=C(OC)C=3C1=O)C=2O"	"Cl"	"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"	FALSE	FALSE	290	2	3
"2355-43-3"	"DTXSID00178137"	"Benzimidazole, 4,5,6,7-tetrafluoro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC1=C2N=C(NC2=C(F)C(F)=C1F)C(F)(F)F"	"?"	"InChI=1S/C8HF7N2/c9-1-2(10)4(12)6-5(3(1)11)16-7(17-6)8(13,14)15/h(H,16,17)"	"OEDUVWQRVFPZFW-UHFFFAOYSA-N"	TRUE	FALSE	3.334	1	1
"23551-91-9"	"DTXSID30536680"	"2-Aminododecan-1-ol--hydrogen chloride (1/1)"	"EPA_DSSTox"	"CCCCCCCCCCC(N)CO"	"Cl"	"InChI=1S/C12H27NO/c1-2-3-4-5-6-7-8-9-10-12(13)11-14/h12,14H,2-11,13H2,1H3"	"VFAALMIZIKQCCB-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"2356-53-8"	NA	NA	"Public_CrossChecked"	"FC(F)(F)OC(F)(Cl)C(F)(F)Cl"	"?"	"InChI=1S/C3Cl2F6O/c4-1(6,7)2(5,8)12-3(9,10)11"	"PIHHZNWHYDIJIP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"23560-59-0"	"DTXSID5042037"	"Heptenophos"	"EPA_DSSTox"	"COP(=O)(OC1C2CC=CC2C=1Cl)OC"	"?"	"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"	FALSE	FALSE	96	2	3
"23564-06-9"	"DTXSID3034531"	"Thiophanate"	"EPA_DSSTox"	"CCOC(=O)NC(=S)NC1C=CC=CC=1NC(=S)NC(=O)OCC"	"?"	"InChI=1S/C14H18N4O4S2/c1-3-21-13(19)17-11(23)15-9-7-5-6-8-10(9)16-12(24)18-14(20)22-4-2/h5-8H,3-4H2,1-2H3,(H2,15,17,19,23)(H2,16,18,20,24)"	"YFNCATAIYKQPOO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"23588-51-4"	"DTXSID50389736"	"2,2-Dimethyl-3-(morpholin-4-yl)propanal"	"EPA_DSSTox"	"CC(C)(CN1CCOCC1)C=O"	"?"	"InChI=1S/C9H17NO2/c1-9(2,8-11)7-10-3-5-12-6-4-10/h8H,3-7H2,1-2H3"	"KVOOZKISXYTWCJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"23595-00-8"	"DTXSID50178243"	"1-(M-trifluoromethylphenyl)-N-nitrosoanthranilic acid"	"EPA_DSSTox"	"OC(=O)C1C=CC=CC=1N(N=O)C1C=C(C=CC=1)C(F)(F)F"	"?"	"InChI=1S/C14H9F3N2O3/c15-14(16,17)9-4-3-5-10(8-9)19(18-22)12-7-2-1-6-11(12)13(20)21/h1-8H,(H,20,21)"	"BDCPSOSZLWKCJC-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"23609-20-3"	"DTXSID90178262"	"Cyanoethyl-4-phenetidine"	"EPA_DSSTox"	"CCOC1C=CC(=CC=1)NCCC#N"	"?"	"InChI=1S/C11H14N2O/c1-2-14-11-6-4-10(5-7-11)13-9-3-8-12/h4-7,13H,2-3,9H2,1H3"	"YVJDQKHVINLCOY-UHFFFAOYSA-N"	FALSE	TRUE	4600	3	5
"236391-76-7"	"DTXSID0051360"	"Acetic acid, 2-(1-oxopropoxy)-, 1-(3,3-dimethylcyclohexyl)ethyl ester"	"EPA_DSSTox"	"CC(OC(=O)COC(=O)CC)C1CC(C)(C)CCC1"	"?"	"InChI=1S/C15H26O4/c1-5-13(16)18-10-14(17)19-11(2)12-7-6-8-15(3,4)9-12/h11-12H,5-10H2,1-4H3"	"PDUFSBFWOJELLV-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"23651-95-8"	"DTXSID6046422"	"Droxidopa"	"EPA_DSSTox"	"NC(C(O)C1C=CC(O)=C(O)C=1)C(O)=O"	"?"	"InChI=1S/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)"	"QXWYKJLNLSIPIN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"23657-27-4"	"DTXSID80178332"	"4,7-Methanobenzotrithiole, hexahydro-"	"EPA_DSSTox"	"C1C2CCC1C1SSSC21"	"?"	"InChI=1S/C7H10S3/c1-2-5-3-4(1)6-7(5)9-10-8-6/h4-7H,1-3H2"	"SBQNMCWSECNNTA-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"23672-07-3"	"DTXSID0042583"	"Levosulpiride"	"EPA_DSSTox"	"CCN1CCCC1CNC(=O)C1=CC(=CC=C1OC)S(N)(=O)=O"	"?"	"InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)"	"BGRJTUBHPOOWDU-UHFFFAOYSA-N"	FALSE	TRUE	2600	3	5
"23674-86-4"	"DTXSID0046773"	"Difluprednate"	"EPA_DSSTox"	"CC(=O)OCC(=O)C1(CCC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC12C)OC(=O)CCC"	"?"	"InChI=1S/C27H34F2O7/c1-5-6-23(34)36-26(22(33)14-35-15(2)30)10-8-17-18-12-20(28)19-11-16(31)7-9-24(19,3)27(18,29)21(32)13-25(17,26)4/h7,9,11,17-18,20-21,32H,5-6,8,10,12-14H2,1-4H3"	"WYQPLTPSGFELIB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"23684-11-9"	"DTXSID60178350"	"Methacrylic acid, ester with isopropyl glycolate"	"EPA_DSSTox"	"CC(=C)C(=O)OC(=O)COC(C)C"	"?"	"InChI=1S/C9H14O4/c1-6(2)9(11)13-8(10)5-12-7(3)4/h7H,1,5H2,2-4H3"	"OHBMDHCQVRSPBC-UHFFFAOYSA-N"	FALSE	TRUE	9000	4	5
"23696-28-8"	"DTXSID3040726"	"Olaquindox"	"EPA_DSSTox"	"CC1C(C(=O)NCCO)=[N+]([O-])C2C=CC=CC=2[N+]=1[O-]"	"?"	"InChI=1S/C12H13N3O4/c1-8-11(12(17)13-6-7-16)15(19)10-5-3-2-4-9(10)14(8)18/h2-5,16H,6-7H2,1H3,(H,13,17)"	"TURHTASYUMWZCC-UHFFFAOYSA-N"	FALSE	FALSE	1717	3	4
"2370-13-0"	"DTXSID50178364"	"1-Hexanol, 2,2-dimethyl-"	"EPA_DSSTox"	"CCCCC(C)(C)CO"	"?"	"InChI=1S/C8H18O/c1-4-5-6-8(2,3)7-9/h9H,4-7H2,1-3H3"	"GSSDZVRLQDXOPL-UHFFFAOYSA-N"	FALSE	TRUE	2200	3	5
"2372-82-9"	"DTXSID3041243"	"1,3-Propanediamine, N-(3-aminopropyl)-N-dodecyl-"	"EPA_DSSTox"	"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"	FALSE	FALSE	252.3	2	3
"23726-91-2"	"DTXSID7051890"	"(E)-beta-Damascone"	"EPA_DSSTox"	"CC1CCCC(C)(C)C=1C(=C)C=CC"	"?"	"InChI=1S/C14H22/c1-6-8-11(2)13-12(3)9-7-10-14(13,4)5/h6,8H,2,7,9-10H2,1,3-5H3"	"XEUHSZMVHNGCKF-UHFFFAOYSA-N"	FALSE	TRUE	2920	3	5
"2374-14-3"	"DTXSID7051892"	"2,4,6-Trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)cyclotrisiloxane"	"EPA_DSSTox"	"C[Si]1(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O1"	"?"	"InChI=1S/C12H21F9O3Si3/c1-25(7-4-10(13,14)15)22-26(2,8-5-11(16,17)18)24-27(3,23-25)9-6-12(19,20)21/h4-9H2,1-3H3"	"URZHQOCYXDNFGN-UHFFFAOYSA-N"	FALSE	FALSE	180	2	3
"23779-99-9"	"DTXSID8057695"	"Floctafenine"	"EPA_DSSTox"	"OCC(O)COC(=O)C1C=CC=CC=1NC1=CC=NC2C(=CC=CC1=2)C(F)(F)F"	"?"	"InChI=1S/C20H17F3N2O4/c21-20(22,23)15-6-3-5-13-17(8-9-24-18(13)15)25-16-7-2-1-4-14(16)19(28)29-11-12(27)10-26/h1-9,12,26-27H,10-11H2,(H,24,25)"	"APQPGQGAWABJLN-UHFFFAOYSA-N"	FALSE	FALSE	535	3	4
"23793-23-9"	"DTXSID20178477"	"4-Pyridinemethanol, 3-hydroxy-2-methyl-5-(methylthiomethyl)-, hydrochloride"	"EPA_DSSTox"	"CC1N=CC(CSC)=C(CO)C=1O"	"Cl"	"InChI=1S/C9H13NO2S/c1-6-9(12)8(4-11)7(3-10-6)5-13-2/h3,11-12H,4-5H2,1-2H3"	"YZCFCAJTKKMAAN-UHFFFAOYSA-N"	FALSE	TRUE	4300	3	5
"2380-63-4"	"DTXSID3062362"	"1H-Pyrazolo[3,4-d]pyrimidin-4-amine"	"EPA_DSSTox"	"NC1N=CN=C2NN=CC2=1"	"?"	"InChI=1S/C5H5N5/c6-4-3-1-9-10-5(3)8-2-7-4/h1-2H,(H3,6,7,8,9,10)"	"LHCPRYRLDOSKHK-UHFFFAOYSA-N"	FALSE	FALSE	141	2	3
"23828-92-4"	"DTXSID2045442"	"Ambroxolhydrochloride"	"EPA_DSSTox"	"NC1C(Br)=CC(Br)=CC=1CNC1CCC(O)CC1"	"Cl"	"InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2"	"JBDGDEWWOUBZPM-UHFFFAOYSA-N"	FALSE	TRUE	4203	3	5
"23844-24-8"	NA	NA	"Public_CrossChecked"	"CC(=O)OC1CC2C3C=C(OC)C(=CC=3CCN2CC1C(=O)N(CC)CC)OC"	"?"	"InChI=1S/C22H32N2O5/c1-6-23(7-2)22(26)17-13-24-9-8-15-10-20(27-4)21(28-5)11-16(15)18(24)12-19(17)29-14(3)25/h10-11,17-19H,6-9,12-13H2,1-5H3"	"JSZILQVIPPROJI-UHFFFAOYSA-N"	FALSE	FALSE	1050	3	4
"23847-08-7"	"DTXSID1044481"	"1,1'-Disulfanediyldiazepan-2-one"	"EPA_DSSTox"	"O=C1CCCCCN1SSN1CCCCCC1=O"	"?"	"InChI=1S/C12H20N2O2S2/c15-11-7-3-1-5-9-13(11)17-18-14-10-6-2-4-8-12(14)16/h1-10H2"	"LGBYJXBCVZKJBL-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"2385-81-1"	NA	NA	"Public_CrossChecked"	"CCOC(=O)C1(CCN(CCOCC2CCCO2)CC1)C1C=CC=CC=1"	"?"	"InChI=1S/C21H31NO4/c1-2-25-20(23)21(18-7-4-3-5-8-18)10-12-22(13-11-21)14-16-24-17-19-9-6-15-26-19/h3-5,7-8,19H,2,6,9-17H2,1H3"	"NNCOZXNZFLUYGG-UHFFFAOYSA-N"	FALSE	FALSE	135	2	3
"2385-85-5"	"DTXSID7020895"	"Mirex"	"EPA_DSSTox"	"ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C2(Cl)C2(Cl)C(Cl)(C3(Cl)C12Cl)C4(Cl)Cl"	"?"	"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"	FALSE	FALSE	235	2	3
"2386-56-3"	"DTXSID8062365"	"Methanesulfonic acid, potassium salt"	"EPA_DSSTox"	"CS(O)(=O)=O"	"[K+]"	"InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)"	"AFVFQIVMOAPDHO-UHFFFAOYSA-N"	FALSE	TRUE	6170	4	5
"2386-87-0"	"DTXSID2027466"	"UT-632"	"EPA_DSSTox"	"O=C(OCC1CC2OC2CC1)C1CC2OC2CC1"	"?"	"InChI=1S/C14H20O4/c15-14(9-2-4-11-13(6-9)18-11)16-7-8-1-3-10-12(5-8)17-10/h8-13H,1-7H2"	"YXALYBMHAYZKAP-UHFFFAOYSA-N"	FALSE	TRUE	4490	3	5
"2387-59-9"	"DTXSID9022738"	"Carbocysteine"	"EPA_DSSTox"	"NC(CSCC(O)=O)C(O)=O"	"?"	"InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)"	"GBFLZEXEOZUWRN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"23887-48-1"	NA	NA	"Public_CrossChecked"	"O=C1CCC(N1)C(=O)NC1CC1C1C=CC=CC=1"	"?"	"InChI=1S/C14H16N2O2/c17-13-7-6-11(15-13)14(18)16-12-8-10(12)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2,(H,15,17)(H,16,18)"	"UGSLDMJXBQKDCT-UHFFFAOYSA-N"	FALSE	FALSE	96	2	3
"23903-11-9"	"DTXSID70178609"	"1-Propanol, 3-((3,3-diphenylpropyl)methylamino)-, hydrochloride"	"EPA_DSSTox"	"CN(CCCO)CCC(C1C=CC=CC=1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C19H25NO/c1-20(14-8-16-21)15-13-19(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,19,21H,8,13-16H2,1H3"	"XDMUMVWBXZKTQI-UHFFFAOYSA-N"	FALSE	FALSE	1400	3	4
"2391-03-9"	"DTXSID6047818"	"Dexbrompheniramine maleate"	"EPA_DSSTox"	"CN(C)CCC(C1C=CC=CN=1)C1C=CC(Br)=CC=1"	"C(/C=C\C(=O)O)(=O)O"	"InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3"	"ZDIGNSYAACHWNL-UHFFFAOYSA-N"	FALSE	FALSE	191	2	3
"239110-15-7"	"DTXSID7034624"	"Fluopicolide"	"EPA_DSSTox"	"O=C(NCC1=NC=C(C=C1Cl)C(F)(F)F)C1C(Cl)=CC=CC=1Cl"	"?"	"InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)"	"GBOYJIHYACSLGN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"23915-26-6"	NA	NA	"Public_CrossChecked"	"OC1(C2C=CC=CC=2C2=NCCN12)C1=CC(Cl)=C(Cl)C=C1"	"?"	"InChI=1S/C16H12Cl2N2O/c17-13-6-5-10(9-14(13)18)16(21)12-4-2-1-3-11(12)15-19-7-8-20(15)16/h1-6,9,21H,7-8H2"	"HIXQQSRYYLKPER-UHFFFAOYSA-N"	FALSE	FALSE	353	2	4
"23915-73-3"	NA	NA	"Public_CrossChecked"	"CC1OC2C=CC=CC=2CC1N(C)C"	"?"	"InChI=1S/C12H17NO/c1-9-11(13(2)3)8-10-6-4-5-7-12(10)14-9/h4-7,9,11H,8H2,1-3H3"	"FDJAKSHVOONYHX-UHFFFAOYSA-N"	FALSE	FALSE	812	3	4
"23930-19-0"	"DTXSID9022576"	"Alphaxalone"	"EPA_DSSTox"	"CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC21C"	"?"	"InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3"	"DUHUCHOQIDJXAT-UHFFFAOYSA-N"	FALSE	FALSE	297	2	3
"23947-60-6"	"DTXSID6041927"	"Ethirimol"	"EPA_DSSTox"	"CC1N=C(NCC)N=C(O)C=1CCCC"	"?"	"InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)"	"BBXXLROWFHWFQY-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"2396-63-6"	"DTXSID2062373"	"1,6-Heptadiyne"	"EPA_DSSTox"	"C#CCCCC#C"	"?"	"InChI=1S/C7H8/c1-3-5-7-6-4-2/h1-2H,5-7H2"	"RSPZSDWVQWRAEF-UHFFFAOYSA-N"	FALSE	TRUE	2300	3	5
"23960-07-8"	NA	NA	"Public_CrossChecked"	"CC(=C)C(CC=C(C)C)COC(=O)C=C(C)C"	"?"	"InChI=1S/C15H24O2/c1-11(2)7-8-14(13(5)6)10-17-15(16)9-12(3)4/h7,9,14H,5,8,10H2,1-4,6H3"	"STLUIDJQVVNOAV-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2398-96-1"	"DTXSID3042477"	"Tolnaftate"	"EPA_DSSTox"	"CC1C=C(C=CC=1)N(C)C(=S)OC1=CC2C=CC=CC=2C=C1"	"?"	"InChI=1S/C19H17NOS/c1-14-6-5-9-17(12-14)20(2)19(22)21-18-11-10-15-7-3-4-8-16(15)13-18/h3-13H,1-2H3"	"FUSNMLFNXJSCDI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2399-85-1"	"DTXSID1062380"	"Glycine, N,N-bis(carboxymethyl)-, tripotassium salt"	"EPA_DSSTox"	"OC(=O)CN(CC(O)=O)CC(O)=O"	"[K+].[K+].[K+]"	"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"	FALSE	FALSE	1220	3	4
"23996-53-4"	"DTXSID50339610"	"3-(1H-Imidazol-1-yl)propanenitrile"	"EPA_DSSTox"	"N#CCCN1C=NC=C1"	"?"	"InChI=1S/C6H7N3/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1,4H2"	"XEQIISVRKIKCLQ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"24017-17-2"	NA	NA	"Public_CrossChecked"	"CCCOP(=S)(CC)SCN1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C14H18NO3PS2/c1-3-9-18-19(20,4-2)21-10-15-13(16)11-7-5-6-8-12(11)14(15)17/h5-8H,3-4,9-10H2,1-2H3"	"BUMOPTXDSVHHRB-UHFFFAOYSA-N"	TRUE	FALSE	20	1	2
"24017-18-3"	NA	NA	"Public_CrossChecked"	"CC(C)COP(C)(=S)SCN1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C14H18NO3PS2/c1-10(2)8-18-19(3,20)21-9-15-13(16)11-6-4-5-7-12(11)14(15)17/h4-7,10H,8-9H2,1-3H3"	"OGDPHEQKSQMITI-UHFFFAOYSA-N"	TRUE	FALSE	37	1	2
"24017-24-1"	NA	NA	"Public_CrossChecked"	"CCP(=S)(OCC)SCN1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C13H16NO3PS2/c1-3-17-18(19,4-2)20-9-14-12(15)10-7-5-6-8-11(10)13(14)16/h5-8H,3-4,9H2,1-2H3"	"MRNTWTRUPWODMD-UHFFFAOYSA-N"	TRUE	FALSE	14	1	2
"24017-47-8"	"DTXSID9037612"	"Triazophos"	"EPA_DSSTox"	"CCOP(=S)(OC1=NN(C=N1)C1C=CC=CC=1)OCC"	"?"	"InChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3"	"AMFGTOFWMRQMEM-UHFFFAOYSA-N"	FALSE	FALSE	57	2	3
"2402-58-6"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCC"	"?"	"InChI=1S/C28H52O4/c1-3-5-7-9-11-13-15-17-19-21-25-31-27(29)23-24-28(30)32-26-22-20-18-16-14-12-10-8-6-4-2/h23-24H,3-22,25-26H2,1-2H3"	"HEJZJSIRBLOWPD-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"24031-96-7"	"DTXSID00178778"	"1,4-Dithiepan-6-one, O-((methylamino)carbonyl)oxime"	"EPA_DSSTox"	"CNC(=O)ON=C1CSCCSC1"	"?"	"InChI=1S/C7H12N2O2S2/c1-8-7(10)11-9-6-4-12-2-3-13-5-6/h2-5H2,1H3,(H,8,10)"	"BAOASBHKXVPXGC-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"2404-05-9"	"DTXSID90178782"	"Phosphorothioic acid, O,O-diethyl S-methyl ester"	"EPA_DSSTox"	"CSP(=O)(OCC)OCC"	"?"	"InChI=1S/C5H13O3PS/c1-4-7-9(6,10-3)8-5-2/h4-5H2,1-3H3"	"GWEDODYYNURODY-UHFFFAOYSA-N"	TRUE	FALSE	47.1	1	2
"2404-78-6"	"DTXSID30178786"	"O,S,S-Triethyl phosphorodithioate"	"EPA_DSSTox"	"CCOP(=O)(SCC)SCC"	"?"	"InChI=1S/C6H15O2PS2/c1-4-8-9(7,10-5-2)11-6-3/h4-6H2,1-3H3"	"MKNAVGOWTFZJBQ-UHFFFAOYSA-N"	FALSE	FALSE	140	2	3
"240494-70-6"	"DTXSID4034738"	"Metofluthrin"	"EPA_DSSTox"	"COCC1=C(F)C(F)=C(COC(=O)C2C(C=CC)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"	"KVIZNNVXXNFLMU-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"24050-58-6"	NA	NA	"Public_CrossChecked"	"COC1C=C(C=C(OC)C=1OC)C(=O)OCCCNCCC(C1C=CC=CC=1)C1C=CC=CC=1"	"[Cl-]"	"InChI=1S/C28H33NO5/c1-31-25-19-23(20-26(32-2)27(25)33-3)28(30)34-18-10-16-29-17-15-24(21-11-6-4-7-12-21)22-13-8-5-9-14-22/h4-9,11-14,19-20,24,29H,10,15-18H2,1-3H3"	"IFYJCDHOWBSELI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"2407-68-3"	NA	NA	"Public_CrossChecked"	"CN(C)C=CC#N"	"?"	"InChI=1S/C5H8N2/c1-7(2)5-3-4-6/h3,5H,1-2H3"	"ZKKBIZXAEDFPNL-UHFFFAOYSA-N"	FALSE	FALSE	946	3	4
"24082-36-8"	"DTXSID20178811"	"Phosphinic amide, diphenyl-N-triphenylphosphoranylidene-"	"EPA_DSSTox"	"C1=CC=CC=C1P(=NP(C1C=CC=CC=1)C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C30H25NP2/c1-6-16-26(17-7-1)32(27-18-8-2-9-19-27)31-33(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30/h1-25H"	"WEYWXVVBIMUJMS-UHFFFAOYSA-N"	FALSE	TRUE	6480	4	5
"24089-00-7"	"DTXSID40865135"	"1-Octen-3-ol, 3-methyl-"	"EPA_DSSTox"	"CCCCCC(C)(O)C=C"	"?"	"InChI=1S/C9H18O/c1-4-6-7-8-9(3,10)5-2/h5,10H,2,4,6-8H2,1,3H3"	"DRKRLMZMGTWUSQ-UHFFFAOYSA-N"	FALSE	FALSE	1800	3	4
"2409-19-0"	"DTXSID60178815"	"Fluorene-9,9-(bis)propylamine"	"EPA_DSSTox"	"NCCCC1(CCCN)C2C=CC=CC=2C2C=CC=CC1=2"	"?"	"InChI=1S/C19H24N2/c20-13-5-11-19(12-6-14-21)17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10H,5-6,11-14,20-21H2"	"YREZIWUCYDRMPK-UHFFFAOYSA-N"	FALSE	FALSE	620	3	4
"24096-53-5"	"DTXSID70178821"	"N-(3,5-Dichlorophenyl)succinimide"	"EPA_DSSTox"	"O=C1CCC(=O)N1C1C=C(Cl)C=C(Cl)C=1"	"?"	"InChI=1S/C10H7Cl2NO2/c11-6-3-7(12)5-8(4-6)13-9(14)1-2-10(13)15/h3-5H,1-2H2"	"CFZLNRGUBAVQNO-UHFFFAOYSA-N"	FALSE	FALSE	890	3	4
"2413-38-9"	"DTXSID9058737"	"Flupentixol dihydrochloride"	"EPA_DSSTox"	"OCCN1CCN(CCC=C2C3C=CC=CC=3SC3C=CC(=CC=32)C(F)(F)F)CC1"	"Cl.Cl"	"InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2"	"NJMYODHXAKYRHW-UHFFFAOYSA-N"	FALSE	FALSE	791	3	4
"24140-98-5"	"DTXSID6042571"	"2-Chloro-11-(4-methylpiperazino)dibenz[b,f]oxepin maleate"	"EPA_DSSTox"	"CN1CCN(CC1)C1=CC2C=CC=CC=2OC2C=CC(Cl)=CC=21"	"C(/C=C\C(=O)O)(=O)O"	"InChI=1S/C19H19ClN2O/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,12-13H,8-11H2,1H3"	"OTKUTGIVEREJLL-UHFFFAOYSA-N"	FALSE	FALSE	231	2	3
"24141-01-3"	NA	NA	"Public_CrossChecked"	"CN1CCN(CC1)C1=CC2C=CC=CC=2OC2=CC=C(C=C12)OC"	"C(=C/C(=O)[O-])/C(=O)O"	"InChI=1S/C20H22N2O2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,13-14H,9-12H2,1-2H3"	"GXGQMMZHTFRNBT-UHFFFAOYSA-N"	FALSE	FALSE	822	3	4
"24143-17-7"	"DTXSID5023401"	"Oxazolam"	"EPA_DSSTox"	"CC1CN2CC(=O)NC3C=CC(Cl)=CC=3C2(O1)C1C=CC=CC=1"	"?"	"InChI=1S/C18H17ClN2O2/c1-12-10-21-11-17(22)20-16-8-7-14(19)9-15(16)18(21,23-12)13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,20,22)"	"VCCZBYPHZRWKFY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"24151-93-7"	"DTXSID8058031"	"Piperophos"	"EPA_DSSTox"	"CC1CCCCN1C(=O)CSP(=S)(OCCC)OCCC"	"?"	"InChI=1S/C14H28NO3PS2/c1-4-10-17-19(20,18-11-5-2)21-12-14(16)15-9-7-6-8-13(15)3/h13H,4-12H2,1-3H3"	"UNLYSVIDNRIVFJ-UHFFFAOYSA-N"	FALSE	FALSE	324	2	4
"24166-13-0"	"DTXSID0022854"	"Cloxazolam"	"EPA_DSSTox"	"O=C1CN2CCOC2(C2C=C(Cl)C=CC=2N1)C1C=CC=CC=1Cl"	"?"	"InChI=1S/C17H14Cl2N2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)"	"ZIXNZOBDFKSQTC-UHFFFAOYSA-N"	FALSE	FALSE	1780	3	4
"24168-96-5"	NA	NA	"Public_CrossChecked"	"ClC1C=CC=C(Cl)C=1COC(CN1C=NC=C1)C1C=CC(Cl)=CC=1Cl"	"[N+](=O)(O)[O-]"	"InChI=1S/C18H14Cl4N2O/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-8,11,18H,9-10H2"	"MPIPASJGOJYODL-UHFFFAOYSA-N"	FALSE	TRUE	5600	4	5
"24169-02-6"	"DTXSID6025226"	"Econazole nitrate"	"EPA_DSSTox"	"ClC1=CC(Cl)=C(C=C1)C(CN1C=NC=C1)OCC1C=CC(Cl)=CC=1"	"O[N+]([O-])=O"	"InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2"	"LEZWWPYKPKIXLL-UHFFFAOYSA-N"	FALSE	FALSE	668	3	4
"2418-14-6"	"DTXSID10859324"	"2,3-Dimercaptobutanedioic acid"	"EPA_DSSTox"	"OC(=O)C(S)C(S)C(O)=O"	"?"	"InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)"	"ACTRVOBWPAIOHC-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"24199-46-0"	"DTXSID4066967"	"5-Octen-2-one, 6-methyl-"	"EPA_DSSTox"	"CCC(C)=CCCC(C)=O"	"?"	"InChI=1S/C9H16O/c1-4-8(2)6-5-7-9(3)10/h6H,4-5,7H2,1-3H3"	"SAXWRVSDVXCTEL-UHFFFAOYSA-N"	FALSE	TRUE	3570	3	5
"2420-17-9"	NA	NA	"Public_CrossChecked"	"OC1C=CC(=CC=1)C1NC(=O)NC1=O"	"?"	"InChI=1S/C9H8N2O3/c12-6-3-1-5(2-4-6)7-8(13)11-9(14)10-7/h1-4,7,12H,(H2,10,11,13,14)"	"UMTNMIARZPDSDI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"24201-58-9"	"DTXSID4041369"	"2,4-Oxazolidinedione, 3-(3,4-dichlorophenyl)-5,5-dimethyl-"	"EPA_DSSTox"	"CC1(C)OC(=O)N(C2C=C(Cl)C=C(Cl)C=2)C1=O"	"?"	"InChI=1S/C11H9Cl2NO3/c1-11(2)9(15)14(10(16)17-11)8-4-6(12)3-7(13)5-8/h3-5H,1-2H3"	"JDZSMXLTQNHBRF-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"24207-38-3"	"DTXSID30178903"	"Salicylic acid ethanolamide"	"EPA_DSSTox"	"OC1C=CC=CC=1C(=O)NCCO"	"?"	"InChI=1S/C9H11NO3/c11-6-5-10-9(13)7-3-1-2-4-8(7)12/h1-4,11-12H,5-6H2,(H,10,13)"	"NCPLWPQEVIBZKJ-UHFFFAOYSA-N"	FALSE	TRUE	4300	3	5
"24219-97-4"	"DTXSID6023317"	"Mianserin"	"EPA_DSSTox"	"CN1CCN2C(C1)C1=CC=CC=C1CC1C=CC=CC2=1"	"?"	"InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3"	"UEQUQVLFIPOEMF-UHFFFAOYSA-N"	FALSE	FALSE	925	3	4
"2422-90-4"	"DTXSID80178918"	"Urea, 1-dodecyl-2-thio-"	"EPA_DSSTox"	"CCCCCCCCCCCCNC(N)=S"	"?"	"InChI=1S/C13H28N2S/c1-2-3-4-5-6-7-8-9-10-11-12-15-13(14)16/h2-12H2,1H3,(H3,14,15,16)"	"PSYDSRLQABJJAD-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"2423-66-7"	"DTXSID8046165"	"Quindoxin"	"EPA_DSSTox"	"[O-][N+]1=CC=[N+]([O-])C2C=CC=CC1=2"	"?"	"InChI=1S/C8H6N2O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H"	"CKIHZSGJPSDCNC-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"24237-54-5"	"DTXSID9023677"	"Tinoridine"	"EPA_DSSTox"	"CCOC(=O)C1=C(N)SC2CN(CC3C=CC=CC=3)CCC=21"	"?"	"InChI=1S/C17H20N2O2S/c1-2-21-17(20)15-13-8-9-19(11-14(13)22-16(15)18)10-12-6-4-3-5-7-12/h3-7H,2,8-11,18H2,1H3"	"PFENFDGYVLAFBR-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2425-06-1"	"DTXSID4020242"	"Captafol"	"EPA_DSSTox"	"O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)C(Cl)Cl"	"?"	"InChI=1S/C10H9Cl4NO2S/c11-9(12)10(13,14)18-15-7(16)5-3-1-2-4-6(5)8(15)17/h1-2,5-6,9H,3-4H2"	"JHRWWRDRBPCWTF-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"2425-10-7"	"DTXSID3058032"	"Xylylcarb"	"EPA_DSSTox"	"CC1=CC(=CC=C1C)OC(=O)NC"	"?"	"InChI=1S/C10H13NO2/c1-7-4-5-9(6-8(7)2)13-10(12)11-3/h4-6H,1-3H3,(H,11,12)"	"WCJYTPVNMWIZCG-UHFFFAOYSA-N"	FALSE	FALSE	290	2	3
"2425-15-2"	"DTXSID50178945"	"Fenitrothion ethyl"	"EPA_DSSTox"	"CC1C=C(C=CC=1[N+]([O-])=O)OP(=S)(OCC)OCC"	"?"	"InChI=1S/C11H16NO5PS/c1-4-15-18(19,16-5-2)17-10-6-7-11(12(13)14)9(3)8-10/h6-8H,4-5H2,1-3H3"	"QFGYPXDTZBTYRJ-UHFFFAOYSA-N"	TRUE	FALSE	10	1	2
"2425-19-6"	NA	NA	"Public_CrossChecked"	"CCOP(=S)(CCl)OC1C=CC(=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C9H11ClNO4PS/c1-2-14-16(17,7-10)15-9-5-3-8(4-6-9)11(12)13/h3-6H,2,7H2,1H3"	"IDSATHNHWPBOFA-UHFFFAOYSA-N"	FALSE	FALSE	127	2	3
"2425-25-4"	"DTXSID8041581"	"Acetoxon"	"EPA_DSSTox"	"CCOC(=O)CSP(=O)(OCC)OCC"	"?"	"InChI=1S/C8H17O5PS/c1-4-11-8(9)7-15-14(10,12-5-2)13-6-3/h4-7H2,1-3H3"	"ZRCQYAQOWIQUBA-UHFFFAOYSA-N"	TRUE	FALSE	45	1	2
"2425-66-3"	"DTXSID6041264"	"1-Chloro-2-nitropropane"	"EPA_DSSTox"	"CC(CCl)[N+]([O-])=O"	"?"	"InChI=1S/C3H6ClNO2/c1-3(2-4)5(6)7/h3H,2H2,1H3"	"FPJNQQRSBJPGHM-UHFFFAOYSA-N"	FALSE	FALSE	197	2	3
"2425-79-8"	"DTXSID7024667"	"1,4-Butanediol diglycidyl ether"	"EPA_DSSTox"	"C(OCCCCOCC1CO1)C1CO1"	"?"	"InChI=1S/C10H18O4/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h9-10H,1-8H2"	"SHKUUQIDMUMQQK-UHFFFAOYSA-N"	FALSE	FALSE	1134	3	4
"2426-08-6"	"DTXSID9024691"	"Butyl glycidyl ether"	"EPA_DSSTox"	"CCCCOCC1CO1"	"?"	"InChI=1S/C7H14O2/c1-2-3-4-8-5-7-6-9-7/h7H,2-6H2,1H3"	"YSUQLAYJZDEMOT-UHFFFAOYSA-N"	FALSE	FALSE	1660	3	4
"2426-54-2"	"DTXSID4051900"	"2-(Diethylamino)ethyl acrylate"	"EPA_DSSTox"	"CCN(CCOC(=O)C=C)CC"	"?"	"InChI=1S/C9H17NO2/c1-4-9(11)12-8-7-10(5-2)6-3/h4H,1,5-8H2,2-3H3"	"QHVBLSNVXDSMEB-UHFFFAOYSA-N"	FALSE	FALSE	770	3	4
"24268-89-1"	NA	NA	"Public_CrossChecked"	"CN(C)CCC[n]1c2cccc(c2c(=O)c2ccccc12)[N+]([O-])=O"	"?"	"InChI=1S/C18H19N3O3/c1-19(2)11-6-12-20-14-8-4-3-7-13(14)18(22)17-15(20)9-5-10-16(17)21(23)24/h3-5,7-10H,6,11-12H2,1-2H3"	"YQXLLRDBDNSHGZ-UHFFFAOYSA-N"	FALSE	FALSE	53.3	2	3
"2428-04-8"	"DTXSID6062410"	"1,3,5-Triazine-2,4,6-triamine, N,N,N',N',N'',N''-hexachloro-"	"EPA_DSSTox"	"ClN(Cl)C1N=C(N=C(N=1)N(Cl)Cl)N(Cl)Cl"	"?"	"InChI=1S/C3Cl6N6/c4-13(5)1-10-2(14(6)7)12-3(11-1)15(8)9"	"VCBRTBDPBXCBOR-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"24280-93-1"	"DTXSID4041070"	"Mycophenolic acid"	"EPA_DSSTox"	"COC1=C(CC=C(C)CCC(O)=O)C(O)=C2C(COC2=O)=C1C"	"?"	"InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)"	"HPNSFSBZBAHARI-UHFFFAOYSA-N"	FALSE	FALSE	352	2	4
"24283-57-6"	"DTXSID30179016"	"3-Biphenylcarboxy-o-toluidide, 4',5-dichloro-4''-fluoro-2-hydroxy-"	"EPA_DSSTox"	"CC1C=C(F)C=CC=1NC(=O)C1=CC(Cl)=CC(=C1O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C20H14Cl2FNO2/c1-11-8-15(23)6-7-18(11)24-20(26)17-10-14(22)9-16(19(17)25)12-2-4-13(21)5-3-12/h2-10,25H,1H3,(H,24,26)"	"VNFHIWMRMGFNHS-UHFFFAOYSA-N"	FALSE	TRUE	2510	3	5
"2429-73-4"	"DTXSID6025191"	"C.I. Direct Blue 2"	"EPA_DSSTox"	"NC1=CC(=CC2C=C(C(N=NC3C=CC(=CC=3)C3C=CC(=CC=3)N=NC3C(=CC4=CC=C(N)C=C4C=3O)S(O)(=O)=O)=C(O)C1=2)S(O)(=O)=O)S(O)(=O)=O"	"[Na+].[Na+].[Na+]"	"InChI=1S/C32H24N6O11S3/c33-20-6-1-18-12-26(51(44,45)46)29(31(39)24(18)14-20)37-35-21-7-2-16(3-8-21)17-4-9-22(10-5-17)36-38-30-27(52(47,48)49)13-19-11-23(50(41,42)43)15-25(34)28(19)32(30)40/h1-15,39-40H,33-34H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)"	"JDKKCKKFTIMFFD-UHFFFAOYSA-N"	FALSE	TRUE	6450	4	5
"2429-82-5"	"DTXSID6025199"	"C.I. Direct brown 2"	"EPA_DSSTox"	"NC1=CC2C(=CC(=C(N=NC3C=CC(=CC=3)C3C=CC(=CC=3)N=NC3=CC(=C(O)C=C3)C(O)=O)C=2O)S(O)(=O)=O)C=C1"	"[Na+].[Na+]"	"InChI=1S/C29H21N5O7S/c30-19-6-1-18-13-26(42(39,40)41)27(28(36)23(18)14-19)34-32-21-9-4-17(5-10-21)16-2-7-20(8-3-16)31-33-22-11-12-25(35)24(15-22)29(37)38/h1-15,35-36H,30H2,(H,37,38)(H,39,40,41)"	"IRGWFPQSVKCDEC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2429-84-7"	"DTXSID6062414"	"C.I. Direct Red 1, disodium salt"	"EPA_DSSTox"	"NC1C=CC2C=C(C=C(O)C=2C=1N=NC1C=CC(=CC=1)C1C=CC(=CC=1)N=NC1=CC(=C(O)C=C1)C(O)=O)S(O)(=O)=O"	"[Na+].[Na+]"	"InChI=1S/C29H21N5O7S/c30-24-11-5-18-13-22(42(39,40)41)15-26(36)27(18)28(24)34-32-20-8-3-17(4-9-20)16-1-6-19(7-2-16)31-33-21-10-12-25(35)23(14-21)29(37)38/h1-15,35-36H,30H2,(H,37,38)(H,39,40,41)"	"OKRYVJRSHSURIS-UHFFFAOYSA-N"	FALSE	TRUE	22400	4	5
"2430-22-0"	"DTXSID2058675"	"7-Methyl-1-octanol"	"EPA_DSSTox"	"CC(C)CCCCCCO"	"?"	"InChI=1S/C9H20O/c1-9(2)7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3"	"QDTDKYHPHANITQ-UHFFFAOYSA-N"	FALSE	TRUE	2980	3	5
"2430-27-5"	"DTXSID1023734"	"Valpromide"	"EPA_DSSTox"	"CCCC(CCC)C(N)=O"	"?"	"InChI=1S/C8H17NO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)"	"OMOMUFTZPTXCHP-UHFFFAOYSA-N"	FALSE	FALSE	890	3	4
"24303-87-5"	"DTXSID30179036"	"Phosphorothioic acid, O,O'-(thiobis(2-methyl-p-phenylene)) O,O,O',O'-tetramethyl ester"	"EPA_DSSTox"	"CC1C=C(C=CC=1OP(=S)(OC)OC)SC1=CC(C)=C(C=C1)OP(=S)(OC)OC"	"?"	"InChI=1S/C18H24O6P2S3/c1-13-11-15(7-9-17(13)23-25(27,19-3)20-4)29-16-8-10-18(14(2)12-16)24-26(28,21-5)22-6/h7-12H,1-6H3"	"HYBSJHXLNIXJPO-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"24304-50-5"	"DTXSID90179037"	"N,N'-(2,5-Dimethyl-1,4-phenylene)bis(3-oxobutyramide)"	"EPA_DSSTox"	"CC1C=C(NC(=O)CC(C)=O)C(C)=CC=1NC(=O)CC(C)=O"	"?"	"InChI=1S/C16H20N2O4/c1-9-5-14(18-16(22)8-12(4)20)10(2)6-13(9)17-15(21)7-11(3)19/h5-6H,7-8H2,1-4H3,(H,17,21)(H,18,22)"	"NPISXGVUUHHCHZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2431-96-1"	"DTXSID00179048"	"N,N-Diethylphenylacetamide"	"EPA_DSSTox"	"CCN(CC)C(=O)CC1C=CC=CC=1"	"?"	"InChI=1S/C12H17NO/c1-3-13(4-2)12(14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3"	"UXDAWVUDZLBBAM-UHFFFAOYSA-N"	FALSE	FALSE	825	3	4
"24312-44-5"	"DTXSID30179056"	"Acetamide, N-(p-bromobenzyl)-2-fluoro-"	"EPA_DSSTox"	"O=C(CF)NCC1=CC=C(Br)C=C1"	"?"	"InChI=1S/C9H9BrFNO/c10-8-3-1-7(2-4-8)6-12-9(13)5-11/h1-4H,5-6H2,(H,12,13)"	"ZRGCGXABDWGNHA-UHFFFAOYSA-N"	FALSE	FALSE	410	2	4
"2432-74-8"	"DTXSID6062416"	"Hexanenitrile, 6-amino-"	"EPA_DSSTox"	"NCCCCCC#N"	"?"	"InChI=1S/C6H12N2/c7-5-3-1-2-4-6-8/h1-5,7H2"	"KBMSFJFLSXLIDJ-UHFFFAOYSA-N"	FALSE	FALSE	820	3	4
"2435-16-7"	"DTXSID9051901"	"2-Heptyltetrahydrofuran"	"EPA_DSSTox"	"CCCCCCCC1CCCO1"	"?"	"InChI=1S/C11H22O/c1-2-3-4-5-6-8-11-9-7-10-12-11/h11H,2-10H2,1H3"	"VBQKNJGYWOBPMY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"24353-58-0"	"DTXSID2041836"	"Delachlor"	"EPA_DSSTox"	"CC1C=CC=C(C)C=1N(COCC(C)C)C(=O)CCl"	"?"	"InChI=1S/C15H22ClNO2/c1-11(2)9-19-10-17(14(18)8-16)15-12(3)6-5-7-13(15)4/h5-7,11H,8-10H2,1-4H3"	"BIQOEDQVNIYWPQ-UHFFFAOYSA-N"	FALSE	FALSE	1775	3	4
"24353-61-5"	"DTXSID7042063"	"Isocarbophos"	"EPA_DSSTox"	"COP(N)(=S)OC1C=CC=CC=1C(=O)OC(C)C"	"?"	"InChI=1S/C11H16NO4PS/c1-8(2)15-11(13)9-6-4-5-7-10(9)16-17(12,18)14-3/h4-8H,1-3H3,(H2,12,18)"	"YFVOXLJXJBQDEF-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"24356-60-3"	"DTXSID7045574"	"Cephapirin sodium"	"EPA_DSSTox"	"CC(=O)OCC1CSC2C(NC(=O)CSC3C=CN=CC=3)C(=O)N2C=1C(O)=O"	"[Na+]"	"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"	FALSE	TRUE	16356	4	5
"2436-90-0"	"DTXSID8029234"	"3,7-Dimethylocta-1,6-diene"	"EPA_DSSTox"	"CC(CCC=C(C)C)C=C"	"?"	"InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7,10H,1,6,8H2,2-4H3"	"FUDNBFMOXDUIIE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"24365-47-7"	"DTXSID1020776"	"Leupeptin"	"EPA_DSSTox"	"[H]/N=C(\N)/NCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(C)=O"	"?"	"InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)"	"GDBQQVLCIARPGH-UHFFFAOYSA-N"	FALSE	FALSE	720	3	4
"2438-38-2"	"DTXSID80179127"	"Cyclohexanesulfonamide"	"EPA_DSSTox"	"NS(=O)(=O)C1CCCCC1"	"?"	"InChI=1S/C6H13NO2S/c7-10(8,9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,7,8,9)"	"AAYHAFZXFMIUSN-UHFFFAOYSA-N"	FALSE	FALSE	80	2	3
"2438-72-4"	"DTXSID7045368"	"Bufexamac"	"EPA_DSSTox"	"CCCCOC1C=CC(CC(=O)NO)=CC=1"	"?"	"InChI=1S/C12H17NO3/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14)"	"MXJWRABVEGLYDG-UHFFFAOYSA-N"	FALSE	TRUE	3370	3	5
"2438-88-2"	"DTXSID2021313"	"2,3,5,6-Tetrachloro-4-nitroanisole"	"EPA_DSSTox"	"COC1=C(Cl)C(Cl)=C(C(Cl)=C1Cl)[N+]([O-])=O"	"?"	"InChI=1S/C7H3Cl4NO3/c1-15-7-4(10)2(8)6(12(13)14)3(9)5(7)11/h1H3"	"BGPPUXMKKQMWLV-UHFFFAOYSA-N"	FALSE	FALSE	260	2	3
"24380-85-6"	NA	NA	"Public_CrossChecked"	"CNC(=O)OC1C=CC=CC=1C1OC(C)C(C)O1"	"?"	"InChI=1S/C13H17NO4/c1-8-9(2)17-12(16-8)10-6-4-5-7-11(10)18-13(15)14-3/h4-9,12H,1-3H3,(H,14,15)"	"KHOCVCJZJLCLGP-UHFFFAOYSA-N"	FALSE	FALSE	60	2	3
"24380-86-7"	NA	NA	"Public_CrossChecked"	"CNC(=O)OC1C=CC=CC=1C1OC(C)C(C)O1"	"?"	"InChI=1S/C13H17NO4/c1-8-9(2)17-12(16-8)10-6-4-5-7-11(10)18-13(15)14-3/h4-9,12H,1-3H3,(H,14,15)"	"KHOCVCJZJLCLGP-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"24381-37-1"	"DTXSID70179131"	"Benzo(c)phenanthridine, 4b,5,6,10b,11,12-hexahydro-5-methyl-, trans-"	"EPA_DSSTox"	"CN1CC2C=CC=CC=2C2CCC3C=CC=CC=3C12"	"?"	"InChI=1S/C18H19N/c1-19-12-14-7-3-4-8-15(14)17-11-10-13-6-2-5-9-16(13)18(17)19/h2-9,17-18H,10-12H2,1H3"	"RKUPAUHKGCQAHB-UHFFFAOYSA-N"	FALSE	FALSE	1005	3	4
"24382-04-5"	"DTXSID4020793"	"Malonaldehyde, sodium salt"	"EPA_DSSTox"	"OC=CC=O"	"[Na+]"	"InChI=1S/C3H4O2/c4-2-1-3-5/h1-4H"	"GMSHJLUJOABYOM-UHFFFAOYSA-N"	FALSE	FALSE	824	3	4
"2439-10-3"	"DTXSID3020548"	"Dodine"	"EPA_DSSTox"	"[H]/N=C(\N)/NCCCCCCCCCCCC"	"CC(=O)O"	"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"	FALSE	FALSE	566	3	4
"2439-35-2"	"DTXSID5025100"	"2-(Dimethylamino)ethyl acrylate"	"EPA_DSSTox"	"CN(C)CCOC(=O)C=C"	"?"	"InChI=1S/C7H13NO2/c1-4-7(9)10-6-5-8(2)3/h4H,1,5-6H2,2-3H3"	"DPBJAVGHACCNRL-UHFFFAOYSA-N"	FALSE	FALSE	455	2	4
"2439-99-8"	"DTXSID2044557"	"Glyphosine"	"EPA_DSSTox"	"OC(=O)CN(CP(O)(O)=O)CP(O)(O)=O"	"?"	"InChI=1S/C4H11NO8P2/c6-4(7)1-5(2-14(8,9)10)3-15(11,12)13/h1-3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)"	"OXHDYFKENBXUEM-UHFFFAOYSA-N"	FALSE	TRUE	3925	3	5
"243973-20-8"	"DTXSID8034823"	"Pinoxaden"	"EPA_DSSTox"	"CC1C=C(CC)C(=C(CC)C=1)C1C(=O)N2CCOCCN2C=1OC(=O)C(C)(C)C"	"?"	"InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3"	"MGOHCFMYLBAPRN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2441-41-0"	"DTXSID40179163"	"N-Palmitoylglycine"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCC(=O)NCC(O)=O"	"?"	"InChI=1S/C18H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22/h2-16H2,1H3,(H,19,20)(H,21,22)"	"KVTFEOAKFFQCCX-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"2442-10-6"	"DTXSID9051903"	"Oct-1-en-3-yl acetate"	"EPA_DSSTox"	"CCCCCC(C=C)OC(C)=O"	"?"	"InChI=1S/C10H18O2/c1-4-6-7-8-10(5-2)12-9(3)11/h5,10H,2,4,6-8H2,1,3H3"	"DOJDQRFOTHOBEK-UHFFFAOYSA-N"	FALSE	FALSE	850	3	4
"2444-90-8"	"DTXSID0027480"	"Phenol, 4,4'-(1-methylethylidene)bis-, disodium salt"	"EPA_DSSTox"	"CC(C)(C1C=CC(O)=CC=1)C1C=CC(O)=CC=1"	"[Na+].[Na+]"	"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"	FALSE	FALSE	1000	3	4
"24441-47-2"	NA	NA	"Public_CrossChecked"	"CC1C=CC(=CC=1)SP(=S)(CCl)OCC"	"?"	"InChI=1S/C10H14ClOPS2/c1-3-12-13(14,8-11)15-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3"	"KSILONBFKOHCMN-UHFFFAOYSA-N"	FALSE	FALSE	336	2	4
"24441-57-4"	NA	NA	"Public_CrossChecked"	"CC(C)OP(=S)(CCl)SC1C=CC(Br)=CC=1"	"?"	"InChI=1S/C10H13BrClOPS2/c1-8(2)13-14(15,7-12)16-10-5-3-9(11)4-6-10/h3-6,8H,7H2,1-2H3"	"CGTRGCRJUUAHGF-UHFFFAOYSA-N"	TRUE	FALSE	23	1	2
"2445-76-3"	"DTXSID5047582"	"Hexyl propanoate"	"EPA_DSSTox"	"CCCCCCOC(=O)CC"	"?"	"InChI=1S/C9H18O2/c1-3-5-6-7-8-11-9(10)4-2/h3-8H2,1-2H3"	"GOKKOFHHJFGZHW-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2445-83-2"	"DTXSID0062424"	"2H-1-Benzopyran-2-one, 7-methyl-"	"EPA_DSSTox"	"CC1C=C2OC(=O)C=CC2=CC=1"	"?"	"InChI=1S/C10H8O2/c1-7-2-3-8-4-5-10(11)12-9(8)6-7/h2-6H,1H3"	"DLHXRDUXNVEIEY-UHFFFAOYSA-N"	FALSE	TRUE	3800	3	5
"24458-48-8"	"DTXSID6066993"	"N-(2-Methyl-2-nitropropyl)-4-nitrosoaniline"	"EPA_DSSTox"	"CC(C)(CNC1C=CC(=CC=1)N=O)[N+]([O-])=O"	"?"	"InChI=1S/C10H13N3O3/c1-10(2,13(15)16)7-11-8-3-5-9(12-14)6-4-8/h3-6,11H,7H2,1-2H3"	"HGAHFVOTRBLLFI-UHFFFAOYSA-N"	FALSE	TRUE	2730	3	5
"24468-13-1"	"DTXSID2027832"	"Carbonochloridic acid, 2-ethylhexyl ester"	"EPA_DSSTox"	"CCCCC(COC(=O)Cl)CC"	"?"	"InChI=1S/C9H17ClO2/c1-3-5-6-8(4-2)7-12-9(10)11/h8H,3-7H2,1-2H3"	"RTGLJCSUKOLTEM-UHFFFAOYSA-N"	FALSE	TRUE	5420	4	5
"2447-54-3"	"DTXSID0045204"	"Sanguinarine"	"EPA_DSSTox"	"C[N+]1=CC2C3OCOC=3C=CC=2C2C=CC3C=C4OCOC4=CC=3C1=2"	"?"	"InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1"	"INVGWHRKADIJHF-UHFFFAOYSA-N"	FALSE	FALSE	1660	3	4
"24473-06-1"	"DTXSID4051906"	"1-(4-Chlorophenoxy)-3,3-dimethylbutan-2-one"	"EPA_DSSTox"	"CC(C)(C)C(=O)COC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C12H15ClO2/c1-12(2,3)11(14)8-15-10-6-4-9(13)5-7-10/h4-7H,8H2,1-3H3"	"WISVKXCNQOLCJL-UHFFFAOYSA-N"	FALSE	TRUE	4650	3	5
"244761-29-3"	NA	NA	"Public_CrossChecked"	"O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2"	"[Li+]"	"InChI=1S/C4BO8/c6-1-2(7)11-5(10-1)12-3(8)4(9)13-5/q-1"	"IKHPCVLSMLIHHR-UHFFFAOYSA-N"	FALSE	FALSE	175	2	3
"2448-68-2"	"DTXSID6046505"	"Pipamperone dihydrochloride"	"EPA_DSSTox"	"NC(=O)C1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)N1CCCCC1"	"Cl.Cl"	"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"	FALSE	FALSE	1120	3	4
"2449-49-2"	NA	NA	"Public_CrossChecked"	"CC(C1C=CC=CC=1)N(C)C"	"?"	"InChI=1S/C10H15N/c1-9(11(2)3)10-7-5-4-6-8-10/h4-9H,1-3H3"	"BVURNMLGDQYNAF-UHFFFAOYSA-N"	FALSE	FALSE	420	2	4
"2451-62-9"	"DTXSID4026262"	"Triglycidyl isocyanurate"	"EPA_DSSTox"	"O=C1N(CC2CO2)C(=O)N(CC2CO2)C(=O)N1CC1CO1"	"?"	"InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2"	"OUPZKGBUJRBPGC-UHFFFAOYSA-N"	FALSE	FALSE	221.5	2	3
"2451-86-7"	"DTXSID10873949"	"Propane-1,3-diyl dibenzoate"	"EPA_DSSTox"	"O=C(OCCCOC(=O)C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C17H16O4/c18-16(14-8-3-1-4-9-14)20-12-7-13-21-17(19)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2"	"SSEOOCRUUJYCKA-UHFFFAOYSA-N"	FALSE	TRUE	24000	4	5
"2452-94-0"	"DTXSID30179273"	"Benzenamine, N-((diethoxymethylsilyl)methyl)-"	"EPA_DSSTox"	"CCOC(OCC)[SiH2]CNC1C=CC=CC=1"	"?"	"InChI=1S/C12H21NO2Si/c1-3-14-12(15-4-2)16-10-13-11-8-6-5-7-9-11/h5-9,12-13H,3-4,10,16H2,1-2H3"	"WJHZFMFUYKIGTI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"24526-64-5"	"DTXSID0023377"	"Nomifensine"	"EPA_DSSTox"	"CN1CC2=C(N)C=CC=C2C(C1)C1C=CC=CC=1"	"?"	"InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3"	"XXPANQJNYNUNES-UHFFFAOYSA-N"	FALSE	FALSE	267	2	3
"24536-75-2"	NA	NA	"Public_CrossChecked"	"CCOC(=O)CN1CCN(CC1)C(=O)C=CC1=CC(OC)=C(OC)C(=C1)OC"	"C(=C/C(=O)O)\C(=O)O"	"InChI=1S/C20H28N2O6/c1-5-28-19(24)14-21-8-10-22(11-9-21)18(23)7-6-15-12-16(25-2)20(27-4)17(13-15)26-3/h6-7,12-13H,5,8-11,14H2,1-4H3"	"XDUOTWNXVDBCDY-UHFFFAOYSA-N"	FALSE	TRUE	4190	3	5
"24565-13-7"	"DTXSID0067000"	"C.I. Fluorescent Brightener 208"	"EPA_DSSTox"	"CCNC1=NC(NC2C=C(C(C=CC3C=CC(=CC=3S(O)(=O)=O)NC3=NC(NC4C=CC=CC=4)=NC(NCC)=N3)=CC=2)S(O)(=O)=O)=NC(NC2C=CC=CC=2)=N1"	"[Na+].[Na+]"	"InChI=1S/C36H36N12O6S2/c1-3-37-31-43-33(39-25-11-7-5-8-12-25)47-35(45-31)41-27-19-17-23(29(21-27)55(49,50)51)15-16-24-18-20-28(22-30(24)56(52,53)54)42-36-46-32(38-4-2)44-34(48-36)40-26-13-9-6-10-14-26/h5-22H,3-4H2,1-2H3,(H,49,50,51)(H,52,53,54)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48)"	"HCPYVPARJNWQLE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"24598-73-0"	"DTXSID0067004"	"4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, monopotassium salt"	"EPA_DSSTox"	"OC1N=C(C=C(O)N=1)C(O)=O"	"[K+]"	"InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)"	"PXQPEWDEAKTCGB-UHFFFAOYSA-N"	FALSE	TRUE	10900	4	5
"24600-36-0"	"DTXSID6048759"	"Fominoben hydrochloride"	"EPA_DSSTox"	"CN(CC1C(Cl)=CC=CC=1NC(=O)C1C=CC=CC=1)CC(=O)N1CCOCC1"	"Cl"	"InChI=1S/C21H24ClN3O3/c1-24(15-20(26)25-10-12-28-13-11-25)14-17-18(22)8-5-9-19(17)23-21(27)16-6-3-2-4-7-16/h2-9H,10-15H2,1H3,(H,23,27)"	"KSNNEUZOAFRTDS-UHFFFAOYSA-N"	FALSE	TRUE	4200	3	5
"2461-15-6"	"DTXSID6025301"	"2-Ethylhexyl glycidyl ether"	"EPA_DSSTox"	"CCC(COCC1CO1)CCCC"	"?"	"InChI=1S/C11H22O2/c1-3-5-6-10(4-2)7-12-8-11-9-13-11/h10-11H,3-9H2,1-2H3"	"BBBUAWSVILPJLL-UHFFFAOYSA-N"	FALSE	TRUE	7800	4	5
"2463-53-8"	"DTXSID3047219"	"2-Nonenal"	"EPA_DSSTox"	"CCCCCCC=CC=O"	"?"	"InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3"	"BSAIUMLZVGUGKX-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"24632-48-2"	"DTXSID00179381"	"Nifurpipone dihydrochloride"	"EPA_DSSTox"	"CN1CCN(CC(=O)NN=CC2=CC=C(O2)[N+]([O-])=O)CC1"	"Cl.Cl"	"InChI=1S/C12H17N5O4/c1-15-4-6-16(7-5-15)9-11(18)14-13-8-10-2-3-12(21-10)17(19)20/h2-3,8H,4-7,9H2,1H3,(H,14,18)"	"FHHFNHFFCVLLHX-UHFFFAOYSA-N"	FALSE	FALSE	960	3	4
"2464-37-1"	"DTXSID2034251"	"Chlorflurecol"	"EPA_DSSTox"	"OC(=O)C1(O)C2C=C(Cl)C=CC=2C2C=CC=CC1=2"	"?"	"InChI=1S/C14H9ClO3/c15-8-5-6-10-9-3-1-2-4-11(9)14(18,13(16)17)12(10)7-8/h1-7,18H,(H,16,17)"	"SVOAUHHKPGKPQK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"24645-14-5"	NA	NA	"Public_CrossChecked"	"CC(O)(CC(O)=O)C1=CC(Cl)=C(C=C1)C1CCCCC1"	"?"	"InChI=1S/C16H21ClO3/c1-16(20,10-15(18)19)12-7-8-13(14(17)9-12)11-5-3-2-4-6-11/h7-9,11,20H,2-6,10H2,1H3,(H,18,19)"	"AINTUTMSFVISLY-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"24676-80-0"	NA	NA	"Public_CrossChecked"	"OCC(C(=O)OC1CC2NC(C1)C1OC12)C1C=CC=CC=1"	"Cl"	"InChI=1S/C16H19NO4/c18-8-11(9-4-2-1-3-5-9)16(19)20-10-6-12-14-15(21-14)13(7-10)17-12/h1-5,10-15,17-18H,6-8H2"	"MOYZEMOPQDTDHA-UHFFFAOYSA-N"	FALSE	TRUE	3020	3	5
"24689-89-2"	"DTXSID4051908"	"1-Chloroethane-1,2-diyl bis(thiocyanate)"	"EPA_DSSTox"	"N#CSCC(Cl)SC#N"	"?"	"InChI=1S/C4H3ClN2S2/c5-4(9-3-7)1-8-2-6/h4H,1H2"	"SJCSGFWXVSRSQA-UHFFFAOYSA-N"	FALSE	FALSE	98	2	3
"24691-76-7"	"DTXSID50179432"	"Pyracarbolid [ISO]"	"EPA_DSSTox"	"CC1OCCCC=1C(=O)NC1C=CC=CC=1"	"?"	"InChI=1S/C13H15NO2/c1-10-12(8-5-9-16-10)13(15)14-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,14,15)"	"YPCALTGLHFLNGA-UHFFFAOYSA-N"	FALSE	TRUE	15000	4	5
"24691-80-3"	"DTXSID8058035"	"Fenfuram"	"EPA_DSSTox"	"CC1OC=CC=1C(=O)NC1C=CC=CC=1"	"?"	"InChI=1S/C12H11NO2/c1-9-11(7-8-15-9)12(14)13-10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14)"	"JFSPBVWPKOEZCB-UHFFFAOYSA-N"	FALSE	TRUE	12900	4	5
"2470-73-7"	NA	NA	"Public_CrossChecked"	"CC(CN1CCN(CCOCCO)CC1)CN1C2=CC=CC=C2SC2C=CC=CC1=2"	"?"	"InChI=1S/C24H33N3O2S/c1-20(18-26-12-10-25(11-13-26)14-16-29-17-15-28)19-27-21-6-2-4-8-23(21)30-24-9-5-3-7-22(24)27/h2-9,20,28H,10-19H2,1H3"	"MSYUMPGNGDNTIQ-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"24729-96-2"	"DTXSID1048677"	"Clindamycin phosphate"	"EPA_DSSTox"	"CC(Cl)C(NC(=O)C1CC(CCC)CN1C)C1OC(SC)C(OP(O)(O)=O)C(O)C1O"	"?"	"InChI=1S/C18H34ClN2O8PS/c1-5-6-10-7-11(21(3)8-10)17(24)20-12(9(2)19)15-13(22)14(23)16(18(28-15)31-4)29-30(25,26)27/h9-16,18,22-23H,5-8H2,1-4H3,(H,20,24)(H2,25,26,27)"	"UFUVLHLTWXBHGZ-UHFFFAOYSA-N"	FALSE	FALSE	1832	3	4
"24730-10-7"	"DTXSID20872322"	"Dihydroergocristine mesylate"	"EPA_DSSTox"	"CN1CC(CC2C1CC1=CNC3C=CC=C2C1=3)C(=O)NC1(OC2(O)C3CCCN3C(=O)C(CC3C=CC=CC=3)N2C1=O)C(C)C"	"S(C)(=O)(=O)O"	"InChI=1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)"	"DEQITUUQPICUMR-UHFFFAOYSA-N"	FALSE	TRUE	2643	3	5
"24733-81-1"	"DTXSID60179463"	"Acetamide, N-(3-nitro-4-(2-pyridinylmethyl)phenyl)-"	"EPA_DSSTox"	"CC(=O)NC1=CC(=C(CC2C=CC=CN=2)C=C1)[N+]([O-])=O"	"?"	"InChI=1S/C14H13N3O3/c1-10(18)16-13-6-5-11(14(9-13)17(19)20)8-12-4-2-3-7-15-12/h2-7,9H,8H2,1H3,(H,16,18)"	"QBDFSBNQTOLVBZ-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"24748-23-0"	"DTXSID3051913"	"3,6,9-Triethyl-3,6,9-trimethyl-1,2,4,5,7,8-hexoxonane"	"EPA_DSSTox"	"CC1(CC)OOC(C)(CC)OOC(C)(CC)OO1"	"?"	"InChI=1S/C12H24O6/c1-7-10(4)13-15-11(5,8-2)17-18-12(6,9-3)16-14-10/h7-9H2,1-6H3"	"KVWLLOIEGKLBPA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"2475-46-9"	"DTXSID9041730"	"C.I. Disperse Blue 3"	"EPA_DSSTox"	"CNC1=CC=C(NCCO)C2C(=O)C3C=CC=CC=3C(=O)C1=2"	"?"	"InChI=1S/C17H16N2O3/c1-18-12-6-7-13(19-8-9-20)15-14(12)16(21)10-4-2-3-5-11(10)17(15)22/h2-7,18-20H,8-9H2,1H3"	"NLXFWUZKOOWWFD-UHFFFAOYSA-N"	FALSE	FALSE	1345	3	4
"247569-56-8"	"DTXSID70625845"	"2-Fluoro-5-(methanesulfonyl)benzoic acid"	"EPA_DSSTox"	"CS(=O)(=O)C1C=C(C(O)=O)C(F)=CC=1"	"?"	"InChI=1S/C8H7FO4S/c1-14(12,13)5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)"	"ACBAHAXPEQHVHO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"24771-52-6"	NA	NA	"Public_CrossChecked"	"OC(COCCCCCOCC(O)CCl)CCl"	"?"	"InChI=1S/C11H22Cl2O4/c12-6-10(14)8-16-4-2-1-3-5-17-9-11(15)7-13/h10-11,14-15H,1-9H2"	"CSVIHZAMDIVWRG-UHFFFAOYSA-N"	FALSE	TRUE	2248	3	5
"24789-78-4"	NA	NA	"Public_CrossChecked"	"COC1C=C(C=C(OC)C=1OC)OCC(=O)NCCN(CC)CC"	"[Cl-]"	"InChI=1S/C17H28N2O5/c1-6-19(7-2)9-8-18-16(20)12-24-13-10-14(21-3)17(23-5)15(11-13)22-4/h10-11H,6-9,12H2,1-5H3,(H,18,20)"	"JVRZUSXRCWFRBH-UHFFFAOYSA-N"	FALSE	FALSE	1760	3	4
"24814-29-7"	"DTXSID7075210"	"Urea, N-[5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl]-N'-methyl-"	"EPA_DSSTox"	"CNC(=O)NC1=NN=C(S1)C(C)(C)C"	"?"	"InChI=1S/C8H14N4OS/c1-8(2,3)5-11-12-7(14-5)10-6(13)9-4/h1-4H3,(H2,9,10,12,13)"	"QNZVDHFCJIENKD-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"24815-24-5"	"DTXSID3023554"	"Rescinnamine"	"EPA_DSSTox"	"COC1C=C(C=CC(=O)OC2CC3CN4CCC5C6C=CC(=CC=6NC=5C4CC3C(C2OC)C(=O)OC)OC)C=C(OC)C=1OC"	"?"	"InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3"	"SZLZWPPUNLXJEA-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"24838-84-4"	NA	NA	"Public_CrossChecked"	"CCP(=S)(OCC(C)C)SC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C12H18ClOPS2/c1-4-15(16,14-9-10(2)3)17-12-7-5-11(13)6-8-12/h5-8,10H,4,9H2,1-3H3"	"XBAXKOFIBNFGRF-UHFFFAOYSA-N"	FALSE	FALSE	58	2	3
"24851-98-7"	"DTXSID2029325"	"Methyl dihydrojasmonate"	"EPA_DSSTox"	"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"	FALSE	TRUE	NA	4	5
"24863-70-5"	"DTXSID10179574"	"1-Cyclopentene-1-acetic acid, 3-oxo-2-pentyl-, methyl ester"	"EPA_DSSTox"	"CCCCCC1=C(CCC1=O)CC(=O)OC"	"?"	"InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h3-9H2,1-2H3"	"GJYFXPRHTPSOMM-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"2487-01-6"	"DTXSID50179578"	"Medinoterb acetate [ISO]"	"EPA_DSSTox"	"CC(=O)OC1=C(C=C(C(C)=C1[N+]([O-])=O)[N+]([O-])=O)C(C)(C)C"	"?"	"InChI=1S/C13H16N2O6/c1-7-10(14(17)18)6-9(13(3,4)5)12(21-8(2)16)11(7)15(19)20/h6H,1-5H3"	"LWULXYSYLOIDQY-UHFFFAOYSA-N"	TRUE	FALSE	42	1	2
"2487-90-3"	"DTXSID0027482"	"Trimethoxysilane"	"EPA_DSSTox"	"CO[SiH](OC)OC"	"?"	"InChI=1S/C3H10O3Si/c1-4-7(5-2)6-3/h7H,1-3H3"	"YUYCVXFAYWRXLS-UHFFFAOYSA-N"	FALSE	TRUE	9330	4	5
"24880-45-3"	"DTXSID6074758"	"Docosapentaenoic"	"EPA_DSSTox"	"CCC=CCC=CCC=CCC=CCC=CCCCCCC(O)=O"	"?"	"InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3,(H,23,24)"	"YUFFSWGQGVEMMI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"24916-51-6"	"DTXSID4023595"	"Spiramycin II"	"EPA_DSSTox"	"CC(=O)OC1CC(=O)OC(C)CC=CC=CC(OC2CCC(C(C)O2)N(C)C)C(C)CC(CC=O)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(C2O)N(C)C)C1OC"	"?"	"InChI=1S/C45H76N2O15/c1-25-22-31(20-21-48)41(62-44-39(51)38(47(10)11)40(28(4)58-44)61-37-24-45(7,53)43(52)29(5)57-37)42(54-12)34(59-30(6)49)23-35(50)55-26(2)16-14-13-15-17-33(25)60-36-19-18-32(46(8)9)27(3)56-36/h13-15,17,21,25-29,31-34,36-44,51-53H,16,18-20,22-24H2,1-12H3"	"ZPCCSZFPOXBNDL-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2493-02-9"	"DTXSID1062465"	"p-Bromophenyl isocyanate"	"EPA_DSSTox"	"O=C=NC1C=CC(Br)=CC=1"	"?"	"InChI=1S/C7H4BrNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H"	"CZQIJQFTRGDODI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"24934-91-6"	"DTXSID1037511"	"Chlormephos"	"EPA_DSSTox"	"CCOP(=S)(OCC)SCCl"	"?"	"InChI=1S/C5H12ClO2PS2/c1-3-7-9(10,8-4-2)11-5-6/h3-5H2,1-2H3"	"QGTYWWGEWOBMAK-UHFFFAOYSA-N"	TRUE	FALSE	7	1	2
"24937-16-4"	"DTXSID3040803"	"Nylon 12 (pellet 5 mm)"	"EPA_DSSTox"	"NCCCCCCCCCCCC(O)=O"	"?"	"InChI=1S/C12H25NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11,13H2,(H,14,15)"	"PBLZLIFKVPJDCO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"2495-37-6"	"DTXSID0022193"	"Benzyl methacrylate"	"EPA_DSSTox"	"CC(=C)C(=O)OCC1C=CC=CC=1"	"?"	"InChI=1S/C11H12O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3"	"AOJOEFVRHOZDFN-UHFFFAOYSA-N"	FALSE	TRUE	3980	3	5
"2496-91-5"	"DTXSID6042230"	"O,O-diethyl S-[2-(ethylsulfonyl)-ethyl]phosphorothioate"	"EPA_DSSTox"	"CCS(=O)(=O)CCSP(=O)(OCC)OCC"	"?"	"InChI=1S/C8H19O5PS2/c1-4-12-14(9,13-5-2)15-7-8-16(10,11)6-3/h4-8H2,1-3H3"	"VMXCTQSDRPKAOC-UHFFFAOYSA-N"	TRUE	FALSE	1.9	1	1
"24963-29-9"	"DTXSID30179672"	"2-Benzoxazolinone, 3-acetyl-5-chloro-"	"EPA_DSSTox"	"CC(=O)N1C2C=C(Cl)C=CC=2OC1=O"	"?"	"InChI=1S/C9H6ClNO3/c1-5(12)11-7-4-6(10)2-3-8(7)14-9(11)13/h2-4H,1H3"	"LOYFUELOTCGIOH-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"2497-06-5"	"DTXSID8041901"	"Disulfoton sulfone"	"EPA_DSSTox"	"CCS(=O)(=O)CCSP(=S)(OCC)OCC"	"?"	"InChI=1S/C8H19O4PS3/c1-4-11-13(14,12-5-2)15-7-8-16(9,10)6-3/h4-8H2,1-3H3"	"BKVJOVPVLOJPKJ-UHFFFAOYSA-N"	TRUE	FALSE	7.5	1	2
"2497-07-6"	"DTXSID4037536"	"Oxydisulfoton"	"EPA_DSSTox"	"CCS(=O)CCSP(=S)(OCC)OCC"	"?"	"InChI=1S/C8H19O3PS3/c1-4-10-12(13,11-5-2)14-7-8-15(9)6-3/h4-8H2,1-3H3"	"UPUGLJYNCXXUQV-UHFFFAOYSA-N"	TRUE	FALSE	3.5	1	1
"2497-78-1"	NA	NA	"Public_CrossChecked"	"CCC(CC1C(I)=CC(I)=C(N)C=1I)C(O)=O"	"[Na+]"	"InChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)"	"OIRFJRBSRORBCM-UHFFFAOYSA-N"	FALSE	TRUE	2986	3	5
"2499-58-3"	"DTXSID0062474"	"Heptyl acrylate"	"EPA_DSSTox"	"CCCCCCCOC(=O)C=C"	"?"	"InChI=1S/C10H18O2/c1-3-5-6-7-8-9-12-10(11)4-2/h4H,2-3,5-9H2,1H3"	"SCFQUKBBGYTJNC-UHFFFAOYSA-N"	FALSE	TRUE	4500	3	5
"24994-55-6"	"DTXSID40179704"	"Benzimidazol-5-ol, 4,6-dichloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"OC1=C(Cl)C=C2NC(=NC2=C1Cl)C(F)(F)F"	"?"	"InChI=1S/C8H3Cl2F3N2O/c9-2-1-3-5(4(10)6(2)16)15-7(14-3)8(11,12)13/h1,16H,(H,14,15)"	"NMRBMVUOERUOFI-UHFFFAOYSA-N"	FALSE	FALSE	58	2	3
"2500-88-1"	"DTXSID5062475"	"Disulfide, dioctadecyl"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCCSSCCCCCCCCCCCCCCCCCC"	"?"	"InChI=1S/C36H74S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3"	"MQQKTNDBASEZSD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"25044-01-3"	"DTXSID1073448"	"1-Penten-3-one, 2-methyl-"	"EPA_DSSTox"	"CC(=C)C(=O)CC"	"?"	"InChI=1S/C6H10O/c1-4-6(7)5(2)3/h2,4H2,1,3H3"	"GHHGVSCQWPVENX-UHFFFAOYSA-N"	FALSE	FALSE	419	2	4
"25046-79-1"	"DTXSID9023097"	"Glisoxepide"	"EPA_DSSTox"	"CC1=CC(=NO1)C(=O)NCCC1C=CC(=CC=1)S(=O)(=O)NC(=O)NN1CCCCCC1"	"?"	"InChI=1S/C20H27N5O5S/c1-15-14-18(23-30-15)19(26)21-11-10-16-6-8-17(9-7-16)31(28,29)24-20(27)22-25-12-4-2-3-5-13-25/h6-9,14H,2-5,10-13H2,1H3,(H,21,26)(H2,22,24,27)"	"ZKUDBRCEOBOWLF-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"25057-89-0"	"DTXSID0023901"	"Bentazone"	"EPA_DSSTox"	"CC(C)N1C(=O)C2C=CC=CC=2NS1(=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"	FALSE	FALSE	1100	3	4
"25059-80-7"	"DTXSID7041621"	"Benazolin-ethyl"	"EPA_DSSTox"	"CCOC(=O)CN1C2C(Cl)=CC=CC=2SC1=O"	"?"	"InChI=1S/C11H10ClNO3S/c1-2-16-9(14)6-13-10-7(12)4-3-5-8(10)17-11(13)15/h3-5H,2,6H2,1H3"	"WQRCEBAZAUAUQC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"25061-59-0"	"DTXSID50179755"	"Pyridinium, 1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-, trifluoromethanesulfonate"	"EPA_DSSTox"	"FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[N+]1C=CC=CC=1"	"S([O-])(=O)(=O)C(F)(F)F"	"InChI=1S/C13H7F15N/c14-7(15,6-29-4-2-1-3-5-29)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28/h1-5H,6H2/q+1"	"ZOPSQGIYHAQSLS-UHFFFAOYSA-N"	FALSE	FALSE	1159	3	4
"25086-25-3"	NA	NA	"Public_CrossChecked"	"C1C2OC2CCC1C1CO1"	"?"	"InChI=1S/C8H12O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h5-8H,1-4H2"	"OECTYKWYRCHAKR-UHFFFAOYSA-N"	FALSE	TRUE	2830	3	5
"25103-09-7"	NA	NA	"Public_CrossChecked"	"CC(C)CCCCCOC(=O)CS"	"?"	"InChI=1S/C10H20O2S/c1-9(2)6-4-3-5-7-12-10(11)8-13/h9,13H,3-8H2,1-2H3"	"RZBBHEJLECUBJT-UHFFFAOYSA-N"	FALSE	FALSE	348	2	4
"25103-12-2"	"DTXSID3051919"	"Triisooctyl phosphite"	"EPA_DSSTox"	"CC(C)CCCCCOP(OCCCCCC(C)C)OCCCCCC(C)C"	"?"	"InChI=1S/C24H51O3P/c1-22(2)16-10-7-13-19-25-28(26-20-14-8-11-17-23(3)4)27-21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3"	"DECPGQLXYYCNEZ-UHFFFAOYSA-N"	FALSE	TRUE	9200	4	5
"2511-11-7"	NA	NA	"Public_CrossChecked"	"CCOP(=O)(CC)SCC"	"?"	"InChI=1S/C6H15O2PS/c1-4-8-9(7,5-2)10-6-3/h4-6H2,1-3H3"	"ROHZJRLOFLALPG-UHFFFAOYSA-N"	TRUE	FALSE	7.7	1	2
"2511-15-1"	NA	NA	"Public_CrossChecked"	"CCP(=O)(OCCCC)SCCCC"	"?"	"InChI=1S/C10H23O2PS/c1-4-7-9-12-13(11,6-3)14-10-8-5-2/h4-10H2,1-3H3"	"CUGASPJVUTYINQ-UHFFFAOYSA-N"	TRUE	FALSE	6.1	1	2
"25122-46-7"	"DTXSID6045907"	"Clobetasol propionate"	"EPA_DSSTox"	"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(OC(=O)CC)C(=O)CCl"	"?"	"InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3"	"CBGUOGMQLZIXBE-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"25136-55-4"	NA	NA	"Public_CrossChecked"	"CC1COC(C)CO1"	"?"	"InChI=1S/C6H12O2/c1-5-3-8-6(2)4-7-5/h5-6H,3-4H2,1-2H3"	"AWBIJARKDOFDAN-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"2514-52-5"	"DTXSID0073297"	"2-Cyclopenten-1-one, 2,3,4,4,5,5-hexachloro-"	"EPA_DSSTox"	"O=C1C(Cl)=C(Cl)C(Cl)(Cl)C1(Cl)Cl"	"?"	"InChI=1S/C5Cl6O/c6-1-2(7)4(8,9)5(10,11)3(1)12"	"QFIIFFRWCNYRLM-UHFFFAOYSA-N"	FALSE	FALSE	178	2	3
"2514-53-6"	"DTXSID7041960"	"Ethylene glycol bis(trichloroacetate)"	"EPA_DSSTox"	"O=C(OCCOC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C6H4Cl6O4/c7-5(8,9)3(13)15-1-2-16-4(14)6(10,11)12/h1-2H2"	"SSDZRWBPFCFZGB-UHFFFAOYSA-N"	FALSE	TRUE	7000	4	5
"25155-29-7"	"DTXSID9052680"	"Bis(hydroxymethyl)urea"	"EPA_DSSTox"	"NC(=O)N(CO)CO"	"?"	"InChI=1S/C3H8N2O3/c4-3(8)5(1-6)2-7/h6-7H,1-2H2,(H2,4,8)"	"QAGFPFWZCJWYRP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"25157-64-6"	NA	NA	"Public_CrossChecked"	"O=C1NC(=O)C(N=NC2C(=O)NC(=O)NC2=O)C(=O)N1"	"?"	"InChI=1S/C8H6N6O6/c15-3-1(4(16)10-7(19)9-3)13-14-2-5(17)11-8(20)12-6(2)18/h1-2H,(H2,9,10,15,16,19)(H2,11,12,17,18,20)"	"LCGWXMONLSJYQR-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"25167-83-3"	NA	NA	"Public_CrossChecked"	"OC1C=C(Cl)C(Cl)=C(Cl)C=1Cl"	"?"	"InChI=1S/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H"	"RULKYXXCCZZKDZ-UHFFFAOYSA-N"	FALSE	FALSE	140	2	3
"25168-26-7"	NA	NA	"Public_CrossChecked"	"CC(C)CCCCCOC(=O)COC1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C16H22Cl2O3/c1-12(2)6-4-3-5-9-20-16(19)11-21-15-8-7-13(17)10-14(15)18/h7-8,10,12H,3-6,9,11H2,1-2H3"	"BBPLSOGERZQYQC-UHFFFAOYSA-N"	FALSE	FALSE	982	3	4
"25182-84-7"	"DTXSID10179852"	"3-Nitro-1-propanol"	"EPA_DSSTox"	"[O-][N+](=O)CCCO"	"?"	"InChI=1S/C3H7NO3/c5-3-1-2-4(6)7/h5H,1-3H2"	"YISPKQZWSIMXMX-UHFFFAOYSA-N"	FALSE	FALSE	77	2	3
"2519-30-4"	"DTXSID2020183"	"Black PN"	"EPA_DSSTox"	"CC(=O)NC1=CC=C(C2C=C(C(N=NC3=CC=C(N=NC4=CC=C(C=C4)S(O)(=O)=O)C4C=CC(=CC=43)S(O)(=O)=O)=C(O)C=21)S(O)(=O)=O)S(O)(=O)=O"	"[Na+].[Na+].[Na+].[Na+]"	"InChI=1S/C28H21N5O14S4/c1-14(34)29-23-10-11-24(50(42,43)44)20-13-25(51(45,46)47)27(28(35)26(20)23)33-32-22-9-8-21(18-7-6-17(12-19(18)22)49(39,40)41)31-30-15-2-4-16(5-3-15)48(36,37)38/h2-13,35H,1H3,(H,29,34)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)"	"RXERRVKLABZRCU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"25201-35-8"	NA	NA	"Public_CrossChecked"	"CC(=O)C1C(Cl)=C(Cl)C(Cl)=C(Cl)C=1Cl"	"?"	"InChI=1S/C8H3Cl5O/c1-2(14)3-4(9)6(11)8(13)7(12)5(3)10/h1H3"	"HPWXYMIPHGLDLX-UHFFFAOYSA-N"	FALSE	FALSE	1250	3	4
"2521-01-9"	"DTXSID90179870"	"Encyprate"	"EPA_DSSTox"	"CCOC(=O)N(CC1C=CC=CC=1)C1CC1"	"?"	"InChI=1S/C13H17NO2/c1-2-16-13(15)14(12-8-9-12)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3"	"OGXBVBBMMWSZJO-UHFFFAOYSA-N"	FALSE	FALSE	1380	3	4
"2522-81-8"	"DTXSID00179881"	"Pibecarb"	"EPA_DSSTox"	"CC(C)(C)C(=O)OCC(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C13H16O3/c1-13(2,3)12(15)16-9-11(14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3"	"OTIZTAXUFMCICV-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2523-94-6"	"DTXSID10179892"	"Phosphorodichloridothioic acid, methyl ester"	"EPA_DSSTox"	"COP(=S)(Cl)Cl"	"?"	"InChI=1S/CH3Cl2OPS/c1-4-5(2,3)6/h1H3"	"BJTWJPDCJVKDBK-UHFFFAOYSA-N"	FALSE	FALSE	215	2	3
"2524-03-0"	"DTXSID0027486"	"O,O-Dimethyl chlorothiophosphate"	"EPA_DSSTox"	"COP(=S)(Cl)OC"	"?"	"InChI=1S/C2H6ClO2PS/c1-4-6(3,7)5-2/h1-2H3"	"XFBJRFNXPUCPKU-UHFFFAOYSA-N"	FALSE	FALSE	540	3	4
"2524-09-6"	"DTXSID5073298"	"O,O,S- Triethyl dithiophosphate"	"EPA_DSSTox"	"CCSP(=S)(OCC)OCC"	"?"	"InChI=1S/C6H15O2PS2/c1-4-7-9(10,8-5-2)11-6-3/h4-6H2,1-3H3"	"BZVCTTJRBWHTOF-UHFFFAOYSA-N"	FALSE	FALSE	80	2	3
"2524-64-3"	"DTXSID2044892"	"Diphenyl phosphorochloridate"	"EPA_DSSTox"	"O=P(Cl)(OC1C=CC=CC=1)OC1C=CC=CC=1"	"?"	"InChI=1S/C12H10ClO3P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H"	"BHIIGRBMZRSDRI-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"25265-77-4"	NA	NA	"Public_CrossChecked"	"CC(C)C(=O)OCC(C)(C)C(O)C(C)C"	"?"	"InChI=1S/C12H24O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4/h8-10,13H,7H2,1-6H3"	"DAFHKNAQFPVRKR-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"2528-36-1"	"DTXSID2024957"	"Dibutyl phenyl phosphate"	"EPA_DSSTox"	"CCCCOP(=O)(OC1C=CC=CC=1)OCCCC"	"?"	"InChI=1S/C14H23O4P/c1-3-5-12-16-19(15,17-13-6-4-2)18-14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3"	"YICSVBJRVMLQNS-UHFFFAOYSA-N"	FALSE	TRUE	2140	3	5
"2528-38-3"	"DTXSID3052698"	"Tripentyl phosphate"	"EPA_DSSTox"	"CCCCCOP(=O)(OCCCCC)OCCCCC"	"?"	"InChI=1S/C15H33O4P/c1-4-7-10-13-17-20(16,18-14-11-8-5-2)19-15-12-9-6-3/h4-15H2,1-3H3"	"QJAVUVZBMMXBRO-UHFFFAOYSA-N"	FALSE	TRUE	23400	4	5
"2530-87-2"	"DTXSID4027490"	"(3-Chloropropyl)trimethoxysilane"	"EPA_DSSTox"	"CO[Si](CCCCl)(OC)OC"	"?"	"InChI=1S/C6H15ClO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4-6H2,1-3H3"	"OXYZDRAJMHGSMW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"25319-90-8"	"DTXSID0042115"	"MCPA-thioethyl"	"EPA_DSSTox"	"CC1C=C(Cl)C=CC=1OCC(=O)SCC"	"?"	"InChI=1S/C11H13ClO2S/c1-3-15-11(13)7-14-10-5-4-9(12)6-8(10)2/h4-6H,3,7H2,1-2H3"	"AZFKQCNGMSSWDS-UHFFFAOYSA-N"	FALSE	FALSE	790	3	4
"2532-49-2"	"DTXSID2041549"	"6-Methyl-2-propyl-4-pyrimidinyl dimethylcarbamate"	"EPA_DSSTox"	"CC1=CC(=NC(CCC)=N1)OC(=O)N(C)C"	"?"	"InChI=1S/C11H17N3O2/c1-5-6-9-12-8(2)7-10(13-9)16-11(15)14(3)4/h7H,5-6H2,1-4H3"	"CQRUIYKYVFQBRT-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"2532-91-4"	"DTXSID20179964"	"Benzoic acid, 2-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, sodium salt"	"EPA_DSSTox"	"CC1=NC2C=CC=CC=2C(=O)N1C1C=CC=CC=1C(O)=O"	"[Na+]"	"InChI=1S/C16H12N2O3/c1-10-17-13-8-4-2-6-11(13)15(19)18(10)14-9-5-3-7-12(14)16(20)21/h2-9H,1H3,(H,20,21)"	"NVCRIJIVAAYRER-UHFFFAOYSA-N"	FALSE	FALSE	1550	3	4
"2532-92-5"	"DTXSID80179965"	"Benzoic acid, 4-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, 2-(diethylamino)ethyl ester, hydrochloride"	"EPA_DSSTox"	"CC1=NC2C=CC=CC=2C(=O)N1C1C=CC(=CC=1)C(=O)OCCN(CC)CC"	"Cl"	"InChI=1S/C22H25N3O3/c1-4-24(5-2)14-15-28-22(27)17-10-12-18(13-11-17)25-16(3)23-20-9-7-6-8-19(20)21(25)26/h6-13H,4-5,14-15H2,1-3H3"	"BNBPIIXOCZZPCZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"25321-41-9"	"DTXSID4027860"	"Xylenesulfonic acid"	"EPA_DSSTox"	"CC1C(=CC=CC=1C)S(O)(=O)=O"	"?"	"InChI=1S/C8H10O3S/c1-6-4-3-5-8(7(6)2)12(9,10)11/h3-5H,1-2H3,(H,9,10,11)"	"ZZXDRXVIRVJQBT-UHFFFAOYSA-N"	FALSE	NA	NA	3	NA
"25322-69-4"	NA	NA	"Public_CrossChecked"	"CC(O)COC(C)CO"	"?"	"InChI=1S/C6H14O3/c1-5(8)4-9-6(2)3-7/h5-8H,3-4H2,1-2H3"	"DUFKCOQISQKSAV-UHFFFAOYSA-N"	FALSE	TRUE	2280	3	5
"25327-89-3"	"DTXSID2029327"	"Tetrabromobisphenol A diallyl ether"	"EPA_DSSTox"	"CC(C)(C1=CC(Br)=C(OCC=C)C(Br)=C1)C1=CC(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"	FALSE	TRUE	NA	4	5
"25331-92-4"	NA	NA	"Public_CrossChecked"	"CC1NC2CCC(CN3CCC4(CC3)OCCO4)C(=O)C=2C=1CC"	"?"	"InChI=1S/C19H28N2O3/c1-3-15-13(2)20-16-5-4-14(18(22)17(15)16)12-21-8-6-19(7-9-21)23-10-11-24-19/h14,20H,3-12H2,1-2H3"	"HEYLEFPQDGEAMH-UHFFFAOYSA-N"	FALSE	FALSE	240	2	3
"25332-39-2"	"DTXSID8044626"	"Trazodone hydrochloride"	"EPA_DSSTox"	"O=C1N2C=CC=CC2=NN1CCCN1CCN(CC1)C1C=C(Cl)C=CC=1"	"Cl"	"InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2"	"PHLBKPHSAVXXEF-UHFFFAOYSA-N"	FALSE	FALSE	690	3	4
"25333-96-4"	"DTXSID80179980"	"Spasmolytol"	"EPA_DSSTox"	"COC1C(COCCN(CC)CC)=CC(Br)=CC=1Br"	"?"	"InChI=1S/C14H21Br2NO2/c1-4-17(5-2)6-7-19-10-11-8-12(15)9-13(16)14(11)18-3/h8-9H,4-7,10H2,1-3H3"	"NPKOWFSBIXNSIE-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"2536-31-4"	"DTXSID4032534"	"Chlorflurenol-methyl"	"EPA_DSSTox"	"COC(=O)C1(O)C2C=C(Cl)C=CC=2C2C=CC=CC1=2"	"?"	"InChI=1S/C15H11ClO3/c1-19-14(17)15(18)12-5-3-2-4-10(12)11-7-6-9(16)8-13(11)15/h2-8,18H,1H3"	"LINPVWIEWJTEEJ-UHFFFAOYSA-N"	FALSE	TRUE	3100	3	5
"25360-10-5"	NA	NA	"Public_CrossChecked"	"CCCCCCC(C)(C)S"	"?"	"InChI=1S/C9H20S/c1-4-5-6-7-8-9(2,3)10/h10H,4-8H2,1-3H3"	"MPBLPZLNKKGCGP-UHFFFAOYSA-N"	FALSE	TRUE	5550	4	5
"25371-54-4"	"DTXSID7067087"	"Phosphonic acid, octadecyl-, dimethyl ester"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCCP(=O)(OC)OC"	"?"	"InChI=1S/C20H43O3P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21,22-2)23-3/h4-20H2,1-3H3"	"FPYLHOQPWCQAIJ-UHFFFAOYSA-N"	FALSE	TRUE	15400	4	5
"25389-94-0"	"DTXSID1047524"	"Kanamycin A sulfate"	"EPA_DSSTox"	"NCC1OC(OC2C(O)C(OC3OC(CO)C(O)C(N)C3O)C(N)CC2N)C(O)C(O)C1O"	"S(=O)(=O)(O)O"	"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"	FALSE	TRUE	NA	3	5
"2539-17-5"	"DTXSID0044155"	"3,4,5,6-Tetrachloroguaiacol"	"EPA_DSSTox"	"COC1=C(O)C(Cl)=C(Cl)C(Cl)=C1Cl"	"?"	"InChI=1S/C7H4Cl4O2/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h12H,1H3"	"YZZVKLJKDFFSFL-UHFFFAOYSA-N"	FALSE	FALSE	1690	3	4
"25398-39-4"	NA	NA	"Public_CrossChecked"	"CC(=O)C=CC1=CC=CO1"	"?"	"InChI=1S/C8H8O2/c1-7(9)4-5-8-3-2-6-10-8/h2-6H,1H3"	"GBKGJMYPQZODMI-UHFFFAOYSA-N"	FALSE	FALSE	325	2	4
"25402-06-6"	"DTXSID4041787"	"Cinerin I"	"EPA_DSSTox"	"CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=CC)=C2C)C1(C)C"	"?"	"InChI=1S/C20H28O3/c1-7-8-9-14-13(4)17(11-16(14)21)23-19(22)18-15(10-12(2)3)20(18,5)6/h7-8,10,15,17-18H,9,11H2,1-6H3"	"FMTFEIJHMMQUJI-UHFFFAOYSA-N"	FALSE	FALSE	1030	3	4
"2544-52-7"	"DTXSID70180101"	"Phosphorothioic acid, O,O-diethyl ester, S-ester with 3-(mercaptomethyl)-5-methyl-1,3,4-oxadiazol-2(3H)-one"	"EPA_DSSTox"	"CC1=NN(CSP(=O)(OCC)OCC)C(=O)O1"	"?"	"InChI=1S/C8H15N2O5PS/c1-4-13-16(12,14-5-2)17-6-10-8(11)15-7(3)9-10/h4-6H2,1-3H3"	"BMGRCCNWEFPJON-UHFFFAOYSA-N"	TRUE	FALSE	1	1	1
"25448-25-3"	"DTXSID3027873"	"Phosphorous acid, triisodecyl ester"	"EPA_DSSTox"	"CC(C)CCCCCCCOP(OCCCCCCCC(C)C)OCCCCCCCC(C)C"	"?"	"InChI=1S/C30H63O3P/c1-28(2)22-16-10-7-13-19-25-31-34(32-26-20-14-8-11-17-23-29(3)4)33-27-21-15-9-12-18-24-30(5)6/h28-30H,7-27H2,1-6H3"	"QEDNBHNWMHJNAB-UHFFFAOYSA-N"	FALSE	TRUE	12000	4	5
"2545-60-0"	"DTXSID8034821"	"Picloram-potassium"	"EPA_DSSTox"	"NC1C(Cl)=C(Cl)N=C(C(O)=O)C=1Cl"	"[K+]"	"InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)"	"NQQVFXUMIDALNH-UHFFFAOYSA-N"	FALSE	FALSE	686	3	4
"25451-15-4"	"DTXSID9023041"	"Felbamate"	"EPA_DSSTox"	"NC(=O)OCC(COC(N)=O)C1C=CC=CC=1"	"?"	"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"	FALSE	TRUE	NA	4	5
"25476-48-6"	NA	NA	"Public_CrossChecked"	"CCS(=O)(=O)CCOP(=S)(OC)OC"	"?"	"InChI=1S/C6H15O5PS2/c1-4-14(7,8)6-5-11-12(13,9-2)10-3/h4-6H2,1-3H3"	"UQNYAMFNNOTGCQ-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"25485-88-5"	"DTXSID2051928"	"Cyclohexyl 2-hydroxybenzoate"	"EPA_DSSTox"	"OC1C=CC=CC=1C(=O)OC1CCCCC1"	"?"	"InChI=1S/C13H16O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h4-5,8-10,14H,1-3,6-7H2"	"NUQDJSMHGCTKNL-UHFFFAOYSA-N"	FALSE	TRUE	3031	3	5
"2549-93-1"	"DTXSID4062511"	"1,4-Cyclohexanedimethanamine"	"EPA_DSSTox"	"NCC1CCC(CC1)CN"	"?"	"InChI=1S/C8H18N2/c9-5-7-1-2-8(6-10)4-3-7/h7-8H,1-6,9-10H2"	"OXIKYYJDTWKERT-UHFFFAOYSA-N"	FALSE	FALSE	530	3	4
"25497-30-7"	NA	NA	"Public_CrossChecked"	"FC(F)(F)C(F)(Br)Br"	"?"	"InChI=1S/C2Br2F4/c3-1(4,5)2(6,7)8"	"JLGADZLAECENGR-UHFFFAOYSA-N"	FALSE	TRUE	54649.9999999999	4	5
"25497-49-8"	"DTXSID50180184"	"Gossypol, diamino-"	"EPA_DSSTox"	"CC1C(C2=C(O)C3=C(C(C(C)C)=C(O)C(O)=C3C=O)C(N)=C2C)=C(O)C2=C(C(C(C)C)=C(O)C(O)=C2C=O)C=1N"	"?"	"InChI=1S/C30H32N2O8/c1-9(2)15-21-19(13(7-33)25(35)29(15)39)27(37)17(11(5)23(21)31)18-12(6)24(32)22-16(10(3)4)30(40)26(36)14(8-34)20(22)28(18)38/h7-10,35-40H,31-32H2,1-6H3"	"XAIGQYIRSXFPCB-UHFFFAOYSA-N"	FALSE	TRUE	3270	3	5
"2550-06-3"	"DTXSID4027492"	"Trichloro(3-chloropropyl)silane"	"EPA_DSSTox"	"ClCCC[Si](Cl)(Cl)Cl"	"?"	"InChI=1S/C3H6Cl4Si/c4-2-1-3-8(5,6)7/h1-3H2"	"OOXSLJBUMMHDKW-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"25505-97-9"	"DTXSID00180194"	"Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4,6-trimethyl-"	"EPA_DSSTox"	"CC1=NN(C)C(=O)C2=NOC(C)=C12"	"?"	"InChI=1S/C8H9N3O2/c1-4-6-5(2)13-10-7(6)8(12)11(3)9-4/h1-3H3"	"GWVOLGIOVUXWAJ-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"25505-98-0"	"DTXSID60180195"	"Isoxazolo(3,4-d)pyridazin-7(6H)-one, 6-methyl-4-phenyl-"	"EPA_DSSTox"	"CN1N=C(C2=CON=C2C1=O)C1C=CC=CC=1"	"?"	"InChI=1S/C12H9N3O2/c1-15-12(16)11-9(7-17-14-11)10(13-15)8-5-3-2-4-6-8/h2-7H,1H3"	"XTNGCLPUGZJGOH-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"25505-99-1"	"DTXSID20180196"	"Isoxazolo(3,4-d)pyridazin-7(6H)-one, 4,6-diphenyl-"	"EPA_DSSTox"	"O=C1C2=NOC=C2C(=NN1C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C17H11N3O2/c21-17-16-14(11-22-19-16)15(12-7-3-1-4-8-12)18-20(17)13-9-5-2-6-10-13/h1-11H"	"LBUYGKIHAVPWJS-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"25506-01-8"	"DTXSID40180198"	"Isoxazolo(3,4-d)pyridazin-7(6H)-one, 4,6-diphenyl-3-methyl-"	"EPA_DSSTox"	"CC1ON=C2C(=O)N(N=C(C2=1)C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C18H13N3O2/c1-12-15-16(13-8-4-2-5-9-13)19-21(14-10-6-3-7-11-14)18(22)17(15)20-23-12/h2-11H,1H3"	"JXQJWJVSXBROGH-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"25506-06-3"	"DTXSID00180199"	"Isoxazolo(3,4-d)pyridazin-7(6H)-one, 4-phenyl-"	"EPA_DSSTox"	"O=C1NN=C(C2=CON=C21)C1C=CC=CC=1"	"?"	"InChI=1S/C11H7N3O2/c15-11-10-8(6-16-14-10)9(12-13-11)7-4-2-1-3-5-7/h1-6H,(H,13,15)"	"GXRAZEHWDPPKRU-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"2554-06-5"	"DTXSID3038808"	"1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane"	"EPA_DSSTox"	"C[Si]1(C=C)O[Si](C)(C=C)O[Si](C)(C=C)O[Si](C)(C=C)O1"	"?"	"InChI=1S/C12H24O4Si4/c1-9-17(5)13-18(6,10-2)15-20(8,12-4)16-19(7,11-3)14-17/h9-12H,1-4H2,5-8H3"	"VMAWODUEPLAHOE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"25546-65-0"	"DTXSID6048541"	"Ribostamycin"	"EPA_DSSTox"	"NCC1OC(OC2C(OC3OC(CO)C(O)C3O)C(O)C(N)CC2N)C(N)C(O)C1O"	"?"	"InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2"	"NSKGQURZWSPSBC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2556-10-7"	"DTXSID6051930"	"[2-(1-Ethoxyethoxy)ethyl]benzene"	"EPA_DSSTox"	"CCOC(C)OCCC1C=CC=CC=1"	"?"	"InChI=1S/C12H18O2/c1-3-13-11(2)14-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3"	"QQDGMPOYFGNLMT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"25567-67-3"	NA	NA	"Public_CrossChecked"	"[O-][N+](=O)C1=CC=CC(Cl)=C1[N+]([O-])=O"	"?"	"InChI=1S/C6H3ClN2O4/c7-4-2-1-3-5(8(10)11)6(4)9(12)13/h1-3H"	"KYDXWCHDUCDNGR-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"25586-42-9"	"DTXSID3027879"	"Phosphorous acid, tris(methylphenyl) ester"	"EPA_DSSTox"	"CC1C=CC=CC=1OP(OC1C=CC=CC=1C)OC1C=CC=CC=1C"	"?"	"InChI=1S/C21H21O3P/c1-16-10-4-7-13-19(16)22-25(23-20-14-8-5-11-17(20)2)24-21-15-9-6-12-18(21)3/h4-15H,1-3H3"	"BKHZQJRTFNFCTG-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"25586-43-0"	NA	NA	"Public_CrossChecked"	"ClC1C=CC=C2C=CC=CC2=1"	"?"	"InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H"	"JTPNRXUCIXHOKM-UHFFFAOYSA-N"	FALSE	TRUE	2200	3	5
"25601-41-6"	"DTXSID30365139"	"methyl 9-decenoate"	"EPA_DSSTox"	"COC(=O)CCCCCCCC=C"	"?"	"InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3H,1,4-10H2,2H3"	"SBIGSHCJXYGFMX-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"25601-84-7"	"DTXSID8058037"	"Methocrotophos"	"EPA_DSSTox"	"CC(=CC(=O)N(C)OC)OP(=O)(OC)OC"	"?"	"InChI=1S/C8H16NO6P/c1-7(6-8(10)9(2)12-3)15-16(11,13-4)14-5/h6H,1-5H3"	"WEDGYOKZJHBCGP-UHFFFAOYSA-N"	TRUE	FALSE	2	1	1
"25606-41-1"	"DTXSID6034849"	"Propamocarb hydrochloride"	"EPA_DSSTox"	"CCCOC(=O)NCCCN(C)C"	"Cl"	"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"	FALSE	TRUE	2001	3	5
"25618-55-7"	NA	NA	"Public_CrossChecked"	"OC(CO)CO"	"?"	"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2"	"PEDCQBHIVMGVHV-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"25637-99-4"	"DTXSID8025383"	"Hexabromocyclododecane, mixed isomers"	"EPA_DSSTox"	"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"	FALSE	TRUE	NA	4	5
"25646-22-4"	NA	NA	"Public_CrossChecked"	"C=CCNP(=O)(OC=C(Cl)Cl)OCCCl"	"?"	"InChI=1S/C7H11Cl3NO3P/c1-2-4-11-15(12,13-5-3-8)14-6-7(9)10/h2,6H,1,3-5H2,(H,11,12)"	"WNFBQMBSZZCOJJ-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"25646-24-6"	NA	NA	"Public_CrossChecked"	"C=CCNP(=O)(OC=C(Cl)Cl)OC1CCCCC1"	"?"	"InChI=1S/C11H18Cl2NO3P/c1-2-8-14-18(15,16-9-11(12)13)17-10-6-4-3-5-7-10/h2,9-10H,1,3-8H2,(H,14,15)"	"CGWWNNSVTHJLHD-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"25646-77-9"	NA	NA	"Public_CrossChecked"	"CC1C=C(C=CC=1N)N(CCO)CC"	"?"	"InChI=1S/C11H18N2O/c1-3-13(6-7-14)10-4-5-11(12)9(2)8-10/h4-5,8,14H,3,6-7,12H2,1-2H3"	"QTLHLXYADXCVCF-UHFFFAOYSA-N"	TRUE	FALSE	35	1	2
"25679-28-1"	"DTXSID4058651"	"(Z)-Anethole"	"EPA_DSSTox"	"CC=CC1=CC=C(C=C1)OC"	"?"	"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3"	"RUVINXPYWBROJD-UHFFFAOYSA-N"	FALSE	FALSE	150	2	3
"2568-25-4"	"DTXSID60862989"	"1,3-Dioxolane, 4-methyl-2-phenyl-"	"EPA_DSSTox"	"CC1COC(O1)C1C=CC=CC=1"	"?"	"InChI=1S/C10H12O2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3"	"CDIKGISJRLTLRA-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"257-07-8"	"DTXSID8059764"	"Dibenz[b,f][1,4]oxazepine"	"EPA_DSSTox"	"C1=NC2C=CC=CC=2OC2C=CC=CC=21"	"?"	"InChI=1S/C13H9NO/c1-3-7-12-10(5-1)9-14-11-6-2-4-8-13(11)15-12/h1-9H"	"NPUACKRELIJTFM-UHFFFAOYSA-N"	FALSE	FALSE	563	3	4
"25713-60-4"	"DTXSID0058695"	"2,4,6-Tris-(2,4,6-tribromophenoxy)-1,3,5-triazine"	"EPA_DSSTox"	"BrC1=CC(Br)=C(OC2N=C(N=C(N=2)OC2C(Br)=CC(Br)=CC=2Br)OC2C(Br)=CC(Br)=CC=2Br)C(Br)=C1"	"?"	"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"	FALSE	TRUE	NA	3	5
"25717-80-0"	"DTXSID0045171"	"Molsidomine"	"EPA_DSSTox"	"CCOC(=O)NC1=C[N+](=NO1)N1CCOCC1"	"?"	"InChI=1S/C9H14N4O4/c1-2-16-9(14)10-8-7-13(11-17-8)12-3-5-15-6-4-12/h7H,2-6H2,1H3/p+1"	"XLFWDASMENKTKL-UHFFFAOYSA-O"	FALSE	FALSE	1050	3	4
"25724-11-2"	NA	NA	"Public_CrossChecked"	"CC(CC(CC(OC)OC)OC)OC"	"?"	"InChI=1S/C10H22O4/c1-8(11-2)6-9(12-3)7-10(13-4)14-5/h8-10H,6-7H2,1-5H3"	"HESUCHCHWQCMAR-UHFFFAOYSA-N"	FALSE	TRUE	4090	3	5
"25724-50-9"	"DTXSID80180410"	"Pyrazole, 3,5-dimethyl-1-((trichloromethyl)thio)-"	"EPA_DSSTox"	"CC1=CC(C)=NN1SC(Cl)(Cl)Cl"	"?"	"InChI=1S/C6H7Cl3N2S/c1-4-3-5(2)11(10-4)12-6(7,8)9/h3H,1-2H3"	"JOYZSUIELWWXHQ-UHFFFAOYSA-N"	FALSE	FALSE	570	3	4
"25724-60-1"	"DTXSID40180411"	"Succinic acid, bis(2-(2-ethoxybutoxy)ethyl) ester"	"EPA_DSSTox"	"CCC(COCCOC(=O)CCC(=O)OCCOCC(CC)CC)CC"	"?"	"InChI=1S/C20H38O6/c1-5-17(6-2)15-23-11-13-25-19(21)9-10-20(22)26-14-12-24-16-18(7-3)8-4/h17-18H,5-16H2,1-4H3"	"XKBUCJYNRHGGOM-UHFFFAOYSA-N"	FALSE	TRUE	3300	3	5
"25756-29-0"	NA	NA	"Public_CrossChecked"	"CNCC1CCCCC1"	"?"	"InChI=1S/C8H17N/c1-9-7-8-5-3-2-4-6-8/h8-9H,2-7H2,1H3"	"IWHLPMBLJZJCJK-UHFFFAOYSA-N"	FALSE	FALSE	1410	3	4
"2578-45-2"	"DTXSID7062532"	"Pyridine, 2-chloro-3,5-dinitro-"	"EPA_DSSTox"	"[O-][N+](=O)C1C=NC(Cl)=C(C=1)[N+]([O-])=O"	"?"	"InChI=1S/C5H2ClN3O4/c6-5-4(9(12)13)1-3(2-7-5)8(10)11/h1-2H"	"QLHVJBXAQWPEDI-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"2579-20-6"	"DTXSID4041238"	"1,3-Cyclohexanedimethanamine"	"EPA_DSSTox"	"NCC1CC(CCC1)CN"	"?"	"InChI=1S/C8H18N2/c9-5-7-2-1-3-8(4-7)6-10/h7-8H,1-6,9-10H2"	"QLBRROYTTDFLDX-UHFFFAOYSA-N"	FALSE	FALSE	880	3	4
"2581-34-2"	"DTXSID2062535"	"4-Nitro-m-cresol"	"EPA_DSSTox"	"CC1C=C(O)C=CC=1[N+]([O-])=O"	"?"	"InChI=1S/C7H7NO3/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,9H,1H3"	"PIIZYNQECPTVEO-UHFFFAOYSA-N"	FALSE	FALSE	1200	3	4
"25812-30-0"	"DTXSID0020652"	"Gemfibrozil"	"EPA_DSSTox"	"CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=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"	FALSE	FALSE	479	2	4
"2583-80-4"	"DTXSID2062539"	"2H-Naphtho[1,2-d]triazole-7-sulfonic acid, 2-[4-(2-phenylethenyl)-3-sulfophenyl]-, disodium salt"	"EPA_DSSTox"	"OS(=O)(=O)C1=CC2C=CC3=NN(N=C3C=2C=C1)C1=CC(=CC=C1C=CC1C=CC=CC=1)S(O)(=O)=O"	"[Na+].[Na+]"	"InChI=1S/C24H17N3O6S2/c28-34(29,30)19-11-12-21-18(14-19)9-13-22-24(21)26-27(25-22)23-15-20(35(31,32)33)10-8-17(23)7-6-16-4-2-1-3-5-16/h1-15H,(H,28,29,30)(H,31,32,33)"	"YQFDOKPYHNBWES-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"25841-38-7"	"DTXSID40180496"	"1-Propanol, 2-methyl-2-(methylsulfonyl)-"	"EPA_DSSTox"	"CC(C)(CO)S(C)(=O)=O"	"?"	"InChI=1S/C5H12O3S/c1-5(2,4-6)9(3,7)8/h6H,4H2,1-3H3"	"VGTHOALDAXYSSP-UHFFFAOYSA-N"	FALSE	TRUE	11300	4	5
"25841-41-2"	NA	NA	"Public_CrossChecked"	"CS(=O)C(C)(C)C(N)=O"	"?"	"InChI=1S/C5H11NO2S/c1-5(2,4(6)7)9(3)8/h1-3H3,(H2,6,7)"	"MUECCSKNNXBJNI-UHFFFAOYSA-N"	FALSE	TRUE	16000	4	5
"25841-43-4"	"DTXSID00180497"	"Propionic acid, 2-methyl-2-(methylsulfonyl)-"	"EPA_DSSTox"	"CC(C)(C(O)=O)S(C)(=O)=O"	"?"	"InChI=1S/C5H10O4S/c1-5(2,4(6)7)10(3,8)9/h1-3H3,(H,6,7)"	"LVWJRYVSTKPXMQ-UHFFFAOYSA-N"	FALSE	TRUE	5700	4	5
"2585-36-6"	"DTXSID50180503"	"Nereistoxin dicyanate hydrogen oxalate"	"EPA_DSSTox"	"CN(C)C(CSC#N)CSC#N"	"OC(=O)C(O)=O"	"InChI=1S/C7H11N3S2/c1-10(2)7(3-11-5-8)4-12-6-9/h7H,3-4H2,1-2H3"	"BOXLJKXGZDMCIU-UHFFFAOYSA-N"	FALSE	FALSE	125	2	3
"2586-57-4"	"DTXSID80889456"	"C.I. Direct Blue 22"	"EPA_DSSTox"	"COC1C=C(C=CC=1N=NC1C2=CC=CC=C2C=CC=1O)C1=CC(OC)=C(C=C1)N=NC1=CC2C(N)=C(C=C(C=2C=C1)S(O)=O)S(O)(=O)=O"	"[Na+].[Na+]"	"InChI=1S/C34H27N5O8S2/c1-46-29-15-20(21-8-13-27(30(16-21)47-2)38-39-34-23-6-4-3-5-19(23)9-14-28(34)40)7-12-26(29)37-36-22-10-11-24-25(17-22)33(35)32(49(43,44)45)18-31(24)48(41)42/h3-18,40H,35H2,1-2H3,(H,41,42)(H,43,44,45)"	"RYHHCMMKYZKIGY-UHFFFAOYSA-N"	FALSE	TRUE	6700	4	5
"2587-90-8"	"DTXSID2041838"	"Demephion-S"	"EPA_DSSTox"	"CSCCSP(=O)(OC)OC"	"?"	"InChI=1S/C5H13O3PS2/c1-7-9(6,8-2)11-5-4-10-3/h4-5H2,1-3H3"	"PSTWJANBJOHFQJ-UHFFFAOYSA-N"	TRUE	FALSE	20	1	2
"25875-51-8"	"DTXSID9046813"	"Robenidine"	"EPA_DSSTox"	"ClC1C=CC(C=NNC(=N)NN=CC2C=CC(Cl)=CC=2)=CC=1"	"?"	"InChI=1S/C15H13Cl2N5/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12/h1-10H,(H3,18,21,22)"	"MOOFYEJFXBSZGE-UHFFFAOYSA-N"	FALSE	FALSE	1350	3	4
"2588-03-6"	"DTXSID1042283"	"Phorate sulfoxide"	"EPA_DSSTox"	"CCS(=O)CSP(=S)(OCC)OCC"	"?"	"InChI=1S/C7H17O3PS3/c1-4-9-11(12,10-5-2)13-7-14(8)6-3/h4-7H2,1-3H3"	"XRQHTUDGPWMPKX-UHFFFAOYSA-N"	TRUE	FALSE	2	1	1
"2589-01-7"	NA	NA	"Public_CrossChecked"	"C(OC1N=C(N=C(N=1)OCC1CO1)OCC1CO1)C1CO1"	"?"	"InChI=1S/C12H15N3O6/c1-7(16-1)4-19-10-13-11(20-5-8-2-17-8)15-12(14-10)21-6-9-3-18-9/h7-9H,1-6H2"	"BLPURQSRCDKZNX-UHFFFAOYSA-N"	FALSE	FALSE	1680	3	4
"2589-15-3"	NA	NA	"Public_CrossChecked"	"ClC1(Cl)C2(Cl)C3CCC(Cl)C3C1(Cl)C(Cl)=C2Cl"	"?"	"InChI=1S/C10H7Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h3-5H,1-2H2"	"DRKYTUDHOKREMS-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"25900-68-9"	NA	NA	"Public_CrossChecked"	"CN(C)C(=O)ON=C(C#N)C1C=CC=CC=1"	"?"	"InChI=1S/C11H11N3O2/c1-14(2)11(15)16-13-10(8-12)9-6-4-3-5-7-9/h3-7H,1-2H3"	"OLJIJBWFHVOPFH-UHFFFAOYSA-N"	TRUE	FALSE	30.8	1	2
"2591-57-3"	NA	NA	"Public_CrossChecked"	"COP(=S)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O"	"?"	"InChI=1S/C9H12NO5PS/c1-3-14-16(17,13-2)15-9-6-4-8(5-7-9)10(11)12/h4-7H,3H2,1-2H3"	"NABCJYMXPFVERX-UHFFFAOYSA-N"	TRUE	FALSE	2.85	1	1
"2591-66-4"	NA	NA	"Public_CrossChecked"	"COP(N)(=S)OC1C=C(Cl)C(Cl)=CC=1Cl"	"?"	"InChI=1S/C7H7Cl3NO2PS/c1-12-14(11,15)13-7-3-5(9)4(8)2-6(7)10/h2-3H,1H3,(H2,11,15)"	"WRWBHVIYUCQSIA-UHFFFAOYSA-N"	FALSE	FALSE	700	3	4
"2592-62-3"	"DTXSID2041543"	"6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-3-methyl-6,9-methano-2,4-benzodioxepin"	"EPA_DSSTox"	"CC1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl"	"?"	"InChI=1S/C11H10Cl6O2/c1-4-18-2-5-6(3-19-4)10(15)8(13)7(12)9(5,14)11(10,16)17/h4-6H,2-3H2,1H3"	"VJWJSBXWCZQODM-UHFFFAOYSA-N"	FALSE	FALSE	120	2	3
"25923-97-1"	NA	NA	"Public_CrossChecked"	"CCOP(=S)(OCC)SCSCC1C=CC=CC=1"	"?"	"InChI=1S/C12H19O2PS3/c1-3-13-15(16,14-4-2)18-11-17-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3"	"REAKGZQBPMRQGU-UHFFFAOYSA-N"	TRUE	FALSE	6	1	2
"2593-14-8"	NA	NA	"Public_CrossChecked"	"CCC(C)N"	"CC(=O)O"	"InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3"	"BHRZNVHARXXAHW-UHFFFAOYSA-N"	FALSE	TRUE	2060	3	5
"2593-15-9"	"DTXSID3032547"	"Etridiazole"	"EPA_DSSTox"	"CCOC1=NC(=NS1)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3"	"KQTVWCSONPJJPE-UHFFFAOYSA-N"	FALSE	FALSE	1028	3	4
"2595-54-2"	"DTXSID0042117"	"Mecarbam"	"EPA_DSSTox"	"CN(C(=O)CSP(=S)(OCC)OCC)C(=O)OCC"	"?"	"InChI=1S/C10H20NO5PS2/c1-5-14-10(13)11(4)9(12)8-19-17(18,15-6-2)16-7-3/h5-8H2,1-4H3"	"KLGMSAOQDHLCOS-UHFFFAOYSA-N"	TRUE	FALSE	31	1	2
"25953-06-4"	"DTXSID4025036"	"5-Diethylamino-2-nitrosophenol hydrochloride"	"EPA_DSSTox"	"CCN(CC)C1C=C(O)C(=CC=1)N=O"	"Cl"	"InChI=1S/C10H14N2O2/c1-3-12(4-2)8-5-6-9(11-14)10(13)7-8/h5-7,13H,3-4H2,1-2H3"	"NXYYRSJPSPRDEO-UHFFFAOYSA-N"	FALSE	FALSE	315	2	4
"25953-19-9"	"DTXSID2022753"	"Cefazolin"	"EPA_DSSTox"	"CC1=NN=C(S1)SCC1CSC2C(NC(=O)CN3C=NN=N3)C(=O)N2C=1C(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"	FALSE	TRUE	NA	4	5
"25954-13-6"	"DTXSID9032406"	"Fosamine ammonium"	"EPA_DSSTox"	"CCOP(O)(=O)C(N)=O"	"[NH4+]"	"InChI=1S/C3H8NO4P/c1-2-8-9(6,7)3(4)5/h2H2,1H3,(H2,4,5)(H,6,7)"	"UCHDFLNGIZUADY-UHFFFAOYSA-N"	FALSE	TRUE	2075	3	5
"25956-17-6"	"DTXSID4024436"	"Allura Red C.I.16035"	"EPA_DSSTox"	"CC1=CC(N=NC2C3C=CC(=CC=3C=CC=2O)S(O)(=O)=O)=C(C=C1S(O)(=O)=O)OC"	"[Na+].[Na+]"	"InChI=1S/C18H16N2O8S2/c1-10-7-14(16(28-2)9-17(10)30(25,26)27)19-20-18-13-5-4-12(29(22,23)24)8-11(13)3-6-15(18)21/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27)"	"UQWIHFJXDRNUDP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"25967-29-7"	"DTXSID20180631"	"Flutoprazepam"	"EPA_DSSTox"	"O=C1CN=C(C2C=C(Cl)C=CC=2N1CC1CC1)C1C=CC=CC=1F"	"?"	"InChI=1S/C19H16ClFN2O/c20-13-7-8-17-15(9-13)19(14-3-1-2-4-16(14)21)22-10-18(24)23(17)11-12-5-6-12/h1-4,7-9,12H,5-6,10-11H2"	"OFVXPDXXVSGEPX-UHFFFAOYSA-N"	FALSE	TRUE	10060	4	5
"2597-03-7"	"DTXSID6042280"	"Phenthoate"	"EPA_DSSTox"	"CCOC(=O)C(SP(=S)(OC)OC)C1C=CC=CC=1"	"?"	"InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3"	"XAMUDJHXFNRLCY-UHFFFAOYSA-N"	FALSE	FALSE	71	2	3
"2597-09-3"	NA	NA	"Public_CrossChecked"	"CCN(CCOC(=O)C(CC=C)(CC=C)C1C=CC=CC=1)CC"	"?"	"InChI=1S/C20H29NO2/c1-5-14-20(15-6-2,18-12-10-9-11-13-18)19(22)23-17-16-21(7-3)8-4/h5-6,9-13H,1-2,7-8,14-17H2,3-4H3"	"NSBJDSZHLUZFHI-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"25991-93-9"	"DTXSID00180654"	"Trichloromethyl methyl perthioxanthate"	"EPA_DSSTox"	"COC(=S)SSC(Cl)(Cl)Cl"	"?"	"InChI=1S/C3H3Cl3OS3/c1-7-2(8)9-10-3(4,5)6/h1H3"	"PPQNAIIXJVODIW-UHFFFAOYSA-N"	FALSE	FALSE	1540	3	4
"26002-80-2"	"DTXSID7032688"	"Phenothrin"	"EPA_DSSTox"	"CC(C)=CC1C(C(=O)OCC2C=CC=C(C=2)OC2C=CC=CC=2)C1(C)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"	FALSE	FALSE	500	2	4
"2601-89-0"	NA	NA	"Public_CrossChecked"	"N#CC(Cl)CCl"	"?"	"InChI=1S/C3H3Cl2N/c4-1-3(5)2-6/h3H,1H2"	"RJJDLPQZNANQDQ-UHFFFAOYSA-N"	TRUE	FALSE	22	1	2
"26016-98-8"	"DTXSID1045873"	"Fosfomycin calcium"	"EPA_DSSTox"	"CC1OC1P(O)(O)=O"	"[Ca+2]"	"InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)"	"YMDXZJFXQJVXBF-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2602-34-8"	"DTXSID90862997"	"Oxirane, 2-[[3-(triethoxysilyl)propoxy]methyl]-"	"EPA_DSSTox"	"CCO[Si](CCCOCC1CO1)(OCC)OCC"	"?"	"InChI=1S/C12H26O5Si/c1-4-15-18(16-5-2,17-6-3)9-7-8-13-10-12-11-14-12/h12H,4-11H2,1-3H3"	"JXUKBNICSRJFAP-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"2602-46-2"	"DTXSID2020185"	"C.I. Direct Blue 6"	"EPA_DSSTox"	"NC1=CC(=CC2C=C(C(N=NC3C=CC(=CC=3)C3C=CC(=CC=3)N=NC3C(=CC4C=C(C=C(N)C=4C=3O)S(O)(=O)=O)S(O)(=O)=O)=C(O)C1=2)S(O)(=O)=O)S(O)(=O)=O"	"[Na+].[Na+].[Na+].[Na+]"	"InChI=1S/C32H24N6O14S4/c33-23-13-21(53(41,42)43)9-17-11-25(55(47,48)49)29(31(39)27(17)23)37-35-19-5-1-15(2-6-19)16-3-7-20(8-4-16)36-38-30-26(56(50,51)52)12-18-10-22(54(44,45)46)14-24(34)28(18)32(30)40/h1-14,39-40H,33-34H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)"	"IZPWYVQTUVBMCO-UHFFFAOYSA-N"	FALSE	TRUE	8760	4	5
"26062-79-3"	NA	NA	"Public_CrossChecked"	"C[N+](C)(CC=C)CC=C"	"?"	"InChI=1S/C8H16N/c1-5-7-9(3,4)8-6-2/h5-6H,1-2,7-8H2,3-4H3/q+1"	"YIOJGTBNHQAVBO-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"26087-47-8"	"DTXSID7058040"	"Iprobenfos"	"EPA_DSSTox"	"CC(C)OP(=O)(OC(C)C)SCC1C=CC=CC=1"	"?"	"InChI=1S/C13H21O3PS/c1-11(2)15-17(14,16-12(3)4)18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3"	"FCOAHACKGGIURQ-UHFFFAOYSA-N"	FALSE	FALSE	550	3	4
"2610-86-8"	"DTXSID5042324"	"Potassium warfarin"	"EPA_DSSTox"	"CC(=O)CC(C1=C(O)C2C=CC=CC=2OC1=O)C1C=CC=CC=1"	"[K+]"	"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/h2-10,15,21H,11H2,1H3"	"PJVWKTKQMONHTI-UHFFFAOYSA-N"	FALSE	FALSE	58	2	3
"2611-82-7"	"DTXSID9021213"	"SX purple"	"EPA_DSSTox"	"OC1=CC=C2C=C(C=C(C2=C1N=NC1=CC=C(C2=CC=CC=C12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O"	"[Na+].[Na+].[Na+]"	"InChI=1S/C20H14N2O10S3/c23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32)"	"JZGWEIPJUAIDHM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"26129-32-8"	NA	NA	"Public_CrossChecked"	"CC(OC1C=CC(=CC=1)OC1C=CC(Cl)=CC=1)C(O)=O"	"?"	"InChI=1S/C15H13ClO4/c1-10(15(17)18)19-12-6-8-14(9-7-12)20-13-4-2-11(16)3-5-13/h2-10H,1H3,(H,17,18)"	"BSFAVVHPEZCASB-UHFFFAOYSA-N"	FALSE	FALSE	1200	3	4
"2615-15-8"	"DTXSID2058629"	"Hexaethylene glycol"	"EPA_DSSTox"	"OCCOCCOCCOCCOCCOCCO"	"?"	"InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2"	"IIRDTKBZINWQAW-UHFFFAOYSA-N"	FALSE	TRUE	32000	4	5
"26155-31-7"	"DTXSID2045575"	"Morantel tartrate"	"EPA_DSSTox"	"CC1C=CSC=1C=CC1=NCCCN1C"	"O[C@@H]([C@@H](O)C(O)=O)C(O)=O"	"InChI=1S/C12H16N2S/c1-10-6-9-15-11(10)4-5-12-13-7-3-8-14(12)2/h4-6,9H,3,7-8H2,1-2H3"	"NVEPPWDVLBMNMB-UHFFFAOYSA-N"	FALSE	FALSE	926	3	4
"2617-78-9"	"DTXSID40180794"	"Formamide, N-(4-bromophenyl)- (9CI)"	"EPA_DSSTox"	"O=CNC1C=CC(Br)=CC=1"	"?"	"InChI=1S/C7H6BrNO/c8-6-1-3-7(4-2-6)9-5-10/h1-5H,(H,9,10)"	"PYHXNHQAVPSOKT-UHFFFAOYSA-N"	FALSE	FALSE	1120	3	4
"2617-79-0"	"DTXSID00180795"	"4-Chloroformanilide"	"EPA_DSSTox"	"O=CNC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C7H6ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-5H,(H,9,10)"	"LMLFHXMNNHGRRO-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"26171-23-3"	"DTXSID2043951"	"Tolmetin"	"EPA_DSSTox"	"CC1C=CC(=CC=1)C(=O)C1=CC=C(CC(O)=O)N1C"	"?"	"InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)"	"UPSPUYADGBWSHF-UHFFFAOYSA-N"	FALSE	FALSE	293	2	3
"26171-78-8"	"DTXSID40885338"	"Benzeneacetic acid, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester"	"EPA_DSSTox"	"CC(C)C1CCC(C)CC1OC(=O)CC1=CC=CC=C1"	"?"	"InChI=1S/C18H26O2/c1-13(2)16-10-9-14(3)11-17(16)20-18(19)12-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3"	"GIFKSWTZIAVRIG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"26184-62-3"	NA	NA	"Public_CrossChecked"	"CCCC(C)O"	"?"	"InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3"	"JYVLIDXNZAXMDK-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"262-12-4"	"DTXSID8020410"	"Dibenzo-p-dioxin"	"EPA_DSSTox"	"C1=CC=CC2OC3C=CC=CC=3OC=21"	"?"	"InChI=1S/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H"	"NFBOHOGPQUYFRF-UHFFFAOYSA-N"	FALSE	FALSE	1220	3	4
"2621-62-7"	"DTXSID9062560"	"2,5-Dichloroacetanilide"	"EPA_DSSTox"	"CC(=O)NC1C=C(Cl)C=CC=1Cl"	"?"	"InChI=1S/C8H7Cl2NO/c1-5(12)11-8-4-6(9)2-3-7(8)10/h2-4H,1H3,(H,11,12)"	"ICZFWTSENFTULW-UHFFFAOYSA-N"	FALSE	TRUE	4100	3	5
"26225-79-6"	"DTXSID8034580"	"Ethofumesate"	"EPA_DSSTox"	"CCOC1OC2C=CC(=CC=2C1(C)C)OS(C)(=O)=O"	"?"	"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"	FALSE	FALSE	1130	3	4
"2623-23-6"	"DTXSID7051472"	"L-Menthyl acetate"	"EPA_DSSTox"	"CC(C)C1CCC(C)CC1OC(C)=O"	"?"	"InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3"	"XHXUANMFYXWVNG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2624-43-3"	"DTXSID4022866"	"Cyclofenil"	"EPA_DSSTox"	"CC(=O)OC1C=CC(=CC=1)C(C1C=CC(=CC=1)OC(C)=O)=C1CCCCC1"	"?"	"InChI=1S/C23H24O4/c1-16(24)26-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)27-17(2)25/h8-15H,3-7H2,1-2H3"	"GVOUFPWUYJWQSK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2624-44-4"	"DTXSID4045559"	"Ethamsylate"	"EPA_DSSTox"	"OC1=CC(=C(O)C=C1)S(O)(=O)=O"	"CCNCC"	"InChI=1S/C6H6O5S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3,7-8H,(H,9,10,11)"	"IKQCSJBQLWJEPU-UHFFFAOYSA-N"	FALSE	TRUE	7500	4	5
"26248-87-3"	NA	NA	"Public_CrossChecked"	"O=P(OCCCCl)(OCCCCl)OCCCCl"	"?"	"InChI=1S/C9H18Cl3O4P/c10-4-1-7-14-17(13,15-8-2-5-11)16-9-3-6-12/h1-9H2"	"WOURXYYHORRGQO-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"26259-45-0"	"DTXSID8037594"	"Secbumeton"	"EPA_DSSTox"	"COC1N=C(NCC)N=C(NC(C)CC)N=1"	"?"	"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"	FALSE	FALSE	1000	3	4
"26266-57-9"	"DTXSID6029335"	"Sorbitan monohexadecanoate"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O"	"?"	"InChI=1S/C22H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)27-17-19(24)22-21(26)18(23)16-28-22/h18-19,21-24,26H,2-17H2,1H3"	"IYFATESGLOUGBX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"26266-58-0"	"DTXSID6027892"	"Sorbitan, tri-(9Z)-9-octadecenoate"	"EPA_DSSTox"	"CCCCCCCCC=CCCCCCCCC(=O)OC1C(OCC1OC(=O)CCCCCCCC=CCCCCCCCC)C(O)COC(=O)CCCCCCCC=CCCCCCCCC"	"?"	"InChI=1S/C60H108O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)65-52-54(61)59-60(68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(53-66-59)67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54-55,59-61H,4-24,31-53H2,1-3H3"	"ZBNRGEMZNWHCGA-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"26266-77-3"	"DTXSID6051936"	"Dihydroabietyl alcohol"	"EPA_DSSTox"	"CC(C)C1CCC2C(CCC3C(C)(CO)CCCC32C)=C1"	"?"	"InChI=1S/C20H34O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12,14-15,17-18,21H,5-11,13H2,1-4H3"	"FLMIYUXOBAUKJM-UHFFFAOYSA-N"	FALSE	TRUE	70000	4	5
"26305-03-3"	"DTXSID7046095"	"Pepstatin"	"EPA_DSSTox"	"CC(NC(=O)CC(O)C(CC(C)C)NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)C(=O)NC(CC(C)C)C(O)CC(O)=O"	"?"	"InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)"	"FAXGPCHRFPCXOO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"2631-26-7"	"DTXSID50180927"	"Carbamic acid, N-methyl-, 3-diethylaminophenyl ester"	"EPA_DSSTox"	"CNC(=O)OC1=CC(=CC=C1)N(CC)CC"	"?"	"InChI=1S/C12H18N2O2/c1-4-14(5-2)10-7-6-8-11(9-10)16-12(15)13-3/h6-9H,4-5H2,1-3H3,(H,13,15)"	"CZZWOJXFCKBYNE-UHFFFAOYSA-N"	FALSE	FALSE	91	2	3
"2631-40-5"	"DTXSID6042072"	"Isoprocarb"	"EPA_DSSTox"	"CNC(=O)OC1C=CC=CC=1C(C)C"	"?"	"InChI=1S/C11H15NO2/c1-8(2)9-6-4-5-7-10(9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)"	"QBSJMKIUCUGGNG-UHFFFAOYSA-N"	FALSE	FALSE	450	2	4
"26322-14-5"	"DTXSID1051937"	"Dihexadecyl peroxodicarbonate"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCOC(=O)OOC(=O)OCCCCCCCCCCCCCCCC"	"?"	"InChI=1S/C34H66O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-33(35)39-40-34(36)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3"	"QWVBGCWRHHXMRM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"26328-00-7"	NA	NA	"Public_CrossChecked"	"COC1C=C(C=C(OC)C=1OC)C=CC(=O)N1CCN(CC(=O)NC(C)C)CC1"	"C(=C/C(=O)O)/C(=O)O"	"InChI=1S/C21H31N3O5/c1-15(2)22-19(25)14-23-8-10-24(11-9-23)20(26)7-6-16-12-17(27-3)21(29-5)18(13-16)28-4/h6-7,12-13,15H,8-11,14H2,1-5H3,(H,22,25)"	"SGDDXBVRZYARLT-UHFFFAOYSA-N"	FALSE	FALSE	1295	3	4
"26328-04-1"	"DTXSID5046859"	"Cinepazide maleate"	"EPA_DSSTox"	"COC1C=C(C=C(OC)C=1OC)C=CC(=O)N1CCN(CC(=O)N2CCCC2)CC1"	"C(/C=C\C(=O)O)(=O)O"	"InChI=1S/C22H31N3O5/c1-28-18-14-17(15-19(29-2)22(18)30-3)6-7-20(26)25-12-10-23(11-13-25)16-21(27)24-8-4-5-9-24/h6-7,14-15H,4-5,8-13,16H2,1-3H3"	"RCUDFXMNPQNBDU-UHFFFAOYSA-N"	FALSE	FALSE	1310	3	4
"2633-54-7"	"DTXSID2058041"	"Trichlormetaphos-3"	"EPA_DSSTox"	"COP(=S)(OCC)OC1=CC(Cl)=C(Cl)C=C1Cl"	"?"	"InChI=1S/C9H10Cl3O3PS/c1-3-14-16(17,13-2)15-9-5-7(11)6(10)4-8(9)12/h4-5H,3H2,1-2H3"	"HBKPGGUHRZPDIE-UHFFFAOYSA-N"	FALSE	FALSE	314	2	4
"2634-33-5"	"DTXSID5032523"	"1,2-Benzisothiazolin-3-one"	"EPA_DSSTox"	"O=C1NSC2C=CC=CC=21"	"?"	"InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)"	"DMSMPAJRVJJAGA-UHFFFAOYSA-N"	FALSE	FALSE	1020	3	4
"2635-10-1"	"DTXSID8042139"	"Methiocarb sulfoxide"	"EPA_DSSTox"	"CC1C=C(C=C(C)C=1S(C)=O)OC(=O)NC"	"?"	"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"	TRUE	FALSE	42	1	2
"2636-25-1"	"DTXSID10180963"	"Phosphinothioic acid, dimethyl-, O-(3-methyl-4-(methylthio)phenyl) ester"	"EPA_DSSTox"	"CC1C=C(C=CC=1SC)OP(C)(C)=S"	"?"	"InChI=1S/C10H15OPS2/c1-8-7-9(11-12(2,3)13)5-6-10(8)14-4/h5-7H,1-4H3"	"IMWZFUZAMUZWAA-UHFFFAOYSA-N"	FALSE	FALSE	175	2	3
"2639-63-6"	"DTXSID8047559"	"Hexyl butyrate"	"EPA_DSSTox"	"CCCC(=O)OCCCCCC"	"?"	"InChI=1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3"	"XAPCMTMQBXLDBB-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"26399-36-0"	"DTXSID2044559"	"Profluralin"	"EPA_DSSTox"	"CCCN(CC1CC1)C1C(=CC(=CC=1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O"	"?"	"InChI=1S/C14H16F3N3O4/c1-2-5-18(8-9-3-4-9)13-11(19(21)22)6-10(14(15,16)17)7-12(13)20(23)24/h6-7,9H,2-5,8H2,1H3"	"ITVQAKZNYJEWKS-UHFFFAOYSA-N"	FALSE	FALSE	1808	3	4
"26401-35-4"	"DTXSID6067206"	"Diisotridecyl adipate"	"EPA_DSSTox"	"CC(C)CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCC(C)C"	"?"	"InChI=1S/C32H62O4/c1-29(2)23-17-13-9-5-7-11-15-21-27-35-31(33)25-19-20-26-32(34)36-28-22-16-12-8-6-10-14-18-24-30(3)4/h29-30H,5-28H2,1-4H3"	"WPUKZOKYKHYASK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"26419-73-8"	"DTXSID3042475"	"Tirpate"	"EPA_DSSTox"	"CC1CSC(C)(C=NOC(=O)NC)S1"	"?"	"InChI=1S/C8H14N2O2S2/c1-6-4-13-8(2,14-6)5-10-12-7(11)9-3/h5-6H,4H2,1-3H3,(H,9,11)"	"GHFMMRFMDHDOBP-UHFFFAOYSA-N"	TRUE	FALSE	1	1	1
"26445-05-6"	NA	NA	"Public_CrossChecked"	"NC1C=CC=CN=1"	"?"	"InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)"	"ICSNLGPSRYBMBD-UHFFFAOYSA-N"	FALSE	FALSE	1050	3	4
"26447-14-3"	"DTXSID6051938"	"2-[(Methylphenoxy)methyl]oxirane"	"EPA_DSSTox"	"CC1=CC=C(C=C1)OCC1CC1"	"?"	"InChI=1S/C11H14O/c1-9-2-6-11(7-3-9)12-8-10-4-5-10/h2-3,6-7,10H,4-5,8H2,1H3"	"CBBPRWDRQZGFHQ-UHFFFAOYSA-N"	FALSE	TRUE	5140	4	5
"26447-85-8"	"DTXSID10465166"	"Methyl 2,2-dithienylglycolate"	"EPA_DSSTox"	"COC(=O)C(O)(C1=CC=CS1)C1=CC=CS1"	"?"	"InChI=1S/C11H10O3S2/c1-14-10(12)11(13,8-4-2-6-15-8)9-5-3-7-16-9/h2-7,13H,1H3"	"SYHWYWHVEQQDMO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"26485-81-4"	"DTXSID90181079"	"3,5-Pyrazolidinedione, 1,2-diphenyl-4-isopropylidene-"	"EPA_DSSTox"	"CC(C)=C1C(=O)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O"	"?"	"InChI=1S/C18H16N2O2/c1-13(2)16-17(21)19(14-9-5-3-6-10-14)20(18(16)22)15-11-7-4-8-12-15/h3-12H,1-2H3"	"PDPQOBMGUDTPIR-UHFFFAOYSA-N"	FALSE	FALSE	1285	3	4
"26485-82-5"	"DTXSID00181080"	"3,5-Pyrazolidinedione, 4-sec-butylidene-1,2-diphenyl-"	"EPA_DSSTox"	"CC(CC)=C1C(=O)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O"	"?"	"InChI=1S/C19H18N2O2/c1-3-14(2)17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3"	"DNDYNVXYUBUZFM-UHFFFAOYSA-N"	FALSE	TRUE	2020	3	5
"26501-80-4"	NA	NA	"Public_CrossChecked"	"O=C1C(Cl)C2(Cl)C3C(COC3Cl)C1(Cl)C2(Cl)Cl"	"?"	"InChI=1S/C9H6Cl6O2/c10-4-5(16)7(12)2-1-17-6(11)3(2)8(4,13)9(7,14)15/h2-4,6H,1H2"	"CRAAWZGPLRCSTQ-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"26523-78-4"	"DTXSID8027903"	"Phenol, nonyl-, phosphite (3:1)"	"EPA_DSSTox"	"CCCCCCCCCC1C=CC(=CC=1)OP(OC1C=CC(CCCCCCCCC)=CC=1)OC1C=CC(CCCCCCCCC)=CC=1"	"?"	"InChI=1S/C45H69O3P/c1-4-7-10-13-16-19-22-25-40-28-34-43(35-29-40)46-49(47-44-36-30-41(31-37-44)26-23-20-17-14-11-8-5-2)48-45-38-32-42(33-39-45)27-24-21-18-15-12-9-6-3/h28-39H,4-27H2,1-3H3"	"MGMXGCZJYUCMGY-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"2653-39-6"	NA	NA	"Public_CrossChecked"	"C=CC1=CC=C(C=C1)OCC1CO1"	"?"	"InChI=1S/C11H12O2/c1-2-9-3-5-10(6-4-9)12-7-11-8-13-11/h2-6,11H,1,7-8H2"	"AAUXVPAKDMCMMN-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"26530-20-1"	"DTXSID1025805"	"Octhilinone"	"EPA_DSSTox"	"CCCCCCCCN1SC=CC1=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"	FALSE	FALSE	550	3	4
"2654-58-2"	"DTXSID0051940"	"4,4-Dimethyl-1-phenyl-3-pyrazolidone"	"EPA_DSSTox"	"CC1(C)CN(NC1=O)C1C=CC=CC=1"	"?"	"InChI=1S/C11H14N2O/c1-11(2)8-13(12-10(11)14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,14)"	"SJSJAWHHGDPBOC-UHFFFAOYSA-N"	TRUE	FALSE	30	1	2
"26544-20-7"	"DTXSID0034306"	"MCPA-isooctyl"	"EPA_DSSTox"	"CC1C=C(Cl)C=CC=1OCC(=O)OCCCCCC(C)C"	"?"	"InChI=1S/C17H25ClO3/c1-13(2)7-5-4-6-10-20-17(19)12-21-16-9-8-15(18)11-14(16)3/h8-9,11,13H,4-7,10,12H2,1-3H3"	"PDIYKJRLQHHRAG-UHFFFAOYSA-N"	FALSE	FALSE	700	3	4
"26544-23-0"	"DTXSID3027904"	"Phosphorous acid, isodecyl diphenyl ester"	"EPA_DSSTox"	"CC(C)CCCCCCCOP(OC1C=CC=CC=1)OC1C=CC=CC=1"	"?"	"InChI=1S/C22H31O3P/c1-20(2)14-8-4-3-5-13-19-23-26(24-21-15-9-6-10-16-21)25-22-17-11-7-12-18-22/h6-7,9-12,15-18,20H,3-5,8,13-14,19H2,1-2H3"	"ADRNSOYXKABLGT-UHFFFAOYSA-N"	FALSE	TRUE	3840	3	5
"26544-38-7"	"DTXSID8027905"	"Dihydro-3-(tetrapropenyl)- 2,5-furandione"	"EPA_DSSTox"	"CC(=CC(C)CC(C)CC(C)C)C1CC(=O)OC1=O"	"?"	"InChI=1S/C16H26O3/c1-10(2)6-11(3)7-12(4)8-13(5)14-9-15(17)19-16(14)18/h8,10-12,14H,6-7,9H2,1-5H3"	"WBRBLKRDTHYRRV-UHFFFAOYSA-N"	FALSE	TRUE	2550	3	5
"2655-14-3"	"DTXSID7058042"	"XMC"	"EPA_DSSTox"	"CC1=CC(=CC(C)=C1)OC(=O)NC"	"?"	"InChI=1S/C10H13NO2/c1-7-4-8(2)6-9(5-7)13-10(12)11-3/h4-6H,1-3H3,(H,11,12)"	"CVQODEWAPZVVBU-UHFFFAOYSA-N"	FALSE	FALSE	245	2	3
"2655-15-4"	"DTXSID9041318"	"2,3,5-Trimethylphenyl methylcarbamate"	"EPA_DSSTox"	"CC1=CC(C)=CC(OC(=O)NC)=C1C"	"?"	"InChI=1S/C11H15NO2/c1-7-5-8(2)9(3)10(6-7)14-11(13)12-4/h5-6H,1-4H3,(H,12,13)"	"NYOKZHDTNBDPOB-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"2655-19-8"	"DTXSID0041690"	"Butacarb"	"EPA_DSSTox"	"CNC(=O)OC1C=C(C=C(C=1)C(C)(C)C)C(C)(C)C"	"?"	"InChI=1S/C16H25NO2/c1-15(2,3)11-8-12(16(4,5)6)10-13(9-11)19-14(18)17-7/h8-10H,1-7H3,(H,17,18)"	"SLZWBCGZQRRUNG-UHFFFAOYSA-N"	FALSE	FALSE	1800	3	4
"26567-10-2"	"DTXSID70460556"	"[1,1'-Biphenyl]-2,2'-diol, 3,3',5,5'-tetramethyl-"	"EPA_DSSTox"	"CC1=CC(C)=C(O)C(=C1)C1=CC(C)=CC(C)=C1O"	"?"	"InChI=1S/C16H18O2/c1-9-5-11(3)15(17)13(7-9)14-8-10(2)6-12(4)16(14)18/h5-8,17-18H,1-4H3"	"XBDTZNMRTRPDKH-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"26615-21-4"	"DTXSID9023756"	"Zotepine"	"EPA_DSSTox"	"CN(C)CCOC1=CC2C=CC=CC=2SC2=CC=C(Cl)C=C21"	"?"	"InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3"	"HDOZVRUNCMBHFH-UHFFFAOYSA-N"	FALSE	FALSE	306	2	4
"26637-71-8"	"DTXSID10181177"	"Bicycloheptane, dibromo-"	"EPA_DSSTox"	"BrC1(Br)C2CCC1CC2"	"?"	"InChI=1S/C7H10Br2/c8-7(9)5-1-2-6(7)4-3-5/h5-6H,1-4H2"	"WQLOPWOVROOXQQ-UHFFFAOYSA-N"	FALSE	FALSE	210	2	3
"2664-63-3"	"DTXSID9047960"	"4,4'-Thiodiphenol"	"EPA_DSSTox"	"OC1C=CC(=CC=1)SC1C=CC(O)=CC=1"	"?"	"InChI=1S/C12H10O2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H"	"VWGKEVWFBOUAND-UHFFFAOYSA-N"	FALSE	TRUE	3362	3	5
"26644-46-2"	"DTXSID5032654"	"Triforine"	"EPA_DSSTox"	"O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C10H14Cl6N4O2/c11-9(12,13)7(17-5-21)19-1-2-20(4-3-19)8(18-6-22)10(14,15)16/h5-8H,1-4H2,(H,17,21)(H,18,22)"	"RROQIUMZODEXOR-UHFFFAOYSA-N"	FALSE	TRUE	6000	4	5
"2665-30-7"	"DTXSID7042225"	"O-(p-Nitrophenyl) O-phenyl methylphosphonothioate"	"EPA_DSSTox"	"CP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)OC1C=CC=CC=1"	"?"	"InChI=1S/C13H12NO4PS/c1-19(20,17-12-5-3-2-4-6-12)18-13-9-7-11(8-10-13)14(15)16/h2-10H,1H3"	"VCLYJTVFGQHHHD-UHFFFAOYSA-N"	TRUE	FALSE	8	1	2
"26658-19-5"	"DTXSID8047054"	"Sorbitan tristearate"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCCCC)C1OCC(O)C1OC(=O)CCCCCCCCCCCCCCCCC"	"?"	"InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)65-53-55(67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60-59(54(61)52-66-60)68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h54-55,59-61H,4-53H2,1-3H3"	"IJCWFDPJFXGQBN-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"2666-14-0"	"DTXSID8029658"	"Phosphonic acid, (1-hydroxyethylidene)bis-, trisodium salt"	"EPA_DSSTox"	"CC(O)(P(O)(O)=O)P(O)(O)=O"	"[Na+].[Na+].[Na+]"	"InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)"	"DBVJJBKOTRCVKF-UHFFFAOYSA-N"	FALSE	FALSE	1280	3	4
"26662-09-9"	NA	NA	"Public_CrossChecked"	"Cc1cc(cc(=O)o1)OP(=O)(OCC)OCC"	"?"	"InChI=1S/C10H15O6P/c1-4-13-17(12,14-5-2)16-9-6-8(3)15-10(11)7-9/h6-7H,4-5H2,1-3H3"	"GJVLNXXXEHRDFJ-UHFFFAOYSA-N"	TRUE	FALSE	3.34	1	1
"2667-40-5"	"DTXSID10181192"	"Phosphoric acid, 2,2-bis(ethylthio)ethenyl diethyl ester (9CI)"	"EPA_DSSTox"	"CCSC(=COP(=O)(OCC)OCC)SCC"	"?"	"InChI=1S/C10H21O4PS2/c1-5-12-15(11,13-6-2)14-9-10(16-7-3)17-8-4/h9H,5-8H2,1-4H3"	"OGXDOCNBMQFRLU-UHFFFAOYSA-N"	TRUE	FALSE	15	1	2
"2667-41-6"	"DTXSID70181193"	"GC 3582"	"EPA_DSSTox"	"CCOP(=O)(OC(C1C=C(Cl)C=C(Cl)C=1)=C(Cl)Cl)OCC"	"?"	"InChI=1S/C12H13Cl4O4P/c1-3-18-21(17,19-4-2)20-11(12(15)16)8-5-9(13)7-10(14)6-8/h5-7H,3-4H2,1-2H3"	"YMDBQHQOQJAEAD-UHFFFAOYSA-N"	TRUE	FALSE	20	1	2
"2667-49-4"	NA	NA	"Public_CrossChecked"	"COP(C)(=S)OC1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C8H9Cl2O2PS/c1-11-13(2,14)12-8-4-3-6(9)5-7(8)10/h3-5H,1-2H3"	"OOSBSVDOHPTTCT-UHFFFAOYSA-N"	FALSE	FALSE	159	2	3
"2667-52-9"	NA	NA	"Public_CrossChecked"	"CC(C)SCSP(=S)(OC(C)C)OC(C)C"	"?"	"InChI=1S/C10H23O2PS3/c1-8(2)11-13(14,12-9(3)4)16-7-15-10(5)6/h8-10H,7H2,1-6H3"	"CWEJGTFQSUAXKF-UHFFFAOYSA-N"	TRUE	FALSE	5	1	2
"26675-46-7"	"DTXSID3020752"	"Isoflurane"	"EPA_DSSTox"	"FC(F)OC(Cl)C(F)(F)F"	"?"	"InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H"	"PIWKPBJCKXDKJR-UHFFFAOYSA-N"	FALSE	TRUE	4770	3	5
"2668-92-0"	"DTXSID7042227"	"O,O-Diethyl O-naphthaloximide phosphorothioate"	"EPA_DSSTox"	"CCOP(=S)(ON1C(=O)C2C=CC=C3C=CC=C(C3=2)C1=O)OCC"	"?"	"InChI=1S/C16H16NO5PS/c1-3-20-23(24,21-4-2)22-17-15(18)12-9-5-7-11-8-6-10-13(14(11)12)16(17)19/h5-10H,3-4H2,1-2H3"	"OQMPNMGXNJHPJP-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"26680-54-6"	"DTXSID7027910"	"2,5-Furandione, dihydro-3-(octenyl)-"	"EPA_DSSTox"	"CCCCCCC=CC1CC(=O)OC1=O"	"?"	"InChI=1S/C12H18O3/c1-2-3-4-5-6-7-8-10-9-11(13)15-12(10)14/h7-8,10H,2-6,9H2,1H3"	"FLISWPFVWWWNNP-UHFFFAOYSA-N"	FALSE	FALSE	1098	3	4
"26685-57-4"	NA	NA	"Public_CrossChecked"	"CCCCCC(C)C(C)C1=CC2OC(C)(C)C3CCN(CC#C)CC=3C=2C(O)=C1"	"?"	"InChI=1S/C26H37NO2/c1-7-9-10-11-18(3)19(4)20-15-23(28)25-21-17-27(13-8-2)14-12-22(21)26(5,6)29-24(25)16-20/h2,15-16,18-19,28H,7,9-14,17H2,1,3-6H3"	"PNEYWTKVWJBOMD-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"26735-66-0"	NA	NA	"Public_CrossChecked"	"CC1CC(C(C(=O)O1)C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C18H18O2/c1-13-12-16(14-8-4-2-5-9-14)17(18(19)20-13)15-10-6-3-7-11-15/h2-11,13,16-17H,12H2,1H3"	"OKRVHEHNCFHKNU-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"26741-53-7"	"DTXSID2027911"	"Bis(2,4-di-tert-butylphenyl) pentaerythritol diphosphite"	"EPA_DSSTox"	"CC(C)(C)C1C=C(C=CC=1OP1OCC2(COP(OC3C=CC(=CC=3C(C)(C)C)C(C)(C)C)OC2)CO1)C(C)(C)C"	"?"	"InChI=1S/C33H50O6P2/c1-29(2,3)23-13-15-27(25(17-23)31(7,8)9)38-40-34-19-33(20-35-40)21-36-41(37-22-33)39-28-16-14-24(30(4,5)6)18-26(28)32(10,11)12/h13-18H,19-22H2,1-12H3"	"AIBRSVLEQRWAEG-UHFFFAOYSA-N"	FALSE	TRUE	5580	4	5
"26748-41-4"	"DTXSID7027912"	"Neodecaneperoxoic acid, 1,1-dimethylethyl ester"	"EPA_DSSTox"	"CC(C)(C)OOC(=O)C(C)(CCC(C)C)CC"	"?"	"InChI=1S/C14H28O3/c1-8-14(7,10-9-11(2)3)12(15)16-17-13(4,5)6/h11H,8-10H2,1-7H3"	"UJPBHKAGZFOZKS-UHFFFAOYSA-N"	FALSE	TRUE	8082	4	5
"2675-77-6"	"DTXSID2024793"	"Chloroneb"	"EPA_DSSTox"	"COC1C=C(Cl)C(=CC=1Cl)OC"	"?"	"InChI=1S/C8H8Cl2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3"	"PFIADAMVCJPXSF-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"26750-50-5"	"DTXSID0051942"	"Bis(vinylsulphonylmethyl) ether"	"EPA_DSSTox"	"C=CS(=O)(=O)COCS(=O)(=O)C=C"	"?"	"InChI=1S/C6H10O5S2/c1-3-12(7,8)5-11-6-13(9,10)4-2/h3-4H,1-2,5-6H2"	"KAMCBFNNGGVPPW-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"26762-93-6"	"DTXSID5051943"	"Diisopropylbenzene hydroperoxide"	"EPA_DSSTox"	"CC(C)C1C=CC(=CC=1)C(C)(C)OO"	"?"	"InChI=1S/C12H18O2/c1-9(2)10-5-7-11(8-6-10)12(3,4)14-13/h5-9,13H,1-4H3"	"HWCBEGMIBCYKST-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"2678-29-7"	"DTXSID90181291"	"Acetic acid, thio-, S,S'-hexamethylene ester"	"EPA_DSSTox"	"CC(=O)SCCCCCCSC(C)=O"	"?"	"InChI=1S/C10H18O2S2/c1-9(11)13-7-5-3-4-6-8-14-10(2)12/h3-8H2,1-2H3"	"CFIOOCBLOLNSED-UHFFFAOYSA-N"	FALSE	FALSE	504	3	4
"26786-32-3"	"DTXSID9047833"	"Lofepramine hydrochloride"	"EPA_DSSTox"	"CN(CCCN1C2=CC=CC=C2CCC2C=CC=CC1=2)CC(=O)C1C=CC(Cl)=CC=1"	"Cl"	"InChI=1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3"	"SAPNXPWPAUFAJU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"26787-78-0"	"DTXSID3037044"	"Amoxicillin"	"EPA_DSSTox"	"CC1(C)SC2C(NC(=O)C(N)C3C=CC(O)=CC=3)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"	FALSE	TRUE	NA	4	5
"2680-03-7"	"DTXSID0051944"	"N,N-Dimethylacrylamide"	"EPA_DSSTox"	"CN(C)C(=O)C=C"	"?"	"InChI=1S/C5H9NO/c1-4-5(7)6(2)3/h4H,1H2,2-3H3"	"YLGYACDQVQQZSW-UHFFFAOYSA-N"	FALSE	FALSE	316	2	4
"26818-53-1"	NA	NA	"Public_CrossChecked"	"CC(CC)NC(=S)C(=S)NC(C)CC"	"?"	"InChI=1S/C10H20N2S2/c1-5-7(3)11-9(13)10(14)12-8(4)6-2/h7-8H,5-6H2,1-4H3,(H,11,13)(H,12,14)"	"SWSRADGPGOTAJT-UHFFFAOYSA-N"	TRUE	FALSE	6	1	2
"2682-20-4"	"DTXSID2034259"	"2-Methyl-3(2H)-isothiazolone"	"EPA_DSSTox"	"CN1SC=CC1=O"	"?"	"InChI=1S/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3"	"BEGLCMHJXHIJLR-UHFFFAOYSA-N"	FALSE	FALSE	105	2	3
"26844-12-2"	"DTXSID7048370"	"Indoramin"	"EPA_DSSTox"	"O=C(NC1CCN(CCC2=CNC3C=CC=CC2=3)CC1)C1C=CC=CC=1"	"?"	"InChI=1S/C22H25N3O/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21/h1-9,16,19,23H,10-15H2,(H,24,26)"	"JXZZEXZZKAWDSP-UHFFFAOYSA-N"	FALSE	FALSE	1800	3	4
"26846-51-5"	"DTXSID1067257"	"1(4H)-Naphthalenone, 8-amino-2,6-dibromo-5-hydroxy-4-imino-"	"EPA_DSSTox"	"[H]N=C1C=C(Br)C(=O)C2C(N)=CC(Br)=C(O)C1=2"	"?"	"InChI=1S/C10H6Br2N2O2/c11-3-1-5(13)7-8(9(3)15)6(14)2-4(12)10(7)16/h1-2,13,16H,14H2"	"VSUFHHMQOAFXIU-UHFFFAOYSA-N"	FALSE	TRUE	2400	3	5
"26859-72-3"	NA	NA	"Public_CrossChecked"	"OC1(C2C=CC=CC=2C2=NCCN12)C1C=CC(F)=CC=1"	"?"	"InChI=1S/C16H13FN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2"	"FVOUPQLWOHOBOF-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"2686-99-9"	"DTXSID1040322"	"3,4,5-Trimethylphenyl methylcarbamate"	"EPA_DSSTox"	"CNC(=O)OC1C=C(C)C(C)=C(C)C=1"	"?"	"InChI=1S/C11H15NO2/c1-7-5-10(14-11(13)12-4)6-8(2)9(7)3/h5-6H,1-4H3,(H,12,13)"	"AUQAUAIUNJIIEP-UHFFFAOYSA-N"	FALSE	FALSE	178	2	3
"26864-56-2"	"DTXSID5049021"	"Penfluridol"	"EPA_DSSTox"	"OC1(CCN(CCCC(C2C=CC(F)=CC=2)C2C=CC(F)=CC=2)CC1)C1C=C(C(Cl)=CC=1)C(F)(F)F"	"?"	"InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2"	"MDLAAYDRRZXJIF-UHFFFAOYSA-N"	FALSE	FALSE	160	2	3
"2687-91-4"	"DTXSID3044413"	"1-Ethyl-2-pyrrolidinone"	"EPA_DSSTox"	"CCN1CCCC1=O"	"?"	"InChI=1S/C6H11NO/c1-2-7-5-3-4-6(7)8/h2-5H2,1H3"	"ZFPGARUNNKGOBB-UHFFFAOYSA-N"	FALSE	FALSE	1350	3	4
"2687-94-7"	"DTXSID4036435"	"N-Octyl-2-pyrrolidone"	"EPA_DSSTox"	"CCCCCCCCN1CCCC1=O"	"?"	"InChI=1S/C12H23NO/c1-2-3-4-5-6-7-10-13-11-8-9-12(13)14/h2-11H2,1H3"	"WPPOGHDFAVQKLN-UHFFFAOYSA-N"	FALSE	TRUE	2050	3	5
"26896-48-0"	"DTXSID9044900"	"Tricyclodecanedimethanol"	"EPA_DSSTox"	"OCC1CC2CC1C1CCC(CO)C21"	"?"	"InChI=1S/C12H20O2/c13-5-7-1-2-10-11-4-8(12(7)10)3-9(11)6-14/h7-14H,1-6H2"	"OTLDLKLSNZMTTA-UHFFFAOYSA-N"	FALSE	TRUE	2250	3	5
"26907-37-9"	"DTXSID90181413"	"Bis-A-tda"	"EPA_DSSTox"	"C(NC1=NN=CS1)NC1=NN=CS1"	"?"	"InChI=1S/C5H6N6S2/c1(6-4-10-8-2-12-4)7-5-11-9-3-13-5/h2-3H,1H2,(H,6,10)(H,7,11)"	"WMAHFAYLCMTHCB-UHFFFAOYSA-N"	FALSE	FALSE	260	2	3
"2691-41-0"	"DTXSID3024237"	"Cyclotetramethylenetetranitramine"	"EPA_DSSTox"	"[O-][N+](=O)N1CN(CN(CN(C1)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C4H8N8O8/c13-9(14)5-1-6(10(15)16)3-8(12(19)20)4-7(2-5)11(17)18/h1-4H2"	"UZGLIIJVICEWHF-UHFFFAOYSA-N"	FALSE	TRUE	5500	4	5
"26921-17-5"	"DTXSID3047504"	"Timolol maleate salt"	"EPA_DSSTox"	"CC(C)(C)NCC(O)COC1=NSN=C1N1CCOCC1"	"C(/C=C\C(=O)O)(=O)O"	"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"	FALSE	FALSE	1028	3	4
"2694-54-4"	"DTXSID4044901"	"Triallyl trimellitate"	"EPA_DSSTox"	"C=CCOC(=O)C1=CC=C(C=C1C(=O)OCC=C)C(=O)OCC=C"	"?"	"InChI=1S/C18H18O6/c1-4-9-22-16(19)13-7-8-14(17(20)23-10-5-2)15(12-13)18(21)24-11-6-3/h4-8,12H,1-3,9-11H2"	"GRPURDFRFHUDSP-UHFFFAOYSA-N"	FALSE	TRUE	2400	3	5
"26944-48-9"	NA	NA	"Public_CrossChecked"	"CC1(C)C2CCC1(C)C(O)C2NC(=O)NS(=O)(=O)C1=CC=C(C)C=C1"	"?"	"InChI=1S/C18H26N2O4S/c1-11-5-7-12(8-6-11)25(23,24)20-16(22)19-14-13-9-10-18(4,15(14)21)17(13,2)3/h5-8,13-15,21H,9-10H2,1-4H3,(H2,19,20,22)"	"RMTYNAPTNBJHQI-UHFFFAOYSA-N"	FALSE	TRUE	18000	4	5
"26957-73-3"	"DTXSID5073456"	"1,3,5-Triazine-2(1H)-thione, tetrahydro-5-(2-hydroxyethyl)-"	"EPA_DSSTox"	"OCCN1CNC(=S)NC1"	"?"	"InChI=1S/C5H11N3OS/c9-2-1-8-3-6-5(10)7-4-8/h9H,1-4H2,(H2,6,7,10)"	"NATVVRFRJHJKDJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"2698-41-1"	"DTXSID9020297"	"(2-Chlorobenzylidene)propanedinitrile"	"EPA_DSSTox"	"N#CC(=CC1=CC=CC=C1Cl)C#N"	"?"	"InChI=1S/C10H5ClN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5H"	"JJNZXLAFIPKXIG-UHFFFAOYSA-N"	FALSE	FALSE	178	2	3
"2700-89-2"	NA	NA	"Public_CrossChecked"	"CS(=O)(=O)C(Cl)=CCl"	"?"	"InChI=1S/C3H4Cl2O2S/c1-8(6,7)3(5)2-4/h2H,1H3"	"ZWKSNOSGZRTFMP-UHFFFAOYSA-N"	FALSE	FALSE	61	2	3
"2701-86-2"	"DTXSID8041402"	"2-Chloro-1-(2,5-dichlorophenyl)vinyl diethyl phosphate"	"EPA_DSSTox"	"CCOP(=O)(OC(=CCl)C1=CC(Cl)=CC=C1Cl)OCC"	"?"	"InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-7-9(14)5-6-11(10)15/h5-8H,3-4H2,1-2H3"	"SRZOWOUWGAIUTI-UHFFFAOYSA-N"	TRUE	FALSE	35	1	2
"27013-89-4"	"DTXSID70181496"	"Phenol, p-isooctyl-"	"EPA_DSSTox"	"CC(C)CCCCCC1C=CC(O)=CC=1"	"?"	"InChI=1S/C14H22O/c1-12(2)6-4-3-5-7-13-8-10-14(15)11-9-13/h8-12,15H,3-7H2,1-2H3"	"HVXRCAWUNAOCTA-UHFFFAOYSA-N"	FALSE	TRUE	2150	3	5
"27014-42-2"	NA	NA	"Public_CrossChecked"	"OCCOCCN(CCN(CCOCCO)CCOCCO)CCOCCO"	"?"	"InChI=1S/C18H40N2O8/c21-7-15-25-11-3-19(4-12-26-16-8-22)1-2-20(5-13-27-17-9-23)6-14-28-18-10-24/h21-24H,1-18H2"	"VZNCZGIMPKAVMR-UHFFFAOYSA-N"	FALSE	TRUE	9900.00000000001	4	5
"2702-72-9"	"DTXSID4027496"	"2,4-D sodium salt"	"EPA_DSSTox"	"OC(=O)COC1C=CC(Cl)=CC=1Cl"	"[Na+]"	"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"	FALSE	FALSE	552	3	4
"27022-50-0"	"DTXSID50181510"	"Abbott 40060"	"EPA_DSSTox"	"FC(F)(F)C1=NN=C2C3C=CC=CC=3C=CN12"	"?"	"InChI=1S/C11H6F3N3/c12-11(13,14)10-16-15-9-8-4-2-1-3-7(8)5-6-17(9)10/h1-6H"	"VCCLTMGHQTUHGC-UHFFFAOYSA-N"	FALSE	FALSE	660	3	4
"2703-37-9"	NA	NA	"Public_CrossChecked"	"CCS(=O)CCSP(=S)(OC)OC"	"?"	"InChI=1S/C6H15O3PS3/c1-4-13(7)6-5-12-10(11,8-2)9-3/h4-6H2,1-3H3"	"UILALIJMTSYZSE-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"2703-61-9"	NA	NA	"Public_CrossChecked"	"CC(=CC(=O)OCC1C=CC=CC=1)OP(=O)(OC)OC"	"?"	"InChI=1S/C13H17O6P/c1-11(19-20(15,16-2)17-3)9-13(14)18-10-12-7-5-4-6-8-12/h4-9H,10H2,1-3H3"	"GZMFAOPDGXFQBN-UHFFFAOYSA-N"	FALSE	FALSE	56	2	3
"27035-30-9"	"DTXSID70181517"	"Oxametacin"	"EPA_DSSTox"	"CC1=C(CC(=O)NO)C2C=C(C=CC=2N1C(=O)C1C=CC(Cl)=CC=1)OC"	"?"	"InChI=1S/C19H17ClN2O4/c1-11-15(10-18(23)21-25)16-9-14(26-2)7-8-17(16)22(11)19(24)12-3-5-13(20)6-4-12/h3-9,25H,10H2,1-2H3,(H,21,23)"	"AJRNYCDWNITGHF-UHFFFAOYSA-N"	FALSE	FALSE	78	2	3
"2705-87-5"	"DTXSID8044755"	"Prop-2-en-1-yl 3-cyclohexylpropanoate"	"EPA_DSSTox"	"C=CCOC(=O)CCC1CCCCC1"	"?"	"InChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2"	"TWXUTZNBHUWMKJ-UHFFFAOYSA-N"	FALSE	FALSE	585	3	4
"27050-40-4"	NA	NA	"Public_CrossChecked"	"CCCN1CCCC1=NC1=CC(Cl)=C(Cl)C=C1"	"?"	"InChI=1S/C13H16Cl2N2/c1-2-7-17-8-3-4-13(17)16-10-5-6-11(14)12(15)9-10/h5-6,9H,2-4,7-8H2,1H3"	"HJWREMKULQQRIA-UHFFFAOYSA-N"	FALSE	TRUE	2120	3	5
"27060-91-9"	"DTXSID6023072"	"Flutazolam"	"EPA_DSSTox"	"OCCN1C(=O)CN2CCOC2(C2=CC=CC=C2F)C2=CC(Cl)=CC=C12"	"?"	"InChI=1S/C19H18ClFN2O3/c20-13-5-6-17-15(11-13)19(14-3-1-2-4-16(14)21)22(8-10-26-19)12-18(25)23(17)7-9-24/h1-6,11,24H,7-10,12H2"	"WMFSSTNVXWNLKI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"27076-30-8"	"DTXSID4067278"	"Propanamide, 3-[(2-hydroxyethyl)amino]-"	"EPA_DSSTox"	"NC(=O)CCNCCO"	"?"	"InChI=1S/C5H12N2O2/c6-5(9)1-2-7-3-4-8/h7-8H,1-4H2,(H2,6,9)"	"WRLAXUYIDLSRHV-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"27097-43-4"	NA	NA	"Public_CrossChecked"	"OC1(C2C=CC=CC=2C2=NCCN12)C1=CC(Cl)=CC=C1"	"?"	"InChI=1S/C16H13ClN2O/c17-12-5-3-4-11(10-12)16(20)14-7-2-1-6-13(14)15-18-8-9-19(15)16/h1-7,10,20H,8-9H2"	"OYWHYTUIHQDEED-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"27097-44-5"	NA	NA	"Public_CrossChecked"	"OC1(C2=C(Cl)C=CC=C2C2=NCCN12)C1C=CC=CC=1"	"?"	"InChI=1S/C16H13ClN2O/c17-13-8-4-7-12-14(13)16(20,11-5-2-1-3-6-11)19-10-9-18-15(12)19/h1-8,20H,9-10H2"	"KGXSWLWIHQIERE-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"27114-11-0"	NA	NA	"Public_CrossChecked"	"O=C(CC1C=CC(F)=CC=1)CCN1CC2CCC3C=CC=CC=3N2CC1"	"Cl.Cl"	"InChI=1S/C22H25FN2O/c23-19-8-5-17(6-9-19)15-21(26)11-12-24-13-14-25-20(16-24)10-7-18-3-1-2-4-22(18)25/h1-6,8-9,20H,7,10-16H2"	"WIARTRBUKNOPBJ-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"27138-31-4"	"DTXSID6027921"	"Di(propylene glycol) dibenzoate"	"EPA_DSSTox"	"CC(COCC(C)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1"	"?"	"InChI=1S/C20H22O5/c1-15(24-19(21)17-9-5-3-6-10-17)13-23-14-16(2)25-20(22)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3"	"IZYUWBATGXUSIK-UHFFFAOYSA-N"	FALSE	TRUE	3295	3	5
"27199-40-2"	"DTXSID6045117"	"Pifexole"	"EPA_DSSTox"	"ClC1=CC=CC=C1C1=NC(=NO1)C1C=CN=CC=1"	"?"	"InChI=1S/C13H8ClN3O/c14-11-4-2-1-3-10(11)13-16-12(17-18-13)9-5-7-15-8-6-9/h1-8H"	"YXVGPSQAIBDQJD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2720-19-6"	NA	NA	"Public_CrossChecked"	"COP(=S)(CC)OC1C=C(Cl)C(Br)=CC=1Cl"	"?"	"InChI=1S/C9H10BrCl2O2PS/c1-3-15(16,13-2)14-9-5-7(11)6(10)4-8(9)12/h4-5H,3H2,1-2H3"	"TWNWPCMKTMUIBD-UHFFFAOYSA-N"	FALSE	FALSE	80	2	3
"2720-73-2"	"DTXSID2062610"	"Carbonodithioic acid, O-pentyl ester, potassium salt (1:1)"	"EPA_DSSTox"	"CCCCCOC(S)=S"	"[K+]"	"InChI=1S/C6H12OS2/c1-2-3-4-5-7-6(8)9/h2-5H2,1H3,(H,8,9)"	"QWENMOXLTHDKDL-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"27203-92-5"	"DTXSID90858931"	"Tramadol"	"EPA_DSSTox"	"CN(C)CC1CCCCC1(O)C1C=C(C=CC=1)OC"	"?"	"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"	FALSE	FALSE	228	2	3
"27205-24-9"	NA	NA	"Public_CrossChecked"	"CCSC(C)CC=O"	"?"	"InChI=1S/C6H12OS/c1-3-8-6(2)4-5-7/h5-6H,3-4H2,1-2H3"	"SIWPVNYSXLWJNM-UHFFFAOYSA-N"	FALSE	TRUE	2997	3	5
"27223-35-4"	NA	NA	"Public_CrossChecked"	"CN1C2C=CC(Cl)=CC=2C2(OC(C)=CC(=O)N2CC1=O)C1C=CC=CC=1"	"?"	"InChI=1S/C20H17ClN2O3/c1-13-10-18(24)23-12-19(25)22(2)17-9-8-15(21)11-16(17)20(23,26-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3"	"PWAJCNITSBZRBL-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"27223-49-0"	"DTXSID7058044"	"Proparthrin"	"EPA_DSSTox"	"CC(C)=CC1C(C(=O)OCC2C=C(CC#C)OC=2C)C1(C)C"	"?"	"InChI=1S/C19H24O3/c1-7-8-15-10-14(13(4)22-15)11-21-18(20)17-16(9-12(2)3)19(17,5)6/h1,9-10,16-17H,8,11H2,2-6H3"	"WXBHKHTWAPLUSQ-UHFFFAOYSA-N"	FALSE	TRUE	14000	4	5
"272451-65-7"	"DTXSID4047672"	"Flubendiamide"	"EPA_DSSTox"	"CC(C)(CS(C)(=O)=O)NC(=O)C1=C(I)C=CC=C1C(=O)NC1=CC=C(C=C1C)C(F)(C(F)(F)F)C(F)(F)F"	"?"	"InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)"	"ZGNITFSDLCMLGI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"2728-04-3"	"DTXSID60865298"	"N,N-Diethyl-2-methylbenzamide"	"EPA_DSSTox"	"CC1C=CC=CC=1C(=O)N(CC)CC"	"?"	"InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3"	"KUYQDJOFVBGZID-UHFFFAOYSA-N"	FALSE	FALSE	1210	3	4
"2728-05-4"	"DTXSID40876903"	"BENZAMIDE, N,N-DIETHYL-4-METHYL-"	"EPA_DSSTox"	"CC1C=CC(=CC=1)C(=O)N(CC)CC"	"?"	"InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3"	"PUZORFQMRDHKBT-UHFFFAOYSA-N"	FALSE	TRUE	2300	3	5
"27292-19-9"	"DTXSID70181734"	"9,9-Fluorenedipropionic acid, diethyl ester"	"EPA_DSSTox"	"CCOC(=O)CCC1(CCC(=O)OCC)C2C=CC=CC=2C2C=CC=CC1=2"	"?"	"InChI=1S/C23H26O4/c1-3-26-21(24)13-15-23(16-14-22(25)27-4-2)19-11-7-5-9-17(19)18-10-6-8-12-20(18)23/h5-12H,3-4,13-16H2,1-2H3"	"YIXZOKLYUUEIEW-UHFFFAOYSA-N"	FALSE	TRUE	6170	4	5
"27304-13-8"	"DTXSID9044166"	"(+/-)-Oxychlordane"	"EPA_DSSTox"	"ClC1(Cl)C2(Cl)C3C(C4OC4(Cl)C3Cl)C1(Cl)C(Cl)=C2Cl"	"?"	"InChI=1S/C10H4Cl8O/c11-3-1-2(6-9(3,16)19-6)8(15)5(13)4(12)7(1,14)10(8,17)18/h1-3,6H"	"VWGNQYSIWFHEQU-UHFFFAOYSA-N"	FALSE	FALSE	457	2	4
"27311-52-0"	"DTXSID10181758"	"2,2'-Methylenebis(4-aminophenol) dihydrochloride"	"EPA_DSSTox"	"NC1=CC(CC2C=C(N)C=CC=2O)=C(O)C=C1"	"Cl.Cl"	"InChI=1S/C13H14N2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5,14-15H2"	"HLIGKHFHQXRAOX-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"27312-93-2"	NA	NA	"Public_CrossChecked"	"CCN(CCC(=O)N1C2=CC(=CC=C2SC2C=CC=CC1=2)C(F)(F)F)CC"	"Cl"	"InChI=1S/C20H21F3N2OS/c1-3-24(4-2)12-11-19(26)25-15-7-5-6-8-17(15)27-18-10-9-14(13-16(18)25)20(21,22)23/h5-10,13H,3-4,11-12H2,1-2H3"	"VHEOUJNDDFHPGJ-UHFFFAOYSA-N"	FALSE	FALSE	860	3	4
"27314-13-2"	"DTXSID8024234"	"Norflurazon"	"EPA_DSSTox"	"CNC1C=NN(C(=O)C=1Cl)C1=CC(=CC=C1)C(F)(F)F"	"?"	"InChI=1S/C12H9ClF3N3O/c1-17-9-6-18-19(11(20)10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6,17H,1H3"	"NVGOPFQZYCNLDU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"27318-87-2"	NA	NA	"Public_CrossChecked"	"COC1C=C(C=C(C=1)OC)OCC(O)CO"	"?"	"InChI=1S/C11H16O5/c1-14-9-3-10(15-2)5-11(4-9)16-7-8(13)6-12/h3-5,8,12-13H,6-7H2,1-2H3"	"ZSCBAJZMNJWRTI-UHFFFAOYSA-N"	FALSE	TRUE	2100	3	5
"2735-04-8"	"DTXSID7043829"	"2,4-Dimethoxyaniline"	"EPA_DSSTox"	"COC1=CC(=CC=C1N)OC"	"?"	"InChI=1S/C8H11NO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,9H2,1-2H3"	"GEQNZVKIDIPGCO-UHFFFAOYSA-N"	FALSE	FALSE	464	2	4
"27355-22-2"	"DTXSID2058045"	"Fthalide"	"EPA_DSSTox"	"O=C1OCC2=C1C(Cl)=C(Cl)C(Cl)=C2Cl"	"?"	"InChI=1S/C8H2Cl4O2/c9-4-2-1-14-8(13)3(2)5(10)7(12)6(4)11/h1H2"	"NMWKWBPNKPGATC-UHFFFAOYSA-N"	FALSE	TRUE	20000	4	5
"2736-18-7"	"DTXSID00890564"	"2,4-Dichloro-6-hydroxy-s-triazine sodium salt)"	"EPA_DSSTox"	"O=C1NC(Cl)=NC(Cl)=N1"	"[Na+]"	"InChI=1S/C3HCl2N3O/c4-1-6-2(5)8-3(9)7-1/h(H,6,7,8,9)"	"YKUDHBLDJYZZQS-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"27442-58-6"	NA	NA	"Public_CrossChecked"	"CC(C)COP(=O)(OCC#C)C1C=CC=CC=1"	"?"	"InChI=1S/C13H17O3P/c1-4-10-15-17(14,16-11-12(2)3)13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3"	"ZILCWJCEYQKAFV-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"27451-36-1"	NA	NA	"Public_CrossChecked"	"C=CC(O)CC#N"	"?"	"InChI=1S/C5H7NO/c1-2-5(7)3-4-6/h2,5,7H,1,3H2"	"PBCLOVRWBLGJQA-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"27458-93-1"	"DTXSID4051952"	"Isooctadecan-1-ol"	"EPA_DSSTox"	"CC(C)CCCCCCCCCCCCCCCO"	"?"	"InChI=1S/C18H38O/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h18-19H,3-17H2,1-2H3"	"WNWHHMBRJJOGFJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"27458-94-2"	NA	NA	"Public_CrossChecked"	"CC(C)CCCCCCO"	"?"	"InChI=1S/C9H20O/c1-9(2)7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3"	"QDTDKYHPHANITQ-UHFFFAOYSA-N"	FALSE	TRUE	2979	3	5
"274671-61-3"	"DTXSID9035969"	"N,N-Diethyl-2-(4-methylbenzyloxy) ethylamine hydrochloride"	"EPA_DSSTox"	"CC1C=CC(COCCN(CC)CC)=CC=1"	"Cl"	"InChI=1S/C14H23NO/c1-4-15(5-2)10-11-16-12-14-8-6-13(3)7-9-14/h6-9H,4-5,10-12H2,1-3H3"	"DUPRTBOVJMCXIM-UHFFFAOYSA-N"	FALSE	FALSE	531	3	4
"2747-31-1"	NA	NA	"Public_CrossChecked"	"C[N+](C)([O-])C1C=CC(=CC=1)N=NC1C=CC=CC=1"	"?"	"InChI=1S/C14H15N3O/c1-17(2,18)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h3-11H,1-2H3"	"XHTVNOLAJVJNLK-UHFFFAOYSA-N"	FALSE	TRUE	2200	3	5
"27470-51-5"	"DTXSID6021296"	"Suxibuzone"	"EPA_DSSTox"	"CCCCC1(COC(=O)CCC(O)=O)C(=O)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O"	"?"	"InChI=1S/C24H26N2O6/c1-2-3-16-24(17-32-21(29)15-14-20(27)28)22(30)25(18-10-6-4-7-11-18)26(23(24)31)19-12-8-5-9-13-19/h4-13H,2-3,14-17H2,1H3,(H,27,28)"	"ONWXNHPOAGOMTG-UHFFFAOYSA-N"	FALSE	FALSE	1700	3	4
"2748-88-1"	"DTXSID2046834"	"Miripirium chloride"	"EPA_DSSTox"	"CCCCCCCCCCCCCC[N+]1C=CC(C)=CC=1"	"[Cl-]"	"InChI=1S/C20H36N/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-21-18-15-20(2)16-19-21/h15-16,18-19H,3-14,17H2,1-2H3/q+1"	"JDKRQGOIZPRQRU-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"275-51-4"	"DTXSID2059770"	"Azulene"	"EPA_DSSTox"	"C1=CC=C2C=CC=CC=C21"	"?"	"InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H"	"CUFNKYGDVFVPHO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"27512-72-7"	"DTXSID50181939"	"Ethychlozate"	"EPA_DSSTox"	"CCOC(=O)CC1NN=C2C=CC(Cl)=CC2=1"	"?"	"InChI=1S/C11H11ClN2O2/c1-2-16-11(15)6-10-8-5-7(12)3-4-9(8)13-14-10/h3-5H,2,6H2,1H3,(H,13,14)"	"GLPZEHFBLBYFHN-UHFFFAOYSA-N"	FALSE	TRUE	4800	3	5
"2752-71-8"	"DTXSID20181941"	"Carbamic acid, methyl-, carvacryl ester"	"EPA_DSSTox"	"CC1=CC=C(C=C1OC(=O)NC)C(C)C"	"?"	"InChI=1S/C12H17NO2/c1-8(2)10-6-5-9(3)11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)"	"IGOIEFUCTIBKFZ-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"2752-81-0"	NA	NA	"Public_CrossChecked"	"CNC(=O)OC1C=C(C=CC=1Cl)C(C)C"	"?"	"InChI=1S/C11H14ClNO2/c1-7(2)8-4-5-9(12)10(6-8)15-11(14)13-3/h4-7H,1-3H3,(H,13,14)"	"CZGFTPWPELNYCV-UHFFFAOYSA-N"	TRUE	FALSE	21	1	2
"2753-45-9"	"DTXSID1045372"	"Mebeverine hydrochloride"	"EPA_DSSTox"	"CCN(CCCCOC(=O)C1=CC(OC)=C(C=C1)OC)C(C)CC1C=CC(=CC=1)OC"	"Cl"	"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"	FALSE	FALSE	1540	3	4
"27554-26-3"	"DTXSID0027933"	"Diisooctyl phthalate"	"EPA_DSSTox"	"CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C"	"?"	"InChI=1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3"	"IJFPVINAQGWBRJ-UHFFFAOYSA-N"	FALSE	TRUE	22000	4	5
"2758-06-7"	"DTXSID10883725"	"Ethanaminium, 2-bromo-N,N,N-trimethyl-, bromide (1:1)"	"EPA_DSSTox"	"C[N+](C)(C)CCBr"	"[Br-]"	"InChI=1S/C5H13BrN/c1-7(2,3)5-4-6/h4-5H2,1-3H3/q+1"	"VQHMRKMHWCMMTG-UHFFFAOYSA-N"	FALSE	FALSE	190	2	3
"2759-71-9"	"DTXSID3041827"	"Cypromid"	"EPA_DSSTox"	"O=C(NC1C=C(Cl)C(Cl)=CC=1)C1CC1"	"?"	"InChI=1S/C10H9Cl2NO/c11-8-4-3-7(5-9(8)12)13-10(14)6-1-2-6/h3-6H,1-2H2,(H,13,14)"	"PLQDLOBGKJCDSZ-UHFFFAOYSA-N"	FALSE	FALSE	215	2	3
"27591-69-1"	NA	NA	"Public_CrossChecked"	"CCN(CCOC1C=C2C(=O)C3C=C(C=CC=3C2=CC=1)OCCN(CC)CC)CC"	"Cl.Cl"	"InChI=1S/C25H34N2O3/c1-5-26(6-2)13-15-29-19-9-11-21-22-12-10-20(30-16-14-27(7-3)8-4)18-24(22)25(28)23(21)17-19/h9-12,17-18H,5-8,13-16H2,1-4H3"	"MPMFCABZENCRHV-UHFFFAOYSA-N"	FALSE	FALSE	852	3	4
"27591-74-8"	NA	NA	"Public_CrossChecked"	"CC(=CC(=O)OC(C)C1C=CC=CC=1)OP(=O)(OCC)OCC"	"?"	"InChI=1S/C16H23O6P/c1-5-19-23(18,20-6-2)22-13(3)12-16(17)21-14(4)15-10-8-7-9-11-15/h7-12,14H,5-6H2,1-4H3"	"XBMYITJFLVDXEE-UHFFFAOYSA-N"	FALSE	FALSE	65	2	3
"27603-25-4"	"DTXSID70865385"	"1,3,4-Thiadiazole, 2-(methylsulfonyl)-5-(trifluoromethyl)-"	"EPA_DSSTox"	"CS(=O)(=O)C1=NN=C(S1)C(F)(F)F"	"?"	"InChI=1S/C4H3F3N2O2S2/c1-13(10,11)3-9-8-2(12-3)4(5,6)7/h1H3"	"SQLPTSMJAQPVKR-UHFFFAOYSA-N"	FALSE	FALSE	311.9	2	4
"27605-76-1"	"DTXSID7058048"	"Probenazole"	"EPA_DSSTox"	"C=CCOC1=NS(=O)(=O)C2=CC=CC=C21"	"?"	"InChI=1S/C10H9NO3S/c1-2-7-14-10-8-5-3-4-6-9(8)15(12,13)11-10/h2-6H,1,7H2"	"WHHIPMZEDGBUCC-UHFFFAOYSA-N"	FALSE	TRUE	2030	3	5
"2763-96-4"	"DTXSID5041069"	"Muscimol"	"EPA_DSSTox"	"NCC1=CC(O)=NO1"	"?"	"InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)"	"ZJQHPWUVQPJPQT-UHFFFAOYSA-N"	TRUE	FALSE	45	1	2
"2764-72-9"	"DTXSID6034554"	"Diquat"	"EPA_DSSTox"	"C1C[N+]2C=CC=CC=2C2C=CC=C[N+]=21"	"?"	"InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2"	"SYJFEGQWDCRVNX-UHFFFAOYSA-N"	FALSE	FALSE	220	2	3
"27653-49-2"	"DTXSID70182029"	"Diamino-5-phenyl-6-ethylpyrimidine, 2,4-"	"EPA_DSSTox"	"CCC1=NC(N)=NC(N)=C1C1C=CC=CC=1"	"?"	"InChI=1S/C12H14N4/c1-2-9-10(8-6-4-3-5-7-8)11(13)16-12(14)15-9/h3-7H,2H2,1H3,(H4,13,14,15,16)"	"XREDUPOVEQDQQS-UHFFFAOYSA-N"	FALSE	FALSE	126	2	3
"27676-62-6"	"DTXSID0027935"	"1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-"	"EPA_DSSTox"	"CC(C)(C)C1=CC(CN2C(=O)N(CC3=CC(=C(O)C(=C3)C(C)(C)C)C(C)(C)C)C(=O)N(CC3=CC(=C(O)C(=C3)C(C)(C)C)C(C)(C)C)C2=O)=CC(=C1O)C(C)(C)C"	"?"	"InChI=1S/C48H69N3O6/c1-43(2,3)31-19-28(20-32(37(31)52)44(4,5)6)25-49-40(55)50(26-29-21-33(45(7,8)9)38(53)34(22-29)46(10,11)12)42(57)51(41(49)56)27-30-23-35(47(13,14)15)39(54)36(24-30)48(16,17)18/h19-24,52-54H,25-27H2,1-18H3"	"VNQNXQYZMPJLQX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"27684-90-8"	NA	NA	"Public_CrossChecked"	"CC(CC)C(CN(C)C)C1C=C(F)C=CC=1OC"	"?"	"InChI=1S/C15H24FNO/c1-6-11(2)14(10-17(3)4)13-9-12(16)7-8-15(13)18-5/h7-9,11,14H,6,10H2,1-5H3"	"RNLQFNIHSHJRPG-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"27684-92-0"	NA	NA	"Public_CrossChecked"	"CC(CC)C(CN(C)C)C1C=C(Cl)C=CC=1OCC"	"?"	"InChI=1S/C16H26ClNO/c1-6-12(3)15(11-18(4)5)14-10-13(17)8-9-16(14)19-7-2/h8-10,12,15H,6-7,11H2,1-5H3"	"NSIXVLNBYJVILE-UHFFFAOYSA-N"	FALSE	FALSE	632	3	4
"27724-96-5"	"DTXSID3046459"	"Cetraxate hydrochloride"	"EPA_DSSTox"	"NCC1CCC(CC1)C(=O)OC1=CC=C(CCC(O)=O)C=C1"	"Cl"	"InChI=1S/C17H23NO4/c18-11-13-1-6-14(7-2-13)17(21)22-15-8-3-12(4-9-15)5-10-16(19)20/h3-4,8-9,13-14H,1-2,5-7,10-11,18H2,(H,19,20)"	"FHRSHSOEWXUORL-UHFFFAOYSA-N"	FALSE	FALSE	1503	3	4
"27726-31-4"	"DTXSID20182079"	"Pivcephalexin hydrochloride"	"EPA_DSSTox"	"CC1CSC2C(NC(=O)C(N)C3C=CC=CC=3)C(=O)N2C=1C(=O)OCOC(=O)C(C)(C)C"	"Cl"	"InChI=1S/C22H27N3O6S/c1-12-10-32-19-15(24-17(26)14(23)13-8-6-5-7-9-13)18(27)25(19)16(12)20(28)30-11-31-21(29)22(2,3)4/h5-9,14-15,19H,10-11,23H2,1-4H3,(H,24,26)"	"DIGADQKVPFDJSI-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"27776-01-8"	"DTXSID8041666"	"Benzyltoluene"	"EPA_DSSTox"	"CC1=CC=CC=C1CC1C=CC=CC=1"	"?"	"InChI=1S/C14H14/c1-12-7-5-6-10-14(12)11-13-8-3-2-4-9-13/h2-10H,11H2,1H3"	"PQTAUFTUHHRKSS-UHFFFAOYSA-N"	FALSE	TRUE	3015	3	5
"27778-78-5"	NA	NA	"Public_CrossChecked"	"CC(CC)C(CN(C)C)C1=CC(Cl)=C(C=C1)OC"	"?"	"InChI=1S/C15H24ClNO/c1-6-11(2)13(10-17(3)4)12-7-8-15(18-5)14(16)9-12/h7-9,11,13H,6,10H2,1-5H3"	"FLPXRJWWTNHJSL-UHFFFAOYSA-N"	FALSE	FALSE	454	2	4
"27778-80-9"	NA	NA	"Public_CrossChecked"	"CC(CC)C(CN(C)C)C1=CC(Cl)=C(C=C1)OCC"	"?"	"InChI=1S/C16H26ClNO/c1-6-12(3)14(11-18(4)5)13-8-9-16(19-7-2)15(17)10-13/h8-10,12,14H,6-7,11H2,1-5H3"	"DYGSHKTZVHORCX-UHFFFAOYSA-N"	FALSE	FALSE	451	2	4
"27778-82-1"	NA	NA	"Public_CrossChecked"	"CC(CC)C(CN(C)C)C1C=C(F)C=CC=1OCC"	"?"	"InChI=1S/C16H26FNO/c1-6-12(3)15(11-18(4)5)14-10-13(17)8-9-16(14)19-7-2/h8-10,12,15H,6-7,11H2,1-5H3"	"STXLVWICZNDMHD-UHFFFAOYSA-N"	FALSE	FALSE	324	2	4
"27778-84-3"	NA	NA	"Public_CrossChecked"	"CC(CC)C(CN(C)C)C1C=C(Cl)C=CC=1OCCC"	"?"	"InChI=1S/C17H28ClNO/c1-6-10-20-17-9-8-14(18)11-15(17)16(12-19(4)5)13(3)7-2/h8-9,11,13,16H,6-7,10,12H2,1-5H3"	"IZIQTDPOYZJBRO-UHFFFAOYSA-N"	FALSE	FALSE	561	3	4
"27778-86-5"	NA	NA	"Public_CrossChecked"	"CC(CC)C(CN(C)C)C1=CC(Cl)=C(C=C1)OCCC"	"?"	"InChI=1S/C17H28ClNO/c1-6-10-20-17-9-8-14(11-16(17)18)15(12-19(4)5)13(3)7-2/h8-9,11,13,15H,6-7,10,12H2,1-5H3"	"MBSYIRVXRYXKQC-UHFFFAOYSA-N"	FALSE	FALSE	741	3	4
"27778-88-7"	NA	NA	"Public_CrossChecked"	"CC(CC)C(CN(C)C)C1=CC(Cl)=C(C=C1)OCCCC"	"?"	"InChI=1S/C18H30ClNO/c1-6-8-11-21-18-10-9-15(12-17(18)19)16(13-20(4)5)14(3)7-2/h9-10,12,14,16H,6-8,11,13H2,1-5H3"	"HSYYTQFJYQPZPX-UHFFFAOYSA-N"	FALSE	FALSE	1050	3	4
"2778-04-3"	"DTXSID2041911"	"Endothion"	"EPA_DSSTox"	"COC1=COC(CSP(=O)(OC)OC)=CC1=O"	"?"	"InChI=1S/C9H13O6PS/c1-12-9-5-15-7(4-8(9)10)6-17-16(11,13-2)14-3/h4-5H,6H2,1-3H3"	"YCAGGFXSFQFVQL-UHFFFAOYSA-N"	TRUE	FALSE	23	1	2
"2778-41-8"	"DTXSID2073304"	"Benzene, 1,4-bis(1-isocyanato-1-methylethyl)-"	"EPA_DSSTox"	"CC(C)(N=C=O)C1C=CC(=CC=1)C(C)(C)N=C=O"	"?"	"InChI=1S/C14H16N2O2/c1-13(2,15-9-17)11-5-7-12(8-6-11)14(3,4)16-10-18/h5-8H,1-4H3"	"AGJCSCSSMFRMFQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2778-42-9"	"DTXSID4027498"	"1,3-Bis(2-isocyanatopropan-2-yl)benzene"	"EPA_DSSTox"	"CC(C)(N=C=O)C1C=C(C=CC=1)C(C)(C)N=C=O"	"?"	"InChI=1S/C14H16N2O2/c1-13(2,15-9-17)11-6-5-7-12(8-11)14(3,4)16-10-18/h5-8H,1-4H3"	"AZYRZNIYJDKRHO-UHFFFAOYSA-N"	FALSE	TRUE	4600	3	5
"2781-11-5"	"DTXSID2029242"	"Diethyl((diethanolamino)methyl)phosphonate"	"EPA_DSSTox"	"CCOP(=O)(CN(CCO)CCO)OCC"	"?"	"InChI=1S/C9H22NO5P/c1-3-14-16(13,15-4-2)9-10(5-7-11)6-8-12/h11-12H,3-9H2,1-2H3"	"CCJKFLLIJCGHMO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"27811-88-7"	"DTXSID80182131"	"Trichlorodinitrobenzene"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC(Cl)=C(Cl)C(Cl)=C1[N+]([O-])=O"	"?"	"InChI=1S/C6HCl3N2O4/c7-2-1-3(10(12)13)6(11(14)15)5(9)4(2)8/h1H"	"AKQZAPAZPCWKJI-UHFFFAOYSA-N"	FALSE	FALSE	425	2	4
"27813-02-1"	NA	NA	"Public_CrossChecked"	"CC(=C)C(=O)OCC(C)O"	"?"	"InChI=1S/C7H12O3/c1-5(2)7(9)10-4-6(3)8/h6,8H,1,4H2,2-3H3"	"VHSHLMUCYSAUQU-UHFFFAOYSA-N"	FALSE	TRUE	11200	4	5
"2782-40-3"	"DTXSID70182140"	"Benzamide, N-butyl-"	"EPA_DSSTox"	"CCCCNC(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C11H15NO/c1-2-3-9-12-11(13)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,13)"	"BAULSHLTGVOYKM-UHFFFAOYSA-N"	FALSE	TRUE	5140	4	5
"2782-70-9"	"DTXSID2040280"	"S-{4-[(Dimethoxyphosphorothioyl)sulfanyl]benzyl} O,O-dimethyl phosphorodithioate"	"EPA_DSSTox"	"COP(=S)(OC)SC1C=CC(CSP(=S)(OC)OC)=CC=1"	"?"	"InChI=1S/C11H18O4P2S4/c1-12-16(18,13-2)20-9-10-5-7-11(8-6-10)21-17(19,14-3)15-4/h5-8H,9H2,1-4H3"	"LHYALRHWTJKPFK-UHFFFAOYSA-N"	FALSE	FALSE	265	2	3
"2782-91-4"	"DTXSID5026126"	"1,1,3,3-Tetramethyl-2-thiourea"	"EPA_DSSTox"	"CN(C)C(=S)N(C)C"	"?"	"InChI=1S/C5H12N2S/c1-6(2)5(8)7(3)4/h1-4H3"	"MNOILHPDHOHILI-UHFFFAOYSA-N"	FALSE	FALSE	920	3	4
"2783-94-0"	"DTXSID6021456"	"FD&C Yellow 6"	"EPA_DSSTox"	"OC1C=CC2=CC(=CC=C2C=1N=NC1C=CC(=CC=1)S(O)(=O)=O)S(O)(=O)=O"	"[Na+].[Na+]"	"InChI=1S/C16H12N2O7S2/c19-15-8-1-10-9-13(27(23,24)25)6-7-14(10)16(15)18-17-11-2-4-12(5-3-11)26(20,21)22/h1-9,19H,(H,20,21,22)(H,23,24,25)"	"KEYWXKLGZZGHMT-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"27833-18-7"	"DTXSID80474528"	"Epiboldenone"	"EPA_DSSTox"	"CC12CCC3C(CCC4=CC(=O)C=CC43C)C1CCC2O"	"?"	"InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3"	"RSIHSRDYCUFFLA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"2784-27-2"	NA	NA	"Public_CrossChecked"	"OC1C=CC(=CC=1)C1(NC(=O)NC1=O)C1C=CC=CC=1"	"?"	"InChI=1S/C15H12N2O3/c18-12-8-6-11(7-9-12)15(10-4-2-1-3-5-10)13(19)16-14(20)17-15/h1-9,18H,(H2,16,17,19,20)"	"XEEDURHPFVXALT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"27848-84-6"	"DTXSID7045607"	"Nicergoline"	"EPA_DSSTox"	"COC12CC(CN(C)C1CC1=CN(C)C3=CC=CC2=C13)COC(=O)C1C=NC=C(Br)C=1"	"?"	"InChI=1S/C24H26BrN3O3/c1-27-13-17-8-21-24(30-3,19-5-4-6-20(27)22(17)19)9-15(12-28(21)2)14-31-23(29)16-7-18(25)11-26-10-16/h4-7,10-11,13,15,21H,8-9,12,14H2,1-3H3"	"YSEXMKHXIOCEJA-UHFFFAOYSA-N"	FALSE	FALSE	1193	3	4
"2785-87-7"	"DTXSID2047199"	"2-Methoxy-4-propylphenol"	"EPA_DSSTox"	"CCCC1=CC(OC)=C(O)C=C1"	"?"	"InChI=1S/C10H14O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7,11H,3-4H2,1-2H3"	"PXIKRTCSSLJURC-UHFFFAOYSA-N"	FALSE	TRUE	2600	3	5
"27858-07-7"	NA	NA	"Public_CrossChecked"	"BrC1=CC=C(C2C(Br)=C(Br)C(Br)=C(Br)C=2Br)C(Br)=C1Br"	"?"	"InChI=1S/C12H2Br8/c13-4-2-1-3(6(14)7(4)15)5-8(16)10(18)12(20)11(19)9(5)17/h1-2H"	"NDRKXFLZSRHAJE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"27879-29-4"	NA	NA	"Public_CrossChecked"	"CC(C(C)C1C=CC(C[N+](CC)(CC)CC)=CC=1)C1C=CC=CC=1"	"[Cl-]"	"InChI=1S/C23H34N/c1-6-24(7-2,8-3)18-21-14-16-23(17-15-21)20(5)19(4)22-12-10-9-11-13-22/h9-17,19-20H,6-8,18H2,1-5H3/q+1"	"MRSZGSBZFGVHFC-UHFFFAOYSA-N"	FALSE	TRUE	2180	3	5
"2789-92-6"	"DTXSID50182183"	"Anthranilic acid, 3,5-dichloro-"	"EPA_DSSTox"	"NC1C(=CC(Cl)=CC=1Cl)C(O)=O"	"?"	"InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)"	"KTHTXLUIEAIGCD-UHFFFAOYSA-N"	FALSE	TRUE	4120	3	5
"27891-14-1"	NA	NA	"Public_CrossChecked"	"CC(CC)N(C(C)CC)C(=O)C1C(Cl)=CC=CC=1Cl"	"?"	"InChI=1S/C15H21Cl2NO/c1-5-10(3)18(11(4)6-2)15(19)14-12(16)8-7-9-13(14)17/h7-11H,5-6H2,1-4H3"	"ACZAVKVQOOZHDY-UHFFFAOYSA-N"	FALSE	FALSE	1450	3	4
"27896-84-0"	"DTXSID50885405"	"1H-Benzimidazole, 6-nitro-, nitrate (1:1)"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC2NC=NC=2C=C1"	"O[N+]([O-])=O"	"InChI=1S/C7H5N3O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9)"	"XPAZGLFMMUODDK-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"27912-14-7"	"DTXSID6020777"	"Levobunolol hydrochloride"	"EPA_DSSTox"	"CC(C)(C)NCC(O)COC1=CC=CC2C(=O)CCCC=21"	"Cl"	"InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3"	"IXHBTMCLRNMKHZ-UHFFFAOYSA-N"	FALSE	FALSE	700	3	4
"27942-00-3"	NA	NA	"Public_CrossChecked"	"C[n]1ccc(=O)[nH]c1=O"	"?"	"InChI=1S/C5H6N2O2/c1-7-3-2-4(8)6-5(7)9/h2-3H,1H3,(H,6,8,9)"	"XBCXJKGHPABGSD-UHFFFAOYSA-N"	FALSE	TRUE	8150	4	5
"27945-43-3"	"DTXSID00182219"	"4(3H)-Quinazolinone, 3-(3,5-dimethyl-4-hydroxyphenyl)-2-methyl-"	"EPA_DSSTox"	"CC1C=C(C=C(C)C=1O)N1C(=O)C2C=CC=CC=2N=C1C"	"?"	"InChI=1S/C17H16N2O2/c1-10-8-13(9-11(2)16(10)20)19-12(3)18-15-7-5-4-6-14(15)17(19)21/h4-9,20H,1-3H3"	"JENZANUHKHDPCZ-UHFFFAOYSA-N"	FALSE	FALSE	230	2	3
"27954-37-6"	"DTXSID4042460"	"Tetrafluron"	"EPA_DSSTox"	"CN(C)C(=O)NC1=CC(=CC=C1)OC(F)(F)C(F)F"	"?"	"InChI=1S/C11H12F4N2O2/c1-17(2)10(18)16-7-4-3-5-8(6-7)19-11(14,15)9(12)13/h3-6,9H,1-2H3,(H,16,18)"	"FCAKZZMVXCLLHM-UHFFFAOYSA-N"	FALSE	FALSE	1265	3	4
"27955-94-8"	"DTXSID2037712"	"4,4',4-Ethane-1,1,1-triyltriphenol"	"EPA_DSSTox"	"CC(C1C=CC(O)=CC=1)(C1C=CC(O)=CC=1)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C20H18O3/c1-20(14-2-8-17(21)9-3-14,15-4-10-18(22)11-5-15)16-6-12-19(23)13-7-16/h2-13,21-23H,1H3"	"BRPSWMCDEYMRPE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"27959-26-8"	"DTXSID9048722"	"Nicomolol"	"EPA_DSSTox"	"OC1C(COC(=O)C2C=NC=CC=2)(COC(=O)C2C=NC=CC=2)CCCC1(COC(=O)C1C=NC=CC=1)COC(=O)C1C=NC=CC=1"	"?"	"InChI=1S/C34H32N4O9/c39-28(24-6-1-12-35-16-24)44-20-33(21-45-29(40)25-7-2-13-36-17-25)10-5-11-34(32(33)43,22-46-30(41)26-8-3-14-37-18-26)23-47-31(42)27-9-4-15-38-19-27/h1-4,6-9,12-19,32,43H,5,10-11,20-23H2"	"VRAHPESAMYMDQI-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"2797-51-5"	"DTXSID1041390"	"2-Amino-3-chloro-1,4-naphthoquinone"	"EPA_DSSTox"	"NC1=C(Cl)C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2"	"OBLNWSCLAYSJJR-UHFFFAOYSA-N"	FALSE	FALSE	1360	3	4
"27970-79-2"	"DTXSID0029341"	"3-Pentanone, 1-hydroxy-2-methyl-"	"EPA_DSSTox"	"CCC(=O)C(C)CO"	"?"	"InChI=1S/C6H12O2/c1-3-6(8)5(2)4-7/h5,7H,3-4H2,1-2H3"	"JYEMLYGXHDIVRA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"28005-74-5"	"DTXSID9051955"	"2,2'-[(2-Methylphenyl)imino]bisethanol"	"EPA_DSSTox"	"CC1C=CC=CC=1N(CCO)CCO"	"?"	"InChI=1S/C11H17NO2/c1-10-4-2-3-5-11(10)12(6-8-13)7-9-14/h2-5,13-14H,6-9H2,1H3"	"LWAFETVQZHKDIS-UHFFFAOYSA-N"	FALSE	TRUE	2200	3	5
"2801-68-5"	"DTXSID2091540"	"(+/-) -1-(2,5-Dimethoxyphenyl)-2-aminopropane"	"EPA_DSSTox"	"COC1C=CC(=CC=1CC(C)N)OC"	"?"	"InChI=1S/C11H17NO2/c1-8(12)6-9-7-10(13-2)4-5-11(9)14-3/h4-5,7-8H,6,12H2,1-3H3"	"LATVFYDIBMDBSY-UHFFFAOYSA-N"	FALSE	FALSE	171	2	3
"2807-30-9"	"DTXSID1027500"	"2-Propoxyethanol"	"EPA_DSSTox"	"CCCOCCO"	"?"	"InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3"	"YEYKMVJDLWJFOA-UHFFFAOYSA-N"	FALSE	TRUE	3089	3	5
"281-23-2"	"DTXSID5022017"	"Adamantane"	"EPA_DSSTox"	"C1C2CC3CC1CC(C2)C3"	"?"	"InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2"	"ORILYTVJVMAKLC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2814-20-2"	"DTXSID1027502"	"2-Isopropyl-6-methyl-4-pyrimidone"	"EPA_DSSTox"	"CC1=CC(=O)N=C(N1)C(C)C"	"?"	"InChI=1S/C8H12N2O/c1-5(2)8-9-6(3)4-7(11)10-8/h4-5H,1-3H3,(H,9,10,11)"	"AJPIUNPJBFBUKK-UHFFFAOYSA-N"	FALSE	TRUE	2700	3	5
"28140-60-5"	"DTXSID4051958"	"3-Anilinoacraldehyde anil, HCl salt"	"EPA_DSSTox"	"C(=CC=NC1C=CC=CC=1)NC1C=CC=CC=1"	"Cl"	"InChI=1S/C15H14N2/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15/h1-13,16H"	"ZFYNTCNECVPHDZ-UHFFFAOYSA-N"	FALSE	FALSE	1130	3	4
"28156-60-7"	"DTXSID30182424"	"Poly-N-(2-hydroxyethyl)acrylamide"	"EPA_DSSTox"	"C=CC(=O)NCCO"	"?"	"InChI=1S/C5H9NO2/c1-2-5(8)6-3-4-7/h2,7H,1,3-4H2,(H,6,8)"	"UUORTJUPDJJXST-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"28173-59-3"	"DTXSID8067361"	"Carbonic acid, 2-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]ethyl phenyl ester"	"EPA_DSSTox"	"NC1C2=C(C(O)=CC=1OCCOC(=O)OC1C=CC=CC=1)C(=O)C1C=CC=CC=1C2=O"	"?"	"InChI=1S/C23H17NO7/c24-20-17(29-10-11-30-23(28)31-13-6-2-1-3-7-13)12-16(25)18-19(20)22(27)15-9-5-4-8-14(15)21(18)26/h1-9,12,25H,10-11,24H2"	"GLLYQJVICPAIGW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"28175-97-5"	"DTXSID80182454"	"GS 31144"	"EPA_DSSTox"	"CC1=CC(=O)N=C(N1)C(C)(C)O"	"?"	"InChI=1S/C8H12N2O2/c1-5-4-6(11)10-7(9-5)8(2,3)12/h4,12H,1-3H3,(H,9,10,11)"	"YJVZSRAHZKCRKI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"28178-42-9"	"DTXSID9051959"	"2,6-Diisopropylphenyl isocyanate"	"EPA_DSSTox"	"CC(C)C1=CC=CC(C(C)C)=C1N=C=O"	"?"	"InChI=1S/C13H17NO/c1-9(2)11-6-5-7-12(10(3)4)13(11)14-8-15/h5-7,9-10H,1-4H3"	"FEUFNKALUGDEMQ-UHFFFAOYSA-N"	FALSE	FALSE	1414	3	4
"2818-89-5"	"DTXSID20182458"	"Benzoselenazole, 2,5-dimethyl-"	"EPA_DSSTox"	"CC1=NC2C(=CC=CC=2C)[Se]1"	"?"	"InChI=1S/C9H9NSe/c1-6-4-3-5-8-9(6)10-7(2)11-8/h3-5H,1-2H3"	"QOCDXWOQEUNOQG-UHFFFAOYSA-N"	FALSE	FALSE	1060	3	4
"28213-87-8"	NA	NA	"Public_CrossChecked"	"CNC(=O)ON=C1C(Cl)C2CC1C(C2)C#N"	"?"	"InChI=1S/C10H12ClN3O2/c1-13-10(15)16-14-9-7-3-5(8(9)11)2-6(7)4-12/h5-8H,2-3H2,1H3,(H,13,15)"	"QCQPGRMMDFIQMB-UHFFFAOYSA-N"	TRUE	FALSE	24	1	2
"28217-97-2"	"DTXSID2058049"	"Chloromethiuron"	"EPA_DSSTox"	"CC1=CC(Cl)=CC=C1NC(=S)N(C)C"	"?"	"InChI=1S/C10H13ClN2S/c1-7-6-8(11)4-5-9(7)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)"	"IBZZDPVVVSNQOY-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"28231-03-0"	"DTXSID3051961"	"Cedr-8(15)-en-4-ol"	"EPA_DSSTox"	"CC1(C)C2C(O)CC(C)C32CC1C(=C)CC3"	"?"	"InChI=1S/C15H24O/c1-9-5-6-15-8-11(9)14(3,4)13(15)12(16)7-10(15)2/h10-13,16H,1,5-8H2,2-4H3"	"XXEZIFFYVUWPSP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"28249-77-6"	"DTXSID6024337"	"Thiobencarb"	"EPA_DSSTox"	"CCN(CC)C(=O)SCC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3"	"QHTQREMOGMZHJV-UHFFFAOYSA-N"	FALSE	FALSE	920	3	4
"2830-87-7"	NA	NA	"Public_CrossChecked"	"COP(=S)(OC)SC(C(=O)NCC)C(=O)NCC"	"?"	"InChI=1S/C9H19N2O4PS2/c1-5-10-8(12)7(9(13)11-6-2)18-16(17,14-3)15-4/h7H,5-6H2,1-4H3,(H,10,12)(H,11,13)"	"YUGAHGZEFZNBOZ-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"28300-74-5"	"DTXSID3039240"	"Antimony potassium tartrate trihydrate"	"EPA_DSSTox"	"OC(=O)C(O)C(O)C(O)=O"	"O=C([O-])[C@@H]([C@@H]([O-])C(=O)[O-])[O-] |&1:3,4|.[Sb+3].[Sb+3].[K+]"	"InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)"	"FEWJPZIEWOKRBE-UHFFFAOYSA-N"	FALSE	FALSE	115	2	3
"2835-39-4"	"DTXSID4039233"	"Allyl isovalerate"	"EPA_DSSTox"	"CC(C)CC(=O)OCC=C"	"?"	"InChI=1S/C8H14O2/c1-4-5-10-8(9)6-7(2)3/h4,7H,1,5-6H2,2-3H3"	"HOMAGVUCNZNWBC-UHFFFAOYSA-N"	FALSE	FALSE	230	2	3
"2835-95-2"	"DTXSID9024489"	"5-Amino-2-methylphenol"	"EPA_DSSTox"	"CC1C=CC(N)=CC=1O"	"?"	"InChI=1S/C7H9NO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,8H2,1H3"	"DBFYESDCPWWCHN-UHFFFAOYSA-N"	FALSE	TRUE	3600	3	5
"283594-90-1"	"DTXSID1034929"	"Spiromesifen"	"EPA_DSSTox"	"CC(C)(C)CC(=O)OC1=C(C2C(C)=CC(C)=CC=2C)C(=O)OC21CCCC2"	"?"	"InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3"	"GOLXNESZZPUPJE-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"2836-32-0"	"DTXSID6047153"	"Glycolic acid sodium salt"	"EPA_DSSTox"	"OCC(O)=O"	"[Na+]"	"InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)"	"AEMRFAOFKBGASW-UHFFFAOYSA-N"	FALSE	TRUE	7110	4	5
"28382-15-2"	"DTXSID5034694"	"Maleic hydrazide, potassium salt"	"EPA_DSSTox"	"OC1=CCC(=O)N=N1"	"[K+]"	"InChI=1S/C4H4N2O2/c7-3-1-2-4(8)6-5-3/h1,7H,2H2"	"IRBXDIKTBDQVOK-UHFFFAOYSA-N"	FALSE	TRUE	3900	3	5
"28395-03-1"	"DTXSID5022699"	"Bumetanide"	"EPA_DSSTox"	"CCCCNC1=CC(=CC(=C1OC1C=CC=CC=1)S(N)(=O)=O)C(O)=O"	"?"	"InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)"	"MAEIEVLCKWDQJH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2840-28-0"	"DTXSID8044414"	"3-Amino-4-chlorobenzoic acid"	"EPA_DSSTox"	"NC1C=C(C=CC=1Cl)C(O)=O"	"?"	"InChI=1S/C7H6ClNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)"	"DMGFVJVLVZOSOE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2842-38-8"	"DTXSID00182633"	"Ethanol, 2-(cyclohexylamino)-"	"EPA_DSSTox"	"OCCNC1CCCCC1"	"?"	"InChI=1S/C8H17NO/c10-7-6-9-8-4-2-1-3-5-8/h8-10H,1-7H2"	"MGUMZJAQENFQKN-UHFFFAOYSA-N"	FALSE	TRUE	38300	4	5
"28434-00-6"	"DTXSID2039336"	"S-Bioallethrin"	"EPA_DSSTox"	"CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C"	"?"	"InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3"	"ZCVAOQKBXKSDMS-UHFFFAOYSA-N"	FALSE	FALSE	430	2	4
"28434-01-7"	"DTXSID2034382"	"Bioresmethrin"	"EPA_DSSTox"	"CC(C)=CC1C(C(=O)OCC2C=C(CC3C=CC=CC=3)OC=2)C1(C)C"	"?"	"InChI=1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3"	"VEMKTZHHVJILDY-UHFFFAOYSA-N"	FALSE	FALSE	1244	3	4
"284462-37-9"	"DTXSID10586507"	"4-(4-Aminophenoxy)-N-methylpyridine-2-carboxamide"	"EPA_DSSTox"	"CNC(=O)C1=CC(=CC=N1)OC1C=CC(N)=CC=1"	"?"	"InChI=1S/C13H13N3O2/c1-15-13(17)12-8-11(6-7-16-12)18-10-4-2-9(14)3-5-10/h2-8H,14H2,1H3,(H,15,17)"	"RXZZBPYPZLAEFC-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"28472-97-1"	"DTXSID9027942"	"Nonanedioic acid, diisodecyl ester"	"EPA_DSSTox"	"CC(C)CCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCC(C)C"	"?"	"InChI=1S/C29H56O4/c1-26(2)20-14-8-6-12-18-24-32-28(30)22-16-10-5-11-17-23-29(31)33-25-19-13-7-9-15-21-27(3)4/h26-27H,5-25H2,1-4H3"	"WLLCYXDFVBWGBU-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"28508-28-3"	NA	NA	"Public_CrossChecked"	"CCC(C)N"	"OP(=O)(O)O"	"InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3"	"BHRZNVHARXXAHW-UHFFFAOYSA-N"	FALSE	FALSE	1770	3	4
"2852-07-5"	"DTXSID5073959"	"1,3-Butadiene, 1,1,2-trichloro-"	"EPA_DSSTox"	"C=CC(Cl)=C(Cl)Cl"	"?"	"InChI=1S/C4H3Cl3/c1-2-3(5)4(6)7/h2H,1H2"	"ZFBGKBGUMMBBMY-UHFFFAOYSA-N"	FALSE	FALSE	680	3	4
"2853-69-2"	"DTXSID40182753"	"Pteridine, 6-o-tolyl-2,4,7-triamino-"	"EPA_DSSTox"	"CC1C=CC=CC=1C1=NC2=C(N=C(N)N=C2N)N=C1N"	"?"	"InChI=1S/C13H13N7/c1-6-4-2-3-5-7(6)8-10(14)18-12-9(17-8)11(15)19-13(16)20-12/h2-5H,1H3,(H6,14,15,16,18,19,20)"	"GXCOXYQKWSWCGG-UHFFFAOYSA-N"	FALSE	FALSE	1800	3	4
"28534-37-4"	"DTXSID80182757"	"Salicylamide, 5-methoxy-"	"EPA_DSSTox"	"COC1=CC(C(N)=O)=C(O)C=C1"	"?"	"InChI=1S/C8H9NO3/c1-12-5-2-3-7(10)6(4-5)8(9)11/h2-4,10H,1H3,(H2,9,11)"	"VLSVEVCSHFHKEM-UHFFFAOYSA-N"	FALSE	FALSE	1900	3	4
"28548-09-6"	NA	NA	"Public_CrossChecked"	"OC1C2C3OC3C1C1C2C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl"	"?"	"InChI=1S/C12H8Cl6O2/c13-8-9(14)11(16)4-2-5(19)1(6-7(2)20-6)3(4)10(8,15)12(11,17)18/h1-7,19H"	"VRHKKHANKOOSAH-UHFFFAOYSA-N"	TRUE	FALSE	1.2	1	1
"28558-32-9"	"DTXSID2034960"	"Thiabendazole hypophosphite"	"EPA_DSSTox"	"C1=NC(=CS1)C1NC2C=CC=CC=2N=1"	"P(O)=O"	"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"	FALSE	TRUE	3100	3	5
"28559-00-4"	"DTXSID3041825"	"Cypendazole"	"EPA_DSSTox"	"COC(=O)NC1=NC2C=CC=CC=2N1C(=O)NCCCCCC#N"	"?"	"InChI=1S/C16H19N5O3/c1-24-16(23)20-14-19-12-8-4-5-9-13(12)21(14)15(22)18-11-7-3-2-6-10-17/h4-5,8-9H,2-3,6-7,11H2,1H3,(H,18,22)(H,19,20,23)"	"MKZGVGOBXZJKGV-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"2856-75-9"	"DTXSID60182775"	"Modaline sulfate"	"EPA_DSSTox"	"CC1=NC=CN=C1N1CCCCC1"	"S(O)(O)(=O)=O"	"InChI=1S/C10H15N3/c1-9-10(12-6-5-11-9)13-7-3-2-4-8-13/h5-6H,2-4,7-8H2,1H3"	"BJHCGMHPEKLROM-UHFFFAOYSA-N"	FALSE	FALSE	730	3	4
"28562-70-1"	"DTXSID20182776"	"Furcarbanil [ISO]"	"EPA_DSSTox"	"CC1OC(C)=CC=1C(=O)NC1C=CC=CC=1"	"?"	"InChI=1S/C13H13NO2/c1-9-8-12(10(2)16-9)13(15)14-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,15)"	"XEPBBUCQCXXTGR-UHFFFAOYSA-N"	FALSE	FALSE	64	2	3
"28570-58-3"	"DTXSID00182779"	"Benzoic acid, p-(3-(benzyloxy)-1H-indazol-1-yl)-, butyl ester"	"EPA_DSSTox"	"CCCCOC(=O)C1C=CC(=CC=1)N1N=C(OCC2C=CC=CC=2)C2C=CC=CC1=2"	"?"	"InChI=1S/C25H24N2O3/c1-2-3-17-29-25(28)20-13-15-21(16-14-20)27-23-12-8-7-11-22(23)24(26-27)30-18-19-9-5-4-6-10-19/h4-16H,2-3,17-18H2,1H3"	"KFHOWWCLCYDJJC-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"28610-84-6"	NA	NA	"Public_CrossChecked"	"CCOC(=O)c1c[n+](C)c2CCCC(C)[n]2c1=O"	"COS(=O)(=O)[O-]"	"InChI=1S/C13H19N2O3/c1-4-18-13(17)10-8-14(3)11-7-5-6-9(2)15(11)12(10)16/h8-9H,4-7H2,1-3H3/q+1"	"JOWRFSPJFXLGGY-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"28616-48-0"	NA	NA	"Public_CrossChecked"	"CN(C)P(=O)(OP(=O)(OCC)N(C)C)OCC"	"?"	"InChI=1S/C8H22N2O5P2/c1-7-13-16(11,9(3)4)15-17(12,10(5)6)14-8-2/h7-8H2,1-6H3"	"IZTQPCTXSWRFSB-UHFFFAOYSA-N"	TRUE	FALSE	12.4	1	2
"28657-80-9"	"DTXSID8022822"	"Cinoxacin"	"EPA_DSSTox"	"CCN1N=C(C(=O)C2C=C3OCOC3=CC1=2)C(O)=O"	"?"	"InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)"	"VDUWPHTZYNWKRN-UHFFFAOYSA-N"	FALSE	TRUE	3610	3	5
"2866-43-5"	"DTXSID8051966"	"2,2'-Thiophene-2,5-diylbis(benzoxazole)"	"EPA_DSSTox"	"C1=CC=CC2OC(=NC=21)C1=CC=C(S1)C1=NC2=CC=CC=C2O1"	"?"	"InChI=1S/C18H10N2O2S/c1-3-7-13-11(5-1)19-17(21-13)15-9-10-16(23-15)18-20-12-6-2-4-8-14(12)22-18/h1-10H"	"UGFSLKRMHPGLFU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2866-82-2"	"DTXSID40182819"	"Benzamide, N-(4-chlorophenyl)-"	"EPA_DSSTox"	"O=C(NC1C=CC(Cl)=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C13H10ClNO/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h1-9H,(H,15,16)"	"PJFPJLMLHHTWDZ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"2867-47-2"	"DTXSID1027504"	"2-(Dimethylamino)ethyl methacrylate"	"EPA_DSSTox"	"CC(=C)C(=O)OCCN(C)C"	"?"	"InChI=1S/C8H15NO2/c1-7(2)8(10)11-6-5-9(3)4/h1,5-6H2,2-4H3"	"JKNCOURZONDCGV-UHFFFAOYSA-N"	FALSE	FALSE	455	2	4
"286938-65-6"	"DTXSID40182854"	"Capryl methicone"	"EPA_DSSTox"	"CCCCCCCCCCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C"	"?"	"InChI=1S/C21H50O2Si3/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-26(8,22-24(2,3)4)23-25(5,6)7/h9-21H2,1-8H3"	"CIAZJIQGPOGZDS-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"287-29-6"	"DTXSID60883356"	"Silacyclobutane"	"EPA_DSSTox"	"C1CC[SiH2]1"	"?"	"InChI=1S/C3H8Si/c1-2-4-3-1/h1-4H2"	"QZYLHXTXFGOILC-UHFFFAOYSA-N"	FALSE	FALSE	1539	3	4
"287-92-3"	"DTXSID6024886"	"Cyclopentane"	"EPA_DSSTox"	"C1CCCC1"	"?"	"InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2"	"RGSFGYAAUTVSQA-UHFFFAOYSA-N"	FALSE	TRUE	11400	4	5
"2871-01-4"	"DTXSID2021236"	"HC Red 3"	"EPA_DSSTox"	"NC1=CC(=C(C=C1)NCCO)[N+]([O-])=O"	"?"	"InChI=1S/C8H11N3O3/c9-6-1-2-7(10-3-4-12)8(5-6)11(13)14/h1-2,5,10,12H,3-4,9H2"	"GZGZVOLBULPDFD-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"2872-48-2"	"DTXSID1062677"	"9,10-Anthracenedione, 1,4-diamino-2-methoxy-"	"EPA_DSSTox"	"COC1C=C(N)C2=C(C(=O)C3=CC=CC=C3C2=O)C=1N"	"?"	"InChI=1S/C15H12N2O3/c1-20-10-6-9(16)11-12(13(10)17)15(19)8-5-3-2-4-7(8)14(11)18/h2-6H,16-17H2,1H3"	"TUXJTJITXCHUEL-UHFFFAOYSA-N"	FALSE	FALSE	891	3	4
"2872-96-0"	NA	NA	"Public_CrossChecked"	"COP(=O)(OC(Br)C(Cl)(Cl)Br)OC1C=CC=CC=1"	"?"	"InChI=1S/C9H9Br2Cl2O4P/c1-15-18(14,17-8(10)9(11,12)13)16-7-5-3-2-4-6-7/h2-6,8H,1H3"	"OJZFHKHNSOWXOB-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"2873-97-4"	"DTXSID1024916"	"Diacetone acrylamide"	"EPA_DSSTox"	"CC(=O)CC(C)(C)NC(=O)C=C"	"?"	"InChI=1S/C9H15NO2/c1-5-8(12)10-9(3,4)6-7(2)11/h5H,1,6H2,2-4H3,(H,10,12)"	"OMNKZBIFPJNNIO-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"28730-17-8"	"DTXSID8042137"	"Methfuroxam"	"EPA_DSSTox"	"CC1C(C(=O)NC2C=CC=CC=2)=C(C)OC=1C"	"?"	"InChI=1S/C14H15NO2/c1-9-10(2)17-11(3)13(9)14(16)15-12-7-5-4-6-8-12/h4-8H,1-3H3,(H,15,16)"	"ZWJNEYVWPYIKMB-UHFFFAOYSA-N"	FALSE	FALSE	1470	3	4
"28743-45-5"	NA	NA	"Public_CrossChecked"	"CN(C)C1C=CC=C2N=C3C=CC=C(C3=CC=12)[N+]([O-])=O"	"[Cl-]"	"InChI=1S/C15H13N3O2/c1-17(2)14-7-3-5-12-10(14)9-11-13(16-12)6-4-8-15(11)18(19)20/h3-9H,1-2H3"	"VLPVTFQMSDZWRU-UHFFFAOYSA-N"	TRUE	FALSE	24	1	2
"2876-78-0"	"DTXSID2042143"	"Methyl 1-naphthaleneacetate"	"EPA_DSSTox"	"COC(=O)CC1C=CC=C2C=CC=CC2=1"	"?"	"InChI=1S/C13H12O2/c1-15-13(14)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3"	"YGGXZTQSGNFKPJ-UHFFFAOYSA-N"	FALSE	FALSE	1900	3	4
"28770-01-6"	"DTXSID30865447"	"3-Oxazolidineethanol, 2-(1-methylethyl)-"	"EPA_DSSTox"	"CC(C)C1OCCN1CCO"	"?"	"InChI=1S/C8H17NO2/c1-7(2)8-9(3-5-10)4-6-11-8/h7-8,10H,3-6H2,1-2H3"	"DZARITHRMKPIQB-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"28772-56-7"	"DTXSID9032589"	"Bromadiolone"	"EPA_DSSTox"	"OC1C2C=CC=CC=2OC(=O)C=1C(CC(O)C1=CC=C(C=C1)C1=CC=C(Br)C=C1)C1=CC=CC=C1"	"?"	"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/h1-17,25-26,32-33H,18H2"	"OWNRRUFOJXFKCU-UHFFFAOYSA-N"	TRUE	FALSE	0.49	1	1
"28782-19-6"	"DTXSID20182958"	"Flavoxate succinate"	"EPA_DSSTox"	"CC1=C(OC2C(=CC=CC=2C(=O)OCCN2CCCCC2)C1=O)C1C=CC=CC=1"	"OC(=O)CCC(O)=O"	"InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3"	"SPIUTQOUKAMGCX-UHFFFAOYSA-N"	FALSE	FALSE	1445	3	4
"28782-42-5"	"DTXSID0022931"	"Difenoxin"	"EPA_DSSTox"	"N#CC(CCN1CCC(CC1)(C(O)=O)C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C28H28N2O2/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23/h1-15H,16-21H2,(H,31,32)"	"UFIVBRCCIRTJTN-UHFFFAOYSA-N"	FALSE	FALSE	149	2	3
"28785-06-0"	"DTXSID6067412"	"Benzaldehyde, 4-propyl-"	"EPA_DSSTox"	"CCCC1=CC=C(C=C1)C=O"	"?"	"InChI=1S/C10H12O/c1-2-3-9-4-6-10(8-11)7-5-9/h4-8H,2-3H2,1H3"	"MAUCRURSQMOFGV-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"28789-80-2"	"DTXSID30182969"	"2,2-Dimethyl-2,3-dihydrobenzofuranyl-7-N-dimethoxyphosphinothioyl-N-methylcarbamate"	"EPA_DSSTox"	"CN(C(=O)OC1C=CC=C2CC(C)(C)OC=12)P(=S)(OC)OC"	"?"	"InChI=1S/C14H20NO5PS/c1-14(2)9-10-7-6-8-11(12(10)20-14)19-13(16)15(3)21(22,17-4)18-5/h6-8H,9H2,1-5H3"	"GGQXYZBUENNNRV-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"288-32-4"	"DTXSID2029616"	"Imidazole"	"EPA_DSSTox"	"C1NC=CN=1"	"?"	"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)"	"RAXXELZNTBOGNW-UHFFFAOYSA-N"	FALSE	FALSE	220	2	3
"288-88-0"	"DTXSID6027131"	"1H-1,2,4-Triazole"	"EPA_DSSTox"	"C1=NNC=N1"	"?"	"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)"	"NSPMIYGKQJPBQR-UHFFFAOYSA-N"	FALSE	FALSE	1648	3	4
"28802-49-5"	"DTXSID5073458"	"Furan, dimethyl-"	"EPA_DSSTox"	"CC1C=COC=1C"	"?"	"InChI=1S/C6H8O/c1-5-3-4-7-6(5)2/h3-4H,1-2H3"	"FJSKXQVRKZTKSI-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"28805-78-9"	"DTXSID7042069"	"Isonoruron"	"EPA_DSSTox"	"CN(C)C(=O)NC1CCC2C1C1CC2CC1"	"?"	"InChI=1S/C13H22N2O/c1-15(2)13(16)14-11-6-5-10-8-3-4-9(7-8)12(10)11/h8-12H,3-7H2,1-2H3,(H,14,16)"	"QOBMKVRRANLSMZ-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"2883-98-9"	NA	NA	"Public_CrossChecked"	"CC=CC1C=C(OC)C(=CC=1OC)OC"	"?"	"InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3"	"RKFAZBXYICVSKP-UHFFFAOYSA-N"	FALSE	FALSE	1010	3	4
"2885-39-4"	NA	NA	"Public_CrossChecked"	"CC(=O)OC1(C)CC(C)C(=O)C(C1)C(O)CC1CC(=O)NC(=O)C1"	"?"	"InChI=1S/C17H25NO6/c1-9-7-17(3,24-10(2)19)8-12(16(9)23)13(20)4-11-5-14(21)18-15(22)6-11/h9,11-13,20H,4-8H2,1-3H3,(H,18,21,22)"	"UFDHNJJHPSGMFX-UHFFFAOYSA-N"	TRUE	FALSE	0.158	1	1
"28861-00-9"	"DTXSID10652913"	"N-Carbamoyl-3-methoxy-O,alpha-dimethyl-L-tyrosine"	"EPA_DSSTox"	"CC(CC1C=C(OC)C(=CC=1)OC)(NC(N)=O)C(O)=O"	"?"	"InChI=1S/C13H18N2O5/c1-13(11(16)17,15-12(14)18)7-8-4-5-9(19-2)10(6-8)20-3/h4-6H,7H2,1-3H3,(H,16,17)(H3,14,15,18)"	"ZAWWRCDFZPMIQT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"28874-51-3"	"DTXSID50183074"	"Sodium pidolate"	"EPA_DSSTox"	"OC(=O)C1CCC(=O)N1"	"[Na+]"	"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)"	"ODHCTXKNWHHXJC-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"2889-58-9"	"DTXSID2073308"	"Benzene, 1-(1-isocyanato-1-methylethyl)-4-(1-methylethenyl)-"	"EPA_DSSTox"	"CC(=C)C1=CC=C(C=C1)C(C)(C)N=C=O"	"?"	"InChI=1S/C13H15NO/c1-10(2)11-5-7-12(8-6-11)13(3,4)14-9-15/h5-8H,1H2,2-4H3"	"JRLLJITWABKEKE-UHFFFAOYSA-N"	FALSE	TRUE	4400	3	5
"2890-61-1"	NA	NA	"Public_CrossChecked"	"CC1(CCCCC1)C(=O)Cl"	"?"	"InChI=1S/C8H13ClO/c1-8(7(9)10)5-3-2-4-6-8/h2-6H2,1H3"	"STPXIOFWKOIYHX-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	NA
"28911-01-5"	"DTXSID6046763"	"Triazolam"	"EPA_DSSTox"	"CC1=NN=C2CN=C(C3C=C(Cl)C=CC=3N21)C1C=CC=CC=1Cl"	"?"	"InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3"	"JOFWLTCLBGQGBO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2893-78-9"	"DTXSID3024994"	"Sodium dichloroisocyanurate"	"EPA_DSSTox"	"O=C1N(Cl)C(=O)NC(=O)N1Cl"	"[Na+]"	"InChI=1S/C3HCl2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)"	"CEJLBZWIKQJOAT-UHFFFAOYSA-N"	FALSE	FALSE	1420	3	4
"28950-61-0"	NA	NA	"Public_CrossChecked"	"OS(=O)(=O)C1C=C(C=CC=1C=CC1C=CC(=CC=1S(O)(=O)=O)NC1N=C(NC2C=CC(=CC=2)S(O)(=O)=O)N=C(N=1)N1CCOCC1)NC1=NC(NC2C=CC(=CC=2)S(O)(=O)=O)=NC(=N1)N1CCOCC1"	"[Na+].[Na+].[Na+]"	"InChI=1S/C40H40N12O14S4/c53-67(54,55)31-11-7-27(8-12-31)41-35-45-37(49-39(47-35)51-15-19-65-20-16-51)43-29-5-3-25(33(23-29)69(59,60)61)1-2-26-4-6-30(24-34(26)70(62,63)64)44-38-46-36(48-40(50-38)52-17-21-66-22-18-52)42-28-9-13-32(14-10-28)68(56,57)58/h1-14,23-24H,15-22H2,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,41,43,45,47,49)(H2,42,44,46,48,50)"	"NPURLJROFREPHW-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2896-70-0"	"DTXSID4044905"	"(2,2,6,6-Tetramethyl-4-oxopiperidin-1-yl)oxidanyl"	"EPA_DSSTox"	"CC1(C)CC(=O)CC(C)(C)N1O"	"?"	"InChI=1S/C9H17NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h12H,5-6H2,1-4H3"	"KMEUSKGEUADGET-UHFFFAOYSA-N"	FALSE	FALSE	1464	3	4
"28968-05-0"	NA	NA	"Public_CrossChecked"	"OC(=O)C1CCC2=CC(=CC=C21)C1CCCCC1"	"?"	"InChI=1S/C16H20O2/c17-16(18)15-9-7-13-10-12(6-8-14(13)15)11-4-2-1-3-5-11/h6,8,10-11,15H,1-5,7,9H2,(H,17,18)"	"BKEWDCUQDVDPHC-UHFFFAOYSA-N"	FALSE	FALSE	287	2	3
"28968-07-2"	NA	NA	"Public_CrossChecked"	"OC(=O)C1CCC2=CC(C3CCCCC3)=C(Cl)C=C21"	"?"	"InChI=1S/C16H19ClO2/c17-15-9-13-11(6-7-12(13)16(18)19)8-14(15)10-4-2-1-3-5-10/h8-10,12H,1-7H2,(H,18,19)"	"OIRAEJWYWSAQNG-UHFFFAOYSA-N"	TRUE	FALSE	41	1	2
"28968-09-4"	NA	NA	"Public_CrossChecked"	"OC(=O)C1CCC2=CC(C3CCCCC3)=C(Cl)C=C21"	"?"	"InChI=1S/C16H19ClO2/c17-15-9-13-11(6-7-12(13)16(18)19)8-14(15)10-4-2-1-3-5-10/h8-10,12H,1-7H2,(H,18,19)"	"OIRAEJWYWSAQNG-UHFFFAOYSA-N"	TRUE	FALSE	35	1	2
"2898-11-5"	NA	NA	"Public_CrossChecked"	"CN1CCN=C(C2=CC(Cl)=CC=C12)C1C=CC=CC=1"	"Cl"	"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"	FALSE	FALSE	900	3	4
"2898-12-6"	"DTXSID1048708"	"Medazepam"	"EPA_DSSTox"	"CN1CCN=C(C2C=C(Cl)C=CC1=2)C1C=CC=CC=1"	"?"	"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"	FALSE	FALSE	900	3	4
"28998-48-3"	NA	NA	"Public_CrossChecked"	"OC1C=C2C(CCC2=CC=1C1CCCCC1)C(O)=O"	"?"	"InChI=1S/C16H20O3/c17-15-9-13-11(6-7-12(13)16(18)19)8-14(15)10-4-2-1-3-5-10/h8-10,12,17H,1-7H2,(H,18,19)"	"WSKCLYSPBODMHR-UHFFFAOYSA-N"	FALSE	FALSE	450	2	4
"28998-50-7"	NA	NA	"Public_CrossChecked"	"COC(=O)C1CCC2=CC(=CC=C21)C1CCCCC1"	"?"	"InChI=1S/C17H22O2/c1-19-17(18)16-10-8-14-11-13(7-9-15(14)16)12-5-3-2-4-6-12/h7,9,11-12,16H,2-6,8,10H2,1H3"	"CPBGSLIVFJMDAK-UHFFFAOYSA-N"	FALSE	FALSE	410	2	4
"28998-51-8"	NA	NA	"Public_CrossChecked"	"COC(=O)C1CCC2=CC(=CC=C21)C1CCCCC1"	"?"	"InChI=1S/C17H22O2/c1-19-17(18)16-10-8-14-11-13(7-9-15(14)16)12-5-3-2-4-6-12/h7,9,11-12,16H,2-6,8,10H2,1H3"	"CPBGSLIVFJMDAK-UHFFFAOYSA-N"	FALSE	FALSE	254	2	3
"2901-13-5"	"DTXSID90282994"	"ethyl 2-methyl-2-phenylpropanoate"	"EPA_DSSTox"	"CC(C)(C(=O)OCC)C1C=CC=CC=1"	"?"	"InChI=1S/C12H16O2/c1-4-14-11(13)12(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3"	"OFYSAFPKXXTYLU-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"29026-74-2"	"DTXSID20183268"	"2-Isopropoxyaniline"	"EPA_DSSTox"	"CC(C)OC1C=CC=CC=1N"	"?"	"InChI=1S/C9H13NO/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7H,10H2,1-2H3"	"PZOZYLSYQJYXBI-UHFFFAOYSA-N"	FALSE	FALSE	840	3	4
"2905-62-6"	"DTXSID1027506"	"3,5-Dichlorobenzoyl chloride"	"EPA_DSSTox"	"O=C(Cl)C1C=C(Cl)C=C(Cl)C=1"	"?"	"InChI=1S/C7H3Cl3O/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H"	"GGHLXLVPNZMBQR-UHFFFAOYSA-N"	FALSE	FALSE	794	3	4
"29050-11-1"	NA	NA	"Public_CrossChecked"	"O=C1C2=CC(Cl)=CC=C2OC2CCON12"	"?"	"InChI=1S/C10H8ClNO3/c11-6-1-2-8-7(5-6)10(13)12-9(15-8)3-4-14-12/h1-2,5,9H,3-4H2"	"XWXVKXXKKLBDDJ-UHFFFAOYSA-N"	FALSE	FALSE	1550	3	4
"29053-27-8"	NA	NA	"Public_CrossChecked"	"CC1CC2OC3C=CC(Cl)=CC=3C(=O)N2O1"	"?"	"InChI=1S/C11H10ClNO3/c1-6-4-10-13(16-6)11(14)8-5-7(12)2-3-9(8)15-10/h2-3,5-6,10H,4H2,1H3"	"OJGJQQNLRVNIKE-UHFFFAOYSA-N"	FALSE	FALSE	1160	3	4
"29069-24-7"	"DTXSID4021183"	"Prednimustine"	"EPA_DSSTox"	"CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCCC1C=CC(=CC=1)N(CCCl)CCCl"	"?"	"InChI=1S/C35H45Cl2NO6/c1-33-14-12-26(39)20-24(33)8-11-27-28-13-15-35(43,34(28,2)21-29(40)32(27)33)30(41)22-44-31(42)5-3-4-23-6-9-25(10-7-23)38(18-16-36)19-17-37/h6-7,9-10,12,14,20,27-29,32,40,43H,3-5,8,11,13,15-19,21-22H2,1-2H3"	"HFVNWDWLWUCIHC-UHFFFAOYSA-N"	FALSE	FALSE	530	3	4
"29075-61-4"	NA	NA	"Public_CrossChecked"	"CN1CCC(CC1)OC(=O)C1CCC2=CC(=CC=C21)C1CCCCC1"	"Cl"	"InChI=1S/C22H31NO2/c1-23-13-11-19(12-14-23)25-22(24)21-10-8-18-15-17(7-9-20(18)21)16-5-3-2-4-6-16/h7,9,15-16,19,21H,2-6,8,10-14H2,1H3"	"DSRADALGQABRKM-UHFFFAOYSA-N"	FALSE	FALSE	572	3	4
"29110-48-3"	NA	NA	"Public_CrossChecked"	"NC(=N)NC(=O)CC1C(Cl)=CC=CC=1Cl"	"Cl"	"InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)"	"INJOMKTZOLKMBF-UHFFFAOYSA-N"	FALSE	FALSE	142	2	3
"29122-60-9"	NA	NA	"Public_CrossChecked"	"CC(CC)C(CN1CCCCC1)C1C=C(Cl)C=CC=1OCC"	"?"	"InChI=1S/C19H30ClNO/c1-4-15(3)18(14-21-11-7-6-8-12-21)17-13-16(20)9-10-19(17)22-5-2/h9-10,13,15,18H,4-8,11-12,14H2,1-3H3"	"ZVBWFFQRJPHKFY-UHFFFAOYSA-N"	FALSE	FALSE	445	2	4
"29122-68-7"	"DTXSID2022628"	"Atenolol"	"EPA_DSSTox"	"CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1"	"?"	"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"	FALSE	TRUE	3000	3	5
"2915-52-8"	"DTXSID6062705"	"2-Butenedioic acid (2Z)-, didodecyl ester"	"EPA_DSSTox"	"CCCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCC"	"?"	"InChI=1S/C28H52O4/c1-3-5-7-9-11-13-15-17-19-21-25-31-27(29)23-24-28(30)32-26-22-20-18-16-14-12-10-8-6-4-2/h23-24H,3-22,25-26H2,1-2H3"	"HEJZJSIRBLOWPD-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"2915-53-9"	"DTXSID1027508"	"2-Butenedioic acid (2Z)-, dioctyl ester"	"EPA_DSSTox"	"CCCCCCCCOC(=O)C=CC(=O)OCCCCCCCC"	"?"	"InChI=1S/C20H36O4/c1-3-5-7-9-11-13-17-23-19(21)15-16-20(22)24-18-14-12-10-8-6-4-2/h15-16H,3-14,17-18H2,1-2H3"	"TVWTZAGVNBPXHU-UHFFFAOYSA-N"	FALSE	TRUE	14200	4	5
"2915-57-3"	"DTXSID60863057"	"Butanedioic acid, 1,4-bis(2-ethylhexyl) ester"	"EPA_DSSTox"	"CCCCC(COC(=O)CCC(=O)OCC(CCCC)CC)CC"	"?"	"InChI=1S/C20H38O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3"	"WMNULTDOANGXRT-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"2915-72-2"	"DTXSID1062706"	"Benzoic acid, dodecyl ester"	"EPA_DSSTox"	"CCCCCCCCCCCCOC(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-14-17-21-19(20)18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3"	"DLAHAXOYRFRPFQ-UHFFFAOYSA-N"	FALSE	TRUE	34500	4	5
"2917-19-3"	NA	NA	"Public_CrossChecked"	"CCC(C)C1=CC(OC(=O)NC)=C(Cl)C=C1"	"?"	"InChI=1S/C12H16ClNO2/c1-4-8(2)9-5-6-10(13)11(7-9)16-12(15)14-3/h5-8H,4H2,1-3H3,(H,14,15)"	"UMLPZOSFQDBWHB-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"29171-21-9"	"DTXSID00865474"	"6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-acetate"	"EPA_DSSTox"	"CC(C)=CCCC(C)(C#C)OC(C)=O"	"?"	"InChI=1S/C12H18O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h1,8H,7,9H2,2-5H3"	"JNVHVDDAOGRVDT-UHFFFAOYSA-N"	FALSE	TRUE	9618	4	5
"29173-31-7"	"DTXSID5042118"	"Mecarphon"	"EPA_DSSTox"	"COP(C)(=S)SCC(=O)N(C)C(=O)OC"	"?"	"InChI=1S/C7H14NO4PS2/c1-8(7(10)11-2)6(9)5-15-13(4,14)12-3/h5H2,1-4H3"	"PUTUPQVEMBRCAG-UHFFFAOYSA-N"	FALSE	FALSE	57	2	3
"29177-84-2"	NA	NA	"Public_CrossChecked"	"CCOC(=O)C1N=C(C2C=C(Cl)C=CC=2NC1=O)C1C=CC=CC=1F"	"?"	"InChI=1S/C18H14ClFN2O3/c1-2-25-18(24)16-17(23)21-14-8-7-10(19)9-12(14)15(22-16)11-5-3-4-6-13(11)20/h3-9,16H,2H2,1H3,(H,21,23)"	"CUCHJCMWNFEYOM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"29181-23-5"	NA	NA	"Public_CrossChecked"	"CC(C)NCC(O)COC1C=CC=CC=1OCC=C"	"Cl"	"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"	FALSE	FALSE	760	3	4
"2921-88-2"	"DTXSID4020458"	"Chlorpyrifos"	"EPA_DSSTox"	"CCOP(=S)(OC1=NC(Cl)=C(Cl)C=C1Cl)OCC"	"?"	"InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3"	"SBPBAQFWLVIOKP-UHFFFAOYSA-N"	FALSE	FALSE	108	2	3
"29214-60-6"	"DTXSID3051969"	"Ethyl 2-acetyloctanoate"	"EPA_DSSTox"	"CC(=O)C(CCCCCC)C(=O)OCC"	"?"	"InChI=1S/C12H22O3/c1-4-6-7-8-9-11(10(3)13)12(14)15-5-2/h11H,4-9H2,1-3H3"	"BRGRZPQESQKATK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"29214-81-1"	"DTXSID10183474"	"Urea, 1,3-diisobutyl-2-thio-"	"EPA_DSSTox"	"CC(C)CNC(=S)NCC(C)C"	"?"	"InChI=1S/C9H20N2S/c1-7(2)5-10-9(12)11-6-8(3)4/h7-8H,5-6H2,1-4H3,(H2,10,11,12)"	"YFIXICPADGNMGZ-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"29216-28-2"	"DTXSID8023262"	"Mequitazine"	"EPA_DSSTox"	"C1C(CN2C3C=CC=CC=3SC3=CC=CC=C23)C2CCN1CC2"	"?"	"InChI=1S/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2"	"HOKDBMAJZXIPGC-UHFFFAOYSA-N"	FALSE	FALSE	245	2	3
"29218-27-7"	"DTXSID40865478"	"Toloxatone"	"EPA_DSSTox"	"CC1C=C(C=CC=1)N1CC(CO)OC1=O"	"?"	"InChI=1S/C11H13NO3/c1-8-3-2-4-9(5-8)12-6-10(7-13)15-11(12)14/h2-5,10,13H,6-7H2,1H3"	"MXUNKHLAEDCYJL-UHFFFAOYSA-N"	FALSE	FALSE	1225	3	4
"2922-54-5"	"DTXSID4020907"	"Monosodium succinate"	"EPA_DSSTox"	"OC(=O)CCC(O)=O"	"[Na+]"	"InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)"	"KDYFGRWQOYBRFD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"29232-93-7"	"DTXSID0024266"	"Pirimiphos-methyl"	"EPA_DSSTox"	"CC1C=C(N=C(N=1)N(CC)CC)OP(=S)(OC)OC"	"?"	"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"	FALSE	FALSE	1250	3	4
"2929-87-5"	"DTXSID40183543"	"Boric acid, (2,6-di-tert-butyl-p-tolyl) diisopropyl ester"	"EPA_DSSTox"	"CC1C=C(C(OB(OC(C)C)OC(C)C)=C(C=1)C(C)(C)C)C(C)(C)C"	"?"	"InChI=1S/C21H37BO3/c1-14(2)23-22(24-15(3)4)25-19-17(20(6,7)8)12-16(5)13-18(19)21(9,10)11/h12-15H,1-11H3"	"DUVZAERRPMFJPA-UHFFFAOYSA-N"	FALSE	TRUE	5200	4	5
"29329-71-3"	"DTXSID8027953"	"Phosphonic acid, (1-hydroxyethylidene)bis-, sodium salt"	"EPA_DSSTox"	"CC(O)(P(O)(O)=O)P(O)(O)=O"	"[Na+]"	"InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)"	"DBVJJBKOTRCVKF-UHFFFAOYSA-N"	FALSE	TRUE	3550	3	5
"2935-44-6"	"DTXSID50871000"	"2,5-Hexanediol"	"EPA_DSSTox"	"CC(O)CCC(C)O"	"?"	"InChI=1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3"	"OHMBHFSEKCCCBW-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"2935-90-2"	"DTXSID6027509"	"Methyl 3-sulfanylpropanoate"	"EPA_DSSTox"	"COC(=O)CCS"	"?"	"InChI=1S/C4H8O2S/c1-6-4(5)2-3-7/h7H,2-3H2,1H3"	"LDTLDBDUBGAEDT-UHFFFAOYSA-N"	FALSE	FALSE	181.7	2	3
"2937-50-0"	"DTXSID2051972"	"Allyl chloroformate"	"EPA_DSSTox"	"C=CCOC(=O)Cl"	"?"	"InChI=1S/C4H5ClO2/c1-2-3-7-4(5)6/h2H,1,3H2"	"CAEWJEXPFKNBQL-UHFFFAOYSA-N"	FALSE	FALSE	244	2	3
"294-93-9"	"DTXSID6059780"	"1,4,7,10-Tetraoxacyclododecane"	"EPA_DSSTox"	"C1COCCOCCOCCO1"	"?"	"InChI=1S/C8H16O4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2"	"XQQZRZQVBFHBHL-UHFFFAOYSA-N"	FALSE	TRUE	2830	3	5
"2941-55-1"	"DTXSID6041925"	"Ethiolate"	"EPA_DSSTox"	"CCSC(=O)N(CC)CC"	"?"	"InChI=1S/C7H15NOS/c1-4-8(5-2)7(9)10-6-3/h4-6H2,1-3H3"	"WARIWGPBHKPYON-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"29427-58-5"	"DTXSID1067467"	"Carbamimidic acid, methyl ester, sulfate (1:1)"	"EPA_DSSTox"	"[H]/N=C(\N)/OC"	"S(=O)(=O)(O)O"	"InChI=1S/C2H6N2O/c1-5-2(3)4/h1H3,(H3,3,4)"	"RMAHPRNLQIRHIJ-UHFFFAOYSA-N"	FALSE	TRUE	3700	3	5
"29457-72-5"	"DTXSID2032421"	"Lithium perfluorooctane sulfonate"	"EPA_DSSTox"	"OS(=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"	"[Li+]"	"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"	FALSE	FALSE	154	2	3
"2949-22-6"	"DTXSID3062738"	"Acetic acid, isocyanato-, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)CN=C=O"	"?"	"InChI=1S/C5H7NO3/c1-2-9-5(8)3-6-4-7/h2-3H2,1H3"	"DUVOZUPPHBRJJO-UHFFFAOYSA-N"	FALSE	FALSE	1130	3	4
"2953-29-9"	"DTXSID2042226"	"O,O,S- Trimethyl dithiophosphate"	"EPA_DSSTox"	"CSP(=S)(OC)OC"	"?"	"InChI=1S/C3H9O2PS2/c1-4-6(7,5-2)8-3/h1-3H3"	"ILDHFYGNYDICFB-UHFFFAOYSA-N"	TRUE	FALSE	15	1	2
"2955-38-6"	"DTXSID4021181"	"Prazepam"	"EPA_DSSTox"	"O=C1CN=C(C2C=C(Cl)C=CC=2N1CC1CC1)C1C=CC=CC=1"	"?"	"InChI=1S/C19H17ClN2O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)21-11-18(23)22(17)12-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2"	"MWQCHHACWWAQLJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"29560-84-7"	"DTXSID5041481"	"3-Chloro-2-propen-1-ol"	"EPA_DSSTox"	"OCC=CCl"	"?"	"InChI=1S/C3H5ClO/c4-2-1-3-5/h1-2,5H,3H2"	"HJGHXDNIPAWLLE-UHFFFAOYSA-N"	FALSE	FALSE	102	2	3
"295800-70-3"	"DTXSID50630134"	"1,4-Bis[(2-ethylhexyl)amino]-5,8-dihydroxyanthracene-9,10-dione"	"EPA_DSSTox"	"CCCCC(CNC1=CC=C(NCC(CCCC)CC)C2=C1C(=O)C1C(C2=O)=C(O)C=CC=1O)CC"	"?"	"InChI=1S/C30H42N2O4/c1-5-9-11-19(7-3)17-31-21-13-14-22(32-18-20(8-4)12-10-6-2)26-25(21)29(35)27-23(33)15-16-24(34)28(27)30(26)36/h13-16,19-20,31-34H,5-12,17-18H2,1-4H3"	"HJPZLFBZKDXVOA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"29590-42-9"	NA	NA	"Public_CrossChecked"	"CC(C)CCCCCOC(=O)C=C"	"?"	"InChI=1S/C11H20O2/c1-4-11(12)13-9-7-5-6-8-10(2)3/h4,10H,1,5-9H2,2-3H3"	"DXPPIEDUBFUSEZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"29597-36-2"	"DTXSID30860119"	"2H-2a,7-Methanoazuleno[5,6-b]oxirene, octahydro-3,6,6,7a-tetramethyl-"	"EPA_DSSTox"	"CC1(C)C2CC3(CC4OC42C)C1CCC3C"	"?"	"InChI=1S/C15H24O/c1-9-5-6-10-13(2,3)11-7-15(9,10)8-12-14(11,4)16-12/h9-12H,5-8H2,1-4H3"	"HZRFVTRTTXBHSE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2961-61-7"	"DTXSID3042055"	"Ioxynil-lithium"	"EPA_DSSTox"	"N#CC1=CC(I)=C(O)C(I)=C1"	"[Li+]"	"InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H"	"NRXQIUSYPAHGNM-UHFFFAOYSA-N"	FALSE	FALSE	71	2	3
"2961-62-8"	"DTXSID0058354"	"Ioxynil sodium"	"EPA_DSSTox"	"N#CC1=CC(I)=C(O)C(I)=C1"	"[Na+]"	"InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H"	"NRXQIUSYPAHGNM-UHFFFAOYSA-N"	FALSE	FALSE	112	2	3
"2961-68-4"	"DTXSID5058355"	"Bromoxynil potassium salt (1:1)"	"EPA_DSSTox"	"N#CC1=CC(Br)=C(O)C(Br)=C1"	"[K+]"	"InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H"	"UPMXNNIRAGDFEH-UHFFFAOYSA-N"	FALSE	FALSE	130	2	3
"29632-98-2"	NA	NA	"Public_CrossChecked"	"OC1C=C(C(O)=CC=1)S(O)(=O)=O"	"[Na+]"	"InChI=1S/C6H6O5S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3,7-8H,(H,9,10,11)"	"IKQCSJBQLWJEPU-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"2964-06-9"	NA	NA	"Public_CrossChecked"	"CC(C)CC(C)C1(CC)C(=O)NC(=O)NC1=O"	"?"	"InChI=1S/C12H20N2O3/c1-5-12(8(4)6-7(2)3)9(15)13-11(17)14-10(12)16/h7-8H,5-6H2,1-4H3,(H2,13,14,15,16,17)"	"KXHLANWWTKSOMW-UHFFFAOYSA-N"	FALSE	FALSE	75	2	3
"29670-17-5"	NA	NA	"Public_CrossChecked"	"CC(N)CSC1C=CC(Cl)=CC=1"	"Cl"	"InChI=1S/C9H12ClNS/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5,7H,6,11H2,1H3"	"MKEHXNREBXQVOL-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"29689-00-7"	"DTXSID60183843"	"Phosphorothioic acid, O,O-diethyl O-(2-nitrophenyl) ester"	"EPA_DSSTox"	"CCOP(=S)(OC1C=CC=CC=1[N+]([O-])=O)OCC"	"?"	"InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-8-6-5-7-9(10)11(12)13/h5-8H,3-4H2,1-2H3"	"BEYPOCXGNMSRCY-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"297-78-9"	"DTXSID3021306"	"Isobenzan"	"EPA_DSSTox"	"ClC1(Cl)C2(Cl)C3C(C(Cl)OC3Cl)C1(Cl)C(Cl)=C2Cl"	"?"	"InChI=1S/C9H4Cl8O/c10-3-4(11)8(15)2-1(5(12)18-6(2)13)7(3,14)9(8,16)17/h1-2,5-6H"	"LRWHHSXTGZSMSN-UHFFFAOYSA-N"	TRUE	FALSE	4.8	1	1
"297-90-5"	NA	NA	"Public_CrossChecked"	"CN1CCC23CCCCC2C1CC1=CC=C(O)C=C31"	"?"	"InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3"	"JAQUASYNZVUNQP-UHFFFAOYSA-N"	FALSE	FALSE	350	2	4
"297-97-2"	"DTXSID8042470"	"Thionazin"	"EPA_DSSTox"	"CCOP(=S)(OC1C=NC=CN=1)OCC"	"?"	"InChI=1S/C8H13N2O3PS/c1-3-11-14(15,12-4-2)13-8-7-9-5-6-10-8/h5-7H,3-4H2,1-2H3"	"IRVDMKJLOCGUBJ-UHFFFAOYSA-N"	TRUE	FALSE	3.5	1	1
"29701-07-3"	"DTXSID8048739"	"Bekanamycin sulfate"	"EPA_DSSTox"	"NCC1OC(OC2C(O)C(OC3OC(CO)C(O)C(N)C3O)C(N)CC2N)C(N)C(O)C1O"	"S(=O)(=O)(O)O"	"InChI=1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2"	"SKKLOUVUUNMCJE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"2971-38-2"	"DTXSID6041345"	"2,4-D chlorocrotyl ester"	"EPA_DSSTox"	"O=C(COC1C=CC(Cl)=CC=1Cl)OCC=CCCl"	"?"	"InChI=1S/C12H11Cl3O3/c13-5-1-2-6-17-12(16)8-18-11-4-3-9(14)7-10(11)15/h1-4,7H,5-6,8H2"	"NEVMZYLKPFGDJB-UHFFFAOYSA-N"	FALSE	FALSE	547	3	4
"29717-26-8"	"DTXSID20183864"	"Phenolphthalein, tetraiodo-"	"EPA_DSSTox"	"OC1C=CC(=CC=1)C1(OC(=O)C2C1=C(I)C(I)=C(I)C=2I)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C20H10I4O4/c21-15-13-14(16(22)18(24)17(15)23)20(28-19(13)27,9-1-5-11(25)6-2-9)10-3-7-12(26)8-4-10/h1-8,25-26H"	"QROHRCGRGMYXAB-UHFFFAOYSA-N"	FALSE	TRUE	2800	3	5
"29727-70-6"	"DTXSID40183881"	"2-Naphthalenesulfonic acid, 6-amino-5-sulfomethyl-"	"EPA_DSSTox"	"NC1C=CC2C=C(C=CC=2C=1CS(O)(=O)=O)S(O)(=O)=O"	"?"	"InChI=1S/C11H11NO6S2/c12-11-4-1-7-5-8(20(16,17)18)2-3-9(7)10(11)6-19(13,14)15/h1-5H,6,12H2,(H,13,14,15)(H,16,17,18)"	"FHAPCIVDWNIOPS-UHFFFAOYSA-N"	FALSE	TRUE	9200	4	5
"2975-36-2"	NA	NA	"Public_CrossChecked"	"CN1CC(CN2C3=CC=CC=C3SC3C=CC=CC2=3)CCC1"	"Cl"	"InChI=1S/C19H22N2S/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21/h2-5,8-11,15H,6-7,12-14H2,1H3"	"CBHCDHNUZWWAPP-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"29766-64-1"	NA	NA	"Public_CrossChecked"	"CC1CCCC2N=CC(C(=O)N12)C(=O)OCC"	"?"	"InChI=1S/C12H18N2O3/c1-3-17-12(16)9-7-13-10-6-4-5-8(2)14(10)11(9)15/h7-10H,3-6H2,1-2H3"	"XVQAZPSKXNFCDP-UHFFFAOYSA-N"	FALSE	TRUE	2502	3	5
"2978-58-7"	"DTXSID1062752"	"3-Butyn-2-amine, 2-methyl-"	"EPA_DSSTox"	"CC(C)(N)C#C"	"?"	"InChI=1S/C5H9N/c1-4-5(2,3)6/h1H,6H2,2-3H3"	"VUGCBIWQHSRQBZ-UHFFFAOYSA-N"	FALSE	FALSE	1470	3	4
"2979-26-2"	NA	NA	"Public_CrossChecked"	"CCOC1CCCCC1O"	"?"	"InChI=1S/C8H16O2/c1-2-10-8-6-4-3-5-7(8)9/h7-9H,2-6H2,1H3"	"PKOQGLKMAXRWPD-UHFFFAOYSA-N"	FALSE	FALSE	804	3	4
"298-00-0"	"DTXSID1020855"	"Methyl parathion"	"EPA_DSSTox"	"COP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)OC"	"?"	"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"	TRUE	FALSE	6.01	1	2
"298-01-1"	"DTXSID0058358"	"cis-Mevinphos"	"EPA_DSSTox"	"CC(=CC(=O)OC)OP(=O)(OC)OC"	"?"	"InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3"	"GEPDYQSQVLXLEU-UHFFFAOYSA-N"	TRUE	FALSE	3	1	1
"298-02-2"	"DTXSID4032459"	"Phorate"	"EPA_DSSTox"	"CCSCSP(=S)(OCC)OCC"	"?"	"InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3"	"BULVZWIRKLYCBC-UHFFFAOYSA-N"	TRUE	FALSE	1	1	1
"298-03-3"	"DTXSID7041839"	"Demeton-O"	"EPA_DSSTox"	"CCSCCOP(=S)(OCC)OCC"	"?"	"InChI=1S/C8H19O3PS2/c1-4-9-12(13,10-5-2)11-7-8-14-6-3/h4-8H2,1-3H3"	"DGLIBALSRMUQDD-UHFFFAOYSA-N"	TRUE	FALSE	7.5	1	2
"298-04-4"	"DTXSID0022018"	"Disulfoton"	"EPA_DSSTox"	"CCSCCSP(=S)(OCC)OCC"	"?"	"InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3"	"DOFZAZXDOSGAJZ-UHFFFAOYSA-N"	TRUE	FALSE	1.9	1	1
"298-06-6"	"DTXSID6027133"	"O,O-Diethyl dithiophosphate"	"EPA_DSSTox"	"CCOP(S)(=S)OCC"	"?"	"InChI=1S/C4H11O2PS2/c1-3-5-7(8,9)6-4-2/h3-4H2,1-2H3,(H,8,9)"	"IRDLUHRVLVEUHA-UHFFFAOYSA-N"	FALSE	TRUE	4510	3	5
"298-07-7"	"DTXSID1027134"	"Bis(2-ethylhexyl) phosphate"	"EPA_DSSTox"	"CCCCC(COP(O)(=O)OCC(CCCC)CC)CC"	"?"	"InChI=1S/C16H35O4P/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,17,18)"	"SEGLCEQVOFDUPX-UHFFFAOYSA-N"	FALSE	TRUE	4940	3	5
"298-14-6"	"DTXSID0021177"	"Potassium bicarbonate"	"EPA_DSSTox"	"OC(O)=O"	"[K+]"	"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)"	"BVKZGUZCCUSVTD-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"298-18-0"	"DTXSID9020455"	"dl-Diepoxybutane"	"EPA_DSSTox"	"C1OC1C1CO1"	"?"	"InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2"	"ZFIVKAOQEXOYFY-UHFFFAOYSA-N"	FALSE	FALSE	210	2	3
"298-46-4"	"DTXSID4022731"	"Carbamazepine"	"EPA_DSSTox"	"NC(=O)N1C2=CC=CC=C2C=CC2C=CC=CC1=2"	"?"	"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"	FALSE	FALSE	1957	3	4
"298-57-7"	"DTXSID3022821"	"Cinnarizine"	"EPA_DSSTox"	"C(C=CC1C=CC=CC=1)N1CCN(CC1)C(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2"	"DERZBLKQOCDDDZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"298-59-9"	"DTXSID8020886"	"Methylphenidate hydrochloride"	"EPA_DSSTox"	"COC(=O)C(C1CCCCN1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3"	"DUGOZIWVEXMGBE-UHFFFAOYSA-N"	FALSE	FALSE	350	2	4
"298-81-7"	"DTXSID8020830"	"8-Methoxypsoralen"	"EPA_DSSTox"	"COC1C2OC(=O)C=CC=2C=C2C=COC2=1"	"?"	"InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3"	"QXKHYNVANLEOEG-UHFFFAOYSA-N"	FALSE	FALSE	791	3	4
"29804-22-6"	"DTXSID4035548"	"cis-7,8-Epoxy-2-methyloctadecane"	"EPA_DSSTox"	"CC(C)CCCCC1OC1CCCCCCCCCC"	"?"	"InChI=1S/C19H38O/c1-4-5-6-7-8-9-10-11-15-18-19(20-18)16-13-12-14-17(2)3/h17-19H,4-16H2,1-3H3"	"HFOFYNMWYRXIBP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"29806-73-3"	"DTXSID3027958"	"2-Ethylhexyl hexadecanoate"	"EPA_DSSTox"	"CCCCC(COC(=O)CCCCCCCCCCCCCCC)CC"	"?"	"InChI=1S/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-21-24(25)26-22-23(6-3)20-8-5-2/h23H,4-22H2,1-3H3"	"SFAAOBGYWOUHLU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"29809-48-1"	NA	NA	"Public_CrossChecked"	"COP(N)(=S)SC"	"?"	"InChI=1S/C2H8NOPS2/c1-4-5(3,6)7-2/h1-2H3,(H2,3,6)"	"FZRICVRXKDJRNP-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"2984-66-9"	NA	NA	"Public_CrossChecked"	"CCP(=S)(OC)SC1C=CC(=CC=1)C(C)(C)C"	"?"	"InChI=1S/C13H21OPS2/c1-6-15(16,14-5)17-12-9-7-11(8-10-12)13(2,3)4/h7-10H,6H2,1-5H3"	"VHRBNSDFBAIBIO-UHFFFAOYSA-N"	FALSE	FALSE	180	2	3
"2984-68-1"	NA	NA	"Public_CrossChecked"	"COP(C)(=S)SC1C=CC=CC=1"	"?"	"InChI=1S/C8H11OPS2/c1-9-10(2,11)12-8-6-4-3-5-7-8/h3-7H,1-2H3"	"PVYWTIYKBRDJCB-UHFFFAOYSA-N"	FALSE	FALSE	150	2	3
"2986-17-6"	"DTXSID1062756"	"Thiourea, N,N'-bis(1-methylethyl)-"	"EPA_DSSTox"	"CC(C)NC(=S)NC(C)C"	"?"	"InChI=1S/C7H16N2S/c1-5(2)8-7(10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)"	"KREOCUNMMFZOOS-UHFFFAOYSA-N"	FALSE	FALSE	450	2	4
"29868-97-1"	NA	NA	"Public_CrossChecked"	"CN1CCN(CC(=O)N2C3=NC=CC=C3NC(=O)C3C=CC=CC2=3)CC1"	"Cl.Cl"	"InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)"	"RMHMFHUVIITRHF-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"298692-41-8"	NA	NA	"Public_CrossChecked"	"CC(C)OC(=O)NP(N)(N)=O"	"?"	"InChI=1S/C4H12N3O3P/c1-3(2)10-4(8)7-11(5,6)9/h3H,1-2H3,(H5,5,6,7,8,9)"	"ZARZBWDSUPTESR-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	NA
"2987-46-4"	"DTXSID20183985"	"Thiocyanic acid, p-aminophenyl ester"	"EPA_DSSTox"	"NC1=CC=C(C=C1)SC#N"	"?"	"InChI=1S/C7H6N2S/c8-5-10-7-3-1-6(9)2-4-7/h1-4H,9H2"	"NJYFRQQXXXRJHK-UHFFFAOYSA-N"	FALSE	FALSE	240	2	3
"29886-96-2"	NA	NA	"Public_CrossChecked"	"CC(C)C1=CC=C(CC(C)C(OC)OC)C=C1"	"?"	"InChI=1S/C15H24O2/c1-11(2)14-8-6-13(7-9-14)10-12(3)15(16-4)17-5/h6-9,11-12,15H,10H2,1-5H3"	"ZGNMAGBUXLWHOL-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"299-27-4"	"DTXSID7029617"	"Potassium D-gluconate"	"EPA_DSSTox"	"OCC(O)C(O)C(O)C(O)C(O)=O"	"[K+]"	"InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)"	"RGHNJXZEOKUKBD-UHFFFAOYSA-N"	FALSE	TRUE	10380	4	5
"299-42-3"	"DTXSID0022985"	"Ephedrine"	"EPA_DSSTox"	"CC(NC)C(O)C1C=CC=CC=1"	"?"	"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3"	"KWGRBVOPPLSCSI-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"299-45-6"	NA	NA	"Public_CrossChecked"	"Cc1cc(=O)oc2cc(ccc12)OP(=S)(OCC)OCC"	"?"	"InChI=1S/C14H17O5PS/c1-4-16-20(21,17-5-2)19-11-6-7-12-10(3)8-14(15)18-13(12)9-11/h6-9H,4-5H2,1-3H3"	"KNIUHBNRWZGIQQ-UHFFFAOYSA-N"	TRUE	FALSE	14.7	1	2
"2990-21-8"	"DTXSID40184015"	"1-Propanol, 3,3'-(cyclohexylimino)di-, dimethanesulfonate (ester), hydrochloride"	"EPA_DSSTox"	"CS(=O)(=O)OCCCN(CCCOS(C)(=O)=O)C1CCCCC1"	"Cl"	"InChI=1S/C14H29NO6S2/c1-22(16,17)20-12-6-10-15(14-8-4-3-5-9-14)11-7-13-21-23(2,18)19/h14H,3-13H2,1-2H3"	"KIYWJSMYLPLLDK-UHFFFAOYSA-N"	FALSE	FALSE	375	2	4
"2991-51-7"	"DTXSID3042009"	"Glycine, N-ethyl-N-[(heptadecafluorooctyl)sulfonyl]-, potassium salt"	"EPA_DSSTox"	"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"	"[K+]"	"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"	FALSE	FALSE	619	3	4
"29911-28-2"	"DTXSID8027959"	"1-(2-Butoxy-1-methylethoxy)propan-2-ol"	"EPA_DSSTox"	"CCCCOCC(C)OCC(C)O"	"?"	"InChI=1S/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3"	"CUVLMZNMSPJDON-UHFFFAOYSA-N"	FALSE	TRUE	2610	3	5
"29918-57-8"	NA	NA	"Public_CrossChecked"	"CC(C)OP(O)(=S)OC(C)C"	"[NH4+]"	"InChI=1S/C6H15O3PS/c1-5(2)8-10(7,11)9-6(3)4/h5-6H,1-4H3,(H,7,11)"	"RPSWUJJTYUNDDU-UHFFFAOYSA-N"	FALSE	TRUE	20250	4	5
"2996-92-1"	"DTXSID5040700"	"Trimethoxyphenylsilane"	"EPA_DSSTox"	"CO[Si](OC)(OC)C1C=CC=CC=1"	"?"	"InChI=1S/C9H14O3Si/c1-10-13(11-2,12-3)9-7-5-4-6-8-9/h4-8H,1-3H3"	"ZNOCGWVLWPVKAO-UHFFFAOYSA-N"	FALSE	FALSE	1049	3	4
"2997-92-4"	"DTXSID3049756"	"2,2'-Azobis(2-amidinopropane) dihydrochloride"	"EPA_DSSTox"	"[H]N=C(N)C(C)(C)N=NC(C)(C)C(N)=N[H]"	"Cl.Cl"	"InChI=1S/C8H18N6/c1-7(2,5(9)10)13-14-8(3,4)6(11)12/h1-4H3,(H3,9,10)(H3,11,12)"	"CCTFAOUOYLVUFG-UHFFFAOYSA-N"	FALSE	FALSE	410	2	4
"29973-13-5"	"DTXSID3037545"	"Ethiofencarb"	"EPA_DSSTox"	"CCSCC1C=CC=CC=1OC(=O)NC"	"?"	"InChI=1S/C11H15NO2S/c1-3-15-8-9-6-4-5-7-10(9)14-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)"	"HEZNVIYQEUHLNI-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"29975-16-4"	"DTXSID5020572"	"Estazolam"	"EPA_DSSTox"	"ClC1C=C2C(=NCC3=NN=CN3C2=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2"	"CDCHDCWJMGXXRH-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"300-42-5"	"DTXSID3048865"	"dl-Methamphetamine hydrochloride"	"EPA_DSSTox"	"CNC(C)CC1C=CC=CC=1"	"Cl"	"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"	TRUE	FALSE	29	1	2
"300-57-2"	"DTXSID00861855"	"benzene, 2-propenyl-"	"EPA_DSSTox"	"C=CCC1C=CC=CC=1"	"?"	"InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2"	"HJWLCRVIBGQPNF-UHFFFAOYSA-N"	FALSE	TRUE	5540	4	5
"300-62-9"	"DTXSID4022600"	"Amphetamine"	"EPA_DSSTox"	"CC(N)CC1C=CC=CC=1"	"?"	"InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3"	"KWTSXDURSIMDCE-UHFFFAOYSA-N"	TRUE	FALSE	30	1	2
"300-76-5"	"DTXSID1024209"	"Naled"	"EPA_DSSTox"	"COP(=O)(OC(Br)C(Cl)(Cl)Br)OC"	"?"	"InChI=1S/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3"	"BUYMVQAILCEWRR-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"30007-14-8"	NA	NA	"Public_CrossChecked"	"CC(CC1C=CC=CC=1)NCC1COC2C=CC=CC=2C1=O"	"Cl"	"InChI=1S/C19H21NO2/c1-14(11-15-7-3-2-4-8-15)20-12-16-13-22-18-10-6-5-9-17(18)19(16)21/h2-10,14,16,20H,11-13H2,1H3"	"XCSGWBYVHSJVKU-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"30007-39-7"	NA	NA	"Public_CrossChecked"	"OC1C=CC(CCNCC2CCC3=CC=CC=C3C2=O)=CC=1"	"[Cl-]"	"InChI=1S/C19H21NO2/c21-17-9-5-14(6-10-17)11-12-20-13-16-8-7-15-3-1-2-4-18(15)19(16)22/h1-6,9-10,16,20-21H,7-8,11-13H2"	"PZZOEXPDTYIBPI-UHFFFAOYSA-N"	FALSE	FALSE	650	3	4
"3001-57-8"	NA	NA	"Public_CrossChecked"	"O=S1(=O)CC(Cl)C(Cl)C1"	"?"	"InChI=1S/C4H6Cl2O2S/c5-3-1-9(7,8)2-4(3)6/h3-4H,1-2H2"	"JCUQWSIALJCIEE-UHFFFAOYSA-N"	FALSE	FALSE	482	2	4
"3001-63-6"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(O)CCl"	"[Cl-]"	"InChI=1S/C23H49ClNO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(2,3)22-23(26)21-24/h23,26H,4-22H2,1-3H3/q+1"	"XERREUIGCGXTDG-UHFFFAOYSA-N"	FALSE	TRUE	2590	3	5
"30011-11-1"	"DTXSID70184088"	"Bimetopyrol"	"EPA_DSSTox"	"CC1=CC(=C(N1)C1C=CC(=CC=1)OC)C1C=CC(=CC=1)OC"	"?"	"InChI=1S/C19H19NO2/c1-13-12-18(14-4-8-16(21-2)9-5-14)19(20-13)15-6-10-17(22-3)11-7-15/h4-12,20H,1-3H3"	"WABWKXZHYGHSCI-UHFFFAOYSA-N"	FALSE	FALSE	1800	3	4
"30034-03-8"	"DTXSID2045579"	"Cefamandole sodium"	"EPA_DSSTox"	"CN1N=NN=C1SCC1CSC2C(NC(=O)C(O)C3C=CC=CC=3)C(=O)N2C=1C(O)=O"	"[Na+]"	"InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)"	"OLVCFLKTBJRLHI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3004-70-4"	"DTXSID0041301"	"2-(Diethylamino)-4-(isopropylamino)-6-methoxy-s-triazine"	"EPA_DSSTox"	"COC1=NC(=NC(NC(C)C)=N1)N(CC)CC"	"?"	"InChI=1S/C11H21N5O/c1-6-16(7-2)10-13-9(12-8(3)4)14-11(15-10)17-5/h8H,6-7H2,1-5H3,(H,12,13,14,15)"	"STMMVKNOSKBEEI-UHFFFAOYSA-N"	FALSE	FALSE	885	3	4
"30043-49-3"	"DTXSID8035005"	"Ethidimuron"	"EPA_DSSTox"	"CCS(=O)(=O)C1=NN=C(S1)N(C)C(=O)NC"	"?"	"InChI=1S/C7H12N4O3S2/c1-4-16(13,14)7-10-9-6(15-7)11(3)5(12)8-2/h4H2,1-3H3,(H,8,12)"	"KCOCSOWTADCKOL-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"3006-15-3"	"DTXSID3042392"	"Sodium 1,4-dihexyl sulfosuccinate"	"EPA_DSSTox"	"CCCCCCOC(=O)CC(C(=O)OCCCCCC)S(O)(=O)=O"	"[Na+]"	"InChI=1S/C16H30O7S/c1-3-5-7-9-11-22-15(17)13-14(24(19,20)21)16(18)23-12-10-8-6-4-2/h14H,3-13H2,1-2H3,(H,19,20,21)"	"SOSQXPIKTBUEKF-UHFFFAOYSA-N"	FALSE	FALSE	1750	3	4
"3006-82-4"	"DTXSID0027511"	"Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl ester"	"EPA_DSSTox"	"CCCCC(CC)C(=O)OOC(C)(C)C"	"?"	"InChI=1S/C12H24O3/c1-6-8-9-10(7-2)11(13)14-15-12(3,4)5/h10H,6-9H2,1-5H3"	"WYKYCHHWIJXDAO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3006-86-8"	"DTXSID4044907"	"1,1-Bis(tert-butylperoxy)cyclohexane"	"EPA_DSSTox"	"CC(C)(C)OOC1(CCCCC1)OOC(C)(C)C"	"?"	"InChI=1S/C14H28O4/c1-12(2,3)15-17-14(10-8-7-9-11-14)18-16-13(4,5)6/h7-11H2,1-6H3"	"HSLFISVKRDQEBY-UHFFFAOYSA-N"	FALSE	TRUE	13342	4	5
"30086-84-1"	"DTXSID00184172"	"o-Acetotoluidide, 4'-benzoyl-2-ethoxy-"	"EPA_DSSTox"	"CC1C=C(C=CC=1NC(=O)COCC)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C18H19NO3/c1-3-22-12-17(20)19-16-10-9-15(11-13(16)2)18(21)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,19,20)"	"CHYNXJONVSXYNM-UHFFFAOYSA-N"	FALSE	TRUE	2280	3	5
"30087-33-3"	NA	NA	"Public_CrossChecked"	"CC(C(O)=O)c1cc2c(cc1)oc1ccccc1c2=O"	"?"	"InChI=1S/C16H12O4/c1-9(16(18)19)10-6-7-14-12(8-10)15(17)11-4-2-3-5-13(11)20-14/h2-9H,1H3,(H,18,19)"	"JUCCZCZDAPBGIV-UHFFFAOYSA-N"	FALSE	FALSE	720	3	4
"30087-47-9"	"DTXSID6041971"	"Fenethacarb"	"EPA_DSSTox"	"CNC(=O)OC1C=C(CC)C=C(CC)C=1"	"?"	"InChI=1S/C12H17NO2/c1-4-9-6-10(5-2)8-11(7-9)15-12(14)13-3/h6-8H,4-5H2,1-3H3,(H,13,14)"	"HUNDISMVCBSIKO-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"301-11-1"	"DTXSID8041456"	"2-Thiocyanatoethyl dodecanoate"	"EPA_DSSTox"	"CCCCCCCCCCCC(=O)OCCSC#N"	"?"	"InChI=1S/C15H27NO2S/c1-2-3-4-5-6-7-8-9-10-11-15(17)18-12-13-19-14-16/h2-13H2,1H3"	"DXTLBEQSVNRVKT-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"301-12-2"	"DTXSID8025541"	"Oxydemeton-methyl"	"EPA_DSSTox"	"CCS(=O)CCSP(=O)(OC)OC"	"?"	"InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3"	"PMCVMORKVPSKHZ-UHFFFAOYSA-N"	TRUE	FALSE	48	1	2
"301-13-3"	"DTXSID4026264"	"Tris(2-ethylhexyl) phosphite"	"EPA_DSSTox"	"CCCCC(COP(OCC(CCCC)CC)OCC(CCCC)CC)CC"	"?"	"InChI=1S/C24H51O3P/c1-7-13-16-22(10-4)19-25-28(26-20-23(11-5)17-14-8-2)27-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3"	"ILLOBGFGKYTZRO-UHFFFAOYSA-N"	FALSE	TRUE	6200	4	5
"3010-02-4"	"DTXSID8062781"	"Acetonitrile, (diethylamino)-"	"EPA_DSSTox"	"CCN(CC#N)CC"	"?"	"InChI=1S/C6H12N2/c1-3-8(4-2)6-5-7/h3-4,6H2,1-2H3"	"LVPZSMIBSMMLPI-UHFFFAOYSA-N"	FALSE	FALSE	160	2	3
"30129-27-2"	"DTXSID60184214"	"Anthranilic acid, N-2,3-xylyl-, carvacryl ester"	"EPA_DSSTox"	"CC1=C(C=CC=C1C)NC1C=CC=CC=1C(=O)OC1=CC(=CC=C1C)C(C)C"	"?"	"InChI=1S/C25H27NO2/c1-16(2)20-14-13-18(4)24(15-20)28-25(27)21-10-6-7-11-23(21)26-22-12-8-9-17(3)19(22)5/h6-16,26H,1-5H3"	"IOCWIDDMOJZISX-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"30129-29-4"	"DTXSID80184216"	"Valeric acid, 2-propyl-, thymyl ester"	"EPA_DSSTox"	"CC1C=CC(C(C)C)=C(C=1)OC(=O)C(CCC)CCC"	"?"	"InChI=1S/C18H28O2/c1-6-8-15(9-7-2)18(19)20-17-12-14(5)10-11-16(17)13(3)4/h10-13,15H,6-9H2,1-5H3"	"SJMCEMOUZGZCON-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"30129-30-7"	"DTXSID40184217"	"Valeric acid, 2-propyl-, carvacryl ester"	"EPA_DSSTox"	"CC1=CC=C(C=C1OC(=O)C(CCC)CCC)C(C)C"	"?"	"InChI=1S/C18H28O2/c1-6-8-15(9-7-2)18(19)20-17-12-16(13(3)4)11-10-14(17)5/h10-13,15H,6-9H2,1-5H3"	"IUDMBDWVRIJRDE-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"3016-19-1"	"DTXSID00883936"	"2,4,6-Octatriene, 2,6-dimethyl-, (4E,6E)-"	"EPA_DSSTox"	"CC(C)=CC=CC(C)=CC"	"?"	"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3"	"GQVMHMFBVWSSPF-UHFFFAOYSA-N"	FALSE	FALSE	1900	3	4
"3018-12-0"	"DTXSID3021562"	"Dichloroacetonitrile"	"EPA_DSSTox"	"N#CC(Cl)Cl"	"?"	"InChI=1S/C2HCl2N/c3-2(4)1-5/h2H"	"STZZWJCGRKXEFF-UHFFFAOYSA-N"	FALSE	FALSE	330	2	4
"30194-63-9"	"DTXSID30184266"	"S 1688"	"EPA_DSSTox"	"NC1C=CC(=CC=1)C(=O)NCCN1CCN(CC1)C1C=CC=CN=1"	"?"	"InChI=1S/C18H23N5O/c19-16-6-4-15(5-7-16)18(24)21-9-10-22-11-13-23(14-12-22)17-3-1-2-8-20-17/h1-8H,9-14,19H2,(H,21,24)"	"XAMHDWYQQBLUBL-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"302-17-0"	"DTXSID7020261"	"Chloral hydrate"	"EPA_DSSTox"	"OC(O)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H"	"RNFNDJAIBTYOQL-UHFFFAOYSA-N"	FALSE	FALSE	479	2	4
"302-34-1"	NA	NA	"Public_CrossChecked"	"C=CCC1(C2CCC=C2)C(=O)NC(O)=NC1=O"	"[Na+]"	"InChI=1S/C12H14N2O3/c1-2-7-12(8-5-3-4-6-8)9(15)13-11(17)14-10(12)16/h2-3,5,8H,1,4,6-7H2,(H2,13,14,15,16,17)"	"XOVJAYNMQDTIJD-UHFFFAOYSA-N"	FALSE	FALSE	205	2	3
"302-70-5"	"DTXSID0023375"	"Nitrogen mustard oxide"	"EPA_DSSTox"	"C[N+]([O-])(CCCl)CCCl"	"Cl"	"InChI=1S/C5H11Cl2NO/c1-8(9,4-2-6)5-3-7/h2-5H2,1H3"	"AFLXUQUGROGEFA-UHFFFAOYSA-N"	FALSE	FALSE	60	2	3
"302-79-4"	"DTXSID7021239"	"all-trans-Retinoic acid"	"EPA_DSSTox"	"CC1CCCC(C)(C)C=1C=CC(C)=CC=CC(C)=CC(O)=O"	"?"	"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)"	"SHGAZHPCJJPHSC-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"302-95-4"	"DTXSID5033389"	"Sodium deoxycholate"	"EPA_DSSTox"	"CC(CCC(O)=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C21C"	"[Na+]"	"InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)"	"KXGVEGMKQFWNSR-UHFFFAOYSA-N"	FALSE	FALSE	1370	3	4
"30238-40-5"	NA	NA	"Public_CrossChecked"	"CN1C=C(C(=O)OCC)C(=O)N2C1CCCC2C"	"?"	"InChI=1S/C13H20N2O3/c1-4-18-13(17)10-8-14(3)11-7-5-6-9(2)15(11)12(10)16/h8-9,11H,4-7H2,1-3H3"	"GLHCZAOYBZLTCB-UHFFFAOYSA-N"	FALSE	FALSE	378	2	4
"30238-41-6"	NA	NA	"Public_CrossChecked"	"CC1CCCC2N1C(=O)C(=CN2CC)C(=O)OCC"	"?"	"InChI=1S/C14H22N2O3/c1-4-15-9-11(14(18)19-5-2)13(17)16-10(3)7-6-8-12(15)16/h9-10,12H,4-8H2,1-3H3"	"DZCPIPIKEVVNLF-UHFFFAOYSA-N"	FALSE	FALSE	746	3	4
"3025-30-7"	"DTXSID0041357"	"Ethyl (2E,4Z)-deca-2,4-dienoate"	"EPA_DSSTox"	"CCOC(=O)C=CC=CCCCCC"	"?"	"InChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-11H,3-7H2,1-2H3"	"OPCRGEVPIBLWAY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3027-21-2"	"DTXSID4044909"	"Dimethoxy(methyl)phenylsilane"	"EPA_DSSTox"	"C[Si](OC)(OC)C1C=CC=CC=1"	"?"	"InChI=1S/C9H14O2Si/c1-10-12(3,11-2)9-7-5-4-6-8-9/h4-8H,1-3H3"	"CVQVSVBUMVSJES-UHFFFAOYSA-N"	FALSE	FALSE	892	3	4
"30286-75-0"	"DTXSID0023402"	"Oxitropium bromide"	"EPA_DSSTox"	"CC[N+]1(C)C2CC(CC1C1OC12)OC(=O)C(CO)C1C=CC=CC=1"	"[Br-]"	"InChI=1S/C19H26NO4/c1-3-20(2)15-9-13(10-16(20)18-17(15)24-18)23-19(22)14(11-21)12-7-5-4-6-8-12/h4-8,13-18,21H,3,9-11H2,1-2H3/q+1"	"NVOYVOBDTVTBDX-UHFFFAOYSA-N"	FALSE	TRUE	2250	3	5
"302964-08-5"	"DTXSID20460723"	"N-(2-Chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide"	"EPA_DSSTox"	"CC1N=C(Cl)C=C(NC2=NC=C(S2)C(=O)NC2C(Cl)=CC=CC=2C)N=1"	"?"	"InChI=1S/C16H13Cl2N5OS/c1-8-4-3-5-10(17)14(8)23-15(24)11-7-19-16(25-11)22-13-6-12(18)20-9(2)21-13/h3-7H,1-2H3,(H,23,24)(H,19,20,21,22)"	"LMXUWARKUIELGT-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"303-31-1"	"DTXSID70184386"	"beta-Thalidomide"	"EPA_DSSTox"	"O=C1CC(CC(=O)N1)N1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C13H10N2O4/c16-10-5-7(6-11(17)14-10)15-12(18)8-3-1-2-4-9(8)13(15)19/h1-4,7H,5-6H2,(H,14,16,17)"	"GMEPAZUSFGASQZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"303-45-7"	"DTXSID5023110"	"Gossypol"	"EPA_DSSTox"	"CC1C=C2C(C(C=O)=C(O)C(O)=C2C(C)C)=C(O)C=1C1=C(O)C2=C(C=O)C(O)=C(O)C(C(C)C)=C2C=C1C"	"?"	"InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3"	"QBKSWRVVCFFDOT-UHFFFAOYSA-N"	FALSE	TRUE	2315	3	5
"303-47-9"	"DTXSID7021073"	"Ochratoxin A"	"EPA_DSSTox"	"CC1CC2C(C(=O)O1)=C(O)C(=CC=2Cl)C(=O)NC(CC1C=CC=CC=1)C(O)=O"	"?"	"InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)"	"RWQKHEORZBHNRI-UHFFFAOYSA-N"	TRUE	FALSE	20	1	2
"303-49-1"	"DTXSID6022844"	"Clomipramine"	"EPA_DSSTox"	"CN(C)CCCN1C2C=CC=CC=2CCC2C=CC(Cl)=CC1=2"	"?"	"InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3"	"GDLIGKIOYRNHDA-UHFFFAOYSA-N"	FALSE	FALSE	613	3	4
"303-70-8"	"DTXSID60184390"	"2-Hydroxyimipramine"	"EPA_DSSTox"	"CN(C)CCCN1C2C=CC(O)=CC=2CCC2C=CC=CC1=2"	"?"	"InChI=1S/C19H24N2O/c1-20(2)12-5-13-21-18-7-4-3-6-15(18)8-9-16-14-17(22)10-11-19(16)21/h3-4,6-7,10-11,14,22H,5,8-9,12-13H2,1-2H3"	"ROTCPJFWLNDKHU-UHFFFAOYSA-N"	FALSE	TRUE	2980	3	5
"303-97-9"	NA	NA	"Public_CrossChecked"	"CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1C(=O)C(OC)=C(OC)C(=O)C=1C"	"?"	"InChI=1S/C54H82O4/c1-40(2)22-14-23-41(3)24-15-25-42(4)26-16-27-43(5)28-17-29-44(6)30-18-31-45(7)32-19-33-46(8)34-20-35-47(9)36-21-37-48(10)38-39-50-49(11)51(55)53(57-12)54(58-13)52(50)56/h22,24,26,28,30,32,34,36,38H,14-21,23,25,27,29,31,33,35,37,39H2,1-13H3"	"UUGXJSBPSRROMU-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"3032-55-1"	"DTXSID7051979"	"Trimethylolethane trinitrate"	"EPA_DSSTox"	"CC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O"	"?"	"InChI=1S/C5H9N3O9/c1-5(2-15-6(9)10,3-16-7(11)12)4-17-8(13)14/h2-4H2,1H3"	"IPPYBNCEPZCLNI-UHFFFAOYSA-N"	FALSE	FALSE	1027	3	4
"3034-38-6"	"DTXSID9062803"	"1H-Imidazole, 4-nitro-"	"EPA_DSSTox"	"[O-][N+](=O)C1=CNC=N1"	"?"	"InChI=1S/C3H3N3O2/c7-6(8)3-1-4-2-5-3/h1-2H,(H,4,5)"	"VYDWQPKRHOGLPA-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"3035-45-8"	"DTXSID80184433"	"s-Triazine, 2-isopropylamino-4-methoxy-6-methylamino-"	"EPA_DSSTox"	"CNC1=NC(=NC(NC(C)C)=N1)OC"	"?"	"InChI=1S/C8H15N5O/c1-5(2)10-7-11-6(9-3)12-8(13-7)14-4/h5H,1-4H3,(H2,9,10,11,12,13)"	"UDLNDEWOMCYEIA-UHFFFAOYSA-N"	FALSE	TRUE	2400	3	5
"30392-41-7"	NA	NA	"Public_CrossChecked"	"CC1C=CC(=CC=1)C(=O)OC1C=C(C=CC=1OC(=O)C1C=CC(C)=CC=1)C(O)CNC(C)(C)C"	"?"	"InChI=1S/C28H31NO5/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21/h6-16,23,29-30H,17H2,1-5H3"	"FZGVEKPRDOIXJY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"30399-84-9"	NA	NA	"Public_CrossChecked"	"CC(C)CCCCCCCCCCCCCCC(O)=O"	"?"	"InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)"	"XDOFQFKRPWOURC-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"304-20-1"	"DTXSID1044645"	"Hydralazine hydrochloride"	"EPA_DSSTox"	"NNC1=NN=CC2C=CC=CC=21"	"Cl"	"InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)"	"RPTUSVTUFVMDQK-UHFFFAOYSA-N"	FALSE	FALSE	173	2	3
"304-81-4"	"DTXSID70184482"	"Phenazine oxide"	"EPA_DSSTox"	"[O-][N+]1=C2C=CC=CC2=NC2C=CC=CC1=2"	"?"	"InChI=1S/C12H8N2O/c15-14-11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)14/h1-8H"	"FFISWZPYNKWIRR-UHFFFAOYSA-N"	FALSE	TRUE	6600	4	5
"304-84-7"	"DTXSID3023007"	"Ethamivan"	"EPA_DSSTox"	"COC1C=C(C=CC=1O)C(=O)N(CC)CC"	"?"	"InChI=1S/C12H17NO3/c1-4-13(5-2)12(15)9-6-7-10(14)11(8-9)16-3/h6-8,14H,4-5H2,1-3H3"	"BQJODPIMMWWMFC-UHFFFAOYSA-N"	FALSE	FALSE	154	2	3
"30406-18-9"	"DTXSID90184489"	"Heptanamide, N-hydroxy-"	"EPA_DSSTox"	"CCCCCCC(=O)NO"	"?"	"InChI=1S/C7H15NO2/c1-2-3-4-5-6-7(9)8-10/h10H,2-6H2,1H3,(H,8,9)"	"QLMPWDWLVIWORW-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"3042-84-0"	"DTXSID1041685"	"Brompyrazon"	"EPA_DSSTox"	"NC1C=NN(C(=O)C=1Br)C1C=CC=CC=1"	"?"	"InChI=1S/C10H8BrN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2"	"ODNZLRLWXRXPOH-UHFFFAOYSA-N"	FALSE	TRUE	8500	4	5
"3047-32-3"	"DTXSID8062812"	"3-Oxetanemethanol, 3-ethyl-"	"EPA_DSSTox"	"CCC1(CO)COC1"	"?"	"InChI=1S/C6H12O2/c1-2-6(3-7)4-8-5-6/h7H,2-5H2,1H3"	"UNMJLQGKEDTEKJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"3047-33-4"	"DTXSID3062813"	"1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, trisodium salt"	"EPA_DSSTox"	"O=C1NC(=O)NC(=O)N1"	"[Na+].[Na+].[Na+]"	"InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)"	"ZFSLODLOARCGLH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3048-64-4"	"DTXSID6029250"	"5-Vinyl-2-norbornene"	"EPA_DSSTox"	"C=CC1CC2CC1C=C2"	"?"	"InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7-9H,1,5-6H2"	"INYHZQLKOKTDAI-UHFFFAOYSA-N"	FALSE	TRUE	5239	4	5
"3048-76-8"	NA	NA	"Public_CrossChecked"	"CC1CC2(CC(C)OC2=O)C(=O)O1"	"?"	"InChI=1S/C9H12O4/c1-5-3-9(7(10)12-5)4-6(2)13-8(9)11/h5-6H,3-4H2,1-2H3"	"QAMHNBFRAXJYEI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"30484-77-6"	"DTXSID80184554"	"Flunarizine hydrochloride"	"EPA_DSSTox"	"FC1C=CC(=CC=1)C(C1C=CC(F)=CC=1)N1CCN(CC=CC2C=CC=CC=2)CC1"	"Cl.Cl"	"InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2"	"SMANXXCATUTDDT-UHFFFAOYSA-N"	FALSE	FALSE	503	3	4
"30499-70-8"	"DTXSID3050444"	"Trimethylolpropane, (chloromethyl)oxirane polymer"	"EPA_DSSTox"	"CCC(COCC1CO1)(COCC1CO1)COCC1CO1"	"?"	"InChI=1S/C15H26O6/c1-2-15(9-16-3-12-6-19-12,10-17-4-13-7-20-13)11-18-5-14-8-21-14/h12-14H,2-11H2,1H3"	"QECCQGLIYMMHCR-UHFFFAOYSA-N"	FALSE	TRUE	3398	3	5
"305-03-3"	"DTXSID7020263"	"Chlorambucil"	"EPA_DSSTox"	"OC(=O)CCCC1C=CC(=CC=1)N(CCCl)CCCl"	"?"	"InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)"	"JCKYGMPEJWAADB-UHFFFAOYSA-N"	FALSE	FALSE	76	2	3
"30516-87-1"	"DTXSID8020127"	"3'-Azido-3'-deoxythymidine"	"EPA_DSSTox"	"CC1=CN(C2CC(N=[N+]=N)C(CO)O2)C(=O)NC1=O"	"?"	"InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,11,16H,2,4H2,1H3/p+1"	"GRNUVTSRBRIYIO-UHFFFAOYSA-O"	FALSE	TRUE	3084	3	5
"30544-47-9"	"DTXSID2045448"	"Etofenamate"	"EPA_DSSTox"	"OCCOCCOC(=O)C1C=CC=CC=1NC1C=C(C=CC=1)C(F)(F)F"	"?"	"InChI=1S/C18H18F3NO4/c19-18(20,21)13-4-3-5-14(12-13)22-16-7-2-1-6-15(16)17(24)26-11-10-25-9-8-23/h1-7,12,22-23H,8-11H2"	"XILVEPYQJIOVNB-UHFFFAOYSA-N"	FALSE	FALSE	292	2	3
"30544-61-7"	"DTXSID10184628"	"Clanobutin"	"EPA_DSSTox"	"COC1C=CC(=CC=1)N(CCCC(O)=O)C(=O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C18H18ClNO4/c1-24-16-10-8-15(9-11-16)20(12-2-3-17(21)22)18(23)13-4-6-14(19)7-5-13/h4-11H,2-3,12H2,1H3,(H,21,22)"	"VUPBWNXFSDRWJE-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"30544-68-4"	"DTXSID80184630"	"Butyric acid, 4-(p-chloro-N-(2,4-dimethoxyphenyl)benzamido)-"	"EPA_DSSTox"	"COC1C=C(C=CC=1N(CCCC(O)=O)C(=O)C1C=CC(Cl)=CC=1)OC"	"?"	"InChI=1S/C19H20ClNO5/c1-25-15-9-10-16(17(12-15)26-2)21(11-3-4-18(22)23)19(24)13-5-7-14(20)8-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,22,23)"	"UFDZVKDBCVJSBS-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"30544-71-9"	"DTXSID00184632"	"Butyric acid, 4-(o-chloro-N-2,6-xylylbenzamido)-"	"EPA_DSSTox"	"CC1C=CC=C(C)C=1N(CCCC(O)=O)C(=O)C1C=CC=CC=1Cl"	"?"	"InChI=1S/C19H20ClNO3/c1-13-7-5-8-14(2)18(13)21(12-6-11-17(22)23)19(24)15-9-3-4-10-16(15)20/h3-5,7-10H,6,11-12H2,1-2H3,(H,22,23)"	"QTSWHDYFLYGYLQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"30544-72-0"	"DTXSID60184633"	"Butyric acid, 4-(p-chloro-N-2,6-xylylbenzamido)-"	"EPA_DSSTox"	"CC1C=CC=C(C)C=1N(CCCC(O)=O)C(=O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C19H20ClNO3/c1-13-5-3-6-14(2)18(13)21(12-4-7-17(22)23)19(24)15-8-10-16(20)11-9-15/h3,5-6,8-11H,4,7,12H2,1-2H3,(H,22,23)"	"QRPNRXDOWMDNDM-UHFFFAOYSA-N"	FALSE	FALSE	1900	3	4
"30558-43-1"	"DTXSID9029350"	"Methyl 2-(dimethylamino)-N-hydroxy-2-oxoethanimidothioate"	"EPA_DSSTox"	"CSC(N=O)C(=O)N(C)C"	"?"	"InChI=1S/C5H10N2O2S/c1-7(2)5(8)4(6-9)10-3/h4H,1-3H3"	"UQPCYYMBVGQHQT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3056-17-5"	"DTXSID1023819"	"Stavudine"	"EPA_DSSTox"	"CC1=CN(C2C=CC(CO)O2)C(=O)NC1=O"	"?"	"InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)"	"XNKLLVCARDGLGL-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"3056-93-7"	"DTXSID6051984"	"C.I. Basic Orange 21"	"EPA_DSSTox"	"CC1NC2=CC=CC=C2C=1/C=C/C1=[N+](C)C2=CC=CC=C2C1(C)C"	"[Cl-]"	"InChI=1S/C22H22N2/c1-15-16(17-9-5-7-11-19(17)23-15)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4/h5-14H,1-4H3/p+1"	"HGBBCDZXYIAFHO-UHFFFAOYSA-O"	FALSE	TRUE	2450	3	5
"30560-19-1"	"DTXSID8023846"	"Acephate"	"EPA_DSSTox"	"COP(=O)(NC(C)=O)SC"	"?"	"InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)"	"YASYVMFAVPKPKE-UHFFFAOYSA-N"	FALSE	FALSE	700	3	4
"30560-26-0"	NA	NA	"Public_CrossChecked"	"CCCC(=O)NP(=O)(OC)SC"	"?"	"InChI=1S/C6H14NO3PS/c1-4-5-6(8)7-11(9,10-2)12-3/h4-5H2,1-3H3,(H,7,8,9)"	"DRFWNARXWNRANJ-UHFFFAOYSA-N"	FALSE	FALSE	125	2	3
"30560-27-1"	NA	NA	"Public_CrossChecked"	"CCC(=O)NP(=O)(OC)SC"	"?"	"InChI=1S/C5H12NO3PS/c1-4-5(7)6-10(8,9-2)11-3/h4H2,1-3H3,(H,6,7,8)"	"KENBUSYZHUCSQU-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"30560-28-2"	NA	NA	"Public_CrossChecked"	"COP(=O)(NC(=O)C(C)C)SC"	"?"	"InChI=1S/C6H14NO3PS/c1-5(2)6(8)7-11(9,10-3)12-4/h5H,1-4H3,(H,7,8,9)"	"LGNBMDMPPQKBLR-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"30562-34-6"	"DTXSID7042691"	"Geldanamycin"	"EPA_DSSTox"	"CC1=CC(C)C(O)C(CC(C)CC2=C(OC)C(=O)CC(=NC(=O)C(C)=CC=CC(OC)C1OC(N)=O)C2=O)OC |c:24,26,t:1,19|"	"?"	"InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13,15,17,22-24,26,33H,11-12,14H2,1-7H3,(H2,30,36)/b10-8-,16-9-,18-13-,31-20-"	"QOKDFZYHWJRCPG-CKUKEPPISA-N"	FALSE	TRUE	2500	3	5
"30578-37-1"	"DTXSID00184657"	"Amezinium metilsulfate"	"EPA_DSSTox"	"COC1C=C(N)C=N[N+]=1C1C=CC=CC=1"	"S(OC)([O-])(=O)=O"	"InChI=1S/C11H11N3O/c1-15-11-7-9(12)8-13-14(11)10-5-3-2-4-6-10/h2-8,12H,1H3/p+1"	"VXROHTDSRBRJLN-UHFFFAOYSA-O"	FALSE	FALSE	1330	3	4
"306-07-0"	"DTXSID1044647"	"Pargyline hydrochloride"	"EPA_DSSTox"	"CN(CC#C)CC1C=CC=CC=1"	"Cl"	"InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3"	"DPWPWRLQFGFJFI-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"306-37-6"	"DTXSID6020517"	"1,2-Dimethylhydrazine dihydrochloride"	"EPA_DSSTox"	"CNNC"	"Cl.Cl"	"InChI=1S/C2H8N2/c1-3-4-2/h3-4H,1-2H3"	"DIIIISSCIXVANO-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"306-52-5"	"DTXSID9023700"	"Triclofos"	"EPA_DSSTox"	"OP(O)(=O)OCC(Cl)(Cl)Cl"	"?"	"InChI=1S/C2H4Cl3O4P/c3-2(4,5)1-9-10(6,7)8/h1H2,(H2,6,7,8)"	"YYQRGCZGSFRBAM-UHFFFAOYSA-N"	FALSE	FALSE	850	3	4
"3061-65-2"	"DTXSID40184676"	"Acetic acid, 1-cyanovinyl ester"	"EPA_DSSTox"	"CC(=O)OC(=C)C#N"	"?"	"InChI=1S/C5H5NO2/c1-4(3-6)8-5(2)7/h1H2,2H3"	"LFSHREXVLSTLFB-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"30618-84-9"	"DTXSID2027965"	"Acetic acid, mercapto-, monoester with 1,2,3-propanetriol"	"EPA_DSSTox"	"OCC(CO)OC(=O)CS"	"?"	"InChI=1S/C5H10O4S/c6-1-4(2-7)9-5(8)3-10/h4,6-7,10H,1-3H2"	"OZPCOYXNWPZBFW-UHFFFAOYSA-N"	FALSE	FALSE	172	2	3
"30638-08-5"	"DTXSID4051370"	"Hydrogen [29H,31H-phthalocyaninesulphonato(3-)-N29,N30,N31,N32]cobaltate(1-)"	"EPA_DSSTox"	"OS(=O)(=O)C1=CC2C3N=C4NC(=NC5=NC(=NC6NC(N=C(N=3)C=2C=C1)=C1C=CC=CC1=6)C1C=CC=CC=15)C1C=CC=CC=14 |c:8,11,15,20|"	"[Co+2]"	"InChI=1S/C32H18N8O3S/c41-44(42,43)16-13-14-23-24(15-16)32-39-30-22-12-6-5-11-21(22)28(37-30)35-26-18-8-2-1-7-17(18)25(33-26)34-27-19-9-3-4-10-20(19)29(36-27)38-31(23)40-32/h1-15H,(H,41,42,43)(H2,33,34,35,36,37,38,39,40)"	"OJJPUCYDVKJTJP-UHFFFAOYSA-N"	FALSE	TRUE	3600	3	5
"30652-11-0"	"DTXSID6040666"	"Deferiprone"	"EPA_DSSTox"	"CC1=C(O)C(=O)C=CN1C"	"?"	"InChI=1S/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3"	"TZXKOCQBRNJULO-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"30674-80-7"	"DTXSID6051986"	"2-Isocyanatoethyl methacrylate"	"EPA_DSSTox"	"CC(=C)C(=O)OCCN=C=O"	"?"	"InChI=1S/C7H9NO3/c1-6(2)7(10)11-4-3-8-5-9/h1,3-4H2,2H3"	"RBQRWNWVPQDTJJ-UHFFFAOYSA-N"	FALSE	FALSE	670	3	4
"30677-46-4"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCCCCNCC(C)N"	"?"	"InChI=1S/C15H34N2/c1-3-4-5-6-7-8-9-10-11-12-13-17-14-15(2)16/h15,17H,3-14,16H2,1-2H3"	"DBBZOURVEFUJEW-UHFFFAOYSA-N"	FALSE	FALSE	280	2	3
"30685-43-9"	"DTXSID0023294"	"Methyldigoxin"	"EPA_DSSTox"	"COC1C(O)CC(OC1C)OC1C(O)CC(OC1C)OC1C(O)CC(OC2CCC3(C)C4CC(O)C5(C)C(CCC5(O)C4CCC3C2)C2COC(=O)C=2)OC1C"	"?"	"InChI=1S/C42H66O14/c1-20-37(49-6)29(43)16-35(51-20)55-39-22(3)53-36(18-31(39)45)56-38-21(2)52-34(17-30(38)44)54-25-9-11-40(4)24(14-25)7-8-27-28(40)15-32(46)41(5)26(10-12-42(27,41)48)23-13-33(47)50-19-23/h13,20-22,24-32,34-39,43-46,48H,7-12,14-19H2,1-6H3"	"IYJMSDVSVHDVGT-UHFFFAOYSA-N"	TRUE	FALSE	8.3	1	2
"3069-29-2"	"DTXSID1044649"	"N-{3-[Dimethoxy(methyl)silyl]propyl}ethane-1,2-diamine"	"EPA_DSSTox"	"C[Si](CCCNCCN)(OC)OC"	"?"	"InChI=1S/C8H22N2O2Si/c1-11-13(3,12-2)8-4-6-10-7-5-9/h10H,4-9H2,1-3H3"	"MQWFLKHKWJMCEN-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"30699-99-1"	NA	NA	"Public_CrossChecked"	"C=S"	"?"	"InChI=1S/CH2S/c1-2/h1H2"	"DBTDEFJAFBUGPP-UHFFFAOYSA-N"	FALSE	FALSE	365	2	4
"307-35-7"	"DTXSID5027140"	"1-Octanesulfonyl fluoride, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-"	"EPA_DSSTox"	"O=S(=O)(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/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"	FALSE	FALSE	154	2	3
"3070-16-4"	"DTXSID80184731"	"Demethylfenthion"	"EPA_DSSTox"	"CSC1C=CC(=CC=1)OP(=S)(OC)OC"	"?"	"InChI=1S/C9H13O3PS2/c1-10-13(14,11-2)12-8-4-6-9(15-3)7-5-8/h4-7H,1-3H3"	"WLMKOQQZIYFJQU-UHFFFAOYSA-N"	TRUE	FALSE	10	1	2
"3071-73-6"	"DTXSID10889368"	"1-Naphthalenesulfonic acid, 8-(phenylamino)-5-[2-[4-[2-(5-sulfo-1-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-, sodium salt (1:2)"	"EPA_DSSTox"	"OS(=O)(=O)C1C=CC=C2C(=CC=CC=12)N=NC1C=CC(N=NC2C=CC(NC3C=CC=CC=3)=C3C(=CC=CC=23)S(O)(=O)=O)=C2C=CC=CC=12"	"[Na+].[Na+]"	"InChI=1S/C36H25N5O6S2/c42-48(43,44)34-17-7-13-26-27(34)14-6-16-29(26)38-39-30-19-20-31(25-12-5-4-11-24(25)30)40-41-32-21-22-33(37-23-9-2-1-3-10-23)36-28(32)15-8-18-35(36)49(45,46)47/h1-22,37H,(H,42,43,44)(H,45,46,47)"	"JWRKFFQQNVQJLW-UHFFFAOYSA-N"	FALSE	TRUE	15000	4	5
"30725-71-4"	NA	NA	"Public_CrossChecked"	"CCOP(=S)(OCC)SC[n]1c(=O)oc2ccccc12"	"?"	"InChI=1S/C12H16NO4PS2/c1-3-15-18(19,16-4-2)20-9-13-10-7-5-6-8-11(10)17-12(13)14/h5-8H,3-4,9H2,1-2H3"	"YAAFKGCBOCRHIF-UHFFFAOYSA-N"	FALSE	FALSE	81	2	3
"30746-58-8"	"DTXSID7074030"	"1,2,3,4-Tetrachlorodibenzo-p-dioxin"	"EPA_DSSTox"	"ClC1C2OC3=CC=CC=C3OC=2C(Cl)=C(Cl)C=1Cl"	"?"	"InChI=1S/C12H4Cl4O2/c13-7-8(14)10(16)12-11(9(7)15)17-5-3-1-2-4-6(5)18-12/h1-4H"	"DJHHDLMTUOLVHY-UHFFFAOYSA-N"	TRUE	FALSE	0.8	1	1
"30748-29-9"	"DTXSID3023051"	"Feprazone"	"EPA_DSSTox"	"CC(C)=CCC1C(=O)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O"	"?"	"InChI=1S/C20H20N2O2/c1-15(2)13-14-18-19(23)21(16-9-5-3-6-10-16)22(20(18)24)17-11-7-4-8-12-17/h3-13,18H,14H2,1-2H3"	"RBBWCVQDXDFISW-UHFFFAOYSA-N"	FALSE	FALSE	1343	3	4
"30764-80-8"	NA	NA	"Public_CrossChecked"	"CC(C)(C1C=CC(=CC=1)OC(=O)OCCOC(=O)C(C)=C)C1C=CC(=CC=1)OC(=O)OCCOC(=O)C(C)=C"	"?"	"InChI=1S/C29H32O10/c1-19(2)25(30)34-15-17-36-27(32)38-23-11-7-21(8-12-23)29(5,6)22-9-13-24(14-10-22)39-28(33)37-18-16-35-26(31)20(3)4/h7-14H,1,3,15-18H2,2,4-6H3"	"SXFHOXJWTISVLQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"3081-01-4"	"DTXSID5027516"	"1,4-Benzenediamine, N-(1,4-dimethylpentyl)-N'-phenyl-"	"EPA_DSSTox"	"CC(C)CCC(C)NC1C=CC(=CC=1)NC1C=CC=CC=1"	"?"	"InChI=1S/C19H26N2/c1-15(2)9-10-16(3)20-18-11-13-19(14-12-18)21-17-7-5-4-6-8-17/h4-8,11-16,20-21H,9-10H2,1-3H3"	"UHJVLUYSDYOULM-UHFFFAOYSA-N"	FALSE	TRUE	2100	3	5
"3081-14-9"	"DTXSID2024618"	"N,N'-Bis(1,4-dimethylpentyl)-4-phenylenediamine"	"EPA_DSSTox"	"CC(C)CCC(C)NC1C=CC(=CC=1)NC(C)CCC(C)C"	"?"	"InChI=1S/C20H36N2/c1-15(2)7-9-17(5)21-19-11-13-20(14-12-19)22-18(6)10-8-16(3)4/h11-18,21-22H,7-10H2,1-6H3"	"ZJNLYGOUHDJHMG-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"30817-43-7"	NA	NA	"Public_CrossChecked"	"C[N+]1(CCC(C2C=CC=CC=2)C2CCCCC=2)CCCCC1"	"COS(=O)(=O)[O-]"	"InChI=1S/C21H32N/c1-22(16-9-4-10-17-22)18-15-21(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2,5-6,11-13,21H,3-4,7-10,14-18H2,1H3/q+1"	"BYATXHJLKDIAQU-UHFFFAOYSA-N"	FALSE	FALSE	1700	3	4
"3084-62-6"	NA	NA	"Public_CrossChecked"	"CCCCOC(C)COC(=O)COC1C=C(Cl)C(Cl)=CC=1Cl"	"?"	"InChI=1S/C15H19Cl3O4/c1-3-4-5-20-10(2)8-22-15(19)9-21-14-7-12(17)11(16)6-13(14)18/h6-7,10H,3-5,8-9H2,1-2H3"	"OFYUBGDUYQVZHD-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"309-00-2"	"DTXSID8020040"	"Aldrin"	"EPA_DSSTox"	"ClC1(Cl)C2(Cl)C3C4CC(C=C4)C3C1(Cl)C(Cl)=C2Cl"	"?"	"InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2"	"QBYJBZPUGVGKQQ-UHFFFAOYSA-N"	TRUE	FALSE	39	1	2
"309-43-3"	"DTXSID5022019"	"Secobarbital, sodium salt"	"EPA_DSSTox"	"CCCC(C)C1(CC=C)C(=O)NC(O)=NC1=O"	"[Na+]"	"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"	FALSE	FALSE	125	2	3
"30914-89-7"	NA	NA	"Public_CrossChecked"	"FC(F)(F)C1=CC(=CC=C1)C1CNCCO1"	"?"	"InChI=1S/C11H12F3NO/c12-11(13,14)9-3-1-2-8(6-9)10-7-15-4-5-16-10/h1-3,6,10,15H,4-5,7H2"	"GXPYCYWPUGKQIJ-UHFFFAOYSA-N"	FALSE	FALSE	271	2	3
"3092-17-9"	"DTXSID1047493"	"Midodrine hydrochloride"	"EPA_DSSTox"	"COC1C=CC(=CC=1C(O)CNC(=O)CN)OC"	"Cl"	"InChI=1S/C12H18N2O4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16)"	"PTKSEFOSCHHMPD-UHFFFAOYSA-N"	FALSE	FALSE	68.8	2	3
"3093-35-4"	"DTXSID6045375"	"Halcinonide"	"EPA_DSSTox"	"CC1(C)OC2(C(CC3C4CCC5=CC(=O)CCC5(C)C4(F)C(O)CC23C)O1)C(=O)CCl"	"?"	"InChI=1S/C24H32ClFO5/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,26)17(28)11-22(16,4)24(19,31-20)18(29)12-25/h9,15-17,19,28H,5-8,10-12H2,1-4H3"	"MUQNGPZZQDCDFT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3094-09-5"	"DTXSID2022967"	"Doxifluridine"	"EPA_DSSTox"	"CC1OC(C(O)C1O)N1C=C(F)C(=O)NC1=O"	"?"	"InChI=1S/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)"	"ZWAOHEXOSAUJHY-UHFFFAOYSA-N"	FALSE	TRUE	3390	3	5
"30950-27-7"	NA	NA	"Public_CrossChecked"	"CC(=C)C1CC=C(CC1)CN=O"	"?"	"InChI=1S/C10H15NO/c1-8(2)10-5-3-9(4-6-10)7-11-12/h3,10H,1,4-7H2,2H3"	"ZMMQMQGPFDCZFG-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"30979-48-7"	"DTXSID70184967"	"Isocarbamid [ISO]"	"EPA_DSSTox"	"CC(C)CNC(=O)N1CCNC1=O"	"?"	"InChI=1S/C8H15N3O2/c1-6(2)5-10-8(13)11-4-3-9-7(11)12/h6H,3-5H2,1-2H3,(H,9,12)(H,10,13)"	"SBYAVOHNDJTVPA-UHFFFAOYSA-N"	FALSE	TRUE	3500	3	5
"30989-05-0"	"DTXSID40184974"	"Tris(2-(2-(2-methoxyethoxy)ethoxy)ethyl) orthoborate"	"EPA_DSSTox"	"COCCOCCOCCOB(OCCOCCOCCOC)OCCOCCOCCOC"	"?"	"InChI=1S/C21H45BO12/c1-23-4-7-26-10-13-29-16-19-32-22(33-20-17-30-14-11-27-8-5-24-2)34-21-18-31-15-12-28-9-6-25-3/h4-21H2,1-3H3"	"BYRJZJXBVKUYFH-UHFFFAOYSA-N"	FALSE	NA	NA	NA	NA
"3099-88-5"	NA	NA	"Public_CrossChecked"	"CC1C=CC=CC=1SP(=S)(CC)OCC"	"?"	"InChI=1S/C11H17OPS2/c1-4-12-13(14,5-2)15-11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3"	"BYHHSLDPFVMBTJ-UHFFFAOYSA-N"	TRUE	FALSE	43	1	2
"3101-60-8"	"DTXSID1024702"	"tert-Butyl phenyl glycidyl ether"	"EPA_DSSTox"	"CC(C)(C)C1C=CC(=CC=1)OCC1CO1"	"?"	"InChI=1S/C13H18O2/c1-13(2,3)10-4-6-11(7-5-10)14-8-12-9-15-12/h4-7,12H,8-9H2,1-3H3"	"HHRACYLRBOUBKM-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"3102-00-9"	NA	NA	"Public_CrossChecked"	"CCCCOCC(O)COC1C=CC=CC=1"	"?"	"InChI=1S/C13H20O3/c1-2-3-9-15-10-12(14)11-16-13-7-5-4-6-8-13/h4-8,12,14H,2-3,9-11H2,1H3"	"WBLXZPHICYCDGN-UHFFFAOYSA-N"	FALSE	TRUE	2370	3	5
"31024-56-3"	"DTXSID1067590"	"1-Butanamine, N-[3-(trimethoxysilyl)propyl]-"	"EPA_DSSTox"	"CCCCNCCC[Si](OC)(OC)OC"	"?"	"InChI=1S/C10H25NO3Si/c1-5-6-8-11-9-7-10-15(12-2,13-3)14-4/h11H,5-10H2,1-4H3"	"XCOASYLMDUQBHW-UHFFFAOYSA-N"	FALSE	TRUE	12825	4	5
"31027-31-3"	"DTXSID40184999"	"p-Isopropylphenyl isocyanate"	"EPA_DSSTox"	"CC(C)C1C=CC(=CC=1)N=C=O"	"?"	"InChI=1S/C10H11NO/c1-8(2)9-3-5-10(6-4-9)11-7-12/h3-6,8H,1-2H3"	"PJVRNNRZWASOIT-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"3105-97-3"	"DTXSID9023128"	"Hycanthone"	"EPA_DSSTox"	"CCN(CCNC1=CC=C(CO)C2SC3=CC=CC=C3C(=O)C1=2)CC"	"?"	"InChI=1S/C20H24N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,21,23H,3-4,11-13H2,1-2H3"	"MFZWMTSUNYWVBU-UHFFFAOYSA-N"	FALSE	FALSE	980	3	4
"31080-68-9"	"DTXSID60185029"	"Benzoxazole, 5-chloro-2-methoxy-"	"EPA_DSSTox"	"COC1=NC2=CC(Cl)=CC=C2O1"	"?"	"InChI=1S/C8H6ClNO2/c1-11-8-10-6-4-5(9)2-3-7(6)12-8/h2-4H,1H3"	"SCYNFLAVUZUFTM-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"31093-47-7"	"DTXSID10185039"	"Benzenesulfonic acid, decyl-"	"EPA_DSSTox"	"CCCCCCCCCCC1C=CC=CC=1S(O)(=O)=O"	"?"	"InChI=1S/C16H26O3S/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)20(17,18)19/h10-11,13-14H,2-9,12H2,1H3,(H,17,18,19)"	"UAZLASMTBCLJKO-UHFFFAOYSA-N"	FALSE	TRUE	2320	3	5
"311-44-4"	"DTXSID40185042"	"Phosphoric acid, bis(2-chloroethyl) p-nitrophenyl ester"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC(=CC=1)OP(=O)(OCCCl)OCCCl"	"?"	"InChI=1S/C10H12Cl2NO6P/c11-5-7-17-20(16,18-8-6-12)19-10-3-1-9(2-4-10)13(14)15/h1-4H,5-8H2"	"IDERFWIIXARCJS-UHFFFAOYSA-N"	TRUE	FALSE	37	1	2
"311-45-5"	"DTXSID6024046"	"Paraoxon"	"EPA_DSSTox"	"CCOP(=O)(OC1C=CC(=CC=1)[N+]([O-])=O)OCC"	"?"	"InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3"	"WYMSBXTXOHUIGT-UHFFFAOYSA-N"	TRUE	FALSE	1.8	1	1
"311-47-7"	"DTXSID3075385"	"Phosphoric acid, 2-chloroethenyl diethyl ester"	"EPA_DSSTox"	"CCOP(=O)(OC=CCl)OCC"	"?"	"InChI=1S/C6H12ClO4P/c1-3-9-12(8,10-4-2)11-6-5-7/h5-6H,3-4H2,1-2H3"	"DKMDOBOUUAGJNY-UHFFFAOYSA-N"	TRUE	FALSE	7	1	2
"311-89-7"	"DTXSID0027141"	"Perfluorotributylamine"	"EPA_DSSTox"	"FC(F)(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	"?"	"InChI=1S/C12F27N/c13-1(14,7(25,26)27)4(19,20)10(34,35)40(11(36,37)5(21,22)2(15,16)8(28,29)30)12(38,39)6(23,24)3(17,18)9(31,32)33"	"RVZRBWKZFJCCIB-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3111-71-5"	NA	NA	"Public_CrossChecked"	"OCCN1CCN(CCCN2C3C=CC=CC=3SC3C=CC(Cl)=CC2=3)CC1"	"Cl"	"InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2"	"RGCVKNLCSQQDEP-UHFFFAOYSA-N"	FALSE	FALSE	210	2	3
"31112-62-6"	"DTXSID1023310"	"Metrizamide"	"EPA_DSSTox"	"CC(=O)N(C)C1C(I)=C(C(I)=C(NC(C)=O)C=1I)C(=O)NC1C(O)C(O)C(CO)OC1O"	"?"	"InChI=1S/C18H22I3N3O8/c1-5(26)22-12-9(19)8(10(20)14(11(12)21)24(3)6(2)27)17(30)23-13-16(29)15(28)7(4-25)32-18(13)31/h7,13,15-16,18,25,28-29,31H,4H2,1-3H3,(H,22,26)(H,23,30)"	"BAQCROVBDNBEEB-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3112-85-4"	"DTXSID1075228"	"Benzene, (methylsulfonyl)-"	"EPA_DSSTox"	"CS(=O)(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3"	"JCDWETOKTFWTHA-UHFFFAOYSA-N"	FALSE	FALSE	1470	3	4
"31138-65-5"	"DTXSID7027966"	"D-Gluco-heptonic acid, monosodium salt"	"EPA_DSSTox"	"OCC(O)C(O)C(O)C(O)C(O)C(O)=O"	"[Na+]"	"InChI=1S/C7H14O8/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15/h2-6,8-13H,1H2,(H,14,15)"	"KWMLJOLKUYYJFJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"31139-87-4"	"DTXSID00185068"	"Asverin H"	"EPA_DSSTox"	"CN1CC(CCC1)=C(C1=CC=CS1)C1=CC=CS1"	"O=C(C1C(C(O)=O)=CC=CC=1)C1=CC=C(O)C=C1"	"InChI=1S/C15H17NS2/c1-16-8-2-5-12(11-16)15(13-6-3-9-17-13)14-7-4-10-18-14/h3-4,6-7,9-10H,2,5,8,11H2,1H3"	"JWIXXNLOKOAAQT-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"31143-55-2"	"DTXSID70185075"	"m-Cresol, 6-propyl-"	"EPA_DSSTox"	"CC1C=CC(CCC)=C(O)C=1"	"?"	"InChI=1S/C10H14O/c1-3-4-9-6-5-8(2)7-10(9)11/h5-7,11H,3-4H2,1-2H3"	"NGSJNQJPYFYNJV-UHFFFAOYSA-N"	FALSE	FALSE	730	3	4
"3115-05-7"	"DTXSID9057711"	"Iobenzamic acid"	"EPA_DSSTox"	"NC1=C(I)C(=C(I)C=C1I)C(=O)N(CCC(O)=O)C1C=CC=CC=1"	"?"	"InChI=1S/C16H13I3N2O3/c17-10-8-11(18)15(20)14(19)13(10)16(24)21(7-6-12(22)23)9-4-2-1-3-5-9/h1-5,8H,6-7,20H2,(H,22,23)"	"FJYJNLIEGUTPIJ-UHFFFAOYSA-N"	FALSE	TRUE	2800	3	5
"3115-68-2"	"DTXSID6047945"	"Tetrabutylphosphonium bromide"	"EPA_DSSTox"	"CCCC[P+](CCCC)(CCCC)CCCC"	"[Br-]"	"InChI=1S/C16H36P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1"	"BJQWBACJIAKDTJ-UHFFFAOYSA-N"	FALSE	FALSE	420	2	4
"3120-74-9"	"DTXSID0051996"	"3-Methyl-4-(methylthio)phenol"	"EPA_DSSTox"	"CC1=CC(O)=CC=C1SC"	"?"	"InChI=1S/C8H10OS/c1-6-5-7(9)3-4-8(6)10-2/h3-5,9H,1-2H3"	"VKALYYFVKBXHTF-UHFFFAOYSA-N"	FALSE	TRUE	3400	3	5
"3121-61-7"	"DTXSID7025554"	"2-Methoxyethyl acrylate"	"EPA_DSSTox"	"COCCOC(=O)C=C"	"?"	"InChI=1S/C6H10O3/c1-3-6(7)9-5-4-8-2/h3H,1,4-5H2,2H3"	"HFCUBKYHMMPGBY-UHFFFAOYSA-N"	FALSE	FALSE	404	2	4
"31218-83-4"	"DTXSID7032470"	"Propetamphos"	"EPA_DSSTox"	"CC(=CC(=O)OC(C)C)OP(=S)(NCC)OC"	"?"	"InChI=1S/C10H20NO4PS/c1-6-11-16(17,13-5)15-9(4)7-10(12)14-8(2)3/h7-8H,6H2,1-5H3,(H,11,17)"	"BZNDWPRGXNILMS-UHFFFAOYSA-N"	FALSE	FALSE	59.5	2	3
"31225-17-9"	"DTXSID8067602"	"N-(3,4-Dichlorophenyl)-N'-hydroxyurea"	"EPA_DSSTox"	"ONC(=O)NC1=CC(Cl)=C(Cl)C=C1"	"?"	"InChI=1S/C7H6Cl2N2O2/c8-5-2-1-4(3-6(5)9)10-7(12)11-13/h1-3,13H,(H2,10,11,12)"	"VKYZMAVGJARVPE-UHFFFAOYSA-N"	FALSE	FALSE	1850	3	4
"31230-24-7"	"DTXSID70185151"	"Acetamide, N-(2-methoxycarbonylfuryl)-"	"EPA_DSSTox"	"CC(=O)NC1=CC=C(O1)C(=O)OC"	"?"	"InChI=1S/C8H9NO4/c1-5(10)9-7-4-3-6(13-7)8(11)12-2/h3-4H,1-2H3,(H,9,10)"	"QNNUFCFGWWVMMX-UHFFFAOYSA-N"	FALSE	FALSE	1200	3	4
"31251-03-3"	"DTXSID80185182"	"Fluotrimazole [BSI:ISO]"	"EPA_DSSTox"	"FC(F)(F)C1=CC(=CC=C1)C(C1C=CC=CC=1)(C1C=CC=CC=1)N1C=NC=N1"	"?"	"InChI=1S/C22H16F3N3/c23-22(24,25)20-13-7-12-19(14-20)21(28-16-26-15-27-28,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16H"	"LXMQMMSGERCRSU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"31291-71-1"	NA	NA	"Public_CrossChecked"	"CC1CCCC2=CC=CC=C21"	"?"	"InChI=1S/C11H14/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-3,6,8-9H,4-5,7H2,1H3"	"APBBTKKLSNPFDP-UHFFFAOYSA-N"	FALSE	TRUE	6700	4	5
"313-67-7"	"DTXSID0040969"	"Aristolochic acid"	"EPA_DSSTox"	"COC1=CC=CC2C3=C(C(=CC4OCOC=43)C(O)=O)C(=CC=21)[N+]([O-])=O"	"?"	"InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)"	"BBFQZRXNYIEMAW-UHFFFAOYSA-N"	FALSE	FALSE	184	2	3
"3131-27-9"	"DTXSID60185241"	"3-Pyridinemethanol, 5-hydroxy-4-(methoxymethyl)-6-methyl-, hydrochloride"	"EPA_DSSTox"	"CC1N=CC(CO)=C(COC)C=1O"	"Cl"	"InChI=1S/C9H13NO3/c1-6-9(12)8(5-13-2)7(4-11)3-10-6/h3,11-12H,4-5H2,1-2H3"	"SVINQHQHARVZFF-UHFFFAOYSA-N"	FALSE	TRUE	2150	3	5
"3132-99-8"	"DTXSID4027521"	"3-Bromobenzaldehyde"	"EPA_DSSTox"	"O=CC1C=CC=C(Br)C=1"	"?"	"InChI=1S/C7H5BrO/c8-7-3-1-2-6(4-7)5-9/h1-5H"	"SUISZCALMBHJQX-UHFFFAOYSA-N"	FALSE	FALSE	1126	3	4
"31329-57-4"	"DTXSID3023344"	"Nafronyl"	"EPA_DSSTox"	"CCN(CCOC(=O)C(CC1=CC=CC2C=CC=CC1=2)CC1CCCO1)CC"	"?"	"InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3"	"KBAFPSLPKGSANY-UHFFFAOYSA-N"	FALSE	FALSE	1890	3	4
"31335-41-8"	"DTXSID40185264"	"Sulfone, dichloromethyl trichloromethylthio"	"EPA_DSSTox"	"O=S(=O)(SC(Cl)(Cl)Cl)C(Cl)Cl"	"?"	"InChI=1S/C2HCl5O2S2/c3-1(4)11(8,9)10-2(5,6)7/h1H"	"RTGLSHVKDMQCCC-UHFFFAOYSA-N"	FALSE	TRUE	3620	3	5
"3134-12-1"	"DTXSID2042270"	"Phenobenzuron"	"EPA_DSSTox"	"CN(C)C(=O)N(C1=CC(Cl)=C(Cl)C=C1)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C16H14Cl2N2O2/c1-19(2)16(22)20(12-8-9-13(17)14(18)10-12)15(21)11-6-4-3-5-7-11/h3-10H,1-2H3"	"QQXXYTVEGCOZRF-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"314-40-9"	"DTXSID4022020"	"Bromacil"	"EPA_DSSTox"	"CC1NC(=O)N(C(C)CC)C(=O)C=1Br"	"?"	"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"	FALSE	FALSE	641	3	4
"314-42-1"	"DTXSID2042064"	"Isocil"	"EPA_DSSTox"	"CC1NC(=O)N(C(C)C)C(=O)C=1Br"	"?"	"InChI=1S/C8H11BrN2O2/c1-4(2)11-7(12)6(9)5(3)10-8(11)13/h4H,1-3H3,(H,10,13)"	"PSYBGEADHLUXCS-UHFFFAOYSA-N"	FALSE	TRUE	3400	3	5
"31431-39-7"	"DTXSID4040682"	"Mebendazole"	"EPA_DSSTox"	"COC(=O)NC1NC2C=CC(=CC=2N=1)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)"	"OPXLLQIJSORQAM-UHFFFAOYSA-N"	FALSE	FALSE	714	3	4
"314771-88-5"	"DTXSID90710944"	"N-(3-Chloro-4-fluorophenyl)-6-nitro-7-{[(3S)-oxolan-3-yl]oxy}quinazolin-4-amine"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC2=C(NC3=CC(Cl)=C(F)C=C3)N=CN=C2C=C1OC1COCC1"	"?"	"InChI=1S/C18H14ClFN4O4/c19-13-5-10(1-2-14(13)20)23-18-12-6-16(24(25)26)17(7-15(12)21-9-22-18)28-11-3-4-27-8-11/h1-2,5-7,9,11H,3-4,8H2,(H,21,22,23)"	"UXAZURVGMXJLSO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"3148-72-9"	"DTXSID5044653"	"Glycine, N,N'-(2-hydroxy-1,3-propanediyl)bis[N-(carboxymethyl)-"	"EPA_DSSTox"	"OC(CN(CC(O)=O)CC(O)=O)CN(CC(O)=O)CC(O)=O"	"?"	"InChI=1S/C11H18N2O9/c14-7(1-12(3-8(15)16)4-9(17)18)2-13(5-10(19)20)6-11(21)22/h7,14H,1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)"	"WYMDDFRYORANCC-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"315-18-4"	"DTXSID7020893"	"Mexacarbate"	"EPA_DSSTox"	"CC1C=C(C=C(C)C=1N(C)C)OC(=O)NC"	"?"	"InChI=1S/C12H18N2O2/c1-8-6-10(16-12(15)13-3)7-9(2)11(8)14(4)5/h6-7H,1-5H3,(H,13,15)"	"YNEVBPNZHBAYOA-UHFFFAOYSA-N"	TRUE	FALSE	14	1	2
"315-22-0"	"DTXSID9020902"	"Monocrotaline"	"EPA_DSSTox"	"CC1C(=O)OC2CCN3CC=C(COC(=O)C(C)(O)C1(C)O)C32"	"?"	"InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3"	"QVCMHGGNRFRMAD-UHFFFAOYSA-N"	FALSE	FALSE	66	2	3
"315-37-7"	NA	NA	"Public_CrossChecked"	"CCCCCCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C"	"?"	"InChI=1S/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h17,20-23H,4-16H2,1-3H3"	"VOCBWIIFXDYGNZ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"315-72-0"	"DTXSID3023394"	"Opipramol"	"EPA_DSSTox"	"OCCN1CCN(CCCN2C3=CC=CC=C3C=CC3C=CC=CC2=3)CC1"	"?"	"InChI=1S/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2"	"YNZFUWZUGRBMHL-UHFFFAOYSA-N"	FALSE	FALSE	1110	3	4
"315-80-0"	"DTXSID5048421"	"Dibenzepin hydrochloride"	"EPA_DSSTox"	"CN(C)CCN1C(=O)C2C=CC=CC=2N(C)C2C=CC=CC1=2"	"Cl"	"InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3"	"QPGGEKPRGVJKQB-UHFFFAOYSA-N"	FALSE	FALSE	220	2	3
"3152-41-8"	"DTXSID70185414"	"Phosphorodithioic acid, (((3,4-dichlorophenyl)thio)methyl) O,O-diethyl ester"	"EPA_DSSTox"	"CCOP(=S)(OCC)SCSC1C=C(Cl)C(Cl)=CC=1"	"?"	"InChI=1S/C11H15Cl2O2PS3/c1-3-14-16(17,15-4-2)19-8-18-9-5-6-10(12)11(13)7-9/h5-7H,3-4,8H2,1-2H3"	"MMOZLNLHLXGIJI-UHFFFAOYSA-N"	FALSE	FALSE	89	2	3
"31570-04-4"	"DTXSID2027969"	"Phenol, 2,4-bis(1,1-dimethylethyl)-, phosphite (3:1)"	"EPA_DSSTox"	"CC(C)(C)C1=CC(=C(C=C1)OP(OC1=CC=C(C=C1C(C)(C)C)C(C)(C)C)OC1=CC=C(C=C1C(C)(C)C)C(C)(C)C)C(C)(C)C"	"?"	"InChI=1S/C42H63O3P/c1-37(2,3)28-19-22-34(31(25-28)40(10,11)12)43-46(44-35-23-20-29(38(4,5)6)26-32(35)41(13,14)15)45-36-24-21-30(39(7,8)9)27-33(36)42(16,17)18/h19-27H,1-18H3"	"JKIJEFPNVSHHEI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"31571-71-8"	NA	NA	"Public_CrossChecked"	"OC(=O)CN(CC(O)=O)CCOCCOCCN(CC(O)=O)CC(O)=O"	"?"	"InChI=1S/C14H24N2O10/c17-11(18)7-15(8-12(19)20)1-3-25-5-6-26-4-2-16(9-13(21)22)10-14(23)24/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)"	"DEFVIWRASFVYLL-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"3159-29-3"	"DTXSID50185477"	"Carbanilic acid, 3-chloro-, 2-butenylene ester"	"EPA_DSSTox"	"O=C(NC1=CC(Cl)=CC=C1)OCC#CCOC(=O)NC1C=C(Cl)C=CC=1"	"?"	"InChI=1S/C18H14Cl2N2O4/c19-13-5-3-7-15(11-13)21-17(23)25-9-1-2-10-26-18(24)22-16-8-4-6-14(20)12-16/h3-8,11-12H,9-10H2,(H,21,23)(H,22,24)"	"PXWJNTIDFAQYNZ-UHFFFAOYSA-N"	FALSE	TRUE	2035	3	5
"316-42-7"	"DTXSID7020558"	"Emetine dihydrochloride"	"EPA_DSSTox"	"CCC1CN2CCC3C=C(OC)C(=CC=3C2CC1CC1NCCC2=CC(OC)=C(C=C21)OC)OC"	"Cl.Cl"	"InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3"	"AUVVAXYIELKVAI-UHFFFAOYSA-N"	TRUE	FALSE	0.012	1	1
"31635-40-2"	"DTXSID10185519"	"Acetamide, N-1-adamantyl-N-(2-(dimethylamino)ethoxy)-, hydrochloride"	"EPA_DSSTox"	"CN(C)CCON(C(C)=O)C12CC3CC(C1)CC(C2)C3"	"Cl"	"InChI=1S/C16H28N2O2/c1-12(19)18(20-5-4-17(2)3)16-9-13-6-14(10-16)8-15(7-13)11-16/h13-15H,4-11H2,1-3H3"	"HQLYKDYXHGNOHY-UHFFFAOYSA-N"	FALSE	FALSE	630	3	4
"3164-34-9"	"DTXSID50883961"	"Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, calcium salt (1:1)"	"EPA_DSSTox"	"OC(=O)C(O)C(O)C(O)=O"	"[Ca+2]"	"InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)"	"FEWJPZIEWOKRBE-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"31642-65-6"	NA	NA	"Public_CrossChecked"	"CC1C=CC=CC=1C(OC1CC2CCC(C1)N2C)C1C=CC=CC=1"	"Br"	"InChI=1S/C22H27NO/c1-16-8-6-7-11-21(16)22(17-9-4-3-5-10-17)24-20-14-18-12-13-19(15-20)23(18)2/h3-11,18-20,22H,12-15H2,1-2H3"	"ZYPPUARTBAUFPJ-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"31643-49-9"	"DTXSID4067642"	"1,2-Benzenedicarbonitrile, 4-nitro-"	"EPA_DSSTox"	"N#CC1C=CC(=CC=1C#N)[N+]([O-])=O"	"?"	"InChI=1S/C8H3N3O2/c9-4-6-1-2-8(11(12)13)3-7(6)5-10/h1-3H"	"NTZMSBAAHBICLE-UHFFFAOYSA-N"	FALSE	FALSE	850	3	4
"31652-69-4"	NA	NA	"Public_CrossChecked"	"COCC1OC(=O)C2=COC3=C2C1(C)C1CCC2(C)C(CCC2=O)C=1C3=O"	"?"	"InChI=1S/C21H22O6/c1-20-7-6-12-15(11(20)4-5-13(20)22)17(23)18-16-10(8-26-18)19(24)27-14(9-25-3)21(12,16)2/h8,11,14H,4-7,9H2,1-3H3"	"GXVZXRZMWGYXMQ-UHFFFAOYSA-N"	TRUE	FALSE	28	1	2
"31677-93-7"	"DTXSID6044561"	"Bupropion hydrochloride"	"EPA_DSSTox"	"CC(NC(C)(C)C)C(=O)C1C=C(Cl)C=CC=1"	"Cl"	"InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3"	"SNPPWIUOZRMYNY-UHFFFAOYSA-N"	FALSE	FALSE	482	2	4
"31684-63-6"	"DTXSID50185578"	"Methanone, (4-amino-3-hydroxyphenyl)phenyl-"	"EPA_DSSTox"	"NC1=CC=C(C=C1O)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C13H11NO2/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8,15H,14H2"	"GTIBQOVZWUVLOF-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"31698-14-3"	"DTXSID6020357"	"Cyclocytidine"	"EPA_DSSTox"	"[H]N=C1C=CN2C3OC(CO)C(O)C3OC2=N1"	"?"	"InChI=1S/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2"	"BBDAGFIXKZCXAH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3173-53-3"	"DTXSID8025464"	"Isocyanatocyclohexane"	"EPA_DSSTox"	"O=C=NC1CCCCC1"	"?"	"InChI=1S/C7H11NO/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2"	"KQWGXHWJMSMDJJ-UHFFFAOYSA-N"	FALSE	FALSE	335	2	4
"3173-72-6"	"DTXSID8040145"	"1,5-Naphthalene diisocyanate"	"EPA_DSSTox"	"O=C=NC1C=CC=C2C(=CC=CC=12)N=C=O"	"?"	"InChI=1S/C12H6N2O2/c15-7-13-11-5-1-3-9-10(11)4-2-6-12(9)14-8-16/h1-6H"	"SBJCUZQNHOLYMD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3174-67-2"	NA	NA	"Public_CrossChecked"	"CCC(O)CCO"	"?"	"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3"	"RUOPINZRYMFPBF-UHFFFAOYSA-N"	FALSE	TRUE	20000	4	5
"3175-23-3"	"DTXSID0062890"	"Propane, 1,2,2-trichloro-"	"EPA_DSSTox"	"CC(Cl)(Cl)CCl"	"?"	"InChI=1S/C3H5Cl3/c1-3(5,6)2-4/h2H2,1H3"	"DAIIXVPKQATIMF-UHFFFAOYSA-N"	FALSE	FALSE	1140	3	4
"3176-03-2"	NA	NA	"Public_CrossChecked"	"COC1=CC=C2CC3N(C)CCC4(CC(O)CCC43O)C2=C1OC"	"?"	"InChI=1S/C19H27NO4/c1-20-9-8-18-11-13(21)6-7-19(18,22)15(20)10-12-4-5-14(23-2)17(24-3)16(12)18/h4-5,13,15,21-22H,6-11H2,1-3H3"	"LCAHPIFLPICNRW-UHFFFAOYSA-N"	FALSE	FALSE	339	2	4
"31770-74-8"	NA	NA	"Public_CrossChecked"	"OC(=O)C1CCC2=CC(=CC=C21)C1CCCCC1"	"?"	"InChI=1S/C16H20O2/c17-16(18)15-9-7-13-10-12(6-8-14(13)15)11-4-2-1-3-5-11/h6,8,10-11,15H,1-5,7,9H2,(H,17,18)"	"BKEWDCUQDVDPHC-UHFFFAOYSA-N"	FALSE	FALSE	230	2	3
"31775-20-9"	"DTXSID40885515"	"Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[N-(4-ethoxyphenyl)-3-oxo-"	"EPA_DSSTox"	"CC(=O)C(N=NC1C=CC(=CC=1Cl)C1=CC(Cl)=C(C=C1)N=NC(C(=O)NC1C=CC(=CC=1)OCC)C(C)=O)C(=O)NC1C=CC(=CC=1)OCC"	"?"	"InChI=1S/C36H34Cl2N6O6/c1-5-49-27-13-9-25(10-14-27)39-35(47)33(21(3)45)43-41-31-17-7-23(19-29(31)37)24-8-18-32(30(38)20-24)42-44-34(22(4)46)36(48)40-26-11-15-28(16-12-26)50-6-2/h7-20,33-34H,5-6H2,1-4H3,(H,39,47)(H,40,48)"	"LNBRYDZEIVHGHO-UHFFFAOYSA-N"	FALSE	TRUE	2228	3	5
"3179-63-3"	"DTXSID5062895"	"1-Propanol, 3-(dimethylamino)-"	"EPA_DSSTox"	"CN(C)CCCO"	"?"	"InChI=1S/C5H13NO/c1-6(2)4-3-5-7/h7H,3-5H2,1-2H3"	"PYSGFFTXMUWEOT-UHFFFAOYSA-N"	FALSE	TRUE	2130	3	5
"31793-07-4"	"DTXSID7023489"	"Pirprofen"	"EPA_DSSTox"	"CC(C(O)=O)C1=CC(Cl)=C(C=C1)N1CC=CC1"	"?"	"InChI=1S/C13H14ClNO2/c1-9(13(16)17)10-4-5-12(11(14)8-10)15-6-2-3-7-15/h2-5,8-9H,6-7H2,1H3,(H,16,17)"	"PIDSZXPFGCURGN-UHFFFAOYSA-N"	FALSE	FALSE	351	2	4
"318-98-9"	"DTXSID3021198"	"Propranolol hydrochloride"	"EPA_DSSTox"	"CC(C)NCC(O)COC1=CC=CC2C=CC=CC1=2"	"Cl"	"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"	FALSE	FALSE	466	2	4
"3180-09-4"	"DTXSID0062898"	"2-Butylphenol"	"EPA_DSSTox"	"CCCCC1C=CC=CC=1O"	"?"	"InChI=1S/C10H14O/c1-2-3-6-9-7-4-5-8-10(9)11/h4-5,7-8,11H,2-3,6H2,1H3"	"GJYCVCVHRSWLNY-UHFFFAOYSA-N"	FALSE	FALSE	634	3	4
"31802-16-1"	NA	NA	"Public_CrossChecked"	"CC(C)NC1CC2C=CC=CC=2CC2=CC=CC=C21"	"?"	"InChI=1S/C18H21N/c1-13(2)19-18-12-15-8-4-3-7-14(15)11-16-9-5-6-10-17(16)18/h3-10,13,18-19H,11-12H2,1-2H3"	"FCIRNNFTJNLRDS-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"31810-89-6"	"DTXSID9052002"	"C.I. Disperse Blue 56"	"EPA_DSSTox"	"NC1=CC(Br)=C(O)C2C1=C(O)C1=C(C=2O)C(N)=CC(Br)=C1O"	"?"	"InChI=1S/C14H10Br2N2O4/c15-3-1-5(17)7-9(11(3)19)14(22)8-6(18)2-4(16)12(20)10(8)13(7)21/h1-2,19-22H,17-18H2"	"GTSCBNWCTFCFPW-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"31828-50-9"	"DTXSID90185698"	"Cephradine dihydrate"	"EPA_DSSTox"	"CC1CSC2C(NC(=O)C(N)C3CC=CCC=3)C(=O)N2C=1C(O)=O"	"O.O"	"InChI=1S/C16H19N3O4S/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/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)"	"RDLPVSKMFDYCOR-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3184-13-2"	"DTXSID50858851"	"L-Ornithine monohydrochloride"	"EPA_DSSTox"	"NCCCC(N)C(O)=O"	"Cl"	"InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)"	"AHLPHDHHMVZTML-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"31842-01-0"	"DTXSID5045831"	"Indoprofen"	"EPA_DSSTox"	"CC(C(O)=O)C1C=CC(=CC=1)N1CC2C=CC=CC=2C1=O"	"?"	"InChI=1S/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21)"	"RJMIEHBSYVWVIN-UHFFFAOYSA-N"	FALSE	FALSE	84	2	3
"31848-02-9"	NA	NA	"Public_CrossChecked"	"COC1=CC(=CC(OC)=C1OCCN1CCOCC1)C(=O)C1C=CC(Cl)=CC=1"	"Cl"	"InChI=1S/C21H24ClNO5/c1-25-18-13-16(20(24)15-3-5-17(22)6-4-15)14-19(26-2)21(18)28-12-9-23-7-10-27-11-8-23/h3-6,13-14H,7-12H2,1-2H3"	"KVCJCEKJKGLBOK-UHFFFAOYSA-N"	FALSE	FALSE	1290	3	4
"31848-11-0"	"DTXSID2041753"	"Carbamorph"	"EPA_DSSTox"	"CN(C)C(=S)SCN1CCOCC1"	"?"	"InChI=1S/C8H16N2OS2/c1-9(2)8(12)13-7-10-3-5-11-6-4-10/h3-7H2,1-2H3"	"MPKTWNYCNKUVKZ-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"3186-23-0"	NA	NA	"Public_CrossChecked"	"ClC1(Cl)C2(Cl)C3C=CC(Br)C3C1(Cl)C(Cl)=C2Cl"	"?"	"InChI=1S/C10H5BrCl6/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H"	"OSFJYEFKYKUXPU-UHFFFAOYSA-N"	FALSE	FALSE	1040	3	4
"31876-38-7"	"DTXSID10185731"	"Moniliformin"	"EPA_DSSTox"	"OC1=CC(=O)C1=O"	"?"	"InChI=1S/C4H2O3/c5-2-1-3(6)4(2)7/h1,5H"	"KGPQKNJSZNXOPV-UHFFFAOYSA-N"	TRUE	FALSE	41	1	2
"3188-57-6"	NA	NA	"Public_CrossChecked"	"OC1CC2CC1C1CC3OC3C21"	"?"	"InChI=1S/C10H14O2/c11-7-2-4-1-5(7)6-3-8-10(12-8)9(4)6/h4-11H,1-3H2"	"GRGUGHOMWLKRBP-UHFFFAOYSA-N"	FALSE	TRUE	3130	3	5
"319-24-4"	"DTXSID80382639"	"Methyl 2-amino-5-fluorobenzoate"	"EPA_DSSTox"	"COC(=O)C1=CC(F)=CC=C1N"	"?"	"InChI=1S/C8H8FNO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3"	"PUDDYSBKCDKATP-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"319-84-6"	"DTXSID2020684"	"alpha-1,2,3,4,5,6-Hexachlorocyclohexane"	"EPA_DSSTox"	"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl"	"?"	"InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H"	"JLYXXMFPNIAWKQ-UHFFFAOYSA-N"	FALSE	FALSE	177	2	3
"319-85-7"	"DTXSID7020685"	"beta-Hexachlorocyclohexane"	"EPA_DSSTox"	"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl"	"?"	"InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H"	"JLYXXMFPNIAWKQ-UHFFFAOYSA-N"	FALSE	TRUE	6000	4	5
"319-86-8"	"DTXSID5024134"	"delta-Hexachlorocyclohexane"	"EPA_DSSTox"	"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl"	"?"	"InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H"	"JLYXXMFPNIAWKQ-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"31900-04-6"	"DTXSID90891787"	"C.I. Fluorescent Brightener 205"	"EPA_DSSTox"	"CNC1=NC(NC2C=CC=CC=2)=NC(NC2C=C(C(C=CC3=CC=C(C=C3S(O)(=O)=O)NC3N=C(NC4C=CC=CC=4)N=C(NC)N=3)=CC=2)S(O)(=O)=O)=N1"	"[Na+].[Na+]"	"InChI=1S/C34H32N12O6S2/c1-35-29-41-31(37-23-9-5-3-6-10-23)45-33(43-29)39-25-17-15-21(27(19-25)53(47,48)49)13-14-22-16-18-26(20-28(22)54(50,51)52)40-34-44-30(36-2)42-32(46-34)38-24-11-7-4-8-12-24/h3-20H,1-2H3,(H,47,48,49)(H,50,51,52)(H3,35,37,39,41,43,45)(H3,36,38,40,42,44,46)"	"VSNAWXHIKBJFHM-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"3194-36-3"	NA	NA	"Public_CrossChecked"	"NC(CCN1CCCCCC1)N=O"	"[Cl-].[Cl-]"	"InChI=1S/C9H19N3O/c10-9(11-13)5-8-12-6-3-1-2-4-7-12/h9H,1-8,10H2"	"BGAHKRZHLUXWAD-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"3194-55-6"	"DTXSID4027527"	"1,2,5,6,9,10-Hexabromocyclododecane"	"EPA_DSSTox"	"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"	FALSE	TRUE	NA	4	5
"3196-50-7"	NA	NA	"Public_CrossChecked"	"CC1=[N+](C)C2CCC1(C1=CC=CC=C12)C1C=CC=CC=1"	"[Cl-]"	"InChI=1S/C19H20N/c1-14-19(15-8-4-3-5-9-15)13-12-18(20(14)2)16-10-6-7-11-17(16)19/h3-11,18H,12-13H2,1-2H3/q+1"	"BWPQYCRPDSURPM-UHFFFAOYSA-N"	FALSE	FALSE	707	3	4
"320-60-5"	"DTXSID0047959"	"2,4-Dichlorobenzotrifluoride"	"EPA_DSSTox"	"FC(F)(F)C1=CC=C(Cl)C=C1Cl"	"?"	"InChI=1S/C7H3Cl2F3/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H"	"KALSHRGEFLVFHE-UHFFFAOYSA-N"	FALSE	TRUE	2150	3	5
"32033-21-9"	NA	NA	"Public_CrossChecked"	"CN(CC#C)C1CCC2=CC=CC=C21"	"?"	"InChI=1S/C13H15N/c1-3-10-14(2)13-9-8-11-6-4-5-7-12(11)13/h1,4-7,13H,8-10H2,2H3"	"CSVGVHNFFZWQJU-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"3204-27-1"	"DTXSID50185856"	"Dinoterb acetate [ISO]"	"EPA_DSSTox"	"CC(=O)OC1C(=CC(=CC=1C(C)(C)C)[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C12H14N2O6/c1-7(15)20-11-9(12(2,3)4)5-8(13(16)17)6-10(11)14(18)19/h5-6H,1-4H3"	"BMJYKXALMDAIEG-UHFFFAOYSA-N"	FALSE	FALSE	62	2	3
"3209-22-1"	"DTXSID8024997"	"2,3-Dichloronitrobenzene"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC=CC(Cl)=C1Cl"	"?"	"InChI=1S/C6H3Cl2NO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H"	"CMVQZRLQEOAYSW-UHFFFAOYSA-N"	FALSE	FALSE	381	2	4
"321-55-1"	"DTXSID5046221"	"Haloxon"	"EPA_DSSTox"	"CC1=C(Cl)C(=O)OC2C=C(C=CC=21)OP(=O)(OCCCl)OCCCl"	"?"	"InChI=1S/C14H14Cl3O6P/c1-9-11-3-2-10(8-12(11)22-14(18)13(9)17)23-24(19,20-6-4-15)21-7-5-16/h2-3,8H,4-7H2,1H3"	"KULDXINYXFTXMO-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"321-64-2"	"DTXSID1037272"	"Tacrine"	"EPA_DSSTox"	"NC1C2C=CC=CC=2N=C2CCCCC2=1"	"?"	"InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)"	"YLJREFDVOIBQDA-UHFFFAOYSA-N"	FALSE	FALSE	70	2	3
"3212-26-8"	NA	NA	"Public_CrossChecked"	"ClC1(Cl)C2(Cl)C3C(C4OC3C3OC43)C1(Cl)C(Cl)=C2Cl"	"?"	"InChI=1S/C11H6Cl6O2/c12-7-8(13)10(15)2-1(9(7,14)11(10,16)17)3-5-6(19-5)4(2)18-3/h1-6H"	"QIOAVVHEKQUAKW-UHFFFAOYSA-N"	FALSE	FALSE	142	2	3
"3214-64-0"	"DTXSID70185919"	"SRC-820 R"	"EPA_DSSTox"	"CC1=NC2C=CC=CC=2C(=O)N1C1=NC=CC=C1C"	"?"	"InChI=1S/C15H13N3O/c1-10-6-5-9-16-14(10)18-11(2)17-13-8-4-3-7-12(13)15(18)19/h3-9H,1-2H3"	"LZORTVCIUAAACZ-UHFFFAOYSA-N"	FALSE	FALSE	395	2	4
"32150-76-8"	"DTXSID40185941"	"Uracil, 1-allyl-5-(dimethylamino)-6-methyl-3-phenyl-"	"EPA_DSSTox"	"CN(C)C1C(=O)N(C2C=CC=CC=2)C(=O)N(CC=C)C=1C"	"?"	"InChI=1S/C16H19N3O2/c1-5-11-18-12(2)14(17(3)4)15(20)19(16(18)21)13-9-7-6-8-10-13/h5-10H,1,11H2,2-4H3"	"JLEMBEDQJILISF-UHFFFAOYSA-N"	FALSE	TRUE	2400	3	5
"3218-36-8"	"DTXSID9073961"	"[1,1'-Biphenyl]-4-carboxaldehyde"	"EPA_DSSTox"	"O=CC1C=CC(=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C13H10O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H"	"ISDBWOPVZKNQDW-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"322-79-2"	"DTXSID8045305"	"Triflusal"	"EPA_DSSTox"	"CC(=O)OC1C=C(C=CC=1C(O)=O)C(F)(F)F"	"?"	"InChI=1S/C10H7F3O4/c1-5(14)17-8-4-6(10(11,12)13)2-3-7(8)9(15)16/h2-4H,1H3,(H,15,16)"	"RMWVZGDJPAKBDE-UHFFFAOYSA-N"	FALSE	FALSE	402	2	4
"3221-15-6"	NA	NA	"Public_CrossChecked"	"ClCC1CS1"	"?"	"InChI=1S/C3H5ClS/c4-1-3-2-5-3/h3H,1-2H2"	"XRWMHJJHPQTTLQ-UHFFFAOYSA-N"	TRUE	FALSE	40	1	2
"32210-23-4"	"DTXSID1027974"	"4-tert-Butylcyclohexyl acetate"	"EPA_DSSTox"	"CC(=O)OC1CCC(CC1)C(C)(C)C"	"?"	"InChI=1S/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3"	"MBZRJSQZCBXRGK-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"32221-81-1"	"DTXSID4020905"	"dl-Monosodium glutamate"	"EPA_DSSTox"	"NC(CCC(O)=O)C(O)=O"	"[Na+]"	"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)"	"WHUUTDBJXJRKMK-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"32222-06-3"	"DTXSID5022722"	"Calcitriol"	"EPA_DSSTox"	"CC(C)(O)CCCC(C)C1CCC2C(CCCC21C)=CC=C1CC(O)CC(O)C1=C"	"?"	"InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3"	"GMRQFYUYWCNGIN-UHFFFAOYSA-N"	TRUE	FALSE	0.62	1	1
"32226-69-0"	"DTXSID80185985"	"Quinoline, 4-(2-(1-pyrrolidinyl)ethoxy)-"	"EPA_DSSTox"	"C(CN1CCCC1)OC1=CC=NC2C=CC=CC=21"	"?"	"InChI=1S/C15H18N2O/c1-2-6-14-13(5-1)15(7-8-16-14)18-12-11-17-9-3-4-10-17/h1-2,5-8H,3-4,9-12H2"	"ZSQDIESIQHUWMQ-UHFFFAOYSA-N"	FALSE	FALSE	280	2	3
"3226-36-6"	"DTXSID60186011"	"Carbamic acid, dimethyldithio-, ammonium salt"	"EPA_DSSTox"	"CN(C)C(S)=S"	"[NH4+]"	"InChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6)"	"MZGNSEAPZQGJRB-UHFFFAOYSA-N"	FALSE	FALSE	1458	3	4
"3234-85-3"	"DTXSID5047403"	"Myristyl myristate"	"EPA_DSSTox"	"CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC"	"?"	"InChI=1S/C28H56O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3"	"DZKXJUASMGQEMA-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"32357-99-6"	"DTXSID40186074"	"Phosphorodithioic acid, S-(2-(p-chlorophenylthio)ethyl) O,O-dimethyl ester"	"EPA_DSSTox"	"COP(=S)(OC)SCCSC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C10H14ClO2PS3/c1-12-14(15,13-2)17-8-7-16-10-5-3-9(11)4-6-10/h3-6H,7-8H2,1-2H3"	"VCWSCCLHRXFDOW-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"32358-07-9"	NA	NA	"Public_CrossChecked"	"CC(COC(=O)C(CC(=O)OCC=C)SP(=S)(OC)OC)SP(=S)(OC)OC"	"?"	"InChI=1S/C14H26O8P2S4/c1-7-8-21-13(15)9-12(28-24(26,19-5)20-6)14(16)22-10-11(2)27-23(25,17-3)18-4/h7,11-12H,1,8-10H2,2-6H3"	"MSCUHXPWGRRKKL-UHFFFAOYSA-N"	FALSE	FALSE	762	3	4
"32358-09-1"	NA	NA	"Public_CrossChecked"	"COP(=S)(OC)SC(C(SP(=S)(OC)OC)C(=O)OCC)C(=O)OCC"	"?"	"InChI=1S/C12H24O8P2S4/c1-7-19-11(13)9(25-21(23,15-3)16-4)10(12(14)20-8-2)26-22(24,17-5)18-6/h9-10H,7-8H2,1-6H3"	"MYJCKKZBYSVOQC-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"3238-40-2"	"DTXSID0062927"	"2,5-Furandicarboxylic acid"	"EPA_DSSTox"	"OC(=O)C1=CC=C(O1)C(O)=O"	"?"	"InChI=1S/C6H4O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)"	"CHTHALBTIRVDBM-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"32384-65-9"	"DTXSID30451107"	"(3R,4S,5R,6R)-3,4,5-Tris[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-2-one (non-preferred name)"	"EPA_DSSTox"	"C[Si](C)(C)OCC1OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C"	"?"	"InChI=1S/C18H42O6Si4/c1-25(2,3)20-13-14-15(22-26(4,5)6)16(23-27(7,8)9)17(18(19)21-14)24-28(10,11)12/h14-17H,13H2,1-12H3"	"VNGTZLYNGGLPIZ-UHFFFAOYSA-N"	FALSE	NA	NA	NA	NA
"32385-11-8"	"DTXSID0023583"	"Sisomicin"	"EPA_DSSTox"	"CNC1C(O)C(OC2C(O)C(OC3OC(CN)=CCC3N)C(N)CC2N)OCC1(C)O"	"?"	"InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3"	"URWAJWIAIPFPJE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3239-63-2"	NA	NA	"Public_CrossChecked"	"CCCSP(C)(=S)OC1C=CC=CC=1"	"?"	"InChI=1S/C10H15OPS2/c1-3-9-14-12(2,13)11-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3"	"WGAOJKBMFUUZJC-UHFFFAOYSA-N"	FALSE	FALSE	208	2	3
"3247-33-4"	"DTXSID70186204"	"Phosphonic acid, ((ethylthio)methylidyne)tri-, hexaethyl ester"	"EPA_DSSTox"	"CCSC(P(=O)(OCC)OCC)(P(=O)(OCC)OCC)P(=O)(OCC)OCC"	"?"	"InChI=1S/C15H35O9P3S/c1-8-19-25(16,20-9-2)15(28-14-7,26(17,21-10-3)22-11-4)27(18,23-12-5)24-13-6/h8-14H2,1-7H3"	"RMFQENCRTJMPCX-UHFFFAOYSA-N"	TRUE	FALSE	7.25	1	2
"3249-68-1"	"DTXSID00186217"	"Ethyl 3-oxohexanoate"	"EPA_DSSTox"	"CCOC(=O)CC(=O)CCC"	"?"	"InChI=1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3"	"KQWWVLVLVYYYDT-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"32500-19-9"	NA	NA	"Public_CrossChecked"	"OC1C=CC(=CC=1)C(C1C=CC=CN=1)C1C=CC(=CC=1)OS(O)(=O)=O"	"[Na+]"	"InChI=1S/C18H15NO5S/c20-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(11-7-14)24-25(21,22)23/h1-12,18,20H,(H,21,22,23)"	"GZBRDXXUGWPICA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"32509-66-3"	"DTXSID9052006"	"2-{[3,3-Bis(3-tert-butyl-4-hydroxyphenyl)butanoyl]oxy}ethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(3-tert-butyl-4-hydroxyphenyl)butanoate"	"EPA_DSSTox"	"CC1=CC(=CC(=C1O)C(C)(C)C)C(C)(CC(=O)OCCOC(=O)CC(C)(C1C=C(C(O)=CC=1)C(C)(C)C)C1C=C(C(O)=CC=1)C(C)(C)C)C1C=C(C(O)=CC=1)C(C)(C)C"	"?"	"InChI=1S/C51H68O8/c1-31-24-35(28-39(45(31)57)49(11,12)13)51(15,34-18-21-42(54)38(27-34)48(8,9)10)30-44(56)59-23-22-58-43(55)29-50(14,32-16-19-40(52)36(25-32)46(2,3)4)33-17-20-41(53)37(26-33)47(5,6)7/h16-21,24-28,52-54,57H,22-23,29-30H2,1-15H3"	"RMTSEIXJXOIOOO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3252-43-5"	"DTXSID3024940"	"Dibromoacetonitrile"	"EPA_DSSTox"	"N#CC(Br)Br"	"?"	"InChI=1S/C2HBr2N/c3-2(4)1-5/h2H"	"NDSBDLSWTGLNQA-UHFFFAOYSA-N"	FALSE	FALSE	245	2	3
"32527-55-2"	"DTXSID0023666"	"Tiaramide"	"EPA_DSSTox"	"OCCN1CCN(CC1)C(=O)CN1C2=CC(Cl)=CC=C2SC1=O"	"?"	"InChI=1S/C15H18ClN3O3S/c16-11-1-2-13-12(9-11)19(15(22)23-13)10-14(21)18-5-3-17(4-6-18)7-8-20/h1-2,9,20H,3-8,10H2"	"HTJXMOGUGMSZOG-UHFFFAOYSA-N"	FALSE	TRUE	3600	3	5
"32536-52-0"	NA	NA	"Public_CrossChecked"	"BrC1=CC(OC2C=C(Br)C(Br)=C(Br)C=2Br)=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"	FALSE	TRUE	NA	4	5
"32539-83-6"	"DTXSID7074402"	"2H-Cyclododeca[b]pyran, 3,4,5,6,7,8,9,10,11,12,13,14-dodecahydro-"	"EPA_DSSTox"	"C1CCOC2CCCCCCCCCCC=21"	"?"	"InChI=1S/C15H26O/c1-2-4-6-8-12-15-14(10-7-5-3-1)11-9-13-16-15/h1-13H2"	"VJRVVBJENDJBLJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"3254-62-4"	NA	NA	"Public_CrossChecked"	"CS(=O)C1C=CC(=CC=1)OP(=S)(OCCC)OCCC"	"?"	"InChI=1S/C13H21O4PS2/c1-4-10-15-18(19,16-11-5-2)17-12-6-8-13(9-7-12)20(3)14/h6-9H,4-5,10-11H2,1-3H3"	"LMXCIGBULAWAIL-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"3254-63-5"	"DTXSID00863137"	"Dimethyl p-(methylthio)phenyl phosphate"	"EPA_DSSTox"	"CSC1C=CC(=CC=1)OP(=O)(OC)OC"	"?"	"InChI=1S/C9H13O4PS/c1-11-14(10,12-2)13-8-4-6-9(15-3)7-5-8/h4-7H,1-3H3"	"BUDNNLHZOCBLAU-UHFFFAOYSA-N"	TRUE	FALSE	7	1	2
"3254-89-5"	"DTXSID10186248"	"Diphenidol hydrochloride"	"EPA_DSSTox"	"OC(CCCN1CCCCC1)(C1C=CC=CC=1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2"	"OGAKLTJNUQRZJU-UHFFFAOYSA-N"	FALSE	FALSE	515	3	4
"32568-89-1"	"DTXSID00885536"	"2,4-Imidazolidinedione, 5,5-dimethyl-3-[2-(2-oxiranylmethoxy)propyl]-1-(2-oxiranylmethyl)-"	"EPA_DSSTox"	"CC(CN1C(=O)N(CC2CO2)C(C)(C)C1=O)OCC1CO1"	"?"	"InChI=1S/C14H22N2O5/c1-9(19-7-11-8-21-11)4-15-12(17)14(2,3)16(13(15)18)5-10-6-20-10/h9-11H,4-8H2,1-3H3"	"OQAPYXJOOYQXDV-UHFFFAOYSA-N"	FALSE	FALSE	1800	3	4
"32588-76-4"	"DTXSID6024626"	"1,2-Bis(tetrabromophthalimido)ethane"	"EPA_DSSTox"	"O=C1C2=C(C(Br)=C(Br)C(Br)=C2Br)C(=O)N1CCN1C(=O)C2=C(C(Br)=C(Br)C(Br)=C2Br)C1=O"	"?"	"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"	FALSE	TRUE	NA	4	5
"326-61-4"	"DTXSID2025925"	"Piperonyl acetate"	"EPA_DSSTox"	"CC(=O)OCC1C=C2OCOC2=CC=1"	"?"	"InChI=1S/C10H10O4/c1-7(11)12-5-8-2-3-9-10(4-8)14-6-13-9/h2-4H,5-6H2,1H3"	"PFWYHTORQZAGCA-UHFFFAOYSA-N"	FALSE	TRUE	2100	3	5
"32612-48-9"	"DTXSID9049588"	"Ammonium (lauryloxypolyethoxy)ethyl sulfate"	"EPA_DSSTox"	"CCCCCCCCCCCCOCCOS(O)(=O)=O"	"[NH4+]"	"InChI=1S/C14H30O5S/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17/h2-14H2,1H3,(H,15,16,17)"	"QTDIEDOANJISNP-UHFFFAOYSA-N"	FALSE	FALSE	630	3	4
"32630-50-5"	"DTXSID80186316"	"Polyvinylfurfural"	"EPA_DSSTox"	"C=CC1=CC=C(C=O)O1"	"?"	"InChI=1S/C7H6O2/c1-2-6-3-4-7(5-8)9-6/h2-5H,1H2"	"YOYFXGKQGYRVDG-UHFFFAOYSA-N"	FALSE	TRUE	2080	3	5
"32666-97-0"	"DTXSID60186339"	"Cyclohexanecarbamic acid, thio-, S-ethyl ester"	"EPA_DSSTox"	"CCSC(=O)NC1CCCCC1"	"?"	"InChI=1S/C9H17NOS/c1-2-12-9(11)10-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,10,11)"	"PUNUCLJJWUUKFB-UHFFFAOYSA-N"	FALSE	TRUE	2300	3	5
"3268-49-3"	"DTXSID9027528"	"3-(Methylthio)propanal"	"EPA_DSSTox"	"CSCCC=O"	"?"	"InChI=1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3"	"CLUWOWRTHNNBBU-UHFFFAOYSA-N"	FALSE	FALSE	490	2	4
"3268-87-9"	"DTXSID4025799"	"Octachlorodibenzo-p-dioxin"	"EPA_DSSTox"	"ClC1C2OC3=C(OC=2C(Cl)=C(Cl)C=1Cl)C(Cl)=C(Cl)C(Cl)=C3Cl"	"?"	"InChI=1S/C12Cl8O2/c13-1-2(14)6(18)10-9(5(1)17)21-11-7(19)3(15)4(16)8(20)12(11)22-10"	"FOIBFBMSLDGNHL-UHFFFAOYSA-N"	TRUE	FALSE	1	1	1
"327-19-5"	"DTXSID50186363"	"Benzimidazole, 5-nitro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC2NC(=NC=2C=C1)C(F)(F)F"	"?"	"InChI=1S/C8H4F3N3O2/c9-8(10,11)7-12-5-2-1-4(14(15)16)3-6(5)13-7/h1-3H,(H,12,13)"	"FEJRBJIEEALTTL-UHFFFAOYSA-N"	TRUE	FALSE	3.663	1	1
"327-92-4"	"DTXSID6059813"	"Benzene, 1,5-difluoro-2,4-dinitro-"	"EPA_DSSTox"	"[O-][N+](=O)C1C=C(C(F)=CC=1F)[N+]([O-])=O"	"?"	"InChI=1S/C6H2F2N2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H"	"VILFTWLXLYIEMV-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"327-98-0"	"DTXSID9038420"	"Trichloronat"	"EPA_DSSTox"	"CCP(=S)(OC1C=C(Cl)C(Cl)=CC=1Cl)OCC"	"?"	"InChI=1S/C10H12Cl3O2PS/c1-3-14-16(17,4-2)15-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3"	"ANIAQSUBRGXWLS-UHFFFAOYSA-N"	TRUE	FALSE	15	1	2
"32744-43-7"	NA	NA	"Public_CrossChecked"	"CSCOC(=O)C(CC(=O)OCSC)SP(=S)(OCC)OCC"	"?"	"InChI=1S/C12H23O6PS4/c1-5-17-19(20,18-6-2)23-10(12(14)16-9-22-4)7-11(13)15-8-21-3/h10H,5-9H2,1-4H3"	"WLHMFXXWUZOPDO-UHFFFAOYSA-N"	TRUE	FALSE	3.7	1	1
"3276-41-3"	"DTXSID7020473"	"3,6-Dihydro-2-nitroso-2H-1,2-oxazine"	"EPA_DSSTox"	"O=NN1CC=CCO1"	"?"	"InChI=1S/C4H6N2O2/c7-5-6-3-1-2-4-8-6/h1-2H,3-4H2"	"JRIFTVNYAPUKTK-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"32765-81-4"	"DTXSID60431912"	"(6-Bromohexyl)trimethylammonium Bromide"	"EPA_DSSTox"	"C[N+](C)(C)CCCCCCBr"	"[Br-]"	"InChI=1S/C9H21BrN/c1-11(2,3)9-7-5-4-6-8-10/h4-9H2,1-3H3/q+1"	"WJNHFKVKJHYMNG-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"32766-80-6"	NA	NA	"Public_CrossChecked"	"CC(CCC1OC1(C)C)=CCOC1=CC=C(CC)C=C1"	"?"	"InChI=1S/C18H26O2/c1-5-15-7-9-16(10-8-15)19-13-12-14(2)6-11-17-18(3,4)20-17/h7-10,12,17H,5-6,11,13H2,1-4H3"	"VBRBNWWNRIMAII-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"32773-59-4"	NA	NA	"Public_CrossChecked"	"OC(=O)CCC(NC(=O)COC1C=CC(Cl)=CC=1Cl)C(O)=O"	"?"	"InChI=1S/C13H13Cl2NO6/c14-7-1-3-10(8(15)5-7)22-6-11(17)16-9(13(20)21)2-4-12(18)19/h1,3,5,9H,2,4,6H2,(H,16,17)(H,18,19)(H,20,21)"	"DVFXNNPVRLQELO-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"32773-96-9"	"DTXSID00186434"	"4H-1-Benzopyran-2-carboxamide, N,N-diethyl-4-oxo-"	"EPA_DSSTox"	"CCN(CC)C(=O)C1=CC(=O)C2C=CC=CC=2O1"	"?"	"InChI=1S/C14H15NO3/c1-3-15(4-2)14(17)13-9-11(16)10-7-5-6-8-12(10)18-13/h5-9H,3-4H2,1-2H3"	"KQLYUWXJOQUHOH-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"32780-64-6"	"DTXSID0044654"	"Labetalol hydrochloride"	"EPA_DSSTox"	"CC(CCC1C=CC=CC=1)NCC(O)C1=CC(=C(O)C=C1)C(N)=O"	"Cl"	"InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)"	"SGUAFYQXFOLMHL-UHFFFAOYSA-N"	FALSE	TRUE	2114	3	5
"3279-46-7"	"DTXSID7042223"	"o-(2-Propynyloxy)phenyl methylcarbamate"	"EPA_DSSTox"	"CNC(=O)OC1=CC=CC=C1OCC#C"	"?"	"InChI=1S/C11H11NO3/c1-3-8-14-9-6-4-5-7-10(9)15-11(13)12-2/h1,4-7H,8H2,2H3,(H,12,13)"	"LQLIPNNDDMXSGM-UHFFFAOYSA-N"	FALSE	FALSE	60	2	3
"32795-47-4"	"DTXSID1045790"	"Nomifensine maleate"	"EPA_DSSTox"	"CN1CC2C(N)=CC=CC=2C(C1)C1C=CC=CC=1"	"OC(=O)/C=C\C(O)=O"	"InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3"	"XXPANQJNYNUNES-UHFFFAOYSA-N"	FALSE	FALSE	430	2	4
"328-04-1"	"DTXSID2042222"	"O-(2-Chloro-4-nitrophenyl) O-isopropyl ethylphosphonothioate"	"EPA_DSSTox"	"CCP(=S)(OC(C)C)OC1=CC=C(C=C1Cl)[N+]([O-])=O"	"?"	"InChI=1S/C11H15ClNO4PS/c1-4-18(19,16-8(2)3)17-11-6-5-9(13(14)15)7-10(11)12/h5-8H,4H2,1-3H3"	"QINWTFKFPMRNJP-UHFFFAOYSA-N"	TRUE	FALSE	32	1	2
"328-84-7"	"DTXSID5027142"	"1,2-Dichloro-4-(trifluoromethyl)benzene"	"EPA_DSSTox"	"FC(F)(F)C1C=C(Cl)C(Cl)=CC=1"	"?"	"InChI=1S/C7H3Cl2F3/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H"	"XILPLWOGHPSJBK-UHFFFAOYSA-N"	FALSE	FALSE	1150	3	4
"32808-51-8"	"DTXSID5022695"	"Bucloxic acid"	"EPA_DSSTox"	"OC(=O)CCC(=O)C1C=CC(C2CCCCC2)=C(Cl)C=1"	"?"	"InChI=1S/C16H19ClO3/c17-14-10-12(15(18)8-9-16(19)20)6-7-13(14)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,19,20)"	"IJTPQQVCKPZIMV-UHFFFAOYSA-N"	FALSE	FALSE	120	2	3
"3282-00-6"	"DTXSID7041415"	"2-Cyclopentylphenyl methylcarbamate"	"EPA_DSSTox"	"CNC(=O)OC1=CC=CC=C1C1CCCC1"	"?"	"InChI=1S/C13H17NO2/c1-14-13(15)16-12-9-5-4-8-11(12)10-6-2-3-7-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,14,15)"	"LQQCVZUWEMLEGT-UHFFFAOYSA-N"	FALSE	FALSE	187	2	3
"3282-85-7"	"DTXSID1041552"	"6-Tridecanol, 3,9-diethyl-, hydrogen sulfate, sodium salt"	"EPA_DSSTox"	"CCCCC(CCC(CCC(CC)CC)OS(O)(=O)=O)CC"	"[Na+]"	"InChI=1S/C17H36O4S/c1-5-9-10-16(8-4)12-14-17(21-22(18,19)20)13-11-15(6-2)7-3/h15-17H,5-14H2,1-4H3,(H,18,19,20)"	"MSYSDQBIFATOQW-UHFFFAOYSA-N"	FALSE	FALSE	1430	3	4
"32828-81-2"	"DTXSID40186498"	"Picotamide"	"EPA_DSSTox"	"COC1C=CC(=CC=1C(=O)NCC1C=NC=CC=1)C(=O)NCC1C=NC=CC=1"	"?"	"InChI=1S/C21H20N4O3/c1-28-19-7-6-17(20(26)24-13-15-4-2-8-22-11-15)10-18(19)21(27)25-14-16-5-3-9-23-12-16/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27)"	"KYWCWBXGRWWINE-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"32838-28-1"	"DTXSID4057716"	"Butoctamide semisuccinate"	"EPA_DSSTox"	"CC(CC(=O)NCC(CCCC)CC)OC(=O)CCC(O)=O"	"?"	"InChI=1S/C16H29NO5/c1-4-6-7-13(5-2)11-17-14(18)10-12(3)22-16(21)9-8-15(19)20/h12-13H,4-11H2,1-3H3,(H,17,18)(H,19,20)"	"CQONVBIGUJWUFE-UHFFFAOYSA-N"	FALSE	TRUE	12100	4	5
"3286-46-2"	"DTXSID5046641"	"Bisibutiamine"	"EPA_DSSTox"	"CC1=NC(N)=C(CN(C=O)C(C)=C(CCOC(=O)C(C)C)SSC(CCOC(=O)C(C)C)=C(C)N(CC2=CN=C(C)N=C2N)C=O)C=N1"	"?"	"InChI=1S/C32H46N8O6S2/c1-19(2)31(43)45-11-9-27(21(5)39(17-41)15-25-13-35-23(7)37-29(25)33)47-48-28(10-12-46-32(44)20(3)4)22(6)40(18-42)16-26-14-36-24(8)38-30(26)34/h13-14,17-20H,9-12,15-16H2,1-8H3,(H2,33,35,37)(H2,34,36,38)"	"CKHJPWQVLKHBIH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"32861-85-1"	"DTXSID6058055"	"Chlomethoxyfen"	"EPA_DSSTox"	"COC1=CC(=CC=C1[N+]([O-])=O)OC1=CC=C(Cl)C=C1Cl"	"?"	"InChI=1S/C13H9Cl2NO4/c1-19-13-7-9(3-4-11(13)16(17)18)20-12-5-2-8(14)6-10(12)15/h2-7H,1H3"	"DXXVCXKMSWHGTF-UHFFFAOYSA-N"	FALSE	TRUE	18000	4	5
"32887-01-7"	"DTXSID3022584"	"Amdinocillin"	"EPA_DSSTox"	"CC1(C)SC2C(N=CN3CCCCCC3)C(=O)N2C1C(O)=O"	"?"	"InChI=1S/C15H23N3O3S/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17/h9-11,13H,3-8H2,1-2H3,(H,20,21)"	"BWWVAEOLVKTZFQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"32889-48-8"	"DTXSID1034844"	"Procyazine"	"EPA_DSSTox"	"CC(C)(C#N)NC1=NC(NC2CC2)=NC(Cl)=N1"	"?"	"InChI=1S/C10H13ClN6/c1-10(2,5-12)17-9-15-7(11)14-8(16-9)13-6-3-4-6/h6H,3-4H2,1-2H3,(H2,13,14,15,16,17)"	"WUZNHSBFPPFULJ-UHFFFAOYSA-N"	FALSE	FALSE	290	2	3
"32891-29-5"	NA	NA	"Public_CrossChecked"	"CC1(C)CCC2CC(CC1N2C)OC(=O)C(O)(C1=CC=CS1)C1=CC=CS1"	"Cl"	"InChI=1S/C21H27NO3S2/c1-20(2)9-8-14-12-15(13-16(20)22(14)3)25-19(23)21(24,17-6-4-10-26-17)18-7-5-11-27-18/h4-7,10-11,14-16,24H,8-9,12-13H2,1-3H3"	"AMHPTVWBZSYFSS-UHFFFAOYSA-N"	FALSE	FALSE	1182	3	4
"329-01-1"	"DTXSID0027143"	"1-Isocyanato-3-(trifluoromethyl)benzene"	"EPA_DSSTox"	"O=C=NC1C=C(C=CC=1)C(F)(F)F"	"?"	"InChI=1S/C8H4F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H"	"SXJYSIBLFGQAND-UHFFFAOYSA-N"	FALSE	FALSE	975	3	4
"329-21-5"	"DTXSID5042370"	"S-(p-tert-Butylphenyl) O-ethyl ethylphosphonodithioate"	"EPA_DSSTox"	"CC(C)(C)C1C=CC(=CC=1)SP(=S)(CC)OCC"	"?"	"InChI=1S/C14H23OPS2/c1-6-15-16(17,7-2)18-13-10-8-12(9-11-13)14(3,4)5/h8-11H,6-7H2,1-5H3"	"MRARSQDSGPVQSI-UHFFFAOYSA-N"	FALSE	FALSE	141	2	3
"329-56-6"	NA	NA	"Public_CrossChecked"	"NCC(O)C1C=C(O)C(O)=CC=1"	"?"	"InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2"	"SFLSHLFXELFNJZ-UHFFFAOYSA-N"	FALSE	FALSE	132	2	3
"3290-92-4"	"DTXSID3027530"	"Trimethylolpropane trimethacrylate"	"EPA_DSSTox"	"CCC(COC(=O)C(C)=C)(COC(=O)C(C)=C)COC(=O)C(C)=C"	"?"	"InChI=1S/C18H26O6/c1-8-18(9-22-15(19)12(2)3,10-23-16(20)13(4)5)11-24-17(21)14(6)7/h2,4,6,8-11H2,1,3,5,7H3"	"OKKRPWIIYQTPQF-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"3296-90-0"	"DTXSID9020164"	"2,2-Bis(bromomethyl)-1,3-propanediol"	"EPA_DSSTox"	"OCC(CBr)(CBr)CO"	"?"	"InChI=1S/C5H10Br2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2"	"CHUGKEQJSLOLHL-UHFFFAOYSA-N"	FALSE	FALSE	1880	3	4
"32976-88-8"	"DTXSID60186617"	"Ethylnitrosobiuret"	"EPA_DSSTox"	"CCN(N=O)C(=O)NC(N)=O"	"?"	"InChI=1S/C4H8N4O3/c1-2-8(7-11)4(10)6-3(5)9/h2H2,1H3,(H3,5,6,9,10)"	"YVEVBOOTJZJLSH-UHFFFAOYSA-N"	FALSE	FALSE	1050	3	4
"32979-83-2"	NA	NA	"Public_CrossChecked"	"CC(=O)C=CC1C=CC(=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C16H14O/c1-13(17)7-8-14-9-11-16(12-10-14)15-5-3-2-4-6-15/h2-12H,1H3"	"WOYQFGGEPKZWQM-UHFFFAOYSA-N"	FALSE	TRUE	2230	3	5
"32986-56-4"	"DTXSID8023680"	"Tobramycin"	"EPA_DSSTox"	"NCC1OC(OC2C(O)C(OC3OC(CO)C(O)C(N)C3O)C(N)CC2N)C(N)CC1O"	"?"	"InChI=1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2"	"NLVFBUXFDBBNBW-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"32991-48-3"	"DTXSID90186625"	"Acetic acid, (3-phenyl-1,2,4-thiadiazol-5-yl)thio-"	"EPA_DSSTox"	"OC(=O)CSC1=NC(=NS1)C1C=CC=CC=1"	"?"	"InChI=1S/C10H8N2O2S2/c13-8(14)6-15-10-11-9(12-16-10)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)"	"QUEAUAPFDVCMFQ-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"330-55-2"	"DTXSID2024163"	"Linuron"	"EPA_DSSTox"	"CON(C)C(=O)NC1=CC(Cl)=C(Cl)C=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"	FALSE	FALSE	1146	3	4
"330-64-3"	"DTXSID1041471"	"3,5-Diisopropylphenyl methylcarbamate"	"EPA_DSSTox"	"CNC(=O)OC1C=C(C=C(C=1)C(C)C)C(C)C"	"?"	"InChI=1S/C14H21NO2/c1-9(2)11-6-12(10(3)4)8-13(7-11)17-14(16)15-5/h6-10H,1-5H3,(H,15,16)"	"CUTUCYVZTGGYDL-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"3302-10-1"	"DTXSID6029254"	"3,5,5-Trimethylhexanoic acid"	"EPA_DSSTox"	"CC(CC(O)=O)CC(C)(C)C"	"?"	"InChI=1S/C9H18O2/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3,(H,10,11)"	"OILUAKBAMVLXGF-UHFFFAOYSA-N"	FALSE	FALSE	1160	3	4
"33054-87-4"	NA	NA	"Public_CrossChecked"	"CC(Cl)C(NC(=O)C1CC(CN1)CCCCC)C1OC(SC)C(O)C(O)C1O"	"[Cl-]"	"InChI=1S/C19H35ClN2O5S/c1-4-5-6-7-11-8-12(21-9-11)18(26)22-13(10(2)20)17-15(24)14(23)16(25)19(27-17)28-3/h10-17,19,21,23-25H,4-9H2,1-3H3,(H,22,26)"	"UFFIWDQGZCWMIU-UHFFFAOYSA-N"	FALSE	FALSE	1095	3	4
"33060-84-3"	NA	NA	"Public_CrossChecked"	"CCCC[P+](CC1=CC=C(Cl)S1)(CCCC)CCCC"	"[Cl-]"	"InChI=1S/C17H31ClPS/c1-4-7-12-19(13-8-5-2,14-9-6-3)15-16-10-11-17(18)20-16/h10-11H,4-9,12-15H2,1-3H3/q+1"	"NRCBKKLJWKAFNS-UHFFFAOYSA-N"	FALSE	FALSE	455	2	4
"33089-61-1"	"DTXSID5023871"	"Amitraz"	"EPA_DSSTox"	"CN(C=NC1C=CC(C)=CC=1C)C=NC1C=CC(C)=CC=1C"	"?"	"InChI=1S/C19H23N3/c1-14-6-8-18(16(3)10-14)20-12-22(5)13-21-19-9-7-15(2)11-17(19)4/h6-13H,1-5H3"	"QXAITBQSYVNQDR-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"3309-67-9"	NA	NA	"Public_CrossChecked"	"CCOP(=O)(OCC(Cl)CCl)OC=C(Cl)Cl"	"?"	"InChI=1S/C7H11Cl4O4P/c1-2-13-16(12,15-5-7(10)11)14-4-6(9)3-8/h5-6H,2-4H2,1H3"	"BHFXPVGYEDGFFF-UHFFFAOYSA-N"	FALSE	FALSE	66	2	3
"3309-68-0"	"DTXSID10186748"	"Phosphorodithioic acid, O,O-diethyl S-((propylthio)methyl) ester"	"EPA_DSSTox"	"CCCSCSP(=S)(OCC)OCC"	"?"	"InChI=1S/C8H19O2PS3/c1-4-7-13-8-14-11(12,9-5-2)10-6-3/h4-8H2,1-3H3"	"QOVQEVZZHCLMPY-UHFFFAOYSA-N"	TRUE	FALSE	2.8	1	1
"3309-87-3"	"DTXSID4058362"	"DMCP"	"EPA_DSSTox"	"COP(=O)(OC)SC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C8H10ClO3PS/c1-11-13(10,12-2)14-8-5-3-7(9)4-6-8/h3-6H,1-2H3"	"MUPYMRJBEZFVMT-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"33100-27-5"	"DTXSID7067746"	"1,4,7,10,13-Pentaoxacyclopentadecane"	"EPA_DSSTox"	"C1COCCOCCOCCOCCO1"	"?"	"InChI=1S/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2"	"VFTFKUDGYRBSAL-UHFFFAOYSA-N"	FALSE	FALSE	1410	3	4
"3311-54-4"	NA	NA	"Public_CrossChecked"	"CN1CC2C=CC=CC=2C(CCCNC)C2=CC=CC=C12"	"C(=C/C(=O)O)\C(=O)O"	"InChI=1S/C19H24N2/c1-20-13-7-11-17-16-9-4-3-8-15(16)14-21(2)19-12-6-5-10-18(17)19/h3-6,8-10,12,17,20H,7,11,13-14H2,1-2H3"	"KMVBLCCWGMMLKH-UHFFFAOYSA-N"	FALSE	FALSE	331	2	4
"33160-78-0"	NA	NA	"Public_CrossChecked"	"CNC(=O)ON=CC1(C)SC(C)C(C)S1"	"?"	"InChI=1S/C9H16N2O2S2/c1-6-7(2)15-9(3,14-6)5-11-13-8(12)10-4/h5-7H,1-4H3,(H,10,12)"	"NWBLSYWXGOQPQX-UHFFFAOYSA-N"	TRUE	FALSE	2.5	1	1
"33178-86-8"	"DTXSID4022571"	"Alinidine"	"EPA_DSSTox"	"C=CCN(C1C(Cl)=CC=CC=1Cl)C1NCCN=1"	"?"	"InChI=1S/C12H13Cl2N3/c1-2-8-17(12-15-6-7-16-12)11-9(13)4-3-5-10(11)14/h2-5H,1,6-8H2,(H,15,16)"	"OXTYVEUAQHPPMV-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"3319-31-1"	"DTXSID9026265"	"Tris(2-ethylhexyl) trimellitate"	"EPA_DSSTox"	"CCCCC(COC(=O)C1=CC=C(C=C1C(=O)OCC(CCCC)CC)C(=O)OCC(CCCC)CC)CC"	"?"	"InChI=1S/C33H54O6/c1-7-13-16-25(10-4)22-37-31(34)28-19-20-29(32(35)38-23-26(11-5)17-14-8-2)30(21-28)33(36)39-24-27(12-6)18-15-9-3/h19-21,25-27H,7-18,22-24H2,1-6H3"	"KRADHMIOFJQKEZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"332-35-4"	"DTXSID70186845"	"p-Acetanisidide, 2-fluoro-"	"EPA_DSSTox"	"COC1C=CC(=CC=1)NC(=O)CF"	"?"	"InChI=1S/C9H10FNO2/c1-13-8-4-2-7(3-5-8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)"	"IGLKTKBSOHEBDL-UHFFFAOYSA-N"	TRUE	FALSE	10	1	2
"33204-76-1"	NA	NA	"Public_CrossChecked"	"C[Si]1(C)O[Si](C)(O[Si](C)(C)O[Si](C)(O1)C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C18H28O4Si4/c1-23(2)19-25(5,17-13-9-7-10-14-17)21-24(3,4)22-26(6,20-23)18-15-11-8-12-16-18/h7-16H,1-6H3"	"ZTQZMPQJXABFNC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"33207-44-2"	"DTXSID80186856"	"Glycine, N-isobutyl-, 2-(5-nitrofurfurylidene)hydrazide"	"EPA_DSSTox"	"CC(C)CNCC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O"	"?"	"InChI=1S/C11H16N4O4/c1-8(2)5-12-7-10(16)14-13-6-9-3-4-11(19-9)15(17)18/h3-4,6,8,12H,5,7H2,1-2H3,(H,14,16)"	"OHDGFKJVBKWYHH-UHFFFAOYSA-N"	FALSE	FALSE	315	2	4
"33210-37-6"	NA	NA	"Public_CrossChecked"	"CCOC(C1NCCCCN=1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C14H19ClN2O/c1-2-18-13(11-5-7-12(15)8-6-11)14-16-9-3-4-10-17-14/h5-8,13H,2-4,9-10H2,1H3,(H,16,17)"	"OOABKCSOFUFBLV-UHFFFAOYSA-N"	FALSE	FALSE	370	2	4
"33210-40-1"	NA	NA	"Public_CrossChecked"	"CCOC(C1NCC(CN=1)(CC)CC)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C17H25ClN2O/c1-4-17(5-2)11-19-16(20-12-17)15(21-6-3)13-7-9-14(18)10-8-13/h7-10,15H,4-6,11-12H2,1-3H3,(H,19,20)"	"VQNPKMSZUMKNOO-UHFFFAOYSA-N"	FALSE	FALSE	375	2	4
"33210-42-3"	NA	NA	"Public_CrossChecked"	"CCOC(C1NCC(C)(C)CN=1)C1=CC(Cl)=CC=C1"	"?"	"InChI=1S/C15H21ClN2O/c1-4-19-13(11-6-5-7-12(16)8-11)14-17-9-15(2,3)10-18-14/h5-8,13H,4,9-10H2,1-3H3,(H,17,18)"	"BJZGGPBBOQDMIC-UHFFFAOYSA-N"	FALSE	FALSE	95	2	3
"33210-43-4"	NA	NA	"Public_CrossChecked"	"CCOC(C1NCC(CN=1)(CC)CC)C1=CC(Cl)=CC=C1"	"?"	"InChI=1S/C17H25ClN2O/c1-4-17(5-2)11-19-16(20-12-17)15(21-6-3)13-8-7-9-14(18)10-13/h7-10,15H,4-6,11-12H2,1-3H3,(H,19,20)"	"GCBXYRXOIWXXHE-UHFFFAOYSA-N"	FALSE	FALSE	110	2	3
"33210-44-5"	NA	NA	"Public_CrossChecked"	"CCOC(C1NCC(CN=1)(CC)CC)C1C=CC=CC=1"	"?"	"InChI=1S/C17H26N2O/c1-4-17(5-2)12-18-16(19-13-17)15(20-6-3)14-10-8-7-9-11-14/h7-11,15H,4-6,12-13H2,1-3H3,(H,18,19)"	"OWQPLCHSBZKODS-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"33210-47-8"	NA	NA	"Public_CrossChecked"	"COC1C=CC(=CC=1F)C(OCC)C1NCC(C)(C)CN=1"	"?"	"InChI=1S/C16H23FN2O2/c1-5-21-14(15-18-9-16(2,3)10-19-15)11-6-7-13(20-4)12(17)8-11/h6-8,14H,5,9-10H2,1-4H3,(H,18,19)"	"ZOFWONFMAOYWRI-UHFFFAOYSA-N"	FALSE	FALSE	320	2	4
"33210-49-0"	NA	NA	"Public_CrossChecked"	"CC1(CNC(=NC1)C(OCC)C1=CC(F)=CC=C1)CC"	"?"	"InChI=1S/C16H23FN2O/c1-4-16(3)10-18-15(19-11-16)14(20-5-2)12-7-6-8-13(17)9-12/h6-9,14H,4-5,10-11H2,1-3H3,(H,18,19)"	"ITTHQSUWVWGHKT-UHFFFAOYSA-N"	FALSE	FALSE	165	2	3
"33210-54-7"	NA	NA	"Public_CrossChecked"	"CCOC(C1NCCCCN=1)C1C=CC=CC=1"	"?"	"InChI=1S/C14H20N2O/c1-2-17-13(12-8-4-3-5-9-12)14-15-10-6-7-11-16-14/h3-5,8-9,13H,2,6-7,10-11H2,1H3,(H,15,16)"	"BRIQNDUDPPAHFX-UHFFFAOYSA-N"	FALSE	FALSE	375	2	4
"33210-59-2"	NA	NA	"Public_CrossChecked"	"CCOC(C1NCCCN=1)C1=CC(Cl)=CC=C1"	"?"	"InChI=1S/C13H17ClN2O/c1-2-17-12(13-15-7-4-8-16-13)10-5-3-6-11(14)9-10/h3,5-6,9,12H,2,4,7-8H2,1H3,(H,15,16)"	"WYRDRPRHTLDEAT-UHFFFAOYSA-N"	FALSE	FALSE	695	3	4
"33210-62-7"	NA	NA	"Public_CrossChecked"	"COC1CNC(=NC1)C(OCC)C1=CC=CC=C1"	"?"	"InChI=1S/C14H20N2O2/c1-3-18-13(11-7-5-4-6-8-11)14-15-9-12(17-2)10-16-14/h4-8,12-13H,3,9-10H2,1-2H3,(H,15,16)"	"LVVRBQRKVCNRTI-UHFFFAOYSA-N"	FALSE	FALSE	875	3	4
"33213-82-0"	NA	NA	"Public_CrossChecked"	"COC1C=CC(=CC=1)C(OCC)C1NCC(C)(C)CN=1"	"?"	"InChI=1S/C16H24N2O2/c1-5-20-14(12-6-8-13(19-4)9-7-12)15-17-10-16(2,3)11-18-15/h6-9,14H,5,10-11H2,1-4H3,(H,17,18)"	"IZFSWUPKYHBZTF-UHFFFAOYSA-N"	FALSE	FALSE	625	3	4
"33215-59-7"	NA	NA	"Public_CrossChecked"	"[O-][N+](=O)C1C=C(C=NOCC2C=C(C=CC=2)[N+]([O-])=O)C=CC=1"	"?"	"InChI=1S/C14H11N3O5/c18-16(19)13-5-1-3-11(7-13)9-15-22-10-12-4-2-6-14(8-12)17(20)21/h1-9H,10H2"	"RQZAENCTGVKDBU-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"33215-60-0"	NA	NA	"Public_CrossChecked"	"[O-][N+](=O)C1C=C(CON=CC2C=CC(=CC=2)[N+]([O-])=O)C=CC=1"	"?"	"InChI=1S/C14H11N3O5/c18-16(19)13-6-4-11(5-7-13)9-15-22-10-12-2-1-3-14(8-12)17(20)21/h1-9H,10H2"	"YAPIGDWFNPNBAO-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"3322-93-8"	"DTXSID8024947"	"1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane"	"EPA_DSSTox"	"BrCC(Br)C1CC(Br)C(Br)CC1"	"?"	"InChI=1S/C8H12Br4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h5-8H,1-4H2"	"PQRRSJBLKOPVJV-UHFFFAOYSA-N"	FALSE	TRUE	3220	3	5
"33232-39-2"	NA	NA	"Public_CrossChecked"	"CN(C)CCN1C(=O)C(OC(C)=O)C(SC2C=CC=CC1=2)C1C=CC(=CC=1)OC"	"Cl"	"InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3"	"HSUGRBWQSSZJOP-UHFFFAOYSA-N"	FALSE	FALSE	560	3	4
"33232-85-8"	NA	NA	"Public_CrossChecked"	"CC1C=CC(=CC=1)OP(=O)(CC)OC"	"?"	"InChI=1S/C10H15O3P/c1-4-14(11,12-3)13-10-7-5-9(2)6-8-10/h5-8H,4H2,1-3H3"	"CASOOGVFSAQCQG-UHFFFAOYSA-N"	FALSE	FALSE	475	2	4
"33232-87-0"	NA	NA	"Public_CrossChecked"	"COP(=O)(CC)OC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C9H12ClO3P/c1-3-14(11,12-2)13-9-6-4-8(10)5-7-9/h4-7H,3H2,1-2H3"	"LTMFLDGAGUOMEM-UHFFFAOYSA-N"	FALSE	FALSE	98	2	3
"33235-81-3"	NA	NA	"Public_CrossChecked"	"CCOC(C1NCCCN=1)C1C=CC=CC=1"	"?"	"InChI=1S/C13H18N2O/c1-2-16-12(11-7-4-3-5-8-11)13-14-9-6-10-15-13/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,14,15)"	"FWVXQIIZIYQFSF-UHFFFAOYSA-N"	FALSE	FALSE	1540	3	4
"33235-90-4"	NA	NA	"Public_CrossChecked"	"CCOC(C1NCCCN=1)C1C=CC=C2C=CC=CC2=1"	"?"	"InChI=1S/C17H20N2O/c1-2-20-16(17-18-11-6-12-19-17)15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10,16H,2,6,11-12H2,1H3,(H,18,19)"	"PKKRHRYCPUGUDD-UHFFFAOYSA-N"	FALSE	FALSE	375	2	4
"33235-92-6"	NA	NA	"Public_CrossChecked"	"CCOC(C1NCCCN=1)C1=CC(F)=CC=C1"	"?"	"InChI=1S/C13H17FN2O/c1-2-17-12(13-15-7-4-8-16-13)10-5-3-6-11(14)9-10/h3,5-6,9,12H,2,4,7-8H2,1H3,(H,15,16)"	"VPFUOBXRNMBNCX-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"33235-97-1"	NA	NA	"Public_CrossChecked"	"CCCOC(C1NCCCN=1)C1C=CC=CC=1"	"?"	"InChI=1S/C14H20N2O/c1-2-11-17-13(12-7-4-3-5-8-12)14-15-9-6-10-16-14/h3-5,7-8,13H,2,6,9-11H2,1H3,(H,15,16)"	"RJSAKOPQHUEJMG-UHFFFAOYSA-N"	FALSE	FALSE	625	3	4
"33236-00-9"	NA	NA	"Public_CrossChecked"	"CCCCOC(C1NCCCN=1)C1C=CC=CC=1"	"?"	"InChI=1S/C15H22N2O/c1-2-3-12-18-14(13-8-5-4-6-9-13)15-16-10-7-11-17-15/h4-6,8-9,14H,2-3,7,10-12H2,1H3,(H,16,17)"	"GXFOCBPQGIBWNY-UHFFFAOYSA-N"	FALSE	FALSE	310	2	4
"33236-02-1"	NA	NA	"Public_CrossChecked"	"CCOC(C1NCC(C)(C)CN=1)C1C=CC=CC=1"	"?"	"InChI=1S/C15H22N2O/c1-4-18-13(12-8-6-5-7-9-12)14-16-10-15(2,3)11-17-14/h5-9,13H,4,10-11H2,1-3H3,(H,16,17)"	"GAHPHLOWOBWQPO-UHFFFAOYSA-N"	FALSE	FALSE	875	3	4
"33236-04-3"	NA	NA	"Public_CrossChecked"	"CCCCN1CCCN=C1C(OCC)C1C=CC=CC=1"	"?"	"InChI=1S/C17H26N2O/c1-3-5-13-19-14-9-12-18-17(19)16(20-4-2)15-10-7-6-8-11-15/h6-8,10-11,16H,3-5,9,12-14H2,1-2H3"	"ZTUBKTSYJXSXFD-UHFFFAOYSA-N"	FALSE	FALSE	220	2	3
"33236-05-4"	NA	NA	"Public_CrossChecked"	"CC1(CNC(=NC1)C(OCC)C1C=CC(Cl)=CC=1)CC"	"?"	"InChI=1S/C16H23ClN2O/c1-4-16(3)10-18-15(19-11-16)14(20-5-2)12-6-8-13(17)9-7-12/h6-9,14H,4-5,10-11H2,1-3H3,(H,18,19)"	"IEFJIDVVCUPGAG-UHFFFAOYSA-N"	FALSE	FALSE	110	2	3
"33236-06-5"	NA	NA	"Public_CrossChecked"	"CCOC(C1NCC(C)(C)CN=1)C1C=CC=CC=1Cl"	"?"	"InChI=1S/C15H21ClN2O/c1-4-19-13(11-7-5-6-8-12(11)16)14-17-9-15(2,3)10-18-14/h5-8,13H,4,9-10H2,1-3H3,(H,17,18)"	"ZAHVNERNIHOLHD-UHFFFAOYSA-N"	FALSE	FALSE	310	2	4
"33236-08-7"	NA	NA	"Public_CrossChecked"	"CC(C)C1C=CC(=CC=1)C(OCC)C1NCC(C)(C)CN=1"	"?"	"InChI=1S/C18H28N2O/c1-6-21-16(17-19-11-18(4,5)12-20-17)15-9-7-14(8-10-15)13(2)3/h7-10,13,16H,6,11-12H2,1-5H3,(H,19,20)"	"CRMJRZLMMIGBIV-UHFFFAOYSA-N"	FALSE	FALSE	220	2	3
"33236-09-8"	NA	NA	"Public_CrossChecked"	"CCOC(C1NCC(C)(C)CN=1)C1=CC(F)=CC=C1"	"?"	"InChI=1S/C15H21FN2O/c1-4-19-13(11-6-5-7-12(16)8-11)14-17-9-15(2,3)10-18-14/h5-8,13H,4,9-10H2,1-3H3,(H,17,18)"	"NPQLTTSOQVUXSG-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"33236-10-1"	NA	NA	"Public_CrossChecked"	"CCOC(C1NCC(C)(C)CN=1)C1C=CC=C2C=CC=CC2=1"	"?"	"InChI=1S/C19H24N2O/c1-4-22-17(18-20-12-19(2,3)13-21-18)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,17H,4,12-13H2,1-3H3,(H,20,21)"	"ORLHXLIZFDRCKV-UHFFFAOYSA-N"	FALSE	FALSE	55	2	3
"33236-11-2"	NA	NA	"Public_CrossChecked"	"CCOC(C1=CC=CC=C1)C1NCC(O)CN=1"	"?"	"InChI=1S/C13H18N2O2/c1-2-17-12(10-6-4-3-5-7-10)13-14-8-11(16)9-15-13/h3-7,11-12,16H,2,8-9H2,1H3,(H,14,15)"	"YKAMYNVDXCQWSX-UHFFFAOYSA-N"	FALSE	FALSE	1750	3	4
"33236-13-4"	NA	NA	"Public_CrossChecked"	"CCC(OCC)(C1NCCCN=1)C1C=CC=CC=1"	"?"	"InChI=1S/C15H22N2O/c1-3-15(18-4-2,13-9-6-5-7-10-13)14-16-11-8-12-17-14/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,16,17)"	"GXALRRQURQOPEN-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"33236-21-4"	NA	NA	"Public_CrossChecked"	"CCCOC(C1NCCN=1)C1C=CC=CC=1"	"?"	"InChI=1S/C13H18N2O/c1-2-10-16-12(13-14-8-9-15-13)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,14,15)"	"QNGDOQFAQQYFNF-UHFFFAOYSA-N"	FALSE	FALSE	350	2	4
"33245-39-5"	"DTXSID9032614"	"Fluchloralin"	"EPA_DSSTox"	"CCCN(CCCl)C1C(=CC(=CC=1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O"	"?"	"InChI=1S/C12H13ClF3N3O4/c1-2-4-17(5-3-13)11-9(18(20)21)6-8(12(14,15)16)7-10(11)19(22)23/h6-7H,2-5H2,1H3"	"MNFMIVVPXOGUMX-UHFFFAOYSA-N"	FALSE	FALSE	1550	3	4
"33267-37-7"	NA	NA	"Public_CrossChecked"	"COP(=O)(CC)OC1C=CC(=CC=1)S(C)(=O)=O"	"?"	"InChI=1S/C10H15O5PS/c1-4-16(11,14-2)15-9-5-7-10(8-6-9)17(3,12)13/h5-8H,4H2,1-3H3"	"KULCGIYIYPVRSM-UHFFFAOYSA-N"	TRUE	FALSE	0.8	1	1
"33286-22-5"	"DTXSID8040147"	"Diltiazem hydrochloride"	"EPA_DSSTox"	"CN(C)CCN1C(=O)C(OC(C)=O)C(SC2C=CC=CC1=2)C1C=CC(=CC=1)OC"	"Cl"	"InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3"	"HSUGRBWQSSZJOP-UHFFFAOYSA-N"	FALSE	FALSE	560	3	4
"333-20-0"	"DTXSID7029619"	"Potassium thiocyanate"	"EPA_DSSTox"	"N#CS"	"[K+]"	"InChI=1S/CHNS/c2-1-3/h3H"	"ZMZDMBWJUHKJPS-UHFFFAOYSA-N"	FALSE	FALSE	854	3	4
"333-29-9"	"DTXSID8075388"	"Phosphoramidothioic acid, 1,3-dithiolan-2-ylidene-, O,O-diethyl ester"	"EPA_DSSTox"	"CCOP(=S)(N=C1SCCS1)OCC"	"?"	"InChI=1S/C7H14NO2PS3/c1-3-9-11(12,10-4-2)8-7-13-5-6-14-7/h3-6H2,1-2H3"	"YWITZONHXPIYDK-UHFFFAOYSA-N"	TRUE	FALSE	14	1	2
"333-40-4"	"DTXSID2042228"	"O,O-Diethyl S-(4,6-dimethyl-2-pyrimidyl) dithiophosphate"	"EPA_DSSTox"	"CC1=CC(C)=NC(=N1)SP(=S)(OCC)OCC"	"?"	"InChI=1S/C10H17N2O2PS2/c1-5-13-15(16,14-6-2)17-10-11-8(3)7-9(4)12-10/h7H,5-6H2,1-4H3"	"XAXZWQJVIDHWCT-UHFFFAOYSA-N"	FALSE	FALSE	59	2	3
"3332-27-2"	"DTXSID2029660"	"1-Tetradecanamine, N,N-dimethyl-, N-oxide"	"EPA_DSSTox"	"CCCCCCCCCCCCCC[N+](C)(C)[O-]"	"?"	"InChI=1S/C16H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2,3)18/h4-16H2,1-3H3"	"ONHFWHCMZAJCFB-UHFFFAOYSA-N"	FALSE	NA	NA	NA	NA
"33330-89-1"	"DTXSID20879538"	"2-(3,3-DIME-1-TRIAZINO)BENZAMIDE"	"EPA_DSSTox"	"CN(C)N=NC1=CC=CC=C1C(=N)O"	"?"	"InChI=1S/C9H12N4O/c1-13(2)12-11-8-6-4-3-5-7(8)9(10)14/h3-6H,1-2H3,(H2,10,14)"	"BPIUKMIZYGZZRF-UHFFFAOYSA-N"	FALSE	FALSE	56	2	3
"33330-91-5"	"DTXSID60879537"	"4-(3,3-DIME-1-TRIAZINO)BENZAMIDE"	"EPA_DSSTox"	"CN(C)N=NC1C=CC(=CC=1)C(N)=O"	"?"	"InChI=1S/C9H12N4O/c1-13(2)12-11-8-5-3-7(4-6-8)9(10)14/h3-6H,1-2H3,(H2,10,14)"	"NRVPCDAKWQWYRU-UHFFFAOYSA-N"	FALSE	FALSE	54	2	3
"33353-01-4"	NA	NA	"Public_CrossChecked"	"CC(=O)C[N+]1(CC(N)=O)C2C=C(Cl)C=CC=2SC1=O"	"?"	"InChI=1S/C12H11ClN2O3S/c1-7(16)5-15(6-11(14)17)9-4-8(13)2-3-10(9)19-12(15)18/h2-4H,5-6H2,1H3,(H-,14,17)/p+1"	"FHHKPDQQBBEQGR-UHFFFAOYSA-O"	FALSE	TRUE	NA	3	5
"33354-22-2"	"DTXSID20186971"	"2-Benzothiazolinone, 5-chloro-3-(4-methylpiperazin-1-yl)carbonylmethyl-"	"EPA_DSSTox"	"CN1CCN(CC1)C(=O)CN1C2C=C(Cl)C=CC=2SC1=O"	"?"	"InChI=1S/C14H16ClN3O2S/c1-16-4-6-17(7-5-16)13(19)9-18-11-8-10(15)2-3-12(11)21-14(18)20/h2-3,8H,4-7,9H2,1H3"	"YODVPSXHHYUKSG-UHFFFAOYSA-N"	FALSE	FALSE	640	3	4
"33368-94-4"	NA	NA	"Public_CrossChecked"	"CC1NC(=S)NC1=O"	"?"	"InChI=1S/C4H6N2OS/c1-2-3(7)6-4(8)5-2/h2H,1H3,(H2,5,6,7,8)"	"HYDZMARBTYAIMU-UHFFFAOYSA-N"	FALSE	FALSE	1050	3	4
"3337-71-1"	"DTXSID8023890"	"Asulam"	"EPA_DSSTox"	"COC(=O)NS(=O)(=O)C1C=CC(N)=CC=1"	"?"	"InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)"	"VGPYEHKOIGNJKV-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"33399-00-7"	"DTXSID1058056"	"Bromfenvinphos"	"EPA_DSSTox"	"CCOP(=O)(OC(=CBr)C1=CC=C(Cl)C=C1Cl)OCC"	"?"	"InChI=1S/C12H14BrCl2O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3"	"ORDKAVSHIKNMAN-UHFFFAOYSA-N"	TRUE	FALSE	21.4	1	2
"334-48-5"	"DTXSID9021554"	"Decanoic acid"	"EPA_DSSTox"	"CCCCCCCCCC(O)=O"	"?"	"InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)"	"GHVNFZFCNZKVNT-UHFFFAOYSA-N"	FALSE	TRUE	3320	3	5
"334-56-5"	"DTXSID5059826"	"Decane, 1-fluoro-"	"EPA_DSSTox"	"CCCCCCCCCCF"	"?"	"InChI=1S/C10H21F/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3"	"LHLRHWJTTUCDQA-UHFFFAOYSA-N"	TRUE	FALSE	5	1	2
"33400-47-4"	NA	NA	"Public_CrossChecked"	"CCOC(=O)NC1C=CC(NC(CC2C=CC=CC=2)C2C=CC=CC=2)=NC=1N"	"Cl"	"InChI=1S/C22H24N4O2/c1-2-28-22(27)25-18-13-14-20(26-21(18)23)24-19(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16/h3-14,19H,2,15H2,1H3,(H,25,27)(H3,23,24,26)"	"IAJUFTCIVJUAIV-UHFFFAOYSA-N"	FALSE	FALSE	163	2	3
"33401-94-4"	"DTXSID4048858"	"Pyrantel tartrate"	"EPA_DSSTox"	"CN1CCCN=C1C=CC1=CC=CS1"	"C([C@H](O)[C@H](C(O)=O)O)(O)=O"	"InChI=1S/C11H14N2S/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h2,4-6,9H,3,7-8H2,1H3"	"YSAUAVHXTIETRK-UHFFFAOYSA-N"	FALSE	FALSE	170	2	3
"33402-03-8"	"DTXSID1045580"	"Metaraminol bitartrate"	"EPA_DSSTox"	"CC(N)C(O)C1=CC(O)=CC=C1"	"O[C@@H]([C@@H](O)C(O)=O)C(O)=O"	"InChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3"	"WXFIGDLSSYIKKV-UHFFFAOYSA-N"	FALSE	FALSE	240	2	3
"33419-42-0"	"DTXSID5023035"	"Etoposide"	"EPA_DSSTox"	"CC1OC2C(CO1)OC(OC1C3COC(=O)C3C(C3C=C4OCOC4=CC=31)C1=CC(OC)=C(O)C(=C1)OC)C(O)C2O"	"?"	"InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3"	"VJJPUSNTGOMMGY-UHFFFAOYSA-N"	FALSE	FALSE	1784	3	4
"33433-85-1"	"DTXSID40187081"	"Benzeneacetic acid, 3-chloro-4-cyclohexyl-"	"EPA_DSSTox"	"OC(=O)CC1C=CC(C2CCCCC2)=C(Cl)C=1"	"?"	"InChI=1S/C14H17ClO2/c15-13-8-10(9-14(16)17)6-7-12(13)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,16,17)"	"NOSBFRZPIIBRLZ-UHFFFAOYSA-N"	FALSE	FALSE	83	2	3
"33439-45-1"	"DTXSID60187083"	"Fluothiuron [ISO]"	"EPA_DSSTox"	"CN(C)C(=O)NC1C=C(Cl)C(=CC=1)SC(F)(F)Cl"	"?"	"InChI=1S/C10H10Cl2F2N2OS/c1-16(2)9(17)15-6-3-4-8(7(11)5-6)18-10(12,13)14/h3-5H,1-2H3,(H,15,17)"	"YFEUKKUPOVGUIW-UHFFFAOYSA-N"	FALSE	FALSE	336	2	4
"3344-11-4"	NA	NA	"Public_CrossChecked"	"CSP(=O)(OC)SCC(=O)NC"	"?"	"InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(8,9-2)11-3/h4H2,1-3H3,(H,6,7)"	"IRZFDJFTOCCEPS-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"3344-12-5"	"DTXSID9058363"	"Isomalathion (metabolite of malathion)"	"EPA_DSSTox"	"CSP(=O)(OC)SC(CC(=O)OCC)C(=O)OCC"	"?"	"InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(13,14-3)18-4/h8H,5-7H2,1-4H3"	"LPQDGVLVYVULMX-UHFFFAOYSA-N"	FALSE	FALSE	113	2	3
"3344-14-7"	NA	NA	"Public_CrossChecked"	"CC1C=C(C=CC=1[N+]([O-])=O)OP(=O)(OC)SC"	"?"	"InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(13,14-2)17-3/h4-6H,1-3H3"	"OVDMPFAESMMFPC-UHFFFAOYSA-N"	FALSE	FALSE	315	2	4
"33446-90-1"	NA	NA	"Public_CrossChecked"	"CC(CCCCCC)P(=O)(C(C)CCCCCC)C(C)CCCCCC"	"?"	"InChI=1S/C24H51OP/c1-7-10-13-16-19-22(4)26(25,23(5)20-17-14-11-8-2)24(6)21-18-15-12-9-3/h22-24H,7-21H2,1-6H3"	"JNSVEJQHLBSWIJ-UHFFFAOYSA-N"	FALSE	TRUE	7270	4	5
"33453-19-9"	"DTXSID80187101"	"2(1H)-Quinazolinone, 6-chloro-1-(cyclopropylmethyl)-4-phenyl-"	"EPA_DSSTox"	"O=C1N=C(C2=CC(Cl)=CC=C2N1CC1CC1)C1C=CC=CC=1"	"?"	"InChI=1S/C18H15ClN2O/c19-14-8-9-16-15(10-14)17(13-4-2-1-3-5-13)20-18(22)21(16)11-12-6-7-12/h1-5,8-10,12H,6-7,11H2"	"IXVBNJRBXHFFPQ-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"33467-73-1"	"DTXSID1047572"	"(3Z)-Hex-3-en-1-yl formate"	"EPA_DSSTox"	"CCC=CCCOC=O"	"?"	"InChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h3-4,7H,2,5-6H2,1H3"	"XJHQVZQZUGLZLS-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"33467-74-2"	"DTXSID6047579"	"(3Z)-Hex-3-en-1-yl propanoate"	"EPA_DSSTox"	"CCC(=O)OCCC=CCC"	"?"	"InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h5-6H,3-4,7-8H2,1-2H3"	"LGTLDEUQCOJGFP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3347-22-6"	"DTXSID8040270"	"Dithianon"	"EPA_DSSTox"	"N#CC1SC2=C(SC=1C#N)C(=O)C1C=CC=CC=1C2=O"	"?"	"InChI=1S/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H"	"PYZSVQVRHDXQSL-UHFFFAOYSA-N"	FALSE	FALSE	638	3	4
"33484-49-0"	NA	NA	"Public_CrossChecked"	"CCCOC(=O)c1c[n+](C)c2CCCC(C)[n]2c1=O"	"COS(=O)(=O)[O-]"	"InChI=1S/C14H21N2O3/c1-4-8-19-14(18)11-9-15(3)12-7-5-6-10(2)16(12)13(11)17/h9-10H,4-8H2,1-3H3/q+1"	"OFPYTUBWIXITOS-UHFFFAOYSA-N"	FALSE	FALSE	1807	3	4
"33484-50-3"	NA	NA	"Public_CrossChecked"	"CC(C)OC(=O)c1c[n+](C)c2CCCC(C)[n]2c1=O"	"COS(=O)(=O)[O-]"	"InChI=1S/C14H21N2O3/c1-9(2)19-14(18)11-8-15(4)12-7-5-6-10(3)16(12)13(11)17/h8-10H,5-7H2,1-4H3/q+1"	"BVZJNVUSPRRLCL-UHFFFAOYSA-N"	FALSE	FALSE	1205	3	4
"33484-51-4"	NA	NA	"Public_CrossChecked"	"CCCCOC(=O)c1c[n+](C)c2CCCC(C)[n]2c1=O"	"COS(=O)(=O)[O-]"	"InChI=1S/C15H23N2O3/c1-4-5-9-20-15(19)12-10-16(3)13-8-6-7-11(2)17(13)14(12)18/h10-11H,4-9H2,1-3H3/q+1"	"ISMRUNFIJYDZCF-UHFFFAOYSA-N"	FALSE	FALSE	1367	3	4
"33494-80-3"	"DTXSID20635479"	"Potassium di-tert-butyl phosphate"	"EPA_DSSTox"	"CC(C)(C)OP(O)(=O)OC(C)(C)C"	"[K+]"	"InChI=1S/C8H19O4P/c1-7(2,3)11-13(9,10)12-8(4,5)6/h1-6H3,(H,9,10)"	"YEWZQCDRZRYAEB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"33494-81-4"	"DTXSID50330480"	"Di-tert-butyl hydrogen phosphate"	"EPA_DSSTox"	"CC(C)(C)OP(O)(=O)OC(C)(C)C"	"?"	"InChI=1S/C8H19O4P/c1-7(2,3)11-13(9,10)12-8(4,5)6/h1-6H3,(H,9,10)"	"YEWZQCDRZRYAEB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"33499-11-5"	NA	NA	"Public_CrossChecked"	"CC1CCCC2N1C(=O)C(=CN2C(=O)CC)C(=O)OCC"	"?"	"InChI=1S/C15H22N2O4/c1-4-13(18)16-9-11(15(20)21-5-2)14(19)17-10(3)7-6-8-12(16)17/h9-10,12H,4-8H2,1-3H3"	"ACCGTCAIJGCXOV-UHFFFAOYSA-N"	FALSE	TRUE	2973	3	5
"33499-13-7"	NA	NA	"Public_CrossChecked"	"CC1CCCC2N1C(=O)C(=CN2C(=O)OCC)C(=O)OCC"	"?"	"InChI=1S/C15H22N2O5/c1-4-21-14(19)11-9-16(15(20)22-5-2)12-8-6-7-10(3)17(12)13(11)18/h9-10,12H,4-8H2,1-3H3"	"GWPXTDUBJRCQNE-UHFFFAOYSA-N"	FALSE	FALSE	1521	3	4
"33499-14-8"	NA	NA	"Public_CrossChecked"	"CN1CC(C(=O)OCC)C(=O)N2C1CCCC2C"	"?"	"InChI=1S/C13H22N2O3/c1-4-18-13(17)10-8-14(3)11-7-5-6-9(2)15(11)12(10)16/h9-11H,4-8H2,1-3H3"	"HGVRNDCUBSOXSG-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"335-76-2"	"DTXSID3031860"	"PFDA"	"EPA_DSSTox"	"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"	FALSE	FALSE	57	2	3
"335104-84-2"	"DTXSID5047037"	"Tembotrione"	"EPA_DSSTox"	"CS(=O)(=O)C1C=CC(=C(Cl)C=1COCC(F)(F)F)C(=O)C1C(=O)CCCC1=O"	"?"	"InChI=1S/C17H16ClF3O6S/c1-28(25,26)13-6-5-9(15(18)10(13)7-27-8-17(19,20)21)16(24)14-11(22)3-2-4-12(14)23/h5-6,14H,2-4,7-8H2,1H3"	"IUQAXCIUEPFPSF-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"335153-21-4"	"DTXSID60457713"	"2-(2-Formyl-4-nitrophenoxy)hexanoic acid"	"EPA_DSSTox"	"CCCCC(OC1=CC=C(C=C1C=O)[N+]([O-])=O)C(O)=O"	"?"	"InChI=1S/C13H15NO6/c1-2-3-4-12(13(16)17)20-11-6-5-10(14(18)19)7-9(11)8-15/h5-8,12H,2-4H2,1H3,(H,16,17)"	"BQZBIATZHUXDFL-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"33545-23-2"	"DTXSID70187231"	"Ethanolamine benzoate"	"EPA_DSSTox"	"NCCOC(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C9H11NO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-7,10H2"	"JOTMFOWEVMXFHO-UHFFFAOYSA-N"	FALSE	TRUE	9274	4	5
"3356-57-8"	NA	NA	"Public_CrossChecked"	"COP(=S)(OC1C=CC(=CC=1)SSC1C=CC(=CC=1)OP(=S)(OC)OC)OC"	"?"	"InChI=1S/C16H20O6P2S4/c1-17-23(25,18-2)21-13-5-9-15(10-6-13)27-28-16-11-7-14(8-12-16)22-24(26,19-3)20-4/h5-12H,1-4H3"	"NCPYQDKEACAFNC-UHFFFAOYSA-N"	TRUE	FALSE	12	1	2
"33564-30-6"	"DTXSID8048995"	"Cefoxitin sodium salt"	"EPA_DSSTox"	"COC1(NC(=O)CC2=CC=CS2)C2SCC(COC(N)=O)=C(C(O)=O)N2C1=O"	"[Na+]"	"InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)"	"WZOZEZRFJCJXNZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"33564-31-7"	"DTXSID8045646"	"Diflorasone diacetate"	"EPA_DSSTox"	"CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(OC(C)=O)C(=O)COC(C)=O"	"?"	"InChI=1S/C26H32F2O7/c1-13-8-17-18-10-20(27)19-9-16(31)6-7-23(19,4)25(18,28)21(32)11-24(17,5)26(13,35-15(3)30)22(33)12-34-14(2)29/h6-7,9,13,17-18,20-21,32H,8,10-12H2,1-5H3"	"BOBLHFUVNSFZPJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"3365-99-9"	NA	NA	"Public_CrossChecked"	"ClC1C=CC(=CC=1)N=NC1C=CC(NCCCN2CCCCC2)=C2CCCCC2=1"	"?"	"InChI=1S/C24H31ClN4/c25-19-9-11-20(12-10-19)27-28-24-14-13-23(21-7-2-3-8-22(21)24)26-15-6-18-29-16-4-1-5-17-29/h9-14,26H,1-8,15-18H2"	"CSHZDAXDYRNRJU-UHFFFAOYSA-N"	FALSE	FALSE	1122	3	4
"3366-61-8"	"DTXSID4036853"	"N-Acetylbenzidine"	"EPA_DSSTox"	"CC(=O)NC1C=CC(=CC=1)C1C=CC(N)=CC=1"	"?"	"InChI=1S/C14H14N2O/c1-10(17)16-14-8-4-12(5-9-14)11-2-6-13(15)7-3-11/h2-9H,15H2,1H3,(H,16,17)"	"DZQXBXZZSKPMDV-UHFFFAOYSA-N"	FALSE	FALSE	1630	3	4
"33665-90-6"	"DTXSID0048006"	"Acesulfame"	"EPA_DSSTox"	"CC1=CC(=O)NS(=O)(=O)O1"	"?"	"InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)"	"YGCFIWIQZPHFLU-UHFFFAOYSA-N"	FALSE	TRUE	7430	4	5
"3369-52-6"	"DTXSID0052704"	"Endosulfan ether"	"EPA_DSSTox"	"ClC1(Cl)C2(Cl)C3COCC3C1(Cl)C(Cl)=C2Cl"	"?"	"InChI=1S/C9H6Cl6O/c10-5-6(11)8(13)4-2-16-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2"	"CKPWHXBGVRURFU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"33704-61-9"	"DTXSID8047399"	"Dihydro-1,1,2,3,3-pentamethyl-4(5H)-indanone"	"EPA_DSSTox"	"CC1(C)C(C)C(C)(C)C2CCCC(=O)C1=2"	"?"	"InChI=1S/C14H22O/c1-9-13(2,3)10-7-6-8-11(15)12(10)14(9,4)5/h9H,6-8H2,1-5H3"	"MIZGSAALSYARKU-UHFFFAOYSA-N"	FALSE	TRUE	2901	3	5
"33755-46-3"	"DTXSID3022904"	"Dexamethasone valerate"	"EPA_DSSTox"	"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(OC(=O)CCCC)C(=O)CO"	"?"	"InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3"	"SNHRLVCMMWUAJD-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"33765-68-3"	"DTXSID8048814"	"Oxendolone"	"EPA_DSSTox"	"CCC1CC2C3CCC4=CC(=O)CCC4C3CCC2(C)C1O"	"?"	"InChI=1S/C20H30O2/c1-3-12-11-18-17-6-4-13-10-14(21)5-7-15(13)16(17)8-9-20(18,2)19(12)22/h10,12,15-19,22H,3-9,11H2,1-2H3"	"FCKLFGKATYPJPG-UHFFFAOYSA-N"	FALSE	TRUE	12105	4	5
"33765-80-9"	"DTXSID10187432"	"17beta-Acetoxy-16beta-ethylestr-4-en-3-one"	"EPA_DSSTox"	"CC(=O)OC1C(CC2C3CCC4=CC(=O)CCC4C3CCC21C)CC"	"?"	"InChI=1S/C22H32O3/c1-4-14-12-20-19-7-5-15-11-16(24)6-8-17(15)18(19)9-10-22(20,3)21(14)25-13(2)23/h11,14,17-21H,4-10,12H2,1-3H3"	"CFEWNKYXYQEFOP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3380-34-5"	"DTXSID5032498"	"Triclosan"	"EPA_DSSTox"	"OC1C=C(Cl)C=CC=1OC1C=CC(Cl)=CC=1Cl"	"?"	"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"	FALSE	TRUE	3700	3	5
"33813-20-6"	"DTXSID70187473"	"ETEM [BSI]"	"EPA_DSSTox"	"S=C1SSC2=NCCN21"	"?"	"InChI=1S/C4H4N2S3/c7-4-6-2-1-5-3(6)8-9-4/h1-2H2"	"BFTGQIQVUVTBJU-UHFFFAOYSA-N"	FALSE	FALSE	380	2	4
"33820-53-0"	"DTXSID8024157"	"Isopropalin"	"EPA_DSSTox"	"CC(C)C1=CC(=C(C(=C1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O"	"?"	"InChI=1S/C15H23N3O4/c1-5-7-16(8-6-2)15-13(17(19)20)9-12(11(3)4)10-14(15)18(21)22/h9-11H,5-8H2,1-4H3"	"NEKOXWSIMFDGMA-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3383-96-8"	"DTXSID1032484"	"Temephos"	"EPA_DSSTox"	"COP(=S)(OC1C=CC(=CC=1)SC1C=CC(=CC=1)OP(=S)(OC)OC)OC"	"?"	"InChI=1S/C16H20O6P2S3/c1-17-23(25,18-2)21-13-5-9-15(10-6-13)27-16-11-7-14(8-12-16)22-24(26,19-3)20-4/h5-12H,1-4H3"	"WWJZWCUNLNYYAU-UHFFFAOYSA-N"	FALSE	FALSE	444	2	4
"33841-12-2"	"DTXSID60187487"	"Phosphorothioic acid, O-(4-cyanophenyl) O,O-diethyl ester"	"EPA_DSSTox"	"CCOP(=S)(OC1C=CC(=CC=1)C#N)OCC"	"?"	"InChI=1S/C11H14NO3PS/c1-3-13-16(17,14-4-2)15-11-7-5-10(9-12)6-8-11/h5-8H,3-4H2,1-2H3"	"ZTWCAPLAWBCSOW-UHFFFAOYSA-N"	TRUE	FALSE	10	1	2
"3385-03-3"	"DTXSID1045534"	"Flunisolide"	"EPA_DSSTox"	"CC1(C)OC2CC3C4CC(F)C5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(O1)C(=O)CO"	"?"	"InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3"	"XSFJVAJPIHIPKU-UHFFFAOYSA-N"	TRUE	FALSE	NA	1	1
"3385-21-5"	"DTXSID10863163"	"1,3-Cyclohexanediamine"	"EPA_DSSTox"	"NC1CC(N)CCC1"	"?"	"InChI=1S/C6H14N2/c7-5-2-1-3-6(8)4-5/h5-6H,1-4,7-8H2"	"GEQHKFFSPGPGLN-UHFFFAOYSA-N"	FALSE	FALSE	390	2	4
"3385-61-3"	NA	NA	"Public_CrossChecked"	"OC1CC2CC1C1CC=CC21"	"?"	"InChI=1S/C10H14O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h1-2,6-11H,3-5H2"	"HIPPBUJQSIICJN-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"33857-23-7"	NA	NA	"Public_CrossChecked"	"CC1C=CC(OP(=S)(NC(C)C)OCC)=C(C=1)[N+]([O-])=O"	"?"	"InChI=1S/C12H19N2O4PS/c1-5-17-19(20,13-9(2)3)18-12-7-6-10(4)8-11(12)14(15)16/h6-9H,5H2,1-4H3,(H,13,20)"	"BFFLCMLOXQNHJA-UHFFFAOYSA-N"	FALSE	FALSE	720	3	4
"3386-18-3"	"DTXSID10187492"	"Nonaethylene glycol"	"EPA_DSSTox"	"OCCOCCOCCOCCOCCOCCOCCOCCOCCO"	"?"	"InChI=1S/C18H38O10/c19-1-3-21-5-7-23-9-11-25-13-15-27-17-18-28-16-14-26-12-10-24-8-6-22-4-2-20/h19-20H,1-18H2"	"YZUUTMGDONTGTN-UHFFFAOYSA-N"	FALSE	TRUE	37000	4	5
"339-44-6"	"DTXSID1023108"	"Glycodiazine"	"EPA_DSSTox"	"COCCOC1=CN=C(NS(=O)(=O)C2C=CC=CC=2)N=C1"	"?"	"InChI=1S/C13H15N3O4S/c1-19-7-8-20-11-9-14-13(15-10-11)16-21(17,18)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,14,15,16)"	"QFWPJPIVLCBXFJ-UHFFFAOYSA-N"	FALSE	TRUE	3100	3	5
"339-65-1"	NA	NA	"Public_CrossChecked"	"FCCOC(Cl)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C4H5Cl4FO/c5-3(4(6,7)8)10-2-1-9/h3H,1-2H2"	"NEQRCZVHVQVNSA-UHFFFAOYSA-N"	TRUE	FALSE	18	1	2
"3391-83-1"	"DTXSID2052023"	"1,7-Dioxacycloheptadecan-8-one"	"EPA_DSSTox"	"O=C1CCCCCCCCCOCCCCCO1"	"?"	"InChI=1S/C15H28O3/c16-15-11-7-4-2-1-3-5-8-12-17-13-9-6-10-14-18-15/h1-14H2"	"MKEIDVFLAWJKMY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3391-86-4"	"DTXSID3035214"	"1-Octen-3-ol"	"EPA_DSSTox"	"CCCCCC(O)C=C"	"?"	"InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3"	"VSMOENVRRABVKN-UHFFFAOYSA-N"	FALSE	FALSE	340	2	4
"3393-59-7"	"DTXSID50187552"	"Benzimidazole, 4,5,7-trichloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1NC2C(N=1)=C(Cl)C=C(Cl)C=2Cl"	"?"	"InChI=1S/C8H2Cl3F3N2/c9-2-1-3(10)5-6(4(2)11)16-7(15-5)8(12,13)14/h1H,(H,15,16)"	"ZVFDYQZOXSAMSR-UHFFFAOYSA-N"	TRUE	FALSE	6.332	1	2
"3393-60-0"	"DTXSID10187553"	"Benzimidazole, 4,5,7-tribromo-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1NC2C(N=1)=C(Br)C=C(Br)C=2Br"	"?"	"InChI=1S/C8H2Br3F3N2/c9-2-1-3(10)5-6(4(2)11)16-7(15-5)8(12,13)14/h1H,(H,15,16)"	"GYDGKROMMMZLQI-UHFFFAOYSA-N"	TRUE	FALSE	12.769	1	2
"3395-91-3"	"DTXSID6063010"	"Propanoic acid, 3-bromo-, methyl ester"	"EPA_DSSTox"	"COC(=O)CCBr"	"?"	"InChI=1S/C4H7BrO2/c1-7-4(6)2-3-5/h2-3H2,1H3"	"KQEVIFKPZOGBMZ-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"33955-44-1"	"DTXSID10471924"	"Perylene-3,4-dicarboximide"	"EPA_DSSTox"	"O=C1NC(=O)C2=CC=C3C4C2=C1C=CC=4C1C=CC=C2C=CC=C3C2=1"	"?"	"InChI=1S/C22H11NO2/c24-21-16-9-7-14-12-5-1-3-11-4-2-6-13(18(11)12)15-8-10-17(22(25)23-21)20(16)19(14)15/h1-10H,(H,23,24,25)"	"LBOJSACZVLWUHN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"33956-49-9"	"DTXSID1035288"	"Codlelure"	"EPA_DSSTox"	"CC=CC=CCCCCCCCO"	"?"	"InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-5,13H,6-12H2,1H3"	"CSWBSLXBXRFNST-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"3397-16-8"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCCCCCCCCCC(=O)NC(CCC(O)=O)C(O)=O"	"?"	"InChI=1S/C23H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27/h20H,2-19H2,1H3,(H,24,25)(H,26,27)(H,28,29)"	"ATFFFUXLAJBBDE-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"3398-69-4"	"DTXSID90187591"	"tert-Butylamine, N-ethyl-N-nitroso-"	"EPA_DSSTox"	"CCN(N=O)C(C)(C)C"	"?"	"InChI=1S/C6H14N2O/c1-5-8(7-9)6(2,3)4/h5H2,1-4H3"	"AEMBWNDIEFEPTH-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"3401-80-7"	"DTXSID9041657"	"Benzoic acid, 3,6-dichloro-2-hydroxy-"	"EPA_DSSTox"	"OC1C(Cl)=CC=C(Cl)C=1C(O)=O"	"?"	"InChI=1S/C7H4Cl2O3/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,10H,(H,11,12)"	"FKIKPQHMWFZFEB-UHFFFAOYSA-N"	FALSE	FALSE	1560	3	4
"34014-18-1"	"DTXSID3024316"	"Tebuthiuron"	"EPA_DSSTox"	"CNC(=O)N(C)C1=NN=C(S1)C(C)(C)C"	"?"	"InChI=1S/C9H16N4OS/c1-9(2,3)6-11-12-8(15-6)13(5)7(14)10-4/h1-5H3,(H,10,14)"	"HBPDKDSFLXWOAE-UHFFFAOYSA-N"	FALSE	FALSE	640	3	4
"34036-80-1"	NA	NA	"Public_CrossChecked"	"CC(CC)=NO[Si](ON=C(C)CC)(ON=C(C)CC)C1C=CC=CC=1"	"?"	"InChI=1S/C18H29N3O3Si/c1-7-15(4)19-22-25(23-20-16(5)8-2,24-21-17(6)9-3)18-13-11-10-12-14-18/h10-14H,7-9H2,1-6H3"	"XKBQRJBETDMEFN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"34042-85-8"	"DTXSID50187653"	"Sudoxicam"	"EPA_DSSTox"	"CN1C(=C(O)C2C=CC=CC=2S1(=O)=O)C(=O)NC1=NC=CS1"	"?"	"InChI=1S/C13H11N3O4S2/c1-16-10(12(18)15-13-14-6-7-21-13)11(17)8-4-2-3-5-9(8)22(16,19)20/h2-7,17H,1H3,(H,14,15,18)"	"SYCHUQUJURZQMO-UHFFFAOYSA-N"	FALSE	FALSE	136	2	3
"34067-03-3"	NA	NA	"Public_CrossChecked"	"CCC(C(=O)N1CCCC1C)(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C21H25NO/c1-3-21(18-12-6-4-7-13-18,19-14-8-5-9-15-19)20(23)22-16-10-11-17(22)2/h4-9,12-15,17H,3,10-11,16H2,1-2H3"	"DWIZRPDYYVIEIV-UHFFFAOYSA-N"	FALSE	FALSE	326	2	4
"3407-42-9"	"DTXSID5044817"	"3-(5,5,6-Trimethylbicyclo[2.2.1]hept-2-yl)cyclohexanol"	"EPA_DSSTox"	"CC1C2CC(CC2C2CC(O)CCC2)C1(C)C"	"?"	"InChI=1S/C16H28O/c1-10-14-8-12(16(10,2)3)9-15(14)11-5-4-6-13(17)7-11/h10-15,17H,4-9H2,1-3H3"	"BWVZAZPLUTUBKD-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"341-69-5"	"DTXSID5025815"	"Orphenadrine hydrochloride"	"EPA_DSSTox"	"CC1=CC=CC=C1C(OCCN(C)C)C1C=CC=CC=1"	"Cl"	"InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3"	"QVYRGXJJSLMXQH-UHFFFAOYSA-N"	FALSE	FALSE	255	2	3
"34131-99-2"	"DTXSID70865704"	"2-Naphthalenol, decahydro-6-(1-methylethyl)-"	"EPA_DSSTox"	"CC(C)C1CC2CCC(O)CC2CC1"	"?"	"InChI=1S/C13H24O/c1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10/h9-14H,3-8H2,1-2H3"	"JBMLIVNFPGPRCB-UHFFFAOYSA-N"	FALSE	TRUE	4200	3	5
"34140-59-5"	"DTXSID5046017"	"Trimebutine maleate"	"EPA_DSSTox"	"CCC(COC(=O)C1=CC(OC)=C(OC)C(=C1)OC)(C1C=CC=CC=1)N(C)C"	"OC(=O)/C=C\C(O)=O"	"InChI=1S/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3"	"LORDFXWUHHSAQU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"34148-01-1"	"DTXSID2022834"	"Clidanac"	"EPA_DSSTox"	"OC(=O)C1CCC2C=C(C3CCCCC3)C(Cl)=CC=21"	"?"	"InChI=1S/C16H19ClO2/c17-15-9-13-11(6-7-12(13)16(18)19)8-14(15)10-4-2-1-3-5-10/h8-10,12H,1-7H2,(H,18,19)"	"OIRAEJWYWSAQNG-UHFFFAOYSA-N"	TRUE	FALSE	41	1	2
"3416-26-0"	"DTXSID6045377"	"Lidoflazine"	"EPA_DSSTox"	"CC1C=CC=C(C)C=1NC(=O)CN1CCN(CCCC(C2C=CC(F)=CC=2)C2C=CC(F)=CC=2)CC1"	"?"	"InChI=1S/C30H35F2N3O/c1-22-5-3-6-23(2)30(22)33-29(36)21-35-19-17-34(18-20-35)16-4-7-28(24-8-12-26(31)13-9-24)25-10-14-27(32)15-11-25/h3,5-6,8-15,28H,4,7,16-21H2,1-2H3,(H,33,36)"	"ZBIAKUMOEKILTF-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"34161-23-4"	"DTXSID6047446"	"Fipexide hydrochloride"	"EPA_DSSTox"	"O=C(COC1C=CC(Cl)=CC=1)N1CCN(CC2=CC3OCOC=3C=C2)CC1"	"Cl"	"InChI=1S/C20H21ClN2O4/c21-16-2-4-17(5-3-16)25-13-20(24)23-9-7-22(8-10-23)12-15-1-6-18-19(11-15)27-14-26-18/h1-6,11H,7-10,12-14H2"	"BFUJHVVEMMWLHC-UHFFFAOYSA-N"	FALSE	TRUE	4482	3	5
"34184-82-2"	"DTXSID80187782"	"17-Hydroxypregna-4,9(11)-diene-3,20-dione"	"EPA_DSSTox"	"CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3=CCC12C"	"?"	"InChI=1S/C21H28O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h7,12,16,18,24H,4-6,8-11H2,1-3H3"	"ARJWMUSCDIJFLB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"34202-69-2"	"DTXSID50187794"	"2-Propanone, hexafluoro-, trihydrate"	"EPA_DSSTox"	"O=C(C(F)(F)F)C(F)(F)F"	"O.O.O"	"InChI=1S/C3F6O/c4-2(5,6)1(10)3(7,8)9"	"VBZWSGALLODQNC-UHFFFAOYSA-N"	FALSE	FALSE	190	2	3
"34205-21-5"	"DTXSID6058059"	"Dimefuron"	"EPA_DSSTox"	"CN(C)/C(/O)=N/C1C=C(Cl)C(=CC=1)N1N=C(OC1=O)C(C)(C)C"	"?"	"InChI=1S/C15H19ClN4O3/c1-15(2,3)12-18-20(14(22)23-12)11-7-6-9(8-10(11)16)17-13(21)19(4)5/h6-8H,1-5H3,(H,17,21)"	"DHWRNDJOGMTCPB-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"34206-40-1"	"DTXSID2067822"	"2-Butanone, O,O',O'',O'''-silanetetrayltetraoxime"	"EPA_DSSTox"	"CC(CC)=NO[Si](ON=C(C)CC)(ON=C(C)CC)ON=C(C)CC"	"?"	"InChI=1S/C16H32N4O4Si/c1-9-13(5)17-21-25(22-18-14(6)10-2,23-19-15(7)11-3)24-20-16(8)12-4/h9-12H2,1-8H3"	"INETXKGLHYNTHK-UHFFFAOYSA-N"	FALSE	TRUE	2453	3	5
"3423-28-7"	NA	NA	"Public_CrossChecked"	"CC(C)N1C2CC(=O)CC1CC2"	"?"	"InChI=1S/C10H17NO/c1-7(2)11-8-3-4-9(11)6-10(12)5-8/h7-9H,3-6H2,1-2H3"	"AKETXTOLBLTPTP-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"3424-05-3"	"DTXSID70187812"	"Cyclopentene, 4-(dichloromethylene)-1,2,3,3,5,5-hexachloro-"	"EPA_DSSTox"	"ClC(Cl)=C1C(Cl)(Cl)C(Cl)=C(Cl)C1(Cl)Cl"	"?"	"InChI=1S/C6Cl8/c7-2-3(8)6(13,14)1(4(9)10)5(2,11)12"	"HSNOZNMQZFGXDR-UHFFFAOYSA-N"	FALSE	TRUE	3700	3	5
"3424-82-6"	"DTXSID4022313"	"o,p'-DDE"	"EPA_DSSTox"	"ClC(Cl)=C(C1=CC=CC=C1Cl)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C14H8Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8H"	"ZDYJWDIWLRZXDB-UHFFFAOYSA-N"	FALSE	FALSE	880	3	4
"3425-46-5"	"DTXSID0063020"	"Selenocyanic acid, potassium salt"	"EPA_DSSTox"	"N#C[Se-]"	"[K+]"	"InChI=1S/CHNSe/c2-1-3/h3H/p-1"	"CRDYSYOERSZTHZ-UHFFFAOYSA-M"	TRUE	FALSE	10	1	2
"3426-43-5"	"DTXSID90889467"	"C.I. Fluorescent Brightener 213"	"EPA_DSSTox"	"COC1=NC(NC2=CC(=C(C=CC3C=CC(=CC=3S(O)(=O)=O)NC3=NC(NC4C=CC=CC=4)=NC(=N3)OC)C=C2)S(O)(=O)=O)=NC(NC2C=CC=CC=2)=N1"	"[Na+].[Na+]"	"InChI=1S/C34H30N10O8S2/c1-51-33-41-29(35-23-9-5-3-6-10-23)39-31(43-33)37-25-17-15-21(27(19-25)53(45,46)47)13-14-22-16-18-26(20-28(22)54(48,49)50)38-32-40-30(42-34(44-32)52-2)36-24-11-7-4-8-12-24/h3-20H,1-2H3,(H,45,46,47)(H,48,49,50)(H2,35,37,39,41,43)(H2,36,38,40,42,44)"	"ONAMMOQWYFWXJY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3426-62-8"	"DTXSID3074999"	"2,3,6-Trichlorobenzoic acid dimethylamine salt"	"EPA_DSSTox"	"OC(=O)C1=C(Cl)C(Cl)=CC=C1Cl"	"[NH2+](C)C"	"InChI=1S/C7H3Cl3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)"	"XZIDTOHMJBOSOX-UHFFFAOYSA-N"	FALSE	FALSE	1644	3	4
"3426-89-9"	"DTXSID5063021"	"Phosphorodichloridous acid, phenyl ester"	"EPA_DSSTox"	"ClP(Cl)OC1C=CC=CC=1"	"?"	"InChI=1S/C6H5Cl2OP/c7-10(8)9-6-4-2-1-3-5-6/h1-5H"	"LXHWDUISRBUGRA-UHFFFAOYSA-N"	FALSE	FALSE	681	3	4
"34264-24-9"	"DTXSID5058060"	"Promacyl"	"EPA_DSSTox"	"CC1C=C(C=C(C=1)C(C)C)OC(=O)N(C)C(=O)CCC"	"?"	"InChI=1S/C16H23NO3/c1-6-7-15(18)17(5)16(19)20-14-9-12(4)8-13(10-14)11(2)3/h8-11H,6-7H2,1-5H3"	"DXEMHWAAAJAXBG-UHFFFAOYSA-N"	FALSE	FALSE	1220	3	4
"34268-69-4"	"DTXSID30187833"	"Enzacryl polyacetal"	"EPA_DSSTox"	"COC(CNC(=O)C=C)OC"	"?"	"InChI=1S/C7H13NO3/c1-4-6(9)8-5-7(10-2)11-3/h4,7H,1,5H2,2-3H3,(H,8,9)"	"CMMYGCUEJWTBCG-UHFFFAOYSA-N"	FALSE	FALSE	1199	3	4
"34314-31-3"	NA	NA	"Public_CrossChecked"	"CCC(O)OCC1=C(Cl)C(Cl)=CC=C1Cl"	"?"	"InChI=1S/C10H11Cl3O2/c1-2-9(14)15-5-6-7(11)3-4-8(12)10(6)13/h3-4,9,14H,2,5H2,1H3"	"ZRRCPKLWTBJUHI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"34320-82-6"	"DTXSID1067831"	"3H-Pyrazol-3-one, 2,4-dihydro-5-[(4-nitrophenyl)amino]-2-(2,4,6-trichlorophenyl)-"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC(=CC=1)NC1CC(=O)N(N=1)C1C(Cl)=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C15H9Cl3N4O3/c16-8-5-11(17)15(12(18)6-8)21-14(23)7-13(20-21)19-9-1-3-10(4-2-9)22(24)25/h1-6H,7H2,(H,19,20)"	"NTDRZJLMIOFNLK-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"34335-10-9"	"DTXSID90885580"	"Phosphonic acid, P-phenyl-, zinc salt (1:1)"	"EPA_DSSTox"	"OP(O)(=O)C1C=CC=CC=1"	"[Zn+2]"	"InChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)"	"QLZHNIAADXEJJP-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"34341-24-7"	"DTXSID30187914"	"Hydantoin, 3-(2-(diethylamino)ethyl)-5,5-diphenyl-"	"EPA_DSSTox"	"CCN(CCN1C(=O)NC(C2C=CC=CC=2)(C2C=CC=CC=2)C1=O)CC"	"?"	"InChI=1S/C21H25N3O2/c1-3-23(4-2)15-16-24-19(25)21(22-20(24)26,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3,(H,22,26)"	"CCHIICCEKRYUNR-UHFFFAOYSA-N"	FALSE	FALSE	1300	3	4
"3437-84-1"	"DTXSID0063024"	"Peroxide, bis(2-methyl-1-oxopropyl)"	"EPA_DSSTox"	"CC(C)C(=O)OOC(=O)C(C)C"	"?"	"InChI=1S/C8H14O4/c1-5(2)7(9)11-12-8(10)6(3)4/h5-6H,1-4H3"	"RPBWMJBZQXCSFW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"34375-78-5"	"DTXSID40187945"	"4,5-Dihydro-1,3-dimethyl-1,H-pyrazolo-(3,4-b)(1,4)-benzoxazepine"	"EPA_DSSTox"	"CC1=NN(C)C2OC3C=CC=CC=3CNC1=2"	"Cl"	"InChI=1S/C12H13N3O/c1-8-11-12(15(2)14-8)16-10-6-4-3-5-9(10)7-13-11/h3-6,13H,7H2,1-2H3"	"DBDCZVJYMNTHLP-UHFFFAOYSA-N"	FALSE	FALSE	1360	3	4
"34381-68-5"	"DTXSID5045461"	"Acebutolol hydrochloride"	"EPA_DSSTox"	"CC(=O)C1C=C(C=CC=1OCC(O)CNC(C)C)NC(=O)CCC"	"Cl"	"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"	FALSE	TRUE	3200	3	5
"34388-29-9"	NA	NA	"Public_CrossChecked"	"CC(C)=CC1C(C(=O)OCC2=CC=C(COC)C=C2)C1(C)C"	"?"	"InChI=1S/C19H26O3/c1-13(2)10-16-17(19(16,3)4)18(20)22-12-15-8-6-14(7-9-15)11-21-5/h6-10,16-17H,11-12H2,1-5H3"	"GQNBIMLHUAWKHJ-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"34391-94-1"	NA	NA	"Public_CrossChecked"	"COC1=NC(NC2=CC(=C(C=CC3C=CC(=CC=3S(O)(=O)=O)NC3N=C(N=C(N=3)N(CCO)CCO)OC)C=C2)S(O)(=O)=O)=NC(=N1)N(CCO)CCO"	"?"	"InChI=1S/C30H38N10O12S2/c1-51-29-35-25(33-27(37-29)39(9-13-41)10-14-42)31-21-7-5-19(23(17-21)53(45,46)47)3-4-20-6-8-22(18-24(20)54(48,49)50)32-26-34-28(38-30(36-26)52-2)40(11-15-43)12-16-44/h3-8,17-18,41-44H,9-16H2,1-2H3,(H,45,46,47)(H,48,49,50)(H,31,33,35,37)(H,32,34,36,38)"	"NXVLPCPHELYQAF-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"34396-03-7"	"DTXSID9042380"	"Silane, trimethoxy(2,4,4-trimethylpentyl)-"	"EPA_DSSTox"	"CC(CC(C)(C)C)C[Si](OC)(OC)OC"	"?"	"InChI=1S/C11H26O3Si/c1-10(8-11(2,3)4)9-15(12-5,13-6)14-7/h10H,8-9H2,1-7H3"	"UWSYCPWEBZRZNJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"344-07-0"	"DTXSID4059837"	"Benzene, chloropentafluoro-"	"EPA_DSSTox"	"FC1=C(Cl)C(F)=C(F)C(F)=C1F"	"?"	"InChI=1S/C6ClF5/c7-1-2(8)4(10)6(12)5(11)3(1)9"	"KGCDGLXSBHJAHZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3443-15-0"	NA	NA	"Public_CrossChecked"	"NC1C=C2C(=O)NC(CCCl)OC2=CC=1"	"[Cl-]"	"InChI=1S/C10H11ClN2O2/c11-4-3-9-13-10(14)7-5-6(12)1-2-8(7)15-9/h1-2,5,9H,3-4,12H2,(H,13,14)"	"PCYLDXMXEPSXFW-UHFFFAOYSA-N"	FALSE	FALSE	1958	3	4
"34443-04-4"	"DTXSID00188014"	"Acrylanilide, 4'-hydroxy-"	"EPA_DSSTox"	"C=CC(=O)NC1C=CC(O)=CC=1"	"?"	"InChI=1S/C9H9NO2/c1-2-9(12)10-7-3-5-8(11)6-4-7/h2-6,11H,1H2,(H,10,12)"	"POVITWJTUUJBNK-UHFFFAOYSA-N"	FALSE	FALSE	930	3	4
"3445-11-2"	"DTXSID7044922"	"1-(2-Hydroxyethyl)pyrrolidin-2-one"	"EPA_DSSTox"	"OCCN1CCCC1=O"	"?"	"InChI=1S/C6H11NO2/c8-5-4-7-3-1-2-6(7)9/h8H,1-5H2"	"WDQFELCEOPFLCZ-UHFFFAOYSA-N"	FALSE	TRUE	14430	4	5
"3445-42-9"	NA	NA	"Public_CrossChecked"	"CC(C)C1C=CC(=CC=1)C(C)(C)O"	"?"	"InChI=1S/C12H18O/c1-9(2)10-5-7-11(8-6-10)12(3,4)13/h5-9,13H,1-4H3"	"VBSMBCNJCBKQFP-UHFFFAOYSA-N"	FALSE	TRUE	11300	4	5
"34452-51-2"	"DTXSID30885589"	"Acetic acid, 2-mercapto-, potassium salt (1:1)"	"EPA_DSSTox"	"OC(=O)CS"	"[K+]"	"InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)"	"CWERGRDVMFNCDR-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	NA
"34462-96-9"	"DTXSID7042017"	"Halacrinate"	"EPA_DSSTox"	"C=CC(=O)OC1=C(Br)C=C(Cl)C2C=CC=NC=21"	"?"	"InChI=1S/C12H7BrClNO2/c1-2-10(16)17-12-8(13)6-9(14)7-4-3-5-15-11(7)12/h2-6H,1H2"	"YDNLKBDXQCHOTH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"34465-46-8"	NA	NA	"Public_CrossChecked"	"ClC1=CC2OC3=C(C=C(Cl)C(Cl)=C3Cl)OC=2C(Cl)=C1Cl"	"?"	"InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-6-2-4(14)8(16)10(18)12(6)19-5/h1-2H"	"YCLUIPQDHHPDJJ-UHFFFAOYSA-N"	TRUE	FALSE	0.887	1	1
"3447-87-8"	NA	NA	"Public_CrossChecked"	"O=C1C(Cl)C2(Cl)C3C(C(Cl)OC3Cl)C1(Cl)C2(Cl)Cl"	"?"	"InChI=1S/C9H5Cl7O2/c10-3-4(17)8(14)2-1(5(11)18-6(2)12)7(3,13)9(8,15)16/h1-3,5-6H"	"KPHDFTRBKVDNNB-UHFFFAOYSA-N"	TRUE	FALSE	7	1	2
"34490-93-2"	"DTXSID4058364"	"Coumafuryl, sodium salt"	"EPA_DSSTox"	"CC(=O)CC(C1=C(O)C2C=CC=CC=2OC1=O)C1=CC=CO1"	"[Na+]"	"InChI=1S/C17H14O5/c1-10(18)9-12(13-7-4-8-21-13)15-16(19)11-5-2-3-6-14(11)22-17(15)20/h2-8,12,19H,9H2,1H3"	"JFIXKFSJCQNGEK-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"34491-12-8"	"DTXSID10188045"	"Phosphonodithioic acid, chloromethyl-, S,S-diethyl ester"	"EPA_DSSTox"	"CCSP(=O)(CCl)SCC"	"?"	"InChI=1S/C5H12ClOPS2/c1-3-9-8(7,5-6)10-4-2/h3-5H2,1-2H3"	"GOKBBGQRNIGSLG-UHFFFAOYSA-N"	TRUE	FALSE	35	1	2
"34493-98-6"	"DTXSID2022915"	"Dibekacin"	"EPA_DSSTox"	"NCC1CCC(N)C(O1)OC1C(O)C(OC2OC(CO)C(O)C(N)C2O)C(N)CC1N"	"?"	"InChI=1S/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18/h6-18,24-27H,1-5,19-23H2"	"JJCQSGDBDPYCEO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"345-92-6"	"DTXSID30188062"	"4,4'-Difluorobenzophenone"	"EPA_DSSTox"	"O=C(C1C=CC(F)=CC=1)C1C=CC(F)=CC=1"	"?"	"InChI=1S/C13H8F2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H"	"LSQARZALBDFYQZ-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"3452-97-9"	"DTXSID7029661"	"3,5,5-Trimethyl-1-hexanol"	"EPA_DSSTox"	"CC(CCO)CC(C)(C)C"	"?"	"InChI=1S/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3"	"BODRLKRKPXBDBN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"34544-12-2"	NA	NA	"Public_CrossChecked"	"CN=c1oc2ccccc2[n]1C"	"?"	"InChI=1S/C9H10N2O/c1-10-9-11(2)7-5-3-4-6-8(7)12-9/h3-6H,1-2H3"	"KGLXZENKLRRZJM-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"34552-84-6"	"DTXSID0045462"	"Isoxicam"	"EPA_DSSTox"	"CC1=CC(NC(=O)C2=C(O)C3C=CC=CC=3S(=O)(=O)N2C)=NO1"	"?"	"InChI=1S/C14H13N3O5S/c1-8-7-11(16-22-8)15-14(19)12-13(18)9-5-3-4-6-10(9)23(20,21)17(12)2/h3-7,18H,1-2H3,(H,15,16,19)"	"YYUAYBYLJSNDCX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3457-61-2"	"DTXSID9063039"	"Peroxide, 1,1-dimethylethyl 1-methyl-1-phenylethyl"	"EPA_DSSTox"	"CC(C)(C)OOC(C)(C)C1C=CC=CC=1"	"?"	"InChI=1S/C13H20O2/c1-12(2,3)14-15-13(4,5)11-9-7-6-8-10-11/h6-10H,1-5H3"	"BIISIZOQPWZPPS-UHFFFAOYSA-N"	FALSE	TRUE	4700	3	5
"3457-98-5"	"DTXSID40883975"	"Benzenamine, 4-(2-phenyldiazenyl)-, hydrochloride (1:1)"	"EPA_DSSTox"	"NC1C=CC(=CC=1)N=NC1C=CC=CC=1"	"Cl"	"InChI=1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2"	"QPQKUYVSJWQSDY-UHFFFAOYSA-N"	FALSE	FALSE	1250	3	4
"34580-14-8"	NA	NA	"Public_CrossChecked"	"CN1CCC(CC1)=C1C2C=CSC=2C(=O)CC2C=CC=CC=21"	"C(=C/C(=O)O)\C(=O)O"	"InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3"	"ZCVMWBYGMWKGHF-UHFFFAOYSA-N"	FALSE	FALSE	360	2	4
"34580-63-7"	NA	NA	"Public_CrossChecked"	"O=C(NNC1=CC(=CC=C1)C(F)(F)F)C1C=CC=NC=1Cl"	"?"	"InChI=1S/C13H9ClF3N3O/c14-11-10(5-2-6-18-11)12(21)20-19-9-4-1-3-8(7-9)13(15,16)17/h1-7,19H,(H,20,21)"	"FMYOTHNEYZXAQS-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"34580-65-9"	"DTXSID40188139"	"Acetic acid, ((1-(alpha,alpha,alpha-trifluoro-m-tolyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)-, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)COC1=NN(C2=CC=CC(=C2)C(F)(F)F)C2=NC=CC=C21"	"?"	"InChI=1S/C17H14F3N3O3/c1-2-25-14(24)10-26-16-13-7-4-8-21-15(13)23(22-16)12-6-3-5-11(9-12)17(18,19)20/h3-9H,2,10H2,1H3"	"JGHXHFHJVYSBOU-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"34580-66-0"	NA	NA	"Public_CrossChecked"	"CC(=O)COC1=NN(C2N=CC=CC=21)C1=CC(=CC=C1)C(F)(F)F"	"?"	"InChI=1S/C16H12F3N3O2/c1-10(23)9-24-15-13-6-3-7-20-14(13)22(21-15)12-5-2-4-11(8-12)16(17,18)19/h2-8H,9H2,1H3"	"ASTCNIALLSQLQN-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"34580-68-2"	NA	NA	"Public_CrossChecked"	"CN(C)CCCOC1=NN(C2=NC=CC=C21)C1=CC(=CC=C1)C(F)(F)F"	"Cl"	"InChI=1S/C18H19F3N4O/c1-24(2)10-5-11-26-17-15-8-4-9-22-16(15)25(23-17)14-7-3-6-13(12-14)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3"	"UMUMVWGNUHCRAZ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"34580-70-6"	NA	NA	"Public_CrossChecked"	"FC(F)(F)C1C=C(C=CC=1)N1N=C(OCCN2CCCCC2)C2C=CC=NC1=2"	"Cl"	"InChI=1S/C20H21F3N4O/c21-20(22,23)15-6-4-7-16(14-15)27-18-17(8-5-9-24-18)19(25-27)28-13-12-26-10-2-1-3-11-26/h4-9,14H,1-3,10-13H2"	"YDFSEASFEWVONV-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"34580-71-7"	"DTXSID50188140"	"ITF 1019"	"EPA_DSSTox"	"CCN(CCOC1=NN(C2=NC=CC=C21)C1C=C(C=CC=1)C(F)(F)F)CC"	"Cl"	"InChI=1S/C19H21F3N4O/c1-3-25(4-2)11-12-27-18-16-9-6-10-23-17(16)26(24-18)15-8-5-7-14(13-15)19(20,21)22/h5-10,13H,3-4,11-12H2,1-2H3"	"UYNZTFVVFYNWHB-UHFFFAOYSA-N"	FALSE	FALSE	1200	3	4
"34580-72-8"	NA	NA	"Public_CrossChecked"	"CN(C)CCOC1=NN(C2=NC=CC=C21)C1=CC(=CC=C1)C(F)(F)F"	"Cl"	"InChI=1S/C17H17F3N4O/c1-23(2)9-10-25-16-14-7-4-8-21-15(14)24(22-16)13-6-3-5-12(11-13)17(18,19)20/h3-8,11H,9-10H2,1-2H3"	"OZNCYMOYAKJQBF-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"34580-73-9"	"DTXSID10188141"	"1-Propanol, 3-((1-(3-(trifluoromethyl)phenyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)- (9CI)"	"EPA_DSSTox"	"OCCCOC1=NN(C2=NC=CC=C21)C1C=C(C=CC=1)C(F)(F)F"	"?"	"InChI=1S/C16H14F3N3O2/c17-16(18,19)11-4-1-5-12(10-11)22-14-13(6-2-7-20-14)15(21-22)24-9-3-8-23/h1-2,4-7,10,23H,3,8-9H2"	"CKSQKNFCWOAKOE-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"34580-75-1"	NA	NA	"Public_CrossChecked"	"CCOC1=NN(C2=NC=CC=C21)C1=CC(=CC=C1)C(F)(F)F"	"?"	"InChI=1S/C15H12F3N3O/c1-2-22-14-12-7-4-8-19-13(12)21(20-14)11-6-3-5-10(9-11)15(16,17)18/h3-9H,2H2,1H3"	"FCCSJNWKHDILGK-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"34580-76-2"	"DTXSID30188143"	"1H-Pyrazolo(3,4-b)pyridine, 3-methoxy-1-(3-(trifluoromethyl)phenyl)-"	"EPA_DSSTox"	"COC1=NN(C2=NC=CC=C21)C1C=C(C=CC=1)C(F)(F)F"	"?"	"InChI=1S/C14H10F3N3O/c1-21-13-11-6-3-7-18-12(11)20(19-13)10-5-2-4-9(8-10)14(15,16)17/h2-8H,1H3"	"DXCSAORYPUTKOU-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"34580-77-3"	"DTXSID90188144"	"ITF 1008"	"EPA_DSSTox"	"O=C1NN(C2=NC=CC=C21)C1C=C(C=CC=1)C(F)(F)F"	"?"	"InChI=1S/C13H8F3N3O/c14-13(15,16)8-3-1-4-9(7-8)19-11-10(12(20)18-19)5-2-6-17-11/h1-7H,(H,18,20)"	"VJHQMBJCNXSDHH-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"3459-20-9"	"DTXSID2057601"	"Glymidine sodium"	"EPA_DSSTox"	"COCCOC1C=C(C=CC=1)S(=O)(=O)NC1N=CC=CN=1"	"[Na+]"	"InChI=1S/C13H15N3O4S/c1-19-8-9-20-11-4-2-5-12(10-11)21(17,18)16-13-14-6-3-7-15-13/h2-7,10H,8-9H2,1H3,(H,14,15,16)"	"GFTIHHDWNALSPB-UHFFFAOYSA-N"	FALSE	TRUE	2850	3	5
"346-18-9"	"DTXSID6025939"	"Polythiazide"	"EPA_DSSTox"	"CN1C(CSCC(F)(F)F)NC2C=C(Cl)C(=CC=2S1(=O)=O)S(N)(=O)=O"	"?"	"InChI=1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20)"	"CYLWJCABXYDINA-UHFFFAOYSA-N"	TRUE	FALSE	NA	1	2
"34614-30-7"	"DTXSID50188185"	"1H-Pyrazolo(3,4-b)pyridine, 3-propoxy-1-(3-(trifluoromethyl)phenyl)- (9CI)"	"EPA_DSSTox"	"CCCOC1=NN(C2=NC=CC=C21)C1C=C(C=CC=1)C(F)(F)F"	"?"	"InChI=1S/C16H14F3N3O/c1-2-9-23-15-13-7-4-8-20-14(13)22(21-15)12-6-3-5-11(10-12)16(17,18)19/h3-8,10H,2,9H2,1H3"	"WRZHSDWNPDUHPC-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"34643-46-4"	"DTXSID8042349"	"Prothiofos"	"EPA_DSSTox"	"CCOP(=S)(OC1C=CC(Cl)=CC=1Cl)SCCC"	"?"	"InChI=1S/C11H15Cl2O2PS2/c1-3-7-18-16(17,14-4-2)15-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3"	"FITIWKDOCAUBQD-UHFFFAOYSA-N"	FALSE	FALSE	875	3	4
"34645-84-6"	"DTXSID6048830"	"Fenclofenac"	"EPA_DSSTox"	"OC(=O)CC1C=CC=CC=1OC1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C14H10Cl2O3/c15-10-5-6-13(11(16)8-10)19-12-4-2-1-3-9(12)7-14(17)18/h1-6,8H,7H2,(H,17,18)"	"IDKAXRLETRCXKS-UHFFFAOYSA-N"	FALSE	TRUE	2280	3	5
"34661-75-1"	"DTXSID9021425"	"Urapidil"	"EPA_DSSTox"	"COC1C=CC=CC=1N1CCN(CCCNC2=CC(=O)N(C)C(=O)N2C)CC1"	"?"	"InChI=1S/C20H29N5O3/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3/h4-5,7-8,15,21H,6,9-14H2,1-3H3"	"ICMGLRUYEQNHPF-UHFFFAOYSA-N"	FALSE	FALSE	520	3	4
"34681-10-2"	"DTXSID5058062"	"Butocarboxim"	"EPA_DSSTox"	"CC(=NOC(=O)NC)C(C)SC"	"?"	"InChI=1S/C7H14N2O2S/c1-5(6(2)12-4)9-11-7(10)8-3/h6H,1-4H3,(H,8,10)"	"SFNPDDSJBGRXLW-UHFFFAOYSA-N"	FALSE	FALSE	153	2	3
"34691-31-1"	NA	NA	"Public_CrossChecked"	"CC(C(O)=O)C1=CC(=CC=C1)OC1C=CC=CC=1"	"[Na+]"	"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"	FALSE	FALSE	800	3	4
"3470-17-5"	"DTXSID8063046"	"Benzo[1,2-c:3,4-c':5,6-c'']tris[1,2,5]oxadiazole, 1,4,7-trioxide"	"EPA_DSSTox"	"[O-][N+]1ON=C2C=1C1=NO[N+]([O-])=C1C1=NO[N+]([O-])=C12"	"?"	"InChI=1S/C6N6O6/c13-10-4-1(7-16-10)5-3(8-17-11(5)14)6-2(4)9-18-12(6)15"	"ROSQKRBIBODSRH-UHFFFAOYSA-N"	FALSE	TRUE	2884	3	5
"3470-98-2"	"DTXSID80188254"	"2-Pyrrolidinone, 1-butyl-"	"EPA_DSSTox"	"CCCCN1CCCC1=O"	"?"	"InChI=1S/C8H15NO/c1-2-3-6-9-7-4-5-8(9)10/h2-7H2,1H3"	"BNXZHVUCNYMNOS-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"34708-08-2"	"DTXSID5044659"	"3-(Triethoxysilyl)propyl thiocyanate"	"EPA_DSSTox"	"CCO[Si](CCCSC#N)(OCC)OCC"	"?"	"InChI=1S/C10H21NO3SSi/c1-4-12-16(13-5-2,14-6-3)9-7-8-15-10-11/h4-9H2,1-3H3"	"HKMVWLQFAYGKSI-UHFFFAOYSA-N"	FALSE	FALSE	986	3	4
"3475-63-6"	"DTXSID70188304"	"Trimethylnitrosourea"	"EPA_DSSTox"	"CN(C)C(=O)N(C)N=O"	"?"	"InChI=1S/C4H9N3O2/c1-6(2)4(8)7(3)5-9/h1-3H3"	"LOEHVDVYTQIWEV-UHFFFAOYSA-N"	FALSE	FALSE	240	2	3
"34758-84-4"	NA	NA	"Public_CrossChecked"	"COC(CN1CCN(CC(O)C(OC)C2C=CC=CC=2)CC1)C1C=CC=CC=1"	"Cl.Cl"	"InChI=1S/C23H32N2O3/c1-27-22(19-9-5-3-6-10-19)18-25-15-13-24(14-16-25)17-21(26)23(28-2)20-11-7-4-8-12-20/h3-12,21-23,26H,13-18H2,1-2H3"	"VSTNNAYSCJQCQI-UHFFFAOYSA-N"	FALSE	FALSE	435	2	4
"3476-88-8"	"DTXSID60188313"	"4(3H)-Quinazolinone, 5-chloro-3-(4-chloro-2-methylphenyl)-2-methyl- (9CI)"	"EPA_DSSTox"	"CC1=NC2=CC=CC(Cl)=C2C(=O)N1C1C=CC(Cl)=CC=1C"	"?"	"InChI=1S/C16H12Cl2N2O/c1-9-8-11(17)6-7-14(9)20-10(2)19-13-5-3-4-12(18)15(13)16(20)21/h3-8H,1-2H3"	"KUIHLOHNUGOCTO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"34769-67-0"	NA	NA	"Public_CrossChecked"	"CN1CC2CC(C)C(C(C1)C2O)N1CCCC1"	"?"	"InChI=1S/C14H26N2O/c1-10-7-11-8-15(2)9-12(14(11)17)13(10)16-5-3-4-6-16/h10-14,17H,3-9H2,1-2H3"	"ITRHAWQMUCWQHM-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"3478-44-2"	NA	NA	"Public_CrossChecked"	"CCCCCCOCC(O)COC1C=CC=CC=1C(O)=O"	"[Na+]"	"InChI=1S/C16H24O5/c1-2-3-4-7-10-20-11-13(17)12-21-15-9-6-5-8-14(15)16(18)19/h5-6,8-9,13,17H,2-4,7,10-12H2,1H3,(H,18,19)"	"YTPJKQPMTSNTGI-UHFFFAOYSA-N"	FALSE	TRUE	2150	3	5
"3478-94-2"	"DTXSID7032634"	"Piperalin"	"EPA_DSSTox"	"CC1CCCCN1CCCOC(=O)C1=CC(Cl)=C(Cl)C=C1"	"?"	"InChI=1S/C16H21Cl2NO2/c1-12-5-2-3-8-19(12)9-4-10-21-16(20)13-6-7-14(17)15(18)11-13/h6-7,11-12H,2-5,8-10H2,1H3"	"BZGLBXYQOMFXAU-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"34790-06-2"	NA	NA	"Public_CrossChecked"	"O=C1NCCCN1CC1C=C(Cl)C(Cl)=CC=1"	"?"	"InChI=1S/C11H12Cl2N2O/c12-9-3-2-8(6-10(9)13)7-15-5-1-4-14-11(15)16/h2-3,6H,1,4-5,7H2,(H,14,16)"	"FZZIZWYKUWSBAM-UHFFFAOYSA-N"	FALSE	FALSE	815	3	4
"348-57-2"	"DTXSID40188336"	"1-Bromo-2,4-difluorobenzene"	"EPA_DSSTox"	"FC1=CC(F)=C(Br)C=C1"	"?"	"InChI=1S/C6H3BrF2/c7-5-2-1-4(8)3-6(5)9/h1-3H"	"MGHBDQZXPCTTIH-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"34839-13-9"	NA	NA	"Public_CrossChecked"	"NCC(O)CCl"	"Cl"	"InChI=1S/C3H8ClNO/c4-1-3(6)2-5/h3,6H,1-2,5H2"	"CYJBWQFWXJKKMS-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"34839-14-0"	NA	NA	"Public_CrossChecked"	"NCC(O)CCl"	"Cl"	"InChI=1S/C3H8ClNO/c4-1-3(6)2-5/h3,6H,1-2,5H2"	"CYJBWQFWXJKKMS-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"34839-70-8"	"DTXSID80188390"	"Metiamide"	"EPA_DSSTox"	"CC1NC=NC=1CSCCNC(=S)NC"	"?"	"InChI=1S/C9H16N4S2/c1-7-8(13-6-12-7)5-15-4-3-11-9(14)10-2/h6H,3-5H2,1-2H3,(H,12,13)(H2,10,11,14)"	"FPBPLBWLMYGIQR-UHFFFAOYSA-N"	FALSE	FALSE	1493	3	4
"34885-03-5"	"DTXSID9041813"	"4-Methylcyclohexanemethanol"	"EPA_DSSTox"	"CC1CCC(CO)CC1"	"?"	"InChI=1S/C8H16O/c1-7-2-4-8(6-9)5-3-7/h7-9H,2-6H2,1H3"	"OSINZLLLLCUKJH-UHFFFAOYSA-N"	FALSE	FALSE	707	3	4
"3489-84-7"	NA	NA	"Public_CrossChecked"	"CC(C)(CC)C1C=CC(=CC=1)OCC(CC)OS(=O)OCC#C"	"?"	"InChI=1S/C18H26O4S/c1-6-13-21-23(19)22-16(7-2)14-20-17-11-9-15(10-12-17)18(4,5)8-3/h1,9-12,16H,7-8,13-14H2,2-5H3"	"UYEGACACTCMPTL-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"34893-92-0"	"DTXSID2067878"	"3,5-Dichlorophenyl isocyanate"	"EPA_DSSTox"	"O=C=NC1C=C(Cl)C=C(Cl)C=1"	"?"	"InChI=1S/C7H3Cl2NO/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H"	"XEFUJGURFLOFAN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"34911-55-2"	"DTXSID7022706"	"Bupropion"	"EPA_DSSTox"	"CC(NC(C)(C)C)C(=O)C1C=C(Cl)C=CC=1"	"?"	"InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3"	"SNPPWIUOZRMYNY-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"34920-64-4"	NA	NA	"Public_CrossChecked"	"OC1C=CC(=CC=1)C(O)CCNCCCSC1C=CC=CC=1"	"[Cl-]"	"InChI=1S/C18H23NO2S/c20-16-9-7-15(8-10-16)18(21)11-13-19-12-4-14-22-17-5-2-1-3-6-17/h1-3,5-10,18-21H,4,11-14H2"	"KCGMYHBKWHSYKB-UHFFFAOYSA-N"	FALSE	FALSE	650	3	4
"34929-03-8"	"DTXSID30188486"	"2,4(1H,3H)Quinazolinedione, 3-ethyl-1-(3-(trifluoromethyl)phenyl)-"	"EPA_DSSTox"	"CCN1C(=O)N(C2C=C(C=CC=2)C(F)(F)F)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C17H13F3N2O2/c1-2-21-15(23)13-8-3-4-9-14(13)22(16(21)24)12-7-5-6-11(10-12)17(18,19)20/h3-10H,2H2,1H3"	"WZCUPDSACNXKHX-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"34929-08-3"	"DTXSID90188487"	"H-88"	"EPA_DSSTox"	"OCCN1C(=O)N(C2C=CC=CC=2C1=O)C1C=C(C=CC=1)C(F)(F)F"	"?"	"InChI=1S/C17H13F3N2O3/c18-17(19,20)11-4-3-5-12(10-11)22-14-7-2-1-6-13(14)15(24)21(8-9-23)16(22)25/h1-7,10,23H,8-9H2"	"YKVDSZPXGNPCRO-UHFFFAOYSA-N"	FALSE	FALSE	810	3	4
"34935-15-4"	"DTXSID20188490"	"Benzenepropanal, 4-cyclohexyl-beta-oxo-"	"EPA_DSSTox"	"O=C(CC=O)C1=CC=C(C=C1)C1CCCCC1"	"?"	"InChI=1S/C15H18O2/c16-11-10-15(17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2"	"VJMJKZGDSHJXCF-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"3495-42-9"	"DTXSID4041781"	"Chlorquinox"	"EPA_DSSTox"	"ClC1=C2N=CC=NC2=C(Cl)C(Cl)=C1Cl"	"?"	"InChI=1S/C8H2Cl4N2/c9-3-4(10)6(12)8-7(5(3)11)13-1-2-14-8/h1-2H"	"NHTGQOXRZFUGJX-UHFFFAOYSA-N"	FALSE	TRUE	6400	4	5
"350-57-2"	"DTXSID00188534"	"Benzene, (1,1,2,2-tetrafluoroethoxy)-"	"EPA_DSSTox"	"FC(F)C(F)(F)OC1C=CC=CC=1"	"?"	"InChI=1S/C8H6F4O/c9-7(10)8(11,12)13-6-4-2-1-3-5-6/h1-5,7H"	"GRDIVJPQARIBNZ-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"35035-05-3"	"DTXSID4023672"	"Timepidium bromide"	"EPA_DSSTox"	"COC1CC(C[N+](C)(C)C1)=C(C1=CC=CS1)C1=CC=CS1"	"[Br-]"	"InChI=1S/C17H22NOS2/c1-18(2)11-13(10-14(12-18)19-3)17(15-6-4-8-20-15)16-7-5-9-21-16/h4-9,14H,10-12H2,1-3H3/q+1"	"PDYOTUCJOLELJU-UHFFFAOYSA-N"	FALSE	FALSE	1213	3	4
"35037-73-1"	"DTXSID1067883"	"4-(Trifluoromethoxy)phenyl isocyanate"	"EPA_DSSTox"	"O=C=NC1C=CC(=CC=1)OC(F)(F)F"	"?"	"InChI=1S/C8H4F3NO2/c9-8(10,11)14-7-3-1-6(2-4-7)12-5-13/h1-4H"	"LGPKFIGMLPDYEA-UHFFFAOYSA-N"	FALSE	FALSE	1525	3	4
"35041-16-8"	"DTXSID80188552"	"Benzamide, 2-amino-3,5-dinitro-"	"EPA_DSSTox"	"NC(=O)C1C=C(C=C(C=1N)[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C7H6N4O5/c8-6-4(7(9)12)1-3(10(13)14)2-5(6)11(15)16/h1-2H,8H2,(H2,9,12)"	"KTGYSUKUKPGPES-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"35044-59-8"	"DTXSID6067884"	"1,3-Cyclohexadiene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl ester"	"EPA_DSSTox"	"CC1C=CCC(C)(C)C=1C(=O)OCC"	"?"	"InChI=1S/C12H18O2/c1-5-14-11(13)10-9(2)7-6-8-12(10,3)4/h6-7H,5,8H2,1-4H3"	"KYEZYLFPHRVFBF-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"3507-99-1"	"DTXSID10883982"	"Octadecanoic acid, silver(1+) salt (1:1)"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCC(O)=O"	"[Ag+]"	"InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)"	"QIQXTHQIDYTFRH-UHFFFAOYSA-N"	FALSE	TRUE	6960	4	5
"35077-00-0"	"DTXSID3074577"	"Silanamine, 1,1,1-triethoxy-N,N-diethyl-"	"EPA_DSSTox"	"CCO[Si](OCC)(OCC)N(CC)CC"	"?"	"InChI=1S/C10H25NO3Si/c1-6-11(7-2)15(12-8-3,13-9-4)14-10-5/h6-10H2,1-5H3"	"KOFGHHIZTRGVAF-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"351-05-3"	"DTXSID40188593"	"Acetamide, N-(4-bromophenyl)-2-fluoro- (9CI)"	"EPA_DSSTox"	"O=C(CF)NC1C=CC(Br)=CC=1"	"?"	"InChI=1S/C8H7BrFNO/c9-6-1-3-7(4-2-6)11-8(12)5-10/h1-4H,5H2,(H,11,12)"	"ACCDBHBOYZJSDT-UHFFFAOYSA-N"	TRUE	FALSE	29	1	2
"35108-88-4"	NA	NA	"Public_CrossChecked"	"CC(C)(C)NCC(O)COC1C=CC=CC=1OCC1CCCO1"	"Cl"	"InChI=1S/C18H29NO4/c1-18(2,3)19-11-14(20)12-22-16-8-4-5-9-17(16)23-13-15-7-6-10-21-15/h4-5,8-9,14-15,19-20H,6-7,10-13H2,1-3H3"	"AKLNLVOZXMQGSI-UHFFFAOYSA-N"	FALSE	FALSE	1088	3	4
"35115-50-5"	"DTXSID60188616"	"Thaspine hydrochloride"	"EPA_DSSTox"	"CN(C)CCC1C=C(OC)C2OC(=O)C3=CC=C(OC)C4OC(=O)C=1C=2C3=4"	"Cl"	"InChI=1S/C20H19NO6/c1-21(2)8-7-10-9-13(25-4)18-16-14(10)20(23)27-17-12(24-3)6-5-11(15(16)17)19(22)26-18/h5-6,9H,7-8H2,1-4H3"	"MTAWKURMWOXCEO-UHFFFAOYSA-N"	FALSE	FALSE	518	3	4
"3513-93-7"	NA	NA	"Public_CrossChecked"	"ClC1(Cl)C2(Cl)CC(C(Cl)Cl)C1(Cl)C(Cl)=C2Cl"	"?"	"InChI=1S/C8H4Cl8/c9-3-4(10)7(14)2(5(11)12)1-6(3,13)8(7,15)16/h2,5H,1H2"	"IFACMWNIOXNWER-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"35130-97-3"	NA	NA	"Public_CrossChecked"	"CN1C2CC(CC1CC2)OS(C)(=O)=O"	"?"	"InChI=1S/C9H17NO3S/c1-10-7-3-4-8(10)6-9(5-7)13-14(2,11)12/h7-9H,3-6H2,1-2H3"	"JDDPSVBBPCQWAL-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"35144-55-9"	"DTXSID40188639"	"Aspartic acid, N-((2,4-dichlorophenoxy)acetyl)-, L-"	"EPA_DSSTox"	"OC(=O)C(CC(O)=O)NC(=O)COC1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C12H11Cl2NO6/c13-6-1-2-9(7(14)3-6)21-5-10(16)15-8(12(19)20)4-11(17)18/h1-3,8H,4-5H2,(H,15,16)(H,17,18)(H,19,20)"	"STGCUJXPWRUKEI-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"3518-65-8"	"DTXSID30188668"	"Methanesulfonyl chloride, chloro-"	"EPA_DSSTox"	"O=S(=O)(Cl)CCl"	"?"	"InChI=1S/CH2Cl2O2S/c2-1-6(3,4)5/h1H2"	"KQDDQXNVESLJNO-UHFFFAOYSA-N"	FALSE	FALSE	372	2	4
"352-93-2"	"DTXSID5027146"	"Diethyl sulfide"	"EPA_DSSTox"	"CCSCC"	"?"	"InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3"	"LJSQFQKUNVCTIA-UHFFFAOYSA-N"	FALSE	TRUE	3415	3	5
"3520-72-7"	"DTXSID6052031"	"Pyrazolone Orange"	"EPA_DSSTox"	"CC1NN(C2C=CC=CC=2)C(=O)C=1N=NC1=CC=C(C=C1Cl)C1=CC(Cl)=C(C=C1)N=NC1C(=O)N(NC=1C)C1C=CC=CC=1"	"?"	"InChI=1S/C32H24Cl2N8O2/c1-19-29(31(43)41(39-19)23-9-5-3-6-10-23)37-35-27-15-13-21(17-25(27)33)22-14-16-28(26(34)18-22)36-38-30-20(2)40-42(32(30)44)24-11-7-4-8-12-24/h3-18,39-40H,1-2H3"	"YCBLLWSXYKEKTG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3521-62-8"	"DTXSID1037224"	"Erythromycin estolate"	"EPA_DSSTox"	"COC1(C)CC(OC(C)C1O)OC1C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC(C)(O)C(OC2OC(C)CC(C2OC(=O)CC)N(C)C)C1C"	"S(=O)(=O)(O)OCCCCCCCCCCCC"	"InChI=1S/C40H71NO14/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3"	"TYQXKHPOXXXCTP-UHFFFAOYSA-N"	FALSE	FALSE	1447	3	4
"35212-22-7"	"DTXSID5040679"	"Ipriflavone"	"EPA_DSSTox"	"CC(C)OC1=CC2OC=C(C(=O)C=2C=C1)C1C=CC=CC=1"	"?"	"InChI=1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3"	"SFBODOKJTYAUCM-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"3524-68-3"	"DTXSID2025842"	"Pentaerythritol triacrylate"	"EPA_DSSTox"	"C=CC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C"	"?"	"InChI=1S/C14H18O7/c1-4-11(16)19-8-14(7-15,9-20-12(17)5-2)10-21-13(18)6-3/h4-6,15H,1-3,7-10H2"	"HVVWZTWDBSEWIH-UHFFFAOYSA-N"	FALSE	FALSE	1830	3	4
"35249-69-5"	"DTXSID7067902"	"Acetic acid, 2,2'-oxybis-, disodium salt"	"EPA_DSSTox"	"OC(=O)COCC(O)=O"	"[Na+].[Na+]"	"InChI=1S/C4H6O5/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)"	"QEVGZEDELICMKH-UHFFFAOYSA-N"	FALSE	TRUE	2440	3	5
"35250-53-4"	"DTXSID2025977"	"Pyrazineethanethiol"	"EPA_DSSTox"	"SCCC1=CN=CC=N1"	"?"	"InChI=1S/C6H8N2S/c9-4-1-6-5-7-2-3-8-6/h2-3,5,9H,1,4H2"	"QKVWBAMZPUHCMO-UHFFFAOYSA-N"	FALSE	FALSE	158	2	3
"35256-85-0"	"DTXSID5041691"	"Butam"	"EPA_DSSTox"	"CC(C)N(CC1C=CC=CC=1)C(=O)C(C)(C)C"	"?"	"InChI=1S/C15H23NO/c1-12(2)16(14(17)15(3,4)5)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3"	"RJKCKKDSSSRYCB-UHFFFAOYSA-N"	FALSE	TRUE	6000	4	5
"35265-04-4"	"DTXSID80885615"	"Ethanol, 2-[(1-methylpropyl)amino]-"	"EPA_DSSTox"	"CCC(C)NCCO"	"?"	"InChI=1S/C6H15NO/c1-3-6(2)7-4-5-8/h6-8H,3-5H2,1-2H3"	"YTVUVYDVQNALCM-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"35317-79-4"	NA	NA	"Public_CrossChecked"	"OC(NC1=NC=CS1)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C5H5Cl3N2OS/c6-5(7,8)3(11)10-4-9-1-2-12-4/h1-3,11H,(H,9,10)"	"MHDSRPZFJLLBKM-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"35326-33-1"	"DTXSID80188830"	"2-Propenoic acid, 2-hydroxy-, homopolymer"	"EPA_DSSTox"	"C=C(O)C(O)=O"	"?"	"InChI=1S/C3H4O3/c1-2(4)3(5)6/h4H,1H2,(H,5,6)"	"FEWFXBUNENSNBQ-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"3535-75-9"	NA	NA	"Public_CrossChecked"	"N=c1cc[n](O)cc1"	"?"	"InChI=1S/C5H6N2O/c6-5-1-3-7(8)4-2-5/h1-4,6,8H"	"SJQWWHFNDOUAGY-UHFFFAOYSA-N"	FALSE	FALSE	75	2	3
"35367-38-5"	"DTXSID1024049"	"Diflubenzuron"	"EPA_DSSTox"	"O=C(NC1C=CC(Cl)=CC=1)NC(=O)C1C(F)=CC=CC=1F"	"?"	"InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)"	"QQQYTWIFVNKMRW-UHFFFAOYSA-N"	FALSE	FALSE	790	3	4
"35384-89-5"	NA	NA	"Public_CrossChecked"	"CC(CC)C(CN(C)C)C1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C14H21Cl2N/c1-5-10(2)13(9-17(3)4)12-7-6-11(15)8-14(12)16/h6-8,10,13H,5,9H2,1-4H3"	"PYSWXXZEXRHUII-UHFFFAOYSA-N"	FALSE	FALSE	567	3	4
"354-15-4"	NA	NA	"Public_CrossChecked"	"FC(Cl)C(F)(Cl)Cl"	"?"	"InChI=1S/C2HCl3F2/c3-1(6)2(4,5)7/h1H"	"BQNSLJQRJAJITR-UHFFFAOYSA-N"	FALSE	TRUE	7800	4	5
"35425-83-3"	NA	NA	"Public_CrossChecked"	"C[N+]12CC(=O)C(CC1)(CC2)C1C=CC=CC=1"	"[Br-]"	"InChI=1S/C14H18NO/c1-15-9-7-14(8-10-15,13(16)11-15)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3/q+1"	"UCKSYFRXTAWSPV-UHFFFAOYSA-N"	FALSE	FALSE	1475	3	4
"3543-75-7"	"DTXSID40188912"	"Bendamustine hydrochloride"	"EPA_DSSTox"	"CN1C2=CC=C(C=C2N=C1CCCC(O)=O)N(CCCl)CCCl"	"Cl"	"InChI=1S/C16H21Cl2N3O2/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23/h5-6,11H,2-4,7-10H2,1H3,(H,22,23)"	"YTKUWDBFDASYHO-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"35435-21-3"	"DTXSID70865769"	"Silane, triethoxy(2,4,4-trimethylpentyl)-"	"EPA_DSSTox"	"CC(CC(C)(C)C)C[Si](OCC)(OCC)OCC"	"?"	"InChI=1S/C14H32O3Si/c1-8-15-18(16-9-2,17-10-3)12-13(4)11-14(5,6)7/h13H,8-12H2,1-7H3"	"UWZSHGZRSZICIW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"3544-35-2"	"DTXSID70188925"	"Iproclozide [INN:BAN:DCF]"	"EPA_DSSTox"	"CC(C)NNC(=O)COC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C11H15ClN2O2/c1-8(2)13-14-11(15)7-16-10-5-3-9(12)4-6-10/h3-6,8,13H,7H2,1-2H3,(H,14,15)"	"GGECDTUJZOXAAR-UHFFFAOYSA-N"	FALSE	FALSE	550	3	4
"3544-94-3"	"DTXSID8048155"	"Chloramphenicol succinate"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC(=CC=1)C(O)C(COC(=O)CCC(O)=O)NC(=O)C(Cl)Cl"	"?"	"InChI=1S/C15H16Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)"	"LIRCDOVJWUGTMW-UHFFFAOYSA-N"	FALSE	TRUE	8300	4	5
"35453-19-1"	"DTXSID10188969"	"5-Amino-2,4,6-triiodoisophthalic acid"	"EPA_DSSTox"	"NC1C(I)=C(C(I)=C(C=1I)C(O)=O)C(O)=O"	"?"	"InChI=1S/C8H4I3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16)"	"JEZJSNULLBSYHV-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"35461-10-0"	NA	NA	"Public_CrossChecked"	"CCOP(=S)(OCC)SCC(=O)N(CC=C)CC=C"	"?"	"InChI=1S/C12H22NO3PS2/c1-5-9-13(10-6-2)12(14)11-19-17(18,15-7-3)16-8-4/h5-6H,1-2,7-11H2,3-4H3"	"SYIAFSSBAJMYCM-UHFFFAOYSA-N"	TRUE	FALSE	48	1	2
"355-42-0"	"DTXSID7046548"	"Perflexane"	"EPA_DSSTox"	"FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	"?"	"InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20"	"ZJIJAJXFLBMLCK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"35531-88-5"	"DTXSID6048705"	"Carbenicillin indanyl"	"EPA_DSSTox"	"CC1(C)SC2C(NC(=O)C(C3C=CC=CC=3)C(=O)OC3C=C4CCCC4=CC=3)C(=O)N2C1C(O)=O"	"?"	"InChI=1S/C26H26N2O6S/c1-26(2)20(24(31)32)28-22(30)19(23(28)35-26)27-21(29)18(15-7-4-3-5-8-15)25(33)34-17-12-11-14-9-6-10-16(14)13-17/h3-5,7-8,11-13,18-20,23H,6,9-10H2,1-2H3,(H,27,29)(H,31,32)"	"JIRBAUWICKGBFE-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"35543-24-9"	"DTXSID6046977"	"Buflomedil hydrochloride"	"EPA_DSSTox"	"COC1C=C(C=C(OC)C=1C(=O)CCCN1CCCC1)OC"	"Cl"	"InChI=1S/C17H25NO4/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18/h11-12H,4-10H2,1-3H3"	"OWYLAEYXIQKAOL-UHFFFAOYSA-N"	FALSE	FALSE	410	2	4
"35554-44-0"	"DTXSID8024151"	"Imazalil"	"EPA_DSSTox"	"C=CCOC(CN1C=NC=C1)C1C=CC(Cl)=CC=1Cl"	"?"	"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"	FALSE	FALSE	227	2	3
"35572-78-2"	"DTXSID6044068"	"2-Amino-4,6-dinitrotoluene"	"EPA_DSSTox"	"CC1C(N)=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C7H7N3O4/c1-4-6(8)2-5(9(11)12)3-7(4)10(13)14/h2-3H,8H2,1H3"	"IEEJAAUSLQCGJH-UHFFFAOYSA-N"	FALSE	FALSE	1394	3	4
"356-12-7"	"DTXSID8045307"	"Fluocinonide"	"EPA_DSSTox"	"CC1(C)OC2(C(CC3C4CC(F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC23C)O1)C(=O)COC(C)=O"	"?"	"InChI=1S/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3"	"WJOHZNCJWYWUJD-UHFFFAOYSA-N"	TRUE	FALSE	14	1	2
"35619-65-9"	"DTXSID0046195"	"Tritiozine"	"EPA_DSSTox"	"COC1C=C(C=C(OC)C=1OC)C(=S)N1CCOCC1"	"?"	"InChI=1S/C14H19NO4S/c1-16-11-8-10(9-12(17-2)13(11)18-3)14(20)15-4-6-19-7-5-15/h8-9H,4-7H2,1-3H3"	"MVOUIYUWRXPNKD-UHFFFAOYSA-N"	FALSE	FALSE	670	3	4
"3562-84-3"	"DTXSID4022652"	"Benzbromarone"	"EPA_DSSTox"	"CCC1OC2=CC=CC=C2C=1C(=O)C1=CC(Br)=C(O)C(Br)=C1"	"?"	"InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3"	"WHQCHUCQKNIQEC-UHFFFAOYSA-N"	FALSE	FALSE	248	2	3
"3562-99-0"	"DTXSID8046240"	"Menbutone"	"EPA_DSSTox"	"COC1=CC=C(C2C=CC=CC=21)C(=O)CCC(O)=O"	"?"	"InChI=1S/C15H14O4/c1-19-14-8-6-11(13(16)7-9-15(17)18)10-4-2-3-5-12(10)14/h2-6,8H,7,9H2,1H3,(H,17,18)"	"FHGJSJFIQNQBCK-UHFFFAOYSA-N"	FALSE	FALSE	1800	3	4
"35627-29-3"	"DTXSID80189105"	"3-Nitrosotetrahydro-1,3-oxazine"	"EPA_DSSTox"	"O=NN1COCCC1"	"?"	"InChI=1S/C4H8N2O2/c7-5-6-2-1-3-8-4-6/h1-4H2"	"JVQJUHZAZCBYPP-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"3563-52-8"	NA	NA	"Public_CrossChecked"	"CCP(=S)(OC1C=CC(=CC=1Cl)[N+]([O-])=O)OCC"	"?"	"InChI=1S/C10H13ClNO4PS/c1-3-15-17(18,4-2)16-10-6-5-8(12(13)14)7-9(10)11/h5-7H,3-4H2,1-2H3"	"KOYZGOINJGYTFY-UHFFFAOYSA-N"	TRUE	FALSE	23	1	2
"35632-99-6"	"DTXSID9067932"	"Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-(methylamino)-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-"	"EPA_DSSTox"	"CNC1=NC(NC2=CC(=C(C=CC3C=CC(=CC=3S(O)(=O)=O)NC3=NC(NC4C=CC=CC=4)=NC(NC)=N3)C=C2)S(O)(=O)=O)=NC(NC2C=CC=CC=2)=N1"	"?"	"InChI=1S/C34H32N12O6S2/c1-35-29-41-31(37-23-9-5-3-6-10-23)45-33(43-29)39-25-17-15-21(27(19-25)53(47,48)49)13-14-22-16-18-26(20-28(22)54(50,51)52)40-34-44-30(36-2)42-32(46-34)38-24-11-7-4-8-12-24/h3-20H,1-2H3,(H,47,48,49)(H,50,51,52)(H3,35,37,39,41,43,45)(H3,36,38,40,42,44,46)"	"VSNAWXHIKBJFHM-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"3564-27-0"	"DTXSID0063078"	"Benzoic acid, 2-hydroxy-5-[[4-[(4-sulfophenyl)azo]phenyl]azo]-, disodium salt"	"EPA_DSSTox"	"OC(=O)C1C=C(C=CC=1O)N=NC1C=CC(=CC=1)N=NC1C=CC(=CC=1)S(O)(=O)=O"	"[Na+].[Na+]"	"InChI=1S/C19H14N4O6S/c24-18-10-7-15(11-17(18)19(25)26)23-22-13-3-1-12(2-4-13)20-21-14-5-8-16(9-6-14)30(27,28)29/h1-11,24H,(H,25,26)(H,27,28,29)"	"VVHOUPGUNISBKS-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3566-00-5"	"DTXSID5041485"	"3-Methyl-4-(methylthio)phenyl methylcarbamate"	"EPA_DSSTox"	"CC1=CC(=CC=C1SC)OC(=O)NC"	"?"	"InChI=1S/C10H13NO2S/c1-7-6-8(13-10(12)11-2)4-5-9(7)14-3/h4-6H,1-3H3,(H,11,12)"	"SLZKSCPVPMUGAP-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"3566-10-7"	"DTXSID0058067"	"Ambam"	"EPA_DSSTox"	"SC(S)=NCCN=C(S)S"	"N.N"	"InChI=1S/C4H8N2S4/c7-3(8)5-1-2-6-4(9)10/h1-2H2,(H2,5,7,8)(H2,6,9,10)"	"AWYFNIZYMPNGAI-UHFFFAOYSA-N"	FALSE	FALSE	395	2	4
"3566-76-5"	"DTXSID80189165"	"Phosphonic acid, (2,2-dichloro-1-hydroxyvinyl)-, dimethyl ester, acetate"	"EPA_DSSTox"	"CC(=O)OC(=C(Cl)Cl)P(=O)(OC)OC"	"?"	"InChI=1S/C6H9Cl2O5P/c1-4(9)13-6(5(7)8)14(10,11-2)12-3/h1-3H3"	"MBRBXYPIKYUZFW-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"3567-08-6"	"DTXSID0046276"	"Glysobuzole"	"EPA_DSSTox"	"COC1C=CC(=CC=1)S(=O)(=O)NC1=NN=C(CC(C)C)S1"	"?"	"InChI=1S/C13H17N3O3S2/c1-9(2)8-12-14-15-13(20-12)16-21(17,18)11-6-4-10(19-3)5-7-11/h4-7,9H,8H2,1-3H3,(H,15,16)"	"LZCBNYVJTNCPDR-UHFFFAOYSA-N"	FALSE	FALSE	534	3	4
"3567-62-2"	"DTXSID3042180"	"N-(3,4-Dichlorophenyl)-N'-methylurea"	"EPA_DSSTox"	"CNC(=O)NC1=CC(Cl)=C(Cl)C=C1"	"?"	"InChI=1S/C8H8Cl2N2O/c1-11-8(13)12-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H2,11,12,13)"	"IDQHRQQSSQDLTR-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"3567-69-9"	"DTXSID3021225"	"C.I. Acid Red 14"	"EPA_DSSTox"	"OC1C2C=CC=CC=2C(=CC=1N=NC1=CC=C(C2C=CC=CC=21)S(O)(=O)=O)S(O)(=O)=O"	"[Na+].[Na+]"	"InChI=1S/C20H14N2O7S2/c23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16/h1-11,23H,(H,24,25,26)(H,27,28,29)"	"TVWOWDDBXAFQDG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3567-76-8"	NA	NA	"Public_CrossChecked"	"NC1C=C2C(=O)NC(CCCl)OC2=CC=1"	"?"	"InChI=1S/C10H11ClN2O2/c11-4-3-9-13-10(14)7-5-6(12)1-2-8(7)15-9/h1-2,5,9H,3-4,12H2,(H,13,14)"	"PCYLDXMXEPSXFW-UHFFFAOYSA-N"	FALSE	FALSE	1958	3	4
"3568-24-9"	"DTXSID3046950"	"Propionylpromazine"	"EPA_DSSTox"	"CN(C)CCCN1C2C=C(C=CC=2SC2C=CC=CC1=2)C(=O)CC"	"?"	"InChI=1S/C20H24N2OS/c1-4-18(23)15-10-11-20-17(14-15)22(13-7-12-21(2)3)16-8-5-6-9-19(16)24-20/h5-6,8-11,14H,4,7,12-13H2,1-3H3"	"ZQTVCQIJTREKSP-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"3568-56-7"	"DTXSID8042131"	"Merpofos"	"EPA_DSSTox"	"CC1=CC(=CC=C1SC)OP(=O)(NC)OCC"	"?"	"InChI=1S/C11H18NO3PS/c1-5-14-16(13,12-3)15-10-6-7-11(17-4)9(2)8-10/h6-8H,5H2,1-4H3,(H,12,13)"	"VIGWXGSGUNDGNC-UHFFFAOYSA-N"	TRUE	FALSE	5	1	2
"35691-25-9"	NA	NA	"Public_CrossChecked"	"CP(=O)(OC1C=CC(=CC=1)[N+]([O-])=O)C1C=CC=CC=1"	"?"	"InChI=1S/C13H12NO4P/c1-19(17,13-5-3-2-4-6-13)18-12-9-7-11(8-10-12)14(15)16/h2-10H,1H3"	"PCEUKRKDODJUND-UHFFFAOYSA-N"	TRUE	FALSE	12.5	1	2
"357-08-4"	NA	NA	"Public_CrossChecked"	"C=CCN1CCC23C4OC5=C2C(CC1C3(O)CCC4=O)=CC=C5O"	"Cl"	"InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2"	"UZHSEJADLWPNLE-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"357-56-2"	"DTXSID8022909"	"Dextromoramide"	"EPA_DSSTox"	"CC(CN1CCOCC1)C(C(=O)N1CCCC1)(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C25H32N2O2/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3"	"INUNXTSAACVKJS-UHFFFAOYSA-N"	FALSE	FALSE	71.8	2	3
"357-57-3"	"DTXSID2024662"	"Brucine"	"EPA_DSSTox"	"COC1=CC2=C(C=C1OC)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5CC34"	"?"	"InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3"	"RRKTZKIUPZVBMF-UHFFFAOYSA-N"	TRUE	FALSE	1	1	1
"3570-46-5"	NA	NA	"Public_CrossChecked"	"CCOC1=CC=CC2OCC(CNCCCC)OC1=2"	"?"	"InChI=1S/C15H23NO3/c1-3-5-9-16-10-12-11-18-14-8-6-7-13(17-4-2)15(14)19-12/h6-8,12,16H,3-5,9-11H2,1-2H3"	"WKRAEDUMAWVCOC-UHFFFAOYSA-N"	FALSE	FALSE	348	2	4
"3570-98-7"	"DTXSID40189222"	"M&B 4321"	"EPA_DSSTox"	"CS(=O)(=O)C1C=CC(CN(CCO)C(=O)C(Cl)Cl)=CC=1"	"?"	"InChI=1S/C12H15Cl2NO4S/c1-20(18,19)10-4-2-9(3-5-10)8-15(6-7-16)12(17)11(13)14/h2-5,11,16H,6-8H2,1H3"	"OPFDKKDNWVSUGM-UHFFFAOYSA-N"	FALSE	TRUE	12500	4	5
"35702-75-1"	"DTXSID30336622"	"1,6-Octadiene, 8-methoxy-"	"EPA_DSSTox"	"COCC=CCCCC=C"	"?"	"InChI=1S/C9H16O/c1-3-4-5-6-7-8-9-10-2/h3,7-8H,1,4-6,9H2,2H3"	"MIJJHRIQVWIQGL-UHFFFAOYSA-N"	FALSE	TRUE	4904	3	5
"3571-74-2"	"DTXSID30189231"	"Thiazole, 4,5-dihydro-2-(2-propenylthio)- (9CI)"	"EPA_DSSTox"	"C=CCSC1=NCCS1"	"?"	"InChI=1S/C6H9NS2/c1-2-4-8-6-7-3-5-9-6/h2H,1,3-5H2"	"HOULSWDLZNLUIV-UHFFFAOYSA-N"	FALSE	FALSE	110	2	3
"35711-34-3"	"DTXSID2091546"	"Tolmetin sodium salt"	"EPA_DSSTox"	"CC1C=CC(=CC=1)C(=O)C1=CC=C(CC(O)=O)N1C"	"[Na+]"	"InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)"	"UPSPUYADGBWSHF-UHFFFAOYSA-N"	FALSE	FALSE	914	3	4
"35712-88-0"	NA	NA	"Public_CrossChecked"	"CC1CCCc2[n]1c(=O)c(c[n+]2CC)C(=O)OCC"	"?"	"InChI=1S/C14H21N2O3/c1-4-15-9-11(14(18)19-5-2)13(17)16-10(3)7-6-8-12(15)16/h9-10H,4-8H2,1-3H3/q+1"	"XERKRRZOBJYDNG-UHFFFAOYSA-N"	FALSE	FALSE	1353	3	4
"3572-41-6"	"DTXSID40189242"	"p-Toluenesulfonamide, N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-"	"EPA_DSSTox"	"CC1C=CC(=CC=1)S(=O)(=O)NC1=NN=C(CC(C)C)S1"	"?"	"InChI=1S/C13H17N3O2S2/c1-9(2)8-12-14-15-13(19-12)16-20(17,18)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3,(H,15,16)"	"PCAGBWNSEHFSDS-UHFFFAOYSA-N"	FALSE	TRUE	2400	3	5
"3576-64-5"	"DTXSID30189296"	"Clefamide"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC(=CC=1)OC1C=CC(CN(CCO)C(=O)C(Cl)Cl)=CC=1"	"?"	"InChI=1S/C17H16Cl2N2O5/c18-16(19)17(23)20(9-10-22)11-12-1-5-14(6-2-12)26-15-7-3-13(4-8-15)21(24)25/h1-8,16,22H,9-11H2"	"ODCUSWJXZDHLKV-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3576-88-3"	NA	NA	"Public_CrossChecked"	"NC1=NC(N)=NC(NC2=NC(N)=NC(N)=N2)=N1"	"?"	"InChI=1S/C6H9N11/c7-1-11-2(8)14-5(13-1)17-6-15-3(9)12-4(10)16-6/h(H9,7,8,9,10,11,12,13,14,15,16,17)"	"YZEZMSPGIPTEBA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"35764-59-1"	"DTXSID7091547"	"d-cis-Resmethrin"	"EPA_DSSTox"	"CC(C)=CC1C(C(=O)OCC2C=C(CC3C=CC=CC=3)OC=2)C1(C)C"	"?"	"InChI=1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3"	"VEMKTZHHVJILDY-UHFFFAOYSA-N"	FALSE	FALSE	63	2	3
"35782-82-2"	NA	NA	"Public_CrossChecked"	"CC1NC(=O)C2C=C(N)C=CC=2O1"	"?"	"InChI=1S/C9H10N2O2/c1-5-11-9(12)7-4-6(10)2-3-8(7)13-5/h2-5H,10H2,1H3,(H,11,12)"	"HYPRMQUEBGSBOD-UHFFFAOYSA-N"	FALSE	FALSE	1415	3	4
"358-21-4"	"DTXSID20189326"	"Ethane, 1,1'-oxybis(1,1,2,2,2-pentafluoro- (9CI)"	"EPA_DSSTox"	"FC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F"	"?"	"InChI=1S/C4F10O/c5-1(6,7)3(11,12)15-4(13,14)2(8,9)10"	"ORNGPPZBMMHKPM-UHFFFAOYSA-N"	FALSE	TRUE	20000	4	5
"3581-11-1"	NA	NA	"Public_CrossChecked"	"COC1C=C(C=CC=1OP(=S)(OC)OC)C#N"	"?"	"InChI=1S/C10H12NO4PS/c1-12-10-6-8(7-11)4-5-9(10)15-16(17,13-2)14-3/h4-6H,1-3H3"	"JFEUEPKNHJHJDY-UHFFFAOYSA-N"	FALSE	TRUE	2710	3	5
"35822-46-9"	"DTXSID1052034"	"1,2,3,4,6,7,8-Heptachlorodibenzodioxin"	"EPA_DSSTox"	"ClC1C=C2OC3=C(OC2=C(Cl)C=1Cl)C(Cl)=C(Cl)C(Cl)=C3Cl"	"?"	"InChI=1S/C12HCl7O2/c13-2-1-3-10(7(17)4(2)14)21-12-9(19)6(16)5(15)8(18)11(12)20-3/h1H"	"WCLNVRQZUKYVAI-UHFFFAOYSA-N"	TRUE	FALSE	6.325	1	2
"3583-47-9"	NA	NA	"Public_CrossChecked"	"ClCC1OC1CCl"	"?"	"InChI=1S/C4H6Cl2O/c5-1-3-4(2-6)7-3/h3-4H,1-2H2"	"VUSYFNXNYLAECV-UHFFFAOYSA-N"	FALSE	FALSE	710	3	4
"3583-63-9"	"DTXSID7075000"	"2,2,2-Trichloro-N-(pentachlorophenyl)ethanimidoyl chloride"	"EPA_DSSTox"	"ClC1=C(N=C(Cl)C(Cl)(Cl)Cl)C(Cl)=C(Cl)C(Cl)=C1Cl"	"?"	"InChI=1S/C8Cl9N/c9-1-2(10)4(12)6(5(13)3(1)11)18-7(14)8(15,16)17"	"NHGXWCCMYRPQOV-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"35850-79-4"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCCOCCCN(C(CC(=O)OCC)C(=O)OCC)C(=O)CC(C(O)=O)S(O)(=O)=O"	"[Na+].[Na+]"	"InChI=1S/C25H45NO11S/c1-4-7-8-9-10-11-12-13-16-35-17-14-15-26(22(27)19-21(24(29)30)38(32,33)34)20(25(31)37-6-3)18-23(28)36-5-2/h20-21H,4-19H2,1-3H3,(H,29,30)(H,32,33,34)"	"OZWFLAVAAIGNFK-UHFFFAOYSA-N"	FALSE	TRUE	16200	4	5
"35869-64-8"	"DTXSID3067948"	"2-Naphthalenecarboxamide, N,N'-(2-chloro-1,4-phenylene)bis[4-[(4-chloro-2-nitrophenyl)azo]-3-hydroxy-"	"EPA_DSSTox"	"[O-][N+](=O)C1C=C(Cl)C=CC=1N=NC1C2=CC=CC=C2C=C(C(=O)NC2C=CC(=CC=2Cl)NC(=O)C2=CC3=CC=CC=C3C(N=NC3C=CC(Cl)=CC=3[N+]([O-])=O)=C2O)C=1O"	"?"	"InChI=1S/C40H23Cl3N8O8/c41-22-9-12-31(33(17-22)50(56)57)46-48-35-25-7-3-1-5-20(25)15-27(37(35)52)39(54)44-24-11-14-30(29(43)19-24)45-40(55)28-16-21-6-2-4-8-26(21)36(38(28)53)49-47-32-13-10-23(42)18-34(32)51(58)59/h1-19,52-53H,(H,44,54)(H,45,55)"	"IDISPOJSCQQBFF-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"359-83-1"	"DTXSID7023433"	"dl-Pentazocine"	"EPA_DSSTox"	"CC(C)=CCN1CCC2(C)C(C)C1CC1C=CC(O)=CC2=1"	"?"	"InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3"	"VOKSWYLNZZRQPF-UHFFFAOYSA-N"	FALSE	FALSE	1110	3	4
"35944-73-1"	NA	NA	"Public_CrossChecked"	"O=S(=O)(F)C1CC(CC1)S(=O)(=O)F"	"?"	"InChI=1S/C5H8F2O4S2/c6-12(8,9)4-1-2-5(3-4)13(7,10)11/h4-5H,1-3H2"	"AEBJPMMMKMMACK-UHFFFAOYSA-N"	TRUE	FALSE	7.9	1	2
"35944-83-3"	NA	NA	"Public_CrossChecked"	"CC(C)NP(O)(=S)OC1C=C(Cl)C(Cl)=CC=1Cl"	"?"	"InChI=1S/C9H11Cl3NO2PS/c1-5(2)13-16(14,17)15-9-4-7(11)6(10)3-8(9)12/h3-5H,1-2H3,(H2,13,14,17)"	"IFPRLVXXXTYJQS-UHFFFAOYSA-N"	TRUE	FALSE	31	1	2
"35967-28-3"	NA	NA	"Public_CrossChecked"	"COC(=O)C1C=CC=CC=1N=NN(C)C"	"?"	"InChI=1S/C10H13N3O2/c1-13(2)12-11-9-7-5-4-6-8(9)10(14)15-3/h4-7H,1-3H3"	"BAGBQDMUYKXJIR-UHFFFAOYSA-N"	TRUE	FALSE	13	1	2
"35972-50-0"	NA	NA	"Public_CrossChecked"	"COC(=O)C1C=C(C=CC=1)N=NN(C)C"	"?"	"InChI=1S/C10H13N3O2/c1-13(2)12-11-9-6-4-5-8(7-9)10(14)15-3/h4-7H,1-3H3"	"VIHRSKPFPROVEQ-UHFFFAOYSA-N"	FALSE	FALSE	60	2	3
"360-53-2"	"DTXSID5073167"	"1-Propene, 1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)-"	"EPA_DSSTox"	"COC(F)=C(C(F)(F)F)C(F)(F)F"	"?"	"InChI=1S/C5H3F7O/c1-13-3(6)2(4(7,8)9)5(10,11)12/h1H3"	"FSDLLONBRLBIBL-UHFFFAOYSA-N"	FALSE	FALSE	1070	3	4
"36011-19-5"	NA	NA	"Public_CrossChecked"	"CC12OC1C1C=CCC(C)C(=O)C(C)(O)C=COC(=O)OC31C(C(CC1C=CC=CC=1)NC3=O)C2C |c:6,16|"	"?"	"InChI=1S/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8-,14-13-"	"LAJXCUNOQSHRJO-PYASBWALSA-N"	TRUE	FALSE	9.1	1	2
"36014-71-8"	"DTXSID40189580"	"4-Benzimidazolesulfonamide, N,N-diethyl-5,6,7-trichloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"CCN(CC)S(=O)(=O)C1=C2N=C(NC2=C(Cl)C(Cl)=C1Cl)C(F)(F)F"	"?"	"InChI=1S/C12H11Cl3F3N3O2S/c1-3-21(4-2)24(22,23)10-7(15)5(13)6(14)8-9(10)20-11(19-8)12(16,17)18/h3-4H2,1-2H3,(H,19,20)"	"MSTNWDNIHYKVMD-UHFFFAOYSA-N"	TRUE	FALSE	11.169	1	2
"36014-72-9"	"DTXSID00189581"	"4-Benzimidazolesulfonamide, N,N-dimethyl-5,6,7-trichloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"CN(C)S(=O)(=O)C1=C2N=C(NC2=C(Cl)C(Cl)=C1Cl)C(F)(F)F"	"?"	"InChI=1S/C10H7Cl3F3N3O2S/c1-19(2)22(20,21)8-5(13)3(11)4(12)6-7(8)18-9(17-6)10(14,15)16/h1-2H3,(H,17,18)"	"IMNCVEVBWUFKIU-UHFFFAOYSA-N"	TRUE	FALSE	4.768	1	1
"3604-99-7"	"DTXSID60189603"	"1-Naphthylamine, 5,8-dichloro-"	"EPA_DSSTox"	"NC1=CC=CC2=C1C(Cl)=CC=C2Cl"	"?"	"InChI=1S/C10H7Cl2N/c11-7-4-5-8(12)10-6(7)2-1-3-9(10)13/h1-5H,13H2"	"XRUHWPCWXZKWDO-UHFFFAOYSA-N"	FALSE	TRUE	3490	3	5
"36061-95-7"	NA	NA	"Public_CrossChecked"	"COC(CNCC1C=CC=CC=1)C1=CC(=CC=C1)C(F)(F)F"	"Cl"	"InChI=1S/C17H18F3NO/c1-22-16(12-21-11-13-6-3-2-4-7-13)14-8-5-9-15(10-14)17(18,19)20/h2-10,16,21H,11-12H2,1H3"	"AVOUWNCXBIGLOP-UHFFFAOYSA-N"	FALSE	FALSE	1723	3	4
"36088-22-9"	NA	NA	"Public_CrossChecked"	"ClC1=C2OC3C(=CC=CC=3Cl)OC2=C(Cl)C(Cl)=C1Cl"	"?"	"InChI=1S/C12H3Cl5O2/c13-4-2-1-3-5-10(4)19-12-9(17)7(15)6(14)8(16)11(12)18-5/h1-3H"	"LNWDBNKKBLRAMH-UHFFFAOYSA-N"	TRUE	FALSE	0.206	1	1
"361-37-5"	"DTXSID2023307"	"Methysergide"	"EPA_DSSTox"	"CCC(CO)NC(=O)C1CN(C)C2CC3=CN(C)C4=CC=CC(C2=C1)=C34"	"?"	"InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)"	"KPJZHOPZRAFDTN-UHFFFAOYSA-N"	FALSE	TRUE	2100	3	5
"3610-27-3"	"DTXSID60863219"	"Ethanol, 2-[2-(2-methoxyethoxy)ethoxy]-, 1-acetate"	"EPA_DSSTox"	"COCCOCCOCCOC(C)=O"	"?"	"InChI=1S/C9H18O5/c1-9(10)14-8-7-13-6-5-12-4-3-11-2/h3-8H2,1-2H3"	"SDHQGBWMLCBNSM-UHFFFAOYSA-N"	FALSE	TRUE	11000	4	5
"36104-80-0"	NA	NA	"Public_CrossChecked"	"CN(C)C(=O)OC1N=C(C2C=C(Cl)C=CC=2N(C)C1=O)C1C=CC=CC=1"	"?"	"InChI=1S/C19H18ClN3O3/c1-22(2)19(25)26-17-18(24)23(3)15-10-9-13(20)11-14(15)16(21-17)12-7-5-4-6-8-12/h4-11,17H,1-3H3"	"PXBVEXGRHZFEOF-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"36105-20-1"	"DTXSID40189686"	"Flurazepam monohydrochloride"	"EPA_DSSTox"	"CCN(CCN1C(=O)CN=C(C2C=CC=CC=2F)C2C=C(Cl)C=CC1=2)CC"	"Cl"	"InChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3"	"SAADBVWGJQAEFS-UHFFFAOYSA-N"	FALSE	FALSE	978	3	4
"36117-76-7"	NA	NA	"Public_CrossChecked"	"OC1C=C(Cl)C(Cl)=C(Cl)C=1C1C(OCl)=C(Cl)C(Cl)=C(Cl)C=1Cl"	"?"	"InChI=1S/C12H2Cl8O2/c13-2-1-3(21)4(7(15)6(2)14)5-8(16)9(17)10(18)11(19)12(5)22-20/h1,21H"	"KNRSODWIPSHTSR-UHFFFAOYSA-N"	FALSE	FALSE	360	2	4
"36120-57-7"	NA	NA	"Public_CrossChecked"	"CN(C)N=NC1=CC(=CC=C1)C(N)=O"	"?"	"InChI=1S/C9H12N4O/c1-13(2)12-11-8-5-3-4-7(6-8)9(10)14/h3-6H,1-2H3,(H2,10,14)"	"XKCXZUQTZBASRF-UHFFFAOYSA-N"	FALSE	FALSE	54	2	3
"361377-29-9"	"DTXSID2034625"	"Fluoxastrobin"	"EPA_DSSTox"	"CON=C(C1=NOCCO1)C1=CC=CC=C1OC1=NC=NC(OC2C=CC=CC=2Cl)=C1F"	"?"	"InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3"	"UFEODZBUAFNAEU-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"3614-30-0"	"DTXSID50875265"	"Emepronium Bromide"	"EPA_DSSTox"	"CC(CC(C1C=CC=CC=1)C1C=CC=CC=1)[N+](C)(C)CC"	"[Br-]"	"InChI=1S/C20H28N/c1-5-21(3,4)17(2)16-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20H,5,16H2,1-4H3/q+1"	"JEJBJBKVPOWOQK-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"36167-63-2"	"DTXSID0045464"	"Halofantrine hydrochloride"	"EPA_DSSTox"	"CCCCN(CCC(O)C1=CC2=C(C=C(Cl)C=C2Cl)C2C=C(C=CC=21)C(F)(F)F)CCCC"	"Cl"	"InChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3"	"FOHHNHSLJDZUGQ-UHFFFAOYSA-N"	FALSE	TRUE	3400	3	5
"36175-10-7"	NA	NA	"Public_CrossChecked"	"CC(=O)OC1C=CC(=CC=1)C(C1C=CC=CN=1)C1C=CC(=CC=1)OS(O)(=O)=O"	"[Na+]"	"InChI=1S/C20H17NO6S/c1-14(22)26-17-9-5-15(6-10-17)20(19-4-2-3-13-21-19)16-7-11-18(12-8-16)27-28(23,24)25/h2-13,20H,1H3,(H,23,24,25)"	"WGPIWCOQSVJEIF-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"3618-72-2"	"DTXSID8027539"	"C.I. Disperse Blue 79:1"	"EPA_DSSTox"	"COC1=CC(N=NC2=C(Br)C=C(C=C2[N+]([O-])=O)[N+]([O-])=O)=C(C=C1N(CCOC(C)=O)CCOC(C)=O)NC(C)=O"	"?"	"InChI=1S/C23H25BrN6O10/c1-13(31)25-18-11-20(28(5-7-39-14(2)32)6-8-40-15(3)33)22(38-4)12-19(18)26-27-23-17(24)9-16(29(34)35)10-21(23)30(36)37/h9-12H,5-8H2,1-4H3,(H,25,31)"	"JSRUDOBCTLPTFO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3622-84-2"	"DTXSID7027540"	"N-Butylbenzenesulfonamide"	"EPA_DSSTox"	"CCCCNS(=O)(=O)C1C=CC=CC=1"	"?"	"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"	FALSE	TRUE	2050	3	5
"3626-56-0"	NA	NA	"Public_CrossChecked"	"CC(C#N)N1CCOCC1"	"?"	"InChI=1S/C7H12N2O/c1-7(6-8)9-2-4-10-5-3-9/h7H,2-5H2,1H3"	"YRJOBFAKVQTZCE-UHFFFAOYSA-N"	FALSE	FALSE	87	2	3
"363-24-6"	"DTXSID4022947"	"Dinoprostone"	"EPA_DSSTox"	"CCCCCC(O)C=CC1C(CC=CCCCC(O)=O)C(=O)CC1O"	"?"	"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)"	"XEYBRNLFEZDVAW-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"363-72-4"	"DTXSID8059893"	"Pentafluorobenzene"	"EPA_DSSTox"	"FC1=CC(F)=C(F)C(F)=C1F"	"?"	"InChI=1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H"	"WACNXHCZHTVBJM-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"363-97-3"	"DTXSID00189844"	"Fluorothion"	"EPA_DSSTox"	"COP(=S)(OC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F)OC"	"?"	"InChI=1S/C9H9F3NO5PS/c1-16-19(20,17-2)18-6-3-4-8(13(14)15)7(5-6)9(10,11)12/h3-5H,1-2H3"	"MGNFAYYTCYNTGM-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"36304-84-4"	"DTXSID4048723"	"Dimemorfan phosphate"	"EPA_DSSTox"	"CC1C=CC2CC3C4CCCCC4(CCN3C)C=2C=1"	"P(=O)(O)(O)O"	"InChI=1S/C18H25N/c1-13-6-7-14-12-17-15-5-3-4-8-18(15,16(14)11-13)9-10-19(17)2/h6-7,11,15,17H,3-5,8-10,12H2,1-2H3"	"KBEZZLAAKIIPFK-UHFFFAOYSA-N"	FALSE	FALSE	690	3	4
"36306-87-3"	"DTXSID6052039"	"4-(1-Ethoxyethenyl)-3,3,5,5-tetramethylcyclohexanone"	"EPA_DSSTox"	"CCOC(=C)C1C(C)(C)CC(=O)CC1(C)C"	"?"	"InChI=1S/C14H24O2/c1-7-16-10(2)12-13(3,4)8-11(15)9-14(12,5)6/h12H,2,7-9H2,1,3-6H3"	"YLNYLLVKHRZLGO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"36329-36-9"	"DTXSID00189869"	"1-Piperazineacetic acid, 2-(5-nitrofurfurylidene)hydrazide"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC=C(C=NNC(=O)CN2CCNCC2)O1"	"?"	"InChI=1S/C11H15N5O4/c17-10(8-15-5-3-12-4-6-15)14-13-7-9-1-2-11(20-9)16(18)19/h1-2,7,12H,3-6,8H2,(H,14,17)"	"WPBSQIMKZPFDNV-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"36330-85-5"	"DTXSID9023043"	"Fenbufen"	"EPA_DSSTox"	"OC(=O)CCC(=O)C1C=CC(=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)"	"ZPAKPRAICRBAOD-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"36350-95-5"	"DTXSID20189881"	"2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, phenylaminomethyl-"	"EPA_DSSTox"	"C(NC1C=CC=CC=1)[Si]12OCCN(CCO1)CCO2"	"?"	"InChI=1S/C13H20N2O3Si/c1-2-4-13(5-3-1)14-12-19-16-9-6-15(7-10-17-19)8-11-18-19/h1-5,14H,6-12H2"	"YGHSPISFNKUQEY-UHFFFAOYSA-N"	TRUE	FALSE	0.328	1	1
"36366-93-5"	"DTXSID3041295"	"2-(2-(2-(2-Phenoxyethoxy)ethoxy)ethoxy)ethanol"	"EPA_DSSTox"	"OCCOCCOCCOCCOC1C=CC=CC=1"	"?"	"InChI=1S/C14H22O5/c15-6-7-16-8-9-17-10-11-18-12-13-19-14-4-2-1-3-5-14/h1-5,15H,6-13H2"	"RGRVGOMPHMWMJX-UHFFFAOYSA-N"	FALSE	FALSE	1260	3	4
"364-62-5"	"DTXSID6045169"	"Metoclopramide"	"EPA_DSSTox"	"COC1=CC(N)=C(Cl)C=C1C(=O)NCCN(CC)CC"	"?"	"InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)"	"TTWJBBZEZQICBI-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"364-76-1"	"DTXSID5052042"	"4-Fluoro-3-nitroaniline"	"EPA_DSSTox"	"NC1C=C(C(F)=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C6H5FN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2"	"LLIOADBCFIXIEU-UHFFFAOYSA-N"	FALSE	FALSE	1100	3	4
"364-98-7"	"DTXSID7022914"	"Diazoxide"	"EPA_DSSTox"	"CC1NS(=O)(=O)C2=CC(Cl)=CC=C2N=1"	"?"	"InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)"	"GDLBFKVLRPITMI-UHFFFAOYSA-N"	FALSE	FALSE	980	3	4
"3641-49-4"	NA	NA	"Public_CrossChecked"	"NC(CC1C=C(C(O)=CC=1)C(O)=O)C(O)=O"	"?"	"InChI=1S/C10H11NO5/c11-7(10(15)16)4-5-1-2-8(12)6(3-5)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)(H,15,16)"	"AZXBADPWXOWMKQ-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"3641-50-7"	NA	NA	"Public_CrossChecked"	"COC1C=CC(CC(N)C(O)=O)=CC=1C(O)=O"	"?"	"InChI=1S/C11H13NO5/c1-17-9-3-2-6(4-7(9)10(13)14)5-8(12)11(15)16/h2-4,8H,5,12H2,1H3,(H,13,14)(H,15,16)"	"DXJCCIMDJQJHPX-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"3644-61-9"	"DTXSID2045868"	"Tolperisone hydrochloride"	"EPA_DSSTox"	"CC1C=CC(=CC=1)C(=O)C(C)CN1CCCCC1"	"Cl"	"InChI=1S/C16H23NO/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3"	"FSKFPVLPFLJRQB-UHFFFAOYSA-N"	FALSE	FALSE	1450	3	4
"36443-68-2"	"DTXSID0044236"	"Triethylene glycol bis(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate"	"EPA_DSSTox"	"CC1C=C(CCC(=O)OCCOCCOCCOC(=O)CCC2C=C(C)C(O)=C(C=2)C(C)(C)C)C=C(C=1O)C(C)(C)C"	"?"	"InChI=1S/C34H50O8/c1-23-19-25(21-27(31(23)37)33(3,4)5)9-11-29(35)41-17-15-39-13-14-40-16-18-42-30(36)12-10-26-20-24(2)32(38)28(22-26)34(6,7)8/h19-22,37-38H,9-18H2,1-8H3"	"QSRJVOOOWGXUDY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"36476-78-5"	"DTXSID1041479"	"3-Azetidinecarboxylic acid"	"EPA_DSSTox"	"OC(=O)C1CNC1"	"?"	"InChI=1S/C4H7NO2/c6-4(7)3-1-5-2-3/h3,5H,1-2H2,(H,6,7)"	"GFZWHAAOIVMHOI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3648-20-2"	"DTXSID7025215"	"Diundecyl phthalate"	"EPA_DSSTox"	"CCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCC"	"?"	"InChI=1S/C30H50O4/c1-3-5-7-9-11-13-15-17-21-25-33-29(31)27-23-19-20-24-28(27)30(32)34-26-22-18-16-14-12-10-8-6-4-2/h19-20,23-24H,3-18,21-22,25-26H2,1-2H3"	"QQVHEQUEHCEAKS-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3648-36-0"	"DTXSID80884002"	"3H-Indolium, 2-[2-[4-[(2-chloroethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, chloride (1:1)"	"EPA_DSSTox"	"CN(CCCl)C1C=CC(/C=C/C2=[N+](C)C3C=CC=CC=3C2(C)C)=CC=1"	"[Cl-]"	"InChI=1S/C22H26ClN2/c1-22(2)19-7-5-6-8-20(19)25(4)21(22)14-11-17-9-12-18(13-10-17)24(3)16-15-23/h5-14H,15-16H2,1-4H3/q+1"	"VBYTYJCVXMXUBS-UHFFFAOYSA-N"	FALSE	TRUE	2260	3	5
"36519-00-3"	"DTXSID0058069"	"Phosdiphen"	"EPA_DSSTox"	"CCOP(=O)(OC1=CC=C(Cl)C=C1Cl)OC1=CC=C(Cl)C=C1Cl"	"?"	"InChI=1S/C14H11Cl4O4P/c1-2-20-23(19,21-13-5-3-9(15)7-11(13)17)22-14-6-4-10(16)8-12(14)18/h3-8H,2H2,1H3"	"HEMINMLPKZELPP-UHFFFAOYSA-N"	FALSE	TRUE	6200	4	5
"3653-48-3"	"DTXSID2034700"	"MCPA-sodium"	"EPA_DSSTox"	"CC1C=C(Cl)C=CC=1OCC(O)=O"	"[Na+]"	"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"	FALSE	FALSE	800	3	4
"365400-11-9"	"DTXSID2044343"	"Pyrasulfotole"	"EPA_DSSTox"	"CC1=NN(C)C(O)=C1C(=O)C1=CC=C(C=C1S(C)(=O)=O)C(F)(F)F"	"?"	"InChI=1S/C14H13F3N2O4S/c1-7-11(13(21)19(2)18-7)12(20)9-5-4-8(14(15,16)17)6-10(9)24(3,22)23/h4-6,21H,1-3H3"	"DWSPRBSLSXQIEJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"365411-50-3"	"DTXSID80889173"	"Indeno[4,5-d]-1,3-dioxin, 4,4a,5,6,7,8,9,9b-octahydro-7,7,8,9,9-pentamethyl-"	"EPA_DSSTox"	"CC1C(C)(C)C2CCC3COCOC3C=2C1(C)C"	"?"	"InChI=1S/C16H26O2/c1-10-15(2,3)12-7-6-11-8-17-9-18-14(11)13(12)16(10,4)5/h10-11,14H,6-9H2,1-5H3"	"NJQDALIDWNJDSW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"3655-88-7"	"DTXSID50190046"	"4H,6H-1,3,5-Thiadiazineacetic acid, 5-methyl-6-thioxo-"	"EPA_DSSTox"	"CN1CN(CSC1=S)CC(O)=O"	"?"	"InChI=1S/C6H10N2O2S2/c1-7-3-8(2-5(9)10)4-12-6(7)11/h2-4H2,1H3,(H,9,10)"	"RNEWOGXVMQIGRH-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"36556-75-9"	NA	NA	"Public_CrossChecked"	"Cc1ccc(OCC(O)CNC(C)(C)C)c2oc(=O)ccc12"	"Cl"	"InChI=1S/C17H23NO4/c1-11-5-7-14(16-13(11)6-8-15(20)22-16)21-10-12(19)9-18-17(2,3)4/h5-8,12,18-19H,9-10H2,1-4H3"	"CIJVBYRUFLGDHY-UHFFFAOYSA-N"	FALSE	FALSE	676	3	4
"36576-44-0"	"DTXSID00190071"	"Alanine, N-(6-(ethylamino)-1,4-dihydro-4-oxo-1,3,5-triazin-2-yl)-2-methyl-"	"EPA_DSSTox"	"CCNC1NC(NC(C)(C)C(O)=O)=NC(=O)N=1"	"?"	"InChI=1S/C9H15N5O3/c1-4-10-6-11-7(13-8(17)12-6)14-9(2,3)5(15)16/h4H2,1-3H3,(H,15,16)(H3,10,11,12,13,14,17)"	"AXUUYNNVNOSTRP-UHFFFAOYSA-N"	FALSE	FALSE	789	3	4
"3658-48-8"	"DTXSID2044927"	"Bis(2-ethylhexyl) phosphonate"	"EPA_DSSTox"	"CCCCC(COP(=O)OCC(CCCC)CC)CC"	"?"	"InChI=1S/C16H35O3P/c1-5-9-11-15(7-3)13-18-20(17)19-14-16(8-4)12-10-6-2/h15-16,20H,5-14H2,1-4H3"	"HZIUHEQKVCPTAJ-UHFFFAOYSA-N"	FALSE	TRUE	11900	4	5
"3659-04-9"	NA	NA	"Public_CrossChecked"	"CCOP(=S)(OCC)SC1CCOC1=O"	"?"	"InChI=1S/C8H15O4PS2/c1-3-11-13(14,12-4-2)15-7-5-6-10-8(7)9/h7H,3-6H2,1-2H3"	"UJAJJOWXZNLLEO-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"36597-90-7"	NA	NA	"Public_CrossChecked"	"CCCC(=O)OC(Cl)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C6H8Cl4O2/c1-2-3-4(11)12-5(7)6(8,9)10/h5H,2-3H2,1H3"	"VRVMSNCOWHFEBP-UHFFFAOYSA-N"	FALSE	FALSE	1480	3	4
"366-18-7"	"DTXSID9040635"	"2,2'-Dipyridyl"	"EPA_DSSTox"	"C1=CC=CN=C1C1C=CC=CN=1"	"?"	"InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H"	"ROFVEXUMMXZLPA-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"366-70-1"	"DTXSID3021190"	"Procarbazine hydrochloride"	"EPA_DSSTox"	"CNNCC1C=CC(=CC=1)C(=O)NC(C)C"	"Cl"	"InChI=1S/C12H19N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16)"	"CPTBDICYNRMXFX-UHFFFAOYSA-N"	FALSE	FALSE	570	3	4
"36614-38-7"	"DTXSID9058070"	"Isothioate"	"EPA_DSSTox"	"CC(C)SCCSP(=S)(OC)OC"	"?"	"InChI=1S/C7H17O2PS3/c1-7(2)12-5-6-13-10(11,8-3)9-4/h7H,5-6H2,1-4H3"	"SPCNPOWOBZQWJK-UHFFFAOYSA-N"	FALSE	FALSE	150	2	3
"3669-32-7"	NA	NA	"Public_CrossChecked"	"ONC(=O)C=CC1C=CC=CC=1"	"?"	"InChI=1S/C9H9NO2/c11-9(10-12)7-6-8-4-2-1-3-5-8/h1-7,12H,(H,10,11)"	"UVDDFTZLVFIQFL-UHFFFAOYSA-N"	FALSE	TRUE	2140	3	5
"367-25-9"	"DTXSID6025064"	"2,4-Difluoroaniline"	"EPA_DSSTox"	"NC1=CC=C(F)C=C1F"	"?"	"InChI=1S/C6H5F2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2"	"CEPCPXLLFXPZGW-UHFFFAOYSA-N"	FALSE	FALSE	820	3	4
"367-51-1"	"DTXSID3026142"	"Sodium thioglycolate"	"EPA_DSSTox"	"OC(=O)CS"	"[Na+]"	"InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)"	"CWERGRDVMFNCDR-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"36702-44-0"	"DTXSID1020853"	"S(+)-2-Methyl-N-nitrosopiperidine"	"EPA_DSSTox"	"CC1CCCCN1N=O"	"?"	"InChI=1S/C6H12N2O/c1-6-4-2-3-5-8(6)7-9/h6H,2-5H2,1H3"	"SSPVLHFEMWOTGD-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"3671-18-9"	"DTXSID10190168"	"Benzimidazole, 6-chloro-4-nitro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC(Cl)=CC2NC(=NC=21)C(F)(F)F"	"?"	"InChI=1S/C8H3ClF3N3O2/c9-3-1-4-6(5(2-3)15(16)17)14-7(13-4)8(10,11)12/h1-2H,(H,13,14)"	"STOJWTVNHAJLBI-UHFFFAOYSA-N"	TRUE	FALSE	2.78	1	1
"3671-47-4"	"DTXSID70190169"	"Benzimidazole, 5-fluoro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC1C=CC2N=C(NC=2C=1)C(F)(F)F"	"?"	"InChI=1S/C8H4F4N2/c9-4-1-2-5-6(3-4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14)"	"ZZRMDPMUZKDLTO-UHFFFAOYSA-N"	TRUE	FALSE	16.591	1	2
"3671-61-2"	"DTXSID40190171"	"Benzimidazole-5-carbonitrile, 2-(trifluoromethyl)-"	"EPA_DSSTox"	"N#CC1=CC2NC(=NC=2C=C1)C(F)(F)F"	"?"	"InChI=1S/C9H4F3N3/c10-9(11,12)8-14-6-2-1-5(4-13)3-7(6)15-8/h1-3H,(H,14,15)"	"PMISAFNVEGVLSS-UHFFFAOYSA-N"	TRUE	FALSE	4.411	1	1
"3671-66-7"	"DTXSID00190172"	"Benzimidazole, 5-amino-2-(trifluoromethyl)-"	"EPA_DSSTox"	"NC1=CC2NC(=NC=2C=C1)C(F)(F)F"	"?"	"InChI=1S/C8H6F3N3/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7/h1-3H,12H2,(H,13,14)"	"CKEKFQLHCAZGSP-UHFFFAOYSA-N"	FALSE	FALSE	67	2	3
"3671-67-8"	"DTXSID60190173"	"Benzimidazole, 5-tert-butyl-2-(trifluoromethyl)-"	"EPA_DSSTox"	"CC(C)(C)C1=CC2NC(=NC=2C=C1)C(F)(F)F"	"?"	"InChI=1S/C12H13F3N2/c1-11(2,3)7-4-5-8-9(6-7)17-10(16-8)12(13,14)15/h4-6H,1-3H3,(H,16,17)"	"AOWYBSYMYIAJEV-UHFFFAOYSA-N"	TRUE	FALSE	35	1	2
"36734-19-7"	"DTXSID3024154"	"Iprodione"	"EPA_DSSTox"	"CC(C)NC(=O)N1CC(=O)N(C2C=C(Cl)C=C(Cl)C=2)C1=O"	"?"	"InChI=1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)"	"ONUFESLQCSAYKA-UHFFFAOYSA-N"	FALSE	TRUE	3500	3	5
"3674-13-3"	"DTXSID80871038"	"Propanoic acid, 2,3-dibromo-, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)C(Br)CBr"	"?"	"InChI=1S/C5H8Br2O2/c1-2-9-5(8)4(7)3-6/h4H,2-3H2,1H3"	"OENICUBCLXKLJQ-UHFFFAOYSA-N"	FALSE	FALSE	240	2	3
"36756-79-3"	"DTXSID6034425"	"Tiocarbazil"	"EPA_DSSTox"	"CCC(C)N(C(C)CC)C(=O)SCC1C=CC=CC=1"	"?"	"InChI=1S/C16H25NOS/c1-5-13(3)17(14(4)6-2)16(18)19-12-15-10-8-7-9-11-15/h7-11,13-14H,5-6,12H2,1-4H3"	"PHSUVQBHRAWOQD-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"36768-62-4"	"DTXSID3044388"	"2,2,6,6-Tetramethylpiperidin-4-amine"	"EPA_DSSTox"	"CC1(C)CC(N)CC(C)(C)N1"	"?"	"InChI=1S/C9H20N2/c1-8(2)5-7(10)6-9(3,4)11-8/h7,11H,5-6,10H2,1-4H3"	"FTVFPPFZRRKJIH-UHFFFAOYSA-N"	FALSE	FALSE	906	3	4
"36791-04-5"	"DTXSID8023557"	"Ribavirin"	"EPA_DSSTox"	"NC(=O)C1N=CN(N=1)C1OC(CO)C(O)C1O"	"?"	"InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)"	"IWUCXVSUMQZMFG-UHFFFAOYSA-N"	FALSE	TRUE	2700	3	5
"36798-79-5"	NA	NA	"Public_CrossChecked"	"CC(C)=CC(C)N=NC1N=NC=C2C=CC=CC2=1"	"?"	"InChI=1S/C14H16N4/c1-10(2)8-11(3)16-18-14-13-7-5-4-6-12(13)9-15-17-14/h4-9,11H,1-3H3"	"ZEIDWBCHBLXKBJ-UHFFFAOYSA-N"	FALSE	FALSE	620	3	4
"368-53-6"	"DTXSID4073170"	"1,3-Benzeneamine, 5-[(trifluoromethyl)-"	"EPA_DSSTox"	"NC1=CC(=CC(N)=C1)C(F)(F)F"	"?"	"InChI=1S/C7H7F3N2/c8-7(9,10)4-1-5(11)3-6(12)2-4/h1-3H,11-12H2"	"KZSXRDLXTFEHJM-UHFFFAOYSA-N"	FALSE	FALSE	380	2	4
"3680-05-5"	NA	NA	"Public_CrossChecked"	"CS(=O)C(C)(C)C(O)=O"	"?"	"InChI=1S/C5H10O3S/c1-5(2,4(6)7)9(3)8/h1-3H3,(H,6,7)"	"HHHMVNNQYMVCJA-UHFFFAOYSA-N"	FALSE	TRUE	7500	4	5
"3681-71-8"	"DTXSID0041484"	"(3Z)-3-Hexenyl acetate"	"EPA_DSSTox"	"CCC=CCCOC(C)=O"	"?"	"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3"	"NPFVOOAXDOBMCE-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"3683-12-3"	"DTXSID7063134"	"2-Phenylethyl methacrylate"	"EPA_DSSTox"	"CC(=C)C(=O)OCCC1C=CC=CC=1"	"?"	"InChI=1S/C12H14O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3"	"ILZXXGLGJZQLTR-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3685-84-5"	"DTXSID8045141"	"Meclofenoxate hydrochloride"	"EPA_DSSTox"	"CN(C)CCOC(=O)COC1C=CC(Cl)=CC=1"	"Cl"	"InChI=1S/C12H16ClNO3/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11/h3-6H,7-9H2,1-2H3"	"XZTYGFHCIAKPGJ-UHFFFAOYSA-N"	FALSE	FALSE	865	3	4
"3687-13-6"	"DTXSID20190351"	"Phenol, 2,4-dichloro-, methanesulfonate"	"EPA_DSSTox"	"CS(=O)(=O)OC1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C7H6Cl2O3S/c1-13(10,11)12-7-3-2-5(8)4-6(7)9/h2-4H,1H3"	"HWTBOKMYXXIASI-UHFFFAOYSA-N"	FALSE	TRUE	2793	3	5
"3687-16-9"	NA	NA	"Public_CrossChecked"	"CC(N)(CNCC(CCCC)CC)CNCC(CCCC)CC"	"?"	"InChI=1S/C20H45N3/c1-6-10-12-18(8-3)14-22-16-20(5,21)17-23-15-19(9-4)13-11-7-2/h18-19,22-23H,6-17,21H2,1-5H3"	"STNVDPRWLDHKCY-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"3688-65-1"	"DTXSID00190359"	"Codeine N-oxide"	"EPA_DSSTox"	"COC1C=CC2CC3C4C=CC(O)C5OC=1C=2C45CC[N+]3(C)[O-]"	"?"	"InChI=1S/C18H21NO4/c1-19(21)8-7-18-11-4-5-13(20)17(18)23-16-14(22-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3"	"BDLSDHWCOJPHIE-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"3688-66-2"	"DTXSID10190360"	"Nicocodine [INN:BAN:DCF]"	"EPA_DSSTox"	"COC1C=CC2CC3C4C=CC(OC(=O)C5C=NC=CC=5)C5OC=1C=2C45CCN3C"	"?"	"InChI=1S/C24H24N2O4/c1-26-11-9-24-16-6-8-19(29-23(27)15-4-3-10-25-13-15)22(24)30-21-18(28-2)7-5-14(20(21)24)12-17(16)26/h3-8,10,13,16-17,19,22H,9,11-12H2,1-2H3"	"RYBGRHAWFUVMST-UHFFFAOYSA-N"	FALSE	FALSE	840	3	4
"3688-85-5"	"DTXSID30190362"	"Diapamide"	"EPA_DSSTox"	"CNS(=O)(=O)C1C=C(C=CC=1Cl)C(=O)NC"	"?"	"InChI=1S/C9H11ClN2O3S/c1-11-9(13)6-3-4-7(10)8(5-6)16(14,15)12-2/h3-5,12H,1-2H3,(H,11,13)"	"REQFWARMBJWJAQ-UHFFFAOYSA-N"	FALSE	FALSE	1400	3	4
"36888-99-0"	"DTXSID7068007"	"2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5'-(1H-isoindole-1,3(2H)-diylidene)bis-"	"EPA_DSSTox"	"O=C1NC(=O)C(=C2NC(=C3C(=O)NC(=O)NC3=O)C3=CC=CC=C32)C(=O)N1"	"?"	"InChI=1S/C16H9N5O6/c22-11-7(12(23)19-15(26)18-11)9-5-3-1-2-4-6(5)10(17-9)8-13(24)20-16(27)21-14(8)25/h1-4,17H,(H2,18,19,22,23,26)(H2,20,21,24,25,27)"	"JSBMGPVJAADXIZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3689-24-5"	"DTXSID7024328"	"Sulfotepp"	"EPA_DSSTox"	"CCOP(=S)(OP(=S)(OCC)OCC)OCC"	"?"	"InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3"	"XIUROWKZWPIAIB-UHFFFAOYSA-N"	TRUE	FALSE	5	1	2
"36894-69-6"	"DTXSID2023191"	"Labetalol"	"EPA_DSSTox"	"CC(CCC1C=CC=CC=1)NCC(O)C1C=C(C(O)=CC=1)C(N)=O"	"?"	"InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)"	"SGUAFYQXFOLMHL-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"3691-78-9"	"DTXSID50190389"	"Benzethidine [INN:BAN:DCF]"	"EPA_DSSTox"	"CCOC(=O)C1(CCN(CCOCC2=CC=CC=C2)CC1)C1=CC=CC=C1"	"?"	"InChI=1S/C23H29NO3/c1-2-27-22(25)23(21-11-7-4-8-12-21)13-15-24(16-14-23)17-18-26-19-20-9-5-3-6-10-20/h3-12H,2,13-19H2,1H3"	"UVTBZAWTRVBTMK-UHFFFAOYSA-N"	FALSE	FALSE	284	2	3
"3692-18-0"	"DTXSID00190410"	"Urea, (1-methylcyclohexyl)-"	"EPA_DSSTox"	"CC1(CCCCC1)NC(N)=O"	"?"	"InChI=1S/C8H16N2O/c1-8(10-7(9)11)5-3-2-4-6-8/h2-6H2,1H3,(H3,9,10,11)"	"BDAOVJXWRKUWIE-UHFFFAOYSA-N"	FALSE	FALSE	1040	3	4
"3692-87-3"	"DTXSID80190413"	"De-N-methyldimethoate"	"EPA_DSSTox"	"COP(=S)(OC)SCC(N)=O"	"?"	"InChI=1S/C4H10NO3PS2/c1-7-9(10,8-2)11-3-4(5)6/h3H2,1-2H3,(H2,5,6)"	"GTMNIILYQLWCIB-UHFFFAOYSA-N"	FALSE	FALSE	925	3	4
"36951-85-6"	NA	NA	"Public_CrossChecked"	"OC1(C2C=CC=CC=2C2=NCCCN12)C1=CC(Cl)=C(Cl)C=C1"	"?"	"InChI=1S/C17H14Cl2N2O/c18-14-7-6-11(10-15(14)19)17(22)13-5-2-1-4-12(13)16-20-8-3-9-21(16)17/h1-2,4-7,10,22H,3,8-9H2"	"GFNMCJGABJMVFQ-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"3696-23-9"	"DTXSID00190455"	"Thourea, (4-chlorophenyl)- (9CI)"	"EPA_DSSTox"	"NC(=S)NC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C7H7ClN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)"	"XVEFWRUIYOXUGG-UHFFFAOYSA-N"	TRUE	FALSE	15	1	2
"36968-27-1"	"DTXSID6068014"	"2-Naphthalenecarboxamide, 4-[[4-(aminocarbonyl)phenyl]azo]-3-hydroxy-N-(2-methoxyphenyl)-"	"EPA_DSSTox"	"COC1C=CC=CC=1NC(=O)C1=CC2=CC=CC=C2C(N=NC2C=CC(=CC=2)C(N)=O)=C1O"	"?"	"InChI=1S/C25H20N4O4/c1-33-21-9-5-4-8-20(21)27-25(32)19-14-16-6-2-3-7-18(16)22(23(19)30)29-28-17-12-10-15(11-13-17)24(26)31/h2-14,30H,1H3,(H2,26,31)(H,27,32)"	"HULNYTPFPARJMG-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"36981-93-8"	NA	NA	"Public_CrossChecked"	"CC1(C)COC(CN1)C1C=CC=CC=1"	"?"	"InChI=1S/C12H17NO/c1-12(2)9-14-11(8-13-12)10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3"	"KJUOROGOOZJYAI-UHFFFAOYSA-N"	FALSE	FALSE	450	2	4
"3700-89-8"	"DTXSID20274246"	"O,O-Dimethyl malathion"	"EPA_DSSTox"	"COC(=O)C(CC(=O)OC)SP(=S)(OC)OC"	"?"	"InChI=1S/C8H15O6PS2/c1-11-7(9)5-6(8(10)12-2)17-15(16,13-3)14-4/h6H,5H2,1-4H3"	"GADZSMZOQMSZDT-UHFFFAOYSA-N"	FALSE	FALSE	1020	3	4
"3700-90-1"	NA	NA	"Public_CrossChecked"	"CC(C)OC(=O)C(CC(=O)OC(C)C)SP(=S)(OC)OC"	"?"	"InChI=1S/C12H23O6PS2/c1-8(2)17-11(13)7-10(12(14)18-9(3)4)21-19(20,15-5)16-6/h8-10H,7H2,1-6H3"	"FLQSJJQRPJGANI-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"3700-96-7"	NA	NA	"Public_CrossChecked"	"CC(C)OC(=O)C(CC(=O)OC(C)C)SP(=O)(OC)OC"	"?"	"InChI=1S/C12H23O7PS/c1-8(2)18-11(13)7-10(12(14)19-9(3)4)21-20(15,16-5)17-6/h8-10H,7H2,1-6H3"	"BFZWMSHWDNXYLW-UHFFFAOYSA-N"	FALSE	FALSE	120	2	3
"3700-97-8"	NA	NA	"Public_CrossChecked"	"CCCOC(=O)C(CC(=O)OCCC)SP(=O)(OC)OC"	"?"	"InChI=1S/C12H23O7PS/c1-5-7-18-11(13)9-10(12(14)19-8-6-2)21-20(15,16-3)17-4/h10H,5-9H2,1-4H3"	"BVFRJUUBFALDGN-UHFFFAOYSA-N"	FALSE	FALSE	360	2	4
"3700-98-9"	NA	NA	"Public_CrossChecked"	"CCCCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCCCC"	"?"	"InChI=1S/C14H27O7PS/c1-5-7-9-20-13(15)11-12(14(16)21-10-8-6-2)23-22(17,18-3)19-4/h12H,5-11H2,1-4H3"	"BBAFBNIWIFHJBM-UHFFFAOYSA-N"	FALSE	FALSE	515	3	4
"37027-11-5"	"DTXSID50190526"	"1H-Pyrazolecarboxamide, 5-methyl-N-(3-methylphenyl)-"	"EPA_DSSTox"	"CC1=CC(=NN1)C(=O)NC1=CC(C)=CC=C1"	"?"	"InChI=1S/C12H13N3O/c1-8-4-3-5-10(6-8)13-12(16)11-7-9(2)14-15-11/h3-7H,1-2H3,(H,13,16)(H,14,15)"	"XRRBDBBNWWVVSL-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"37027-12-6"	NA	NA	"Public_CrossChecked"	"CC1C=CC(=CC=1)NC(=O)C1C=C(C)NN=1"	"?"	"InChI=1S/C12H13N3O/c1-8-3-5-10(6-4-8)13-12(16)11-7-9(2)14-15-11/h3-7H,1-2H3,(H,13,16)(H,14,15)"	"HLDBUSVHBXZXGM-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"37027-56-8"	"DTXSID10190527"	"Decanoic acid, 10-chloro-"	"EPA_DSSTox"	"OC(=O)CCCCCCCCCCl"	"?"	"InChI=1S/C10H19ClO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-9H2,(H,12,13)"	"FEXSVCTUDASSOQ-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"371-44-8"	"DTXSID80190594"	"Acetamide, 2-fluoro-N-isobutyl-"	"EPA_DSSTox"	"CC(C)CNC(=O)CF"	"?"	"InChI=1S/C6H12FNO/c1-5(2)4-8-6(9)3-7/h5H,3-4H2,1-2H3,(H,8,9)"	"XUEZHSWVWDKYDA-UHFFFAOYSA-N"	TRUE	FALSE	42	1	2
"371-47-1"	"DTXSID5059901"	"2-Butenedioic acid (2Z)-, sodium salt (1:2)"	"EPA_DSSTox"	"OC(=O)C=CC(O)=O"	"[Na+].[Na+]"	"InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)"	"VZCYOOQTPOCHFL-UHFFFAOYSA-N"	FALSE	TRUE	3380	3	5
"371-62-0"	"DTXSID0059902"	"2-Fluoroethanol"	"EPA_DSSTox"	"OCCF"	"?"	"InChI=1S/C2H5FO/c3-1-2-4/h4H,1-2H2"	"GGDYAKVUZMZKRV-UHFFFAOYSA-N"	TRUE	FALSE	5	1	2
"3710-30-3"	"DTXSID6063147"	"1,7-Octadiene"	"EPA_DSSTox"	"C=CCCCCC=C"	"?"	"InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-8H2"	"XWJBRBSPAODJER-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"37106-97-1"	"DTXSID2048377"	"Bentiromide"	"EPA_DSSTox"	"OC(=O)C1C=CC(=CC=1)NC(=O)C(CC1C=CC(O)=CC=1)NC(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C23H20N2O5/c26-19-12-6-15(7-13-19)14-20(25-21(27)16-4-2-1-3-5-16)22(28)24-18-10-8-17(9-11-18)23(29)30/h1-13,20,26H,14H2,(H,24,28)(H,25,27)(H,29,30)"	"SPPTWHFVYKCNNK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"37106-99-3"	NA	NA	"Public_CrossChecked"	"CC1(O)C2CC3C(=C(O)C(C(=O)NCN4CCCC4C(O)=O)C(=O)C3(O)C(=O)C2C(=O)C2=C1C=CC=C2O)N(C)C"	"?"	"InChI=1S/C28H33N3O10/c1-27(40)12-6-4-8-16(32)17(12)21(33)18-13(27)10-14-20(30(2)3)22(34)19(24(36)28(14,41)23(18)35)25(37)29-11-31-9-5-7-15(31)26(38)39/h4,6,8,13-15,18-19,32,34,40-41H,5,7,9-11H2,1-3H3,(H,29,37)(H,38,39)"	"SGXSKFLDBLBWJT-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"3715-90-0"	NA	NA	"Public_CrossChecked"	"C1CN=C(NC2C=CC=C3CCCCC3=2)N1"	"Cl"	"InChI=1S/C13H17N3/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13/h3,5,7H,1-2,4,6,8-9H2,(H2,14,15,16)"	"QQJLHRRUATVHED-UHFFFAOYSA-N"	FALSE	FALSE	190	2	3
"37172-05-7"	"DTXSID00865853"	"Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)-, 1-acetate"	"EPA_DSSTox"	"CC(CC)C1CCCCC1(C#C)OC(C)=O"	"?"	"InChI=1S/C14H22O2/c1-5-11(3)13-9-7-8-10-14(13,6-2)16-12(4)15/h2,11,13H,5,7-10H2,1,3-4H3"	"PKVIIPGIGKYQFI-UHFFFAOYSA-N"	FALSE	FALSE	680	3	4
"371756-75-1"	"DTXSID00721889"	"Hexasodium 2,2'-{ethene-1,2-diylbis[(3-sulfonato-4,1-phenylene)azanediyl{6-[bis(2-hydroxypropyl)amino]-1,3,5-triazine-4,2-diyl}azanediyl]}di(benzene-1,4-disulfonate)"	"EPA_DSSTox"	"CC(O)CN(CC(C)O)C1N=C(NC2=CC(=CC=C2S(O)(=O)=O)S(O)(=O)=O)N=C(NC2C=C(C(C=CC3C=CC(=CC=3S(O)(=O)=O)NC3=NC(=NC(NC4C=C(C=CC=4S(O)(=O)=O)S(O)(=O)=O)=N3)N(CC(C)O)CC(C)O)=CC=2)S(O)(=O)=O)N=1"	"[Na+].[Na+].[Na+].[Na+]"	"InChI=1S/C44H52N12O22S6/c1-23(57)19-55(20-24(2)58)43-51-39(49-41(53-43)47-33-17-31(79(61,62)63)11-13-35(33)81(67,68)69)45-29-9-7-27(37(15-29)83(73,74)75)5-6-28-8-10-30(16-38(28)84(76,77)78)46-40-50-42(54-44(52-40)56(21-25(3)59)22-26(4)60)48-34-18-32(80(64,65)66)12-14-36(34)82(70,71)72/h5-18,23-26,57-60H,19-22H2,1-4H3,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H2,45,47,49,51,53)(H2,46,48,50,52,54)"	"GGZZBXBLEDKGIP-UHFFFAOYSA-N"	FALSE	TRUE	12080	4	5
"372-09-8"	"DTXSID0027149"	"Cyanoacetic acid"	"EPA_DSSTox"	"N#CCC(O)=O"	"?"	"InChI=1S/C3H3NO2/c4-2-1-3(5)6/h1H2,(H,5,6)"	"MLIREBYILWEBDM-UHFFFAOYSA-N"	FALSE	FALSE	1010	3	4
"372-77-0"	"DTXSID20190694"	"Acetic acid, fluoro-, ethylene ester"	"EPA_DSSTox"	"O=C(CF)OCCOC(=O)CF"	"?"	"InChI=1S/C6H8F2O4/c7-3-5(9)11-1-2-12-6(10)4-8/h1-4H2"	"QNUCSQIOPQLZPK-UHFFFAOYSA-N"	TRUE	FALSE	2.2	1	1
"37205-87-1"	NA	NA	"Public_CrossChecked"	"CCOC1=CC=C(CCCCCCC(C)C)C=C1"	"?"	"InChI=1S/C17H28O/c1-4-18-17-13-11-16(12-14-17)10-8-6-5-7-9-15(2)3/h11-15H,4-10H2,1-3H3"	"IRTXCPKNZUZNMH-UHFFFAOYSA-N"	FALSE	TRUE	5600	4	5
"37248-47-8"	"DTXSID4058073"	"Validamycin"	"EPA_DSSTox"	"OC1C(CO)OC(OC2C(CC(NC3C=C(CO)C(O)C(O)C3O)C(O)C2O)CO)C(O)C1O"	"?"	"InChI=1S/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20/h1,7-32H,2-5H2"	"JARYYMUOCXVXNK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3726-36-1"	NA	NA	"Public_CrossChecked"	"CC1CC(C)C(C)C(C)C1"	"?"	"InChI=1S/C10H20/c1-7-5-8(2)10(4)9(3)6-7/h7-10H,5-6H2,1-4H3"	"HLPYGMSCWOQRJN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"37280-56-1"	"DTXSID8048604"	"Leucomycin tartrate"	"EPA_DSSTox"	"CC(C)CC(=O)OC1C(C)OC(CC1(C)O)OC1C(C(O)C(OC1C)OC1C(OC)C(O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC1CC=O)N(C)C |c:43|"	"C(C(C(=O)O)O)(C(=O)O)O"	"InChI=1S/C40H67NO14/c1-22(2)18-30(45)53-38-26(6)51-32(21-40(38,7)48)54-35-25(5)52-39(34(47)33(35)41(8)9)55-36-27(16-17-42)19-23(3)28(43)15-13-11-12-14-24(4)50-31(46)20-29(44)37(36)49-10/h11-13,15,17,22-29,32-39,43-44,47-48H,14,16,18-21H2,1-10H3/b12-11?,15-13-"	"IEMDOFXTVAPVLX-JCBGKFGDSA-N"	FALSE	TRUE	6992	4	5
"37286-92-3"	NA	NA	"Public_CrossChecked"	"OC1C2C=CC=CC=2CCC2C=CN=CC=21"	"?"	"InChI=1S/C14H13NO/c16-14-12-4-2-1-3-10(12)5-6-11-7-8-15-9-13(11)14/h1-4,7-9,14,16H,5-6H2"	"QKFXTKYWOCKZFP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"37296-80-3"	"DTXSID40190737"	"Colestipol hydrochloride [USAN:USP]"	"EPA_DSSTox"	"NCCNCCNCCNCCN"	"Cl"	"InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2"	"FAGUFWYHJQFNRV-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"3730-54-9"	NA	NA	"Public_CrossChecked"	"CC(=O)C(C(=O)OCC)P(=O)(OCC)OCC"	"?"	"InChI=1S/C10H19O6P/c1-5-14-10(12)9(8(4)11)17(13,15-6-2)16-7-3/h9H,5-7H2,1-4H3"	"MKJASEJKPLYLRF-UHFFFAOYSA-N"	FALSE	FALSE	176	2	3
"3733-84-4"	NA	NA	"Public_CrossChecked"	"CCOP(=S)(OC(C)C)ON1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C13H16NO5PS/c1-4-17-20(21,18-9(2)3)19-14-12(15)10-7-5-6-8-11(10)13(14)16/h5-9H,4H2,1-3H3"	"IXLQATCUQZJKGG-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"37335-68-5"	"DTXSID3034323"	"Alkyl* dimethyl ethylbenzyl ammonium cyclohexylsulfamate *(50%C12, 30%C14, 17%C16, 3%C18)"	"EPA_DSSTox"	"C[N+](C)(CC1C=CC(CC)=CC=1)CCCCCCCCCCCC"	"S(=O)(=O)(NC1CCCCC1)[O-]"	"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"	FALSE	FALSE	700	3	4
"3734-16-5"	NA	NA	"Public_CrossChecked"	"CCC(=O)OC1(CCN(C)C1C)C1C=CC=CC=1"	"Cl"	"InChI=1S/C15H21NO2/c1-4-14(17)18-15(10-11-16(3)12(15)2)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3"	"LUKSBMJXPCFBKO-UHFFFAOYSA-N"	FALSE	FALSE	253	2	3
"3734-17-6"	NA	NA	"Public_CrossChecked"	"CCC(=O)OC1(CCN(C)C1C)C1C=CC=CC=1"	"?"	"InChI=1S/C15H21NO2/c1-4-14(17)18-15(10-11-16(3)12(15)2)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3"	"LUKSBMJXPCFBKO-UHFFFAOYSA-N"	FALSE	FALSE	253	2	3
"3734-92-7"	"DTXSID70190785"	"AI 3-25706"	"EPA_DSSTox"	"CCOP(=O)(OCC)SCN1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C13H16NO5PS/c1-3-18-20(17,19-4-2)21-9-14-12(15)10-7-5-6-8-11(10)13(14)16/h5-8H,3-4,9H2,1-2H3"	"REXZMTNLSRBELZ-UHFFFAOYSA-N"	TRUE	FALSE	11	1	2
"3734-95-0"	"DTXSID5041807"	"Cyanthoate"	"EPA_DSSTox"	"CC(C)(C#N)NC(=O)CSP(=O)(OCC)OCC"	"?"	"InChI=1S/C10H19N2O4PS/c1-5-15-17(14,16-6-2)18-7-9(13)12-10(3,4)8-11/h5-7H2,1-4H3,(H,12,13)"	"TWDJIKFUVRYBJF-UHFFFAOYSA-N"	TRUE	FALSE	3.5	1	1
"3735-01-1"	"DTXSID00190793"	"Aminoparathion"	"EPA_DSSTox"	"CCOP(=S)(OC1C=CC(N)=CC=1)OCC"	"?"	"InChI=1S/C10H16NO3PS/c1-3-12-15(16,13-4-2)14-10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3"	"XIZOTXGJXSTQDI-UHFFFAOYSA-N"	FALSE	FALSE	450	2	4
"3735-23-7"	"DTXSID6042153"	"Methyl phenkapton"	"EPA_DSSTox"	"COP(=S)(OC)SCSC1C=C(Cl)C=CC=1Cl"	"?"	"InChI=1S/C9H11Cl2O2PS3/c1-12-14(15,13-2)17-6-16-9-5-7(10)3-4-8(9)11/h3-5H,6H2,1-2H3"	"IHCHKPCNDMQWGF-UHFFFAOYSA-N"	FALSE	FALSE	220	2	3
"3735-33-9"	"DTXSID6042286"	"Phosmetoxon"	"EPA_DSSTox"	"COP(=O)(OC)SCN1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C11H12NO5PS/c1-16-18(15,17-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3"	"BEMXOWRVWRNPPL-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"3735-90-8"	"DTXSID80190796"	"Phencarbamide"	"EPA_DSSTox"	"CCN(CCSC(=O)N(C1C=CC=CC=1)C1C=CC=CC=1)CC"	"?"	"InChI=1S/C19H24N2OS/c1-3-20(4-2)15-16-23-19(22)21(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3"	"BZGIPVGCJGXQTA-UHFFFAOYSA-N"	FALSE	FALSE	370	2	4
"3736-92-3"	"DTXSID90190808"	"G 25671"	"EPA_DSSTox"	"O=C1C(CCSC2C=CC=CC=2)C(=O)N(C2C=CC=CC=2)N1C1C=CC=CC=1"	"?"	"InChI=1S/C23H20N2O2S/c26-22-21(16-17-28-20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2"	"PLGXGMUJUXKCDD-UHFFFAOYSA-N"	FALSE	FALSE	450	2	4
"3737-09-5"	"DTXSID1045536"	"Disopyramide"	"EPA_DSSTox"	"CC(C)N(CCC(C(N)=O)(C1C=CC=CN=1)C1C=CC=CC=1)C(C)C"	"?"	"InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)"	"UVTNFZQICZKOEM-UHFFFAOYSA-N"	FALSE	FALSE	333	2	4
"3737-41-5"	"DTXSID7041461"	"3,3,4,4-Tetrachlorotetrahydrothiophene 1,1-dioxide"	"EPA_DSSTox"	"O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1"	"?"	"InChI=1S/C4H4Cl4O2S/c5-3(6)1-11(9,10)2-4(3,7)8/h1-2H2"	"GCAXGCSCRRVVLF-UHFFFAOYSA-N"	FALSE	FALSE	87	2	3
"37385-92-5"	"DTXSID10190820"	"2H-Benzimidazol-2-one, 1,3-dihydro-5-chloro-1-methyl-3-phenyl-"	"EPA_DSSTox"	"CN1C(=O)N(C2C=C(Cl)C=CC1=2)C1C=CC=CC=1"	"?"	"InChI=1S/C14H11ClN2O/c1-16-12-8-7-10(15)9-13(12)17(14(16)18)11-5-3-2-4-6-11/h2-9H,1H3"	"SGKDZYXVYGIVQP-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"37389-71-2"	"DTXSID50190824"	"4(3H)-Quinazolinone, 2-(1-methylethyl)-3-(4-pyridinyl)-"	"EPA_DSSTox"	"CC(C)C1=NC2C=CC=CC=2C(=O)N1C1C=CN=CC=1"	"?"	"InChI=1S/C16H15N3O/c1-11(2)15-18-14-6-4-3-5-13(14)16(20)19(15)12-7-9-17-10-8-12/h3-11H,1-2H3"	"AVQUANDWSGLIIP-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"3741-80-8"	"DTXSID1041394"	"2-Benzothiazolesulfenamide, N-(2-benzothiazolylthio)-N-(1,1-dimethylethyl)-"	"EPA_DSSTox"	"CC(C)(C)N(SC1=NC2C=CC=CC=2S1)SC1=NC2C=CC=CC=2S1"	"?"	"InChI=1S/C18H17N3S4/c1-18(2,3)21(24-16-19-12-8-4-6-10-14(12)22-16)25-17-20-13-9-5-7-11-15(13)23-17/h4-11H,1-3H3"	"VILGDADBAQFRJE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"37430-50-5"	"DTXSID00190879"	"Carbamic acid, methyl((trichloromethyl)thio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester"	"EPA_DSSTox"	"CC1(C)CC2=CC=CC(OC(=O)N(C)SC(Cl)(Cl)Cl)=C2O1"	"?"	"InChI=1S/C13H14Cl3NO3S/c1-12(2)7-8-5-4-6-9(10(8)20-12)19-11(18)17(3)21-13(14,15)16/h4-6H,7H2,1-3H3"	"NAQCLINQVRDCES-UHFFFAOYSA-N"	FALSE	FALSE	125	2	3
"37441-29-5"	"DTXSID20190891"	"5-Amino-2,4,6-triiodoisophthaloyl dichloride"	"EPA_DSSTox"	"NC1C(I)=C(C(I)=C(C=1I)C(=O)Cl)C(=O)Cl"	"?"	"InChI=1S/C8H2Cl2I3NO2/c9-7(15)1-3(11)2(8(10)16)5(13)6(14)4(1)12/h14H2"	"FBJVWRITWDYUAC-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"374726-62-2"	"DTXSID4058075"	"Mandipropamid"	"EPA_DSSTox"	"COC1=CC(CCNC(=O)C(OCC#C)C2C=CC(Cl)=CC=2)=CC=C1OCC#C"	"?"	"InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)"	"KWLVWJPJKJMCSH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3748-13-8"	"DTXSID7027546"	"1,3-Diisopropenylbenzene"	"EPA_DSSTox"	"CC(=C)C1C=C(C=CC=1)C(C)=C"	"?"	"InChI=1S/C12H14/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-8H,1,3H2,2,4H3"	"IBVPVTPPYGGAEL-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"375-34-8"	"DTXSID70190947"	"Butane, 2,2,3,3-tetrachlorohexafluoro-"	"EPA_DSSTox"	"FC(F)(F)C(Cl)(Cl)C(Cl)(Cl)C(F)(F)F"	"?"	"InChI=1S/C4Cl4F6/c5-1(6,3(9,10)11)2(7,8)4(12,13)14"	"BZBLUUDREZEDDJ-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"375-45-1"	"DTXSID40339866"	"1,2,3,4-Tetrachloro-1,1,2,3,4,4-hexafluorobutane"	"EPA_DSSTox"	"FC(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(F)Cl"	"?"	"InChI=1S/C4Cl4F6/c5-1(9,3(7,11)12)2(6,10)4(8,13)14"	"IRHYACQPDDXBCB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"375-73-5"	"DTXSID5030030"	"1-Perfluorobutanesulfonic acid"	"EPA_DSSTox"	"OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(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"	FALSE	FALSE	430	2	4
"3753-18-2"	"DTXSID60364039"	"4,4'-Bis(methoxymethyl)-1,1'-biphenyl"	"EPA_DSSTox"	"COCC1C=CC(=CC=1)C1C=CC(COC)=CC=1"	"?"	"InChI=1S/C16H18O2/c1-17-11-13-3-7-15(8-4-13)16-9-5-14(6-10-16)12-18-2/h3-10H,11-12H2,1-2H3"	"MODAACUAXYPNJH-UHFFFAOYSA-N"	FALSE	FALSE	1366	3	4
"37565-85-8"	NA	NA	"Public_CrossChecked"	"COP(=S)(OC)C(C(O)=O)C1C=CC=CC=1"	"?"	"InChI=1S/C10H13O4PS/c1-13-15(16,14-2)9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,11,12)"	"OYGXJBSFHHOHQS-UHFFFAOYSA-N"	FALSE	TRUE	4500	3	5
"37577-24-5"	"DTXSID60191009"	"Levofenfluramine"	"EPA_DSSTox"	"CCNC(C)CC1C=C(C=CC=1)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"	FALSE	FALSE	195	2	3
"376-18-1"	"DTXSID3059923"	"1-Nonanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-"	"EPA_DSSTox"	"OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F"	"?"	"InChI=1S/C9H4F16O/c10-2(11)4(14,15)6(18,19)8(22,23)9(24,25)7(20,21)5(16,17)3(12,13)1-26/h2,26H,1H2"	"MSXVQELLSMPBFD-UHFFFAOYSA-N"	FALSE	TRUE	4400	3	5
"376-53-4"	"DTXSID30191036"	"Adiponitrile, perfluoro"	"EPA_DSSTox"	"N#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C#N"	"?"	"InChI=1S/C6F8N2/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16"	"PZIVXXORSILYOQ-UHFFFAOYSA-N"	FALSE	TRUE	2917	3	5
"376-72-7"	"DTXSID50191038"	"Octafluoropentanoic acid"	"EPA_DSSTox"	"OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F"	"?"	"InChI=1S/C5H2F8O2/c6-1(7)3(8,9)5(12,13)4(10,11)2(14)15/h1H,(H,14,15)"	"VGFKXVSMDOKOJZ-UHFFFAOYSA-N"	FALSE	FALSE	1760	3	4
"376-90-9"	"DTXSID3059927"	"1,5-Pentanediol, 2,2,3,3,4,4-hexafluoro-"	"EPA_DSSTox"	"OCC(F)(F)C(F)(F)C(F)(F)CO"	"?"	"InChI=1S/C5H6F6O2/c6-3(7,1-12)5(10,11)4(8,9)2-13/h12-13H,1-2H2"	"IELVMUPSWDZWSD-UHFFFAOYSA-N"	FALSE	FALSE	1780	3	4
"3761-42-0"	"DTXSID6041975"	"Fenthion sulfone"	"EPA_DSSTox"	"CC1C=C(C=CC=1S(C)(=O)=O)OP(=S)(OC)OC"	"?"	"InChI=1S/C10H15O5PS2/c1-8-7-9(15-16(17,13-2)14-3)5-6-10(8)18(4,11)12/h5-7H,1-4H3"	"ZDHYERRNXRANLI-UHFFFAOYSA-N"	FALSE	FALSE	125	2	3
"3761-53-3"	"DTXSID8021228"	"Ponceau MX"	"EPA_DSSTox"	"CC1C=CC(N=NC2C3C=C(C=CC=3C=C(C=2O)S(O)(=O)=O)S(O)(=O)=O)=C(C)C=1"	"[Na+].[Na+]"	"InChI=1S/C18H16N2O7S2/c1-10-3-6-15(11(2)7-10)19-20-17-14-9-13(28(22,23)24)5-4-12(14)8-16(18(17)21)29(25,26)27/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27)"	"MEDGNBQSFKMHGA-UHFFFAOYSA-N"	FALSE	TRUE	23160	4	5
"3763-77-7"	"DTXSID80191066"	"Quinoline, 1,2-dihydro-6-ethoxy-2,2,4-trimethyl-, sulfate (1:1)"	"EPA_DSSTox"	"CC1=CC(C)(C)NC2C=CC(=CC1=2)OCC"	"S(O)(O)(=O)=O"	"InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3"	"DECIPOUIJURFOJ-UHFFFAOYSA-N"	FALSE	TRUE	3580	3	5
"3765-86-4"	"DTXSID90191077"	"Benzimidazole, 5-iodo-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1NC2C=C(I)C=CC=2N=1"	"?"	"InChI=1S/C8H4F3IN2/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7/h1-3H,(H,13,14)"	"VWPQFAPZLPFZDE-UHFFFAOYSA-N"	FALSE	FALSE	96	2	3
"3766-27-6"	"DTXSID1041348"	"2,4-D lithium salt"	"EPA_DSSTox"	"OC(=O)COC1C=CC(Cl)=CC=1Cl"	"[Li+]"	"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"	FALSE	FALSE	850	3	4
"3766-60-7"	"DTXSID5041699"	"Buturon"	"EPA_DSSTox"	"CC(C#C)N(C)C(=O)NC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C12H13ClN2O/c1-4-9(2)15(3)12(16)14-11-7-5-10(13)6-8-11/h1,5-9H,2-3H3,(H,14,16)"	"BYYMILHAKOURNM-UHFFFAOYSA-N"	FALSE	FALSE	1791	3	4
"3766-81-2"	"DTXSID4058077"	"Fenobucarb"	"EPA_DSSTox"	"CCC(C)C1=CC=CC=C1OC(=O)NC"	"?"	"InChI=1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)"	"DIRFUJHNVNOBMY-UHFFFAOYSA-N"	FALSE	FALSE	350	2	4
"376608-71-8"	"DTXSID60433193"	"(2R)-Hydroxy(phenyl)acetic acid--(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine (1/1)"	"EPA_DSSTox"	"NC1CC1C1C=CC(F)=C(F)C=1"	"O[C@H](C1=CC=CC=C1)C(O)=O"	"InChI=1S/C9H9F2N/c10-7-2-1-5(3-8(7)11)6-4-9(6)12/h1-3,6,9H,4,12H2"	"QVUBIQNXHRPJKK-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"37686-84-3"	"DTXSID3045809"	"Terguride"	"EPA_DSSTox"	"CN1CC(CC2C1CC1=CNC3C=CC=C2C=31)NC(=O)N(CC)CC"	"?"	"InChI=1S/C20H28N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)"	"JOAHPSVPXZTVEP-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"3770-97-6"	"DTXSID9052052"	"6-Diazo-5,6-dihydro-5-oxonaphthalene-2-sulphonyl chloride"	"EPA_DSSTox"	"C=S(=C)(Cl)C1C=CC=C2C(=O)C(C=CC=12)=[N+]=N"	"?"	"InChI=1S/C12H10ClN2OS/c1-17(2,13)11-5-3-4-9-8(11)6-7-10(15-14)12(9)16/h3-7,14H,1-2H2/q+1"	"CRGUNQGFWIJOQL-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"3771-19-5"	"DTXSID8020911"	"Nafenopin"	"EPA_DSSTox"	"CC(C)(OC1C=CC(=CC=1)C1CCCC2C=CC=CC=21)C(O)=O"	"?"	"InChI=1S/C20H22O3/c1-20(2,19(21)22)23-16-12-10-15(11-13-16)18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-13,18H,5,7,9H2,1-2H3,(H,21,22)"	"XJGBDJOMWKAZJS-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"3772-23-4"	"DTXSID30191152"	"2,4-Xylenol, 6,6'-butylidenebis-"	"EPA_DSSTox"	"CC1C=C(C)C(O)=C(CCCCC2C=C(C)C=C(C)C=2O)C=1"	"?"	"InChI=1S/C20H26O2/c1-13-9-15(3)19(21)17(11-13)7-5-6-8-18-12-14(2)10-16(4)20(18)22/h9-12,21-22H,5-8H2,1-4H3"	"WIDWYXNFFSBCFM-UHFFFAOYSA-N"	FALSE	TRUE	5500	4	5
"3772-26-7"	"DTXSID2063183"	"2-Pyrrolidinone, 1-(1-methylethyl)-"	"EPA_DSSTox"	"CC(C)N1CCCC1=O"	"?"	"InChI=1S/C7H13NO/c1-6(2)8-5-3-4-7(8)9/h6H,3-5H2,1-2H3"	"GHELJWBGTIKZQW-UHFFFAOYSA-N"	FALSE	TRUE	2900	3	5
"3772-48-3"	"DTXSID10191155"	"Phosphorodithioic acid, O,O-diethyl S-(2-((methylcarbamoyl)methylthio)ethyl) ester"	"EPA_DSSTox"	"CNC(=O)CSCCSP(=S)(OCC)OCC"	"?"	"InChI=1S/C9H20NO3PS3/c1-4-12-14(15,13-5-2)17-7-6-16-8-9(11)10-3/h4-8H2,1-3H3,(H,10,11)"	"HHNUWUVKGZCEAX-UHFFFAOYSA-N"	TRUE	FALSE	18	1	2
"37728-15-7"	"DTXSID60191165"	"Methanone, (2,3-dihydroxyphenyl)(3,4-dihydroxyphenyl)-"	"EPA_DSSTox"	"OC1C=C(C=CC=1O)C(=O)C1C=CC=C(O)C=1O"	"?"	"InChI=1S/C13H10O5/c14-9-5-4-7(6-11(9)16)12(17)8-2-1-3-10(15)13(8)18/h1-6,14-16,18H"	"YLVRFHDJLAVISP-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"3773-49-7"	"DTXSID6042159"	"Milneb"	"EPA_DSSTox"	"CC1NC(C)N(CCN2C(C)NC(C)SC2=S)C(=S)S1"	"?"	"InChI=1S/C12H22N4S4/c1-7-13-9(3)19-11(17)15(7)5-6-16-8(2)14-10(4)20-12(16)18/h7-10,13-14H,5-6H2,1-4H3"	"JZFICWYCTCCINF-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"37764-25-3"	"DTXSID4027997"	"Dichlormid"	"EPA_DSSTox"	"C=CCN(CC=C)C(=O)C(Cl)Cl"	"?"	"InChI=1S/C8H11Cl2NO/c1-3-5-11(6-4-2)8(12)7(9)10/h3-4,7H,1-2,5-6H2"	"YRMLFORXOOIJDR-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"3778-73-2"	"DTXSID7020760"	"Ifosfamide"	"EPA_DSSTox"	"O=P1(NCCCl)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"	FALSE	FALSE	143	2	3
"3778-76-5"	"DTXSID4044664"	"Todralazine hydrochloride"	"EPA_DSSTox"	"CCOC(=O)NNC1N=NC=C2C=CC=CC2=1"	"Cl"	"InChI=1S/C11H12N4O2/c1-2-17-11(16)15-14-10-9-6-4-3-5-8(9)7-12-13-10/h3-7H,2H2,1H3,(H,13,14)(H,15,16)"	"WGZDBVOTUVNQFP-UHFFFAOYSA-N"	FALSE	FALSE	598	3	4
"37795-69-0"	"DTXSID00191240"	"2,3-Dihydro-9H-isoxazolo(3,2-b)quinazolin-9-one"	"EPA_DSSTox"	"O=C1C2C=CC=CC=2N=C2CCON21"	"?"	"InChI=1S/C10H8N2O2/c13-10-7-3-1-2-4-8(7)11-9-5-6-14-12(9)10/h1-4H,5-6H2"	"ZHIKRYZUZNUZFQ-UHFFFAOYSA-N"	FALSE	FALSE	395	2	4
"37795-71-4"	"DTXSID80885690"	"9H-Isoxazolo[3,2-b]quinazolin-9-one, 2,3-dihydro-3-methyl-"	"EPA_DSSTox"	"CC1CON2C(=O)C3C=CC=CC=3N=C21"	"?"	"InChI=1S/C11H10N2O2/c1-7-6-15-13-10(7)12-9-5-3-2-4-8(9)11(13)14/h2-5,7H,6H2,1H3"	"FASHSDVYBORDDB-UHFFFAOYSA-N"	FALSE	FALSE	765	3	4
"3781-28-0"	"DTXSID50191250"	"Propyperone"	"EPA_DSSTox"	"CCC(=O)C1(CCN(CCCC(=O)C2C=CC(F)=CC=2)CC1)N1CCCCC1"	"?"	"InChI=1S/C23H33FN2O2/c1-2-22(28)23(26-15-4-3-5-16-26)12-17-25(18-13-23)14-6-7-21(27)19-8-10-20(24)11-9-19/h8-11H,2-7,12-18H2,1H3"	"JMIUUTJADPMZTQ-UHFFFAOYSA-N"	FALSE	FALSE	780	3	4
"3784-99-4"	NA	NA	"Public_CrossChecked"	"CC[N+]1C(/C=C/C2C=CC(=CC=2)N2CCCC2)=CC=CC=1/C=C/C1C=CC(=CC=1)N1CCCC1"	"[I-]"	"InChI=1S/C31H36N3/c1-2-34-30(20-14-26-10-16-28(17-11-26)32-22-3-4-23-32)8-7-9-31(34)21-15-27-12-18-29(19-13-27)33-24-5-6-25-33/h7-21H,2-6,22-25H2,1H3/q+1"	"HQXWVXPBRCYGGM-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"37853-05-7"	"DTXSID70191292"	"5-Isoxazolamine, 3-(2-thienyl)-, monohydrochloride"	"EPA_DSSTox"	"NC1=CC(=NO1)C1=CC=CS1"	"Cl"	"InChI=1S/C7H6N2OS/c8-7-4-5(9-10-7)6-2-1-3-11-6/h1-4H,8H2"	"ZXTCNNQAVDHZHL-UHFFFAOYSA-N"	FALSE	FALSE	1850	3	4
"37872-62-1"	"DTXSID80191304"	"4,4'-Diaminodicyclohexylmethane carbonate"	"EPA_DSSTox"	"NC1CCC(CC2CCC(N)CC2)CC1"	"OC(O)=O"	"InChI=1S/C13H26N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h10-13H,1-9,14-15H2"	"DZIHTWJGPDVSGE-UHFFFAOYSA-N"	FALSE	FALSE	1750	3	4
"3789-78-4"	NA	NA	"Public_CrossChecked"	"CC(=O)C1=CC(=CC=C1)N=NC1C=CC(=CC=1)N(C)C"	"?"	"InChI=1S/C16H17N3O/c1-12(20)13-5-4-6-15(11-13)18-17-14-7-9-16(10-8-14)19(2)3/h4-11H,1-3H3"	"NXWXQKSMPANXPG-UHFFFAOYSA-N"	FALSE	TRUE	4818	3	5
"37893-02-0"	"DTXSID4058079"	"Flubenzimine"	"EPA_DSSTox"	"FC(F)(F)N=C1C(=NC(F)(F)F)SC(=NC2C=CC=CC=2)N1C1C=CC=CC=1"	"?"	"InChI=1S/C17H10F6N4S/c18-16(19,20)25-13-14(26-17(21,22)23)28-15(24-11-7-3-1-4-8-11)27(13)12-9-5-2-6-10-12/h1-10H"	"IZFZCMFMJKDHJZ-UHFFFAOYSA-N"	FALSE	TRUE	2150	3	5
"37894-46-5"	"DTXSID1073494"	"2,5,7,10-Tetraoxa-6-silaundecane, 6-(2-chloroethyl)-6-(2-methoxyethoxy)-"	"EPA_DSSTox"	"COCCO[Si](CCCl)(OCCOC)OCCOC"	"?"	"InChI=1S/C11H25ClO6Si/c1-13-5-8-16-19(11-4-12,17-9-6-14-2)18-10-7-15-3/h4-11H2,1-3H3"	"SLZWEMYSYKOWCG-UHFFFAOYSA-N"	FALSE	FALSE	878	3	4
"3794-64-7"	"DTXSID70880199"	"Silver heptafluorobutyrate"	"EPA_DSSTox"	"OC(=O)C(F)(F)C(F)(F)C(F)(F)F"	"[Ag]"	"InChI=1S/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13)"	"YPJUNDFVDDCYIH-UHFFFAOYSA-N"	FALSE	TRUE	2140	3	5
"3794-83-0"	"DTXSID7029663"	"Phosphonic acid, (1-hydroxyethylidene)bis-, tetrasodium salt"	"EPA_DSSTox"	"CC(O)(P(O)(O)=O)P(O)(O)=O"	"[Na+].[Na+].[Na+].[Na+]"	"InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)"	"DBVJJBKOTRCVKF-UHFFFAOYSA-N"	FALSE	FALSE	990	3	4
"37971-36-1"	"DTXSID4027999"	"2-Phosphono-1,2,4-butanetricarboxylic acid"	"EPA_DSSTox"	"OC(=O)C(CC(O)=O)(CCC(O)=O)P(O)(O)=O"	"?"	"InChI=1S/C7H11O9P/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16)"	"SZHQPBJEOCHCKM-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"38006-08-5"	NA	NA	"Public_CrossChecked"	"COC1C=C(NS(=O)(=O)C2C=CC(N)=CC=2)N=CN=1"	"[Na+]"	"InChI=1S/C11H12N4O3S/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,14,15)"	"WMPXPUYPYQKQCX-UHFFFAOYSA-N"	FALSE	TRUE	5620	4	5
"38032-71-2"	NA	NA	"Public_CrossChecked"	"OCC1CCC2=CC(=CC=C21)C1CCCCC1"	"?"	"InChI=1S/C16H22O/c17-11-15-7-6-14-10-13(8-9-16(14)15)12-4-2-1-3-5-12/h8-10,12,15,17H,1-7,11H2"	"SSDXQJLLPQJSSU-UHFFFAOYSA-N"	FALSE	FALSE	295	2	3
"38032-72-3"	NA	NA	"Public_CrossChecked"	"OCC1CCC2=CC(=CC=C21)C1CCCCC1"	"?"	"InChI=1S/C16H22O/c17-11-15-7-6-14-10-13(8-9-16(14)15)12-4-2-1-3-5-12/h8-10,12,15,17H,1-7,11H2"	"SSDXQJLLPQJSSU-UHFFFAOYSA-N"	FALSE	FALSE	165	2	3
"38035-28-8"	NA	NA	"Public_CrossChecked"	"COc1ccc2c(=O)c(C)c(C)oc2c1CN(C)C"	"[Cl-]"	"InChI=1S/C15H19NO3/c1-9-10(2)19-15-11(14(9)17)6-7-13(18-5)12(15)8-16(3)4/h6-7H,8H2,1-5H3"	"HIUYLRVXBVDVRK-UHFFFAOYSA-N"	TRUE	FALSE	7.8	1	2
"3806-34-6"	"DTXSID2027549"	"2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-bis(octadecyloxy)-"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCCOP1OCC2(COP(OC2)OCCCCCCCCCCCCCCCCCC)CO1"	"?"	"InChI=1S/C41H82O6P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42-48-44-37-41(38-45-48)39-46-49(47-40-41)43-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3"	"PZRWFKGUFWPFID-UHFFFAOYSA-N"	FALSE	NA	NA	NA	NA
"38079-66-2"	"DTXSID60191488"	"L-Glutamic acid, N-(1-oxohexadecyl)-"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCC(=O)NC(CCC(O)=O)C(O)=O"	"?"	"InChI=1S/C21H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)22-18(21(26)27)16-17-20(24)25/h18H,2-17H2,1H3,(H,22,23)(H,24,25)(H,26,27)"	"KMAOMYOPEIRFLB-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"38082-89-2"	"DTXSID6068064"	"2,6-Pyridinediamine, 3,5-dinitro-N,N'-bis(2,4,6-trinitrophenyl)-"	"EPA_DSSTox"	"[O-][N+](=O)C1C=C(C(NC2N=C(NC3C(=CC(=CC=3[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)C(=CC=2[N+]([O-])=O)[N+]([O-])=O)=C(C=1)[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C17H7N11O16/c29-21(30)6-1-8(23(33)34)14(9(2-6)24(35)36)18-16-12(27(41)42)5-13(28(43)44)17(20-16)19-15-10(25(37)38)3-7(22(31)32)4-11(15)26(39)40/h1-5H,(H2,18,19,20)"	"YSSXHRVRZWIAKV-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"38083-17-9"	"DTXSID6046555"	"Climbazole"	"EPA_DSSTox"	"CC(C)(C)C(=O)C(OC1C=CC(Cl)=CC=1)N1C=NC=C1"	"?"	"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"	FALSE	FALSE	400	2	4
"3810-80-8"	"DTXSID3047843"	"Diphenoxylate hydrochloride"	"EPA_DSSTox"	"CCOC(=O)C1(CCN(CCC(C#N)(C2C=CC=CC=2)C2C=CC=CC=2)CC1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3"	"HYPPXZBJBPSRLK-UHFFFAOYSA-N"	FALSE	FALSE	221	2	3
"38104-47-1"	"DTXSID30191516"	"4H-1,2,4-Triazol-4-amine, phosphate"	"EPA_DSSTox"	"NN1C=NN=C1"	"P(O)(O)(O)=O"	"InChI=1S/C2H4N4/c3-6-1-4-5-2-6/h1-2H,3H2"	"FMCUPJKTGNBGEC-UHFFFAOYSA-N"	FALSE	TRUE	4800	3	5
"38109-77-2"	NA	NA	"Public_CrossChecked"	"CCOC(=O)C(C=N)C#N"	"?"	"InChI=1S/C6H8N2O2/c1-2-10-6(9)5(3-7)4-8/h3,5,7H,2H2,1H3"	"SEBWTSVLSWPBKR-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	NA
"3811-49-2"	"DTXSID7041885"	"Dioxabenzofos"	"EPA_DSSTox"	"COP1(=S)OCC2C=CC=CC=2O1"	"?"	"InChI=1S/C8H9O3PS/c1-9-12(13)10-6-7-4-2-3-5-8(7)11-12/h2-5H,6H2,1H3"	"OUNSASXJZHBGAI-UHFFFAOYSA-N"	FALSE	FALSE	102	2	3
"381209-09-2"	NA	NA	"Public_CrossChecked"	"CCC(CC1(CCCCC1)C(O)=O)CC"	"?"	"InChI=1S/C13H24O2/c1-3-11(4-2)10-13(12(14)15)8-6-5-7-9-13/h11H,3-10H2,1-2H3,(H,14,15)"	"XRKJBJLXKLOLKS-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"38160-03-1"	NA	NA	"Public_CrossChecked"	"CCOC1C=CC(=CC=1)N1CC(CC1=O)C(=O)N1CCNCC1"	"Cl"	"InChI=1S/C17H23N3O3/c1-2-23-15-5-3-14(4-6-15)20-12-13(11-16(20)21)17(22)19-9-7-18-8-10-19/h3-6,13,18H,2,7-12H2,1H3"	"XLMRKHPACLFOLT-UHFFFAOYSA-N"	FALSE	FALSE	550	3	4
"38168-64-8"	"DTXSID50191553"	"3-Azabicyclo(3.2.2)nonane, 3-(2-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)ethyl)-"	"EPA_DSSTox"	"CC1C=C(C=C2C=1NC(C)=C2CCN1CC2CCC(C1)CC2)OC"	"?"	"InChI=1S/C21H30N2O/c1-14-10-18(24-3)11-20-19(15(2)22-21(14)20)8-9-23-12-16-4-5-17(13-23)7-6-16/h10-11,16-17,22H,4-9,12-13H2,1-3H3"	"KUJWSCWRLKXFAM-UHFFFAOYSA-N"	FALSE	FALSE	787	3	4
"3817-11-6"	"DTXSID2020210"	"Butyl-N-(4-hydroxybutyl)nitrosamine"	"EPA_DSSTox"	"CCCCN(CCCCO)N=O"	"?"	"InChI=1S/C8H18N2O2/c1-2-3-6-10(9-12)7-4-5-8-11/h11H,2-8H2,1H3"	"DIKPQFXYECAYPC-UHFFFAOYSA-N"	FALSE	FALSE	1800	3	4
"38171-54-9"	"DTXSID50191558"	"Phenol, 3-amino-, sodium salt"	"EPA_DSSTox"	"NC1=CC(O)=CC=C1"	"[Na+]"	"InChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2"	"CWLKGDAVCFYWJK-UHFFFAOYSA-N"	FALSE	FALSE	1410	3	4
"3818-64-2"	"DTXSID40191562"	"2,3-Dimethyl-7-methoxy-8-(morpholinomethyl)chromone"	"EPA_DSSTox"	"COC1=CC=C2C(=O)C(C)=C(C)OC2=C1CN1CCOCC1"	"?"	"InChI=1S/C17H21NO4/c1-11-12(2)22-17-13(16(11)19)4-5-15(20-3)14(17)10-18-6-8-21-9-7-18/h4-5H,6-10H2,1-3H3"	"GJTMNUHTYIJXTJ-UHFFFAOYSA-N"	TRUE	FALSE	44	1	2
"3818-80-2"	NA	NA	"Public_CrossChecked"	"CC(C)OP(=S)(CCl)OP(=O)(OC(C)C)OC(C)C"	"?"	"InChI=1S/C10H23ClO5P2S/c1-8(2)13-17(19,7-11)16-18(12,14-9(3)4)15-10(5)6/h8-10H,7H2,1-6H3"	"BJVZHILYTYOYAW-UHFFFAOYSA-N"	TRUE	FALSE	18	1	2
"3818-88-0"	NA	NA	"Public_CrossChecked"	"C[N+]1(CCC(O)(C2CCCCC2)C2C=CC=CC=2)CCCC1"	"Cl"	"InChI=1S/C20H32NO/c1-21(15-8-9-16-21)17-14-20(22,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2,4-5,10-11,19,22H,3,6-9,12-17H2,1H3/q+1"	"FRBBPWXCRBHYJQ-UHFFFAOYSA-N"	FALSE	FALSE	984	3	4
"38188-83-9"	NA	NA	"Public_CrossChecked"	"CCOP(=S)(OCC)SC1COCCS1"	"?"	"InChI=1S/C8H17O3PS3/c1-3-10-12(13,11-4-2)15-8-7-9-5-6-14-8/h8H,3-7H2,1-2H3"	"DSSLOYDITKYOCI-UHFFFAOYSA-N"	TRUE	FALSE	3	1	1
"3819-07-6"	"DTXSID70191575"	"Urea, (1-ethylcyclopentyl)-"	"EPA_DSSTox"	"CCC1(CCCC1)NC(N)=O"	"?"	"InChI=1S/C8H16N2O/c1-2-8(10-7(9)11)5-3-4-6-8/h2-6H2,1H3,(H3,9,10,11)"	"ZVELGQJLEWIYHZ-UHFFFAOYSA-N"	FALSE	FALSE	950	3	4
"382-26-3"	"DTXSID40880146"	"1,1,1,3,3-Pentafluoro-3-methoxy-2-(trifluoromethyl)propane"	"EPA_DSSTox"	"COC(F)(F)C(C(F)(F)F)C(F)(F)F"	"?"	"InChI=1S/C5H4F8O/c1-14-5(12,13)2(3(6,7)8)4(9,10)11/h2H,1H3"	"AQHKYFLVHBIQMS-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"382-28-5"	"DTXSID7059933"	"Morpholine, 2,2,3,3,5,5,6,6-octafluoro-4-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F"	"?"	"InChI=1S/C5F11NO/c6-1(7)3(10,11)18-4(12,13)2(8,9)17(1)5(14,15)16"	"PQMAKJUXOOVROI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3820-53-9"	"DTXSID00191583"	"Phosphorothioic acid, O,O-dimethyl S-(p-nitrophenyl) ester"	"EPA_DSSTox"	"COP(=O)(OC)SC1C=CC(=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C8H10NO5PS/c1-13-15(12,14-2)16-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3"	"DHPZHUPSZPYWMB-UHFFFAOYSA-N"	TRUE	FALSE	42.9	1	2
"3820-67-5"	"DTXSID1048546"	"Glafenine"	"EPA_DSSTox"	"OCC(O)COC(=O)C1C=CC=CC=1NC1=CC=NC2C=C(Cl)C=CC=21"	"?"	"InChI=1S/C19H17ClN2O4/c20-12-5-6-14-17(7-8-21-18(14)9-12)22-16-4-2-1-3-15(16)19(25)26-11-13(24)10-23/h1-9,13,23-24H,10-11H2,(H,21,22)"	"GWOFUCIGLDBNKM-UHFFFAOYSA-N"	FALSE	TRUE	2300	3	5
"38205-64-0"	"DTXSID5068077"	"Thiazole, 5-methoxy-2-methyl-"	"EPA_DSSTox"	"CC1=NC=C(OC)S1"	"?"	"InChI=1S/C5H7NOS/c1-4-6-3-5(7-2)8-4/h3H,1-2H3"	"KNHWRHAKUZHDQP-UHFFFAOYSA-N"	FALSE	FALSE	1250	3	4
"38233-76-0"	NA	NA	"Public_CrossChecked"	"CC=C1CC2CC1C1C2C2CC1C=C2"	"?"	"InChI=1S/C14H18/c1-2-8-5-11-7-12(8)14-10-4-3-9(6-10)13(11)14/h2-4,9-14H,5-7H2,1H3"	"CSRQAJIMYJHHHQ-UHFFFAOYSA-N"	FALSE	FALSE	666	3	4
"38237-76-2"	"DTXSID40191628"	"4-Aminohexanoylphenone"	"EPA_DSSTox"	"CCCCCC(=O)C1C=CC(N)=CC=1"	"?"	"InChI=1S/C12H17NO/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9H,2-5,13H2,1H3"	"YDQJFPLRVSPPGE-UHFFFAOYSA-N"	FALSE	FALSE	216	2	3
"3825-26-1"	"DTXSID8037708"	"PFOA, ammonium salt"	"EPA_DSSTox"	"OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	"[NH4+]"	"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"	FALSE	FALSE	430	2	4
"38260-01-4"	"DTXSID2057863"	"Trientine hydrochloride"	"EPA_DSSTox"	"NCCNCCNCCN"	"Cl.Cl"	"InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2"	"VILCJCGEZXAXTO-UHFFFAOYSA-N"	FALSE	TRUE	2285	3	5
"38260-54-7"	"DTXSID7041964"	"Etrimfos"	"EPA_DSSTox"	"COP(=S)(OC1C=C(N=C(CC)N=1)OCC)OC"	"?"	"InChI=1S/C10H17N2O4PS/c1-5-8-11-9(15-6-2)7-10(12-8)16-17(18,13-3)14-4/h7H,5-6H2,1-4H3"	"FGIWFCGDPUIBEZ-UHFFFAOYSA-N"	FALSE	FALSE	1800	3	4
"38285-49-3"	"DTXSID4052057"	"3-O-Acetyl-1,5-anhydro-2-butyl-2,4-dideoxy-4-methylpentitol"	"EPA_DSSTox"	"CC1COCC(CCCC)C1OC(C)=O"	"?"	"InChI=1S/C12H22O3/c1-4-5-6-11-8-14-7-9(2)12(11)15-10(3)13/h9,11-12H,4-8H2,1-3H3"	"XWNKVSFNBVIKJB-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"383-63-1"	"DTXSID8041959"	"Ethyl trifluoroacetate"	"EPA_DSSTox"	"CCOC(=O)C(F)(F)F"	"?"	"InChI=1S/C4H5F3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3"	"STSCVKRWJPWALQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"38304-91-5"	"DTXSID9040685"	"Minoxidil"	"EPA_DSSTox"	"NC1N=C(C=C(N)[N+]=1[O-])N1CCCCC1"	"?"	"InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12)"	"ZFMITUMMTDLWHR-UHFFFAOYSA-N"	FALSE	FALSE	1321	3	4
"3833-54-3"	"DTXSID10191695"	"Benzenesulfonamide, N-(5-(2-hydroxyethoxy)-2-pyrimidinyl)-, sodium salt"	"EPA_DSSTox"	"OCCOC1=CN=C(NS(=O)(=O)C2C=CC=CC=2)N=C1"	"?"	"InChI=1S/C12H13N3O4S/c16-6-7-19-10-8-13-12(14-9-10)15-20(17,18)11-4-2-1-3-5-11/h1-5,8-9,16H,6-7H2,(H,13,14,15)"	"RVHKPYUHEMOMIZ-UHFFFAOYSA-N"	FALSE	TRUE	8000	4	5
"38331-02-1"	"DTXSID50191699"	"Phosphoric acid, 1-(2,4-dichlorophenyl)ethenyl diethyl ester"	"EPA_DSSTox"	"CCOP(=O)(OC(=C)C1C=CC(Cl)=CC=1Cl)OCC"	"?"	"InChI=1S/C12H15Cl2O4P/c1-4-16-19(15,17-5-2)18-9(3)11-7-6-10(13)8-12(11)14/h6-8H,3-5H2,1-2H3"	"IZLGBMLXOOGJMU-UHFFFAOYSA-N"	FALSE	FALSE	1530	3	4
"38357-93-6"	"DTXSID30191713"	"ITF 1016"	"EPA_DSSTox"	"FC(F)(F)C1=CC(=CC=C1)N1N=C(OCCCN2CCCCCC2)C2=CC=CN=C12"	"Cl"	"InChI=1S/C22H25F3N4O/c23-22(24,25)17-8-5-9-18(16-17)29-20-19(10-6-11-26-20)21(27-29)30-15-7-14-28-12-3-1-2-4-13-28/h5-6,8-11,16H,1-4,7,12-15H2"	"WDGCTMFHOURWAS-UHFFFAOYSA-N"	FALSE	FALSE	780	3	4
"38363-40-5"	"DTXSID8023428"	"Penbutolol"	"EPA_DSSTox"	"CC(C)(C)NCC(O)COC1C=CC=CC=1C1CCCC1"	"?"	"InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3"	"KQXKVJAGOJTNJS-UHFFFAOYSA-N"	FALSE	FALSE	1265	3	4
"38411-17-5"	"DTXSID3068095"	"Acetamide, N-(2,5-dichloro-4-nitrophenyl)-"	"EPA_DSSTox"	"CC(=O)NC1C=C(Cl)C(=CC=1Cl)[N+]([O-])=O"	"?"	"InChI=1S/C8H6Cl2N2O3/c1-4(13)11-7-2-6(10)8(12(14)15)3-5(7)9/h2-3H,1H3,(H,11,13)"	"YOKGZPNQGIYATO-UHFFFAOYSA-N"	FALSE	TRUE	2830	3	5
"3844-45-9"	"DTXSID2020189"	"FD&C Blue No. 1"	"EPA_DSSTox"	"CC[N+](CC1C=C(C=CC=1)S(O)(=O)=O)=C1C=CC(C=C1)=C(C1C=CC=CC=1S(O)(=O)=O)C1C=CC(=CC=1)N(CC1=CC(=CC=C1)S(O)(=O)=O)CC |t:14,21|"	"[Na+].[Na+]"	"InChI=1S/C37H36N2O9S3/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48)/p+1"	"CTRXDTYTAAKVSM-UHFFFAOYSA-O"	FALSE	TRUE	NA	3	5
"3845-20-3"	"DTXSID40191769"	"4H-1-Benzopyran-2-carboxanilide, 4-oxo-4'-sulfamoyl-"	"EPA_DSSTox"	"NS(=O)(=O)C1C=CC(=CC=1)NC(=O)C1=CC(=O)C2C=CC=CC=2O1"	"?"	"InChI=1S/C16H12N2O5S/c17-24(21,22)11-7-5-10(6-8-11)18-16(20)15-9-13(19)12-3-1-2-4-14(12)23-15/h1-9H,(H,18,20)(H2,17,21,22)"	"QHDDRKIOSRWZGG-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"3848-24-6"	"DTXSID2047066"	"2,3-Hexanedione"	"EPA_DSSTox"	"CC(=O)C(=O)CCC"	"?"	"InChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4H2,1-2H3"	"MWVFCEVNXHTDNF-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"38524-82-2"	"DTXSID8058081"	"Trifenofos"	"EPA_DSSTox"	"CCOP(=O)(OC1C(Cl)=CC(Cl)=CC=1Cl)SCCC"	"?"	"InChI=1S/C11H14Cl3O3PS/c1-3-5-19-18(15,16-4-2)17-11-9(13)6-8(12)7-10(11)14/h6-7H,3-5H2,1-2H3"	"JJSBMWMYKICVIZ-UHFFFAOYSA-N"	FALSE	FALSE	151	2	3
"38527-91-2"	"DTXSID3058082"	"Etaphos"	"EPA_DSSTox"	"CCOP(=O)(OC1=CC=C(Cl)C=C1Cl)SCCC"	"?"	"InChI=1S/C11H15Cl2O3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3"	"ZGPVUVBRTCPAPZ-UHFFFAOYSA-N"	FALSE	FALSE	320	2	4
"3853-74-5"	NA	NA	"Public_CrossChecked"	"COP(=S)(OC(C)C)SCSCCOC(=O)NCC"	"?"	"InChI=1S/C10H22NO4PS3/c1-5-11-10(12)14-6-7-18-8-19-16(17,13-4)15-9(2)3/h9H,5-8H2,1-4H3,(H,11,12)"	"FMNOHKQQEIWPRE-UHFFFAOYSA-N"	TRUE	FALSE	8.5	1	2
"3857-80-5"	NA	NA	"Public_CrossChecked"	"CN(CC(C)(N)CNCC(CCCC)CC)CC(CCCC)CC"	"?"	"InChI=1S/C21H47N3/c1-7-11-13-19(9-3)15-23-17-21(5,22)18-24(6)16-20(10-4)14-12-8-2/h19-20,23H,7-18,22H2,1-6H3"	"RCNXUTDLDYQBIV-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"38588-65-7"	"DTXSID60191908"	"Guanidine, N,N'-bis(1-methylethyl)-"	"EPA_DSSTox"	"CC(C)/N=C(\N)/NC(C)C"	"?"	"InChI=1S/C7H17N3/c1-5(2)9-7(8)10-6(3)4/h5-6H,1-4H3,(H3,8,9,10)"	"MTZUNDSWFIDAOO-UHFFFAOYSA-N"	FALSE	TRUE	2880	3	5
"386-17-4"	"DTXSID7048291"	"Iodophthalein"	"EPA_DSSTox"	"OC(=O)C1C=CC=CC=1C(C1=CC(I)=C(O)C(I)=C1)=C1C=C(I)C(=O)C(I)=C1"	"?"	"InChI=1S/C20H10I4O4/c21-13-5-9(6-14(22)18(13)25)17(10-7-15(23)19(26)16(24)8-10)11-3-1-2-4-12(11)20(27)28/h1-8,25H,(H,27,28)"	"KVFPRLVRGPLMDH-UHFFFAOYSA-N"	FALSE	TRUE	2800	3	5
"3861-47-0"	"DTXSID8042054"	"Ioxynil octanoate"	"EPA_DSSTox"	"CCCCCCCC(=O)OC1C(I)=CC(=CC=1I)C#N"	"?"	"InChI=1S/C15H17I2NO2/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"	"QBEXFUOWUYCXNI-UHFFFAOYSA-N"	FALSE	FALSE	190	2	3
"3861-73-2"	"DTXSID9046578"	"Anazolene sodium"	"EPA_DSSTox"	"OC1=CC(=CC2C=C(C=C(N=NC3=CC=C(NC4C=CC=CC=4)C4C(=CC=CC3=4)S(O)(=O)=O)C1=2)S(O)(=O)=O)S(O)(=O)=O"	"[Na+].[Na+].[Na+]"	"InChI=1S/C26H19N3O10S3/c30-23-14-18(41(34,35)36)12-15-11-17(40(31,32)33)13-22(25(15)23)29-28-20-9-10-21(27-16-5-2-1-3-6-16)26-19(20)7-4-8-24(26)42(37,38)39/h1-14,27,30H,(H,31,32,33)(H,34,35,36)(H,37,38,39)"	"QFVHZQCOUORWEI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"38615-43-9"	"DTXSID3068120"	"1,6-Hexanediamine, N-butyl-"	"EPA_DSSTox"	"CCCCNCCCCCCN"	"?"	"InChI=1S/C10H24N2/c1-2-3-9-12-10-7-5-4-6-8-11/h12H,2-11H2,1H3"	"IQDWESONKRVAER-UHFFFAOYSA-N"	FALSE	FALSE	536	3	4
"3862-08-6"	"DTXSID50191937"	"Phenol, o-ethyl-, phosphate (6CI,7CI)"	"EPA_DSSTox"	"CCC1C=CC=CC=1OP(=O)(OC1C=CC=CC=1CC)OC1C=CC=CC=1CC"	"?"	"InChI=1S/C24H27O4P/c1-4-19-13-7-10-16-22(19)26-29(25,27-23-17-11-8-14-20(23)5-2)28-24-18-12-9-15-21(24)6-3/h7-18H,4-6H2,1-3H3"	"DTOOHWOPSUKNJL-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3862-73-5"	NA	NA	"Public_CrossChecked"	"NC1=CC=C(F)C(F)=C1F"	"?"	"InChI=1S/C6H4F3N/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2"	"WRDGNXCXTDDYBZ-UHFFFAOYSA-N"	FALSE	FALSE	699	3	4
"3863-11-4"	"DTXSID80191945"	"Benzenamine, 3,4-difluoro-"	"EPA_DSSTox"	"NC1C=C(F)C(F)=CC=1"	"?"	"InChI=1S/C6H5F2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2"	"AXNUZKSSQHTNPZ-UHFFFAOYSA-N"	FALSE	FALSE	340	2	4
"3863-80-7"	NA	NA	"Public_CrossChecked"	"OS(=O)(=O)C1=CC2NC3=CC4N=C5C=CC(=CC5=NC=4C=C3NC=2C=C1)S(O)(=O)=O"	"[Na+].[Na+]"	"InChI=1S/C18H12N4O6S2/c23-29(24,25)9-1-3-11-13(5-9)21-17-8-16-18(7-15(17)19-11)22-14-6-10(30(26,27)28)2-4-12(14)20-16/h1-8,19,21H,(H,23,24,25)(H,26,27,28)"	"NSKLSNIHKLDUAI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"38640-62-9"	"DTXSID9041869"	"Diisopropylnaphthalene"	"EPA_DSSTox"	"CC(C)C1=CC2C=C(C=CC=2C=C1)C(C)C"	"?"	"InChI=1S/C16H20/c1-11(2)14-7-5-13-6-8-15(12(3)4)10-16(13)9-14/h5-12H,1-4H3"	"YGDMAJYAQCDTNG-UHFFFAOYSA-N"	FALSE	TRUE	4130	3	5
"38641-94-0"	"DTXSID0034649"	"Glyphosate-isopropylamine"	"EPA_DSSTox"	"OC(=O)CNCP(O)(O)=O"	"NC(C)C"	"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"	FALSE	TRUE	10537	4	5
"38665-24-6"	NA	NA	"Public_CrossChecked"	"[O-][N+](=O)C1=CC=C(C=CC(O)=O)O1"	"?"	"InChI=1S/C7H5NO5/c9-7(10)4-2-5-1-3-6(13-5)8(11)12/h1-4H,(H,9,10)"	"LWOWNIPZHGWKNR-UHFFFAOYSA-N"	FALSE	FALSE	1220	3	4
"3868-61-9"	"DTXSID5052707"	"Endosulfan lactone"	"EPA_DSSTox"	"O=C1OCC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl"	"?"	"InChI=1S/C9H4Cl6O2/c10-4-5(11)8(13)3-2(1-17-6(3)16)7(4,12)9(8,14)15/h2-3H,1H2"	"GIUKJJMBQBRFTN-UHFFFAOYSA-N"	FALSE	FALSE	105	2	3
"38721-71-0"	"DTXSID8052061"	"Dichlorobenzyl chloride"	"EPA_DSSTox"	"ClCC1C=C(Cl)C=C(Cl)C=1"	"?"	"InChI=1S/C7H5Cl3/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,4H2"	"ZFLRKAMKGYNFPH-UHFFFAOYSA-N"	FALSE	FALSE	1080	3	4
"38725-95-0"	"DTXSID80192018"	"Diethatyl [ANSI:BSI:ISO]"	"EPA_DSSTox"	"CCC1=CC=CC(CC)=C1N(CC(O)=O)C(=O)CCl"	"?"	"InChI=1S/C14H18ClNO3/c1-3-10-6-5-7-11(4-2)14(10)16(9-13(18)19)12(17)8-15/h5-7H,3-4,8-9H2,1-2H3,(H,18,19)"	"ISERORSDFSDMDV-UHFFFAOYSA-N"	FALSE	TRUE	2300	3	5
"38727-55-8"	"DTXSID9032539"	"Diethatyl-ethyl"	"EPA_DSSTox"	"CCC1C=CC=C(CC)C=1N(CC(=O)OCC)C(=O)CCl"	"?"	"InChI=1S/C16H22ClNO3/c1-4-12-8-7-9-13(5-2)16(12)18(14(19)10-17)11-15(20)21-6-3/h7-9H,4-6,10-11H2,1-3H3"	"WFKSADNZWSKCRZ-UHFFFAOYSA-N"	FALSE	TRUE	2300	3	5
"3875-72-7"	"DTXSID7063217"	"[2,2'-Bibenzo[b]thiophene]-3,3'-diol, 6,6'-dichloro-4,4'-dimethyl-, bis(hydrogen sulfate), disodium salt"	"EPA_DSSTox"	"CC1C=C(Cl)C=C2SC(C3SC4C=C(Cl)C=C(C)C=4C=3OS(O)(=O)=O)=C(OS(O)(=O)=O)C=12"	"[Na+].[Na+]"	"InChI=1S/C18H12Cl2O8S4/c1-7-3-9(19)5-11-13(7)15(27-31(21,22)23)17(29-11)18-16(28-32(24,25)26)14-8(2)4-10(20)6-12(14)30-18/h3-6H,1-2H3,(H,21,22,23)(H,24,25,26)"	"KEEYROYGYFYMHV-UHFFFAOYSA-N"	FALSE	TRUE	4360	3	5
"38753-50-3"	"DTXSID20192032"	"2-Isopropoxynitrobenzene"	"EPA_DSSTox"	"CC(C)OC1C=CC=CC=1[N+]([O-])=O"	"?"	"InChI=1S/C9H11NO3/c1-7(2)13-9-6-4-3-5-8(9)10(11)12/h3-7H,1-2H3"	"YGURTOHWDPSBAA-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"3878-19-1"	"DTXSID4041995"	"Fuberidazole"	"EPA_DSSTox"	"C1=CC=C(O1)C1NC2C=CC=CC=2N=1"	"?"	"InChI=1S/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)"	"UYJUZNLFJAWNEZ-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"38821-53-3"	"DTXSID4022785"	"Cephradine"	"EPA_DSSTox"	"CC1CSC2C(NC(=O)C(N)C3CC=CCC=3)C(=O)N2C=1C(O)=O"	"?"	"InChI=1S/C16H19N3O4S/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/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)"	"RDLPVSKMFDYCOR-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"38827-35-9"	"DTXSID9041316"	"2,3,5-Trichloro-4-(propylsulfonyl)pyridine"	"EPA_DSSTox"	"CCCS(=O)(=O)C1=C(Cl)C=NC(Cl)=C1Cl"	"?"	"InChI=1S/C8H8Cl3NO2S/c1-2-3-15(13,14)7-5(9)4-12-8(11)6(7)10/h4H,2-3H2,1H3"	"HKOMCMOYGRBTIP-UHFFFAOYSA-N"	FALSE	FALSE	1100	3	4
"38835-17-5"	NA	NA	"Public_CrossChecked"	"CC(C(=O)OCC(O)CO)C1C=CC2C=C(C=CC=2C=1)OC"	"?"	"InChI=1S/C17H20O5/c1-11(17(20)22-10-15(19)9-18)12-3-4-14-8-16(21-2)6-5-13(14)7-12/h3-8,11,15,18-19H,9-10H2,1-2H3"	"NQGWSPZQESAHBV-UHFFFAOYSA-N"	FALSE	FALSE	1630	3	4
"388606-32-4"	"DTXSID40473572"	"3-[(2,2-Dimethyl-1,2-azasilolidin-1-yl)(dimethyl)silyl]propan-1-amine"	"EPA_DSSTox"	"C[Si]1(C)CCCN1[Si](C)(C)CCCN"	"?"	"InChI=1S/C10H26N2Si2/c1-13(2,9-5-7-11)12-8-6-10-14(12,3)4/h5-11H2,1-4H3"	"IELVEAVYQVBGNX-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"38873-55-1"	"DTXSID50192126"	"Furobufen"	"EPA_DSSTox"	"OC(=O)CCC(=O)C1=CC2=C(C=C1)OC1C=CC=CC2=1"	"?"	"InChI=1S/C16H12O4/c17-13(6-8-16(18)19)10-5-7-15-12(9-10)11-3-1-2-4-14(11)20-15/h1-5,7,9H,6,8H2,(H,18,19)"	"LQVMQEYROPXMQH-UHFFFAOYSA-N"	FALSE	FALSE	1283	3	4
"3891-07-4"	"DTXSID1063225"	"1H-Isoindole-1,3(2H)-dione, 2-(2-hydroxyethyl)-"	"EPA_DSSTox"	"OCCN1C(=O)C2=CC=CC=C2C1=O"	"?"	"InChI=1S/C10H9NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,12H,5-6H2"	"MWFLUYFYHANMCM-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"3891-98-3"	"DTXSID1058634"	"2,6,10-Trimethyldodecane"	"EPA_DSSTox"	"CC(C)CCCC(C)CCCC(C)CC"	"?"	"InChI=1S/C15H32/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h13-15H,6-12H2,1-5H3"	"YFHFHLSMISYUAQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"38916-42-6"	"DTXSID5036478"	"Tetrasodium N-(3-carboxyl-1-sulfopropyl)-N-stearyl aspartate"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCCN(C(CC(O)=O)C(O)=O)C(=O)CC(C(O)=O)S(O)(=O)=O"	"[Na+].[Na+].[Na+].[Na+]"	"InChI=1S/C26H47NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(21(25(31)32)19-24(29)30)23(28)20-22(26(33)34)38(35,36)37/h21-22H,2-20H2,1H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36,37)"	"YRTAHOYMHHXQPH-UHFFFAOYSA-N"	FALSE	TRUE	6500	4	5
"38957-41-4"	"DTXSID0022981"	"Emorfazone"	"EPA_DSSTox"	"CN1N=CC(=C(OCC)C1=O)N1CCOCC1"	"?"	"InChI=1S/C11H17N3O3/c1-3-17-10-9(8-12-13(2)11(10)15)14-4-6-16-7-5-14/h8H,3-7H2,1-2H3"	"URJQOOISAKEBKW-UHFFFAOYSA-N"	FALSE	FALSE	1900	3	4
"3896-11-5"	"DTXSID9036438"	"Bumetrizole"	"EPA_DSSTox"	"CC1C=C(C(O)=C(C=1)N1N=C2C=C(Cl)C=CC2=N1)C(C)(C)C"	"?"	"InChI=1S/C17H18ClN3O/c1-10-7-12(17(2,3)4)16(22)15(8-10)21-19-13-6-5-11(18)9-14(13)20-21/h5-9,22H,1-4H3"	"OCWYEMOEOGEQAN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"390-64-7"	"DTXSID0048555"	"Prenylamine"	"EPA_DSSTox"	"CC(CC1C=CC=CC=1)NCCC(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C24H27N/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3"	"IFFPICMESYHZPQ-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"3900-31-0"	"DTXSID00192277"	"Fludiazepam"	"EPA_DSSTox"	"CN1C(=O)CN=C(C2C=CC=CC=2F)C2C=C(Cl)C=CC1=2"	"?"	"InChI=1S/C16H12ClFN2O/c1-20-14-7-6-10(17)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3"	"ROYOYTLGDLIGBX-UHFFFAOYSA-N"	FALSE	FALSE	1740	3	4
"3905-19-9"	"DTXSID8052063"	"Pigment Red 166"	"EPA_DSSTox"	"OC1=C(N=NC2C=C(Cl)C=CC=2Cl)C2C=CC=CC=2C=C1C(=O)NC1C=CC(=CC=1)NC(=O)C1=CC2=CC=CC=C2C(N=NC2=CC(Cl)=CC=C2Cl)=C1O"	"?"	"InChI=1S/C40H24Cl4N6O4/c41-23-9-15-31(43)33(19-23)47-49-35-27-7-3-1-5-21(27)17-29(37(35)51)39(53)45-25-11-13-26(14-12-25)46-40(54)30-18-22-6-2-4-8-28(22)36(38(30)52)50-48-34-20-24(42)10-16-32(34)44/h1-20,51-52H,(H,45,53)(H,46,54)"	"NQDGNYQKISTHLK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"39062-72-1"	"DTXSID80192311"	"Benzoic acid, 2-((4-hydroxy-3-(trifluoromethyl)phenyl)amino)-"	"EPA_DSSTox"	"OC1=CC=C(C=C1C(F)(F)F)NC1C=CC=CC=1C(O)=O"	"?"	"InChI=1S/C14H10F3NO3/c15-14(16,17)10-7-8(5-6-12(10)19)18-11-4-2-1-3-9(11)13(20)21/h1-7,18-19H,(H,20,21)"	"HCZJTVVRDYJDHC-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"39067-39-5"	"DTXSID10865940"	"Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde, 3-propyl-"	"EPA_DSSTox"	"CCCC1C2CC(C=C2)C1C=O"	"?"	"InChI=1S/C11H16O/c1-2-3-10-8-4-5-9(6-8)11(10)7-12/h4-5,7-11H,2-3,6H2,1H3"	"RPJGEHBYOXRURE-UHFFFAOYSA-N"	FALSE	TRUE	4600	3	5
"39082-00-3"	"DTXSID0068155"	"Butanamide, 4-chloro-3-oxo-N-phenyl-"	"EPA_DSSTox"	"O=C(CCl)CC(=O)NC1C=CC=CC=1"	"?"	"InChI=1S/C10H10ClNO2/c11-7-9(13)6-10(14)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14)"	"CJLSDBRIXZFCKV-UHFFFAOYSA-N"	FALSE	FALSE	1825	3	4
"3913-02-8"	"DTXSID0044818"	"2-Butyloctan-1-ol"	"EPA_DSSTox"	"CCCCC(CO)CCCCCC"	"?"	"InChI=1S/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3"	"XMVBHZBLHNOQON-UHFFFAOYSA-N"	FALSE	TRUE	13000	4	5
"39156-41-7"	"DTXSID7020398"	"2,4-Diaminoanisole sulfate"	"EPA_DSSTox"	"COC1C=CC(N)=CC=1N"	"O=S(=O)(O)O"	"InChI=1S/C7H10N2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,8-9H2,1H3"	"BAHPQISAXRFLCL-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"3917-15-5"	"DTXSID70192406"	"Ether, allyl vinyl"	"EPA_DSSTox"	"C=COCC=C"	"?"	"InChI=1S/C5H8O/c1-3-5-6-4-2/h3-4H,1-2,5H2"	"ZXABMDQSAABDMG-UHFFFAOYSA-N"	FALSE	FALSE	550	3	4
"39195-82-9"	"DTXSID3052066"	"3,3-Dimethyl-1-(methylthio)butan-2-one oxime"	"EPA_DSSTox"	"CSCC(N=O)C(C)(C)C"	"?"	"InChI=1S/C7H15NOS/c1-7(2,3)6(8-9)5-10-4/h6H,5H2,1-4H3"	"HACRTUWEQWDHCE-UHFFFAOYSA-N"	FALSE	FALSE	813	3	4
"39196-09-3"	NA	NA	"Public_CrossChecked"	"CC(C)(C)C(CS(C)(=O)=O)N=O"	"?"	"InChI=1S/C7H15NO3S/c1-7(2,3)6(8-9)5-12(4,10)11/h6H,5H2,1-4H3"	"WLXYSCAULIGANC-UHFFFAOYSA-N"	FALSE	FALSE	734	3	4
"39196-10-6"	NA	NA	"Public_CrossChecked"	"CS(=O)CC(N=O)C(C)(C)C"	"?"	"InChI=1S/C7H15NO2S/c1-7(2,3)6(8-9)5-11(4)10/h6H,5H2,1-4H3"	"HEYOEQCZWYLARN-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"39196-18-4"	"DTXSID4042468"	"Thiofanox"	"EPA_DSSTox"	"CC(C)(C)C(CSC)=NOC(=O)NC"	"?"	"InChI=1S/C9H18N2O2S/c1-9(2,3)7(6-14-5)11-13-8(12)10-4/h6H2,1-5H3,(H,10,12)"	"FZSVSABTBYGOQH-UHFFFAOYSA-N"	TRUE	FALSE	8.5	1	2
"392-83-6"	"DTXSID7059939"	"Benzene, 1-bromo-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1C=CC=CC=1Br"	"?"	"InChI=1S/C7H4BrF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H"	"RWXUNIMBRXGNEP-UHFFFAOYSA-N"	FALSE	TRUE	2720	3	5
"39215-09-3"	"DTXSID60192470"	"Benzimidazole, 5-bromo-6-chloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1NC2=CC(Cl)=C(Br)C=C2N=1"	"?"	"InChI=1S/C8H3BrClF3N2/c9-3-1-5-6(2-4(3)10)15-7(14-5)8(11,12)13/h1-2H,(H,14,15)"	"UHERXXCCJSTBOA-UHFFFAOYSA-N"	TRUE	FALSE	9.044	1	2
"3922-90-5"	"DTXSID4023389"	"Oleandomycin"	"EPA_DSSTox"	"COC1CC(OC(C)C1O)OC1C(C)C(=O)OC(C)C(C)C(O)C(C)C(=O)C2(CO2)CC(C)C(OC2OC(C)CC(C2O)N(C)C)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"	FALSE	TRUE	6700	4	5
"39227-28-6"	"DTXSID8052067"	"1,2,3,4,7,8-Hexachlorodibenzodioxin"	"EPA_DSSTox"	"ClC1C=C2OC3=C(OC2=CC=1Cl)C(Cl)=C(Cl)C(Cl)=C3Cl"	"?"	"InChI=1S/C12H2Cl6O2/c13-3-1-5-6(2-4(3)14)20-12-10(18)8(16)7(15)9(17)11(12)19-5/h1-2H"	"WCYYQNSQJHPVMG-UHFFFAOYSA-N"	TRUE	FALSE	0.887	1	1
"39236-46-9"	"DTXSID2040151"	"Imidazolidinyl urea"	"EPA_DSSTox"	"OCN1C(NC(=O)NCNC(=O)NC2C(=O)NC(=O)N2CO)C(=O)NC1=O"	"?"	"InChI=1S/C11H16N8O8/c20-2-18-4(6(22)16-10(18)26)14-8(24)12-1-13-9(25)15-5-7(23)17-11(27)19(5)3-21/h4-5,20-21H,1-3H2,(H2,12,14,24)(H2,13,15,25)(H,16,22,26)(H,17,23,27)"	"ZCTXEAQXZGPWFG-UHFFFAOYSA-N"	FALSE	TRUE	11300	4	5
"39242-73-4"	"DTXSID50192500"	"Pyridine, 3-(4-methyl-5-nitro-2-thiazolyl)-, monohydrochloride"	"EPA_DSSTox"	"CC1N=C(SC=1[N+]([O-])=O)C1C=NC=CC=1"	"Cl"	"InChI=1S/C9H7N3O2S/c1-6-9(12(13)14)15-8(11-6)7-3-2-4-10-5-7/h2-5H,1H3"	"HEOWSOIDYOCWPD-UHFFFAOYSA-N"	FALSE	FALSE	815	3	4
"3926-62-3"	"DTXSID1027550"	"Sodium chloroacetate"	"EPA_DSSTox"	"OC(=O)CCl"	"[Na+]"	"InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)"	"FOCAUTSVDIKZOP-UHFFFAOYSA-N"	FALSE	FALSE	76	2	3
"393-85-1"	"DTXSID60408886"	"Methyl 5-fluoro-2-nitrobenzoate"	"EPA_DSSTox"	"COC(=O)C1=CC(F)=CC=C1[N+]([O-])=O"	"?"	"InChI=1S/C8H6FNO4/c1-14-8(11)6-4-5(9)2-3-7(6)10(12)13/h2-4H,1H3"	"LCAUVFVOLNRVKG-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"3938-45-2"	"DTXSID80192578"	"3-Isopropylphenyl N,N-dimethylcarbamate"	"EPA_DSSTox"	"CN(C)C(=O)OC1=CC(=CC=C1)C(C)C"	"?"	"InChI=1S/C12H17NO2/c1-9(2)10-6-5-7-11(8-10)15-12(14)13(3)4/h5-9H,1-4H3"	"RDKXIDLUGBHOCT-UHFFFAOYSA-N"	FALSE	FALSE	160	2	3
"39391-39-4"	NA	NA	"Public_CrossChecked"	"NC(CCOC1C=CC(=CC=1)C(N=O)C(=O)NC1CN(C(C2C=CC(O)=CC=2)C(O)=O)C1=O)C(O)=O"	"?"	"InChI=1S/C23H24N4O9/c24-16(22(31)32)9-10-36-15-7-3-12(4-8-15)18(26-35)20(29)25-17-11-27(21(17)30)19(23(33)34)13-1-5-14(28)6-2-13/h1-8,16-19,28H,9-11,24H2,(H,25,29)(H,31,32)(H,33,34)"	"WUGJGWZTIBBQIV-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"3942-54-9"	"DTXSID3058084"	"CPMC"	"EPA_DSSTox"	"CNC(=O)OC1=CC=CC=C1Cl"	"?"	"InChI=1S/C8H8ClNO2/c1-10-8(11)12-7-5-3-2-4-6(7)9/h2-5H,1H3,(H,10,11)"	"ZAGNMMRDHSEOPE-UHFFFAOYSA-N"	FALSE	FALSE	648	3	4
"39430-27-8"	"DTXSID90872950"	"Nickel carbonate hydroxide (Ni3(CO3)(OH)4), tetrahydrate"	"EPA_DSSTox"	"OC(O)=O"	"O.O.O"	"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)"	"BVKZGUZCCUSVTD-UHFFFAOYSA-N"	FALSE	FALSE	840	3	4
"39464-66-9"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCCCCOCCO"	"OP(=O)(O)O"	"InChI=1S/C14H30O2/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15/h15H,2-14H2,1H3"	"SFNALCNOMXIBKG-UHFFFAOYSA-N"	FALSE	TRUE	6550	4	5
"39472-31-6"	NA	NA	"Public_CrossChecked"	"CC(=O)C1(O)CC2C(C(C1)OC1CC(N)C(O)C(C)O1)=C(O)C1=C(C(=O)C3C=CC=C(O)C=3C1=O)C=2O"	"?"	"InChI=1S/C26H27NO10/c1-9-21(30)13(27)6-16(36-9)37-15-8-26(35,10(2)28)7-12-18(15)25(34)20-19(23(12)32)22(31)11-4-3-5-14(29)17(11)24(20)33/h3-5,9,13,15-16,21,29-30,32,34-35H,6-8,27H2,1-2H3"	"XREUEWVEMYWFFA-UHFFFAOYSA-N"	TRUE	FALSE	23	1	2
"3953-10-4"	"DTXSID9063241"	"2-Ethylbutyl acrylate"	"EPA_DSSTox"	"CCC(COC(=O)C=C)CC"	"?"	"InChI=1S/C9H16O2/c1-4-8(5-2)7-11-9(10)6-3/h6,8H,3-5,7H2,1-2H3"	"JGRXEBOFWPLEAV-UHFFFAOYSA-N"	FALSE	TRUE	6490	4	5
"3954-73-2"	NA	NA	"Public_CrossChecked"	"CP(=S)(OCCCCCl)OC1C=CC(=C(C=1)C(F)(F)F)[N+]([O-])=O"	"?"	"InChI=1S/C12H14ClF3NO4PS/c1-22(23,20-7-3-2-6-13)21-9-4-5-11(17(18)19)10(8-9)12(14,15)16/h4-5,8H,2-3,6-7H2,1H3"	"RMCKJMQDQHLYFV-UHFFFAOYSA-N"	FALSE	FALSE	79	2	3
"39543-79-8"	NA	NA	"Public_CrossChecked"	"CC(=O)C1=CC2C=CC=C(OCC(O)CNC(C)C)C=2O1"	"?"	"InChI=1S/C16H21NO4/c1-10(2)17-8-13(19)9-20-14-6-4-5-12-7-15(11(3)18)21-16(12)14/h4-7,10,13,17,19H,8-9H2,1-3H3"	"ZPQPDBIHYCBNIG-UHFFFAOYSA-N"	FALSE	FALSE	922	3	4
"39557-39-6"	NA	NA	"Public_CrossChecked"	"O=C1C=CC(=O)N1C1C=CC(=CC=1)SSC1C=CC(=CC=1)N1C(=O)C=CC1=O"	"?"	"InChI=1S/C20H12N2O4S2/c23-17-9-10-18(24)21(17)13-1-5-15(6-2-13)27-28-16-7-3-14(4-8-16)22-19(25)11-12-20(22)26/h1-12H"	"MPLHZTWRCINWPX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"39562-22-6"	NA	NA	"Public_CrossChecked"	"CC(=O)C(=CC1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCOC"	"?"	"InChI=1S/C14H15NO6/c1-10(16)13(14(17)21-7-6-20-2)9-11-4-3-5-12(8-11)15(18)19/h3-5,8-9H,6-7H2,1-2H3"	"UVZJPCAZMGLNTB-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"39562-70-4"	"DTXSID0023373"	"Nitrendipine"	"EPA_DSSTox"	"COC(=O)C1C(C(C(=O)OCC)=C(C)NC=1C)C1C=C(C=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3"	"PVHUJELLJLJGLN-UHFFFAOYSA-N"	FALSE	TRUE	15370	4	5
"396-01-0"	"DTXSID6021373"	"Triamterene"	"EPA_DSSTox"	"NC1=NC2N=C(N)N=C(N)C=2N=C1C1C=CC=CC=1"	"?"	"InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)"	"FNYLWPVRPXGIIP-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"39603-48-0"	"DTXSID00192717"	"Hydrazinecarbothioamide, 2,2'-methylenebis-"	"EPA_DSSTox"	"NC(=S)NNCNNC(N)=S"	"?"	"InChI=1S/C3H10N6S2/c4-2(10)8-6-1-7-9-3(5)11/h6-7H,1H2,(H3,4,8,10)(H3,5,9,11)"	"JKSKMVKDSOOOFA-UHFFFAOYSA-N"	TRUE	FALSE	6.35	1	2
"39624-86-7"	"DTXSID10192728"	"Phosphorothioic acid, O,O-diethyl O-(6-fluoro-2-pyridyl) ester"	"EPA_DSSTox"	"CCOP(=S)(OC1C=NC(F)=CC=1)OCC"	"?"	"InChI=1S/C9H13FNO3PS/c1-3-12-15(16,13-4-2)14-8-5-6-9(10)11-7-8/h5-7H,3-4H2,1-2H3"	"DTWQOKPPRNFERL-UHFFFAOYSA-N"	TRUE	FALSE	12	1	2
"3963-95-9"	"DTXSID5045382"	"Methacycline hydrochloride"	"EPA_DSSTox"	"CN(C)C1C2C(O)C3C(=C)C4C=CC=C(O)C=4C(=O)C3=C(O)C2(O)C(=O)C(C(N)=O)=C1O"	"Cl"	"InChI=1S/C22H22N2O8/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/h4-6,10,14-15,17,25,27-29,32H,1H2,2-3H3,(H2,23,31)"	"MHIGBKBJSQVXNH-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"39670-09-2"	"DTXSID70865966"	"Ethyltriglycol methacrylate"	"EPA_DSSTox"	"CC(=C)C(=O)OCCOCCOCCOCC"	"?"	"InChI=1S/C12H22O5/c1-4-14-5-6-15-7-8-16-9-10-17-12(13)11(2)3/h2,4-10H2,1,3H3"	"RBFPEAGEJJSYCX-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"39699-08-6"	"DTXSID10192783"	"1,5-Naphthalenedisulfonic acid, 3,?-diamino-"	"EPA_DSSTox"	"NC1=C(C2C=CC=C(C=2C=C1N)S(O)(=O)=O)S(O)(=O)=O"	"?"	"InChI=1S/C10H10N2O6S2/c11-7-4-6-5(10(9(7)12)20(16,17)18)2-1-3-8(6)19(13,14)15/h1-4H,11-12H2,(H,13,14,15)(H,16,17,18)"	"ZMAJIMKBWRSAGS-UHFFFAOYSA-N"	FALSE	TRUE	29000	4	5
"3971-89-9"	"DTXSID10192788"	"Carbamic acid, methyl-, 2,3,4-trimethylphenyl ester"	"EPA_DSSTox"	"CC1C(C)=C(C=CC=1C)OC(=O)NC"	"?"	"InChI=1S/C11H15NO2/c1-7-5-6-10(9(3)8(7)2)14-11(13)12-4/h5-6H,1-4H3,(H,12,13)"	"QDTDXNJDLXKLLJ-UHFFFAOYSA-N"	FALSE	FALSE	318	2	4
"39716-58-0"	"DTXSID50401043"	"4-Pentenoyl chloride"	"EPA_DSSTox"	"C=CCCC(=O)Cl"	"?"	"InChI=1S/C5H7ClO/c1-2-3-4-5(6)7/h2H,1,3-4H2"	"JDKQTIKEGOOXTJ-UHFFFAOYSA-N"	FALSE	FALSE	470	2	4
"39765-80-5"	"DTXSID5052709"	"trans-Nonachlor"	"EPA_DSSTox"	"ClC1(Cl)C2(Cl)C3C(C(Cl)C(Cl)C3Cl)C1(Cl)C(Cl)=C2Cl"	"?"	"InChI=1S/C10H5Cl9/c11-3-1-2(4(12)5(3)13)9(17)7(15)6(14)8(1,16)10(9,18)19/h1-5H"	"OCHOKXCPKDPNQU-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"39794-99-5"	"DTXSID8041826"	"Cyperquat chloride"	"EPA_DSSTox"	"C[N+]1C=CC(=CC=1)C1C=CC=CC=1"	"[Cl-]"	"InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1"	"FMGYKKMPNATWHP-UHFFFAOYSA-N"	TRUE	FALSE	35	1	2
"39801-14-4"	"DTXSID2020896"	"Photomirex"	"EPA_DSSTox"	"ClC12C3(Cl)C4C1(Cl)C(Cl)(Cl)C1(Cl)C4(Cl)C(Cl)(C21Cl)C3(Cl)Cl"	"?"	"InChI=1S/C10HCl11/c11-2-1-3(12)5(14)4(1,13)10(20,21)7(2,16)8(5,17)6(2,15)9(3,18)19/h1H"	"KFDNXHKRTQRVGV-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"3982-20-5"	NA	NA	"Public_CrossChecked"	"O=C1CC(C(=O)N1)N1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C12H8N2O4/c15-9-5-8(10(16)13-9)14-11(17)6-3-1-2-4-7(6)12(14)18/h1-4,8H,5H2,(H,13,15,16)"	"VSNMIAXOGBPRIQ-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"3984-22-3"	"DTXSID4073334"	"1,3-Dioxolane, 2-ethenyl-"	"EPA_DSSTox"	"C=CC1OCCO1"	"?"	"InChI=1S/C5H8O2/c1-2-5-6-3-4-7-5/h2,5H,1,3-4H2"	"KKBHSBATGOQADJ-UHFFFAOYSA-N"	FALSE	FALSE	84.7	2	3
"398489-26-4"	"DTXSID90364022"	"1-Boc-3-azetidinone"	"EPA_DSSTox"	"CC(C)(C)OC(=O)N1CC(=O)C1"	"?"	"InChI=1S/C8H13NO3/c1-8(2,3)12-7(11)9-4-6(10)5-9/h4-5H2,1-3H3"	"VMKIXWAFFVLJCK-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"39864-15-8"	"DTXSID7052074"	"Nonanediyl diacetate"	"EPA_DSSTox"	"CC(=O)OCCCCCCCCCOC(C)=O"	"?"	"InChI=1S/C13H24O4/c1-12(14)16-10-8-6-4-3-5-7-9-11-17-13(2)15/h3-11H2,1-2H3"	"JAEVCKMMGIFOCL-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"39878-70-1"	"DTXSID0045468"	"Talampicillin hydrochloride"	"EPA_DSSTox"	"CC1(C)SC2C(NC(=O)C(N)C3C=CC=CC=3)C(=O)N2C1C(=O)OC1OC(=O)C2C=CC=CC=21"	"Cl"	"InChI=1S/C24H23N3O6S/c1-24(2)17(22(31)33-23-14-11-7-6-10-13(14)21(30)32-23)27-19(29)16(20(27)34-24)26-18(28)15(25)12-8-4-3-5-9-12/h3-11,15-17,20,23H,25H2,1-2H3,(H,26,28)"	"SOROUYSPFADXSN-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"39884-52-1"	"DTXSID9021473"	"N-Nitroso-1,3-oxazolidine"	"EPA_DSSTox"	"O=NN1COCC1"	"?"	"InChI=1S/C3H6N2O2/c6-4-5-1-2-7-3-5/h1-3H2"	"RJIPASZIRLEOEO-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"39885-14-8"	NA	NA	"Public_CrossChecked"	"COCN(C)N=O"	"?"	"InChI=1S/C3H8N2O2/c1-5(4-6)3-7-2/h3H2,1-2H3"	"CCHADYHJZUNBLT-UHFFFAOYSA-N"	FALSE	FALSE	700	3	4
"399-69-9"	"DTXSID50192944"	"Benzimidazole, 2,5-bis(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1NC2C=C(C=CC=2N=1)C(F)(F)F"	"?"	"InChI=1S/C9H4F6N2/c10-8(11,12)4-1-2-5-6(3-4)17-7(16-5)9(13,14)15/h1-3H,(H,16,17)"	"BKFXAUQYNCJXIZ-UHFFFAOYSA-N"	TRUE	FALSE	9.016	1	2
"399-77-9"	"DTXSID70192946"	"Benzimidazole, 5-methyl-2-(trifluoromethyl)-"	"EPA_DSSTox"	"CC1=CC2NC(=NC=2C=C1)C(F)(F)F"	"?"	"InChI=1S/C9H7F3N2/c1-5-2-3-6-7(4-5)14-8(13-6)9(10,11)12/h2-4H,1H3,(H,13,14)"	"OLLDPPSRICPSTA-UHFFFAOYSA-N"	FALSE	FALSE	63	2	3
"39900-95-3"	NA	NA	"Public_CrossChecked"	"CN(C)C1C=CC(C=NC2C=CC=CC=2C(O)=O)=CC=1"	"?"	"InChI=1S/C16H16N2O2/c1-18(2)13-9-7-12(8-10-13)11-17-15-6-4-3-5-14(15)16(19)20/h3-11H,1-2H3,(H,19,20)"	"POYMPTXRBMLDIL-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"39920-56-4"	NA	NA	"Public_CrossChecked"	"CCCCC(O)CCOC(C)=O"	"?"	"InChI=1S/C9H18O3/c1-3-4-5-9(11)6-7-12-8(2)10/h9,11H,3-7H2,1-2H3"	"WFLFWEJJPIIYBD-UHFFFAOYSA-N"	FALSE	TRUE	8350	4	5
"40018-25-5"	"DTXSID40370158"	"2-Chlorobenzoylacetonitrile"	"EPA_DSSTox"	"N#CCC(=O)C1=CC=CC=C1Cl"	"?"	"InChI=1S/C9H6ClNO/c10-8-4-2-1-3-7(8)9(12)5-6-11/h1-4H,5H2"	"SBSWHTFHLWSSQS-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"40036-79-1"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO"	"?"	"InChI=1S/C28H58O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-30-17-19-32-21-23-34-25-27-36-28-26-35-24-22-33-20-18-31-16-14-29/h29H,2-28H2,1H3"	"JEKWNQSRRXIGSA-UHFFFAOYSA-N"	FALSE	TRUE	2600	3	5
"4005-51-0"	"DTXSID50193113"	"2-Amino-1,3,4-thiadiazole"	"EPA_DSSTox"	"NC1=NN=CS1"	"?"	"InChI=1S/C2H3N3S/c3-2-5-4-1-6-2/h1H,(H2,3,5)"	"QUKGLNCXGVWCJX-UHFFFAOYSA-N"	FALSE	FALSE	253	2	3
"40054-69-1"	"DTXSID0023030"	"Etizolam"	"EPA_DSSTox"	"CC1=NN=C2CN=C(C3=CC=CC=C3Cl)C3C=C(CC)SC=3N12"	"?"	"InChI=1S/C17H15ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h4-8H,3,9H2,1-2H3"	"VMZUTJCNQWMAGF-UHFFFAOYSA-N"	FALSE	TRUE	3509	3	5
"4008-48-4"	"DTXSID4046284"	"Nitroxoline"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC=C(O)C2N=CC=CC1=2"	"?"	"InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H"	"RJIWZDNTCBHXAL-UHFFFAOYSA-N"	FALSE	FALSE	510	3	4
"40137-22-2"	NA	NA	"Public_CrossChecked"	"CNCC(O)CO"	"?"	"InChI=1S/C4H11NO2/c1-5-2-4(7)3-6/h4-7H,2-3H2,1H3"	"WOMTYMDHLQTCHY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"4016-14-2"	"DTXSID6025480"	"Isopropyl glycidyl ether"	"EPA_DSSTox"	"CC(C)OCC1CO1"	"?"	"InChI=1S/C6H12O2/c1-5(2)7-3-6-4-8-6/h5-6H,3-4H2,1-2H3"	"NWLUZGJDEZBBRH-UHFFFAOYSA-N"	FALSE	TRUE	4200	3	5
"40187-51-7"	"DTXSID2057736"	"5-Acetylsalicylamide"	"EPA_DSSTox"	"CC(=O)C1C=C(C(N)=O)C(O)=CC=1"	"?"	"InChI=1S/C9H9NO3/c1-5(11)6-2-3-8(12)7(4-6)9(10)13/h2-4,12H,1H3,(H2,10,13)"	"LWAQTCWTCCNHJR-UHFFFAOYSA-N"	FALSE	FALSE	1700	3	4
"402-31-3"	"DTXSID1059949"	"Benzene, 1,3-bis(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1C=C(C=CC=1)C(F)(F)F"	"?"	"InChI=1S/C8H4F6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-4H"	"SJBBXFLOLUTGCW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"40267-72-9"	"DTXSID1068223"	"2,6-Octadiene, 1-ethoxy-3,7-dimethyl-"	"EPA_DSSTox"	"CC(C)=CCCC(C)=CCOCC"	"?"	"InChI=1S/C12H22O/c1-5-13-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3"	"LOUIMJFJROISMD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"4028-32-4"	"DTXSID00889478"	"Disodium 4,4'-bis((4-(bis(2-hydroxyethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate"	"EPA_DSSTox"	"OS(=O)(=O)C1C=C(C=CC=1C=CC1C=CC(=CC=1S(O)(=O)=O)NC1=NC(Cl)=NC(=N1)N(CCO)CCO)NC1=NC(Cl)=NC(=N1)N(CCO)CCO"	"[Na+].[Na+]"	"InChI=1S/C28H32Cl2N10O10S2/c29-23-33-25(37-27(35-23)39(7-11-41)8-12-42)31-19-5-3-17(21(15-19)51(45,46)47)1-2-18-4-6-20(16-22(18)52(48,49)50)32-26-34-24(30)36-28(38-26)40(9-13-43)10-14-44/h1-6,15-16,41-44H,7-14H2,(H,45,46,47)(H,48,49,50)(H,31,33,35,37)(H,32,34,36,38)"	"FKJDCAVSTPSDJJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"40321-76-4"	"DTXSID7052078"	"1,2,3,7,8-Pentachlorodibenzo-p-dioxin"	"EPA_DSSTox"	"ClC1C=C2OC3C=C(Cl)C(Cl)=C(Cl)C=3OC2=CC=1Cl"	"?"	"InChI=1S/C12H3Cl5O2/c13-4-1-7-8(2-5(4)14)19-12-9(18-7)3-6(15)10(16)11(12)17/h1-3H"	"FSPZPQQWDODWAU-UHFFFAOYSA-N"	TRUE	FALSE	0.206	1	1
"4035-89-6"	"DTXSID6027555"	"Imidodicarbonic diamide, N,N',2-tris(6-isocyanatohexyl)-"	"EPA_DSSTox"	"O=C(NCCCCCCN=C=O)N(CCCCCCN=C=O)C(=O)NCCCCCCN=C=O"	"?"	"InChI=1S/C23H38N6O5/c30-19-24-13-7-1-3-10-16-27-22(33)29(18-12-6-5-9-15-26-21-32)23(34)28-17-11-4-2-8-14-25-20-31/h1-18H2,(H,27,33)(H,28,34)"	"QKOWXXDOHMJOMQ-UHFFFAOYSA-N"	FALSE	TRUE	19800	4	5
"40373-31-7"	"DTXSID00193360"	"1,3-Benzodioxol-4-ol, 2,2-diethyl-, methylcarbamate"	"EPA_DSSTox"	"CNC(=O)OC1=CC=CC2OC(CC)(CC)OC=21"	"?"	"InChI=1S/C13H17NO4/c1-4-13(5-2)17-10-8-6-7-9(11(10)18-13)16-12(15)14-3/h6-8H,4-5H2,1-3H3,(H,14,15)"	"KVNDSAYQVIIYLJ-UHFFFAOYSA-N"	TRUE	FALSE	46	1	2
"40373-39-5"	"DTXSID60193361"	"Carbamic acid, acetylmethyl-, 1,3-benzodioxol-4-yl ester"	"EPA_DSSTox"	"CC(=O)N(C)C(=O)OC1=CC=CC2OCOC=21"	"?"	"InChI=1S/C11H11NO5/c1-7(13)12(2)11(14)17-9-5-3-4-8-10(9)16-6-15-8/h3-5H,6H2,1-2H3"	"UOABOWHUGUKRNP-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"40374-14-9"	NA	NA	"Public_CrossChecked"	"CC(=O)N(C)C(=O)OC1C=CC=C2OC(CC)(CC)OC=12"	"?"	"InChI=1S/C15H19NO5/c1-5-15(6-2)20-12-9-7-8-11(13(12)21-15)19-14(18)16(4)10(3)17/h7-9H,5-6H2,1-4H3"	"NQQWCDMYWSQASG-UHFFFAOYSA-N"	FALSE	FALSE	375	2	4
"40374-15-0"	NA	NA	"Public_CrossChecked"	"CC(C)(C)C1(C)OC2C(=CC=CC=2OC(=O)N(C)C(C)=O)O1"	"?"	"InChI=1S/C16H21NO5/c1-10(18)17(6)14(19)20-11-8-7-9-12-13(11)22-16(5,21-12)15(2,3)4/h7-9H,1-6H3"	"WQHPLOJGHXJQEE-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"40374-16-1"	"DTXSID00193365"	"Carbamic acid, methyl(1-oxobutyl)-, 1,3-benzodioxol-4-yl ester"	"EPA_DSSTox"	"CCCC(=O)N(C)C(=O)OC1=CC=CC2OCOC=21"	"?"	"InChI=1S/C13H15NO5/c1-3-5-11(15)14(2)13(16)19-10-7-4-6-9-12(10)18-8-17-9/h4,6-7H,3,5,8H2,1-2H3"	"MVGLHIJICQLVSH-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"40374-17-2"	"DTXSID60193366"	"Carbamic acid, acetylmethyl-, spiro(1,3-benzodioxole-2,1'-cyclopentan)-4-yl ester"	"EPA_DSSTox"	"CC(=O)N(C)C(=O)OC1=CC=CC2OC3(CCCC3)OC=21"	"?"	"InChI=1S/C15H17NO5/c1-10(17)16(2)14(18)19-11-6-5-7-12-13(11)21-15(20-12)8-3-4-9-15/h5-7H,3-4,8-9H2,1-2H3"	"JLDSAEKNILZWDY-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"40374-20-7"	"DTXSID20193367"	"Carbamic acid, acetyl-2-propenyl-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester"	"EPA_DSSTox"	"CC(=O)N(CC=C)C(=O)OC1=CC=CC2OC(C)(C)OC=21"	"?"	"InChI=1S/C15H17NO5/c1-5-9-16(10(2)17)14(18)19-11-7-6-8-12-13(11)21-15(3,4)20-12/h5-8H,1,9H2,2-4H3"	"IXEAIQUGHDOTLR-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"404-42-2"	"DTXSID60193402"	"Acetanilide, 2,4'-difluoro-"	"EPA_DSSTox"	"O=C(CF)NC1=CC=C(F)C=C1"	"?"	"InChI=1S/C8H7F2NO/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5H2,(H,11,12)"	"MKJKVKAZGNVUKW-UHFFFAOYSA-N"	TRUE	FALSE	2	1	1
"404-86-4"	"DTXSID9020241"	"Capsaicin"	"EPA_DSSTox"	"COC1C=C(CNC(=O)CCCCC=CC(C)C)C=CC=1O"	"?"	"InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)"	"YKPUWZUDDOIDPM-UHFFFAOYSA-N"	FALSE	FALSE	148.1	2	3
"405-30-1"	"DTXSID6041979"	"Fluorbenside"	"EPA_DSSTox"	"FC1=CC=C(C=C1)SCC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C13H10ClFS/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2"	"GBZXOIUBLKUSJR-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"40507-23-1"	"DTXSID70193519"	"Fluproquazone"	"EPA_DSSTox"	"CC1C=CC2=C(C=1)N(C(C)C)C(=O)N=C2C1C=CC(F)=CC=1"	"?"	"InChI=1S/C18H17FN2O/c1-11(2)21-16-10-12(3)4-9-15(16)17(20-18(21)22)13-5-7-14(19)8-6-13/h4-11H,1-3H3"	"ZWOUXWWGKJBAHQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"40507-80-0"	NA	NA	"Public_CrossChecked"	"C1CN=C(NC2C=CC=C3CCCC3=2)N1"	"Cl"	"InChI=1S/C12H15N3/c1-3-9-4-2-6-11(10(9)5-1)15-12-13-7-8-14-12/h2,4,6H,1,3,5,7-8H2,(H2,13,14,15)"	"KUCWWEPJRBANHL-UHFFFAOYSA-N"	FALSE	FALSE	481	2	4
"40507-94-6"	"DTXSID60193523"	"2(3H)-Benzoxazolone, 6-chloro-3-(chloromethyl)-"	"EPA_DSSTox"	"O=C1OC2C=C(Cl)C=CC=2N1CCl"	"?"	"InChI=1S/C8H5Cl2NO2/c9-4-11-6-2-1-5(10)3-7(6)13-8(11)12/h1-3H,4H2"	"DNIHQVLDLSLGQP-UHFFFAOYSA-N"	FALSE	TRUE	2350	3	5
"4051-63-2"	"DTXSID2052079"	"Pigment Red 177"	"EPA_DSSTox"	"NC1C=CC(=C2C=1C(=O)C1C=CC=CC=1C2=O)C1=CC=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O"	"?"	"InChI=1S/C28H16N2O4/c29-19-11-9-13(21-23(19)27(33)17-7-3-1-5-15(17)25(21)31)14-10-12-20(30)24-22(14)26(32)16-6-2-4-8-18(16)28(24)34/h1-12H,29-30H2"	"KNMQFBWXSICVQC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"4052-92-0"	"DTXSID6063278"	"Benzoyl chloride, 3-(chlorosulfonyl)-"	"EPA_DSSTox"	"O=C(Cl)C1C=C(C=CC=1)S(=O)(=O)Cl"	"?"	"InChI=1S/C7H4Cl2O3S/c8-7(10)5-2-1-3-6(4-5)13(9,11)12/h1-4H"	"XWEBTVZIZWEJOO-UHFFFAOYSA-N"	FALSE	FALSE	1780	3	4
"4053-08-1"	"DTXSID1063279"	"4-Chloronapthalic anhydride"	"EPA_DSSTox"	"O=C1OC(=O)C2=CC=C(Cl)C3C=CC=C1C=32"	"?"	"InChI=1S/C12H5ClO3/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)16-12(8)15/h1-5H"	"UJEUBSWHCGDJQU-UHFFFAOYSA-N"	FALSE	TRUE	3460	3	5
"40552-84-9"	"DTXSID30885807"	"Butanoic acid, 3-oxo-, 1-phenylethyl ester"	"EPA_DSSTox"	"CC(=O)CC(=O)OC(C)C1C=CC=CC=1"	"?"	"InChI=1S/C12H14O3/c1-9(13)8-12(14)15-10(2)11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3"	"GSBJXOIVIOYPOW-UHFFFAOYSA-N"	FALSE	TRUE	5450	4	5
"40553-78-4"	NA	NA	"Public_CrossChecked"	"COC1=CC(=CC(OC)=C1O)C1C2C(COC2=O)C(OC2OC3COC(OC3C(O)C2O)C2C=CC=CC=2)C2C=C3OCOC3=CC=21"	"?"	"InChI=1S/C34H34O13/c1-39-22-8-16(9-23(40-2)27(22)35)25-17-10-20-21(44-14-43-20)11-18(17)30(19-12-41-32(38)26(19)25)46-34-29(37)28(36)31-24(45-34)13-42-33(47-31)15-6-4-3-5-7-15/h3-11,19,24-26,28-31,33-37H,12-14H2,1-2H3"	"RHRMTILDFUYBOD-UHFFFAOYSA-N"	FALSE	FALSE	823	3	4
"4056-77-3"	NA	NA	"Public_CrossChecked"	"CCCCOC(=O)C1CC(CC1)C(=O)OCCCC"	"?"	"InChI=1S/C15H26O4/c1-3-5-9-18-14(16)12-7-8-13(11-12)15(17)19-10-6-4-2/h12-13H,3-11H2,1-2H3"	"SQXYSKZWZUMGMF-UHFFFAOYSA-N"	FALSE	TRUE	6500	4	5
"40575-34-6"	"DTXSID60876304"	"PHENOPYLATE"	"EPA_DSSTox"	"O=C(OC1C=CC(Cl)=CC=1Cl)N1CCCC1"	"?"	"InChI=1S/C11H11Cl2NO2/c12-8-3-4-10(9(13)7-8)16-11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2"	"WKMRIBJBDSRIMJ-UHFFFAOYSA-N"	FALSE	TRUE	2200	3	5
"40580-61-8"	"DTXSID60193588"	"Carbonic acid, 1-methylethyl-, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester"	"EPA_DSSTox"	"CC1C=C(C)C=C(C)C=1C1=C(OC(=O)OC(C)C)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C22H22O4/c1-12(2)25-22(24)26-21-17-9-7-6-8-16(17)20(23)19(21)18-14(4)10-13(3)11-15(18)5/h6-12H,1-5H3"	"ZJFVYFWOHMZGMZ-UHFFFAOYSA-N"	FALSE	FALSE	707	3	4
"40580-62-9"	"DTXSID20193589"	"Propanoic acid, 2,2-dimethyl-, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester"	"EPA_DSSTox"	"CC1C=C(C)C=C(C)C=1C1=C(OC(=O)C(C)(C)C)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C23H24O3/c1-13-11-14(2)18(15(3)12-13)19-20(24)16-9-7-8-10-17(16)21(19)26-22(25)23(4,5)6/h7-12H,1-6H3"	"SJUPIIFHXYAINX-UHFFFAOYSA-N"	FALSE	TRUE	8000	4	5
"40596-80-3"	"DTXSID3042502"	"Triprene"	"EPA_DSSTox"	"CC(C=CCC(C)CCCC(C)(C)OC)=CC(=O)SCC"	"?"	"InChI=1S/C18H32O2S/c1-7-21-17(19)14-16(3)11-8-10-15(2)12-9-13-18(4,5)20-6/h8,11,14-15H,7,9-10,12-13H2,1-6H3"	"YGBMMMOLNODPBP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"40601-76-1"	"DTXSID8028008"	"1,3,5-Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazinane-2,4,6-trione"	"EPA_DSSTox"	"CC(C)(C)C1C=C(C)C(CN2C(=O)N(CC3=C(C)C(O)=C(C=C3C)C(C)(C)C)C(=O)N(CC3=C(C)C(O)=C(C=C3C)C(C)(C)C)C2=O)=C(C)C=1O"	"?"	"InChI=1S/C42H57N3O6/c1-22-16-31(40(7,8)9)34(46)25(4)28(22)19-43-37(49)44(20-29-23(2)17-32(41(10,11)12)35(47)26(29)5)39(51)45(38(43)50)21-30-24(3)18-33(42(13,14)15)36(48)27(30)6/h16-18,46-48H,19-21H2,1-15H3"	"XYXJKPCGSGVSBO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"40618-31-3"	"DTXSID4068242"	"2-Naphthalenecarboxamide, N,N'-(2,5-dichloro-1,4-phenylene)bis[4-[(2,5-dichlorophenyl)azo]-3-hydroxy-"	"EPA_DSSTox"	"OC1=C(N=NC2C=C(Cl)C=CC=2Cl)C2=CC=CC=C2C=C1C(=O)NC1C=C(Cl)C(=CC=1Cl)NC(=O)C1=CC2=CC=CC=C2C(N=NC2C=C(Cl)C=CC=2Cl)=C1O"	"?"	"InChI=1S/C40H22Cl6N6O4/c41-21-9-11-27(43)33(15-21)49-51-35-23-7-3-1-5-19(23)13-25(37(35)53)39(55)47-31-17-30(46)32(18-29(31)45)48-40(56)26-14-20-6-2-4-8-24(20)36(38(26)54)52-50-34-16-22(42)10-12-28(34)44/h1-18,53-54H,(H,47,55)(H,48,56)"	"BNOJIFCMRRONPS-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"40618-52-8"	NA	NA	"Public_CrossChecked"	"COP(=S)(CC)OC(C)CC"	"?"	"InChI=1S/C7H17O2PS/c1-5-7(3)9-10(11,6-2)8-4/h7H,5-6H2,1-4H3"	"OVHXSGQXSCKHTD-UHFFFAOYSA-N"	TRUE	FALSE	7	1	2
"40626-35-5"	"DTXSID7058090"	"Heterophos"	"EPA_DSSTox"	"CCOP(=O)(OC1C=CC=CC=1)SCCC"	"?"	"InChI=1S/C11H17O3PS/c1-3-10-16-15(12,13-4-2)14-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3"	"XRAFOYUFLGWMQB-UHFFFAOYSA-N"	FALSE	FALSE	295	2	3
"40643-36-5"	"DTXSID20193645"	"Triazene, 1-(p-bromophenyl)-3-methyl-"	"EPA_DSSTox"	"C/N=N/NC1=CC=C(Br)C=C1"	"?"	"InChI=1S/C7H8BrN3/c1-9-11-10-7-4-2-6(8)3-5-7/h2-5H,1H3,(H,9,10)"	"WWGBAHUOOPNMBT-UHFFFAOYSA-N"	FALSE	FALSE	466.7	2	4
"40643-39-8"	"DTXSID40193647"	"1-(4-Nitrophenyl)-3-methyltriazene"	"EPA_DSSTox"	"C/N=N/NC1=CC=C(C=C1)[N+]([O-])=O"	"?"	"InChI=1S/C7H8N4O2/c1-8-10-9-6-2-4-7(5-3-6)11(12)13/h2-5H,1H3,(H,8,9)"	"BDSNQOSDUXHMCI-UHFFFAOYSA-N"	FALSE	FALSE	467.8	2	4
"4065-45-6"	"DTXSID2042436"	"Sulisobenzone"	"EPA_DSSTox"	"COC1=CC(O)=C(C=C1S(O)(=O)=O)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19)"	"CXVGEDCSTKKODG-UHFFFAOYSA-N"	FALSE	TRUE	3530	3	5
"4066-02-8"	"DTXSID6052081"	"2,2'-Methanediylbis(6-cyclohexyl-4-methylphenol)"	"EPA_DSSTox"	"CC1C=C(CC2C=C(C)C=C(C3CCCCC3)C=2O)C(O)=C(C=1)C1CCCCC1"	"?"	"InChI=1S/C27H36O2/c1-18-13-22(26(28)24(15-18)20-9-5-3-6-10-20)17-23-14-19(2)16-25(27(23)29)21-11-7-4-8-12-21/h13-16,20-21,28-29H,3-12,17H2,1-2H3"	"AKNMPWVTPUHKCG-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"406679-89-8"	NA	NA	"Public_CrossChecked"	"C[Si](CN=C=O)(OC)OC"	"?"	"InChI=1S/C5H11NO3Si/c1-8-10(3,9-2)5-6-4-7/h5H2,1-3H3"	"HENJUOQEQGBPSV-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	NA
"4067-01-0"	"DTXSID30193656"	"Maleimide, N-o-tolyl-"	"EPA_DSSTox"	"CC1C=CC=CC=1N1C(=O)C=CC1=O"	"?"	"InChI=1S/C11H9NO2/c1-8-4-2-3-5-9(8)12-10(13)6-7-11(12)14/h2-7H,1H3"	"QYOJZFBQEAZNEW-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"4067-16-7"	"DTXSID7025843"	"Pentaethylenehexamine"	"EPA_DSSTox"	"NCCNCCNCCNCCNCCN"	"?"	"InChI=1S/C10H28N6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h13-16H,1-12H2"	"LSHROXHEILXKHM-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"40691-09-6"	NA	NA	"Public_CrossChecked"	"OS(=O)(=O)C1C=CC(=CC=1)N1N=C(CC1C1C=CC=CC=1)C1C=CC(Cl)=CC=1"	"[Na+]"	"InChI=1S/C21H17ClN2O3S/c22-17-8-6-15(7-9-17)20-14-21(16-4-2-1-3-5-16)24(23-20)18-10-12-19(13-11-18)28(25,26)27/h1-13,21H,14H2,(H,25,26,27)"	"DNEVQXXTGYPYTA-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"40718-29-4"	NA	NA	"Public_CrossChecked"	"OC(=O)CNC(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C15H15NO2/c17-14(18)11-16-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15-16H,11H2,(H,17,18)"	"SRJQBBLGTWTOEB-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"4074-88-8"	"DTXSID3025045"	"Diethylene glycol diacrylate"	"EPA_DSSTox"	"C=CC(=O)OCCOCCOC(=O)C=C"	"?"	"InChI=1S/C10H14O5/c1-3-9(11)14-7-5-13-6-8-15-10(12)4-2/h3-4H,1-2,5-8H2"	"LEJBBGNFPAFPKQ-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"4074-90-2"	"DTXSID7074248"	"Hexanedioic acid, diethenyl ester"	"EPA_DSSTox"	"C=COC(=O)CCCCC(=O)OC=C"	"?"	"InChI=1S/C10H14O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-4H,1-2,5-8H2"	"JZQAAQZDDMEFGZ-UHFFFAOYSA-N"	FALSE	TRUE	6400	4	5
"4076-62-4"	NA	NA	"Public_CrossChecked"	"CC=CC=CC(=O)NO"	"?"	"InChI=1S/C6H9NO2/c1-2-3-4-5-6(8)7-9/h2-5,9H,1H3,(H,7,8)"	"AKPBWCUNVIPWOM-UHFFFAOYSA-N"	FALSE	TRUE	2460	3	5
"40762-15-0"	"DTXSID2020551"	"Doxefazepam"	"EPA_DSSTox"	"OCCN1C(=O)C(O)N=C(C2=CC=CC=C2F)C2=CC(Cl)=CC=C12"	"?"	"InChI=1S/C17H14ClFN2O3/c18-10-5-6-14-12(9-10)15(11-3-1-2-4-13(11)19)20-16(23)17(24)21(14)7-8-22/h1-6,9,16,22-23H,7-8H2"	"VOJLELRQLPENHL-UHFFFAOYSA-N"	FALSE	TRUE	2550	3	5
"40766-31-2"	NA	NA	"Public_CrossChecked"	"CC1C=CC=C(C(C)C2C=CC=CC=2)C=1C"	"?"	"InChI=1S/C16H18/c1-12-8-7-11-16(13(12)2)14(3)15-9-5-4-6-10-15/h4-11,14H,1-3H3"	"GNPWYHFXSMINJQ-UHFFFAOYSA-N"	FALSE	TRUE	2050	3	5
"4080-31-3"	"DTXSID5024760"	"N-(3-Chloroallyl)hexaminium chloride"	"EPA_DSSTox"	"ClC=CC[N+]12CN3CN(C1)CN(C2)C3"	"[Cl-]"	"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"	"LDLCEGCJYSDJLX-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"40828-46-4"	"DTXSID5045469"	"Suprofen"	"EPA_DSSTox"	"CC(C(O)=O)C1C=CC(=CC=1)C(=O)C1=CC=CS1"	"?"	"InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)"	"MDKGKXOCJGEUJW-UHFFFAOYSA-N"	FALSE	FALSE	70.6	2	3
"4083-64-1"	"DTXSID1027558"	"4-Methylbenzenesulfonyl isocyanate"	"EPA_DSSTox"	"CC1=CC=C(C=C1)S(=O)(=O)N=C=O"	"?"	"InChI=1S/C8H7NO3S/c1-7-2-4-8(5-3-7)13(11,12)9-6-10/h2-5H,1H3"	"VLJQDHDVZJXNQL-UHFFFAOYSA-N"	FALSE	TRUE	2234	3	5
"40843-25-2"	"DTXSID5041859"	"Diclofop"	"EPA_DSSTox"	"CC(OC1C=CC(=CC=1)OC1C=CC(Cl)=CC=1Cl)C(O)=O"	"?"	"InChI=1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)"	"OOLBCHYXZDXLDS-UHFFFAOYSA-N"	FALSE	FALSE	563	3	4
"40843-82-1"	"DTXSID60193821"	"Triazene, 1-(p-chlorophenyl)-3-methyl-"	"EPA_DSSTox"	"C/N=N/NC1=CC=C(Cl)C=C1"	"?"	"InChI=1S/C7H8ClN3/c1-9-11-10-7-4-2-6(8)3-5-7/h2-5H,1H3,(H,9,10)"	"VIOUCROVGDHEKX-UHFFFAOYSA-N"	FALSE	FALSE	328.6	2	4
"4089-07-0"	NA	NA	"Public_CrossChecked"	"CCOC(=O)C(N)CC1C=CC(O)=CC=1"	"Cl"	"InChI=1S/C11H15NO3/c1-2-15-11(14)10(12)7-8-3-5-9(13)6-4-8/h3-6,10,13H,2,7,12H2,1H3"	"SBBWEQLNKVHYCX-UHFFFAOYSA-N"	FALSE	TRUE	13800	4	5
"409-21-2"	"DTXSID5052751"	"Silicon carbide"	"EPA_DSSTox"	"C#[SiH2+]"	"?"	"InChI=1S/CH3Si/c1-2/h1H,2H2/q+1"	"FIAMCEKJJFRWKY-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"4091-14-9"	"DTXSID60193902"	"Acetamide, N-phenyl-N-vinyl-"	"EPA_DSSTox"	"CC(=O)N(C=C)C1C=CC=CC=1"	"?"	"InChI=1S/C10H11NO/c1-3-11(9(2)12)10-7-5-4-6-8-10/h3-8H,1H2,2H3"	"WUIIRPAMGBRKCV-UHFFFAOYSA-N"	FALSE	TRUE	2460	3	5
"40910-49-4"	"DTXSID20866024"	"1,6-Octadiene, 3-(1-ethoxyethoxy)-3,7-dimethyl-"	"EPA_DSSTox"	"CCOC(C)OC(C)(CCC=C(C)C)C=C"	"?"	"InChI=1S/C14H26O2/c1-7-14(6,11-9-10-12(3)4)16-13(5)15-8-2/h7,10,13H,1,8-9,11H2,2-6H3"	"ZJPKYCLAROITRY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"40915-86-4"	"DTXSID60193922"	"Isothiazolo(3,4-d)pyrimidine-4-one, 6-tert-butyl-3-isopropyl-"	"EPA_DSSTox"	"CC(C)(C)C1N=C2NSC(C(C)C)=C2C(=O)N=1"	"?"	"InChI=1S/C12H17N3OS/c1-6(2)8-7-9(15-17-8)13-11(12(3,4)5)14-10(7)16/h6H,1-5H3,(H,13,14,15,16)"	"VDGPSIMLGXDPQE-UHFFFAOYSA-N"	FALSE	TRUE	10200	4	5
"4092-75-5"	"DTXSID80193924"	"Carbonic acid, dithio-, anhydrosulfide, O,O-dibutyl ester"	"EPA_DSSTox"	"CCCCOC(=S)SC(=S)OCCCC"	"?"	"InChI=1S/C10H18O2S3/c1-3-5-7-11-9(13)15-10(14)12-8-6-4-2/h3-8H2,1-2H3"	"HKVCKTCLLPVCKU-UHFFFAOYSA-N"	FALSE	FALSE	1400	3	4
"4093-35-0"	"DTXSID0045383"	"Bromopride"	"EPA_DSSTox"	"COC1=CC(N)=C(Br)C=C1C(=O)NCCN(CC)CC"	"?"	"InChI=1S/C14H22BrN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)"	"GIYAQDDTCWHPPL-UHFFFAOYSA-N"	FALSE	FALSE	545	3	4
"40942-73-2"	"DTXSID00866027"	"Cyclopentanone, 3-(2-oxopropyl)-2-pentyl-"	"EPA_DSSTox"	"CC(=O)CC1CCC(=O)C1CCCCC"	"?"	"InChI=1S/C13H22O2/c1-3-4-5-6-12-11(9-10(2)14)7-8-13(12)15/h11-12H,3-9H2,1-2H3"	"PMVDYAQAPLAXSY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"4095-32-3"	NA	NA	"Public_CrossChecked"	"CC(C)SSC(Cl)C(Cl)Cl"	"?"	"InChI=1S/C5H9Cl3S2/c1-3(2)9-10-5(8)4(6)7/h3-5H,1-2H3"	"CCVBOQAQIZDRRY-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"4097-89-6"	"DTXSID4063296"	"1,2-Ethanediamine, N,N-bis(2-aminoethyl)-"	"EPA_DSSTox"	"NCCN(CCN)CCN"	"?"	"InChI=1S/C6H18N4/c7-1-4-10(5-2-8)6-3-9/h1-9H2"	"MBYLVOKEDDQJDY-UHFFFAOYSA-N"	FALSE	FALSE	246	2	3
"4098-71-9"	"DTXSID0023826"	"Isophorone diisocyanate"	"EPA_DSSTox"	"CC1(C)CC(CC(C)(C1)CN=C=O)N=C=O"	"?"	"InChI=1S/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3"	"NIMLQBUJDJZYEJ-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"41035-29-4"	"DTXSID30194007"	"Benzimidazole, 4,7-dibromo-5,6-dichloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1NC2C(N=1)=C(Br)C(Cl)=C(Cl)C=2Br"	"?"	"InChI=1S/C8HBr2Cl2F3N2/c9-1-3(11)4(12)2(10)6-5(1)16-7(17-6)8(13,14)15/h(H,16,17)"	"ANVVSVJVHZJQCX-UHFFFAOYSA-N"	TRUE	FALSE	3.434	1	1
"4104-03-4"	NA	NA	"Public_CrossChecked"	"COP(=S)(SCCC)SCCC"	"?"	"InChI=1S/C7H17OPS3/c1-4-6-11-9(10,8-3)12-7-5-2/h4-7H2,1-3H3"	"MHXLFSCMPIFFLS-UHFFFAOYSA-N"	TRUE	FALSE	16	1	2
"4104-14-7"	"DTXSID5040330"	"Phosacetim"	"EPA_DSSTox"	"[H]/N=C(\C)/NP(=S)(OC1=CC=C(Cl)C=C1)OC1=CC=C(Cl)C=C1"	"?"	"InChI=1S/C14H13Cl2N2O2PS/c1-10(17)18-21(22,19-13-6-2-11(15)3-7-13)20-14-8-4-12(16)5-9-14/h2-9H,1H3,(H2,17,18,22)"	"XIBXUAZIZXDFTG-UHFFFAOYSA-N"	TRUE	FALSE	3.7	1	1
"41078-02-8"	"DTXSID9045186"	"Enprofylline"	"EPA_DSSTox"	"CCCN1C(=O)NC(=O)C2NC=NC1=2"	"?"	"InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)"	"SIQPXVQCUCHWDI-UHFFFAOYSA-N"	FALSE	FALSE	481	2	4
"4110-66-1"	"DTXSID80194052"	"Benzo-tepa"	"EPA_DSSTox"	"O=C(NP(=O)(N1CC1)N1CC1)C1C=CC=CC=1"	"?"	"InChI=1S/C11H14N3O2P/c15-11(10-4-2-1-3-5-10)12-17(16,13-6-7-13)14-8-9-14/h1-5H,6-9H2,(H,12,15,16)"	"BRZOTEHEMOQUOY-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"41123-69-7"	"DTXSID0068282"	"Ethanol, 2,2'-[methylenebis(sulfonyl)]bis-"	"EPA_DSSTox"	"OCCS(=O)(=O)CS(=O)(=O)CCO"	"?"	"InChI=1S/C5H12O6S2/c6-1-3-12(8,9)5-13(10,11)4-2-7/h6-7H,1-5H2"	"FBKUSAIWUANQNH-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"41131-65-1"	"DTXSID50194069"	"N,N'-(2-Chloro-5-methyl-1,4-phenylene)bis(3-oxobutyramide)"	"EPA_DSSTox"	"CC(=O)CC(=O)NC1C=C(C)C(=CC=1Cl)NC(=O)CC(C)=O"	"?"	"InChI=1S/C15H17ClN2O4/c1-8-4-13(18-15(22)6-10(3)20)11(16)7-12(8)17-14(21)5-9(2)19/h4,7H,5-6H2,1-3H3,(H,17,21)(H,18,22)"	"BXICAEQXJKTNSD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"4116-10-3"	"DTXSID70884036"	"Butanamide, 2-chloro-N-methyl-3-oxo-"	"EPA_DSSTox"	"CC(=O)C(Cl)C(=O)NC"	"?"	"InChI=1S/C5H8ClNO2/c1-3(8)4(6)5(9)7-2/h4H,1-2H3,(H,7,9)"	"XIWMZCRVSYHMER-UHFFFAOYSA-N"	FALSE	FALSE	700	3	4
"4117-90-2"	"DTXSID90194104"	"1,4-Benzenediamine, N-(4-aminophenyl)-N-phenyl-"	"EPA_DSSTox"	"NC1C=CC(=CC=1)N(C1C=CC=CC=1)C1C=CC(N)=CC=1"	"?"	"InChI=1S/C18H17N3/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H,19-20H2"	"YFBMJEBQWQBRQJ-UHFFFAOYSA-N"	FALSE	FALSE	330	2	4
"41205-21-4"	"DTXSID7058092"	"Fluoroimide"	"EPA_DSSTox"	"O=C1C(Cl)=C(Cl)C(=O)N1C1C=CC(F)=CC=1"	"?"	"InChI=1S/C10H4Cl2FNO2/c11-7-8(12)10(16)14(9(7)15)6-3-1-5(13)2-4-6/h1-4H"	"IPENDKRRWFURRE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"41206-16-0"	"DTXSID7052864"	"2-Hydroxypropyl methanethiolsulfonate"	"EPA_DSSTox"	"CC(O)COS(C)(=O)=S"	"?"	"InChI=1S/C4H10O3S2/c1-4(5)3-7-9(2,6)8/h4-5H,3H2,1-2H3"	"MHKJBDXQSICTIK-UHFFFAOYSA-N"	FALSE	FALSE	794	3	4
"41208-07-5"	"DTXSID30194128"	"6,6'-Methylene bis(2,2,4-trimethyl-1,2-dihydroquinoline)"	"EPA_DSSTox"	"CC1(C)C=C(C)C2C=C(CC3=CC4=C(C=C3)NC(C)(C)C=C4C)C=CC=2N1"	"?"	"InChI=1S/C25H30N2/c1-16-14-24(3,4)26-22-9-7-18(12-20(16)22)11-19-8-10-23-21(13-19)17(2)15-25(5,6)27-23/h7-10,12-15,26-27H,11H2,1-6H3"	"ADHZMOYUJKFKSE-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"41219-30-1"	NA	NA	"Public_CrossChecked"	"COP(=S)(OC)SC1CCSC2=CC=C(Cl)C=C21"	"?"	"InChI=1S/C11H14ClO2PS3/c1-13-15(16,14-2)18-11-5-6-17-10-4-3-8(12)7-9(10)11/h3-4,7,11H,5-6H2,1-2H3"	"UHLKOAKPRBMJRU-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"41219-31-2"	"DTXSID2058093"	"Dithicrofos"	"EPA_DSSTox"	"CCOP(=S)(OCC)SC1CCSC2=CC=C(Cl)C=C21"	"?"	"InChI=1S/C13H18ClO2PS3/c1-3-15-17(18,16-4-2)20-13-7-8-19-12-6-5-10(14)9-11(12)13/h5-6,9,13H,3-4,7-8H2,1-2H3"	"QNZZKGBRJAVCIQ-UHFFFAOYSA-N"	FALSE	FALSE	63	2	3
"4124-30-5"	"DTXSID5041011"	"Dichloroacetic anhydride"	"EPA_DSSTox"	"O=C(OC(=O)C(Cl)Cl)C(Cl)Cl"	"?"	"InChI=1S/C4H2Cl4O3/c5-1(6)3(9)11-4(10)2(7)8/h1-2H"	"RQHMQURGSQBBJY-UHFFFAOYSA-N"	FALSE	TRUE	2820	3	5
"4126-58-3"	NA	NA	"Public_CrossChecked"	"CCCCC(COCCC(O)=O)CC"	"?"	"InChI=1S/C11H22O3/c1-3-5-6-10(4-2)9-14-8-7-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)"	"YDFFAJUOABOCFU-UHFFFAOYSA-N"	FALSE	TRUE	3730	3	5
"4129-17-3"	"DTXSID40194275"	"Phosphinic azide, diphenyl-"	"EPA_DSSTox"	"N=[N+]=NP(=O)(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C12H11N3OP/c13-14-15-17(16,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H/q+1"	"NXDHUTYBGNDDRD-UHFFFAOYSA-N"	FALSE	FALSE	240	2	3
"41294-56-8"	"DTXSID0022569"	"Alfacalcidol"	"EPA_DSSTox"	"CC(C)CCCC(C)C1CCC2C(CCCC21C)=CC=C1CC(O)CC(O)C1=C"	"?"	"InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3"	"OFHCOWSQAMBJIW-UHFFFAOYSA-N"	TRUE	FALSE	0.34	1	1
"41295-28-7"	"DTXSID80194279"	"Methoxyphenone"	"EPA_DSSTox"	"COC1C=CC(=CC=1C)C(=O)C1=CC(C)=CC=C1"	"?"	"InChI=1S/C16H16O2/c1-11-5-4-6-13(9-11)16(17)14-7-8-15(18-3)12(2)10-14/h4-10H,1-3H3"	"BWPYBAJTDILQPY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"41340-25-4"	"DTXSID9020615"	"Etodolac"	"EPA_DSSTox"	"CCC1(CC(O)=O)OCCC2C3C=CC=C(CC)C=3NC1=2"	"?"	"InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)"	"NNYBQONXHNTVIJ-UHFFFAOYSA-N"	FALSE	FALSE	94	2	3
"41363-50-2"	NA	NA	"Public_CrossChecked"	"CC(C1C=CC(=CC=1)C1C=CC=CC=1)C(=O)OCCCS(O)(=O)=O"	"[Na+]"	"InChI=1S/C18H20O5S/c1-14(18(19)23-12-5-13-24(20,21)22)15-8-10-17(11-9-15)16-6-3-2-4-7-16/h2-4,6-11,14H,5,12-13H2,1H3,(H,20,21,22)"	"MGQFZUJXQCNRQJ-UHFFFAOYSA-N"	FALSE	FALSE	280	2	3
"41394-05-2"	"DTXSID7047568"	"Metamitron"	"EPA_DSSTox"	"CC1=NN=C(C(=O)N1N)C1C=CC=CC=1"	"?"	"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"	FALSE	FALSE	1183	3	4
"41407-89-0"	NA	NA	"Public_CrossChecked"	"NC(C(O)=O)C1C=CC=CC=1"	"[K+]"	"InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)"	"ZGUNAGUHMKGQNY-UHFFFAOYSA-N"	FALSE	TRUE	3030	3	5
"41414-75-9"	NA	NA	"Public_CrossChecked"	"CC(COC(C)=O)=CCCC1(C)C2CC3C(C2)C13C"	"?"	"InChI=1S/C17H26O2/c1-11(10-19-12(2)18)6-5-7-16(3)13-8-14-15(9-13)17(14,16)4/h6,13-15H,5,7-10H2,1-4H3"	"IXRPKRWXUJOOBZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"41424-11-7"	"DTXSID6068307"	"[1,1'-Biphenyl]-4-carbonitrile, 4'-(hexyloxy)-"	"EPA_DSSTox"	"CCCCCCOC1C=CC(=CC=1)C1C=CC(=CC=1)C#N"	"?"	"InChI=1S/C19H21NO/c1-2-3-4-5-14-21-19-12-10-18(11-13-19)17-8-6-16(15-20)7-9-17/h6-13H,2-5,14H2,1H3"	"YUYXUPYNSOFWFV-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"41438-38-4"	NA	NA	"Public_CrossChecked"	"CCOC(=O)C1C=C(C=CN=1)C(=O)OCC"	"?"	"InChI=1S/C11H13NO4/c1-3-15-10(13)8-5-6-12-9(7-8)11(14)16-4-2/h5-7H,3-4H2,1-2H3"	"MUUDQLHCIAOWPR-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"41468-25-1"	"DTXSID7046594"	"Pyridoxal phosphate hydrate"	"EPA_DSSTox"	"CC1N=CC(COP(O)(O)=O)=C(C=O)C=1O"	"O"	"InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)"	"NGVDGCNFYWLIFO-UHFFFAOYSA-N"	FALSE	TRUE	5900	4	5
"4147-51-7"	"DTXSID9037533"	"Dipropetryn"	"EPA_DSSTox"	"CCSC1N=C(NC(C)C)N=C(NC(C)C)N=1"	"?"	"InChI=1S/C11H21N5S/c1-6-17-11-15-9(12-7(2)3)14-10(16-11)13-8(4)5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16)"	"NPWMZOGDXOFZIN-UHFFFAOYSA-N"	FALSE	TRUE	3900	3	5
"41484-35-9"	"DTXSID7028011"	"Thioethylene glycol bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)"	"EPA_DSSTox"	"CC(C)(C)C1=CC(CCC(=O)OCCSCCOC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C"	"?"	"InChI=1S/C38H58O6S/c1-35(2,3)27-21-25(22-28(33(27)41)36(4,5)6)13-15-31(39)43-17-19-45-20-18-44-32(40)16-14-26-23-29(37(7,8)9)34(42)30(24-26)38(10,11)12/h21-24,41-42H,13-20H2,1-12H3"	"VFBJXXJYHWLXRM-UHFFFAOYSA-N"	FALSE	TRUE	6300	4	5
"41495-66-3"	NA	NA	"Public_CrossChecked"	"COP(=O)(OC1CCCCC1)SC"	"?"	"InChI=1S/C8H17O3PS/c1-10-12(9,13-2)11-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3"	"URBFGHZYNPEYKC-UHFFFAOYSA-N"	FALSE	FALSE	240	2	3
"41506-62-1"	"DTXSID4068323"	"2-Naphthalenecarboxamide, N-[4-(acetylamino)phenyl]-3-hydroxy-"	"EPA_DSSTox"	"CC(=O)NC1C=CC(=CC=1)NC(=O)C1=CC2=CC=CC=C2C=C1O"	"?"	"InChI=1S/C19H16N2O3/c1-12(22)20-15-6-8-16(9-7-15)21-19(24)17-10-13-4-2-3-5-14(13)11-18(17)23/h2-11,23H,1H3,(H,20,22)(H,21,24)"	"MSRUOXBBGPWHEG-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"4151-50-2"	"DTXSID1032646"	"Sulfluramid"	"EPA_DSSTox"	"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"	FALSE	FALSE	507	3	4
"41519-23-7"	"DTXSID0047585"	"(3Z)-Hex-3-en-1-yl 2-methylpropanoate"	"EPA_DSSTox"	"CCC=CCCOC(=O)C(C)C"	"?"	"InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h5-6,9H,4,7-8H2,1-3H3"	"OSMAJVWUIUORGC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"4156-21-2"	"DTXSID4063325"	"Benzenesulfonic acid, 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-, monosodium salt"	"EPA_DSSTox"	"OS(=O)(=O)C1C=CC(=CC=1)NC1N=C(Cl)N=C(Cl)N=1"	"[Na+]"	"InChI=1S/C9H6Cl2N4O3S/c10-7-13-8(11)15-9(14-7)12-5-1-3-6(4-2-5)19(16,17)18/h1-4H,(H,16,17,18)(H,12,13,14,15)"	"JDBGDMZILOWAHV-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"41611-76-1"	"DTXSID6074623"	"9,10-Anthracenedione, 1,4-bis[(2-ethyl-6-methylphenyl)amino]-"	"EPA_DSSTox"	"CC1C=CC=C(CC)C=1NC1=CC=C(NC2C(CC)=CC=CC=2C)C2=C1C(=O)C1=CC=CC=C1C2=O"	"?"	"InChI=1S/C32H30N2O2/c1-5-21-13-9-11-19(3)29(21)33-25-17-18-26(34-30-20(4)12-10-14-22(30)6-2)28-27(25)31(35)23-15-7-8-16-24(23)32(28)36/h7-18,33-34H,5-6H2,1-4H3"	"NPJJGMRERPXCSE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"41621-49-2"	"DTXSID6045583"	"Ciclopirox olamine"	"EPA_DSSTox"	"CC1C=C(C2CCCCC2)N(O)C(=O)C=1"	"NCCO"	"InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3"	"SCKYRAXSEDYPSA-UHFFFAOYSA-N"	FALSE	TRUE	2350	3	5
"41669-30-1"	"DTXSID3068338"	"Isostearyl isostearate"	"EPA_DSSTox"	"CC(C)CCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C"	"?"	"InChI=1S/C36H72O2/c1-34(2)30-26-22-18-14-10-6-5-9-13-17-21-25-29-33-38-36(37)32-28-24-20-16-12-8-7-11-15-19-23-27-31-35(3)4/h34-35H,5-33H2,1-4H3"	"ABEXEQSGABRUHS-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"41672-81-5"	"DTXSID60885734"	"L-Proline, 1-(1-oxohexadecyl)-4-[(1-oxohexadecyl)oxy]-, (4R)-"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCC(=O)N1CC(CC1C(O)=O)OC(=O)CCCCCCCCCCCCCCC"	"?"	"InChI=1S/C37H69NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(39)38-32-33(31-34(38)37(41)42)43-36(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3,(H,41,42)"	"QZLXCFQVOCEKSX-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"41716-84-1"	"DTXSID40194513"	"Befuraline hydrochloride"	"EPA_DSSTox"	"O=C(C1=CC2C=CC=CC=2O1)N1CCN(CC2C=CC=CC=2)CC1"	"Cl"	"InChI=1S/C20H20N2O2/c23-20(19-14-17-8-4-5-9-18(17)24-19)22-12-10-21(11-13-22)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2"	"SRIJFPBZWUFLFD-UHFFFAOYSA-N"	FALSE	TRUE	2530	3	5
"41716-93-2"	"DTXSID00194514"	"Piperazine, 1-(2-benzofuranylcarbonyl)-4-((3,4,5-trimethoxyphenyl)methyl)-, monohydrochloride"	"EPA_DSSTox"	"COC1C=C(CN2CCN(CC2)C(=O)C2=CC3C=CC=CC=3O2)C=C(OC)C=1OC"	"Cl"	"InChI=1S/C23H26N2O5/c1-27-19-12-16(13-20(28-2)22(19)29-3)15-24-8-10-25(11-9-24)23(26)21-14-17-6-4-5-7-18(17)30-21/h4-7,12-14H,8-11,15H2,1-3H3"	"UBOGPWRTWBYGRW-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"41764-14-1"	"DTXSID90194588"	"N-Isoamylphthalamide"	"EPA_DSSTox"	"CC(C)CCN1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C13H15NO2/c1-9(2)7-8-14-12(15)10-5-3-4-6-11(10)13(14)16/h3-6,9H,7-8H2,1-2H3"	"OXMDWHVDKVTUQL-UHFFFAOYSA-N"	FALSE	TRUE	3500	3	5
"41767-29-7"	"DTXSID60194590"	"Fluocortin butyl"	"EPA_DSSTox"	"CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1C(=O)C(=O)OCCCC"	"?"	"InChI=1S/C26H35FO5/c1-5-6-9-32-24(31)23(30)21-14(2)10-17-16-12-19(27)18-11-15(28)7-8-25(18,3)22(16)20(29)13-26(17,21)4/h7-8,11,14,16-17,19-22,29H,5-6,9-10,12-13H2,1-4H3"	"XWTIDFOGTCVGQB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"41803-58-1"	"DTXSID40194619"	"Pyrido(2,3-d)pyrimidin-4(3H)-one, 2-(3-pyridinyl)-"	"EPA_DSSTox"	"O=C1N=C(NC2N=CC=CC=21)C1C=NC=CC=1"	"?"	"InChI=1S/C12H8N4O/c17-12-9-4-2-6-14-11(9)15-10(16-12)8-3-1-5-13-7-8/h1-7H,(H,14,15,16,17)"	"ZKLWJSLDNKUFSJ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"41859-67-0"	"DTXSID3029869"	"Bezafibrate"	"EPA_DSSTox"	"CC(C)(OC1=CC=C(CCNC(=O)C2C=CC(Cl)=CC=2)C=C1)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"	FALSE	FALSE	1082	3	4
"4189-10-0"	"DTXSID70194662"	"Butyric acid, 2-ethyl-, 2,2,2-trichloroethyl ester"	"EPA_DSSTox"	"CCC(CC)C(=O)OCC(Cl)(Cl)Cl"	"?"	"InChI=1S/C8H13Cl3O2/c1-3-6(4-2)7(12)13-5-8(9,10)11/h6H,3-5H2,1-2H3"	"AFGFYWOVFUGCLA-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"4189-47-3"	"DTXSID0041430"	"2-Hydroxypropyl bromoacetate"	"EPA_DSSTox"	"CC(O)COC(=O)CBr"	"?"	"InChI=1S/C5H9BrO3/c1-4(7)3-9-5(8)2-6/h4,7H,2-3H2,1H3"	"YLKMTQHJTPXQOL-UHFFFAOYSA-N"	FALSE	FALSE	664	3	4
"41892-01-7"	"DTXSID40885853"	"1-Dodecanaminium, N-(3-chloro-2-hydroxypropyl)-N,N-dimethyl-, chloride (1:1)"	"EPA_DSSTox"	"CCCCCCCCCCCC[N+](C)(C)CC(O)CCl"	"[Cl-]"	"InChI=1S/C17H37ClNO/c1-4-5-6-7-8-9-10-11-12-13-14-19(2,3)16-17(20)15-18/h17,20H,4-16H2,1-3H3/q+1"	"ROUWPGVROGNVAW-UHFFFAOYSA-N"	FALSE	FALSE	1070	3	4
"4193-55-9"	"DTXSID9044669"	"C.I. Fluorescent Brightener 28 disodium salt"	"EPA_DSSTox"	"OS(=O)(=O)C1C=C(C=CC=1C=CC1=CC=C(C=C1S(O)(=O)=O)NC1N=C(N=C(NC2C=CC=CC=2)N=1)N(CCO)CCO)NC1N=C(N=C(NC2C=CC=CC=2)N=1)N(CCO)CCO"	"[Na+].[Na+]"	"InChI=1S/C40H44N12O10S2/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50)"	"CNGYZEMWVAWWOB-UHFFFAOYSA-N"	FALSE	TRUE	12080	4	5
"4196-86-5"	"DTXSID8024608"	"2,2-Bis[(benzoyloxy)methyl]dibenzoate propanediol"	"EPA_DSSTox"	"O=C(OCC(COC(=O)C1C=CC=CC=1)(COC(=O)C1C=CC=CC=1)COC(=O)C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C33H28O8/c34-29(25-13-5-1-6-14-25)38-21-33(22-39-30(35)26-15-7-2-8-16-26,23-40-31(36)27-17-9-3-10-18-27)24-41-32(37)28-19-11-4-12-20-28/h1-20H,21-24H2"	"MINJAOUGXYRTEI-UHFFFAOYSA-N"	FALSE	FALSE	1158	3	4
"420-04-2"	"DTXSID9034490"	"Cyanamide"	"EPA_DSSTox"	"NC#N"	"?"	"InChI=1S/CH2N2/c2-1-3/h2H2"	"XZMCDFZZKTWFGF-UHFFFAOYSA-N"	FALSE	FALSE	133.5	2	3
"420-12-2"	"DTXSID3049411"	"Ethylene sulfide"	"EPA_DSSTox"	"C1CS1"	"?"	"InChI=1S/C2H4S/c1-2-3-1/h1-2H2"	"VOVUARRWDCVURC-UHFFFAOYSA-N"	FALSE	FALSE	178	2	3
"42012-90-8"	NA	NA	"Public_CrossChecked"	"CC(C)=CCN(CC=C(C)C)CCC(C#N)C1C=CC=C2C=CC=CC2=1"	"?"	"InChI=1S/C24H30N2/c1-19(2)12-15-26(16-13-20(3)4)17-14-22(18-25)24-11-7-9-21-8-5-6-10-23(21)24/h5-13,22H,14-17H2,1-4H3"	"DWMYZKMRDUDVHE-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"42017-89-0"	"DTXSID8041030"	"Fenofibric acid"	"EPA_DSSTox"	"CC(C)(OC1C=CC(=CC=1)C(=O)C1C=CC(Cl)=CC=1)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"	FALSE	FALSE	1242	3	4
"42018-31-5"	"DTXSID10194828"	"Acetophenone, 4'-carbazoylmethoxy-"	"EPA_DSSTox"	"CC(=O)C1C=CC(=CC=1)OCC(=O)NN"	"?"	"InChI=1S/C10H12N2O3/c1-7(13)8-2-4-9(5-3-8)15-6-10(14)12-11/h2-5H,6,11H2,1H3,(H,12,14)"	"HPOJJLGCBZTLMR-UHFFFAOYSA-N"	FALSE	FALSE	1820	3	4
"4205-90-7"	"DTXSID6022846"	"Clonidine"	"EPA_DSSTox"	"ClC1C=CC=C(Cl)C=1N=C1NCCN1"	"?"	"InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)"	"GJSURZIOUXUGAL-UHFFFAOYSA-N"	FALSE	FALSE	67.3	2	3
"4205-91-8"	"DTXSID8044670"	"Clonidine hydrochloride"	"EPA_DSSTox"	"ClC1C=CC=C(Cl)C=1N=C1NCCN1"	"Cl"	"InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)"	"GJSURZIOUXUGAL-UHFFFAOYSA-N"	FALSE	FALSE	126	2	3
"4205-98-5"	"DTXSID50194867"	"Benzimidazole, 7-nitro-4,5,6-trichloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"[O-][N+](=O)C1=C2NC(=NC2=C(Cl)C(Cl)=C1Cl)C(F)(F)F"	"?"	"InChI=1S/C8HCl3F3N3O2/c9-1-2(10)4-5(6(3(1)11)17(18)19)16-7(15-4)8(12,13)14/h(H,15,16)"	"KFVQEVNXYSJKRB-UHFFFAOYSA-N"	TRUE	FALSE	19.321	1	2
"42057-22-7"	"DTXSID60194898"	"Mezlocillin sodium"	"EPA_DSSTox"	"CC1(C)SC2C(NC(=O)C(NC(=O)N3CCN(C3=O)S(C)(=O)=O)C3C=CC=CC=3)C(=O)N2C1C(O)=O"	"[Na] |^1:0|"	"InChI=1S/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30)"	"YPBATNHYBCGSSN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"4212-94-6"	"DTXSID70194960"	"Carbamic acid, (acetyloxy)phenyl-, 1-methylethyl ester (9CI)"	"EPA_DSSTox"	"CC(=O)ON(C(=O)OC(C)C)C1C=CC=CC=1"	"?"	"InChI=1S/C12H15NO4/c1-9(2)16-12(15)13(17-10(3)14)11-7-5-4-6-8-11/h4-9H,1-3H3"	"ODIGIKRIUKFKHP-UHFFFAOYSA-N"	FALSE	TRUE	3400	3	5
"42136-28-7"	NA	NA	"Public_CrossChecked"	"COP(=O)(OC(=C)C1C=CC(Cl)=CC=1Cl)OC"	"?"	"InChI=1S/C10H11Cl2O4P/c1-7(16-17(13,14-2)15-3)9-5-4-8(11)6-10(9)12/h4-6H,1H2,2-3H3"	"XVBTXHSXCGERSU-UHFFFAOYSA-N"	FALSE	TRUE	2351	3	5
"42136-30-1"	NA	NA	"Public_CrossChecked"	"COP(=O)(OC(C1C=CC(Cl)=CC=1Cl)=C(Br)Br)OC"	"?"	"InChI=1S/C10H9Br2Cl2O4P/c1-16-19(15,17-2)18-9(10(11)12)7-4-3-6(13)5-8(7)14/h3-5H,1-2H3"	"XEOXPHGEHSMDRN-UHFFFAOYSA-N"	FALSE	FALSE	180	2	3
"42136-31-2"	NA	NA	"Public_CrossChecked"	"CCOP(=O)(OC(C1C=CC(Cl)=CC=1Cl)=C(Br)Br)OCC"	"?"	"InChI=1S/C12H13Br2Cl2O4P/c1-3-18-21(17,19-4-2)20-11(12(13)14)9-6-5-8(15)7-10(9)16/h5-7H,3-4H2,1-2H3"	"CKESMWXQXWZWKV-UHFFFAOYSA-N"	FALSE	FALSE	78.1	2	3
"422-56-0"	"DTXSID1042027"	"3,3-dichloro-1,1,1,2,2-pentafluoropropane"	"EPA_DSSTox"	"FC(F)(F)C(F)(F)C(Cl)Cl"	"?"	"InChI=1S/C3HCl2F5/c4-1(5)2(6,7)3(8,9)10/h1H"	"COAUHYBSXMIJDK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"422-81-1"	"DTXSID3073181"	"Propane, 1,1,1,2,3,3,3-heptachloro-2-fluoro-"	"EPA_DSSTox"	"FC(Cl)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C3Cl7F/c4-1(11,2(5,6)7)3(8,9)10"	"ZWMMIEYEXGPGMG-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"42200-33-9"	"DTXSID3023342"	"Nadolol"	"EPA_DSSTox"	"CC(C)(C)NCC(O)COC1=CC=CC2CC(O)C(O)CC=21"	"?"	"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"	FALSE	TRUE	5300	4	5
"42222-50-4"	"DTXSID2028014"	"9-Octadecenoic acid (9Z)-, 2,2-dimethyl-1,3-propanediyl ester"	"EPA_DSSTox"	"CC(C)(COC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC"	"?"	"InChI=1S/C41H76O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(42)44-37-41(3,4)38-45-40(43)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22H,5-18,23-38H2,1-4H3"	"AMZKGJLFYCZDMJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"4223-11-4"	"DTXSID30195054"	"1-Butoxy-2-vinyloxy ethane"	"EPA_DSSTox"	"CCCCOCCOC=C"	"?"	"InChI=1S/C8H16O2/c1-3-5-6-10-8-7-9-4-2/h4H,2-3,5-8H2,1H3"	"UNMYKPSSIFZORM-UHFFFAOYSA-N"	FALSE	TRUE	3100	3	5
"4228-88-0"	"DTXSID40195106"	"Benzimidazole, 4,6-dichloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1NC2=CC(Cl)=CC(Cl)=C2N=1"	"?"	"InChI=1S/C8H3Cl2F3N2/c9-3-1-4(10)6-5(2-3)14-7(15-6)8(11,12)13/h1-2H,(H,14,15)"	"CAFBQHRMRGNHME-UHFFFAOYSA-N"	TRUE	FALSE	3.285	1	1
"4228-89-1"	"DTXSID00195107"	"Benzimidazole, 4,7-dichloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1NC2C(N=1)=C(Cl)C=CC=2Cl"	"?"	"InChI=1S/C8H3Cl2F3N2/c9-3-1-2-4(10)6-5(3)14-7(15-6)8(11,12)13/h1-2H,(H,14,15)"	"QECRKWYIIQPMPA-UHFFFAOYSA-N"	TRUE	FALSE	2.61	1	1
"4228-93-7"	"DTXSID20195109"	"Benzimidazole, 4-bromo-5,6,7-trichloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1NC2=C(Br)C(Cl)=C(Cl)C(Cl)=C2N=1"	"?"	"InChI=1S/C8HBrCl3F3N2/c9-1-2(10)3(11)4(12)6-5(1)16-7(17-6)8(13,14)15/h(H,16,17)"	"KMFHVMJKOGJJRE-UHFFFAOYSA-N"	TRUE	FALSE	4.122	1	1
"4228-97-1"	"DTXSID30195110"	"Benzimidazole, 4,7-dibromo-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1NC2C(N=1)=C(Br)C=CC=2Br"	"?"	"InChI=1S/C8H3Br2F3N2/c9-3-1-2-4(10)6-5(3)14-7(15-6)8(11,12)13/h1-2H,(H,14,15)"	"DYLHVMDRWJVLSN-UHFFFAOYSA-N"	TRUE	FALSE	18.049	1	2
"4228-99-3"	"DTXSID90195111"	"Benzimidazole, 5-methyl-4,6,7-trichloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"CC1=C(Cl)C(Cl)=C2N=C(NC2=C1Cl)C(F)(F)F"	"?"	"InChI=1S/C9H4Cl3F3N2/c1-2-3(10)5(12)7-6(4(2)11)16-8(17-7)9(13,14)15/h1H3,(H,16,17)"	"FTDIVRFRWTWDKU-UHFFFAOYSA-N"	TRUE	FALSE	18.286	1	2
"4230-97-1"	"DTXSID9063370"	"Octanoic acid, 2-propenyl ester"	"EPA_DSSTox"	"CCCCCCCC(=O)OCC=C"	"?"	"InChI=1S/C11H20O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h4H,2-3,5-10H2,1H3"	"PZGMUSDNQDCNAG-UHFFFAOYSA-N"	FALSE	FALSE	570	3	4
"4232-84-2"	"DTXSID90195136"	"Phenol, p-amino-, phosphate (3:1) (ester)"	"EPA_DSSTox"	"NC1C=CC(=CC=1)OP(=O)(OC1C=CC(N)=CC=1)OC1C=CC(N)=CC=1"	"?"	"InChI=1S/C18H18N3O4P/c19-13-1-7-16(8-2-13)23-26(22,24-17-9-3-14(20)4-10-17)25-18-11-5-15(21)6-12-18/h1-12H,19-21H2"	"ZYPZVOKVDNSKLP-UHFFFAOYSA-N"	FALSE	FALSE	138	2	3
"4234-79-1"	"DTXSID7058098"	"Kelevan"	"EPA_DSSTox"	"CCOC(=O)CCC(=O)CC1(O)C2(Cl)C3(Cl)C4(Cl)C2(Cl)C2(Cl)C(Cl)(C3(Cl)C21Cl)C4(Cl)Cl"	"?"	"InChI=1S/C17H12Cl10O4/c1-2-31-7(29)4-3-6(28)5-8(30)9(18)11(20)13(22)10(8,19)14(23)12(9,21)15(11,24)17(26,27)16(13,14)25/h30H,2-5H2,1H3"	"POSKOXIJDWDKPH-UHFFFAOYSA-N"	FALSE	FALSE	240	2	3
"42399-49-5"	"DTXSID6057744"	"(2S,3s)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5h)-one"	"EPA_DSSTox"	"COC1=CC=C(C=C1)C1SC2C=CC=CC=2NC(=O)C1O"	"?"	"InChI=1S/C16H15NO3S/c1-20-11-8-6-10(7-9-11)15-14(18)16(19)17-12-4-2-3-5-13(12)21-15/h2-9,14-15,18H,1H3,(H,17,19)"	"LHBHZALHFIQJGJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"42436-07-7"	"DTXSID40884821"	"Benzeneacetic acid, (3Z)-3-hexen-1-yl ester"	"EPA_DSSTox"	"CCC=CCCOC(=O)CC1C=CC=CC=1"	"?"	"InChI=1S/C14H18O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h3-7,9-10H,2,8,11-12H2,1H3"	"FJKFIIYSBXHBCT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"4246-51-9"	"DTXSID6044565"	"3,3'-[Oxybis(ethane-2,1-diyloxy)]dipropan-1-amine"	"EPA_DSSTox"	"NCCCOCCOCCOCCCN"	"?"	"InChI=1S/C10H24N2O3/c11-3-1-5-13-7-9-15-10-8-14-6-2-4-12/h1-12H2"	"JCEZOHLWDIONSP-UHFFFAOYSA-N"	FALSE	TRUE	2850	3	5
"4248-21-9"	NA	NA	"Public_CrossChecked"	"CCCCC(COC(N)=O)CC"	"?"	"InChI=1S/C9H19NO2/c1-3-5-6-8(4-2)7-12-9(10)11/h8H,3-7H2,1-2H3,(H2,10,11)"	"OZDFMZUKOBBNHM-UHFFFAOYSA-N"	FALSE	TRUE	3153	3	5
"42482-06-4"	"DTXSID8041373"	"2-Octen-1-ylsuccinic anhydride"	"EPA_DSSTox"	"CCCCCC=CCC1CC(=O)OC1=O"	"?"	"InChI=1S/C12H18O3/c1-2-3-4-5-6-7-8-10-9-11(13)15-12(10)14/h6-7,10H,2-5,8-9H2,1H3"	"WSGFXVFLWVXTCJ-UHFFFAOYSA-N"	FALSE	FALSE	1098	3	4
"425-87-6"	NA	NA	"Public_CrossChecked"	"COC(F)(F)C(F)Cl"	"?"	"InChI=1S/C3H4ClF3O/c1-8-3(6,7)2(4)5/h2H,1H3"	"KKXBMWAROXAWSZ-UHFFFAOYSA-N"	FALSE	TRUE	5130	4	5
"4252-78-2"	"DTXSID3026190"	"2,2',4'-Trichloroacetophenone"	"EPA_DSSTox"	"O=C(CCl)C1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C8H5Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2"	"VYWPPRLJNVHPEU-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"42534-61-2"	"DTXSID6034502"	"Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-(2-propenyl)-2-cyclopenten-1-yl ester, (1.alpha.(S*),3.beta.)-(.+-).-"	"EPA_DSSTox"	"CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C"	"?"	"InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3"	"ZCVAOQKBXKSDMS-UHFFFAOYSA-N"	FALSE	FALSE	1320	3	4
"4255-24-7"	NA	NA	"Public_CrossChecked"	"C=CCC(N)CC1C=CC=CC=1"	"Cl"	"InChI=1S/C11H15N/c1-2-6-11(12)9-10-7-4-3-5-8-10/h2-5,7-8,11H,1,6,9,12H2"	"WQKXQJYCZMWOSD-UHFFFAOYSA-N"	FALSE	FALSE	680	3	4
"42565-17-3"	"DTXSID20195346"	"Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 3-(mercaptomethyl)-1,3,4-oxadiazol-2(3H)-one"	"EPA_DSSTox"	"COP(=S)(OC)SCC1NOC(=O)N=1"	"?"	"InChI=1S/C5H9N2O4PS2/c1-9-12(13,10-2)14-3-4-6-5(8)11-7-4/h3H2,1-2H3,(H,6,7,8)"	"XUWFHQITBUUGAR-UHFFFAOYSA-N"	TRUE	FALSE	10	1	2
"42576-02-3"	"DTXSID1040320"	"Bifenox"	"EPA_DSSTox"	"COC(=O)C1C=C(C=CC=1[N+]([O-])=O)OC1C=CC(Cl)=CC=1Cl"	"?"	"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"	FALSE	TRUE	6400	4	5
"42588-37-4"	"DTXSID3032624"	"Kinoprene"	"EPA_DSSTox"	"CC(C=CCC(C)CCCC(C)C)=CC(=O)OCC#C"	"?"	"InChI=1S/C18H28O2/c1-6-13-20-18(19)14-17(5)12-8-11-16(4)10-7-9-15(2)3/h1,8,12,14-16H,7,9-11,13H2,2-5H3"	"FZRBKIRIBLNOAM-UHFFFAOYSA-N"	FALSE	TRUE	4900	3	5
"42604-12-6"	"DTXSID4068408"	"Cyclododecane, (methoxymethoxy)-"	"EPA_DSSTox"	"COCOC1CCCCCCCCCCC1"	"?"	"InChI=1S/C14H28O2/c1-15-13-16-14-11-9-7-5-3-2-4-6-8-10-12-14/h14H,2-13H2,1H3"	"HPTIDIPGIUCQFC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"4261-68-1"	"DTXSID6048701"	"N-(2-chloroethyl)-N-(propan-2-yl)propan-2-amine hydrochloride"	"EPA_DSSTox"	"CC(C)N(CCCl)C(C)C"	"Cl"	"InChI=1S/C8H18ClN/c1-7(2)10(6-5-9)8(3)4/h7-8H,5-6H2,1-4H3"	"DBVADBHSJCWFKI-UHFFFAOYSA-N"	FALSE	FALSE	96.75	2	3
"42615-29-2"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCCC(C)C1C=CC(=CC=1)S(O)(=O)=O"	"[Na+]"	"InChI=1S/C18H30O3S/c1-3-4-5-6-7-8-9-10-11-16(2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)"	"CJTZDYDOPZRFTF-UHFFFAOYSA-N"	FALSE	FALSE	437	2	4
"4268-36-4"	"DTXSID7023728"	"Tybamate"	"EPA_DSSTox"	"CC(COC(N)=O)(CCC)COC(=O)NCCCC"	"?"	"InChI=1S/C13H26N2O4/c1-4-6-8-15-12(17)19-10-13(3,7-5-2)9-18-11(14)16/h4-10H2,1-3H3,(H2,14,16)(H,15,17)"	"PRBORDFJHHAISJ-UHFFFAOYSA-N"	FALSE	FALSE	1040	3	4
"4269-88-9"	NA	NA	"Public_CrossChecked"	"C[N+]1(CCN(C2CCCCC2)C2CCCCC2)CCCCC1"	"[Br-]"	"InChI=1S/C20H39N2/c1-22(16-9-4-10-17-22)18-15-21(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h19-20H,2-18H2,1H3/q+1"	"TZYRDERGSMJALR-UHFFFAOYSA-N"	FALSE	FALSE	650	3	4
"4273-92-1"	"DTXSID8063385"	"2-Naphthalenecarboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-"	"EPA_DSSTox"	"COC1=CC(NC(=O)C2=CC3C=CC=CC=3C=C2O)=C(C=C1Cl)OC"	"?"	"InChI=1S/C19H16ClNO4/c1-24-17-10-15(18(25-2)9-14(17)20)21-19(23)13-7-11-5-3-4-6-12(11)8-16(13)22/h3-10,22H,1-2H3,(H,21,23)"	"QIHKTBRNOLQDGQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"42790-35-2"	"DTXSID7073515"	"Benzenamine, 4-ethyl-N-(phenylmethylene)-, N-oxide"	"EPA_DSSTox"	"CCC1C=CC(=CC=1)[N+]([O-])=CC1C=CC=CC=1"	"?"	"InChI=1S/C15H15NO/c1-2-13-8-10-15(11-9-13)16(17)12-14-6-4-3-5-7-14/h3-12H,2H2,1H3"	"RAVWGVVHWUBCGJ-UHFFFAOYSA-N"	FALSE	FALSE	1345	3	4
"42794-76-3"	"DTXSID0023321"	"Midodrine"	"EPA_DSSTox"	"COC1C=CC(=CC=1C(O)CNC(=O)CN)OC"	"?"	"InChI=1S/C12H18N2O4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16)"	"PTKSEFOSCHHMPD-UHFFFAOYSA-N"	TRUE	FALSE	NA	1	2
"42797-18-2"	"DTXSID90195479"	"Benzoic acid, o-(4-biphenylylcarbonyl)-"	"EPA_DSSTox"	"OC(=O)C1C=CC=CC=1C(=O)C1C=CC(=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C20H14O3/c21-19(17-8-4-5-9-18(17)20(22)23)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,22,23)"	"NBYNVBRXIUUSIG-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"42818-60-0"	NA	NA	"Public_CrossChecked"	"CC(O)C1C=C(C=C(N)C=1)C(F)(F)F"	"?"	"InChI=1S/C9H10F3NO/c1-5(14)6-2-7(9(10,11)12)4-8(13)3-6/h2-5,14H,13H2,1H3"	"ATRKQTIVYKNDOH-UHFFFAOYSA-N"	FALSE	FALSE	880	3	4
"42839-36-1"	NA	NA	"Public_CrossChecked"	"NC(N)=NCC1CCCCCCN1"	"OS(=O)(=O)O"	"InChI=1S/C9H20N4/c10-9(11)13-7-8-5-3-1-2-4-6-12-8/h8,12H,1-7H2,(H4,10,11,13)"	"ZCVAIGPGEINFCX-UHFFFAOYSA-N"	FALSE	TRUE	3550	3	5
"42872-29-7"	NA	NA	"Public_CrossChecked"	"CC(C#N)C1=CC(=CC=C1)C(=O)Cl"	"?"	"InChI=1S/C10H8ClNO/c1-7(6-12)8-3-2-4-9(5-8)10(11)13/h2-5,7H,1H3"	"XXQNFMGCPMJJSJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"42872-30-0"	NA	NA	"Public_CrossChecked"	"CC(C#N)C1=CC(=CC=C1)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C16H13NO/c1-12(11-17)14-8-5-9-15(10-14)16(18)13-6-3-2-4-7-13/h2-10,12H,1H3"	"RGYOCHMZSLUCNP-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"42874-01-1"	"DTXSID9042205"	"Nitrofluorofen"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC(=CC=1)OC1=CC=C(C=C1Cl)C(F)(F)F"	"?"	"InChI=1S/C13H7ClF3NO3/c14-11-7-8(13(15,16)17)1-6-12(11)21-10-4-2-9(3-5-10)18(19)20/h1-7H"	"ZGGSVBWJVIXBHV-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"42874-03-3"	"DTXSID7024241"	"Oxyfluorfen"	"EPA_DSSTox"	"CCOC1C=C(C=CC=1[N+]([O-])=O)OC1C=CC(=CC=1Cl)C(F)(F)F"	"?"	"InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3"	"OQMBBFQZGJFLBU-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"42924-53-8"	"DTXSID4045472"	"Nabumetone"	"EPA_DSSTox"	"CC(=O)CCC1=CC2C=CC(=CC=2C=C1)OC"	"?"	"InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3"	"BLXXJMDCKKHMKV-UHFFFAOYSA-N"	FALSE	TRUE	3880	3	5
"42959-18-2"	"DTXSID60195582"	"Silicon triethanolamine"	"EPA_DSSTox"	"C[Si]1(C)OCCN(CCO)CCO1"	"?"	"InChI=1S/C8H19NO3Si/c1-13(2)11-7-4-9(3-6-10)5-8-12-13/h10H,3-8H2,1-2H3"	"NSYDOBYFTHLPFM-UHFFFAOYSA-N"	FALSE	TRUE	3400	3	5
"42978-66-5"	"DTXSID7028015"	"Tripropylene glycol diacrylate"	"EPA_DSSTox"	"CC(COC(C)COC(=O)C=C)OCC(C)OC(=O)C=C"	"?"	"InChI=1S/C15H24O6/c1-6-14(16)20-9-12(4)18-8-11(3)19-10-13(5)21-15(17)7-2/h6-7,11-13H,1-2,8-10H2,3-5H3"	"LJRSZGKUUZPHEB-UHFFFAOYSA-N"	FALSE	TRUE	6200	4	5
"4301-50-2"	"DTXSID9058103"	"Fluenethyl"	"EPA_DSSTox"	"O=C(CC1C=CC(=CC=1)C1C=CC=CC=1)OCCF"	"?"	"InChI=1S/C16H15FO2/c17-10-11-19-16(18)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9H,10-12H2"	"XAERLJMOUYEBAB-UHFFFAOYSA-N"	TRUE	FALSE	6	1	2
"43033-72-3"	"DTXSID7020500"	"Levomethadyl acetate hydrochloride"	"EPA_DSSTox"	"CC(=O)OC(CC)C(CC(C)N(C)C)(C1C=CC=CC=1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3"	"XBMIVRRWGCYBTQ-UHFFFAOYSA-N"	TRUE	FALSE	29	1	2
"43064-33-1"	"DTXSID90195671"	"2-Naphthalenesulfonic acid, 3,7-bis(1,1-dimethylethyl)-, sodium salt"	"EPA_DSSTox"	"CC(C)(C)C1=CC2C=CC(=CC=2C=C1S(O)(=O)=O)C(C)(C)C"	"[Na+]"	"InChI=1S/C18H24O3S/c1-17(2,3)14-8-7-12-10-15(18(4,5)6)16(22(19,20)21)11-13(12)9-14/h7-11H,1-6H3,(H,19,20,21)"	"GHJVBQHTTKUXFY-UHFFFAOYSA-N"	FALSE	TRUE	4243	3	5
"43087-91-8"	"DTXSID00195682"	"Benzothiazole, 5-amino-2-phenyl-"	"EPA_DSSTox"	"NC1=CC2N=C(SC=2C=C1)C1C=CC=CC=1"	"?"	"InChI=1S/C13H10N2S/c14-10-6-7-12-11(8-10)15-13(16-12)9-4-2-1-3-5-9/h1-8H,14H2"	"GPBQVPZBUKXEJQ-UHFFFAOYSA-N"	FALSE	TRUE	2940	3	5
"431-03-8"	"DTXSID6021583"	"2,3-Butanedione"	"EPA_DSSTox"	"CC(=O)C(C)=O"	"?"	"InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3"	"QSJXEFYPDANLFS-UHFFFAOYSA-N"	FALSE	FALSE	1580	3	4
"43119-47-7"	"DTXSID1046396"	"DL-alpha Tocopheryl nicotinate"	"EPA_DSSTox"	"CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2C(O1)=C(C)C(C)=C(OC(=O)C1=CN=CC=C1)C=2C"	"?"	"InChI=1S/C35H53NO3/c1-24(2)13-9-14-25(3)15-10-16-26(4)17-11-20-35(8)21-19-31-29(7)32(27(5)28(6)33(31)39-35)38-34(37)30-18-12-22-36-23-30/h12,18,22-26H,9-11,13-17,19-21H2,1-8H3"	"MSCCTZZBYHQMQJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"4312-93-0"	"DTXSID9063405"	"Hexanamide, N-hydroxy-"	"EPA_DSSTox"	"CCCCCC(=O)NO"	"?"	"InChI=1S/C6H13NO2/c1-2-3-4-5-6(8)7-9/h9H,2-5H2,1H3,(H,7,8)"	"FWPKDESKJMMUSR-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"4312-97-4"	"DTXSID5041198"	"(Z)-Sodium 3-chloroacrylate"	"EPA_DSSTox"	"OC(=O)C=CCl"	"[Na+]"	"InChI=1S/C3H3ClO2/c4-2-1-3(5)6/h1-2H,(H,5,6)"	"MHMUCYJKZUZMNJ-UHFFFAOYSA-N"	FALSE	FALSE	320	2	4
"43121-43-3"	"DTXSID3023897"	"Triadimefon"	"EPA_DSSTox"	"CC(C)(C)C(=O)C(OC1C=CC(Cl)=CC=1)N1C=NC=N1"	"?"	"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"	FALSE	FALSE	90	2	3
"4317-14-0"	"DTXSID50195758"	"Amitriptylinoxide"	"EPA_DSSTox"	"C[N+](C)([O-])CCC=C1C2C=CC=CC=2CCC2C=CC=CC=21"	"?"	"InChI=1S/C20H23NO/c1-21(2,22)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"	"ZPMKQFOGINQDAM-UHFFFAOYSA-N"	FALSE	FALSE	1800	3	4
"43201-95-2"	NA	NA	"Public_CrossChecked"	"CCCCCCCC(=O)OCCC(C)O"	"?"	"InChI=1S/C12H24O3/c1-3-4-5-6-7-8-12(14)15-10-9-11(2)13/h11,13H,3-10H2,1-2H3"	"WLHXECFTKMDOJD-UHFFFAOYSA-N"	TRUE	FALSE	NA	1	2
"4321-69-1"	"DTXSID8044672"	"C.I. Food Red 11"	"EPA_DSSTox"	"CC(=O)NC1=CC=C(C=C1)N=NC1C(=CC2C=C(C=C(NC(C)=O)C=2C=1O)S(O)(=O)=O)S(O)(=O)=O"	"[Na+].[Na+]"	"InChI=1S/C20H18N4O9S2/c1-10(25)21-13-3-5-14(6-4-13)23-24-19-17(35(31,32)33)8-12-7-15(34(28,29)30)9-16(22-11(2)26)18(12)20(19)27/h3-9,27H,1-2H3,(H,21,25)(H,22,26)(H,28,29,30)(H,31,32,33)"	"ZWESMPYRPRGBPS-UHFFFAOYSA-N"	FALSE	TRUE	23160	4	5
"43210-67-9"	"DTXSID0040672"	"Fenbendazole"	"EPA_DSSTox"	"COC(=O)NC1NC2C=CC(=CC=2N=1)SC1C=CC=CC=1"	"?"	"InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)"	"HDDSHPAODJUKPD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"43218-56-0"	NA	NA	"Public_CrossChecked"	"COC1=CC=C(C=C1C(O)CNC(=O)CN)OC"	"Cl"	"InChI=1S/C12H18N2O4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16)"	"PTKSEFOSCHHMPD-UHFFFAOYSA-N"	FALSE	FALSE	68.8	2	3
"43222-48-6"	"DTXSID6024048"	"Difenzoquat metilsulfate"	"EPA_DSSTox"	"CN1C(=CC(C2C=CC=CC=2)=[N+]1C)C1C=CC=CC=1"	"S(=O)(=O)(OC)[O-]"	"InChI=1S/C17H17N2/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15/h3-13H,1-2H3/q+1"	"LBGPXIPGGRQBJW-UHFFFAOYSA-N"	FALSE	FALSE	206	2	3
"4323-43-7"	NA	NA	"Public_CrossChecked"	"OC1=CC=C(C=C1O)C(O)CNCCCCCCNCC(O)C1=CC(O)=C(O)C=C1"	"[Cl-].[Cl-]"	"InChI=1S/C22H32N2O6/c25-17-7-5-15(11-19(17)27)21(29)13-23-9-3-1-2-4-10-24-14-22(30)16-6-8-18(26)20(28)12-16/h5-8,11-12,21-30H,1-4,9-10,13-14H2"	"OXLZNBCNGJWPRV-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"4335-09-5"	"DTXSID7036822"	"Direct Green 6"	"EPA_DSSTox"	"NC1C2=C(C=C(C(N=NC3C=CC(=CC=3)C3C=CC(=CC=3)N=NC3C=CC(O)=CC=3)=C2O)S(O)(=O)=O)C=C(C=1N=NC1C=CC(=CC=1)[N+]([O-])=O)S(O)(=O)=O"	"[Na+].[Na+]"	"InChI=1S/C34H24N8O10S2/c35-31-30-21(17-28(53(47,48)49)32(31)40-38-24-9-13-26(14-10-24)42(45)46)18-29(54(50,51)52)33(34(30)44)41-39-23-7-3-20(4-8-23)19-1-5-22(6-2-19)36-37-25-11-15-27(43)16-12-25/h1-18,43-44H,35H2,(H,47,48,49)(H,50,51,52)"	"STOOUUMSJPLRNI-UHFFFAOYSA-N"	FALSE	TRUE	14730	4	5
"4336-19-0"	"DTXSID70195831"	"1-Cyclohexene-1,2-dicarboxylic acid, dimethyl ester"	"EPA_DSSTox"	"COC(=O)C1CCCCC=1C(=O)OC"	"?"	"InChI=1S/C10H14O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H2,1-2H3"	"APGUUZNLMFETAH-UHFFFAOYSA-N"	FALSE	FALSE	700	3	4
"4337-66-0"	"DTXSID2063420"	"Ethanol, 2-amino-, benzoate (salt)"	"EPA_DSSTox"	"OC(=O)C1C=CC=CC=1"	"C(C[NH3+])O"	"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)"	"WPYMKLBDIGXBTP-UHFFFAOYSA-N"	FALSE	TRUE	9274	4	5
"434-03-7"	"DTXSID2023016"	"Ethisterone"	"EPA_DSSTox"	"CC12CCC3C(CCC4=CC(=O)CCC43C)C1CCC2(O)C#C"	"?"	"InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3"	"CHNXZKVNWQUJIB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"4342-03-4"	"DTXSID0020369"	"Dacarbazine"	"EPA_DSSTox"	"CN(C)N=NC1N=CNC=1C(N)=O"	"?"	"InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)"	"FDKXTQMXEQVLRF-UHFFFAOYSA-N"	FALSE	TRUE	2147	3	5
"4345-03-3"	"DTXSID2026151"	"d-alpha-Tocopheryl succinate"	"EPA_DSSTox"	"CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2C(O1)=C(C)C(C)=C(OC(=O)CCC(O)=O)C=2C"	"?"	"InChI=1S/C33H54O5/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-33(8)21-19-28-27(7)31(25(5)26(6)32(28)38-33)37-30(36)18-17-29(34)35/h22-24H,9-21H2,1-8H3,(H,34,35)"	"IELOKBJPULMYRW-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"435-97-2"	"DTXSID5023459"	"Phenprocoumon"	"EPA_DSSTox"	"CCC(C1=C(O)C2=CC=CC=C2OC1=O)C1C=CC=CC=1"	"?"	"InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3"	"DQDAYGNAKTZFIW-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"4350-09-8"	"DTXSID1025437"	"L-5-Hydroxytryptophan"	"EPA_DSSTox"	"NC(CC1=CNC2C=CC(O)=CC=21)C(O)=O"	"?"	"InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)"	"LDCYZAJDBXYCGN-UHFFFAOYSA-N"	FALSE	FALSE	243	2	3
"4351-70-6"	"DTXSID20863371"	"Phosphonic acid, P-[1-[[(2-chloroethoxy)(2-chloroethyl)phosphinyl]oxy]ethyl]-, 1-[bis(2-chloroethoxy)phosphinyl]ethyl 2-chloroethyl ester"	"EPA_DSSTox"	"CC(OP(=O)(OCCCl)C(C)OP(=O)(CCCl)OCCCl)P(=O)(OCCCl)OCCCl"	"?"	"InChI=1S/C14H28Cl5O9P3/c1-13(27-29(20,12-7-19)23-8-3-15)31(22,26-11-6-18)28-14(2)30(21,24-9-4-16)25-10-5-17/h13-14H,3-12H2,1-2H3"	"QDLQFWNOQPOPHV-UHFFFAOYSA-N"	FALSE	TRUE	2740	3	5
"4353-02-0"	NA	NA	"Public_CrossChecked"	"CC1COC(O1)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C5H7Cl3O2/c1-3-2-9-4(10-3)5(6,7)8/h3-4H,2H2,1H3"	"YNEGMVUIENQSCP-UHFFFAOYSA-N"	FALSE	FALSE	380	2	4
"4357-96-4"	"DTXSID30195877"	"Pseudourea, 2-(p-nitrobenzyl)-2-thio-, hydrochloride"	"EPA_DSSTox"	"[H]/N=C(\N)/SCC1=CC=C(C=C1)[N+]([O-])=O"	"Cl"	"InChI=1S/C8H9N3O2S/c9-8(10)14-5-6-1-3-7(4-2-6)11(12)13/h1-4H,5H2,(H3,9,10)"	"YNTWTDHRYRBPOL-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"4360-47-8"	"DTXSID2052100"	"3-Phenylprop-2-enenitrile"	"EPA_DSSTox"	"N#CC=CC1C=CC=CC=1"	"?"	"InChI=1S/C9H7N/c10-8-4-7-9-5-2-1-3-6-9/h1-7H"	"ZWKNLRXFUTWSOY-UHFFFAOYSA-N"	FALSE	TRUE	4150	3	5
"4362-40-7"	"DTXSID60884065"	"1,3-Dioxolane, 4-(chloromethyl)-2,2-dimethyl-"	"EPA_DSSTox"	"CC1(C)OCC(CCl)O1"	"?"	"InChI=1S/C6H11ClO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4H2,1-2H3"	"BNPOTXLWPZOESZ-UHFFFAOYSA-N"	FALSE	FALSE	115	2	3
"437-38-7"	"DTXSID9023049"	"Fentanyl"	"EPA_DSSTox"	"CCC(=O)N(C1CCN(CCC2C=CC=CC=2)CC1)C1C=CC=CC=1"	"?"	"InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3"	"PJMPHNIQZUBGLI-UHFFFAOYSA-N"	TRUE	FALSE	18	1	2
"437-74-1"	"DTXSID0023743"	"Xanthinol niacinate"	"EPA_DSSTox"	"CN1C(=O)C2=C(N=CN2CC(O)CN(C)CCO)N(C)C1=O"	"OC(=O)C1=CC=CN=C1"	"InChI=1S/C13H21N5O4/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2/h8-9,19-20H,4-7H2,1-3H3"	"DSFGXPJYDCSWTA-UHFFFAOYSA-N"	FALSE	TRUE	14130	4	5
"4376-20-9"	"DTXSID2025680"	"MEHP"	"EPA_DSSTox"	"CCCCC(COC(=O)C1=CC=CC=C1C(O)=O)CC"	"?"	"InChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)"	"DJDSLBVSSOQSLW-UHFFFAOYSA-N"	FALSE	FALSE	1340	3	4
"437717-43-6"	NA	NA	"Public_CrossChecked"	"CC1N=C(CCC)N2NC(=NC(=O)C2=1)C1=CC(=CC=C1OCC)S(O)(=O)=O"	"?"	"InChI=1S/C17H20N4O5S/c1-4-6-14-18-10(3)15-17(22)19-16(20-21(14)15)12-9-11(27(23,24)25)7-8-13(12)26-5-2/h7-9H,4-6H2,1-3H3,(H,19,20,22)(H,23,24,25)"	"XTMCEBZOWCIYQF-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"4390-04-9"	"DTXSID7052101"	"2,2,4,4,6,8,8-Heptamethylnonane"	"EPA_DSSTox"	"CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C"	"?"	"InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3"	"VCLJODPNBNEBKW-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"4394-00-7"	"DTXSID1023368"	"Niflumic acid"	"EPA_DSSTox"	"OC(=O)C1=CC=CN=C1NC1C=C(C=CC=1)C(F)(F)F"	"?"	"InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)"	"JZFPYUNJRRFVQU-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"4394-77-8"	NA	NA	"Public_CrossChecked"	"Cc1cc(=O)oc2cc(ccc21)OP(=O)(OCCCl)OCCCl"	"?"	"InChI=1S/C14H15Cl2O6P/c1-10-8-14(17)21-13-9-11(2-3-12(10)13)22-23(18,19-6-4-15)20-7-5-16/h2-3,8-9H,4-7H2,1H3"	"JIRVRDYVMCZPLS-UHFFFAOYSA-N"	FALSE	FALSE	141	2	3
"4395-92-0"	"DTXSID2052102"	"4-Isopropylphenylacetaldehyde"	"EPA_DSSTox"	"CC(C)C1C=CC(CC=C)=CC=1"	"?"	"InChI=1S/C12H16/c1-4-5-11-6-8-12(9-7-11)10(2)3/h4,6-10H,1,5H2,2-3H3"	"QBLYEXXCHLBGNO-UHFFFAOYSA-N"	FALSE	TRUE	4100	3	5
"440-17-5"	"DTXSID1045085"	"Fluoperazine dihydrochloride"	"EPA_DSSTox"	"CN1CCN(CCCN2C3C=CC=CC=3SC3C=CC(=CC2=3)C(F)(F)F)CC1"	"Cl.Cl"	"InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3"	"ZEWQUBUPAILYHI-UHFFFAOYSA-N"	FALSE	FALSE	543	3	4
"440-58-4"	"DTXSID1023150"	"Iodamide"	"EPA_DSSTox"	"CC(=O)NCC1C(I)=C(NC(C)=O)C(I)=C(C(O)=O)C=1I"	"?"	"InChI=1S/C12H11I3N2O4/c1-4(18)16-3-6-8(13)7(12(20)21)10(15)11(9(6)14)17-5(2)19/h3H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)"	"VVDGWALACJEJKG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"4403-90-1"	"DTXSID2024903"	"D&C Green 5"	"EPA_DSSTox"	"CC1C=C(C(=CC=1)NC1C=CC(NC2=CC=C(C)C=C2S(O)(=O)=O)=C2C=1C(=O)C1C=CC=CC=1C2=O)S(O)(=O)=O"	"[Na+].[Na+]"	"InChI=1S/C28H22N2O8S2/c1-15-7-9-19(23(13-15)39(33,34)35)29-21-11-12-22(30-20-10-8-16(2)14-24(20)40(36,37)38)26-25(21)27(31)17-5-3-4-6-18(17)28(26)32/h3-14,29-30H,1-2H3,(H,33,34,35)(H,36,37,38)"	"BGBDMEPBLWJCHI-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"4404-43-7"	"DTXSID0029264"	"C.I. Fluorescent brightening agent 28"	"EPA_DSSTox"	"OS(=O)(=O)C1C=C(C=CC=1C=CC1=CC=C(C=C1S(O)(=O)=O)NC1N=C(N=C(NC2C=CC=CC=2)N=1)N(CCO)CCO)NC1N=C(N=C(NC2C=CC=CC=2)N=1)N(CCO)CCO"	"?"	"InChI=1S/C40H44N12O10S2/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50)"	"CNGYZEMWVAWWOB-UHFFFAOYSA-N"	FALSE	TRUE	12080	4	5
"4413-13-2"	"DTXSID20196050"	"Ethane, 1-butoxy-2-ethoxy-"	"EPA_DSSTox"	"CCOCCOCCCC"	"?"	"InChI=1S/C8H18O2/c1-3-5-6-10-8-7-9-4-2/h3-8H2,1-2H3"	"ZWPUOFSQNASCII-UHFFFAOYSA-N"	FALSE	TRUE	2830	3	5
"4415-51-4"	NA	NA	"Public_CrossChecked"	"O=C(C=CC1C=CC=CN=1)OCCN1CCN(CC1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C20H22ClN3O2/c21-17-4-7-19(8-5-17)24-13-11-23(12-14-24)15-16-26-20(25)9-6-18-3-1-2-10-22-18/h1-10H,11-16H2"	"BBSJPRAFZYZZGW-UHFFFAOYSA-N"	FALSE	FALSE	478	2	4
"4418-66-0"	"DTXSID1041768"	"Chlorbisan"	"EPA_DSSTox"	"CC1=CC(Cl)=CC(SC2C=C(Cl)C=C(C)C=2O)=C1O"	"?"	"InChI=1S/C14H12Cl2O2S/c1-7-3-9(15)5-11(13(7)17)19-12-6-10(16)4-8(2)14(12)18/h3-6,17-18H,1-2H3"	"DFLQADJJFCUSAX-UHFFFAOYSA-N"	TRUE	FALSE	1.3	1	1
"4425-95-0"	"DTXSID50196083"	"Fluorene-9,9-dipropionic acid"	"EPA_DSSTox"	"OC(=O)CCC1(CCC(O)=O)C2C=CC=CC=2C2C=CC=CC1=2"	"?"	"InChI=1S/C19H18O4/c20-17(21)9-11-19(12-10-18(22)23)15-7-3-1-5-13(15)14-6-2-4-8-16(14)19/h1-8H,9-12H2,(H,20,21)(H,22,23)"	"HVIAEALBBMNFIW-UHFFFAOYSA-N"	FALSE	TRUE	2140	3	5
"4425-97-2"	"DTXSID10196084"	"Fluorene-9,9-dipropionitrile"	"EPA_DSSTox"	"N#CCCC1(CCC#N)C2C=CC=CC=2C2C=CC=CC1=2"	"?"	"InChI=1S/C19H16N2/c20-13-5-11-19(12-6-14-21)17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10H,5-6,11-12H2"	"COWHDUMHYFLLER-UHFFFAOYSA-N"	FALSE	TRUE	2180	3	5
"443-48-1"	"DTXSID2020892"	"Metronidazole"	"EPA_DSSTox"	"CC1=NC=C(N1CCO)[N+]([O-])=O"	"?"	"InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3"	"VAOCPAMSLUNLGC-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"4430-31-3"	"DTXSID7052105"	"Octahydro-2H-1-benzopyran-2-one"	"EPA_DSSTox"	"O=C1CCC2CCCCC2O1"	"?"	"InChI=1S/C9H14O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h7-8H,1-6H2"	"MSFLYJIWLHSQLG-UHFFFAOYSA-N"	FALSE	TRUE	3900	3	5
"4431-83-8"	"DTXSID20196131"	"2,5,7,10-Tetraoxaundecane"	"EPA_DSSTox"	"COCCOCOCCOC"	"?"	"InChI=1S/C7H16O4/c1-8-3-5-10-7-11-6-4-9-2/h3-7H2,1-2H3"	"QWRBKBNCFWPVJX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"4433-36-7"	"DTXSID70110009"	"6,10-Dimethyl-9-undecen-2-one"	"EPA_DSSTox"	"CC(C)=CCCC(C)CCCC(C)=O"	"?"	"InChI=1S/C13H24O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,12H,5-6,8-10H2,1-4H3"	"LGVYUZVANMHKHV-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"4433-79-8"	"DTXSID5029265"	"N-(4-Chloro-2,5-dimethoxyphenyl)-3-oxobutanamide"	"EPA_DSSTox"	"CC(=O)CC(=O)NC1C=C(OC)C(Cl)=CC=1OC"	"?"	"InChI=1S/C12H14ClNO4/c1-7(15)4-12(16)14-9-6-10(17-2)8(13)5-11(9)18-3/h5-6H,4H2,1-3H3,(H,14,16)"	"MOUVJGIRLPZEES-UHFFFAOYSA-N"	FALSE	FALSE	850	3	4
"4437-85-8"	"DTXSID9040342"	"Butylene carbonate"	"EPA_DSSTox"	"CCC1COC(=O)O1"	"?"	"InChI=1S/C5H8O3/c1-2-4-3-7-5(6)8-4/h4H,2-3H2,1H3"	"ZZXUZKXVROWEIF-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"4439-24-1"	"DTXSID3063469"	"Ethylene glycol monoisobutyl ether"	"EPA_DSSTox"	"CC(C)COCCO"	"?"	"InChI=1S/C6H14O2/c1-6(2)5-8-4-3-7/h6-7H,3-5H2,1-2H3"	"HHAPGMVKBLELOE-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"444-27-9"	"DTXSID9023675"	"Timonacic"	"EPA_DSSTox"	"OC(=O)C1CSCN1"	"?"	"InChI=1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)"	"DZLNHFMRPBPULJ-UHFFFAOYSA-N"	FALSE	FALSE	875	3	4
"446-86-6"	"DTXSID4020119"	"Azathioprine"	"EPA_DSSTox"	"CN1C=NC(=C1SC1N=CN=C2N=CNC=12)[N+]([O-])=O"	"?"	"InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)"	"LMEKQMALGUDUQG-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"4460-32-6"	"DTXSID90196244"	"Diiodobenzotepa"	"EPA_DSSTox"	"O=C(NP(=O)(N1CC1)N1CC1)C1C=C(I)C=CC=1I"	"?"	"InChI=1S/C11H12I2N3O2P/c12-8-1-2-10(13)9(7-8)11(17)14-19(18,15-3-4-15)16-5-6-16/h1-2,7H,3-6H2,(H,14,17,18)"	"BFKKCDNAUZMDOX-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"4467-21-4"	NA	NA	"Public_CrossChecked"	"Cc1c(Cl)c(=O)oc2cc(ccc21)OP(=O)(OCCCCl)OCCCCl"	"?"	"InChI=1S/C16H18Cl3O6P/c1-11-13-5-4-12(10-14(13)24-16(20)15(11)19)25-26(21,22-8-2-6-17)23-9-3-7-18/h4-5,10H,2-3,6-9H2,1H3"	"DLPJKVIZJBVNNT-UHFFFAOYSA-N"	FALSE	FALSE	211	2	3
"4468-93-3"	"DTXSID60196276"	"Ethanol, 2-(2-ethylbutoxy)-"	"EPA_DSSTox"	"CCC(COCCO)CC"	"?"	"InChI=1S/C8H18O2/c1-3-8(4-2)7-10-6-5-9/h8-9H,3-7H2,1-2H3"	"ZKCAGDPACLOVBN-UHFFFAOYSA-N"	FALSE	FALSE	1910	3	4
"4471-27-6"	"DTXSID70196282"	"Azelaic acid, cyclic ethylene ester"	"EPA_DSSTox"	"O=C1CCCCCCCC(=O)OCCO1"	"?"	"InChI=1S/C11H18O4/c12-10-6-4-2-1-3-5-7-11(13)15-9-8-14-10/h1-9H2"	"QABJRPWOBYCMBO-UHFFFAOYSA-N"	FALSE	TRUE	9200	4	5
"4471-41-4"	"DTXSID1063487"	"9,10-Anthracenedione, 1,4-bis[(2-hydroxyethyl)amino]-"	"EPA_DSSTox"	"OCCNC1C=CC(NCCO)=C2C=1C(=O)C1=CC=CC=C1C2=O"	"?"	"InChI=1S/C18H18N2O4/c21-9-7-19-13-5-6-14(20-8-10-22)16-15(13)17(23)11-3-1-2-4-12(11)18(16)24/h1-6,19-22H,7-10H2"	"PAZPNGYXNBABCM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"4474-24-2"	"DTXSID2041705"	"C.I. Acid Blue 80"	"EPA_DSSTox"	"CC1C=C(C)C(=C(C)C=1NC1C=CC(NC2C(C)=C(C(C)=CC=2C)S(O)(=O)=O)=C2C=1C(=O)C1C=CC=CC=1C2=O)S(O)(=O)=O"	"[Na+].[Na+]"	"InChI=1S/C32H30N2O8S2/c1-15-13-17(3)31(43(37,38)39)19(5)27(15)33-23-11-12-24(26-25(23)29(35)21-9-7-8-10-22(21)30(26)36)34-28-16(2)14-18(4)32(20(28)6)44(40,41)42/h7-14,33-34H,1-6H3,(H,37,38,39)(H,40,41,42)"	"ZATHVTMEPLUQKK-UHFFFAOYSA-N"	FALSE	TRUE	3350	3	5
"4475-95-0"	"DTXSID9027572"	"2-Amino-2-methyl-butyronitrile"	"EPA_DSSTox"	"CCC(C)(N)C#N"	"?"	"InChI=1S/C5H10N2/c1-3-5(2,7)4-6/h3,7H2,1-2H3"	"JCLSEQJEXYHVTC-UHFFFAOYSA-N"	FALSE	FALSE	74	2	3
"4478-63-1"	NA	NA	"Public_CrossChecked"	"CC(=O)C1OC1(C)C"	"?"	"InChI=1S/C6H10O2/c1-4(7)5-6(2,3)8-5/h5H,1-3H3"	"NNQKVIBIXATSIX-UHFFFAOYSA-N"	FALSE	FALSE	1610	3	4
"4479-75-8"	"DTXSID50196301"	"Senecioic acid amide"	"EPA_DSSTox"	"CC(C)=CC(N)=O"	"?"	"InChI=1S/C5H9NO/c1-4(2)3-5(6)7/h3H,1-2H3,(H2,6,7)"	"WHNPOQXWAMXPTA-UHFFFAOYSA-N"	FALSE	TRUE	3561	3	5
"4484-61-1"	"DTXSID80196319"	"Ethanol, 2-(methoxymethoxy)-"	"EPA_DSSTox"	"COCOCCO"	"?"	"InChI=1S/C4H10O3/c1-6-4-7-3-2-5/h5H,2-4H2,1H3"	"INFFATMFXZFLAO-UHFFFAOYSA-N"	FALSE	TRUE	6500	4	5
"4485-12-5"	"DTXSID2029666"	"Lithium octadecanoate"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCC(O)=O"	"[Li+]"	"InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)"	"QIQXTHQIDYTFRH-UHFFFAOYSA-N"	FALSE	TRUE	15000	4	5
"4486-44-6"	"DTXSID30196324"	"Diisopropylthiophosphate"	"EPA_DSSTox"	"CC(C)OP(O)(=S)OC(C)C"	"?"	"InChI=1S/C6H15O3PS/c1-5(2)8-10(7,11)9-6(3)4/h5-6H,1-4H3,(H,7,11)"	"RPSWUJJTYUNDDU-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"4488-57-7"	"DTXSID70884076"	"4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydro-"	"EPA_DSSTox"	"C1C=CC2C1C1CC2CC1"	"?"	"InChI=1S/C10H14/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,7-10H,3-6H2"	"HANKSFAYJLDDKP-UHFFFAOYSA-N"	FALSE	FALSE	670	3	4
"4492-96-0"	NA	NA	"Public_CrossChecked"	"COP(=O)(NC)OC1C=CC(=CC=1Cl)C(C)(C)CC"	"?"	"InChI=1S/C13H21ClNO3P/c1-6-13(2,3)10-7-8-12(11(14)9-10)18-19(16,15-4)17-5/h7-9H,6H2,1-5H3,(H,15,16)"	"QSXWTGFXQDSZDO-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"4498-32-2"	"DTXSID7022916"	"Dibenzepin"	"EPA_DSSTox"	"CN(C)CCN1C(=O)C2C=CC=CC=2N(C)C2C=CC=CC1=2"	"?"	"InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3"	"QPGGEKPRGVJKQB-UHFFFAOYSA-N"	FALSE	FALSE	220	2	3
"4499-01-8"	"DTXSID5063497"	"2-Anthracenesulfonic acid, 1-amino-4-[[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, disodium salt"	"EPA_DSSTox"	"NC1=C2C(=C(C=C1S(O)(=O)=O)NC1=CC(NC3N=C(Cl)N=C(Cl)N=3)=C(C=C1)S(O)(=O)=O)C(=O)C1C=CC=CC=1C2=O"	"[Na+].[Na+]"	"InChI=1S/C23H14Cl2N6O8S2/c24-21-29-22(25)31-23(30-21)28-12-7-9(5-6-14(12)40(34,35)36)27-13-8-15(41(37,38)39)18(26)17-16(13)19(32)10-3-1-2-4-11(10)20(17)33/h1-8,27H,26H2,(H,34,35,36)(H,37,38,39)(H,28,29,30,31)"	"RTLULCVBFCRQKI-UHFFFAOYSA-N"	FALSE	TRUE	8980	4	5
"44992-01-0"	"DTXSID2028016"	"2-(Dimethylamino)ethyl acrylate methochloride"	"EPA_DSSTox"	"C[N+](C)(C)CCOC(=O)C=C"	"[Cl-]"	"InChI=1S/C8H16NO2/c1-5-8(10)11-7-6-9(2,3)4/h5H,1,6-7H2,2-4H3/q+1"	"AIUAMYPYEUQVEM-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"450-55-5"	NA	NA	"Public_CrossChecked"	"O=C(CF)NC1C=CC(=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C14H12FNO/c15-10-14(17)16-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)"	"OAEPFZQRKPBDMF-UHFFFAOYSA-N"	TRUE	FALSE	10	1	2
"4500-29-2"	"DTXSID5063499"	"Ethanol, 2,2'-(cyclohexylimino)bis-"	"EPA_DSSTox"	"OCCN(CCO)C1CCCCC1"	"?"	"InChI=1S/C10H21NO2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h10,12-13H,1-9H2"	"HHPDFYDITNAMAM-UHFFFAOYSA-N"	FALSE	TRUE	2600	3	5
"4501-58-0"	"DTXSID3044756"	"[(1R)-2,2,3-Trimethylcyclopent-3-en-1-yl]acetaldehyde"	"EPA_DSSTox"	"CC1=CCC(CC=O)C1(C)C"	"?"	"InChI=1S/C10H16O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,7,9H,5-6H2,1-3H3"	"OGCGGWYLHSJRFY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"4510-65-0"	NA	NA	"Public_CrossChecked"	"CN(C)CCC=C(C1C=CC=CC=1)C1C=CC(=CC=1)C(F)(F)F"	"Cl"	"InChI=1S/C19H20F3N/c1-23(2)14-6-9-18(15-7-4-3-5-8-15)16-10-12-17(13-11-16)19(20,21)22/h3-5,7-13H,6,14H2,1-2H3"	"ZWADQKBIAKHZFT-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"4513-53-5"	"DTXSID20196398"	"Methacrylic acid, ester with hydracryonitrile"	"EPA_DSSTox"	"CC(=C)C(=O)OCCC#N"	"?"	"InChI=1S/C7H9NO2/c1-6(2)7(9)10-5-3-4-8/h1,3,5H2,2H3"	"VKNASXZDGZNEDA-UHFFFAOYSA-N"	FALSE	TRUE	7333	4	5
"4515-30-4"	"DTXSID90196406"	"Benzenesulfonic acid, 2-chloro-3,5-dinitro-, sodium salt"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC(=C(Cl)C(=C1)[N+]([O-])=O)S(O)(=O)=O"	"[Na+]"	"InChI=1S/C6H3ClN2O7S/c7-6-4(9(12)13)1-3(8(10)11)2-5(6)17(14,15)16/h1-2H,(H,14,15,16)"	"ODEUZCDONYETMV-UHFFFAOYSA-N"	FALSE	FALSE	1460	3	4
"452-06-2"	"DTXSID40196416"	"2-Aminopurine"	"EPA_DSSTox"	"NC1N=C2N=CNC2=CN=1"	"?"	"InChI=1S/C5H5N5/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H3,6,7,8,9,10)"	"MWBWWFOAEOYUST-UHFFFAOYSA-N"	FALSE	FALSE	723	3	4
"4525-33-1"	"DTXSID2052108"	"Dimethyl dicarbonate"	"EPA_DSSTox"	"COC(=O)OC(=O)OC"	"?"	"InChI=1S/C4H6O5/c1-7-3(5)9-4(6)8-2/h1-2H3"	"GZDFHIJNHHMENY-UHFFFAOYSA-N"	FALSE	FALSE	260	2	3
"453-18-9"	"DTXSID3073185"	"Acetic acid, fluoro-, methyl ester"	"EPA_DSSTox"	"COC(=O)CF"	"?"	"InChI=1S/C3H5FO2/c1-6-3(5)2-4/h2H2,1H3"	"RJBYSQHLLIHSLT-UHFFFAOYSA-N"	TRUE	FALSE	3.5	1	1
"454-31-9"	"DTXSID0060010"	"Acetic acid, difluoro-, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)C(F)F"	"?"	"InChI=1S/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3"	"GZKHDVAKKLTJPO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"4544-15-4"	"DTXSID2047850"	"Piperilate hydrochloride"	"EPA_DSSTox"	"OC(C(=O)OCCN1CCCCC1)(C1C=CC=CC=1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C21H25NO3/c23-20(25-17-16-22-14-8-3-9-15-22)21(24,18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,24H,3,8-9,14-17H2"	"RZWPJFMNFATBEG-UHFFFAOYSA-N"	FALSE	FALSE	1210	3	4
"4548-53-2"	"DTXSID2021234"	"FD&C Red 4"	"EPA_DSSTox"	"CC1C=C(C)C(=CC=1S(O)(=O)=O)N=NC1C=C(C2C=CC=CC=2C=1O)S(O)(=O)=O"	"[Na+].[Na+]"	"InChI=1S/C18H16N2O7S2/c1-10-7-11(2)16(28(22,23)24)8-14(10)19-20-15-9-17(29(25,26)27)12-5-3-4-6-13(12)18(15)21/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27)"	"DZCOAQKTFAIFRV-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"455-14-1"	"DTXSID5060013"	"4-(Trifluoromethyl)aniline"	"EPA_DSSTox"	"NC1=CC=C(C=C1)C(F)(F)F"	"?"	"InChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2"	"ODGIMMLDVSWADK-UHFFFAOYSA-N"	FALSE	FALSE	128	2	3
"4551-59-1"	NA	NA	"Public_CrossChecked"	"CCOC(=O)C(CC)(C1C=CC=CC=1)C(=O)NCCN(CC)CC"	"?"	"InChI=1S/C19H30N2O3/c1-5-19(18(23)24-8-4,16-12-10-9-11-13-16)17(22)20-14-15-21(6-2)7-3/h9-13H,5-8,14-15H2,1-4H3,(H,20,22)"	"RMQKPRRJSKFBRU-UHFFFAOYSA-N"	FALSE	FALSE	610	3	4
"4553-89-3"	"DTXSID9020324"	"Chocolate Brown HT"	"EPA_DSSTox"	"OCC1=CC(N=NC2=CC=C(C3=CC=CC=C32)S(O)(=O)=O)=C(O)C(N=NC2=CC=C(C3=CC=CC=C23)S(O)(=O)=O)=C1O"	"[Na+].[Na+]"	"InChI=1S/C27H20N4O9S2/c32-14-15-13-22(30-28-20-9-11-23(41(35,36)37)18-7-3-1-5-16(18)20)27(34)25(26(15)33)31-29-21-10-12-24(42(38,39)40)19-8-4-2-6-17(19)21/h1-13,32-34H,14H2,(H,35,36,37)(H,38,39,40)"	"ZMJZWRQKSFYRJU-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"4559-86-8"	"DTXSID7043902"	"1,1,3,3-Tetrabutylurea"	"EPA_DSSTox"	"CCCCN(CCCC)C(=O)N(CCCC)CCCC"	"?"	"InChI=1S/C17H36N2O/c1-5-9-13-18(14-10-6-2)17(20)19(15-11-7-3)16-12-8-4/h5-16H2,1-4H3"	"SNDGLCYYBKJSOT-UHFFFAOYSA-N"	FALSE	TRUE	16742	4	5
"456-59-7"	"DTXSID4022862"	"Cyclandelate"	"EPA_DSSTox"	"CC1CC(C)(C)CC(C1)OC(=O)C(O)C1=CC=CC=C1"	"?"	"InChI=1S/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3"	"WZHCOOQXZCIUNC-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"4560-93-4"	NA	NA	"Public_CrossChecked"	"CCCCSSC(Cl)C(Cl)Cl"	"?"	"InChI=1S/C6H11Cl3S2/c1-2-3-4-10-11-6(9)5(7)8/h5-6H,2-4H2,1H3"	"YBBKIICIEUHEPI-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"457-43-2"	NA	NA	"Public_CrossChecked"	"O=C(CF)NC1=CC=CC=N1"	"?"	"InChI=1S/C7H7FN2O/c8-5-7(11)10-6-3-1-2-4-9-6/h1-4H,5H2,(H,9,10,11)"	"YZCRMPXTSFCUNW-UHFFFAOYSA-N"	TRUE	FALSE	8	1	2
"4570-41-6"	"DTXSID90196603"	"Benzoxazol-2-amine"	"EPA_DSSTox"	"NC1=NC2C=CC=CC=2O1"	"?"	"InChI=1S/C7H6N2O/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)"	"JPBLHOJFMBOCAF-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"458-24-2"	"DTXSID4023044"	"Fenfluramine"	"EPA_DSSTox"	"CCNC(C)CC1=CC(=CC=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"	FALSE	FALSE	130	2	3
"458-37-7"	"DTXSID8031077"	"Curcumin"	"EPA_DSSTox"	"COC1C=C(C=CC=1O)C=CC(=O)CC(=O)C=CC1=CC(OC)=C(O)C=C1"	"?"	"InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3"	"VFLDPWHFBUODDF-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"4584-46-7"	"DTXSID7052109"	"(2-Chloroethyl)dimethylamine hydrochloride"	"EPA_DSSTox"	"CN(C)CCCl"	"Cl"	"InChI=1S/C4H10ClN/c1-6(2)4-3-5/h3-4H2,1-2H3"	"WQMAANNAZKNUDL-UHFFFAOYSA-N"	FALSE	FALSE	238	2	3
"459-80-3"	"DTXSID0047115"	"Geranic acid"	"EPA_DSSTox"	"CC(C)=CCCC(C)=CC(O)=O"	"?"	"InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)"	"ZHYZQXUYZJNEHD-UHFFFAOYSA-N"	FALSE	TRUE	3700	3	5
"4602-84-0"	"DTXSID3032389"	"Farnesol"	"EPA_DSSTox"	"CC(C)=CCCC(C)=CCCC(C)=CCO"	"?"	"InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3"	"CRDAMVZIKSXKFV-UHFFFAOYSA-N"	FALSE	TRUE	6000	4	5
"461-78-9"	"DTXSID0022806"	"Chlorphentermine"	"EPA_DSSTox"	"CC(C)(N)CC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C10H14ClN/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6H,7,12H2,1-2H3"	"ZCKAMNXUHHNZLN-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"461432-25-7"	"DTXSID50439487"	"(2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate"	"EPA_DSSTox"	"CCOC1C=CC(CC2=CC(=CC=C2Cl)C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)=CC=1"	"?"	"InChI=1S/C29H33ClO10/c1-6-35-23-10-7-20(8-11-23)13-22-14-21(9-12-24(22)30)26-28(38-18(4)33)29(39-19(5)34)27(37-17(3)32)25(40-26)15-36-16(2)31/h7-12,14,25-29H,6,13,15H2,1-5H3"	"DKOQYKRDCDCNOR-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"4618-18-2"	"DTXSID5045833"	"Lactulose"	"EPA_DSSTox"	"OC1C(O)C(OC(CO)C1O)OC1C(CO)OC(O)(CO)C1O"	"?"	"InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2"	"JCQLYHFGKNRPGE-UHFFFAOYSA-N"	FALSE	TRUE	18160	4	5
"4619-66-3"	"DTXSID80196753"	"Methyl 2-acetylacetoacetate"	"EPA_DSSTox"	"COC(=O)C(C(C)=O)C(C)=O"	"?"	"InChI=1S/C7H10O4/c1-4(8)6(5(2)9)7(10)11-3/h6H,1-3H3"	"UHCPCQYUMVLUKU-UHFFFAOYSA-N"	FALSE	FALSE	1700	3	4
"4620-70-6"	"DTXSID1044431"	"2-(tert-Butylamino)ethanol"	"EPA_DSSTox"	"CC(C)(C)NCCO"	"?"	"InChI=1S/C6H15NO/c1-6(2,3)7-4-5-8/h7-8H,4-5H2,1-3H3"	"IUXYVKZUDNLISR-UHFFFAOYSA-N"	FALSE	FALSE	1620	3	4
"4621-04-9"	"DTXSID2047149"	"4-Isopropylcyclohexanol"	"EPA_DSSTox"	"CC(C)C1CCC(O)CC1"	"?"	"InChI=1S/C9H18O/c1-7(2)8-3-5-9(10)6-4-8/h7-10H,3-6H2,1-2H3"	"DKKRDMLKVSKFMJ-UHFFFAOYSA-N"	FALSE	TRUE	2750	3	5
"463-71-8"	"DTXSID2060046"	"Thiophosgene"	"EPA_DSSTox"	"S=C(Cl)Cl"	"?"	"InChI=1S/CCl2S/c2-1(3)4"	"ZWZVWGITAAIFPS-UHFFFAOYSA-N"	FALSE	FALSE	929	3	4
"4630-95-9"	"DTXSID3023508"	"Prifinium bromide"	"EPA_DSSTox"	"CC1C(CC[N+]1(CC)CC)=C(C1C=CC=CC=1)C1C=CC=CC=1"	"[Br-]"	"InChI=1S/C22H28N/c1-4-23(5-2)17-16-21(18(23)3)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18H,4-5,16-17H2,1-3H3/q+1"	"ZYEPZINLLPPBMI-UHFFFAOYSA-N"	FALSE	FALSE	1090	3	4
"4634-47-3"	NA	NA	"Public_CrossChecked"	"COCCN1C(=O)C2C(C3C(C2C=C3C(O)(C2C=CC=CN=2)C2C=CC=CC=2)=C(C2C=CC=CN=2)C2C=CC=CC=2)C1=O"	"?"	"InChI=1S/C36H31N3O4/c1-43-21-20-39-34(40)31-25-22-26(36(42,24-14-6-3-7-15-24)28-17-9-11-19-38-28)32(33(31)35(39)41)30(25)29(23-12-4-2-5-13-23)27-16-8-10-18-37-27/h2-19,22,25,31-33,42H,20-21H2,1H3"	"CZRVESFFOVRRLM-UHFFFAOYSA-N"	TRUE	FALSE	9	1	2
"4634-51-9"	NA	NA	"Public_CrossChecked"	"CCCN1C(=O)C2C(C3C=C(C2C3=C(C2C=CC=CN=2)C2C=CC=CC=2)C(O)(C2C=CC=CN=2)C2C=CC=CC=2)C1=O"	"?"	"InChI=1S/C36H31N3O3/c1-2-21-39-34(40)31-25-22-26(36(42,24-15-7-4-8-16-24)28-18-10-12-20-38-28)32(33(31)35(39)41)30(25)29(23-13-5-3-6-14-23)27-17-9-11-19-37-27/h3-20,22,25,31-33,42H,2,21H2,1H3"	"PVCKRKALSRCZBS-UHFFFAOYSA-N"	TRUE	FALSE	34.5	1	2
"4635-59-0"	"DTXSID6052114"	"4-Chlorobutyryl chloride"	"EPA_DSSTox"	"O=C(Cl)CCCCl"	"?"	"InChI=1S/C4H6Cl2O/c5-3-1-2-4(6)7/h1-3H2"	"CDIIZULDSLKBKV-UHFFFAOYSA-N"	FALSE	FALSE	1350	3	4
"4635-87-4"	"DTXSID1025851"	"3-Pentenenitrile"	"EPA_DSSTox"	"CC=CCC#N"	"?"	"InChI=1S/C5H7N/c1-2-3-4-5-6/h2-3H,4H2,1H3"	"UVKXJAUUKPDDNW-UHFFFAOYSA-N"	TRUE	FALSE	46.6	1	2
"46355-07-1"	NA	NA	"Public_CrossChecked"	"CC(C)OP(O)(=O)OC1C=CC=CC=1"	"?"	"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"	FALSE	TRUE	NA	4	5
"4637-24-5"	"DTXSID3063540"	"Methanamine, 1,1-dimethoxy-N,N-dimethyl-"	"EPA_DSSTox"	"CN(C)C(OC)OC"	"?"	"InChI=1S/C5H13NO2/c1-6(2)5(7-3)8-4/h5H,1-4H3"	"ZSXGLVDWWRXATF-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"464-45-9"	"DTXSID3022035"	"[(1S)-endo]-(-)-Borneol"	"EPA_DSSTox"	"CC1(C)C2CC(O)C1(C)CC2"	"?"	"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"	FALSE	TRUE	5800	4	5
"465-42-9"	NA	NA	"Public_CrossChecked"	"CC1(C)CC(O)CC1(C)C(=O)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C"	"?"	"InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34-35,41-42H,25-28H2,1-10H3"	"VYIRVAXUEZSDNC-UHFFFAOYSA-N"	FALSE	TRUE	11250	4	5
"465-73-6"	"DTXSID7042065"	"Isodrin"	"EPA_DSSTox"	"ClC1(Cl)C2(Cl)C3C4CC(C=C4)C3C1(Cl)C(Cl)=C2Cl"	"?"	"InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2"	"QBYJBZPUGVGKQQ-UHFFFAOYSA-N"	TRUE	FALSE	7	1	2
"466-11-5"	"DTXSID80196879"	"Dexamethasone sodium hemisulfate"	"EPA_DSSTox"	"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COS(O)(=O)=O"	"[Na+]"	"InChI=1S/C22H29FO8S/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H,28,29,30)"	"URGVZGFGWFYRGP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"467-69-6"	"DTXSID0075029"	"Flurenol"	"EPA_DSSTox"	"OC(=O)C1(O)C2C=CC=CC=2C2C=CC=CC1=2"	"?"	"InChI=1S/C14H10O3/c15-13(16)14(17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,17H,(H,15,16)"	"GXAMYUGOODKVRM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"4671-93-6"	"DTXSID70196924"	"Benzyl selenocyanate"	"EPA_DSSTox"	"N#C[Se]CC1C=CC=CC=1"	"?"	"InChI=1S/C8H7NSe/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2"	"WSKWDMOVMQKKQI-UHFFFAOYSA-N"	FALSE	FALSE	98.5	2	3
"467430-13-3"	"DTXSID90602017"	"{Carboxy[2-methyl-1-(propanoyloxy)propoxy]methyl}(oxo)(4-phenylbutyl)phosphanium"	"EPA_DSSTox"	"CC(C)C(OC(C(O)=O)[P+](=O)CCCCC1C=CC=CC=1)OC(=O)CC"	"?"	"InChI=1S/C19H27O6P/c1-4-16(20)24-18(14(2)3)25-19(17(21)22)26(23)13-9-8-12-15-10-6-5-7-11-15/h5-7,10-11,14,18-19H,4,8-9,12-13H2,1-3H3/p+1"	"DZMOWBLKJVKZMK-UHFFFAOYSA-O"	FALSE	TRUE	NA	3	5
"468-61-1"	"DTXSID0048343"	"Oxeladin"	"EPA_DSSTox"	"CCN(CCOCCOC(=O)C(CC)(CC)C1C=CC=CC=1)CC"	"?"	"InChI=1S/C20H33NO3/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4/h9-13H,5-8,14-17H2,1-4H3"	"IQADUMSPOQKAAO-UHFFFAOYSA-N"	FALSE	FALSE	183	2	3
"4680-78-8"	"DTXSID3020671"	"FD&C Green No. 1"	"EPA_DSSTox"	"CC[N+](CC1=CC(=CC=C1)S(O)(=O)=O)=C1C=CC(C=C1)=C(C1C=CC=CC=1)C1C=CC(=CC=1)N(CC1C=C(C=CC=1)S(O)(=O)=O)CC"	"[Na+]"	"InChI=1S/C37H36N2O6S2/c1-3-38(26-28-10-8-14-35(24-28)46(40,41)42)33-20-16-31(17-21-33)37(30-12-6-5-7-13-30)32-18-22-34(23-19-32)39(4-2)27-29-11-9-15-36(25-29)47(43,44)45/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45)/p+1"	"SRRJCDUOSQWHGS-UHFFFAOYSA-O"	FALSE	TRUE	NA	3	5
"4681-36-1"	NA	NA	"Public_CrossChecked"	"CCOP(=S)(OCC)SC(C(=O)OCCF)C1C=CC=CC=1"	"?"	"InChI=1S/C14H20FO4PS2/c1-3-18-20(21,19-4-2)22-13(14(16)17-11-10-15)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3"	"IKSBWMCKMIWLDZ-UHFFFAOYSA-N"	TRUE	FALSE	5	1	2
"46817-91-8"	"DTXSID6057900"	"Viloxazine"	"EPA_DSSTox"	"CCOC1C=CC=CC=1OCC1CNCCO1"	"?"	"InChI=1S/C13H19NO3/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11/h3-6,11,14H,2,7-10H2,1H3"	"YWPHCCPCQOJSGZ-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"46830-22-2"	"DTXSID9050430"	"N-(2-Acryloyloxyethyl)-N-benzyl-N,N-dimethylammonium chloride"	"EPA_DSSTox"	"C[N+](C)(CC1C=CC=CC=1)CCOC(=O)C=C"	"[Cl-]"	"InChI=1S/C14H20NO2/c1-4-14(16)17-11-10-15(2,3)12-13-8-6-5-7-9-13/h4-9H,1,10-12H2,2-3H3/q+1"	"CQLNQGQDXMGDBC-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"4685-14-7"	"DTXSID3034799"	"Paraquat"	"EPA_DSSTox"	"C[N+]1C=CC(=CC=1)C1C=C[N+](C)=CC=1"	"?"	"InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2"	"INFDPOAKFNIJBF-UHFFFAOYSA-N"	FALSE	FALSE	106	2	3
"469-62-5"	"DTXSID1023524"	"Propoxyphene"	"EPA_DSSTox"	"CCC(=O)OC(CC1C=CC=CC=1)(C(C)CN(C)C)C1C=CC=CC=1"	"?"	"InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3"	"XLMALTXPSGQGBX-UHFFFAOYSA-N"	FALSE	FALSE	135	2	3
"4691-65-0"	"DTXSID4044242"	"Disodium inosinate"	"EPA_DSSTox"	"OP(O)(=O)OCC1OC(C(O)C1O)N1C=NC2=C1N=CNC2=O"	"[Na+].[Na+]"	"InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)"	"GRSZFWQUAKGDAV-UHFFFAOYSA-N"	FALSE	TRUE	15900	4	5
"46948-72-5"	"DTXSID1068487"	"Hexanoic acid, 6-[methyl(phenylsulfonyl)amino]-"	"EPA_DSSTox"	"CN(CCCCCC(O)=O)S(=O)(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C13H19NO4S/c1-14(11-7-3-6-10-13(15)16)19(17,18)12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,15,16)"	"ASJPRZHJNRBKTI-UHFFFAOYSA-N"	FALSE	TRUE	3040	3	5
"4695-13-0"	"DTXSID80196995"	"2,2-Diphenylacetamide"	"EPA_DSSTox"	"NC(=O)C(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C14H13NO/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H2,15,16)"	"ZXQVXEAZKZFEEP-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"4696-76-8"	"DTXSID8023185"	"Kanamycin B"	"EPA_DSSTox"	"NCC1OC(OC2C(O)C(OC3OC(CO)C(O)C(N)C3O)C(N)CC2N)C(N)C(O)C1O"	"?"	"InChI=1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2"	"SKKLOUVUUNMCJE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"4697-14-7"	"DTXSID8045561"	"Ticarcillin disodium"	"EPA_DSSTox"	"CC1(C)SC2C(NC(=O)C(C3=CSC=C3)C(O)=O)C(=O)N2C1C(O)=O"	"[Na+].[Na+]"	"InChI=1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)"	"OHKOGUYZJXTSFX-UHFFFAOYSA-N"	FALSE	TRUE	16000	4	5
"4698-11-7"	"DTXSID20196999"	"10-Methoxyiminostilbene"	"EPA_DSSTox"	"COC1=CC2C=CC=CC=2NC2C=CC=CC=21"	"?"	"InChI=1S/C15H13NO/c1-17-15-10-11-6-2-4-8-13(11)16-14-9-5-3-7-12(14)15/h2-10,16H,1H3"	"ZKHZWXLOSIGIGZ-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"470-67-7"	"DTXSID3047396"	"1,4-Cineole"	"EPA_DSSTox"	"CC12CCC(CC1)(O2)C(C)C"	"?"	"InChI=1S/C10H18O/c1-8(2)10-6-4-9(3,11-10)5-7-10/h8H,4-7H2,1-3H3"	"RFFOTVCVTJUTAD-UHFFFAOYSA-N"	FALSE	TRUE	3100	3	5
"47000-92-0"	"DTXSID5041980"	"Fluoridamid"	"EPA_DSSTox"	"CC(=O)NC1C=C(NS(=O)(=O)C(F)(F)F)C(C)=CC=1"	"?"	"InChI=1S/C10H11F3N2O3S/c1-6-3-4-8(14-7(2)16)5-9(6)15-19(17,18)10(11,12)13/h3-5,15H,1-2H3,(H,14,16)"	"CUYDUAXYJJPSRK-UHFFFAOYSA-N"	FALSE	TRUE	2580	3	5
"47073-92-7"	NA	NA	"Public_CrossChecked"	"CC(C1C=CC(=CC=1)OC#N)C1C=CC(=CC=1)OC#N"	"?"	"InChI=1S/C16H12N2O2/c1-12(13-2-6-15(7-3-13)19-10-17)14-4-8-16(9-5-14)20-11-18/h2-9,12H,1H3"	"SIZDMAYTWUINIG-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"471-01-2"	"DTXSID90197034"	"beta-Isophorone"	"EPA_DSSTox"	"CC1CC(=O)CC(C)(C)C=1"	"?"	"InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h5H,4,6H2,1-3H3"	"LKOKKQDYMZUSCG-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"471-25-0"	"DTXSID6060050"	"2-Propynoic acid"	"EPA_DSSTox"	"C#CC(O)=O"	"?"	"InChI=1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5)"	"UORVCLMRJXCDCP-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"471-34-1"	"DTXSID3036238"	"Carbonic acid calcium salt (1:1)"	"EPA_DSSTox"	"OC(O)=O"	"[Ca+2]"	"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)"	"BVKZGUZCCUSVTD-UHFFFAOYSA-N"	FALSE	TRUE	6450	4	5
"4719-04-4"	"DTXSID7025394"	"1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol"	"EPA_DSSTox"	"OCCN1CN(CN(C1)CCO)CCO"	"?"	"InChI=1S/C9H21N3O3/c13-4-1-10-7-11(2-5-14)9-12(8-10)3-6-15/h13-15H,1-9H2"	"HUHGPYXAVBJSJV-UHFFFAOYSA-N"	FALSE	FALSE	763	3	4
"4724-48-5"	"DTXSID3044679"	"Octylphosphonic acid"	"EPA_DSSTox"	"CCCCCCCCP(O)(O)=O"	"?"	"InChI=1S/C8H19O3P/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3,(H2,9,10,11)"	"NJGCRMAPOWGWMW-UHFFFAOYSA-N"	FALSE	FALSE	1890	3	4
"4726-93-6"	"DTXSID70197077"	"Adipimide"	"EPA_DSSTox"	"O=C1CCCCC(=O)N1"	"?"	"InChI=1S/C6H9NO2/c8-5-3-1-2-4-6(9)7-5/h1-4H2,(H,7,8,9)"	"OSNDUYDDOHEKEE-UHFFFAOYSA-N"	FALSE	TRUE	22600	4	5
"4727-29-1"	"DTXSID00197080"	"Lemax"	"EPA_DSSTox"	"OC(=O)C1C=CC=CC=1C(=O)NC1C=CC=CC=1"	"?"	"InChI=1S/C14H11NO3/c16-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(17)18/h1-9H,(H,15,16)(H,17,18)"	"DSUPUOGOCIFZBG-UHFFFAOYSA-N"	FALSE	TRUE	8837	4	5
"4728-82-9"	"DTXSID9063580"	"Cyclohexaneacetic acid, 2-propenyl ester"	"EPA_DSSTox"	"C=CCOC(=O)CC1CCCCC1"	"?"	"InChI=1S/C11H18O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2,10H,1,3-9H2"	"UECFOOSFSUDPOR-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"473-49-4"	"DTXSID70197092"	"Methanesulfonamide, N,N-bis(2-iodoethyl)-"	"EPA_DSSTox"	"CS(=O)(=O)N(CCI)CCI"	"?"	"InChI=1S/C5H11I2NO2S/c1-11(9,10)8(4-2-6)5-3-7/h2-5H2,1H3"	"FPKLDZIWQICHSX-UHFFFAOYSA-N"	FALSE	TRUE	2700	3	5
"473-51-8"	"DTXSID30197093"	"Methanesulfonamide, N,N-bis(2-(methylsulfonyloxy)ethyl)-"	"EPA_DSSTox"	"CS(=O)(=O)N(CCOS(C)(=O)=O)CCOS(C)(=O)=O"	"?"	"InChI=1S/C7H17NO8S3/c1-17(9,10)8(4-6-15-18(2,11)12)5-7-16-19(3,13)14/h4-7H2,1-3H3"	"NHJZTRHHRQMLDA-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"4736-60-1"	"DTXSID1052117"	"Ethyltriphenylphosphonium iodide"	"EPA_DSSTox"	"CC[P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1"	"[I-]"	"InChI=1S/C20H20P/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3/q+1"	"GELSOTNVVKOYAW-UHFFFAOYSA-N"	FALSE	FALSE	79	2	3
"474-25-9"	"DTXSID2020260"	"Chenodeoxycholic acid"	"EPA_DSSTox"	"CC(CCC(O)=O)C1CCC2C3C(CCC21C)C1(C)CCC(O)CC1CC3O"	"?"	"InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)"	"RUDATBOHQWOJDD-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"4740-11-8"	"DTXSID00197126"	"Carbamodithioic acid, diethyl-, ethyl ester"	"EPA_DSSTox"	"CCSC(=S)N(CC)CC"	"?"	"InChI=1S/C7H15NS2/c1-4-8(5-2)7(9)10-6-3/h4-6H2,1-3H3"	"RKDROQWWHWDICV-UHFFFAOYSA-N"	FALSE	FALSE	712	3	4
"474510-57-1"	"DTXSID40621591"	"1,1'-[Methylenedi(4,1-phenylene)]bis(2-hydroxy-2-methylpropan-1-one)"	"EPA_DSSTox"	"CC(C)(O)C(=O)C1C=CC(CC2C=CC(=CC=2)C(=O)C(C)(C)O)=CC=1"	"?"	"InChI=1S/C21H24O4/c1-20(2,24)18(22)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(23)21(3,4)25/h5-12,24-25H,13H2,1-4H3"	"PCKZAVNWRLEHIP-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"47465-97-4"	"DTXSID1052119"	"Isatin bis-cresol"	"EPA_DSSTox"	"CC1C=C(C=CC=1O)C1(C(=O)NC2=CC=CC=C12)C1C=C(C)C(O)=CC=1"	"?"	"InChI=1S/C22H19NO3/c1-13-11-15(7-9-19(13)24)22(16-8-10-20(25)14(2)12-16)17-5-3-4-6-18(17)23-21(22)26/h3-12,24-25H,1-2H3,(H,23,26)"	"ZEKCYPANSOJWDH-UHFFFAOYSA-N"	FALSE	FALSE	520	3	4
"475-20-7"	"DTXSID9047045"	"Longifolene"	"EPA_DSSTox"	"CC1(C)CCCC2(C)C3CCC(C13)C2=C"	"?"	"InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3"	"PDSNLYSELAIEBU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"475-81-0"	"DTXSID8031100"	"D-Glaucine"	"EPA_DSSTox"	"COC1C2=C3C(CC4C=C(OC)C(=CC=42)OC)N(C)CCC3=CC=1OC"	"?"	"InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3"	"RUZIUYOSRDWYQF-UHFFFAOYSA-N"	FALSE	FALSE	545	3	4
"4752-35-6"	"DTXSID20197183"	"Phosphorodithioic acid, O,O-dimethyl S-2-(methylthio)ethyl ester"	"EPA_DSSTox"	"CSCCSP(=S)(OC)OC"	"?"	"InChI=1S/C5H13O2PS3/c1-6-8(9,7-2)11-5-4-10-3/h4-5H2,1-3H3"	"ABKKUIZOZFQVAA-UHFFFAOYSA-N"	FALSE	FALSE	75	2	3
"4755-59-3"	"DTXSID30197194"	"Clodazon"	"EPA_DSSTox"	"CN(C)CCCN1C(=O)N(C2C=C(Cl)C=CC1=2)C1C=CC=CC=1"	"?"	"InChI=1S/C18H20ClN3O/c1-20(2)11-6-12-21-16-10-9-14(19)13-17(16)22(18(21)23)15-7-4-3-5-8-15/h3-5,7-10,13H,6,11-12H2,1-2H3"	"VWXGRWMELBPMCU-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"4757-55-5"	"DTXSID4022941"	"Dimetacrine"	"EPA_DSSTox"	"CN(C)CCCN1C2=CC=CC=C2C(C)(C)C2C=CC=CC1=2"	"?"	"InChI=1S/C20H26N2/c1-20(2)16-10-5-7-12-18(16)22(15-9-14-21(3)4)19-13-8-6-11-17(19)20/h5-8,10-13H,9,14-15H2,1-4H3"	"RYQOGSFEJBUZBX-UHFFFAOYSA-N"	FALSE	FALSE	1850	3	4
"4759-48-2"	"DTXSID4023177"	"13-cis Retinoic acid"	"EPA_DSSTox"	"CC1CCCC(C)(C)C=1C=CC(C)=CC=CC(C)=CC(O)=O"	"?"	"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)"	"SHGAZHPCJJPHSC-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"4767-03-7"	"DTXSID4027577"	"3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid"	"EPA_DSSTox"	"CC(CO)(CO)C(O)=O"	"?"	"InChI=1S/C5H10O4/c1-5(2-6,3-7)4(8)9/h6-7H,2-3H2,1H3,(H,8,9)"	"PTBDIHRZYDMNKB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"477-32-7"	NA	NA	"Public_CrossChecked"	"CC(=O)OC1C(OC(=O)C(C)CC)C(C)(C)Oc2ccc3ccc(=O)oc3c21"	"?"	"InChI=1S/C21H24O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h7-11,18-19H,6H2,1-5H3"	"GVBNSPFBYXGREE-UHFFFAOYSA-N"	FALSE	FALSE	1213	3	4
"477-33-8"	NA	NA	"Public_CrossChecked"	"CC(C)=CC(=O)OC1C(OC(C)=O)c2c3oc(=O)ccc3ccc2OC1(C)C"	"?"	"InChI=1S/C21H22O7/c1-11(2)10-16(24)27-20-19(25-12(3)22)17-14(28-21(20,4)5)8-6-13-7-9-15(23)26-18(13)17/h6-10,19-20H,1-5H3"	"FNVCLGWRMXTDSM-UHFFFAOYSA-N"	FALSE	FALSE	832	3	4
"4771-80-6"	"DTXSID40871099"	"3-Cyclohexene-1-carboxylic acid"	"EPA_DSSTox"	"OC(=O)C1CC=CCC1"	"?"	"InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)"	"VUSWCWPCANWBFG-UHFFFAOYSA-N"	FALSE	TRUE	4260	3	5
"4779-94-6"	"DTXSID1046710"	"Norfenefrine hydrochloride"	"EPA_DSSTox"	"NCC(O)C1C=C(O)C=CC=1"	"Cl"	"InChI=1S/C8H11NO2/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4,8,10-11H,5,9H2"	"LRCXRAABFLIVAI-UHFFFAOYSA-N"	FALSE	FALSE	390	2	4
"4781-76-4"	NA	NA	"Public_CrossChecked"	"NCC1CCC=CO1"	"?"	"InChI=1S/C6H11NO/c7-5-6-3-1-2-4-8-6/h2,4,6H,1,3,5,7H2"	"VNMHHVDXXHZGDU-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"4785-72-2"	"DTXSID20197305"	"7-Benzofuranol, 2,3-dihydro-2,2,4-trimethyl-, methylcarbamate (9CI)"	"EPA_DSSTox"	"CC1=CC=C(OC(=O)NC)C2OC(C)(C)CC1=2"	"?"	"InChI=1S/C13H17NO3/c1-8-5-6-10(16-12(15)14-4)11-9(8)7-13(2,3)17-11/h5-6H,7H2,1-4H3,(H,14,15)"	"FMGLKNCPXAFVRR-UHFFFAOYSA-N"	TRUE	FALSE	12	1	2
"4786-19-0"	"DTXSID80197306"	"Methallyl cyanide"	"EPA_DSSTox"	"CC(=C)CC#N"	"?"	"InChI=1S/C5H7N/c1-5(2)3-4-6/h1,3H2,2H3"	"OIQDAVBXDLGCID-UHFFFAOYSA-N"	FALSE	FALSE	540	3	4
"4786-20-3"	"DTXSID0063604"	"2-Butenenitrile"	"EPA_DSSTox"	"CC=CC#N"	"?"	"InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3"	"NKKMVIVFRUYPLQ-UHFFFAOYSA-N"	FALSE	FALSE	501	3	4
"4790-92-5"	"DTXSID10197334"	"7-Benzofuranol, 4-chloro-2,3-dihydro-2,2-dimethyl-, methylcarbamate (9CI)"	"EPA_DSSTox"	"CC1(C)CC2=C(Cl)C=CC(OC(=O)NC)=C2O1"	"?"	"InChI=1S/C12H14ClNO3/c1-12(2)6-7-8(13)4-5-9(10(7)17-12)16-11(15)14-3/h4-5H,6H2,1-3H3,(H,14,15)"	"ZUIXATGNVPEOAZ-UHFFFAOYSA-N"	FALSE	FALSE	248	2	3
"480-22-8"	"DTXSID7026231"	"1,8,9-Trihydroxyanthracene"	"EPA_DSSTox"	"OC1=CC=CC2C=C3C=CC=C(O)C3=C(O)C1=2"	"?"	"InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-7,15-17H"	"YUTJCNNFTOIOGT-UHFFFAOYSA-N"	FALSE	TRUE	3216	3	5
"480-54-6"	"DTXSID6021242"	"Retrorsine"	"EPA_DSSTox"	"CC1CC(=CC)C(=O)OC2CCN3CC=C(COC(=O)C1(O)CO)C32"	"?"	"InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3"	"BCJMNZRQJAVDLD-UHFFFAOYSA-N"	TRUE	FALSE	34	1	2
"480-81-9"	"DTXSID8026016"	"Seneciphylline"	"EPA_DSSTox"	"CC=C1CC(=C)C(C)(O)C(=O)OCC2=CCN3CCC(OC1=O)C32"	"?"	"InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3"	"FCEVNJIUIMLVML-UHFFFAOYSA-N"	FALSE	FALSE	77	2	3
"4800-94-6"	"DTXSID6045820"	"Carbenicillin disodium"	"EPA_DSSTox"	"CC1(C)SC2C(NC(=O)C(C3C=CC=CC=3)C(O)=O)C(=O)N2C1C(O)=O"	"[Na+].[Na+]"	"InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)"	"FPPNZSSZRUTDAP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"481-39-0"	"DTXSID0031504"	"Juglone"	"EPA_DSSTox"	"OC1C=CC=C2C=1C(=O)C=CC2=O"	"?"	"InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H"	"KQPYUDDGWXQXHS-UHFFFAOYSA-N"	FALSE	FALSE	112	2	3
"481-42-5"	"DTXSID8075413"	"1,4-Naphthalenedione, 5-hydroxy-2-methyl-"	"EPA_DSSTox"	"CC1=CC(=O)C2C(O)=CC=CC=2C1=O"	"?"	"InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3"	"VCMMXZQDRFWYSE-UHFFFAOYSA-N"	FALSE	FALSE	65	2	3
"481-49-2"	"DTXSID6045957"	"Cepharanthine"	"EPA_DSSTox"	"CN1CCC2=CC(OC)=C3C=C2C1CC1C=C(OC2C=CC(CC4C5=C(O3)C3OCOC=3C=C5CCN4C)=CC=2)C(=CC=1)OC"	"?"	"InChI=1S/C37H38N2O6/c1-38-13-11-24-18-31(41-4)33-20-27(24)28(38)16-23-7-10-30(40-3)32(17-23)44-26-8-5-22(6-9-26)15-29-35-25(12-14-39(29)2)19-34-36(37(35)45-33)43-21-42-34/h5-10,17-20,28-29H,11-16,21H2,1-4H3"	"YVPXVXANRNDGTA-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"482-89-3"	"DTXSID3026279"	"Indigo"	"EPA_DSSTox"	"O=C1C(NC2C=CC=CC1=2)=C1NC2C=CC=CC=2C1=O"	"?"	"InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H"	"COHYTHOBJLSHDF-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"4824-78-6"	"DTXSID6041684"	"Bromophos-ethyl"	"EPA_DSSTox"	"CCOP(=S)(OC1=CC(Cl)=C(Br)C=C1Cl)OCC"	"?"	"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"	FALSE	FALSE	52	2	3
"484-12-8"	"DTXSID20197507"	"Osthole"	"EPA_DSSTox"	"CC(C)=CCC1C2OC(=O)C=CC=2C=CC=1OC"	"?"	"InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3"	"MBRLOUHOWLUMFF-UHFFFAOYSA-N"	FALSE	TRUE	2905	3	5
"484-20-8"	"DTXSID1025560"	"5-Methoxypsoralen"	"EPA_DSSTox"	"COC1=C2C=COC2=CC2OC(=O)C=CC=21"	"?"	"InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3"	"BGEBZHIAGXMEMV-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"4849-32-5"	"DTXSID0042084"	"Karbutilate"	"EPA_DSSTox"	"CN(C)C(=O)NC1C=C(C=CC=1)OC(=O)NC(C)(C)C"	"?"	"InChI=1S/C14H21N3O3/c1-14(2,3)16-13(19)20-11-8-6-7-10(9-11)15-12(18)17(4)5/h6-9H,1-5H3,(H,15,18)(H,16,19)"	"OWNAXTAAAQTBSP-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"4856-87-5"	"DTXSID3073343"	"1H-Pyrrole-2,5-dione, 1,1'-(1,6-hexanediyl)bis-"	"EPA_DSSTox"	"O=C1C=CC(=O)N1CCCCCCN1C(=O)C=CC1=O"	"?"	"InChI=1S/C14H16N2O4/c17-11-5-6-12(18)15(11)9-3-1-2-4-10-16-13(19)7-8-14(16)20/h5-8H,1-4,9-10H2"	"PYVHLZLQVWXBDZ-UHFFFAOYSA-N"	FALSE	FALSE	550	3	4
"486-17-9"	NA	NA	"Public_CrossChecked"	"CCCCSC1C=CC(=CC=1)C(SCCN(C)C)C1C=CC=CC=1"	"?"	"InChI=1S/C21H29NS2/c1-4-5-16-23-20-13-11-19(12-14-20)21(24-17-15-22(2)3)18-9-7-6-8-10-18/h6-14,21H,4-5,15-17H2,1-3H3"	"IZLPZXSZLLELBJ-UHFFFAOYSA-N"	FALSE	TRUE	3800	3	5
"486455-65-6"	"DTXSID10197571"	"Dibutyl ethylhexanoyl glutamide"	"EPA_DSSTox"	"CCC(CCCC)C(=O)NC(CCC(=O)NCCCC)C(=O)NCCCC"	"?"	"InChI=1S/C21H41N3O3/c1-5-9-12-17(8-4)20(26)24-18(21(27)23-16-11-7-3)13-14-19(25)22-15-10-6-2/h17-18H,5-16H2,1-4H3,(H,22,25)(H,23,27)(H,24,26)"	"OVUBDKNXJHOLMI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"486460-32-6"	"DTXSID70197572"	"Sitagliptin"	"EPA_DSSTox"	"NC(CC(=O)N1CC2=NN=C(N2CC1)C(F)(F)F)CC1C=C(F)C(F)=CC=1F"	"?"	"InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2"	"MFFMDFFZMYYVKS-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"487-68-3"	"DTXSID5052125"	"2,4,6-Trimethylbenzaldehyde"	"EPA_DSSTox"	"CC1C=C(C)C=C(C)C=1C=O"	"?"	"InChI=1S/C10H12O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-6H,1-3H3"	"HIKRJHFHGKZKRI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"4871-71-0"	"DTXSID30197598"	"Pyrimidine, 2-((3,4,4-trifluoro-3-butenyl)thio)-"	"EPA_DSSTox"	"FC(F)=C(F)CCSC1N=CC=CN=1"	"?"	"InChI=1S/C8H7F3N2S/c9-6(7(10)11)2-5-14-8-12-3-1-4-13-8/h1,3-4H,2,5H2"	"PLLUJQVWXXGSGA-UHFFFAOYSA-N"	FALSE	FALSE	765	3	4
"488-10-8"	"DTXSID4047092"	"Jasmone"	"EPA_DSSTox"	"CC1CCC(=O)C=1CC=CCC"	"?"	"InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3"	"XMLSXPIVAXONDL-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"488-41-5"	"DTXSID7022918"	"Dibromomannitol"	"EPA_DSSTox"	"OC(CBr)C(O)C(O)C(O)CBr"	"?"	"InChI=1S/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2"	"VFKZTMPDYBFSTM-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"4880-82-4"	NA	NA	"Public_CrossChecked"	"COC1C=CC2CC3C4C=C(OC)C(=CC=4CCN3CC=2C=1OC)OC"	"[Cl-]"	"InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3"	"AEQDJSLRWYMAQI-UHFFFAOYSA-N"	FALSE	FALSE	580	3	4
"489-84-9"	"DTXSID7045996"	"Guaiazulene"	"EPA_DSSTox"	"CC1=CC=C2C1=CC(=CC=C2C)C(C)C"	"?"	"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3"	"FWKQNCXZGNBPFD-UHFFFAOYSA-N"	FALSE	FALSE	1550	3	4
"4891-54-7"	"DTXSID70197638"	"Demeton-o sulfone"	"EPA_DSSTox"	"CCS(=O)(=O)CCOP(=S)(OCC)OCC"	"?"	"InChI=1S/C8H19O5PS2/c1-4-11-14(15,12-5-2)13-7-8-16(9,10)6-3/h4-8H2,1-3H3"	"GZJFADYLHPWSII-UHFFFAOYSA-N"	FALSE	FALSE	90	2	3
"4901-51-3"	"DTXSID0022220"	"2,3,4,5-Tetrachlorophenol"	"EPA_DSSTox"	"OC1C=C(Cl)C(Cl)=C(Cl)C=1Cl"	"?"	"InChI=1S/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H"	"RULKYXXCCZZKDZ-UHFFFAOYSA-N"	FALSE	FALSE	140	2	3
"4904-61-4"	"DTXSID8027581"	"1,5,9-Cyclododecatriene"	"EPA_DSSTox"	"C1CC=CCCC=CCCC=C1 |c:2,6,10|"	"?"	"InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1-,9-7-,10-8-"	"ZOLLIQAKMYWTBR-MOLCZBCNSA-N"	FALSE	FALSE	1780	3	4
"4920-79-0"	"DTXSID50197717"	"2-Chloro-4-nitroanisole"	"EPA_DSSTox"	"COC1C=CC(=CC=1Cl)[N+]([O-])=O"	"?"	"InChI=1S/C7H6ClNO3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,1H3"	"DLJPNXLHWMRQIQ-UHFFFAOYSA-N"	FALSE	FALSE	1180	3	4
"4934-55-8"	"DTXSID10197773"	"Benzophenone, 4-amino-3-methyl-"	"EPA_DSSTox"	"CC1C=C(C=CC=1N)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C14H13NO/c1-10-9-12(7-8-13(10)15)14(16)11-5-3-2-4-6-11/h2-9H,15H2,1H3"	"ZCVUMNJAVAXADT-UHFFFAOYSA-N"	FALSE	FALSE	700	3	4
"4935-28-8"	NA	NA	"Public_CrossChecked"	"CCOP(=S)(Oc1cc2ccccc2oc1=O)OCC"	"?"	"InChI=1S/C13H15O5PS/c1-3-15-19(20,16-4-2)18-12-9-10-7-5-6-8-11(10)17-13(12)14/h5-9H,3-4H2,1-2H3"	"LWRAXFXWIOKUAY-UHFFFAOYSA-N"	TRUE	FALSE	13	1	2
"494-19-9"	"DTXSID8049414"	"10,11-Dihydro-5H-dibenz[b,f]azepine"	"EPA_DSSTox"	"C1CC2=CC=CC=C2NC2=CC=CC=C21"	"?"	"InChI=1S/C14H13N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-8,15H,9-10H2"	"ZSMRRZONCYIFNB-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"4940-11-8"	"DTXSID5041516"	"2-Ethyl-3-hydroxy-4H-pyran-4-one"	"EPA_DSSTox"	"CCC1OC=CC(=O)C=1O"	"?"	"InChI=1S/C7H8O3/c1-2-6-7(9)5(8)3-4-10-6/h3-4,9H,2H2,1H3"	"YIKYNHJUKRTCJL-UHFFFAOYSA-N"	FALSE	FALSE	1150	3	4
"4947-89-1"	"DTXSID10197798"	"Thiourea, (3-chlorophenyl)- (9CI)"	"EPA_DSSTox"	"NC(=S)NC1C=C(Cl)C=CC=1"	"?"	"InChI=1S/C7H7ClN2S/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11)"	"LSYZRUOXXOTVAV-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"494799-38-1"	NA	NA	"Public_CrossChecked"	"COC(=O)C1C=C2C(=CC=1)C(=CN2C)C1CCCC1"	"?"	"InChI=1S/C16H19NO2/c1-17-10-14(11-5-3-4-6-11)13-8-7-12(9-15(13)17)16(18)19-2/h7-11H,3-6H2,1-2H3"	"VGKAMBRJOFZVFY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"4948-15-6"	"DTXSID4052130"	"C.I. Pigment Red 149"	"EPA_DSSTox"	"CC1=CC(=CC(C)=C1)N1C(=O)C2=CC=C3C4C2=C(C=CC=4C2=CC=C4C5=C2C3=CC=C5C(=O)N(C2C=C(C)C=C(C)C=2)C4=O)C1=O"	"?"	"InChI=1S/C40H26N2O4/c1-19-13-20(2)16-23(15-19)41-37(43)29-9-5-25-27-7-11-31-36-32(40(46)42(39(31)45)24-17-21(3)14-22(4)18-24)12-8-28(34(27)36)26-6-10-30(38(41)44)35(29)33(25)26/h5-18H,1-4H3"	"FDXVHZCFTCIKDD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"495-48-7"	"DTXSID0024555"	"Azoxybenzene"	"EPA_DSSTox"	"[O-][N+](=NC1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C12H10N2O/c15-14(12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10H"	"GAUZCKBSTZFWCT-UHFFFAOYSA-N"	FALSE	FALSE	620	3	4
"495-62-5"	"DTXSID9052131"	"2-Methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-ene"	"EPA_DSSTox"	"CC(C)=CCCC(C)=C1CC=C(C)CC1"	"?"	"InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8H,5,7,9-11H2,1-4H3"	"XBGUIVFBMBVUEG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"495-73-8"	"DTXSID2041624"	"Benquinox"	"EPA_DSSTox"	"O=C(NN=C1C=CC(C=C1)N=O)C1C=CC=CC=1"	"?"	"InChI=1S/C13H11N3O2/c17-13(10-4-2-1-3-5-10)15-14-11-6-8-12(16-18)9-7-11/h1-9,12H,(H,15,17)"	"OOYBDTANHVVVCY-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"49561-54-8"	NA	NA	"Public_CrossChecked"	"CC(CC1C=CC=CC=1)NCCN1CON=C1C1C=CC=CC=1"	"[Cl-]"	"InChI=1S/C19H23N3O/c1-16(14-17-8-4-2-5-9-17)20-12-13-22-15-23-21-19(22)18-10-6-3-7-11-18/h2-11,16,20H,12-15H2,1H3"	"IOEHAXLKKSRCBU-UHFFFAOYSA-N"	FALSE	FALSE	649	3	4
"49562-28-9"	"DTXSID2029874"	"Fenofibrate"	"EPA_DSSTox"	"CC(C)OC(=O)C(C)(C)OC1C=CC(=CC=1)C(=O)C1C=CC(Cl)=CC=1"	"?"	"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"	FALSE	TRUE	NA	3	5
"49564-57-0"	"DTXSID0068496"	"Benzenesulfonamide, 4-amino-5-methoxy-N,2-dimethyl-"	"EPA_DSSTox"	"CC1C=C(N)C(=CC=1S(=O)(=O)NC)OC"	"?"	"InChI=1S/C9H14N2O3S/c1-6-4-7(10)8(14-3)5-9(6)15(12,13)11-2/h4-5,11H,10H2,1-3H3"	"GWSQAGVGSHXRJK-UHFFFAOYSA-N"	FALSE	FALSE	91.5	2	3
"4957-14-6"	"DTXSID90197852"	"Methane, di-p-tolyl-"	"EPA_DSSTox"	"CC1C=CC(CC2C=CC(C)=CC=2)=CC=1"	"?"	"InChI=1S/C15H16/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3"	"HZAWPPRBCALFRN-UHFFFAOYSA-N"	FALSE	FALSE	1700	3	4
"4957-16-8"	"DTXSID50197853"	"Benzene, 1,1'-methylenebis(2,4,5-trimethyl- (9CI)"	"EPA_DSSTox"	"CC1C=C(C)C(C)=CC=1CC1C=C(C)C(C)=CC=1C"	"?"	"InChI=1S/C19H24/c1-12-7-16(5)18(9-14(12)3)11-19-10-15(4)13(2)8-17(19)6/h7-10H,11H2,1-6H3"	"RYRHSRXGIHUJNJ-UHFFFAOYSA-N"	FALSE	TRUE	4500	3	5
"49575-13-5"	NA	NA	"Public_CrossChecked"	"CC1=NC(N)=C(CN(C=O)C(C)=C(CCS(C)=O)SSC(CCS(C)=O)=C(C)N(CC2=CN=C(C)N=C2N)C=O)C=N1"	"?"	"InChI=1S/C26H38N8O4S4/c1-17(33(15-35)13-21-11-29-19(3)31-25(21)27)23(7-9-41(5)37)39-40-24(8-10-42(6)38)18(2)34(16-36)14-22-12-30-20(4)32-26(22)28/h11-12,15-16H,7-10,13-14H2,1-6H3,(H2,27,29,31)(H2,28,30,32)"	"JKHIQYSPUGLNPH-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"496-67-3"	"DTXSID2040656"	"Bromisovalum"	"EPA_DSSTox"	"CC(C)C(Br)C(=O)NC(N)=O"	"?"	"InChI=1S/C6H11BrN2O2/c1-3(2)4(7)5(10)9-6(8)11/h3-4H,1-2H3,(H3,8,9,10,11)"	"CMCCHHWTTBEZNM-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"4960-47-8"	"DTXSID80197927"	"Sulfamide, N-(2,4-dichlorobenzyl)-N-methyl-"	"EPA_DSSTox"	"CN(CC1C=CC(Cl)=CC=1Cl)S(N)(=O)=O"	"?"	"InChI=1S/C8H10Cl2N2O2S/c1-12(15(11,13)14)5-6-2-3-7(9)4-8(6)10/h2-4H,5H2,1H3,(H2,11,13,14)"	"ZGLVYSGVOOIUBG-UHFFFAOYSA-N"	FALSE	TRUE	2350	3	5
"4961-40-4"	"DTXSID5063657"	"1,2-Ethanediamine, N,N'-bis(2-aminoethyl)-, tetrahydrochloride"	"EPA_DSSTox"	"NCCNCCNCCN"	"Cl.Cl.Cl.Cl"	"InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2"	"VILCJCGEZXAXTO-UHFFFAOYSA-N"	FALSE	TRUE	2285	3	5
"49665-58-9"	"DTXSID90197958"	"Urea, N-cyclohexyl-N'-2-pyridinyl-"	"EPA_DSSTox"	"O=C(NC1C=CC=CN=1)NC1CCCCC1"	"?"	"InChI=1S/C12H17N3O/c16-12(14-10-6-2-1-3-7-10)15-11-8-4-5-9-13-11/h4-5,8-10H,1-3,6-7H2,(H2,13,14,15,16)"	"OXPBPFDDWFFDNE-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"497-19-8"	"DTXSID1029621"	"Sodium carbonate"	"EPA_DSSTox"	"OC(O)=O"	"[Na+].[Na+]"	"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)"	"BVKZGUZCCUSVTD-UHFFFAOYSA-N"	FALSE	TRUE	2800	3	5
"497-26-7"	"DTXSID7060095"	"2-Methyl-1,3-dioxolane"	"EPA_DSSTox"	"CC1OCCO1"	"?"	"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3"	"HTWIZMNMTWYQRN-UHFFFAOYSA-N"	FALSE	TRUE	2900	3	5
"497-56-3"	"DTXSID2075423"	"Phenol, 2-methyl-3,5-dinitro-"	"EPA_DSSTox"	"CC1=C(O)C=C(C=C1[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C7H6N2O5/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10/h2-3,10H,1H3"	"KSHJAFFDLKPUMT-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"49701-24-8"	"DTXSID2068507"	"Benzenesulfonamide, 4-amino-2,5-dimethoxy-N-methyl-"	"EPA_DSSTox"	"CNS(=O)(=O)C1C=C(OC)C(N)=CC=1OC"	"?"	"InChI=1S/C9H14N2O4S/c1-11-16(12,13)9-5-7(14-2)6(10)4-8(9)15-3/h4-5,11H,10H2,1-3H3"	"CISVVDNATRQDNU-UHFFFAOYSA-N"	FALSE	FALSE	815	3	4
"49707-23-5"	NA	NA	"Public_CrossChecked"	"COC(CNC(=O)C=C)OC"	"?"	"InChI=1S/C7H13NO3/c1-4-6(9)8-5-7(10-2)11-3/h4,7H,1,5H2,2-3H3,(H,8,9)"	"CMMYGCUEJWTBCG-UHFFFAOYSA-N"	FALSE	FALSE	1199	3	4
"49723-69-5"	"DTXSID6068511"	"Iodonium, diphenyl-, sulfate (1:1)"	"EPA_DSSTox"	"C1=CC=CC=C1[I+]C1C=CC=CC=1"	"OS(=O)(=O)[O-]"	"InChI=1S/C12H10I/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H/q+1"	"OZLBDYMWFAHSOQ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"49748-76-7"	NA	NA	"Public_CrossChecked"	"OC1C2C3OC3C1C1C2C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl"	"?"	"InChI=1S/C12H8Cl6O2/c13-8-9(14)11(16)4-2-5(19)1(6-7(2)20-6)3(4)10(8,15)12(11,17)18/h1-7,19H"	"VRHKKHANKOOSAH-UHFFFAOYSA-N"	TRUE	FALSE	2.4	1	1
"49763-96-4"	"DTXSID6049068"	"Stiripentol"	"EPA_DSSTox"	"CC(C)(C)C(O)C=CC1=CC2OCOC=2C=C1"	"?"	"InChI=1S/C14H18O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8,13,15H,9H2,1-3H3"	"IBLNKMRFIPWSOY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"4979-32-2"	"DTXSID3027584"	"N,N-Dicyclohexyl-2-benzothiazolesulfenamide"	"EPA_DSSTox"	"C1CCCCC1N(SC1=NC2C=CC=CC=2S1)C1CCCCC1"	"?"	"InChI=1S/C19H26N2S2/c1-3-9-15(10-4-1)21(16-11-5-2-6-12-16)23-19-20-17-13-7-8-14-18(17)22-19/h7-8,13-16H,1-6,9-12H2"	"CMAUJSNXENPPOF-UHFFFAOYSA-N"	FALSE	TRUE	6420	4	5
"498-81-7"	"DTXSID4041812"	"Dihydro-alpha-terpineol"	"EPA_DSSTox"	"CC1CCC(CC1)C(C)(C)O"	"?"	"InChI=1S/C10H20O/c1-8-4-6-9(7-5-8)10(2,3)11/h8-9,11H,4-7H2,1-3H3"	"UODXCYZDMHPIJE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"49828-25-3"	"DTXSID20198099"	"Kayahope"	"EPA_DSSTox"	"CCCSC1C=C(C=CC=1Cl)OC1C=CC(=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C15H14ClNO3S/c1-2-9-21-15-10-13(7-8-14(15)16)20-12-5-3-11(4-6-12)17(18)19/h3-8,10H,2,9H2,1H3"	"SPJLQKZVWZEOOR-UHFFFAOYSA-N"	FALSE	FALSE	1130	3	4
"49830-98-0"	NA	NA	"Public_CrossChecked"	"O=C(CN1CCCCC1)N1CCOC2C=CC=CC1=2"	"[Cl-]"	"InChI=1S/C15H20N2O2/c18-15(12-16-8-4-1-5-9-16)17-10-11-19-14-7-3-2-6-13(14)17/h2-3,6-7H,1,4-5,8-12H2"	"OEFADKPKXPNUFW-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"4985-85-7"	"DTXSID2044680"	"2,2'-[(3-Aminopropyl)imino]diethanol"	"EPA_DSSTox"	"NCCCN(CCO)CCO"	"?"	"InChI=1S/C7H18N2O2/c8-2-1-3-9(4-6-10)5-7-11/h10-11H,1-8H2"	"FKJVYOFPTRGCSP-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"49860-08-4"	"DTXSID50198128"	"Benzoic acid, 5-amino-2-(sulfooxy)-, disodium salt"	"EPA_DSSTox"	"NC1C=CC(OS(O)(=O)=O)=C(C=1)C(O)=O"	"[Na+].[Na+]"	"InChI=1S/C7H7NO6S/c8-4-1-2-6(14-15(11,12)13)5(3-4)7(9)10/h1-3H,8H2,(H,9,10)(H,11,12,13)"	"PXGWDTRSOBLZEH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"4988-64-1"	NA	NA	"Public_CrossChecked"	"OCC1OC(C(O)C1O)N1C=NC2C(S)=NC=NC1=2"	"?"	"InChI=1S/C10H12N4O4S/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)"	"NKGPJODWTZCHGF-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"499-75-2"	"DTXSID6042074"	"Isopropyl-o-cresol"	"EPA_DSSTox"	"CC1=CC=C(C=C1O)C(C)C"	"?"	"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3"	"RECUKUPTGUEGMW-UHFFFAOYSA-N"	FALSE	FALSE	810	3	4
"4991-65-5"	"DTXSID5045885"	"Thioxolone"	"EPA_DSSTox"	"OC1=CC2OC(=O)SC=2C=C1"	"?"	"InChI=1S/C7H4O3S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3,8H"	"SLYPOVJCSQHITR-UHFFFAOYSA-N"	FALSE	FALSE	633	3	4
"4994-16-5"	"DTXSID9047176"	"4-Phenyl-1-cyclohexene"	"EPA_DSSTox"	"C1C=CCCC1C1C=CC=CC=1"	"?"	"InChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-5,7-8,12H,6,9-10H2"	"XWCWNUSFQVJNDI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"4998-76-9"	"DTXSID0020361"	"Cyclohexylamine hydrochloride"	"EPA_DSSTox"	"NC1CCCCC1"	"Cl"	"InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2"	"PAFZNILMFXTMIY-UHFFFAOYSA-N"	FALSE	FALSE	720	3	4
"50-00-0"	"DTXSID7020637"	"Formaldehyde"	"EPA_DSSTox"	"C=O"	"?"	"InChI=1S/CH2O/c1-2/h1H2"	"WSFSSNUMVMOOMR-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"50-01-1"	"DTXSID7058757"	"Guanidine monohydrochloride"	"EPA_DSSTox"	"NC(N)=N"	"Cl"	"InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)"	"ZRALSGWEFCBTJO-UHFFFAOYSA-N"	FALSE	FALSE	474.8	2	4
"50-02-2"	"DTXSID3020384"	"Dexamethasone"	"EPA_DSSTox"	"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"	FALSE	TRUE	NA	3	5
"50-06-6"	"DTXSID5021122"	"Phenobarbital"	"EPA_DSSTox"	"CCC1(C2C=CC=CC=2)C(=O)NC(=O)NC1=O"	"?"	"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"	FALSE	FALSE	162	2	3
"50-07-7"	"DTXSID2020898"	"Mitomycin C"	"EPA_DSSTox"	"CC1C(=O)C2=C(C(COC(N)=O)C3(OC)C4NC4CN32)C(=O)C=1N"	"?"	"InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)"	"NWIBSHFKIJFRCO-UHFFFAOYSA-N"	TRUE	FALSE	30	1	2
"50-10-2"	"DTXSID4045632"	"Oxyphenonium bromide"	"EPA_DSSTox"	"C[N+](CCOC(=O)C(O)(C1CCCCC1)C1C=CC=CC=1)(CC)CC"	"[Br-]"	"InChI=1S/C21H34NO3/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,19,24H,4-5,7,10-11,14-17H2,1-3H3/q+1"	"GFRUPHOKLBPHTQ-UHFFFAOYSA-N"	FALSE	FALSE	995	3	4
"50-12-4"	"DTXSID9023257"	"Mephenytoin"	"EPA_DSSTox"	"CCC1(NC(=O)N(C)C1=O)C1C=CC=CC=1"	"?"	"InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)14(2)11(16)13-12/h4-8H,3H2,1-2H3,(H,13,16)"	"GMHKMTDVRCWUDX-UHFFFAOYSA-N"	FALSE	FALSE	850	3	4
"50-13-5"	NA	NA	"Public_CrossChecked"	"CCOC(=O)C1(CCN(C)CC1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3"	"XADCESSVHJOZHK-UHFFFAOYSA-N"	FALSE	FALSE	170	2	3
"50-14-6"	"DTXSID5020233"	"Ergocalciferol"	"EPA_DSSTox"	"CC(C)C(C)C=CC(C)C1CCC2C(CCCC21C)=CC=C1CC(O)CCC1=C"	"?"	"InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3"	"MECHNRXZTMCUDQ-UHFFFAOYSA-N"	TRUE	FALSE	10	1	2
"50-19-1"	NA	NA	"Public_CrossChecked"	"CCC(O)(COC(N)=O)C1C=CC=CC=1"	"?"	"InChI=1S/C11H15NO3/c1-2-11(14,8-15-10(12)13)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3,(H2,12,13)"	"WAFIYOULDIWAKR-UHFFFAOYSA-N"	FALSE	FALSE	607	3	4
"50-21-5"	"DTXSID7023192"	"Lactic acid"	"EPA_DSSTox"	"CC(O)C(O)=O"	"?"	"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)"	"JVTAAEKCZFNVCJ-UHFFFAOYSA-N"	FALSE	TRUE	3543	3	5
"50-27-1"	"DTXSID9022366"	"Estriol"	"EPA_DSSTox"	"CC12CCC3C(CCC4C=C(O)C=CC=43)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"	FALSE	TRUE	NA	3	5
"50-29-3"	"DTXSID4020375"	"p,p'-DDT"	"EPA_DSSTox"	"ClC(Cl)(Cl)C(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H"	"YVGGHNCTFXOJCH-UHFFFAOYSA-N"	FALSE	FALSE	87	2	3
"50-31-7"	"DTXSID6040296"	"2,3,6-Trichlorobenzoic acid"	"EPA_DSSTox"	"OC(=O)C1=C(Cl)C(Cl)=CC=C1Cl"	"?"	"InChI=1S/C7H3Cl3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)"	"XZIDTOHMJBOSOX-UHFFFAOYSA-N"	FALSE	FALSE	650	3	4
"50-33-9"	"DTXSID9021136"	"Phenylbutazone"	"EPA_DSSTox"	"CCCCC1C(=O)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O"	"?"	"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"	FALSE	FALSE	245	2	3
"50-34-0"	"DTXSID2023519"	"Propantheline bromide"	"EPA_DSSTox"	"C[N+](CCOC(=O)C1C2=CC=CC=C2OC2C=CC=CC=21)(C(C)C)C(C)C"	"[Br-]"	"InChI=1S/C23H30NO3/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22/h6-13,16-17,22H,14-15H2,1-5H3/q+1"	"VVWYOYDLCMFIEM-UHFFFAOYSA-N"	FALSE	FALSE	370	2	4
"50-45-3"	"DTXSID5024976"	"2,3-Dichlorobenzoic acid"	"EPA_DSSTox"	"OC(=O)C1=CC=CC(Cl)=C1Cl"	"?"	"InChI=1S/C7H4Cl2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)"	"QAOJBHRZQQDFHA-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"50-47-5"	"DTXSID6022896"	"Desipramine"	"EPA_DSSTox"	"CNCCCN1C2C=CC=CC=2CCC2C=CC=CC1=2"	"?"	"InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3"	"HCYAFALTSJYZDH-UHFFFAOYSA-N"	FALSE	FALSE	375	2	4
"50-49-7"	"DTXSID1043881"	"Imipramine"	"EPA_DSSTox"	"CN(C)CCCN1C2C=CC=CC=2CCC2C=CC=CC1=2"	"?"	"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"	FALSE	FALSE	250	2	3
"50-52-2"	"DTXSID6023656"	"Thioridazine"	"EPA_DSSTox"	"CN1CCCCC1CCN1C2=CC=CC=C2SC2C=CC(=CC1=2)SC"	"?"	"InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3"	"KLBQZWRITKRQQV-UHFFFAOYSA-N"	FALSE	FALSE	995	3	4
"50-53-3"	"DTXSID0022808"	"Chlorpromazine"	"EPA_DSSTox"	"CN(C)CCCN1C2C=CC=CC=2SC2C=CC(Cl)=CC1=2"	"?"	"InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3"	"ZPEIMTDSQAKGNT-UHFFFAOYSA-N"	FALSE	FALSE	142	2	3
"50-55-5"	"DTXSID7021237"	"Reserpine"	"EPA_DSSTox"	"COC1C=C(C=C(OC)C=1OC)C(=O)OC1CC2CN3CCC4C5C=CC(=CC=5NC=4C3CC2C(C1OC)C(=O)OC)OC"	"?"	"InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3"	"QEVHRUUCFGRFIF-UHFFFAOYSA-N"	FALSE	FALSE	420	2	4
"50-59-9"	"DTXSID9022782"	"Cephaloridine"	"EPA_DSSTox"	"OC(=O)C1=C(CSC2C(NC(=O)CC3=CC=CS3)C(=O)N12)C[N+]1C=CC=CC=1"	"?"	"InChI=1S/C19H17N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21/h1-8,15,18H,9-11H2,(H-,20,23,25,26)/p+1"	"CZTQZXZIADLWOZ-UHFFFAOYSA-O"	FALSE	TRUE	2500	3	5
"50-60-2"	"DTXSID4023462"	"Phentolamine"	"EPA_DSSTox"	"CC1C=CC(=CC=1)N(CC1NCCN=1)C1=CC(O)=CC=C1"	"?"	"InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)"	"MRBDMNSDAVCSSF-UHFFFAOYSA-N"	FALSE	FALSE	1250	3	4
"50-62-4"	NA	NA	"Public_CrossChecked"	"CN(CCN(C)CCCOC(=O)C1=CC(OC)=C(OC)C(=C1)OC)CCCOC(=O)C1=CC(OC)=C(OC)C(=C1)OC"	"Cl.Cl"	"InChI=1S/C30H44N2O10/c1-31(11-9-15-41-29(33)21-17-23(35-3)27(39-7)24(18-21)36-4)13-14-32(2)12-10-16-42-30(34)22-19-25(37-5)28(40-8)26(20-22)38-6/h17-20H,9-16H2,1-8H3"	"KRQAMFQCSAJCRH-UHFFFAOYSA-N"	FALSE	TRUE	2550	3	5
"50-65-7"	"DTXSID7040362"	"Niclosamide"	"EPA_DSSTox"	"[O-][N+](=O)C1C=C(Cl)C(=CC=1)NC(=O)C1C=C(Cl)C=CC=1O"	"?"	"InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)"	"RJMUSRYZPJIFPJ-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"50-70-4"	"DTXSID5023588"	"D-Glucitol"	"EPA_DSSTox"	"OC(CO)C(O)C(O)C(O)CO"	"?"	"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2"	"FBPFZTCFMRRESA-UHFFFAOYSA-N"	FALSE	TRUE	15900	4	5
"50-71-5"	"DTXSID5044946"	"Alloxan"	"EPA_DSSTox"	"O=C1NC(=O)C(=O)C(=O)N1"	"?"	"InChI=1S/C4H2N2O4/c7-1-2(8)5-4(10)6-3(1)9/h(H2,5,6,8,9,10)"	"HIMXGTXNXJYFGB-UHFFFAOYSA-N"	FALSE	TRUE	5210	4	5
"50-78-2"	"DTXSID5020108"	"Aspirin"	"EPA_DSSTox"	"CC(=O)OC1C=CC=CC=1C(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"	FALSE	FALSE	1275	3	4
"50-81-7"	"DTXSID5020106"	"L-Ascorbic acid"	"EPA_DSSTox"	"OC(CO)C1OC(=O)C(O)=C1O"	"?"	"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2"	"CIWBSHSKHKDKBQ-UHFFFAOYSA-N"	FALSE	TRUE	11900	4	5
"500-28-7"	"DTXSID9041784"	"Chlorthion"	"EPA_DSSTox"	"COP(=S)(OC1=CC(Cl)=C(C=C1)[N+]([O-])=O)OC"	"?"	"InChI=1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-6-3-4-8(10(11)12)7(9)5-6/h3-5H,1-2H3"	"NZNRRXXETLSZRO-UHFFFAOYSA-N"	FALSE	FALSE	285	2	3
"500-38-9"	"DTXSID5022437"	"Nordihydroguaiaretic acid"	"EPA_DSSTox"	"CC(CC1=CC(O)=C(O)C=C1)C(C)CC1=CC(O)=C(O)C=C1"	"?"	"InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3"	"HCZKYJDFEPMADG-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"500008-45-7"	"DTXSID2044345"	"Chlorantraniliprole"	"EPA_DSSTox"	"CC1=CC(Cl)=CC(=C1NC(=O)C1=CC(Br)=NN1C1=NC=CC=C1Cl)C(=O)NC"	"?"	"InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)"	"PSOVNZZNOMJUBI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"5002-47-1"	"DTXSID7023069"	"Fluphenazine decanoate"	"EPA_DSSTox"	"CCCCCCCCCC(=O)OCCN1CCN(CCCN2C3=CC=CC=C3SC3C=CC(=CC2=3)C(F)(F)F)CC1"	"?"	"InChI=1S/C32H44F3N3O2S/c1-2-3-4-5-6-7-8-14-31(39)40-24-23-37-21-19-36(20-22-37)17-11-18-38-27-12-9-10-13-29(27)41-30-16-15-26(25-28(30)38)32(33,34)35/h9-10,12-13,15-16,25H,2-8,11,14,17-24H2,1H3"	"VIQCGTZFEYDQMR-UHFFFAOYSA-N"	TRUE	FALSE	19	1	2
"5003-48-5"	"DTXSID5022649"	"Benorylate"	"EPA_DSSTox"	"CC(=O)NC1C=CC(=CC=1)OC(=O)C1=CC=CC=C1OC(C)=O"	"?"	"InChI=1S/C17H15NO5/c1-11(19)18-13-7-9-14(10-8-13)23-17(21)15-5-3-4-6-16(15)22-12(2)20/h3-10H,1-2H3,(H,18,19)"	"FEJKLNWAOXSSNR-UHFFFAOYSA-N"	FALSE	TRUE	3500	3	5
"5005-84-5"	NA	NA	"Public_CrossChecked"	"CC(C(O)=O)C1C=CC(=CC=1)C1C=CC=CC=1F"	"?"	"InChI=1S/C15H13FO2/c1-10(15(17)18)11-6-8-12(9-7-11)13-4-2-3-5-14(13)16/h2-10H,1H3,(H,17,18)"	"MSUHIIYPJIGYBH-UHFFFAOYSA-N"	FALSE	FALSE	337	2	4
"501-53-1"	"DTXSID9027158"	"Benzyl chloroformate"	"EPA_DSSTox"	"O=C(Cl)OCC1C=CC=CC=1"	"?"	"InChI=1S/C8H7ClO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2"	"HSDAJNMJOMSNEV-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"5014-11-9"	NA	NA	"Public_CrossChecked"	"OC(C1=CC2C3C(C1C2=C(C1C=CC=CN=1)C1C=CC=CC=1)C(=O)N(CC1C=CC=CN=1)C3=O)(C1C=CC=CN=1)C1C=CC=CC=1"	"?"	"InChI=1S/C39H30N4O3/c44-37-34-28-23-29(39(46,26-15-5-2-6-16-26)31-19-9-12-22-42-31)35(36(34)38(45)43(37)24-27-17-7-10-20-40-27)33(28)32(25-13-3-1-4-14-25)30-18-8-11-21-41-30/h1-23,28,34-36,46H,24H2"	"JCOPYYJLEVRFMA-UHFFFAOYSA-N"	TRUE	FALSE	5.2	1	2
"502-44-3"	"DTXSID4027159"	"2-Oxepanone"	"EPA_DSSTox"	"O=C1CCCCCO1"	"?"	"InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2"	"PAPBSGBWRJIAAV-UHFFFAOYSA-N"	FALSE	TRUE	4290	3	5
"502-47-6"	"DTXSID1047106"	"Citronellic acid"	"EPA_DSSTox"	"CC(C)=CCCC(C)CC(O)=O"	"?"	"InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)"	"GJWSUKYXUMVMGX-UHFFFAOYSA-N"	FALSE	TRUE	2610	3	5
"502-55-6"	"DTXSID2041672"	"Bis(ethylxanthogen)"	"EPA_DSSTox"	"CCOC(=S)SSC(=S)OCC"	"?"	"InChI=1S/C6H10O2S4/c1-3-7-5(9)11-12-6(10)8-4-2/h3-4H2,1-2H3"	"FVIGODVHAVLZOO-UHFFFAOYSA-N"	FALSE	FALSE	480	2	4
"5026-62-0"	"DTXSID1042156"	"Methylparaben sodium"	"EPA_DSSTox"	"COC(=O)C1C=CC(O)=CC=1"	"[Na+]"	"InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3"	"LXCFILQKKLGQFO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"5026-74-4"	"DTXSID8027585"	"4-(Diglycidylamino)phenyl glycidyl ether"	"EPA_DSSTox"	"C(C1CO1)N(CC1CO1)C1C=CC(=CC=1)OCC1CO1"	"?"	"InChI=1S/C15H19NO4/c1-3-12(17-9-15-10-20-15)4-2-11(1)16(5-13-7-18-13)6-14-8-19-14/h1-4,13-15H,5-10H2"	"AHIPJALLQVEEQF-UHFFFAOYSA-N"	FALSE	FALSE	1037	3	4
"50264-69-2"	"DTXSID5020782"	"Lonidamine"	"EPA_DSSTox"	"OC(=O)C1=NN(CC2=CC=C(Cl)C=C2Cl)C2C=CC=CC=21"	"?"	"InChI=1S/C15H10Cl2N2O2/c16-10-6-5-9(12(17)7-10)8-19-13-4-2-1-3-11(13)14(18-19)15(20)21/h1-7H,8H2,(H,20,21)"	"WDRYRZXSPDWGEB-UHFFFAOYSA-N"	FALSE	FALSE	1700	3	4
"50264-86-3"	"DTXSID70198266"	"1-P-chlorobenzyl-1H-indazole-3-carboxylic acid"	"EPA_DSSTox"	"OC(=O)C1=NN(CC2C=CC(Cl)=CC=2)C2C=CC=CC=21"	"?"	"InChI=1S/C15H11ClN2O2/c16-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)14(17-18)15(19)20/h1-8H,9H2,(H,19,20)"	"KVJTUQKSWFBPHG-UHFFFAOYSA-N"	FALSE	FALSE	1140	3	4
"5029-46-9"	"DTXSID40198293"	"Butanoic acid, 4,4,4-trinitro-"	"EPA_DSSTox"	"[O-][N+](=O)C(CCC(O)=O)([N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C4H5N3O8/c8-3(9)1-2-4(5(10)11,6(12)13)7(14)15/h1-2H2,(H,8,9)"	"ALYGFHXDFBTXMD-UHFFFAOYSA-N"	FALSE	FALSE	708	3	4
"503-74-2"	"DTXSID5029182"	"Isovaleric acid"	"EPA_DSSTox"	"CC(C)CC(O)=O"	"?"	"InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)"	"GWYFCOCPABKNJV-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"50335-55-2"	"DTXSID20198377"	"Mezilamine"	"EPA_DSSTox"	"CN1CCN(CC1)C1N=C(NC)N=C(Cl)C=1SC"	"?"	"InChI=1S/C11H18ClN5S/c1-13-11-14-9(12)8(18-3)10(15-11)17-6-4-16(2)5-7-17/h4-7H2,1-3H3,(H,13,14,15)"	"ITYXRJDDBZMFAY-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"50370-12-2"	"DTXSID8022749"	"Cefadroxil"	"EPA_DSSTox"	"CC1CSC2C(NC(=O)C(N)C3C=CC(O)=CC=3)C(=O)N2C=1C(O)=O"	"?"	"InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)"	"BOEGTKLJZSQCCD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"5039-78-1"	"DTXSID3027586"	"(2-(Methacryloyloxy)ethyl)trimethylammonium chloride"	"EPA_DSSTox"	"CC(=C)C(=O)OCC[N+](C)(C)C"	"[Cl-]"	"InChI=1S/C9H18NO2/c1-8(2)9(11)12-7-6-10(3,4)5/h1,6-7H2,2-5H3/q+1"	"USFMMZYROHDWPJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"504-15-4"	"DTXSID2060123"	"1,3-Benzenediol, 5-methyl-"	"EPA_DSSTox"	"CC1C=C(O)C=C(O)C=1"	"?"	"InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3"	"OIPPWFOQEKKFEE-UHFFFAOYSA-N"	FALSE	FALSE	844	3	4
"504-17-6"	"DTXSID7060124"	"4,6(1H,5H)-Pyrimidinedione, dihydro-2-thioxo-"	"EPA_DSSTox"	"O=C1CC(=O)NC(=S)N1"	"?"	"InChI=1S/C4H4N2O2S/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)"	"RVBUGGBMJDPOST-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"504-24-5"	"DTXSID0023870"	"4-Aminopyridine"	"EPA_DSSTox"	"NC1C=CN=CC=1"	"?"	"InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)"	"NUKYPUAOHBNCPY-UHFFFAOYSA-N"	TRUE	FALSE	14	1	2
"504-29-0"	"DTXSID0024505"	"2-Aminopyridine"	"EPA_DSSTox"	"NC1=CC=CC=N1"	"?"	"InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)"	"ICSNLGPSRYBMBD-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"504-63-2"	"DTXSID8041246"	"1,3-Propanediol"	"EPA_DSSTox"	"OCCCO"	"?"	"InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2"	"YPFDHNVEDLHUCE-UHFFFAOYSA-N"	FALSE	TRUE	15000	4	5
"50454-68-7"	"DTXSID10198487"	"Tolnidamine"	"EPA_DSSTox"	"CC1C=C(Cl)C=CC=1CN1N=C(C(O)=O)C2C=CC=CC1=2"	"?"	"InChI=1S/C16H13ClN2O2/c1-10-8-12(17)7-6-11(10)9-19-14-5-3-2-4-13(14)15(18-19)16(20)21/h2-8H,9H2,1H3,(H,20,21)"	"IWKDFIXLGQOEKD-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"50471-44-8"	"DTXSID4022361"	"Vinclozolin"	"EPA_DSSTox"	"CC1(C=C)OC(=O)N(C2C=C(Cl)C=C(Cl)C=2)C1=O"	"?"	"InChI=1S/C12H9Cl2NO3/c1-3-12(2)10(16)15(11(17)18-12)9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3"	"FSCWZHGZWWDELK-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"505-32-8"	"DTXSID2025474"	"Isophytol"	"EPA_DSSTox"	"CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C=C"	"?"	"InChI=1S/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3"	"KEVYVLWNCKMXJX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"505-52-2"	"DTXSID9021683"	"Tridecanedioic acid"	"EPA_DSSTox"	"OC(=O)CCCCCCCCCCCC(O)=O"	"?"	"InChI=1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17)"	"DXNCZXXFRKPEPY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"505-60-2"	"DTXSID0037100"	"Bis-(2-chloroethyl)sulfide"	"EPA_DSSTox"	"ClCCSCCCl"	"?"	"InChI=1S/C4H8Cl2S/c5-1-3-7-4-2-6/h1-4H2"	"QKSKPIVNLNLAAV-UHFFFAOYSA-N"	TRUE	FALSE	17	1	2
"505-66-8"	"DTXSID1060130"	"1H-1,4-Diazepine, hexahydro-"	"EPA_DSSTox"	"C1CCNCCN1"	"?"	"InChI=1S/C5H12N2/c1-2-6-4-5-7-3-1/h6-7H,1-5H2"	"FQUYSHZXSKYCSY-UHFFFAOYSA-N"	FALSE	TRUE	2830	3	5
"5050-91-9"	"DTXSID90873164"	"1,4-Anhydro-6-O-hexadecanoyl-D-glucitol"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O"	"?"	"InChI=1S/C22H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)27-17-19(24)22-21(26)18(23)16-28-22/h18-19,21-24,26H,2-17H2,1H3"	"IYFATESGLOUGBX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"50512-35-1"	"DTXSID8058110"	"Isoprothiolane"	"EPA_DSSTox"	"CC(C)OC(=O)C(=C1SCCS1)C(=O)OC(C)C"	"?"	"InChI=1S/C12H18O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h7-8H,5-6H2,1-4H3"	"UFHLMYOGRXOCSL-UHFFFAOYSA-N"	FALSE	FALSE	1190	3	4
"50528-97-7"	"DTXSID3046164"	"Xilobam"	"EPA_DSSTox"	"CC1C=CC=C(C)C=1NC(=O)NC1=CCCN1C"	"?"	"InChI=1S/C14H19N3O/c1-10-6-4-7-11(2)13(10)16-14(18)15-12-8-5-9-17(12)3/h4,6-8H,5,9H2,1-3H3,(H2,15,16,18)"	"NVLYEUVHRBEXNK-UHFFFAOYSA-N"	FALSE	FALSE	830	3	4
"5053-06-5"	"DTXSID4023048"	"Fenspiride"	"EPA_DSSTox"	"O=C1NCC2(CCN(CCC3C=CC=CC=3)CC2)O1"	"?"	"InChI=1S/C15H20N2O2/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18)"	"FVNFBBAOMBJTST-UHFFFAOYSA-N"	FALSE	FALSE	980	3	4
"5053-08-7"	"DTXSID3045770"	"Fenspiride hydrochloride"	"EPA_DSSTox"	"O=C1NCC2(CCN(CCC3C=CC=CC=3)CC2)O1"	"Cl"	"InChI=1S/C15H20N2O2/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18)"	"FVNFBBAOMBJTST-UHFFFAOYSA-N"	FALSE	FALSE	437	2	4
"50539-66-7"	"DTXSID90198546"	"Carbamic acid, methyl(phenylthio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester"	"EPA_DSSTox"	"CN(SC1C=CC=CC=1)C(=O)OC1C=CC=C2CC(C)(C)OC=12"	"?"	"InChI=1S/C18H19NO3S/c1-18(2)12-13-8-7-11-15(16(13)22-18)21-17(20)19(3)23-14-9-5-4-6-10-14/h4-11H,12H2,1-3H3"	"AGAFDJJQJCSMQQ-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"50539-70-3"	"DTXSID80198550"	"Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester"	"EPA_DSSTox"	"CC(C)(C)C1=CC=C(C=C1)SCNC(=O)OC1C=CC=C2CC(C)(C)OC2=1"	"?"	"InChI=1S/C22H27NO3S/c1-21(2,3)16-9-11-17(12-10-16)27-14-23-20(24)25-18-8-6-7-15-13-22(4,5)26-19(15)18/h6-12H,13-14H2,1-5H3,(H,23,24)"	"BPFWPAYVFBBACO-UHFFFAOYSA-N"	FALSE	FALSE	125	2	3
"50539-73-6"	"DTXSID60198553"	"Carbamic acid, ((4-chlorophenyl)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester"	"EPA_DSSTox"	"CC1(C)CC2=CC=CC(OC(=O)NCSC3C=CC(Cl)=CC=3)=C2O1"	"?"	"InChI=1S/C18H18ClNO3S/c1-18(2)10-12-4-3-5-15(16(12)23-18)22-17(21)20-11-24-14-8-6-13(19)7-9-14/h3-9H,10-11H2,1-2H3,(H,20,21)"	"FAXWCORADQOCMU-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"50539-74-7"	"DTXSID20198554"	"Carbamic acid, ((p-bromophenyl)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester"	"EPA_DSSTox"	"CC1(C)CC2=CC=CC(OC(=O)NCSC3C=CC(Br)=CC=3)=C2O1"	"?"	"InChI=1S/C18H18BrNO3S/c1-18(2)10-12-4-3-5-15(16(12)23-18)22-17(21)20-11-24-14-8-6-13(19)7-9-14/h3-9H,10-11H2,1-2H3,(H,20,21)"	"FXICJKYHVGBPND-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"50539-76-9"	"DTXSID40198556"	"Carbamic acid, methyl((pentachlorophenyl)thio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester"	"EPA_DSSTox"	"CN(SC1C(Cl)=C(Cl)C(Cl)=C(Cl)C=1Cl)C(=O)OC1C=CC=C2CC(C)(C)OC=12"	"?"	"InChI=1S/C18H14Cl5NO3S/c1-18(2)7-8-5-4-6-9(15(8)27-18)26-17(25)24(3)28-16-13(22)11(20)10(19)12(21)14(16)23/h4-6H,7H2,1-3H3"	"IOTVNIPKZLCUNI-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"50539-80-5"	"DTXSID30198560"	"Carbamic acid, methyl(methylthio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester"	"EPA_DSSTox"	"CSN(C)C(=O)OC1C=CC=C2CC(C)(C)OC=12"	"?"	"InChI=1S/C13H17NO3S/c1-13(2)8-9-6-5-7-10(11(9)17-13)16-12(15)14(3)18-4/h5-7H,8H2,1-4H3"	"XGRHWGZYFDQGOO-UHFFFAOYSA-N"	TRUE	FALSE	5	1	2
"50563-36-5"	"DTXSID3058111"	"Dimethachlor"	"EPA_DSSTox"	"CC1C=CC=C(C)C=1N(CCOC)C(=O)CCl"	"?"	"InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3"	"SCCDDNKJYDZXMM-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"50585-41-6"	"DTXSID6073524"	"2,3,7,8-Tetrabromodibenzo-p-dioxin"	"EPA_DSSTox"	"BrC1C=C2OC3C=C(Br)C(Br)=CC=3OC2=CC=1Br"	"?"	"InChI=1S/C12H4Br4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H"	"JZLQUWSWOJPCAK-UHFFFAOYSA-N"	TRUE	FALSE	0.1	1	1
"50588-13-1"	NA	NA	"Public_CrossChecked"	"CC12CCC3C(CCC4CC(OC(C)=O)C(CC43C)[N+]3(C)CCCCC3)C1CC(OC(C)=O)C2[N+]1(C)CCCCC1"	"[Br-].[Br-]"	"InChI=1S/C35H60N2O4/c1-24(38)40-31-21-26-13-14-27-28(35(26,4)23-30(31)36(5)17-9-7-10-18-36)15-16-34(3)29(27)22-32(41-25(2)39)33(34)37(6)19-11-8-12-20-37/h26-33H,7-23H2,1-6H3/q+2"	"VDHXEEFKMZFZMW-UHFFFAOYSA-N"	FALSE	FALSE	202	2	3
"50590-01-7"	"DTXSID30198621"	"Phosphorothioic acid, O-(3,5-dichloro-4-nitrophenyl) O,O-dimethyl ester"	"EPA_DSSTox"	"COP(=S)(OC1=CC(Cl)=C(C(Cl)=C1)[N+]([O-])=O)OC"	"?"	"InChI=1S/C8H8Cl2NO5PS/c1-14-17(18,15-2)16-5-3-6(9)8(11(12)13)7(10)4-5/h3-4H,1-2H3"	"OVKSLBFRJXAIOM-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"50594-66-6"	"DTXSID0020022"	"Acifluorfen"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC(=CC=1C(O)=O)OC1=CC=C(C=C1Cl)C(F)(F)F"	"?"	"InChI=1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)"	"NUFNQYOELLVIPL-UHFFFAOYSA-N"	FALSE	FALSE	1370	3	4
"50594-77-9"	"DTXSID7028019"	"Phenol, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-, acetate"	"EPA_DSSTox"	"CC(=O)OC1=CC(=CC=C1)OC1C=CC(=CC=1Cl)C(F)(F)F"	"?"	"InChI=1S/C15H10ClF3O3/c1-9(20)21-11-3-2-4-12(8-11)22-14-6-5-10(7-13(14)16)15(17,18)19/h2-8H,1H3"	"KNFRYRRZMRETJX-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"506-64-9"	"DTXSID9024306"	"Silver cyanide"	"EPA_DSSTox"	"C#N"	"[Ag+]"	"InChI=1S/CHN/c1-2/h1H"	"LELOWRISYMNNSU-UHFFFAOYSA-N"	FALSE	FALSE	123	2	3
"506-93-4"	"DTXSID3027164"	"Guanidine, mononitrate"	"EPA_DSSTox"	"NC(N)=N"	"[N+]([O-])(=O)O"	"InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)"	"ZRALSGWEFCBTJO-UHFFFAOYSA-N"	FALSE	FALSE	729.8	3	4
"5060-56-0"	NA	NA	"Public_CrossChecked"	"CN1CCCCC1CCN1C2=CC(Cl)=CC=C2SC2C=CC=CC1=2"	"?"	"InChI=1S/C20H23ClN2S/c1-22-12-5-4-6-16(22)11-13-23-17-7-2-3-8-19(17)24-20-10-9-15(21)14-18(20)23/h2-3,7-10,14,16H,4-6,11-13H2,1H3"	"SNXMQJGTZHNPCN-UHFFFAOYSA-N"	FALSE	FALSE	1200	3	4
"50602-40-9"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCCCCCCCCCC1NC(C)(C)CC(C)N=1"	"?"	"InChI=1S/C24H48N2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-25-22(2)21-24(3,4)26-23/h22H,5-21H2,1-4H3,(H,25,26)"	"KPXZRUNVUHGZDF-UHFFFAOYSA-N"	FALSE	FALSE	493	2	4
"50602-85-2"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCCNCCCCCCCC"	"?"	"InChI=1S/C18H39N/c1-3-5-7-9-11-12-14-16-18-19-17-15-13-10-8-6-4-2/h19H,3-18H2,1-2H3"	"UBBUHNHUKKIQAW-UHFFFAOYSA-N"	FALSE	TRUE	2395	3	5
"5064-31-3"	"DTXSID8027587"	"Glycine, N,N-bis(carboxymethyl)-, trisodium salt"	"EPA_DSSTox"	"OC(=O)CN(CC(O)=O)CC(O)=O"	"[Na+].[Na+].[Na+]"	"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"	FALSE	FALSE	1375	3	4
"50673-06-8"	"DTXSID60198710"	"Carbamic acid, methyl((1,1,2,2-tetrachloroethyl)thio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester"	"EPA_DSSTox"	"CC1(C)CC2=CC=CC(OC(=O)N(C)SC(Cl)(Cl)C(Cl)Cl)=C2O1"	"?"	"InChI=1S/C14H15Cl4NO3S/c1-13(2)7-8-5-4-6-9(10(8)22-13)21-12(20)19(3)23-14(17,18)11(15)16/h4-6,11H,7H2,1-3H3"	"FXLLMSIRQZLPOB-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"50673-09-1"	"DTXSID80198712"	"Carbamic acid, (dodecylthio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester"	"EPA_DSSTox"	"CCCCCCCCCCCCSN(C)C(=O)OC1C=CC=C2CC(C)(C)OC=12"	"?"	"InChI=1S/C24H39NO3S/c1-5-6-7-8-9-10-11-12-13-14-18-29-25(4)23(26)27-21-17-15-16-20-19-24(2,3)28-22(20)21/h15-17H,5-14,18-19H2,1-4H3"	"XGKJBVYASRHVAC-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"50673-10-4"	"DTXSID40198713"	"Carbamic acid, ((3,4-dichlorophenyl)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester"	"EPA_DSSTox"	"CN(SC1C=C(Cl)C(Cl)=CC=1)C(=O)OC1C=CC=C2CC(C)(C)OC=12"	"?"	"InChI=1S/C18H17Cl2NO3S/c1-18(2)10-11-5-4-6-15(16(11)24-18)23-17(22)21(3)25-12-7-8-13(19)14(20)9-12/h4-9H,10H2,1-3H3"	"ZOLUKWLBFWSPKJ-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"50673-11-5"	"DTXSID00198714"	"Carbamic acid, ((2,5-dichlorophenyl)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester"	"EPA_DSSTox"	"CN(SC1C=C(Cl)C=CC=1Cl)C(=O)OC1C=CC=C2CC(C)(C)OC=12"	"?"	"InChI=1S/C18H17Cl2NO3S/c1-18(2)10-11-5-4-6-14(16(11)24-18)23-17(22)21(3)25-15-9-12(19)7-8-13(15)20/h4-9H,10H2,1-3H3"	"UYXUEHSTKNPIHZ-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"507-09-5"	"DTXSID5060142"	"Ethanethioic acid"	"EPA_DSSTox"	"CC(O)=S"	"?"	"InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)"	"DUYAAUVXQSMXQP-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"507-55-1"	"DTXSID6042028"	"1,3-dichloro-1,1,2,2,3-pentafluoropropane"	"EPA_DSSTox"	"FC(F)(Cl)C(F)(F)C(F)Cl"	"?"	"InChI=1S/C3HCl2F5/c4-1(6)2(7,8)3(5,9)10/h1H"	"UJIGKESMIPTWJH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"507-59-5"	NA	NA	"Public_CrossChecked"	"CC(=O)OC1CC2(O)C(CCC3(C)C(CCC32O)c2coc(=O)cc2)C2(C)CCC(O)C=C21"	"?"	"InChI=1S/C26H34O7/c1-15(27)33-20-13-25(30)21(23(2)9-6-17(28)12-19(20)23)8-10-24(3)18(7-11-26(24,25)31)16-4-5-22(29)32-14-16/h4-5,12,14,17-18,20-21,28,30-31H,6-11,13H2,1-3H3"	"SOJXCEWHLPYBAF-UHFFFAOYSA-N"	TRUE	FALSE	4.2	1	1
"507-60-8"	"DTXSID5042374"	"Scilliroside"	"EPA_DSSTox"	"CC(=O)OC1CC2(O)C(CCC3(C)C(CCC32O)C2C=CC(=O)OC=2)C2(C)CCC(C=C21)OC1OC(CO)C(O)C(O)C1O"	"?"	"InChI=1S/C32H44O12/c1-16(34)42-21-13-31(39)23(8-10-30(3)19(7-11-32(30,31)40)17-4-5-24(35)41-15-17)29(2)9-6-18(12-20(21)29)43-28-27(38)26(37)25(36)22(14-33)44-28/h4-5,12,15,18-19,21-23,25-28,33,36-40H,6-11,13-14H2,1-3H3"	"LSMIOFMZNVEEBR-UHFFFAOYSA-N"	TRUE	FALSE	0.43	1	1
"50700-72-6"	"DTXSID1023736"	"Vecuronium bromide"	"EPA_DSSTox"	"CC12CCC3C(CCC4CC(OC(C)=O)C(CC43C)N3CCCCC3)C1CC(C2OC(C)=O)[N+]1(C)CCCCC1"	"[Br-]"	"InChI=1S/C34H57N2O4/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36/h25-32H,6-22H2,1-5H3/q+1"	"BGSZAXLLHYERSY-UHFFFAOYSA-N"	FALSE	FALSE	455	2	4
"5076-19-7"	NA	NA	"Public_CrossChecked"	"CC1OC1(C)C"	"?"	"InChI=1S/C5H10O/c1-4-5(2,3)6-4/h4H,1-3H3"	"QPBYBLZYMNWGMO-UHFFFAOYSA-N"	FALSE	TRUE	2635	3	5
"50765-71-4"	NA	NA	"Public_CrossChecked"	"CC(C)=CCC(CCN(C)C)(C#N)C1C=CC=C2C=CC=CC2=1"	"[Cl-]"	"InChI=1S/C21H26N2/c1-17(2)12-13-21(16-22,14-15-23(3)4)20-11-7-9-18-8-5-6-10-19(18)20/h5-12H,13-15H2,1-4H3"	"GEYZJEIXLLVQFM-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"50765-73-6"	NA	NA	"Public_CrossChecked"	"CC(C)=CCC(CCN(CC)CC)(C#N)C1C=CC=C2C=CC=CC2=1"	"[Cl-]"	"InChI=1S/C23H30N2/c1-5-25(6-2)17-16-23(18-24,15-14-19(3)4)22-13-9-11-20-10-7-8-12-21(20)22/h7-14H,5-6,15-17H2,1-4H3"	"NZIWUVYNHNIBKQ-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"50765-74-7"	NA	NA	"Public_CrossChecked"	"CC(C)=CCC(CCN1CCCC1)(C#N)C1C=CC=C2C=CC=CC2=1"	"Cl"	"InChI=1S/C23H28N2/c1-19(2)12-13-23(18-24,14-17-25-15-5-6-16-25)22-11-7-9-20-8-3-4-10-21(20)22/h3-4,7-12H,5-6,13-17H2,1-2H3"	"HEUCQMKPLIZSCL-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"50765-76-9"	NA	NA	"Public_CrossChecked"	"CC(C)=CCC(CCN1CCOCC1)(C#N)C1C=CC=C2C=CC=CC2=1"	"Cl"	"InChI=1S/C23H28N2O/c1-19(2)10-11-23(18-24,12-13-25-14-16-26-17-15-25)22-9-5-7-20-6-3-4-8-21(20)22/h3-10H,11-17H2,1-2H3"	"HAWDCYJWAOLQSX-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"50765-77-0"	NA	NA	"Public_CrossChecked"	"CC(CCN(CC=C(C)C)CC=C(C)C)(C#N)C1C=CC=C2C=CC=CC2=1"	"[Cl-]"	"InChI=1S/C25H32N2/c1-20(2)13-16-27(17-14-21(3)4)18-15-25(5,19-26)24-12-8-10-22-9-6-7-11-23(22)24/h6-14H,15-18H2,1-5H3"	"KFXBWTBBDCZYQZ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"50765-78-1"	NA	NA	"Public_CrossChecked"	"CCC(CCN(CC=C(C)C)CC=C(C)C)(C#N)C1C=CC=C2C=CC=CC2=1"	"[Cl-]"	"InChI=1S/C26H34N2/c1-6-26(20-27,25-13-9-11-23-10-7-8-12-24(23)25)16-19-28(17-14-21(2)3)18-15-22(4)5/h7-15H,6,16-19H2,1-5H3"	"PKTOWESZWAEYHM-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"50765-79-2"	NA	NA	"Public_CrossChecked"	"CC(C)C(CCN(CC=C(C)C)CC=C(C)C)(C#N)C1C=CC=C2C=CC=CC2=1"	"[Cl-]"	"InChI=1S/C27H36N2/c1-21(2)14-17-29(18-15-22(3)4)19-16-27(20-28,23(5)6)26-13-9-11-24-10-7-8-12-25(24)26/h7-15,23H,16-19H2,1-6H3"	"QSIFLBJOLAMSHJ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"50765-81-6"	NA	NA	"Public_CrossChecked"	"CC(C)=CCC(CCN(CC=C(C)C)CC=C(C)C)(C#N)C1C=CC=C2C=CC=CC2=1"	"Cl"	"InChI=1S/C29H38N2/c1-23(2)14-17-29(22-30,28-13-9-11-26-10-7-8-12-27(26)28)18-21-31(19-15-24(3)4)20-16-25(5)6/h7-16H,17-21H2,1-6H3"	"YOMJSHWQPBCSPC-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"50765-82-7"	"DTXSID70198802"	"1-Naphthaleneacetonitrile, alpha,alpha-bis(2-(bis(3-methyl-2-butenyl)amino)ethyl)-"	"EPA_DSSTox"	"CC(C)=CCN(CC=C(C)C)CCC(CCN(CC=C(C)C)CC=C(C)C)(C#N)C1=CC=CC2C=CC=CC=21"	"?"	"InChI=1S/C36H51N3/c1-29(2)16-22-38(23-17-30(3)4)26-20-36(28-37,35-15-11-13-33-12-9-10-14-34(33)35)21-27-39(24-18-31(5)6)25-19-32(7)8/h9-19H,20-27H2,1-8H3"	"DDWKCBUSQTZBMR-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"50765-83-8"	NA	NA	"Public_CrossChecked"	"CC(C)C(CC1C=CC=C2C=CC=CC=12)(CCN(CC=C(C)C)CC=C(C)C)C#N"	"[Cl-]"	"InChI=1S/C28H38N2/c1-22(2)14-17-30(18-15-23(3)4)19-16-28(21-29,24(5)6)20-26-12-9-11-25-10-7-8-13-27(25)26/h7-15,24H,16-20H2,1-6H3"	"NKZOPTDTXCNHIJ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"50765-86-1"	NA	NA	"Public_CrossChecked"	"CC(C)C(CCN(CC=C(C)C)CC=C(C)C)(C#N)C1=CC2C=CC=CC=2C=C1"	"Cl"	"InChI=1S/C27H36N2/c1-21(2)13-16-29(17-14-22(3)4)18-15-27(20-28,23(5)6)26-12-11-24-9-7-8-10-25(24)19-26/h7-14,19,23H,15-18H2,1-6H3"	"NUFKYQPVVONBRM-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"50765-87-2"	NA	NA	"Public_CrossChecked"	"CC(C)=CCC(CCN(C)C)(C(N)=O)C1C=CC=C2C=CC=CC2=1"	"?"	"InChI=1S/C21H28N2O/c1-16(2)12-13-21(20(22)24,14-15-23(3)4)19-11-7-9-17-8-5-6-10-18(17)19/h5-12H,13-15H2,1-4H3,(H2,22,24)"	"GNFSPFYMMKMHOG-UHFFFAOYSA-N"	FALSE	FALSE	143	2	3
"50765-88-3"	NA	NA	"Public_CrossChecked"	"CC(C)=CCC(CCN(C)CC)(C(N)=O)C1C=CC=C2C=CC=CC2=1"	"?"	"InChI=1S/C22H30N2O/c1-5-24(4)16-15-22(21(23)25,14-13-17(2)3)20-12-8-10-18-9-6-7-11-19(18)20/h6-13H,5,14-16H2,1-4H3,(H2,23,25)"	"BJFPXELCDQCHFX-UHFFFAOYSA-N"	FALSE	FALSE	71	2	3
"50765-89-4"	NA	NA	"Public_CrossChecked"	"CC(C)=CCC(CCN(CC)CC)(C(N)=O)C1C=CC=C2C=CC=CC2=1"	"?"	"InChI=1S/C23H32N2O/c1-5-25(6-2)17-16-23(22(24)26,15-14-18(3)4)21-13-9-11-19-10-7-8-12-20(19)21/h7-14H,5-6,15-17H2,1-4H3,(H2,24,26)"	"MPEKZXIZMHBUPD-UHFFFAOYSA-N"	FALSE	FALSE	71	2	3
"50765-93-0"	NA	NA	"Public_CrossChecked"	"CC(C)=CCN(CC=C(C)C)CCC(C(N)=O)C1C=CC=C2C=CC=CC2=1"	"?"	"InChI=1S/C24H32N2O/c1-18(2)12-15-26(16-13-19(3)4)17-14-23(24(25)27)22-11-7-9-20-8-5-6-10-21(20)22/h5-13,23H,14-17H2,1-4H3,(H2,25,27)"	"OLGVYMCHLGYBAQ-UHFFFAOYSA-N"	FALSE	FALSE	353	2	4
"50765-94-1"	NA	NA	"Public_CrossChecked"	"CC(CCN(CC=C(C)C)CC=C(C)C)(C(N)=O)C1C=CC=C2C=CC=CC2=1"	"?"	"InChI=1S/C25H34N2O/c1-19(2)13-16-27(17-14-20(3)4)18-15-25(5,24(26)28)23-12-8-10-21-9-6-7-11-22(21)23/h6-14H,15-18H2,1-5H3,(H2,26,28)"	"RTNGSSUSEKHOQR-UHFFFAOYSA-N"	FALSE	FALSE	353	2	4
"50765-95-2"	NA	NA	"Public_CrossChecked"	"CCC(CCN(CC=C(C)C)CC=C(C)C)(C(N)=O)C1C=CC=C2C=CC=CC2=1"	"?"	"InChI=1S/C26H36N2O/c1-6-26(25(27)29,24-13-9-11-22-10-7-8-12-23(22)24)16-19-28(17-14-20(2)3)18-15-21(4)5/h7-15H,6,16-19H2,1-5H3,(H2,27,29)"	"BKRMKEIIPLHUME-UHFFFAOYSA-N"	FALSE	FALSE	283	2	3
"50765-96-3"	NA	NA	"Public_CrossChecked"	"CC(C)=CCC(CCN(CC=C(C)C)CC=C(C)C)(C(N)=O)C1C=CC=C2C=CC=CC2=1"	"?"	"InChI=1S/C29H40N2O/c1-22(2)14-17-29(28(30)32,27-13-9-11-25-10-7-8-12-26(25)27)18-21-31(19-15-23(3)4)20-16-24(5)6/h7-16H,17-21H2,1-6H3,(H2,30,32)"	"XHMIIRLZSKEDPY-UHFFFAOYSA-N"	FALSE	FALSE	283	2	3
"50765-97-4"	"DTXSID30198803"	"1-Naphthaleneacetamide, alpha,alpha-bis(2-(bis(3-methyl-2-butenyl)amino)ethyl)-"	"EPA_DSSTox"	"CC(C)=CCN(CC=C(C)C)CCC(CCN(CC=C(C)C)CC=C(C)C)(C(N)=O)C1=CC=CC2C=CC=CC=21"	"?"	"InChI=1S/C36H53N3O/c1-28(2)16-22-38(23-17-29(3)4)26-20-36(35(37)40,34-15-11-13-32-12-9-10-14-33(32)34)21-27-39(24-18-30(5)6)25-19-31(7)8/h9-19H,20-27H2,1-8H3,(H2,37,40)"	"RCUAUWPBLXTBGM-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"50767-79-8"	"DTXSID70889400"	"9,11-Tetradecadien-1-ol, 1-acetate, (9Z,11E)-"	"EPA_DSSTox"	"CCC=CC=CCCCCCCCCOC(C)=O"	"?"	"InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-7H,3,8-15H2,1-2H3"	"RFEQLTBBKNKGGJ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"508-02-1"	"DTXSID50858790"	"Oleanic acid"	"EPA_DSSTox"	"CC1(C)CC2C3=CCC4C(C)(CCC5C4(C)CCC(O)C5(C)C)C3(C)CCC2(CC1)C(O)=O"	"?"	"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)"	"MIJYXULNPSFWEK-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"50802-69-2"	"DTXSID20198832"	"Carbamic acid, ((4-fluorophenyl)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester"	"EPA_DSSTox"	"CN(SC1C=CC(F)=CC=1)C(=O)OC1C=CC=C2CC(C)(C)OC=12"	"?"	"InChI=1S/C18H18FNO3S/c1-18(2)11-12-5-4-6-15(16(12)23-18)22-17(21)20(3)24-14-9-7-13(19)8-10-14/h4-10H,11H2,1-3H3"	"CFLJNVMICROPNV-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"50816-18-7"	"DTXSID4047125"	"9-Decenyl acetate"	"EPA_DSSTox"	"CC(=O)OCCCCCCCCC=C"	"?"	"InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3H,1,4-11H2,2H3"	"PIQXMYAEJSMANF-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"50847-11-5"	"DTXSID7049007"	"Ibudilast"	"EPA_DSSTox"	"CC(C)C(=O)C1C(=NN2C=CC=CC2=1)C(C)C"	"?"	"InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3"	"ZJVFLBOZORBYFE-UHFFFAOYSA-N"	FALSE	FALSE	1340	3	4
"5086-74-8"	NA	NA	"Public_CrossChecked"	"C1C(N=C2SCCN21)C1C=CC=CC=1"	"Cl"	"InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2"	"HLFSDGLLUJUHTE-UHFFFAOYSA-N"	FALSE	FALSE	480	2	4
"5089-76-9"	"DTXSID8052144"	"Tetrakis(1-methylpropyl) orthosilicate"	"EPA_DSSTox"	"CC(CC)O[Si](OC(C)CC)(OC(C)CC)OC(C)CC"	"?"	"InChI=1S/C16H36O4Si/c1-9-13(5)17-21(18-14(6)10-2,19-15(7)11-3)20-16(8)12-4/h13-16H,9-12H2,1-8H3"	"OQTSOKXAWXRIAC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"50892-23-4"	"DTXSID4020290"	"Pirinixic acid"	"EPA_DSSTox"	"CC1C(=CC=CC=1C)NC1C=C(Cl)N=C(N=1)SCC(O)=O"	"?"	"InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)"	"SZRPDCCEHVWOJX-UHFFFAOYSA-N"	FALSE	FALSE	1050	3	4
"509-14-8"	"DTXSID5021334"	"Tetranitromethane"	"EPA_DSSTox"	"[O-][N+](=O)C([N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/CN4O8/c6-2(7)1(3(8)9,4(10)11)5(12)13"	"NYTOUQBROMCLBJ-UHFFFAOYSA-N"	FALSE	FALSE	130	2	3
"509-86-4"	"DTXSID10198927"	"Heptabarbital"	"EPA_DSSTox"	"CCC1(C2CCCCCC=2)C(=O)NC(=O)NC1=O"	"?"	"InChI=1S/C13H18N2O3/c1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17/h7H,2-6,8H2,1H3,(H2,14,15,16,17,18)"	"PAZQYDJGLKSCSI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"50901-84-3"	NA	NA	"Public_CrossChecked"	"CC1N=C(N)CC1C1C=CC=CC=1"	"?"	"InChI=1S/C11H14N2/c1-8-10(7-11(12)13-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H2,12,13)"	"NGNYHARQUMXJAI-UHFFFAOYSA-N"	FALSE	FALSE	420	2	4
"50915-31-6"	"DTXSID90198945"	"Cyclophos"	"EPA_DSSTox"	"COP(=S)(OC1CCCCC1)OC"	"?"	"InChI=1S/C8H17O3PS/c1-9-12(13,10-2)11-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3"	"LSEJIXVUNZNVEF-UHFFFAOYSA-N"	FALSE	TRUE	2900	3	5
"50924-49-7"	"DTXSID8045777"	"Mizoribine"	"EPA_DSSTox"	"NC(=O)C1N=CN(C2OC(CO)C(O)C2O)C=1O"	"?"	"InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)"	"HZQDCMWJEBCWBR-UHFFFAOYSA-N"	FALSE	TRUE	2847	3	5
"50977-10-1"	NA	NA	"Public_CrossChecked"	"CC(C)CCCCCCCCCCOCCCN"	"?"	"InChI=1S/C16H35NO/c1-16(2)12-9-7-5-3-4-6-8-10-14-18-15-11-13-17/h16H,3-15,17H2,1-2H3"	"CUFBDUDYFHCIOH-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"50995-94-3"	"DTXSID40198995"	"Trilan"	"EPA_DSSTox"	"O=C1NC2C(=CC(Cl)=C(Cl)C=2Cl)O1"	"?"	"InChI=1S/C7H2Cl3NO2/c8-2-1-3-6(5(10)4(2)9)11-7(12)13-3/h1H,(H,11,12)"	"OOXHZCGBJSGVTN-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"51-03-6"	"DTXSID1021166"	"Piperonyl butoxide"	"EPA_DSSTox"	"CCCC1=CC2OCOC=2C=C1COCCOCCOCCCC"	"?"	"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"	FALSE	TRUE	4570	3	5
"51-06-9"	"DTXSID7023512"	"Procainamide"	"EPA_DSSTox"	"CCN(CCNC(=O)C1C=CC(N)=CC=1)CC"	"?"	"InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)"	"REQCZEXYDRLIBE-UHFFFAOYSA-N"	FALSE	FALSE	1950	3	4
"51-12-7"	"DTXSID1023362"	"Nialamide"	"EPA_DSSTox"	"O=C(CCNNC(=O)C1=CC=NC=C1)NCC1C=CC=CC=1"	"?"	"InChI=1S/C16H18N4O2/c21-15(18-12-13-4-2-1-3-5-13)8-11-19-20-16(22)14-6-9-17-10-7-14/h1-7,9-10,19H,8,11-12H2,(H,18,21)(H,20,22)"	"NOIIUHRQUVNIDD-UHFFFAOYSA-N"	FALSE	FALSE	1700	3	4
"51-14-9"	"DTXSID5042376"	"Sesamex"	"EPA_DSSTox"	"CCOCCOCCOC(C)OC1=CC=C2OCOC2=C1"	"?"	"InChI=1S/C15H22O6/c1-3-16-6-7-17-8-9-18-12(2)21-13-4-5-14-15(10-13)20-11-19-14/h4-5,10,12H,3,6-9,11H2,1-2H3"	"WABPPBHOPMUJHV-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"51-18-3"	"DTXSID3026225"	"Triethylenemelamine"	"EPA_DSSTox"	"C1CN1C1N=C(N=C(N=1)N1CC1)N1CC1"	"?"	"InChI=1S/C9H12N6/c1-2-13(1)7-10-8(14-3-4-14)12-9(11-7)15-5-6-15/h1-6H2"	"IUCJMVBFZDHPDX-UHFFFAOYSA-N"	TRUE	FALSE	13	1	2
"51-28-5"	"DTXSID0020523"	"2,4-Dinitrophenol"	"EPA_DSSTox"	"[O-][N+](=O)C1C=C(C=CC=1O)[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"	TRUE	FALSE	30	1	2
"51-34-3"	"DTXSID6023573"	"Scopolamine"	"EPA_DSSTox"	"CN1C2CC(CC1C1OC12)OC(=O)C(CO)C1C=CC=CC=1"	"?"	"InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3"	"STECJAGHUSJQJN-UHFFFAOYSA-N"	FALSE	TRUE	2650	3	5
"51-42-3"	"DTXSID3049415"	"Epinephrine bitartrate"	"EPA_DSSTox"	"CNCC(O)C1=CC(O)=C(O)C=C1"	"[C@@H]([C@H](C(O)=O)O)(C(O)=O)O"	"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3"	"UCTWMZQNUQWSLP-UHFFFAOYSA-N"	TRUE	FALSE	30	1	2
"51-52-5"	"DTXSID5021209"	"6-Propyl-2-thiouracil"	"EPA_DSSTox"	"CCCC1=CC(=O)NC(=S)N1"	"?"	"InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)"	"KNAHARQHSZJURB-UHFFFAOYSA-N"	FALSE	FALSE	1250	3	4
"51-55-8"	"DTXSID4020113"	"Atropine"	"EPA_DSSTox"	"CN1C2CC(CC1CC2)OC(=O)C(CO)C1C=CC=CC=1"	"?"	"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3"	"RKUNBYITZUJHSG-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"51-64-9"	"DTXSID8022907"	"Dextroamphetamine"	"EPA_DSSTox"	"CC(N)CC1C=CC=CC=1"	"?"	"InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3"	"KWTSXDURSIMDCE-UHFFFAOYSA-N"	TRUE	FALSE	38	1	2
"51-68-3"	"DTXSID9046940"	"Meclofenoxate"	"EPA_DSSTox"	"CN(C)CCOC(=O)COC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C12H16ClNO3/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11/h3-6H,7-9H2,1-2H3"	"XZTYGFHCIAKPGJ-UHFFFAOYSA-N"	FALSE	TRUE	2600	3	5
"51-71-8"	"DTXSID2041094"	"Phenelzine"	"EPA_DSSTox"	"NNCCC1C=CC=CC=1"	"?"	"InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2"	"RMUCZJUITONUFY-UHFFFAOYSA-N"	FALSE	FALSE	210	2	3
"51-77-4"	"DTXSID0048636"	"Gefarnate"	"EPA_DSSTox"	"CC(CCC=C(C)CCC=C(C)C)=CCCC(=O)OCC=C(C)CCC=C(C)C"	"?"	"InChI=1S/C27H44O2/c1-22(2)12-8-14-24(5)16-10-17-25(6)18-11-19-27(28)29-21-20-26(7)15-9-13-23(3)4/h12-13,16,18,20H,8-11,14-15,17,19,21H2,1-7H3"	"ZPACYDRSPFRDHO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"51-79-6"	"DTXSID9021427"	"Urethane"	"EPA_DSSTox"	"CCOC(N)=O"	"?"	"InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)"	"JOYRKODLDBILNP-UHFFFAOYSA-N"	FALSE	FALSE	1809	3	4
"51-83-2"	"DTXSID9022730"	"Carbachol"	"EPA_DSSTox"	"C[N+](C)(C)CCOC(N)=O"	"[Cl-]"	"InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1"	"VPJXQGSRWJZDOB-UHFFFAOYSA-O"	TRUE	FALSE	40	1	2
"510-15-6"	"DTXSID9020299"	"Chlorobenzilate"	"EPA_DSSTox"	"CCOC(=O)C(O)(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C16H14Cl2O3/c1-2-21-15(19)16(20,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,20H,2H2,1H3"	"RAPBNVDSDCTNRC-UHFFFAOYSA-N"	FALSE	FALSE	700	3	4
"51012-33-0"	"DTXSID4045210"	"Tiapride hydrochloride"	"EPA_DSSTox"	"COC1=CC=C(C=C1C(=O)NCCN(CC)CC)S(C)(=O)=O"	"Cl"	"InChI=1S/C15H24N2O4S/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)"	"JTVPZMFULRWINT-UHFFFAOYSA-N"	FALSE	TRUE	4840	3	5
"51022-69-6"	"DTXSID6045905"	"Amcinonide"	"EPA_DSSTox"	"CC(=O)OCC(=O)C12OC3(CCCC3)OC1CC1C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C"	"?"	"InChI=1S/C28H35FO7/c1-16(30)34-15-22(33)28-23(35-26(36-28)9-4-5-10-26)13-20-19-7-6-17-12-18(31)8-11-24(17,2)27(19,29)21(32)14-25(20,28)3/h8,11-12,19-21,23,32H,4-7,9-10,13-15H2,1-3H3"	"ILKJAFIWWBXGDU-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"51022-71-0"	"DTXSID8023341"	"Nabilone"	"EPA_DSSTox"	"CCCCCCC(C)(C)C1C=C(O)C2C3CC(=O)CCC3C(C)(C)OC=2C=1"	"?"	"InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3"	"GECBBEABIDMGGL-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"51026-28-9"	"DTXSID6042319"	"Potassium N-hydroxymethyl-N-methyldithiocarbamate"	"EPA_DSSTox"	"CN(CO)C(S)=S"	"[K+]"	"InChI=1S/C3H7NOS2/c1-4(2-5)3(6)7/h5H,2H2,1H3,(H,6,7)"	"UOULMNPQNCAUDL-UHFFFAOYSA-N"	FALSE	FALSE	590	3	4
"5103-71-9"	"DTXSID6038326"	"cis-Chlordane"	"EPA_DSSTox"	"ClC1(Cl)C2(Cl)C3CC(Cl)C(Cl)C3C1(Cl)C(Cl)=C2Cl"	"?"	"InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2"	"BIWJNBZANLAXMG-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"5104-49-4"	"DTXSID0037231"	"Flurbiprofen"	"EPA_DSSTox"	"CC(C(O)=O)C1=CC(F)=C(C=C1)C1C=CC=CC=1"	"?"	"InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)"	"SYTBZMRGLBWNTM-UHFFFAOYSA-N"	FALSE	FALSE	117	2	3
"51068-60-1"	"DTXSID00199069"	"Sulglycapin [ISO]"	"EPA_DSSTox"	"CNS(=O)(=O)OCC(=O)N1CCCCCC1"	"?"	"InChI=1S/C9H18N2O4S/c1-10-16(13,14)15-8-9(12)11-6-4-2-3-5-7-11/h10H,2-8H2,1H3"	"OTSYOPHQYHLKTK-UHFFFAOYSA-N"	FALSE	TRUE	2040	3	5
"511-13-7"	NA	NA	"Public_CrossChecked"	"CN(C)CCC(O)(C1C=CC=CC=1Cl)C1C=CC=CC=1"	"Cl"	"InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3"	"WRCHFMBCVFFYEQ-UHFFFAOYSA-N"	FALSE	FALSE	350	2	4
"5110-69-0"	NA	NA	"Public_CrossChecked"	"C[N+](C)(C)CCI"	"[I-]"	"InChI=1S/C5H13IN/c1-7(2,3)5-4-6/h4-5H2,1-3H3/q+1"	"NWKKUJPMZHQVOB-UHFFFAOYSA-N"	FALSE	FALSE	700	3	4
"5114-31-8"	NA	NA	"Public_CrossChecked"	"COP(=S)(OC)SC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C8H10ClO2PS2/c1-10-12(13,11-2)14-8-5-3-7(9)4-6-8/h3-6H,1-2H3"	"YLLXJRPQKHRNHV-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"51155-15-8"	"DTXSID60199181"	"Thiamphenicol aminoacetate hydrochloride"	"EPA_DSSTox"	"CC(CO)C(OC)C1=CC(C)=C(O)C(C)=C1"	"Cl"	"InChI=1S/C13H20O3/c1-8-5-11(6-9(2)12(8)15)13(16-4)10(3)7-14/h5-6,10,13-15H,7H2,1-4H3"	"DDKZMHXOHSFIPM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"51162-51-7"	"DTXSID8052146"	"O-Ethyl O-propan-2-yl phosphorochloridothioate"	"EPA_DSSTox"	"CCOP(=S)(Cl)OC(C)C"	"?"	"InChI=1S/C5H12ClO2PS/c1-4-7-9(6,10)8-5(2)3/h5H,4H2,1-3H3"	"YFCPDTHWTNVJIV-UHFFFAOYSA-N"	FALSE	FALSE	425	2	4
"5118-29-6"	"DTXSID4048274"	"Melitracen"	"EPA_DSSTox"	"CN(C)CCC=C1C2C=CC=CC=2C(C)(C)C2C=CC=CC=21"	"?"	"InChI=1S/C21H25N/c1-21(2)19-13-7-5-10-17(19)16(12-9-15-22(3)4)18-11-6-8-14-20(18)21/h5-8,10-14H,9,15H2,1-4H3"	"GWWLWDURRGNSRS-UHFFFAOYSA-N"	FALSE	FALSE	170	2	3
"512-04-9"	NA	NA	"Public_CrossChecked"	"CC1COC2(CC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C"	"?"	"InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3"	"WQLVFSAGQJTQCK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"512-16-3"	"DTXSID00862084"	"Cyclohexaneacetic acid, .alpha.-ethyl-1-hydroxy-"	"EPA_DSSTox"	"CCC(C(O)=O)C1(O)CCCCC1"	"?"	"InChI=1S/C10H18O3/c1-2-8(9(11)12)10(13)6-4-3-5-7-10/h8,13H,2-7H2,1H3,(H,11,12)"	"NIVFTEMPSCMWDE-UHFFFAOYSA-N"	FALSE	TRUE	4820	3	5
"512-48-1"	"DTXSID90199210"	"Valdetamide"	"EPA_DSSTox"	"CCC(CC=C)(CC)C(N)=O"	"?"	"InChI=1S/C9H17NO/c1-4-7-9(5-2,6-3)8(10)11/h4H,1,5-7H2,2-3H3,(H2,10,11)"	"LOMDVEFCNVDZMZ-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"512-56-1"	"DTXSID1021403"	"Trimethyl phosphate"	"EPA_DSSTox"	"COP(=O)(OC)OC"	"?"	"InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3"	"WVLBCYQITXONBZ-UHFFFAOYSA-N"	FALSE	FALSE	840	3	4
"512-85-6"	NA	NA	"Public_CrossChecked"	"CC12CCC(C=C1)(OO2)C(C)C"	"?"	"InChI=1S/C10H16O2/c1-8(2)10-6-4-9(3,5-7-10)11-12-10/h4,6,8H,5,7H2,1-3H3"	"MGYMHQJELJYRQS-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"51200-87-4"	"DTXSID0032314"	"4,4-Dimethyloxazolidine"	"EPA_DSSTox"	"CC1(C)COCN1"	"?"	"InChI=1S/C5H11NO/c1-5(2)3-7-4-6-5/h6H,3-4H2,1-2H3"	"GUQMDNQYMMRJPY-UHFFFAOYSA-N"	FALSE	FALSE	950	3	4
"51218-45-2"	"DTXSID4022448"	"Metolachlor"	"EPA_DSSTox"	"CC1C=CC=C(CC)C=1N(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"	FALSE	TRUE	2200	3	5
"51218-49-6"	"DTXSID8058112"	"Pretilachlor"	"EPA_DSSTox"	"CCCOCCN(C(=O)CCl)C1C(CC)=CC=CC=1CC"	"?"	"InChI=1S/C17H26ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17-14(5-2)8-7-9-15(17)6-3/h7-9H,4-6,10-13H2,1-3H3"	"YLPGTOIOYRQOHV-UHFFFAOYSA-N"	FALSE	TRUE	2200	3	5
"5123-63-7"	"DTXSID8063709"	"Benzenesulfonic acid, 3-(diethylamino)-, sodium salt"	"EPA_DSSTox"	"CCN(CC)C1C=C(C=CC=1)S(O)(=O)=O"	"[Na+]"	"InChI=1S/C10H15NO3S/c1-3-11(4-2)9-6-5-7-10(8-9)15(12,13)14/h5-8H,3-4H2,1-2H3,(H,12,13,14)"	"TYXZQVMCGZKDEK-UHFFFAOYSA-N"	FALSE	TRUE	7470	4	5
"51234-28-7"	"DTXSID4022650"	"Benoxaprofen"	"EPA_DSSTox"	"CC(C(O)=O)C1C=C2N=C(OC2=CC=1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C16H12ClNO3/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)"	"MITFXPHMIHQXPI-UHFFFAOYSA-N"	FALSE	FALSE	118	2	3
"51235-04-2"	"DTXSID4024145"	"Hexazinone"	"EPA_DSSTox"	"CN(C)C1=NC(=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"	FALSE	FALSE	1200	3	4
"5124-25-4"	"DTXSID8052148"	"C.I.Disperse Yellow 42"	"EPA_DSSTox"	"[O-][N+](=O)C1C=C(C=CC=1NC1C=CC=CC=1)S(=O)(=O)NC1C=CC=CC=1"	"?"	"InChI=1S/C18H15N3O4S/c22-21(23)18-13-16(26(24,25)20-15-9-5-2-6-10-15)11-12-17(18)19-14-7-3-1-4-8-14/h1-13,19-20H"	"BBFRYSKTTHYWQZ-UHFFFAOYSA-N"	FALSE	NA	NA	NA	NA
"5124-30-1"	"DTXSID3027588"	"1,1-Methylenebis(4-isocyanatocyclohexane)"	"EPA_DSSTox"	"O=C=NC1CCC(CC2CCC(CC2)N=C=O)CC1"	"?"	"InChI=1S/C15H22N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h12-15H,1-9H2"	"KORSJDCBLAPZEQ-UHFFFAOYSA-N"	FALSE	FALSE	1065	3	4
"51249-05-9"	"DTXSID30199259"	"Buminafos [ISO]"	"EPA_DSSTox"	"CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC"	"?"	"InChI=1S/C18H38NO3P/c1-4-7-15-19-18(13-11-10-12-14-18)23(20,21-16-8-5-2)22-17-9-6-3/h19H,4-17H2,1-3H3"	"NMBXMBCZBXUXAM-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"51276-47-2"	"DTXSID0043973"	"Glufosinate"	"EPA_DSSTox"	"CP(O)(=O)CCC(N)C(O)=O"	"?"	"InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)"	"IAJOBQBIJHVGMQ-UHFFFAOYSA-N"	FALSE	FALSE	1510	3	4
"5128-28-9"	"DTXSID7063710"	"2,1,3-Benzoxadiazole, 4,6-dinitro-, 1-oxide"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC2C(=NO[N+]=2[O-])C(=C1)[N+]([O-])=O"	"?"	"InChI=1S/C6H2N4O6/c11-8(12)3-1-4(9(13)14)6-5(2-3)10(15)16-7-6/h1-2H"	"YHBBUAULQKLKMW-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	NA
"513-10-0"	"DTXSID1022976"	"Echothiophate"	"EPA_DSSTox"	"C[N+](C)(C)CCSP(=O)(OCC)OCC"	"[I-]"	"InChI=1S/C9H23NO3PS/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5/h6-9H2,1-5H3/q+1"	"BJOLKYGKSZKIGU-UHFFFAOYSA-N"	TRUE	FALSE	0.174	1	1
"513-12-2"	"DTXSID50199296"	"2-(Ethylsulfonyl)ethanol"	"EPA_DSSTox"	"CCS(=O)(=O)CCO"	"?"	"InChI=1S/C4H10O3S/c1-2-8(6,7)4-3-5/h5H,2-4H2,1H3"	"LJNDRJPZYNGSKZ-UHFFFAOYSA-N"	FALSE	TRUE	18000	4	5
"513-44-0"	"DTXSID9060156"	"1-Propanethiol, 2-methyl-"	"EPA_DSSTox"	"CC(C)CS"	"?"	"InChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3"	"BDFAOUQQXJIZDG-UHFFFAOYSA-N"	FALSE	TRUE	7168	4	5
"513-49-5"	"DTXSID00883416"	"2-Butanamine, (2S)-"	"EPA_DSSTox"	"CCC(C)N"	"?"	"InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3"	"BHRZNVHARXXAHW-UHFFFAOYSA-N"	FALSE	FALSE	380	2	4
"513-53-1"	"DTXSID1041396"	"2-Butanethiol"	"EPA_DSSTox"	"CCC(C)S"	"?"	"InChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3"	"LOCHFZBWPCLPAN-UHFFFAOYSA-N"	FALSE	TRUE	5176	4	5
"513-77-9"	"DTXSID1029623"	"Carbonic acid, barium salt (1:1)"	"EPA_DSSTox"	"OC(O)=O"	"[Ba+2]"	"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)"	"BVKZGUZCCUSVTD-UHFFFAOYSA-N"	FALSE	FALSE	418	2	4
"513-78-0"	"DTXSID60883417"	"Carbonic acid, cadmium salt (1:1)"	"EPA_DSSTox"	"OC(O)=O"	"[Cd+2]"	"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)"	"BVKZGUZCCUSVTD-UHFFFAOYSA-N"	FALSE	FALSE	438	2	4
"513-79-1"	"DTXSID7052151"	"Cobalt(II) carbonate"	"EPA_DSSTox"	"OC(O)=O"	"[Co+2]"	"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)"	"BVKZGUZCCUSVTD-UHFFFAOYSA-N"	FALSE	FALSE	640	3	4
"513-85-9"	"DTXSID8041321"	"2,3-Butanediol"	"EPA_DSSTox"	"CC(O)C(C)O"	"?"	"InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3"	"OWBTYPJTUOEWEK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"51308-54-4"	NA	NA	"Public_CrossChecked"	"CCCCSC(=NC1C=CC=NC=1)SCC1C=CC(=CC=1)C(C)(C)C"	"?"	"InChI=1S/C21H28N2S2/c1-5-6-14-24-20(23-19-8-7-13-22-15-19)25-16-17-9-11-18(12-10-17)21(2,3)4/h7-13,15H,5-6,14,16H2,1-4H3"	"ZZVVDIVWGXTDRQ-UHFFFAOYSA-N"	FALSE	TRUE	2700	3	5
"5131-24-8"	"DTXSID3041902"	"Ditalimfos"	"EPA_DSSTox"	"CCOP(=S)(OCC)N1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C12H14NO4PS/c1-3-16-18(19,17-4-2)13-11(14)9-7-5-6-8-10(9)12(13)15/h5-8H,3-4H2,1-2H3"	"MTBZIGHNGSTDJV-UHFFFAOYSA-N"	FALSE	TRUE	4930	3	5
"5131-58-8"	"DTXSID1025770"	"4-Nitro-1,3-benzenediamine"	"EPA_DSSTox"	"NC1C=C(N)C(=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C6H7N3O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,7-8H2"	"DPIZKMGPXNXSGL-UHFFFAOYSA-N"	FALSE	TRUE	4500	3	5
"5131-66-8"	"DTXSID8027589"	"1-Butoxy-2-propanol"	"EPA_DSSTox"	"CCCCOCC(C)O"	"?"	"InChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3"	"RWNUSVWFHDHRCJ-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"51322-75-9"	"DTXSID9023679"	"Tizanidine"	"EPA_DSSTox"	"ClC1C=CC2=NSN=C2C=1NC1NCCN=1"	"?"	"InChI=1S/C9H8ClN5S/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9/h1-2H,3-4H2,(H2,11,12,13)"	"XFYDIVBRZNQMJC-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"51333-22-3"	"DTXSID8020202"	"Budesonide"	"EPA_DSSTox"	"CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(O1)C(=O)CO"	"?"	"InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3"	"VOVIALXJUBGFJZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"51338-27-3"	"DTXSID0032605"	"Diclofop-methyl"	"EPA_DSSTox"	"COC(=O)C(C)OC1C=CC(=CC=1)OC1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3"	"BACHBFVBHLGWSL-UHFFFAOYSA-N"	FALSE	FALSE	481	2	4
"5135-83-1"	NA	NA	"Public_CrossChecked"	"CN(C)CC(O)C1=CN(CC)C2=CC=CC=C21"	"?"	"InChI=1S/C14H20N2O/c1-4-16-9-12(14(17)10-15(2)3)11-7-5-6-8-13(11)16/h5-9,14,17H,4,10H2,1-3H3"	"STKHFYZBZLFYSR-UHFFFAOYSA-N"	FALSE	FALSE	80	2	3
"51356-06-0"	"DTXSID10199353"	"Phosphorodithioic acid, O,O-diethyl ester, S-ester with 2-(mercaptomethyl)-3(2H)-pyridazinone"	"EPA_DSSTox"	"CCOP(=S)(OCC)SCN1N=CC=CC1=O"	"?"	"InChI=1S/C9H15N2O3PS2/c1-3-13-15(16,14-4-2)17-8-11-9(12)6-5-7-10-11/h5-7H,3-4,8H2,1-2H3"	"XVWBUJDOHMNZFP-UHFFFAOYSA-N"	TRUE	FALSE	2.5	1	1
"51356-07-1"	"DTXSID70199354"	"Phosphorodithioic acid, O,O-diisopropyl ester, S-ester with 2-(mercaptomethyl)-3(2H)-pyridazinone"	"EPA_DSSTox"	"CC(C)OP(=S)(OC(C)C)SCN1N=CC=CC1=O"	"?"	"InChI=1S/C11H19N2O3PS2/c1-9(2)15-17(18,16-10(3)4)19-8-13-11(14)6-5-7-12-13/h5-7,9-10H,8H2,1-4H3"	"ZNKPARAODWSWPF-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"51356-08-2"	"DTXSID30199355"	"Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-6-methyl-3(2H)-pyridazinone"	"EPA_DSSTox"	"CC1C=CC(=O)N(CSP(=S)(OC)OC)N=1"	"?"	"InChI=1S/C8H13N2O3PS2/c1-7-4-5-8(11)10(9-7)6-16-14(15,12-2)13-3/h4-5H,6H2,1-3H3"	"QZZGYXYUHWOEOY-UHFFFAOYSA-N"	TRUE	FALSE	8.75	1	2
"51356-09-3"	"DTXSID90199356"	"Phosphorodithioic acid, O,O-diethyl ester, S-ester with 2-(mercaptomethyl)-6-methyl-3(2H)-pyridazinone"	"EPA_DSSTox"	"CC1C=CC(=O)N(CSP(=S)(OCC)OCC)N=1"	"?"	"InChI=1S/C10H17N2O3PS2/c1-4-14-16(17,15-5-2)18-8-12-10(13)7-6-9(3)11-12/h6-7H,4-5,8H2,1-3H3"	"BNMJWNASOCWVOX-UHFFFAOYSA-N"	TRUE	FALSE	45	1	2
"51356-10-6"	"DTXSID50199357"	"Phosphorodithioic acid, O,O-diisopropyl ester, S-ester with 2-(mercaptomethyl)-6-methyl-3(2H)-pyridazinone"	"EPA_DSSTox"	"CC1C=CC(=O)N(CSP(=S)(OC(C)C)OC(C)C)N=1"	"?"	"InChI=1S/C12H21N2O3PS2/c1-9(2)16-18(19,17-10(3)4)20-8-14-12(15)7-6-11(5)13-14/h6-7,9-10H,8H2,1-5H3"	"FLLJZESIBGROLI-UHFFFAOYSA-N"	FALSE	FALSE	155	2	3
"51356-11-7"	"DTXSID10199358"	"Phosphorothioic acid, O,O-diethyl ester, S-ester with 2-(mercaptomethyl)-6-methyl-3(2H)-pyridazinone"	"EPA_DSSTox"	"CC1C=CC(=O)N(CSP(=O)(OCC)OCC)N=1"	"?"	"InChI=1S/C10H17N2O4PS/c1-4-15-17(14,16-5-2)18-8-12-10(13)7-6-9(3)11-12/h6-7H,4-5,8H2,1-3H3"	"DRYHEBJYIPWIDT-UHFFFAOYSA-N"	TRUE	FALSE	6.5	1	2
"51356-12-8"	"DTXSID70199359"	"Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 6-ethyl-2-(mercaptomethyl)-3(2H)-pyridazinone"	"EPA_DSSTox"	"CCC1C=CC(=O)N(CSP(=S)(OC)OC)N=1"	"?"	"InChI=1S/C9H15N2O3PS2/c1-4-8-5-6-9(12)11(10-8)7-17-15(16,13-2)14-3/h5-6H,4,7H2,1-3H3"	"RQKHHXBZPHGBLF-UHFFFAOYSA-N"	TRUE	FALSE	30	1	2
"51356-13-9"	"DTXSID80199360"	"Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-ethyl-2-(mercaptomethyl)-3(2H)-pyridazinone"	"EPA_DSSTox"	"CCC1C=CC(=O)N(CSP(=S)(OCC)OCC)N=1"	"?"	"InChI=1S/C11H19N2O3PS2/c1-4-10-7-8-11(14)13(12-10)9-19-17(18,15-5-2)16-6-3/h7-8H,4-6,9H2,1-3H3"	"PLJVVXJIEJESNO-UHFFFAOYSA-N"	TRUE	FALSE	18.75	1	2
"51356-15-1"	"DTXSID00199362"	"Phosphorodithioic acid, O,O-diethyl ester, S-ester with 2-(mercaptomethyl)-6-phenyl-3(2H)-pyridazinone"	"EPA_DSSTox"	"CCOP(=S)(OCC)SCN1N=C(C=CC1=O)C1C=CC=CC=1"	"?"	"InChI=1S/C15H19N2O3PS2/c1-3-19-21(22,20-4-2)23-12-17-15(18)11-10-14(16-17)13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3"	"CLVAPILDCHUUJY-UHFFFAOYSA-N"	FALSE	FALSE	555	3	4
"51356-16-2"	"DTXSID60199363"	"Phosphorodithioic acid, O,O-diisopropyl ester, S-ester with 2-(mercaptomethyl)-6-phenyl-3(2H)-pyridazinone"	"EPA_DSSTox"	"CC(C)OP(=S)(OC(C)C)SCN1N=C(C=CC1=O)C1C=CC=CC=1"	"?"	"InChI=1S/C17H23N2O3PS2/c1-13(2)21-23(24,22-14(3)4)25-12-19-17(20)11-10-16(18-19)15-8-6-5-7-9-15/h5-11,13-14H,12H2,1-4H3"	"UCSLITIPDUSCNV-UHFFFAOYSA-N"	FALSE	TRUE	25000	4	5
"51356-18-4"	"DTXSID80199365"	"Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 6-bromo-2-(mercaptomethyl)-3(2H)-pyridazinone"	"EPA_DSSTox"	"COP(=S)(OC)SCN1N=C(Br)C=CC1=O"	"?"	"InChI=1S/C7H10BrN2O3PS2/c1-12-14(15,13-2)16-5-10-7(11)4-3-6(8)9-10/h3-4H,5H2,1-2H3"	"PESYXCZMIFLYLZ-UHFFFAOYSA-N"	TRUE	FALSE	3.75	1	1
"51356-21-9"	"DTXSID60199368"	"Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-5-methyl-3(2H)-pyridazinone"	"EPA_DSSTox"	"CC1=CC(=O)N(CSP(=S)(OCC)OCC)N=C1Cl"	"?"	"InChI=1S/C10H16ClN2O3PS2/c1-4-15-17(18,16-5-2)19-7-13-9(14)6-8(3)10(11)12-13/h6H,4-5,7H2,1-3H3"	"NJEIQGPHXWTQSQ-UHFFFAOYSA-N"	FALSE	FALSE	90	2	3
"51356-22-0"	"DTXSID20199369"	"Phosphorodithioic acid, O,O-diisopropyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-5-methyl-3(2H)-pyridazinone"	"EPA_DSSTox"	"CC1=CC(=O)N(CSP(=S)(OC(C)C)OC(C)C)N=C1Cl"	"?"	"InChI=1S/C12H20ClN2O3PS2/c1-8(2)17-19(20,18-9(3)4)21-7-15-11(16)6-10(5)12(13)14-15/h6,8-9H,7H2,1-5H3"	"GRZJSFMXQISUNW-UHFFFAOYSA-N"	FALSE	FALSE	110	2	3
"51356-23-1"	"DTXSID30199370"	"Phosphorothioic acid, O,O-diethyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-5-methyl-3(2H)-pyridazinone"	"EPA_DSSTox"	"CC1=CC(=O)N(CSP(=O)(OCC)OCC)N=C1Cl"	"?"	"InChI=1S/C10H16ClN2O4PS/c1-4-16-18(15,17-5-2)19-7-13-9(14)6-8(3)10(11)12-13/h6H,4-5,7H2,1-3H3"	"CJDYYANDXQMNPX-UHFFFAOYSA-N"	TRUE	FALSE	27	1	2
"51368-55-9"	"DTXSID80199380"	"Isopropyl 2-bromo-2-methylpropionate"	"EPA_DSSTox"	"CC(C)OC(=O)C(C)(C)Br"	"?"	"InChI=1S/C7H13BrO2/c1-5(2)10-6(9)7(3,4)8/h5H,1-4H3"	"UNZJYKKJZGIFCG-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"5137-55-3"	"DTXSID1044487"	"Methyltrioctylammonium chloride"	"EPA_DSSTox"	"C[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC"	"[Cl-]"	"InChI=1S/C25H54N/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3/h5-25H2,1-4H3/q+1"	"ZUZLIXGTXQBUDC-UHFFFAOYSA-N"	FALSE	FALSE	223	2	3
"51371-34-7"	NA	NA	"Public_CrossChecked"	"N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1C=CC=CC=1"	"?"	"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2"	"XUCIJNAGGSZNQT-UHFFFAOYSA-N"	FALSE	FALSE	517	3	4
"51376-77-3"	"DTXSID20199384"	"Phosphorothioic acid, O,O-diethyl ester, S-ester with 2-(mercaptomethyl)-3(2H)-pyridazinone"	"EPA_DSSTox"	"CCOP(=O)(OCC)SCN1N=CC=CC1=O"	"?"	"InChI=1S/C9H15N2O4PS/c1-3-14-16(13,15-4-2)17-8-11-9(12)6-5-7-10-11/h5-7H,3-4,8H2,1-2H3"	"QMWADXAINROGIU-UHFFFAOYSA-N"	TRUE	FALSE	2	1	1
"514-36-3"	"DTXSID2023062"	"Fludrocortisone acetate"	"EPA_DSSTox"	"CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC12C"	"?"	"InChI=1S/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3"	"SYWHXTATXSMDSB-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"514-65-8"	"DTXSID6022680"	"Biperiden"	"EPA_DSSTox"	"OC(CCN1CCCCC1)(C1CC2CC1C=C2)C1C=CC=CC=1"	"?"	"InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2"	"YSXKPIUOCJLQIE-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"5141-20-8"	"DTXSID8020672"	"FD&C Green No. 2"	"EPA_DSSTox"	"CC[N+](CC1C=C(C=CC=1)S(O)(=O)=O)=C1C=CC(C=C1)=C(C1C=CC(=CC=1)S(O)(=O)=O)C1C=CC(=CC=1)N(CC1=CC(=CC=C1)S(O)(=O)=O)CC |c:14,t:21|"	"[Na+].[Na+]"	"InChI=1S/C37H36N2O9S3/c1-3-38(25-27-7-5-9-35(23-27)50(43,44)45)32-17-11-29(12-18-32)37(31-15-21-34(22-16-31)49(40,41)42)30-13-19-33(20-14-30)39(4-2)26-28-8-6-10-36(24-28)51(46,47)48/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48)/p+1"	"FVGANPIKNNCIKX-UHFFFAOYSA-O"	FALSE	TRUE	NA	3	5
"51410-30-1"	"DTXSID1046637"	"Pirenoxine sodium"	"EPA_DSSTox"	"OC(=O)C1=CC(O)=C2C(=N1)C(=O)C=C1OC3C=CC=CC=3N=C12"	"[Na+]"	"InChI=1S/C16H8N2O5/c19-9-5-8(16(21)22)18-14-10(20)6-12-15(13(9)14)17-7-3-1-2-4-11(7)23-12/h1-6H,(H,18,19)(H,21,22)"	"OKPNYGAWTYOBFZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"51411-04-2"	"DTXSID7045655"	"Alrestatin"	"EPA_DSSTox"	"OC(=O)CN1C(=O)C2=CC=CC3C=CC=C(C=32)C1=O"	"?"	"InChI=1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17)"	"GCUCIFQCGJIRNT-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"5144-52-5"	NA	NA	"Public_CrossChecked"	"C(C1NCCN=1)C1C=CC=C2C=CC=CC=12"	"[N+](=O)(O)[O-]"	"InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)"	"CNIIGCLFLJGOGP-UHFFFAOYSA-N"	FALSE	FALSE	1260	3	4
"51442-09-2"	"DTXSID30199416"	"Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 4,6(or 5,6)-dichloro-2-(mercaptomethyl)-3(2H)-pyridazinone"	"EPA_DSSTox"	"COP(=S)(OC)SCN1N=C(Cl)C(Cl)=CC1=O"	"?"	"InChI=1S/C7H9Cl2N2O3PS2/c1-13-15(16,14-2)17-4-11-6(12)3-5(8)7(9)10-11/h3H,4H2,1-2H3"	"YLVHYZFKXFNREQ-UHFFFAOYSA-N"	FALSE	TRUE	12000	4	5
"51442-10-5"	"DTXSID90199417"	"Phosphorodithioic acid, O,O-diethyl ester, S-ester with 4,6(or 5,6)-dichloro-2-(mercaptomethyl)-3(2H)-pyridazinone"	"EPA_DSSTox"	"CCOP(=S)(OCC)SCN1N=C(Cl)C(Cl)=CC1=O"	"?"	"InChI=1S/C9H13Cl2N2O3PS2/c1-3-15-17(18,16-4-2)19-6-13-8(14)5-7(10)9(11)12-13/h5H,3-4,6H2,1-2H3"	"SOFLOXHTJSYKRL-UHFFFAOYSA-N"	FALSE	FALSE	1875	3	4
"51460-26-5"	"DTXSID9022732"	"Carbazochrome sodium sulfonate"	"EPA_DSSTox"	"CN1C(CC2=CC(=NNC(N)=O)C(=O)C=C12)S(O)(=O)=O"	"[Na+]"	"InChI=1S/C10H12N4O5S/c1-14-7-4-8(15)6(12-13-10(11)16)2-5(7)3-9(14)20(17,18)19/h2,4,9H,3H2,1H3,(H3,11,13,16)(H,17,18,19)"	"OZCACMPSTYQSMM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"51473-23-5"	NA	NA	"Public_CrossChecked"	"CN1CC(CC2C1CC1=C(Cl)NC3C=CC=C2C1=3)CC#N"	"CS(=O)(=O)O"	"InChI=1S/C17H18ClN3/c1-21-9-10(5-6-19)7-12-11-3-2-4-14-16(11)13(8-15(12)21)17(18)20-14/h2-4,10,12,15,20H,5,7-9H2,1H3"	"JKAHWGPTNVUTNB-UHFFFAOYSA-N"	FALSE	FALSE	290	2	3
"51481-61-9"	"DTXSID4020329"	"Cimetidine"	"EPA_DSSTox"	"CC1NC=NC=1CSCCN/C(/NC)=N/C#N"	"?"	"InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)"	"AQIXAKUUQRKLND-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"51484-40-3"	"DTXSID10199459"	"Difenpiramide"	"EPA_DSSTox"	"O=C(CC1C=CC(=CC=1)C1C=CC=CC=1)NC1C=CC=CN=1"	"?"	"InChI=1S/C19H16N2O/c22-19(21-18-8-4-5-13-20-18)14-15-9-11-17(12-10-15)16-6-2-1-3-7-16/h1-13H,14H2,(H,20,21,22)"	"PWHROYKAGRUWDQ-UHFFFAOYSA-N"	FALSE	FALSE	1857	3	4
"515-03-7"	"DTXSID0047111"	"Sclareol"	"EPA_DSSTox"	"CC1(C)CCCC2(C)C1CCC(C)(O)C2CCC(C)(O)C=C"	"?"	"InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3"	"XVULBTBTFGYVRC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"515-49-1"	"DTXSID4046868"	"Sulfathiourea"	"EPA_DSSTox"	"NC1C=CC(=CC=1)S(=O)(=O)NC(N)=S"	"?"	"InChI=1S/C7H9N3O2S2/c8-5-1-3-6(4-2-5)14(11,12)10-7(9)13/h1-4H,8H2,(H3,9,10,13)"	"UEMLYRZWLVXWRU-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"515-84-4"	"DTXSID9060158"	"Acetic acid, trichloro-, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C4H5Cl3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3"	"SJMLNDPIJZBEKY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"51505-90-9"	"DTXSID00199488"	"N,N-bis(2-aminoethyl(aminomethyl))phenol"	"EPA_DSSTox"	"NCCNCCNCC1C=CC=CC=1O"	"?"	"InChI=1S/C11H19N3O/c12-5-6-13-7-8-14-9-10-3-1-2-4-11(10)15/h1-4,13-15H,5-9,12H2"	"HHBMAADIVDZLKY-UHFFFAOYSA-N"	FALSE	TRUE	2300	3	5
"51528-03-1"	"DTXSID3058113"	"Prosulfalin"	"EPA_DSSTox"	"CS(C)=NS(=O)(=O)C1=CC(=C(C(=C1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O"	"?"	"InChI=1S/C14H22N4O6S2/c1-5-7-16(8-6-2)14-12(17(19)20)9-11(10-13(14)18(21)22)26(23,24)15-25(3)4/h9-10H,5-8H2,1-4H3"	"LKVOXDJKFRBRQV-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"51550-64-2"	NA	NA	"Public_CrossChecked"	"CC(C)COC(=O)CCCOC1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C14H18Cl2O3/c1-10(2)9-19-14(17)4-3-7-18-13-6-5-11(15)8-12(13)16/h5-6,8,10H,3-4,7,9H2,1-2H3"	"ASZGOMRWZJMION-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"51566-62-2"	"DTXSID7052155"	"3,7-Dimethyloct-6-enenitrile"	"EPA_DSSTox"	"CC(CC#N)CCC=C(C)C"	"?"	"InChI=1S/C10H17N/c1-9(2)5-4-6-10(3)7-8-11/h5,10H,4,6-7H2,1-3H3"	"MTDAKBBUYMYKAR-UHFFFAOYSA-N"	FALSE	TRUE	5300	4	5
"51580-86-0"	"DTXSID0029761"	"Sodium dichloro-s-triazinetrione dihydrate"	"EPA_DSSTox"	"OC1=NC(=O)N(Cl)C(=O)N1Cl"	"O.O.[Na+]"	"InChI=1S/C3HCl2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)"	"CEJLBZWIKQJOAT-UHFFFAOYSA-N"	FALSE	FALSE	1671	3	4
"51594-83-3"	"DTXSID8058114"	"Mieshuan"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC(=CC=1)NC(=O)OCC1=CN=CC=C1"	"?"	"InChI=1S/C13H11N3O4/c17-13(20-9-10-2-1-7-14-8-10)15-11-3-5-12(6-4-11)16(18)19/h1-8H,9H2,(H,15,17)"	"NEJBEZATSQIMQM-UHFFFAOYSA-N"	TRUE	FALSE	14	1	2
"51596-10-2"	"DTXSID1058391"	"Milbemectin"	"EPA_DSSTox"	"CC1=CC2C(=O)OC3CC4(CCC(C)C(C)O4)OC(CC=C(C)CC(C)C=CC=C4COC(C1O)C42O)C3 |c:21|"	"?"	"InChI=1S/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6?,19-9+,23-8?"	"ZLBGSRMUSVULIE-QNWRDQINSA-N"	FALSE	FALSE	456	2	4
"516-95-0"	"DTXSID90883420"	"Cholestan-3-ol, (3.alpha.,5.alpha.)-"	"EPA_DSSTox"	"CC(C)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C"	"?"	"InChI=1S/C27H48O/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/h18-25,28H,6-17H2,1-5H3"	"QYIXCDOBOSTCEI-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"51630-58-1"	"DTXSID3020621"	"Fenvalerate"	"EPA_DSSTox"	"CC(C)C(C1=CC=C(Cl)C=C1)C(=O)OC(C#N)C1C=C(C=CC=1)OC1C=CC=CC=1"	"?"	"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"	FALSE	FALSE	135.1	2	3
"51632-16-7"	"DTXSID6028022"	"1-(Bromomethyl)-3-phenoxybenzene"	"EPA_DSSTox"	"BrCC1C=C(C=CC=1)OC1C=CC=CC=1"	"?"	"InChI=1S/C13H11BrO/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9H,10H2"	"UJUNUASMYSTBSK-UHFFFAOYSA-N"	FALSE	TRUE	2326	3	5
"51671-08-0"	"DTXSID10199611"	"Benzoic acid, 2-((2,4-dichloro-1-naphthalenyl)amino)-"	"EPA_DSSTox"	"OC(=O)C1C=CC=CC=1NC1C2C=CC=CC=2C(Cl)=CC=1Cl"	"?"	"InChI=1S/C17H11Cl2NO2/c18-13-9-14(19)16(11-6-2-1-5-10(11)13)20-15-8-4-3-7-12(15)17(21)22/h1-9,20H,(H,21,22)"	"IIYRDOASPQJNPK-UHFFFAOYSA-N"	FALSE	TRUE	8500	4	5
"51671-14-8"	"DTXSID90199614"	"Benzoic acid, 2-((4-chloro-1-naphthalenyl)amino)-"	"EPA_DSSTox"	"OC(=O)C1C=CC=CC=1NC1=CC=C(Cl)C2C=CC=CC=21"	"?"	"InChI=1S/C17H12ClNO2/c18-14-9-10-16(12-6-2-1-5-11(12)14)19-15-8-4-3-7-13(15)17(20)21/h1-10,19H,(H,20,21)"	"LWMDDUPXLAODSE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"51707-55-2"	"DTXSID0032651"	"Thidiazuron"	"EPA_DSSTox"	"O=C(NC1=CN=NS1)NC1C=CC=CC=1"	"?"	"InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)"	"HFCYZXMHUIHAQI-UHFFFAOYSA-N"	FALSE	TRUE	5350	4	5
"51762-05-1"	"DTXSID1022768"	"Cefroxadine"	"EPA_DSSTox"	"COC1CSC2C(NC(=O)C(N)C3CC=CCC=3)C(=O)N2C=1C(O)=O"	"?"	"InChI=1S/C16H19N3O5S/c1-24-9-7-25-15-11(14(21)19(15)12(9)16(22)23)18-13(20)10(17)8-5-3-2-4-6-8/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)"	"RDMOROXKXONCAL-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"51762-67-5"	"DTXSID5073531"	"1,2-Benzenedicarbonitrile, 3-nitro-"	"EPA_DSSTox"	"N#CC1C(=CC=CC=1C#N)[N+]([O-])=O"	"?"	"InChI=1S/C8H3N3O2/c9-4-6-2-1-3-8(11(12)13)7(6)5-10/h1-3H"	"UZJZIZFCQFZDHP-UHFFFAOYSA-N"	FALSE	FALSE	1414	3	4
"51773-92-3"	"DTXSID1047819"	"Mefloquine hydrochloride"	"EPA_DSSTox"	"OC(C1CCCCN1)C1C=C(N=C2C(=CC=CC2=1)C(F)(F)F)C(F)(F)F"	"Cl"	"InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2"	"XEEQGYMUWCZPDN-UHFFFAOYSA-N"	FALSE	FALSE	880	3	4
"5178-56-3"	NA	NA	"Public_CrossChecked"	"NC1C=C2CC3=CC(N)=CC=C3C2=CC=1"	"?"	"InChI=1S/C13H12N2/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-4,6-7H,5,14-15H2"	"SNCJAJRILVFXAE-UHFFFAOYSA-N"	FALSE	FALSE	1070	3	4
"51781-21-6"	"DTXSID4045478"	"Carteolol hydrochloride"	"EPA_DSSTox"	"CC(C)(C)NCC(O)COC1=CC=CC2NC(=O)CCC=21"	"Cl"	"InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)"	"LWAFSWPYPHEXKX-UHFFFAOYSA-N"	FALSE	FALSE	1330	3	4
"518-20-7"	NA	NA	"Public_CrossChecked"	"COC1(C)CC(c2c(=O)oc3ccccc3c2O1)C1C=CC=CC=1"	"?"	"InChI=1S/C20H18O4/c1-20(22-2)12-15(13-8-4-3-5-9-13)17-18(24-20)14-10-6-7-11-16(14)23-19(17)21/h3-11,15H,12H2,1-2H3"	"ZGFASEKBKWVCGP-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"518-47-8"	"DTXSID9025328"	"Fluorescein sodium"	"EPA_DSSTox"	"OC1C=C2OC3=CC(O)=CC=C3C3(OC(=O)C4C=CC=CC3=4)C2=CC=1"	"[Na+].[Na+]"	"InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,21-22H"	"GNBHRKFJIUUOQI-UHFFFAOYSA-N"	FALSE	TRUE	6721	4	5
"518-63-8"	"DTXSID30199734"	"Dimethoxanate hydrochloride"	"EPA_DSSTox"	"CN(C)CCOCCOC(=O)N1C2C=CC=CC=2SC2C=CC=CC1=2"	"Cl"	"InChI=1S/C19H22N2O3S/c1-20(2)11-12-23-13-14-24-19(22)21-15-7-3-5-9-17(15)25-18-10-6-4-8-16(18)21/h3-10H,11-14H2,1-2H3"	"OOVJCSPCMCAXEX-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"51803-78-2"	"DTXSID3037250"	"Nimesulide"	"EPA_DSSTox"	"CS(=O)(=O)NC1C=CC(=CC=1OC1C=CC=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3"	"HYWYRSMBCFDLJT-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"5185-97-7"	"DTXSID30199810"	"2-Pentanone, 5-(acetyloxy)- (9CI)"	"EPA_DSSTox"	"CC(=O)CCCOC(C)=O"	"?"	"InChI=1S/C7H12O3/c1-6(8)4-3-5-10-7(2)9/h3-5H2,1-2H3"	"QYAHGDMPUORRQD-UHFFFAOYSA-N"	FALSE	TRUE	6080	4	5
"51861-34-8"	"DTXSID5073533"	"S-Benzyl dibutylthicarbamate"	"EPA_DSSTox"	"CCCCN(CCCC)C(=O)SCC1C=CC=CC=1"	"?"	"InChI=1S/C16H25NOS/c1-3-5-12-17(13-6-4-2)16(18)19-14-15-10-8-7-9-11-15/h7-11H,3-6,12-14H2,1-2H3"	"LBMGTDVXBJTJHB-UHFFFAOYSA-N"	FALSE	TRUE	5600	4	5
"5187-23-5"	"DTXSID0044949"	"(5-Ethyl-1,3-dioxan-5-yl)methanol"	"EPA_DSSTox"	"CCC1(CO)COCOC1"	"?"	"InChI=1S/C7H14O3/c1-2-7(3-8)4-9-6-10-5-7/h8H,2-6H2,1H3"	"BGFBWRWYROQISE-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"5188-07-8"	"DTXSID7027592"	"Sodium thiomethoxide"	"EPA_DSSTox"	"CS"	"[Na+]"	"InChI=1S/CH4S/c1-2/h2H,1H3"	"LSDPWZHWYPCBBB-UHFFFAOYSA-N"	FALSE	FALSE	116	2	3
"51893-82-4"	NA	NA	"Public_CrossChecked"	"COCNC(=O)CSP(=O)(NC(C)C)OCC"	"?"	"InChI=1S/C9H21N2O4PS/c1-5-15-16(13,11-8(2)3)17-6-9(12)10-7-14-4/h8H,5-7H2,1-4H3,(H,10,12)(H,11,13)"	"LKVXWNVCAUSJKF-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"519-37-9"	"DTXSID5023031"	"Etofylline"	"EPA_DSSTox"	"CN1C(=O)C2=C(N=CN2CCO)N(C)C1=O"	"?"	"InChI=1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3"	"NWPRCRWQMGIBOT-UHFFFAOYSA-N"	FALSE	FALSE	710	3	4
"51940-44-4"	"DTXSID3023479"	"Pipemidic acid"	"EPA_DSSTox"	"CCN1C=C(C(O)=O)C(=O)C2C=NC(=NC1=2)N1CCNCC1"	"?"	"InChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22)"	"JOHZPMXAZQZXHR-UHFFFAOYSA-N"	FALSE	TRUE	16000	4	5
"51944-41-3"	"DTXSID80199921"	"Isocyanic acid, 4-(p-isocyanatobenzyl)-m-phenylene ester"	"EPA_DSSTox"	"O=C=NC1=CC(N=C=O)=C(CC2C=CC(=CC=2)N=C=O)C=C1"	"?"	"InChI=1S/C16H9N3O3/c20-9-17-14-4-1-12(2-5-14)7-13-3-6-15(18-10-21)8-16(13)19-11-22/h1-6,8H,7H2"	"ZXWVOQDKFAZLFW-UHFFFAOYSA-N"	FALSE	TRUE	20000	4	5
"51959-14-9"	"DTXSID6068692"	"1-Butanamine, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-"	"EPA_DSSTox"	"CC(C)(CC)C1C=C(C=CC=1OCCCCN)C(C)(C)CC"	"?"	"InChI=1S/C20H35NO/c1-7-19(3,4)16-11-12-18(22-14-10-9-13-21)17(15-16)20(5,6)8-2/h11-12,15H,7-10,13-14,21H2,1-6H3"	"OZYOAOYHMMDTNZ-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"51981-21-6"	"DTXSID2052158"	"Tetrasodium N,N-Bis(carboxymethyl)-L-glutamate"	"EPA_DSSTox"	"OC(=O)CCC(C(O)=O)N(CC(O)=O)CC(O)=O"	"[Na+].[Na+].[Na+].[Na+]"	"InChI=1S/C9H13NO8/c11-6(12)2-1-5(9(17)18)10(3-7(13)14)4-8(15)16/h5H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)"	"VCVKIIDXVWEWSZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"52-24-4"	"DTXSID0021339"	"Thiotepa"	"EPA_DSSTox"	"S=P(N1CC1)(N1CC1)N1CC1"	"?"	"InChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2"	"FOCVUCIESVLUNU-UHFFFAOYSA-N"	TRUE	FALSE	23	1	2
"52-26-6"	"DTXSID10110023"	"(-)-Morphine hydrochloride"	"EPA_DSSTox"	"CN1CCC23C4OC5C2=C(CC1C3C=CC4O)C=CC=5O"	"Cl"	"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"	FALSE	FALSE	335	2	4
"52-28-8"	"DTXSID0024844"	"Codeine phosphate"	"EPA_DSSTox"	"COC1C=CC2CC3C4C=CC(O)C5OC=1C=2C45CCN3C"	"P(O)(=O)(O)O"	"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"	FALSE	FALSE	85	2	3
"52-46-0"	"DTXSID7073149"	"1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexakis(1-aziridinyl)-2,2,4,4,6,6-hexahydro-"	"EPA_DSSTox"	"C1CN1P1(N=P(N=P(N=1)(N1CC1)N1CC1)(N1CC1)N1CC1)N1CC1"	"?"	"InChI=1S/C12H24N9P3/c1-2-16(1)22(17-3-4-17)13-23(18-5-6-18,19-7-8-19)15-24(14-22,20-9-10-20)21-11-12-21/h1-12H2"	"PXZAWHSJYIECNQ-UHFFFAOYSA-N"	FALSE	FALSE	98	2	3
"52-49-3"	"DTXSID8045802"	"Trihexyphenidyl hydrochloride"	"EPA_DSSTox"	"OC(CCN1CCCCC1)(C1CCCCC1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2"	"HWHLPVGTWGOCJO-UHFFFAOYSA-N"	FALSE	FALSE	1630	3	4
"52-52-8"	"DTXSID5024475"	"1-Aminocyclopentanecarboxylic acid"	"EPA_DSSTox"	"NC1(CCCC1)C(O)=O"	"?"	"InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)"	"NILQLFBWTXNUOE-UHFFFAOYSA-N"	FALSE	FALSE	290	2	3
"52-53-9"	"DTXSID9041152"	"Verapamil"	"EPA_DSSTox"	"CC(C)C(CCCN(C)CCC1C=CC(OC)=C(C=1)OC)(C#N)C1=CC(OC)=C(C=C1)OC"	"?"	"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"	FALSE	FALSE	163	2	3
"52-60-8"	"DTXSID3075335"	"Phosphorothioic acid, O-[3,5-dimethyl-4-(methylthio)phenyl] O,O-diethyl ester"	"EPA_DSSTox"	"CC1C=C(C=C(C)C=1SC)OP(=S)(OCC)OCC"	"?"	"InChI=1S/C13H21O3PS2/c1-6-14-17(18,15-7-2)16-12-8-10(3)13(19-5)11(4)9-12/h8-9H,6-7H2,1-5H3"	"RYYJMLJORHNGST-UHFFFAOYSA-N"	FALSE	FALSE	375	2	4
"52-66-4"	"DTXSID7044687"	"DL-Penicillamine"	"EPA_DSSTox"	"CC(C)(S)C(N)C(O)=O"	"?"	"InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)"	"VVNCNSJFMMFHPL-UHFFFAOYSA-N"	FALSE	FALSE	365	2	4
"52-67-5"	"DTXSID6037069"	"D-Penicillamine"	"EPA_DSSTox"	"CC(C)(S)C(N)C(O)=O"	"?"	"InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)"	"VVNCNSJFMMFHPL-UHFFFAOYSA-N"	FALSE	TRUE	6170	4	5
"52-68-6"	"DTXSID0021389"	"Trichlorfon"	"EPA_DSSTox"	"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"	FALSE	FALSE	154.5	2	3
"52-85-7"	"DTXSID7041966"	"Famphur"	"EPA_DSSTox"	"CN(C)S(=O)(=O)C1C=CC(=CC=1)OP(=S)(OC)OC"	"?"	"InChI=1S/C10H16NO5PS2/c1-11(2)19(12,13)10-7-5-9(6-8-10)16-17(18,14-3)15-4/h5-8H,1-4H3"	"JISACBWYRJHSMG-UHFFFAOYSA-N"	TRUE	FALSE	28	1	2
"52-86-8"	"DTXSID4034150"	"Haloperidol"	"EPA_DSSTox"	"OC1(CCN(CCCC(=O)C2C=CC(F)=CC=2)CC1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2"	"LNEPOXFFQSENCJ-UHFFFAOYSA-N"	FALSE	FALSE	128	2	3
"52-90-4"	"DTXSID8022876"	"L-Cysteine"	"EPA_DSSTox"	"NC(CS)C(O)=O"	"?"	"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)"	"XUJNEKJLAYXESH-UHFFFAOYSA-N"	FALSE	FALSE	1890	3	4
"520-09-2"	"DTXSID50199958"	"Dopan"	"EPA_DSSTox"	"CC1NC(=O)NC(=O)C=1N(CCCl)CCCl"	"?"	"InChI=1S/C9H13Cl2N3O2/c1-6-7(8(15)13-9(16)12-6)14(4-2-10)5-3-11/h2-5H2,1H3,(H2,12,13,15,16)"	"SDTHIDMOBRXVOQ-UHFFFAOYSA-N"	TRUE	FALSE	2.4	1	1
"52010-22-7"	"DTXSID40199982"	"1(3H)-Isobenzofuranone, 4-chloro-"	"EPA_DSSTox"	"O=C1OCC2=C(Cl)C=CC=C21"	"?"	"InChI=1S/C8H5ClO2/c9-7-3-1-2-5-6(7)4-11-8(5)10/h1-3H,4H2"	"PLBDNGRGWFOSCH-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"52030-05-4"	NA	NA	"Public_CrossChecked"	"CC(NC(=O)CC)C(CCC)CCC"	"?"	"InChI=1S/C12H25NO/c1-5-8-11(9-6-2)10(4)13-12(14)7-3/h10-11H,5-9H2,1-4H3,(H,13,14)"	"PVWKAVAGRAOIDO-UHFFFAOYSA-N"	FALSE	FALSE	700	3	4
"5205-11-8"	"DTXSID8047131"	"3-Methyl-2-butenyl benzoate"	"EPA_DSSTox"	"CC(C)=CCOC(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C12H14O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3"	"INVWRXWYYVMFQC-UHFFFAOYSA-N"	FALSE	TRUE	4700	3	5
"52053-74-4"	"DTXSID30200016"	"K 8409"	"EPA_DSSTox"	"CCN(C)C1=CC(=O)C2C(=CC=C3C=CC=CC3=2)O1"	"?"	"InChI=1S/C16H15NO2/c1-3-17(2)15-10-13(18)16-12-7-5-4-6-11(12)8-9-14(16)19-15/h4-10H,3H2,1-2H3"	"LCXWECVLOZERBH-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"52079-23-9"	"DTXSID90326822"	"(S)-3-Hydroxydihydrofuran-2(3H)-one"	"EPA_DSSTox"	"OC1CCOC1=O"	"?"	"InChI=1S/C4H6O3/c5-3-1-2-7-4(3)6/h3,5H,1-2H2"	"FWIBCWKHNZBDLS-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"52093-21-7"	NA	NA	"Public_CrossChecked"	"CNC1C(O)C(OC2C(O)C(OC3OC(CNC)CCC3N)C(N)CC2N)OCC1(C)O"	"?"	"InChI=1S/C20H41N5O7/c1-20(28)8-29-19(14(27)17(20)25-3)32-16-12(23)6-11(22)15(13(16)26)31-18-10(21)5-4-9(30-18)7-24-2/h9-19,24-28H,4-8,21-23H2,1-3H3"	"DNYGXMICFMACRA-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"521-11-9"	"DTXSID0048973"	"Mestanolone"	"EPA_DSSTox"	"CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2(C)O"	"?"	"InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13,15-17,22H,4-12H2,1-3H3"	"WYZDXEKUWRCKOB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"521-78-8"	"DTXSID2045315"	"Trimipramine maleate"	"EPA_DSSTox"	"CN(C)CC(C)CN1C2C=CC=CC=2CCC2C=CC=CC1=2"	"C(/C=C\C(=O)O)(=O)O"	"InChI=1S/C20H26N2/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22/h4-11,16H,12-15H2,1-3H3"	"ZSCDBOWYZJWBIY-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"52102-44-0"	"DTXSID90200113"	"Urea, 1-(p-chlorobenzenesulfonyl)-3-isobutyl-"	"EPA_DSSTox"	"CC(C)CNC(=O)NS(=O)(=O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C11H15ClN2O3S/c1-8(2)7-13-11(15)14-18(16,17)10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3,(H2,13,14,15)"	"IAJQAKIQKOGHKR-UHFFFAOYSA-N"	FALSE	FALSE	1100	3	4
"52112-68-2"	"DTXSID60200125"	"Benzoxazole, 2-amino-6-chloro-"	"EPA_DSSTox"	"NC1=NC2C=CC(Cl)=CC=2O1"	"?"	"InChI=1S/C7H5ClN2O/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)"	"QDMXVLGVKMTTIT-UHFFFAOYSA-N"	FALSE	FALSE	226	2	3
"5212-99-7"	"DTXSID10200130"	"3-Biphenylcarboxanilide, 3'',4'',5-trichloro-2-hydroxy-"	"EPA_DSSTox"	"OC1C(=CC(Cl)=CC=1C1C=CC=CC=1)C(=O)NC1=CC(Cl)=C(Cl)C=C1"	"?"	"InChI=1S/C19H12Cl3NO2/c20-12-8-14(11-4-2-1-3-5-11)18(24)15(9-12)19(25)23-13-6-7-16(21)17(22)10-13/h1-10,24H,(H,23,25)"	"XTQLFZDSLTWTPM-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"521284-22-0"	NA	NA	"Public_CrossChecked"	"NC1=CC=C(CCNCC(O)C2C=CC=CC=2)C=C1"	"Cl"	"InChI=1S/C16H20N2O/c17-15-8-6-13(7-9-15)10-11-18-12-16(19)14-4-2-1-3-5-14/h1-9,16,18-19H,10-12,17H2"	"TUAHDMSPHZSMQN-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"52137-03-8"	NA	NA	"Public_CrossChecked"	"OCCOCCCl"	"?"	"InChI=1S/C4H9ClO2/c5-1-3-7-4-2-6/h6H,1-4H2"	"LECMBPWEOVZHKN-UHFFFAOYSA-N"	FALSE	FALSE	1070	3	4
"5216-25-1"	"DTXSID2027593"	"4-Chlorobenzotrichloride"	"EPA_DSSTox"	"ClC1C=CC(=CC=1)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C7H4Cl4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H"	"LVZPKYYPPLUECL-UHFFFAOYSA-N"	FALSE	FALSE	581	3	4
"522-40-7"	"DTXSID3046906"	"Diethylstilbestrol diphosphate"	"EPA_DSSTox"	"CCC(C1C=CC(=CC=1)OP(O)(O)=O)=C(CC)C1C=CC(=CC=1)OP(O)(O)=O"	"?"	"InChI=1S/C18H22O8P2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24)"	"NLORYLAYLIXTID-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"522-48-5"	"DTXSID7045316"	"Tetrahydrozoline hydrochloride"	"EPA_DSSTox"	"C1CCC(C2C=CC=CC=21)C1NCCN=1"	"Cl"	"InChI=1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)"	"BYJAVTDNIXVSPW-UHFFFAOYSA-N"	FALSE	FALSE	785	3	4
"52205-73-9"	"DTXSID2048953"	"Estramustine phosphate sodium"	"EPA_DSSTox"	"CC12CCC3C(CCC4C=C(C=CC=43)OC(=O)N(CCCl)CCCl)C1CCC2OP(O)(O)=O"	"[Na+].[Na+]"	"InChI=1S/C23H32Cl2NO6P/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30)"	"ADFOJJHRTBFFOF-UHFFFAOYSA-N"	FALSE	TRUE	5400	4	5
"52207-87-1"	"DTXSID50200255"	"3(2H)-Pyridazinone, 4-((3-(dimethylamino)propyl)amino)-6-ethoxy-2-phenyl-, monohydrochloride"	"EPA_DSSTox"	"CN(C)CCCNC1=CC(=NN(C1=O)C1C=CC=CC=1)OCC"	"Cl"	"InChI=1S/C17H24N4O2/c1-4-23-16-13-15(18-11-8-12-20(2)3)17(22)21(19-16)14-9-6-5-7-10-14/h5-7,9-10,13,18H,4,8,11-12H2,1-3H3"	"NPLXVIHYCRBJMB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"5221-42-1"	"DTXSID30200258"	"Acetamide, N-4-pyridinyl- (9CI)"	"EPA_DSSTox"	"CC(=O)NC1C=CN=CC=1"	"?"	"InChI=1S/C7H8N2O/c1-6(10)9-7-2-4-8-5-3-7/h2-5H,1H3,(H,8,9,10)"	"BIJAWQUBRNHZGE-UHFFFAOYSA-N"	FALSE	FALSE	446	2	4
"5221-49-8"	"DTXSID3058117"	"Pyrimitate"	"EPA_DSSTox"	"CC1C=C(N=C(N=1)N(C)C)OP(=S)(OCC)OCC"	"?"	"InChI=1S/C11H20N3O3PS/c1-6-15-18(19,16-7-2)17-10-8-9(3)12-11(13-10)14(4)5/h8H,6-7H2,1-5H3"	"MLDVVJZNWASRQL-UHFFFAOYSA-N"	FALSE	FALSE	125	2	3
"52217-47-7"	"DTXSID20200267"	"Urea, 1-acetyl-3-ethylnitroso-"	"EPA_DSSTox"	"CC(=O)NC(=O)N(CC)N=O"	"?"	"InChI=1S/C5H9N3O3/c1-3-8(7-11)5(10)6-4(2)9/h3H2,1-2H3,(H,6,9,10)"	"POAPJNZDGNPIOM-UHFFFAOYSA-N"	FALSE	FALSE	550	3	4
"5223-06-3"	"DTXSID10200276"	"5-Ethyl-2-pyridineethanol"	"EPA_DSSTox"	"CCC1C=CC(CCO)=NC=1"	"?"	"InChI=1S/C9H13NO/c1-2-8-3-4-9(5-6-11)10-7-8/h3-4,7,11H,2,5-6H2,1H3"	"OUJMXIPHUCDRAS-UHFFFAOYSA-N"	FALSE	TRUE	4290	3	5
"52237-03-3"	NA	NA	"Public_CrossChecked"	"OS(=O)(=O)C1C=C(C=CC=1C=CC1C=CC(=CC=1S(O)(=O)=O)N1N=C(C=N1)C1C=CC=CC=1)N1N=C(C=N1)C1C=CC=CC=1"	"?"	"InChI=1S/C30H22N6O6S2/c37-43(38,39)29-17-25(35-31-19-27(33-35)21-7-3-1-4-8-21)15-13-23(29)11-12-24-14-16-26(18-30(24)44(40,41)42)36-32-20-28(34-36)22-9-5-2-6-10-22/h1-20H,(H,37,38,39)(H,40,41,42)"	"UXEKKQRJIGKQNP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"52238-92-3"	"DTXSID7052159"	"Pigment Red 242"	"EPA_DSSTox"	"OC1=C(N=NC2=CC(=CC=C2Cl)C(F)(F)F)C2C=CC=CC=2C=C1C(=O)NC1C=C(Cl)C(=CC=1Cl)NC(=O)C1=CC2=CC=CC=C2C(N=NC2=CC(=CC=C2Cl)C(F)(F)F)=C1O"	"?"	"InChI=1S/C42H22Cl4F6N6O4/c43-27-11-9-21(41(47,48)49)15-33(27)55-57-35-23-7-3-1-5-19(23)13-25(37(35)59)39(61)53-31-17-30(46)32(18-29(31)45)54-40(62)26-14-20-6-2-4-8-24(20)36(38(26)60)58-56-34-16-22(42(50,51)52)10-12-28(34)44/h1-18,59-60H,(H,53,61)(H,54,62)"	"GEVPMCITMSGJKL-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"523-50-2"	"DTXSID00200321"	"Isopsoralen"	"EPA_DSSTox"	"O=C1C=CC2=CC=C3OC=CC3=C2O1"	"?"	"InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H"	"XDROKJSWHURZGO-UHFFFAOYSA-N"	FALSE	FALSE	322	2	4
"523-86-4"	NA	NA	"Public_CrossChecked"	"CC1CC(C)(O)CC(C(O)CC2CC(=O)NC(=O)C2)C1=O"	"?"	"InChI=1S/C15H23NO5/c1-8-6-15(2,21)7-10(14(8)20)11(17)3-9-4-12(18)16-13(19)5-9/h8-11,17,21H,3-7H2,1-2H3,(H,16,18,19)"	"NFDQYBUVHVRNNY-UHFFFAOYSA-N"	TRUE	FALSE	3	1	1
"52316-55-9"	"DTXSID1032698"	"Lignasan BLP"	"EPA_DSSTox"	"COC(=O)NC1NC2C=CC=CC=2N=1"	"P(=O)(O)(O)O"	"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"	FALSE	TRUE	7500	4	5
"5234-68-4"	"DTXSID0023951"	"Carboxin"	"EPA_DSSTox"	"CC1OCCSC=1C(=O)NC1C=CC=CC=1"	"?"	"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"	FALSE	FALSE	430	2	4
"52364-71-3"	"DTXSID9068746"	"[1,1'-Biphenyl]-4-carbonitrile, 4'-(pentyloxy)-"	"EPA_DSSTox"	"CCCCCOC1C=CC(=CC=1)C1C=CC(=CC=1)C#N"	"?"	"InChI=1S/C18H19NO/c1-2-3-4-13-20-18-11-9-17(10-12-18)16-7-5-15(14-19)6-8-16/h5-12H,2-4,13H2,1H3"	"RDISTOCQRJJICR-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"52364-72-4"	"DTXSID4068747"	"[1,1'-Biphenyl]-4-carbonitrile, 4'-(heptyloxy)-"	"EPA_DSSTox"	"CCCCCCCOC1C=CC(=CC=1)C1C=CC(=CC=1)C#N"	"?"	"InChI=1S/C20H23NO/c1-2-3-4-5-6-15-22-20-13-11-19(12-14-20)18-9-7-17(16-21)8-10-18/h7-14H,2-6,15H2,1H3"	"JPBFKTCKZLMJED-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"524-36-7"	"DTXSID6045088"	"Pyridoxamine dihydrochloride"	"EPA_DSSTox"	"CC1=NC=C(CO)C(CN)=C1O"	"Cl.Cl"	"InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3"	"NHZMQXZHNVQTQA-UHFFFAOYSA-N"	FALSE	TRUE	7500	4	5
"52406-01-6"	"DTXSID0073534"	"Phosphoramidic acid, [[[2-[[[[(4-methylphenyl)sulfonyl]amino]carbonyl]amino]phenyl]amino]thioxomethyl]-, diethyl ester"	"EPA_DSSTox"	"CC1C=CC(=CC=1)S(=O)(=O)NC(=O)NC1=CC=CC=C1NC(=S)NP(=O)(OCC)OCC"	"?"	"InChI=1S/C19H25N4O6PS2/c1-4-28-30(25,29-5-2)22-19(31)21-17-9-7-6-8-16(17)20-18(24)23-32(26,27)15-12-10-14(3)11-13-15/h6-13H,4-5H2,1-3H3,(H2,20,23,24)(H2,21,22,25,31)"	"NDXFLHPUUKVXLQ-UHFFFAOYSA-N"	FALSE	FALSE	127	2	3
"52408-42-1"	NA	NA	"Public_CrossChecked"	"C=CC(=O)OCC(O)COCCCCOCC(O)COC(=O)C=C"	"?"	"InChI=1S/C16H26O8/c1-3-15(19)23-11-13(17)9-21-7-5-6-8-22-10-14(18)12-24-16(20)4-2/h3-4,13-14,17-18H,1-2,5-12H2"	"QIPOUSKNIMYTRA-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"52447-11-7"	"DTXSID00200447"	"Benzenemethanol, 4-hydroxy-alpha-(1-((2-(4-hydroxyphenyl)ethyl)amino)ethyl)-, hydrochloride, (R*,S*)-(+-)-"	"EPA_DSSTox"	"CC(NCCC1C=CC(O)=CC=1)C(O)C1C=CC(O)=CC=1"	"Cl"	"InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3"	"IOVGROKTTNBUGK-UHFFFAOYSA-N"	FALSE	FALSE	1840	3	4
"52465-42-6"	"DTXSID70200459"	"2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-nitro-5-phenyl-1-(2-propynyl)-"	"EPA_DSSTox"	"C#CCN1C2C=CC(=CC=2C(=NCC1=O)C1C=CC=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C18H13N3O3/c1-2-10-20-16-9-8-14(21(23)24)11-15(16)18(19-12-17(20)22)13-6-4-3-5-7-13/h1,3-9,11H,10,12H2"	"CPRXMYGXMWGHJX-UHFFFAOYSA-N"	FALSE	FALSE	876	3	4
"52479-85-3"	"DTXSID9044950"	"Exifone"	"EPA_DSSTox"	"OC1C=CC(C(=O)C2C=C(O)C(O)=C(O)C=2)=C(O)C=1O"	"?"	"InChI=1S/C13H10O7/c14-7-2-1-6(11(18)13(7)20)10(17)5-3-8(15)12(19)9(16)4-5/h1-4,14-16,18-20H"	"XEDWWPGWIXPVRQ-UHFFFAOYSA-N"	FALSE	FALSE	1425	3	4
"5248-39-5"	"DTXSID3073345"	"1,3,5-Triazin-2-amine, 4-methoxy-N,6-dimethyl-"	"EPA_DSSTox"	"CC1N=C(NC)N=C(N=1)OC"	"?"	"InChI=1S/C6H10N4O/c1-4-8-5(7-2)10-6(9-4)11-3/h1-3H3,(H,7,8,9,10)"	"MNDSUSQBIDHEJU-UHFFFAOYSA-N"	FALSE	FALSE	394	2	4
"525-26-8"	"DTXSID20200500"	"Cloperidone hydrochloride"	"EPA_DSSTox"	"O=C1C2C=CC=CC=2NC(=O)N1CCCN1CCN(CC1)C1C=C(Cl)C=CC=1"	"Cl"	"InChI=1S/C21H23ClN4O2/c22-16-5-3-6-17(15-16)25-13-11-24(12-14-25)9-4-10-26-20(27)18-7-1-2-8-19(18)23-21(26)28/h1-3,5-8,15H,4,9-14H2,(H,23,28)"	"FXZJKVODWNYPKK-UHFFFAOYSA-N"	FALSE	TRUE	7650	4	5
"525-66-6"	"DTXSID6023525"	"Propranolol"	"EPA_DSSTox"	"CC(C)NCC(O)COC1=CC=CC2C=CC=CC1=2"	"?"	"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"	FALSE	FALSE	660	3	4
"525-79-1"	"DTXSID9035175"	"Kinetin"	"EPA_DSSTox"	"C(NC1NC=NC2=NC=NC2=1)C1=CC=CO1"	"?"	"InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)"	"QANMHLXAZMSUEX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"52508-35-7"	"DTXSID2034540"	"Dikegulac sodium"	"EPA_DSSTox"	"CC1(C)OC2C3OC(C)(C)OCC3OC2(O1)C(O)=O"	"[Na+]"	"InChI=1S/C12H18O7/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8/h6-8H,5H2,1-4H3,(H,13,14)"	"FWCBATIDXGJRMF-UHFFFAOYSA-N"	FALSE	TRUE	18000	4	5
"5254-41-1"	"DTXSID9063742"	"2-Naphthalenecarboxamide, N-[2-[2-(acetylamino)phenyl]ethyl]-1-hydroxy-"	"EPA_DSSTox"	"CC(=O)NC1C=CC=CC=1CCNC(=O)C1=CC=C2C=CC=CC2=C1O"	"?"	"InChI=1S/C21H20N2O3/c1-14(24)23-19-9-5-3-7-16(19)12-13-22-21(26)18-11-10-15-6-2-4-8-17(15)20(18)25/h2-11,25H,12-13H2,1H3,(H,22,26)(H,23,24)"	"HNLJTZUJURZMTN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"52549-17-4"	"DTXSID1023497"	"Pranoprofen"	"EPA_DSSTox"	"CC(C(O)=O)C1=CC2CC3=CC=CN=C3OC=2C=C1"	"?"	"InChI=1S/C15H13NO3/c1-9(15(17)18)10-4-5-13-12(7-10)8-11-3-2-6-16-14(11)19-13/h2-7,9H,8H2,1H3,(H,17,18)"	"TVQZAMVBTVNYLA-UHFFFAOYSA-N"	FALSE	FALSE	59.5	2	3
"5255-75-4"	"DTXSID60863512"	"Oxirane, 2-[(4-nitrophenoxy)methyl]-"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC(=CC=1)OCC1CO1"	"?"	"InChI=1S/C9H9NO4/c11-10(12)7-1-3-8(4-2-7)13-5-9-6-14-9/h1-4,9H,5-6H2"	"FPIGOBKNDYAZTP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"52570-16-8"	"DTXSID8058118"	"Naproanilide"	"EPA_DSSTox"	"CC(OC1C=C2C=CC=CC2=CC=1)/C(/O)=N/C1C=CC=CC=1"	"?"	"InChI=1S/C19H17NO2/c1-14(19(21)20-17-9-3-2-4-10-17)22-18-12-11-15-7-5-6-8-16(15)13-18/h2-14H,1H3,(H,20,21)"	"LVKTWOXHRYGDMM-UHFFFAOYSA-N"	FALSE	TRUE	15000	4	5
"5259-88-1"	"DTXSID8034792"	"Oxycarboxin"	"EPA_DSSTox"	"CC1OCCS(=O)(=O)C=1C(=O)NC1C=CC=CC=1"	"?"	"InChI=1S/C12H13NO4S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)"	"AMEKQAFGQBKLKX-UHFFFAOYSA-N"	FALSE	FALSE	1632	3	4
"526-98-7"	NA	NA	"Public_CrossChecked"	"OC(=O)C(O)C(=O)C(O)C(O)CO"	"?"	"InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,5,7-9,11H,1H2,(H,12,13)"	"WTAHRPBPWHCMHW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"52603-48-2"	NA	NA	"Public_CrossChecked"	"CC1=C(C#N)SC(N)=C1C#N"	"?"	"InChI=1S/C7H5N3S/c1-4-5(2-8)7(10)11-6(4)3-9/h10H2,1H3"	"GCSCENSWKWQJQG-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"52628-03-2"	NA	NA	"Public_CrossChecked"	"CC(=C)C(=O)OCCO"	"OP(=O)(O)O"	"InChI=1S/C6H10O3/c1-5(2)6(8)9-4-3-7/h7H,1,3-4H2,2H3"	"WOBHKFSMXKNTIM-UHFFFAOYSA-N"	FALSE	TRUE	5621	4	5
"52637-01-1"	"DTXSID10200615"	"Kuscide"	"EPA_DSSTox"	"OCCOCCOC(=O)CCl"	"?"	"InChI=1S/C6H11ClO4/c7-5-6(9)11-4-3-10-2-1-8/h8H,1-5H2"	"CAWRWIWCXWVNCB-UHFFFAOYSA-N"	FALSE	FALSE	770	3	4
"5264-33-5"	"DTXSID70200616"	"Valeric acid, 5-cyano-"	"EPA_DSSTox"	"N#CCCCCC(O)=O"	"?"	"InChI=1S/C6H9NO2/c7-5-3-1-2-4-6(8)9/h1-4H2,(H,8,9)"	"SKUPALMUTWEAPI-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"52645-53-1"	"DTXSID8022292"	"Permethrin"	"EPA_DSSTox"	"CC1(C)C(C1C=C(Cl)Cl)C(=O)OCC1C=CC=C(C=1)OC1C=CC=CC=1"	"?"	"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"	FALSE	FALSE	406.5	2	4
"5266-08-0"	"DTXSID20200626"	"Phosphoric acid, bis(2-chloroethyl) 2,2-dichlorovinyl ester"	"EPA_DSSTox"	"O=P(OC=C(Cl)Cl)(OCCCl)OCCCl"	"?"	"InChI=1S/C6H9Cl4O4P/c7-1-3-12-15(11,13-4-2-8)14-5-6(9)10/h5H,1-4H2"	"CGKOTHNDLWCICY-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"52663-81-7"	NA	NA	"Public_CrossChecked"	"CC(CCC1C=CC(O)=CC=1)NCCC1=CC(O)=C(O)C=C1"	"?"	"InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3"	"JRWZLRBJNMZMFE-UHFFFAOYSA-N"	FALSE	TRUE	2296	3	5
"52671-72-4"	"DTXSID20276326"	"1,3-Dioxo-1H,3H-naphtho[1,8-cd]pyran-6,7-dicarboxylic acid"	"EPA_DSSTox"	"OC(=O)C1=CC=C2C3C1=C(C=CC=3C(=O)OC2=O)C(O)=O"	"?"	"InChI=1S/C14H6O7/c15-11(16)5-1-3-7-10-8(14(20)21-13(7)19)4-2-6(9(5)10)12(17)18/h1-4H,(H,15,16)(H,17,18)"	"YQXRNSHBINARCY-UHFFFAOYSA-N"	FALSE	TRUE	3508	3	5
"527-53-7"	"DTXSID6026119"	"1,2,3,5-Tetramethylbenzene"	"EPA_DSSTox"	"CC1C=C(C)C=C(C)C=1C"	"?"	"InChI=1S/C10H14/c1-7-5-8(2)10(4)9(3)6-7/h5-6H,1-4H3"	"BFIMMTCNYPIMRN-UHFFFAOYSA-N"	FALSE	TRUE	5157	4	5
"52709-84-9"	"DTXSID5068786"	"[1,1'-Biphenyl]-4-carbonitrile, 4'-octyl-"	"EPA_DSSTox"	"CCCCCCCCC1C=CC(=CC=1)C1C=CC(=CC=1)C#N"	"?"	"InChI=1S/C21H25N/c1-2-3-4-5-6-7-8-18-9-13-20(14-10-18)21-15-11-19(17-22)12-16-21/h9-16H,2-8H2,1H3"	"CSQPODPWWMOTIY-UHFFFAOYSA-N"	FALSE	TRUE	2200	3	5
"52709-86-1"	"DTXSID5068788"	"[1,1'-Biphenyl]-4-carbonitrile, 4'-propoxy-"	"EPA_DSSTox"	"CCCOC1C=CC(=CC=1)C1C=CC(=CC=1)C#N"	"?"	"InChI=1S/C16H15NO/c1-2-11-18-16-9-7-15(8-10-16)14-5-3-13(12-17)4-6-14/h3-10H,2,11H2,1H3"	"RZCQJZFWJZHMPK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"52736-14-8"	"DTXSID00200720"	"Phenol, 3-ethyl-, phosphate (3:1)"	"EPA_DSSTox"	"CCC1C=C(C=CC=1)OP(=O)(OC1=CC(CC)=CC=C1)OC1=CC(CC)=CC=C1"	"?"	"InChI=1S/C24H27O4P/c1-4-19-10-7-13-22(16-19)26-29(25,27-23-14-8-11-20(5-2)17-23)28-24-15-9-12-21(6-3)18-24/h7-18H,4-6H2,1-3H3"	"QZWWNNQRBSJVLL-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"52756-22-6"	"DTXSID6041977"	"Flamprop-isopropyl"	"EPA_DSSTox"	"CC(C)OC(=O)C(C)N(C1=CC(Cl)=C(F)C=C1)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C19H19ClFNO3/c1-12(2)25-19(24)13(3)22(15-9-10-17(21)16(20)11-15)18(23)14-7-5-4-6-8-14/h4-13H,1-3H3"	"IKVXBIIHQGXQRQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"52756-25-9"	"DTXSID8040353"	"Flamprop-methyl"	"EPA_DSSTox"	"COC(=O)C(C)N(C1=CC(Cl)=C(F)C=C1)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C17H15ClFNO3/c1-11(17(22)23-2)20(13-8-9-15(19)14(18)10-13)16(21)12-6-4-3-5-7-12/h3-11H,1-2H3"	"RBNIGDFIUWJJEV-UHFFFAOYSA-N"	FALSE	FALSE	1200	3	4
"52777-92-1"	"DTXSID10200756"	"Benzamide, N,N-dimethyl-3,4-methylenedioxythio-"	"EPA_DSSTox"	"CN(C)C(=S)C1=CC2OCOC=2C=C1"	"?"	"InChI=1S/C10H11NO2S/c1-11(2)10(14)7-3-4-8-9(5-7)13-6-12-8/h3-5H,6H2,1-2H3"	"AADYEFPKZQWOIT-UHFFFAOYSA-N"	FALSE	FALSE	79	2	3
"52793-11-0"	"DTXSID6068806"	"Butanamide, N-(5-chloro-2-methoxyphenyl)-3-oxo-"	"EPA_DSSTox"	"CC(=O)CC(=O)NC1=CC(Cl)=CC=C1OC"	"?"	"InChI=1S/C11H12ClNO3/c1-7(14)5-11(15)13-9-6-8(12)3-4-10(9)16-2/h3-4,6H,5H2,1-2H3,(H,13,15)"	"HSGGSKCDDPPKMD-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"528-92-7"	NA	NA	"Public_CrossChecked"	"CC(C)C(CC=C)C(=O)NC(N)=O"	"?"	"InChI=1S/C9H16N2O2/c1-4-5-7(6(2)3)8(12)11-9(10)13/h4,6-7H,1,5H2,2-3H3,(H3,10,11,12,13)"	"KSUUMAWCGDNLFK-UHFFFAOYSA-N"	FALSE	FALSE	1050	3	4
"5280-78-4"	"DTXSID3063756"	"2-Naphthalenecarboxamide, N,N'-(2-chloro-1,4-phenylene)bis[4-[(2,5-dichlorophenyl)azo]-3-hydroxy-"	"EPA_DSSTox"	"OC1C(N=NC2=CC(Cl)=CC=C2Cl)=C2C=CC=CC2=CC=1C(=O)NC1C=CC(=CC=1Cl)NC(=O)C1C=C2C=CC=CC2=C(N=NC2C=C(Cl)C=CC=2Cl)C=1O"	"?"	"InChI=1S/C40H23Cl5N6O4/c41-22-9-12-29(43)33(17-22)48-50-35-25-7-3-1-5-20(25)15-27(37(35)52)39(54)46-24-11-14-32(31(45)19-24)47-40(55)28-16-21-6-2-4-8-26(21)36(38(28)53)51-49-34-18-23(42)10-13-30(34)44/h1-19,52-53H,(H,46,54)(H,47,55)"	"IJBLMBVNVKWXHY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"5280-80-8"	"DTXSID6052166"	"C.I. Pigment Yellow 95"	"EPA_DSSTox"	"CC1C=C(NC(=O)C(N=NC2C=C(C=CC=2Cl)C(=O)NC2=CC(Cl)=CC=C2C)C(C)=O)C(C)=CC=1NC(=O)C(N=NC1=CC(=CC=C1Cl)C(=O)NC1=CC(Cl)=CC=C1C)C(C)=O"	"?"	"InChI=1S/C44H38Cl4N8O6/c1-21-7-11-29(45)19-35(21)49-41(59)27-9-13-31(47)37(17-27)53-55-39(25(5)57)43(61)51-33-15-24(4)34(16-23(33)3)52-44(62)40(26(6)58)56-54-38-18-28(10-14-32(38)48)42(60)50-36-20-30(46)12-8-22(36)2/h7-20,39-40H,1-6H3,(H,49,59)(H,50,60)(H,51,61)(H,52,62)"	"MLIPLRICHBJSFY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"5281-04-9"	"DTXSID7027594"	"D&C Red No. 7"	"EPA_DSSTox"	"CC1=CC(=C(C=C1)N=NC1=C2C=CC=CC2=CC(=C1O)C(O)=O)S(O)(=O)=O"	"[Ca+2]"	"InChI=1S/C18H14N2O6S/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23/h2-9,21H,1H3,(H,22,23)(H,24,25,26)"	"JYNBEDVXQNFTOX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"5285-41-6"	"DTXSID00200866"	"2-Benzoxazolinone, 5,6-dichloro-"	"EPA_DSSTox"	"O=C1NC2C=C(Cl)C(Cl)=CC=2O1"	"?"	"InChI=1S/C7H3Cl2NO2/c8-3-1-5-6(2-4(3)9)12-7(11)10-5/h1-2H,(H,10,11)"	"WLWRBOFZMOBYJR-UHFFFAOYSA-N"	FALSE	FALSE	700	3	4
"52868-53-8"	NA	NA	"Public_CrossChecked"	"COP(=O)(NC(=O)C(=O)OCC)SC"	"?"	"InChI=1S/C6H12NO5PS/c1-4-12-6(9)5(8)7-13(10,11-2)14-3/h4H2,1-3H3,(H,7,8,10)"	"KNGMWKJQTSWAIS-UHFFFAOYSA-N"	FALSE	FALSE	501	3	4
"52888-80-9"	"DTXSID3058119"	"Prosulfocarb"	"EPA_DSSTox"	"CCCN(CCC)C(=O)SCC1C=CC=CC=1"	"?"	"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"	FALSE	FALSE	1820	3	4
"52899-13-5"	NA	NA	"Public_CrossChecked"	"COP(=O)(OC(C1C=CC(Cl)=CC=1Cl)=C(Cl)Br)OC"	"?"	"InChI=1S/C10H9BrCl3O4P/c1-16-19(15,17-2)18-9(10(11)14)7-4-3-6(12)5-8(7)13/h3-5H,1-2H3"	"RUTNGUJZWLQGKF-UHFFFAOYSA-N"	FALSE	FALSE	107	2	3
"529-19-1"	"DTXSID6022050"	"2-Tolunitrile"	"EPA_DSSTox"	"CC1=CC=CC=C1C#N"	"?"	"InChI=1S/C8H7N/c1-7-4-2-3-5-8(7)6-9/h2-5H,1H3"	"NWPNXBQSRGKSJB-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"529-33-9"	"DTXSID7027174"	"1,2,3,4-Tetrahydronaphthalen-1-ol"	"EPA_DSSTox"	"OC1CCCC2=CC=CC=C21"	"?"	"InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7H2"	"JAAJQSRLGAYGKZ-UHFFFAOYSA-N"	FALSE	FALSE	1620	3	4
"52907-07-0"	"DTXSID6052168"	"N,N'-(Ethylene)bis[4,5-dibromohexahydro-3,6-methanophthalimide]"	"EPA_DSSTox"	"O=C1C2C(C3CC2C(Br)C3Br)C(=O)N1CCN1C(=O)C2C(C3CC2C(Br)C3Br)C1=O"	"?"	"InChI=1S/C20H20Br4N2O4/c21-13-5-3-6(14(13)22)10-9(5)17(27)25(18(10)28)1-2-26-19(29)11-7-4-8(12(11)20(26)30)16(24)15(7)23/h5-16H,1-4H2"	"WOFYQUJNULCFLN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"5292-45-5"	"DTXSID5022223"	"Dimethyl nitroterephthalate"	"EPA_DSSTox"	"COC(=O)C1=CC=C(C=C1[N+]([O-])=O)C(=O)OC"	"?"	"InChI=1S/C10H9NO6/c1-16-9(12)6-3-4-7(10(13)17-2)8(5-6)11(14)15/h3-5H,1-2H3"	"PAYWCKGMOYQZAW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"5294-61-1"	NA	NA	"Public_CrossChecked"	"CC1C=CC=C(C)C=1NC(=O)CN1CCNCC1"	"?"	"InChI=1S/C14H21N3O/c1-11-4-3-5-12(2)14(11)16-13(18)10-17-8-6-15-7-9-17/h3-5,15H,6-10H2,1-2H3,(H,16,18)"	"NJKRFQIWDJSYOK-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"52963-60-7"	NA	NA	"Public_CrossChecked"	"CCOC(C1NC(C)(C)CN=1)C1C=CC=CC=1"	"?"	"InChI=1S/C14H20N2O/c1-4-17-12(11-8-6-5-7-9-11)13-15-10-14(2,3)16-13/h5-9,12H,4,10H2,1-3H3,(H,15,16)"	"MPVRMDGCKMOVFI-UHFFFAOYSA-N"	FALSE	FALSE	510	3	4
"52963-61-8"	NA	NA	"Public_CrossChecked"	"CCOC(C1NC(C)(C)CN=1)C1=CC(Cl)=C(Cl)C=C1"	"?"	"InChI=1S/C14H18Cl2N2O/c1-4-19-12(13-17-8-14(2,3)18-13)9-5-6-10(15)11(16)7-9/h5-7,12H,4,8H2,1-3H3,(H,17,18)"	"YLZHJRVLNUGVOI-UHFFFAOYSA-N"	FALSE	FALSE	110	2	3
"53-10-1"	NA	NA	"Public_CrossChecked"	"CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2C(=O)COC(=O)CCC(O)=O"	"[Na+]"	"InChI=1S/C25H36O6/c1-24-11-9-16(26)13-15(24)3-4-17-18-5-6-20(25(18,2)12-10-19(17)24)21(27)14-31-23(30)8-7-22(28)29/h15,17-20H,3-14H2,1-2H3,(H,28,29)"	"KLRNMIUKAXHHFS-UHFFFAOYSA-N"	FALSE	FALSE	700	3	4
"53-19-0"	"DTXSID9020372"	"o,p'-DDD"	"EPA_DSSTox"	"ClC(Cl)C(C1C=CC=CC=1Cl)C1=CC=C(Cl)C=C1"	"?"	"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"	FALSE	TRUE	NA	4	5
"53-36-1"	"DTXSID7023302"	"Methylprednisolone acetate"	"EPA_DSSTox"	"CC(=O)OCC(=O)C1(O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3C(O)CC12C"	"?"	"InChI=1S/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3"	"PLBHSZGDDKCEHR-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"53-43-0"	"DTXSID4020379"	"Dehydroepiandrosterone"	"EPA_DSSTox"	"CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O"	"?"	"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3"	"FMGSKLZLMKYGDP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"53-46-3"	"DTXSID7023277"	"Methantheline bromide"	"EPA_DSSTox"	"C[N+](CCOC(=O)C1C2=CC=CC=C2OC2C=CC=CC=21)(CC)CC"	"[Br-]"	"InChI=1S/C21H26NO3/c1-4-22(3,5-2)14-15-24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20/h6-13,20H,4-5,14-15H2,1-3H3/q+1"	"GZHFODJQISUKAY-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"53-60-1"	"DTXSID4046949"	"Promazine hydrochloride"	"EPA_DSSTox"	"CN(C)CCCN1C2=CC=CC=C2SC2C=CC=CC1=2"	"Cl"	"InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3"	"ZGUGWUXLJSTTMA-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"53-86-1"	"DTXSID9020740"	"Indomethacin"	"EPA_DSSTox"	"CC1=C(CC(O)=O)C2C=C(C=CC=2N1C(=O)C1C=CC(Cl)=CC=1)OC"	"?"	"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"	TRUE	FALSE	2.42	1	1
"53-89-4"	"DTXSID90201044"	"Benzpiperylon"	"EPA_DSSTox"	"CN1CCC(CC1)N1NC(C2C=CC=CC=2)=C(CC2C=CC=CC=2)C1=O"	"?"	"InChI=1S/C22H25N3O/c1-24-14-12-19(13-15-24)25-22(26)20(16-17-8-4-2-5-9-17)21(23-25)18-10-6-3-7-11-18/h2-11,19,23H,12-16H2,1H3"	"KMGARVOVYXNAOF-UHFFFAOYSA-N"	FALSE	TRUE	2700	3	5
"530-48-3"	"DTXSID5060190"	"Benzene, 1,1'-ethenylidenebis-"	"EPA_DSSTox"	"C=C(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C14H12/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H2"	"ZMYIIHDQURVDRB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"530-78-9"	"DTXSID7023063"	"Flufenamic acid"	"EPA_DSSTox"	"OC(=O)C1C=CC=CC=1NC1=CC(=CC=C1)C(F)(F)F"	"?"	"InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)"	"LPEPZBJOKDYZAD-UHFFFAOYSA-N"	FALSE	FALSE	249	2	3
"53003-62-6"	NA	NA	"Public_CrossChecked"	"CC(C)C1=CC23CCC4C(C)(CCCC4(C)C(=O)N4CCOCC4)C2CC1C1C3C(=O)OC1=O"	"?"	"InChI=1S/C28H39NO5/c1-16(2)18-15-28-9-6-19-26(3,20(28)14-17(18)21-22(28)24(31)34-23(21)30)7-5-8-27(19,4)25(32)29-10-12-33-13-11-29/h15-17,19-22H,5-14H2,1-4H3"	"NBCUKZCBIVMKEE-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"53003-82-0"	NA	NA	"Public_CrossChecked"	"CC(C)C1=CC23CCC4C(C)(CCCC4(C)C(=O)N4CCN(CCO)CC4)C2CC1C1C3C(=O)OC1=O"	"?"	"InChI=1S/C30H44N2O5/c1-18(2)20-17-30-9-6-21-28(3,22(30)16-19(20)23-24(30)26(35)37-25(23)34)7-5-8-29(21,4)27(36)32-12-10-31(11-13-32)14-15-33/h17-19,21-24,33H,5-16H2,1-4H3"	"XJQVMDWQJUSDTN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"53036-61-6"	NA	NA	"Public_CrossChecked"	"COC1C=CC(=CC=1)C(OC1C=CC=CC=1)C1NCCCN=1"	"?"	"InChI=1S/C18H20N2O2/c1-21-15-10-8-14(9-11-15)17(18-19-12-5-13-20-18)22-16-6-3-2-4-7-16/h2-4,6-11,17H,5,12-13H2,1H3,(H,19,20)"	"MZYHYIBCEPKOOT-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"53042-79-8"	"DTXSID3032410"	"Hexadeca-7,11-dien-1-yl acetate (Z,E)-"	"EPA_DSSTox"	"CCCCC=CCCC=CCCCCCCOC(C)=O"	"?"	"InChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h6-7,10-11H,3-5,8-9,12-17H2,1-2H3"	"BXJHOKLLMOYSRQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"53061-10-2"	"DTXSID9068825"	"Ethane, 1,1'-[oxybis(methylenesulfonyl)]bis[2-chloro-"	"EPA_DSSTox"	"O=S(=O)(COCS(=O)(=O)CCCl)CCCl"	"?"	"InChI=1S/C6H12Cl2O5S2/c7-1-3-14(9,10)5-13-6-15(11,12)4-2-8/h1-6H2"	"PEPHICBDUBUZCC-UHFFFAOYSA-N"	FALSE	FALSE	168	2	3
"5307-02-8"	"DTXSID7063766"	"1,4-Benzenediamine, 2-methoxy-"	"EPA_DSSTox"	"COC1C=C(N)C=CC=1N"	"?"	"InChI=1S/C7H10N2O/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,8-9H2,1H3"	"HGUYBLVGLMAUFF-UHFFFAOYSA-N"	FALSE	FALSE	60	2	3
"5307-14-2"	"DTXSID4020957"	"2-Nitro-1,4-phenylenediamine"	"EPA_DSSTox"	"NC1=CC(=C(N)C=C1)[N+]([O-])=O"	"?"	"InChI=1S/C6H7N3O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,7-8H2"	"HVHNMNGARPCGGD-UHFFFAOYSA-N"	FALSE	FALSE	1800	3	4
"5308-25-8"	"DTXSID8073346"	"Piperazine, 1-ethyl-"	"EPA_DSSTox"	"CCN1CCNCC1"	"?"	"InChI=1S/C6H14N2/c1-2-8-5-3-7-4-6-8/h7H,2-6H2,1H3"	"WGCYRFWNGRMRJA-UHFFFAOYSA-N"	FALSE	TRUE	2158	3	5
"53083-27-5"	"DTXSID90201160"	"Dodecanoic acid, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester"	"EPA_DSSTox"	"CCCCCCCCCCCC(=O)OC1=C(C2C(C)=CC(C)=CC=2C)C(=O)C2C=CC=CC1=2"	"?"	"InChI=1S/C30H38O3/c1-5-6-7-8-9-10-11-12-13-18-26(31)33-30-25-17-15-14-16-24(25)29(32)28(30)27-22(3)19-21(2)20-23(27)4/h14-17,19-20H,5-13,18H2,1-4H3"	"XXFRLVPRIUUWHA-UHFFFAOYSA-N"	FALSE	TRUE	9500	4	5
"53083-96-8"	NA	NA	"Public_CrossChecked"	"CC1=CC=CC2=C1C(=O)C(C1C(Cl)=CC=CC=1Cl)C2=O"	"?"	"InChI=1S/C16H10Cl2O2/c1-8-4-2-5-9-12(8)16(20)14(15(9)19)13-10(17)6-3-7-11(13)18/h2-7,14H,1H3"	"DPVKPOBTYOHMLE-UHFFFAOYSA-N"	FALSE	FALSE	466	2	4
"5309-52-4"	NA	NA	"Public_CrossChecked"	"CCCC=C(CC)C(O)=O"	"?"	"InChI=1S/C8H14O2/c1-3-5-6-7(4-2)8(9)10/h6H,3-5H2,1-2H3,(H,9,10)"	"WOWYPHJOHOCYII-UHFFFAOYSA-N"	FALSE	TRUE	5660	4	5
"531-59-9"	"DTXSID5060196"	"2H-1-Benzopyran-2-one, 7-methoxy-"	"EPA_DSSTox"	"COC1=CC=C2C=CC(=O)OC2=C1"	"?"	"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3"	"LIIALPBMIOVAHH-UHFFFAOYSA-N"	FALSE	TRUE	4300	3	5
"531-76-0"	"DTXSID9031569"	"Merphalan"	"EPA_DSSTox"	"NC(CC1C=CC(=CC=1)N(CCCl)CCCl)C(O)=O"	"?"	"InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)"	"SGDBTWWWUNNDEQ-UHFFFAOYSA-N"	FALSE	FALSE	105	2	3
"531-81-7"	"DTXSID70201183"	"Coumarin-3-carboxylic acid"	"EPA_DSSTox"	"OC(=O)C1=CC2C=CC=CC=2OC1=O"	"?"	"InChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)"	"ACMLKANOGIVEPB-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"5310-55-4"	NA	NA	"Public_CrossChecked"	"CN(C)CCCC1C2=CC(Cl)=CC=C2NC2C=CC=CC=21"	"?"	"InChI=1S/C18H21ClN2/c1-21(2)11-5-7-14-15-6-3-4-8-17(15)20-18-10-9-13(19)12-16(14)18/h3-4,6,8-10,12,14,20H,5,7,11H2,1-2H3"	"JFRLWWDJCFYFSU-UHFFFAOYSA-N"	FALSE	FALSE	379	2	4
"53112-28-0"	"DTXSID8034877"	"Pyrimethanil"	"EPA_DSSTox"	"CC1C=C(C)N=C(NC2C=CC=CC=2)N=1"	"?"	"InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)"	"ZLIBICFPKPWGIZ-UHFFFAOYSA-N"	FALSE	TRUE	4149	3	5
"53152-21-9"	"DTXSID2048905"	"Buprenorphine hydrochloride"	"EPA_DSSTox"	"CC(C)(C)C(C)(O)C1CC23CCC1(OC)C1OC4C5=C(CC2N(CC2CC2)CCC351)C=CC=4O"	"Cl"	"InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3"	"RMRJXGBAOAMLHD-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"53153-66-5"	"DTXSID8068830"	"2-Nonenenitrile, 3-methyl-"	"EPA_DSSTox"	"CCCCCCC(C)=CC#N"	"?"	"InChI=1S/C10H17N/c1-3-4-5-6-7-10(2)8-9-11/h8H,3-7H2,1-2H3"	"MQAQVKBUJPAQIG-UHFFFAOYSA-N"	FALSE	FALSE	1720	3	4
"53164-05-9"	"DTXSID7022540"	"Acemetacin"	"EPA_DSSTox"	"CC1=C(CC(=O)OCC(O)=O)C2=CC(=CC=C2N1C(=O)C1C=CC(Cl)=CC=1)OC"	"?"	"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"	TRUE	FALSE	24.2	1	2
"53179-13-8"	"DTXSID4045183"	"Pirfenidone"	"EPA_DSSTox"	"CC1=CN(C(=O)C=C1)C1C=CC=CC=1"	"?"	"InChI=1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3"	"ISWRGOKTTBVCFA-UHFFFAOYSA-N"	FALSE	FALSE	1295	3	4
"532-12-7"	NA	NA	"Public_CrossChecked"	"C1CCN=C1C1C=NC=CC=1"	"?"	"InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2"	"DPNGWXJMIILTBS-UHFFFAOYSA-N"	FALSE	FALSE	1875	3	4
"532-27-4"	"DTXSID9020293"	"2-Chloroacetophenone"	"EPA_DSSTox"	"O=C(CCl)C1C=CC=CC=1"	"?"	"InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2"	"IMACFCSSMIZSPP-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"532-32-1"	"DTXSID1020140"	"Sodium benzoate"	"EPA_DSSTox"	"OC(=O)C1C=CC=CC=1"	"[Na+]"	"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)"	"WPYMKLBDIGXBTP-UHFFFAOYSA-N"	FALSE	TRUE	4070	3	5
"532-34-3"	"DTXSID2040319"	"Butopyronoxyl"	"EPA_DSSTox"	"CCCCOC(=O)C1=CC(=O)CC(C)(C)O1"	"?"	"InChI=1S/C12H18O4/c1-4-5-6-15-11(14)10-7-9(13)8-12(2,3)16-10/h7H,4-6,8H2,1-3H3"	"OKIJSNGRQAOIGZ-UHFFFAOYSA-N"	FALSE	TRUE	7400	4	5
"532-82-1"	"DTXSID0024559"	"C.I. Basic Oange 2"	"EPA_DSSTox"	"NC1C=C(N)C(=CC=1)N=NC1C=CC=CC=1"	"Cl"	"InChI=1S/C12H12N4/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10/h1-8H,13-14H2"	"IWRVPXDHSLTIOC-UHFFFAOYSA-N"	FALSE	TRUE	6670	4	5
"5320-75-2"	"DTXSID1052169"	"3-Phenylprop-2-en-1-yl benzoate"	"EPA_DSSTox"	"O=C(OCC=CC1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C16H14O2/c17-16(15-11-5-2-6-12-15)18-13-7-10-14-8-3-1-4-9-14/h1-12H,13H2"	"UARVBDPGNUHYQT-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"5321-32-4"	"DTXSID0045830"	"Hetacillin potassium"	"EPA_DSSTox"	"CC1(C)SC2C(C(=O)N2C1C(O)=O)N1C(=O)C(NC1(C)C)C1C=CC=CC=1"	"[K+]"	"InChI=1S/C19H23N3O4S/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10/h5-9,11-13,16,20H,1-4H3,(H,25,26)"	"DXVUYOAEDJXBPY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"53220-22-7"	"DTXSID8068838"	"Peroxydicarbonic acid, C,C'-ditetradecyl ester"	"EPA_DSSTox"	"CCCCCCCCCCCCCCOC(=O)OOC(=O)OCCCCCCCCCCCCCC"	"?"	"InChI=1S/C30H58O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-29(31)35-36-30(32)34-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3"	"CSKKAINPUYTTRW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"533-68-6"	"DTXSID30870591"	"Butanoic acid, 2-bromo-, ethyl ester"	"EPA_DSSTox"	"CCC(Br)C(=O)OCC"	"?"	"InChI=1S/C6H11BrO2/c1-3-5(7)6(8)9-4-2/h5H,3-4H2,1-2H3"	"XIMFCGSNSKXPBO-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"533-74-4"	"DTXSID7024902"	"Dazomet"	"EPA_DSSTox"	"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"	FALSE	FALSE	320	2	4
"53306-54-0"	"DTXSID5052173"	"Bis(2-propylheptyl) phthalate"	"EPA_DSSTox"	"CCCCCC(COC(=O)C1C=CC=CC=1C(=O)OCC(CCC)CCCCC)CCC"	"?"	"InChI=1S/C28H46O4/c1-5-9-11-17-23(15-7-3)21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-24(16-8-4)18-12-10-6-2/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3"	"MTYUOIVEVPTXFX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"5332-73-0"	"DTXSID7027596"	"3-Methoxypropylamine"	"EPA_DSSTox"	"COCCCN"	"?"	"InChI=1S/C4H11NO/c1-6-4-2-3-5/h2-5H2,1H3"	"FAXDZWQIWUSWJH-UHFFFAOYSA-N"	FALSE	FALSE	598.4	3	4
"5336-53-8"	"DTXSID50201520"	"N-Nitrosodibenzylamine"	"EPA_DSSTox"	"O=NN(CC1C=CC=CC=1)CC1C=CC=CC=1"	"?"	"InChI=1S/C14H14N2O/c17-15-16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2"	"RZJLAUZAMYYGMS-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"53370-90-4"	"DTXSID9045899"	"Exalamide"	"EPA_DSSTox"	"CCCCCCOC1C=CC=CC=1C(N)=O"	"?"	"InChI=1S/C13H19NO2/c1-2-3-4-7-10-16-12-9-6-5-8-11(12)13(14)15/h5-6,8-9H,2-4,7,10H2,1H3,(H2,14,15)"	"CKSJXOVLXUMMFF-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"53378-52-2"	"DTXSID7068847"	"Phosphorothioic acid, O,O-bis(2-methylpropyl) ester, sodium salt"	"EPA_DSSTox"	"CC(C)COP(O)(=S)OCC(C)C"	"[Na+]"	"InChI=1S/C8H19O3PS/c1-7(2)5-10-12(9,13)11-6-8(3)4/h7-8H,5-6H2,1-4H3,(H,9,13)"	"JOVBTVIBOUJCPQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"53380-22-6"	NA	NA	"Public_CrossChecked"	"CCS(=O)CC1C=CC=CC=1OC(=O)NC"	"?"	"InChI=1S/C11H15NO3S/c1-3-16(14)8-9-6-4-5-7-10(9)15-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)"	"OMOLDRXZKFFGJI-UHFFFAOYSA-N"	FALSE	FALSE	150	2	3
"53380-23-7"	NA	NA	"Public_CrossChecked"	"CCS(=O)(=O)CC1C=CC=CC=1OC(=O)NC"	"?"	"InChI=1S/C11H15NO4S/c1-3-17(14,15)8-9-6-4-5-7-10(9)16-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)"	"IOPTXXRNXCPJGO-UHFFFAOYSA-N"	FALSE	FALSE	506	3	4
"534-07-6"	"DTXSID2021577"	"1,3-Dichloropropanone"	"EPA_DSSTox"	"O=C(CCl)CCl"	"?"	"InChI=1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2"	"SUNMBRGCANLOEG-UHFFFAOYSA-N"	TRUE	FALSE	20	1	2
"534-17-8"	"DTXSID0052178"	"Dicaesium carbonate"	"EPA_DSSTox"	"OC(O)=O"	"[Cs+].[Cs+]"	"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)"	"BVKZGUZCCUSVTD-UHFFFAOYSA-N"	FALSE	TRUE	2333	3	5
"5340-36-3"	"DTXSID80884148"	"3-Octanol, 3-methyl-"	"EPA_DSSTox"	"CCCCCC(C)(O)CC"	"?"	"InChI=1S/C9H20O/c1-4-6-7-8-9(3,10)5-2/h10H,4-8H2,1-3H3"	"JEWXYDDSLPIBBO-UHFFFAOYSA-N"	FALSE	TRUE	3400	3	5
"53421-38-8"	"DTXSID30201588"	"Diethylaminoethyl diphenylhydroxypropionate hydrochloride"	"EPA_DSSTox"	"CCN(CCOC(=O)CC(O)(C1C=CC=CC=1)C1C=CC=CC=1)CC"	"Cl"	"InChI=1S/C21H27NO3/c1-3-22(4-2)15-16-25-20(23)17-21(24,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,24H,3-4,15-17H2,1-2H3"	"RKYKPUKUJOQKEX-UHFFFAOYSA-N"	FALSE	TRUE	2310	3	5
"5343-44-2"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCCCC(=O)N(CCCC)CCCC"	"?"	"InChI=1S/C20H41NO/c1-4-7-10-11-12-13-14-15-16-17-20(22)21(18-8-5-2)19-9-6-3/h4-19H2,1-3H3"	"MFARGUPPFBTESX-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"5343-92-0"	"DTXSID2041256"	"1,5-Pentanediol"	"EPA_DSSTox"	"OCCCCCO"	"?"	"InChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2"	"ALQSHHUCVQOPAS-UHFFFAOYSA-N"	FALSE	TRUE	12700	4	5
"5344-82-1"	"DTXSID4063799"	"1-(o-Chlorophenyl)thiourea"	"EPA_DSSTox"	"NC(=S)NC1C=CC=CC=1Cl"	"?"	"InChI=1S/C7H7ClN2S/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)"	"YZUKKTCDYSIWKJ-UHFFFAOYSA-N"	TRUE	FALSE	4.6	1	1
"53445-37-7"	NA	NA	"Public_CrossChecked"	"CC(CC(O)=O)CC(C)(C)C(O)=O"	"?"	"InChI=1S/C9H16O4/c1-6(4-7(10)11)5-9(2,3)8(12)13/h6H,4-5H2,1-3H3,(H,10,11)(H,12,13)"	"DWFUTNJGNBYHNN-UHFFFAOYSA-N"	FALSE	TRUE	4900	3	5
"5345-54-0"	"DTXSID00201616"	"2-Chloro-4-anisidine"	"EPA_DSSTox"	"COC1C=CC(N)=CC=1Cl"	"?"	"InChI=1S/C7H8ClNO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3"	"XQVCBOLNTSUFGD-UHFFFAOYSA-N"	FALSE	FALSE	550	3	4
"53460-80-3"	NA	NA	"Public_CrossChecked"	"CC(=O)CC1OCC(CCl)O1"	"?"	"InChI=1S/C7H11ClO3/c1-5(9)2-7-10-4-6(3-8)11-7/h6-7H,2-4H2,1H3"	"UTSVYFOQXVPABD-UHFFFAOYSA-N"	FALSE	FALSE	120	2	3
"53460-81-4"	NA	NA	"Public_CrossChecked"	"[O-][N+](=O)C1C=CC=CC=1C1OCC(CCl)O1"	"?"	"InChI=1S/C10H10ClNO4/c11-5-7-6-15-10(16-7)8-3-1-2-4-9(8)12(13)14/h1-4,7,10H,5-6H2"	"LQLVIUVTQZTSAJ-UHFFFAOYSA-N"	FALSE	FALSE	65	2	3
"53469-21-9"	"DTXSID3040223"	"Aroclor 1242"	"EPA_DSSTox"	"ClC1C=C(Cl)C=CC=1C1C=CC=C(Cl)C=1Cl"	"?"	"InChI=1S/C12H6Cl4/c13-7-4-5-8(11(15)6-7)9-2-1-3-10(14)12(9)16/h1-6H"	"ALFHIHDQSYXSGP-UHFFFAOYSA-N"	FALSE	TRUE	4250	3	5
"53471-69-5"	NA	NA	"Public_CrossChecked"	"CC(C)C1=CC23CCC4C(C)(CCCC4(C)C(=O)N4CCNCC4)C2CC1C1C3C(=O)OC1=O"	"?"	"InChI=1S/C28H40N2O4/c1-16(2)18-15-28-9-6-19-26(3,20(28)14-17(18)21-22(28)24(32)34-23(21)31)7-5-8-27(19,4)25(33)30-12-10-29-11-13-30/h15-17,19-22,29H,5-14H2,1-4H3"	"GQEDUEVRRTXNBY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"5348-97-0"	NA	NA	"Public_CrossChecked"	"CN1CCN(CC1)C(=O)N(CC)CC"	"Cl"	"InChI=1S/C10H21N3O/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13/h4-9H2,1-3H3"	"RCKMWOKWVGPNJF-UHFFFAOYSA-N"	FALSE	FALSE	1380	3	4
"53494-70-5"	"DTXSID00872845"	"Endrin ketone"	"EPA_DSSTox"	"O=C1C2C3CC1C1C3C3(Cl)C2(Cl)C(Cl)C1(Cl)C3(Cl)Cl"	"?"	"InChI=1S/C12H8Cl6O/c13-8-9(14)6-2-1-3(7(6)19)4-5(2)11(9,16)12(17,18)10(4,8)15/h2-6,8H,1H2"	"IZHZFAQWVKBTSL-UHFFFAOYSA-N"	TRUE	FALSE	10	1	2
"535-77-3"	"DTXSID2060206"	"m-Cymene"	"EPA_DSSTox"	"CC1C=C(C=CC=1)C(C)C"	"?"	"InChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3"	"XCYJPXQACVEIOS-UHFFFAOYSA-N"	FALSE	TRUE	2970	3	5
"535-83-1"	"DTXSID2026230"	"Trigonelline"	"EPA_DSSTox"	"C[N+]1C=C(C=CC=1)C(O)=O"	"?"	"InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3/p+1"	"WWNNZCOKKKDOPX-UHFFFAOYSA-O"	FALSE	TRUE	5001	4	5
"535-89-7"	"DTXSID0041800"	"Crimidine"	"EPA_DSSTox"	"CC1=CC(=NC(Cl)=N1)N(C)C"	"?"	"InChI=1S/C7H10ClN3/c1-5-4-6(11(2)3)10-7(8)9-5/h4H,1-3H3"	"HJIUPFPIEBPYIE-UHFFFAOYSA-N"	TRUE	FALSE	1.25	1	1
"5351-04-2"	"DTXSID1063807"	"Propanenitrile, 3-(diethylamino)-"	"EPA_DSSTox"	"CCN(CCC#N)CC"	"?"	"InChI=1S/C7H14N2/c1-3-9(4-2)7-5-6-8/h3-5,7H2,1-2H3"	"LFFKXGFSDGRFQA-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"53521-41-8"	"DTXSID20201739"	"Dioctylisopentylphosphine oxide"	"EPA_DSSTox"	"CC(C)CCP(=O)(CCCCCCCC)CCCCCCCC"	"?"	"InChI=1S/C21H45OP/c1-5-7-9-11-13-15-18-23(22,20-17-21(3)4)19-16-14-12-10-8-6-2/h21H,5-20H2,1-4H3"	"WFNJCSZBFYCVEJ-UHFFFAOYSA-N"	FALSE	TRUE	8369	4	5
"5355-16-8"	"DTXSID2046200"	"Diaveridine"	"EPA_DSSTox"	"COC1C=CC(CC2=CN=C(N)N=C2N)=CC=1OC"	"?"	"InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)"	"LDBTVAXGKYIFHO-UHFFFAOYSA-N"	FALSE	TRUE	3679	3	5
"53551-74-9"	"DTXSID10201763"	"Phenol, 2,2-bis(1,1-dimethylethyl)-6-mercapto-"	"EPA_DSSTox"	"CC(C)(C)C1C=C(C(O)=C(S)C=1)C(C)(C)C"	"?"	"InChI=1S/C14H22OS/c1-13(2,3)9-7-10(14(4,5)6)12(15)11(16)8-9/h7-8,15-16H,1-6H3"	"SEUXZGMOSAXITB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"53597-27-6"	"DTXSID80201811"	"Fendosal"	"EPA_DSSTox"	"OC1C=CC(=CC=1C(O)=O)N1C(=CC2C3C=CC=CC=3CCC1=2)C1C=CC=CC=1"	"?"	"InChI=1S/C25H19NO3/c27-24-13-11-18(14-21(24)25(28)29)26-22-12-10-16-6-4-5-9-19(16)20(22)15-23(26)17-7-2-1-3-8-17/h1-9,11,13-15,27H,10,12H2,(H,28,29)"	"HAWWPSYXSLJRBO-UHFFFAOYSA-N"	FALSE	FALSE	450	2	4
"536-08-3"	NA	NA	"Public_CrossChecked"	"OC(=O)C1C=C(O)C(O)=C(C=1)OC(=O)C1=CC(O)=C(O)C(O)=C1"	"?"	"InChI=1S/C14H10O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-4,15-19H,(H,20,21)"	"COVFEVWNJUOYRL-UHFFFAOYSA-N"	FALSE	TRUE	2260	3	5
"536-21-0"	"DTXSID3048314"	"Norfenefrine"	"EPA_DSSTox"	"NCC(O)C1C=C(O)C=CC=1"	"?"	"InChI=1S/C8H11NO2/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4,8,10-11H,5,9H2"	"LRCXRAABFLIVAI-UHFFFAOYSA-N"	FALSE	FALSE	390	2	4
"536-33-4"	"DTXSID0020577"	"Ethionamide"	"EPA_DSSTox"	"CCC1C=C(C=CN=1)C(N)=S"	"?"	"InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)"	"AEOCXXJPGCBFJA-UHFFFAOYSA-N"	FALSE	FALSE	1320	3	4
"536-60-7"	"DTXSID0021626"	"4-Isopropylbenzyl alcohol"	"EPA_DSSTox"	"CC(C)C1C=CC(CO)=CC=1"	"?"	"InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3"	"OIGWAXDAPKFNCQ-UHFFFAOYSA-N"	FALSE	FALSE	1020	3	4
"536-69-6"	"DTXSID5023085"	"Fusaric acid"	"EPA_DSSTox"	"CCCCC1C=CC(=NC=1)C(O)=O"	"?"	"InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)"	"DGMPVYSXXIOGJY-UHFFFAOYSA-N"	FALSE	FALSE	480	2	4
"53615-22-8"	"DTXSID40201857"	"Benzimidazole, 4-bromo-5,6-dichloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1NC2=CC(Cl)=C(Cl)C(Br)=C2N=1"	"?"	"InChI=1S/C8H2BrCl2F3N2/c9-4-5(11)2(10)1-3-6(4)16-7(15-3)8(12,13)14/h1H,(H,15,16)"	"DVRHUASDTBDZKQ-UHFFFAOYSA-N"	TRUE	FALSE	2.206	1	1
"53615-23-9"	"DTXSID00201858"	"Benzimidazole, 5-chloro-4,6-dibromo-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1NC2=CC(Br)=C(Cl)C(Br)=C2N=1"	"?"	"InChI=1S/C8H2Br2ClF3N2/c9-2-1-3-6(4(10)5(2)11)16-7(15-3)8(12,13)14/h1H,(H,15,16)"	"POIOLNAIRDCQKY-UHFFFAOYSA-N"	TRUE	FALSE	8.471	1	2
"53639-82-0"	"DTXSID60201879"	"Pridinol mesilate"	"EPA_DSSTox"	"CS(=O)(=O)OC(CCN1CCCCC1)(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C21H27NO3S/c1-26(23,24)25-21(19-11-5-2-6-12-19,20-13-7-3-8-14-20)15-18-22-16-9-4-10-17-22/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3"	"CNGZDVMAVFKQNH-UHFFFAOYSA-N"	FALSE	FALSE	1240	3	4
"53651-69-7"	"DTXSID3042344"	"Propyl L-lactate"	"EPA_DSSTox"	"CCCOC(=O)C(C)O"	"?"	"InChI=1S/C6H12O3/c1-3-4-9-6(8)5(2)7/h5,7H,3-4H2,1-2H3"	"ILVGAIQLOCKNQA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"536759-91-8"	"DTXSID10470997"	"Ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate"	"EPA_DSSTox"	"COC1C=CC(=CC=1)N1N=C(C2CCN(C3C=CC(=CC=3)[N+]([O-])=O)C(=O)C1=2)C(=O)OCC"	"?"	"InChI=1S/C22H20N4O6/c1-3-32-22(28)19-18-12-13-24(14-4-6-16(7-5-14)26(29)30)21(27)20(18)25(23-19)15-8-10-17(31-2)11-9-15/h4-11H,3,12-13H2,1-2H3"	"RQNAOIQEGPVYTC-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"537-61-1"	NA	NA	"Public_CrossChecked"	"CC1CCCCN1CCCOC(=O)C1=CC=C(C=C1)OC1CCCCC1"	"Cl"	"InChI=1S/C22H33NO3/c1-18-8-5-6-15-23(18)16-7-17-25-22(24)19-11-13-21(14-12-19)26-20-9-3-2-4-10-20/h11-14,18,20H,2-10,15-17H2,1H3"	"YLRNESBGEGGQBK-UHFFFAOYSA-N"	FALSE	TRUE	2340	3	5
"537-73-5"	NA	NA	"Public_CrossChecked"	"COC1C=CC(=CC=1O)C=CC(O)=O"	"?"	"InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)"	"QURCVMIEKCOAJU-UHFFFAOYSA-N"	FALSE	TRUE	7900	4	5
"5370-01-4"	"DTXSID2045783"	"Mexiletene hydrochloride"	"EPA_DSSTox"	"CC1C=CC=C(C)C=1OCC(C)N"	"Cl"	"InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3"	"VLPIATFUUWWMKC-UHFFFAOYSA-N"	FALSE	FALSE	330	2	4
"5370-41-2"	"DTXSID30201962"	"Pridefine"	"EPA_DSSTox"	"CCN1CC(CC1)=C(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C19H21N/c1-2-20-14-13-18(15-20)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3"	"BJUHVJHOJBHLJS-UHFFFAOYSA-N"	FALSE	FALSE	450	2	4
"53716-49-7"	"DTXSID1045871"	"Carprofen"	"EPA_DSSTox"	"CC(C(O)=O)C1=CC2NC3C=CC(Cl)=CC=3C=2C=C1"	"?"	"InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)"	"PUXBGTOOZJQSKH-UHFFFAOYSA-N"	FALSE	FALSE	74	2	3
"53716-82-8"	"DTXSID30450332"	"ZINC06658081"	"EPA_DSSTox"	"O=C1CCC2COC1O2"	"?"	"InChI=1S/C6H8O3/c7-5-2-1-4-3-8-6(5)9-4/h4,6H,1-3H2"	"WHIRALQRTSITMI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"53720-84-6"	"DTXSID20201991"	"Imidazolidine, 1,3-bis(3-chlorophenyl)-2-(trichloromethyl)-"	"EPA_DSSTox"	"ClC(Cl)(Cl)C1N(CCN1C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C16H13Cl5N2/c17-11-1-5-13(6-2-11)22-9-10-23(15(22)16(19,20)21)14-7-3-12(18)4-8-14/h1-8,15H,9-10H2"	"OZAXVHLTMCULJL-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"5373-42-2"	"DTXSID90202011"	"Thalicarpine"	"EPA_DSSTox"	"CN1CCC2C=C(OC)C(OC)=C3C=2C1CC1C=C(OC2C=C(OC)C(=CC=2CC2C4C=C(OC)C(=CC=4CCN2C)OC)OC)C(=CC=13)OC"	"?"	"InChI=1S/C41H48N2O8/c1-42-12-10-23-16-32(44-3)34(46-5)20-27(23)29(42)15-26-19-33(45-4)36(48-7)22-31(26)51-37-18-25-14-30-39-24(11-13-43(30)2)17-38(49-8)41(50-9)40(39)28(25)21-35(37)47-6/h16-22,29-30H,10-15H2,1-9H3"	"ZCTJIMXXSXQXRI-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"53749-38-5"	"DTXSID00202022"	"Undecanoic acid, 11-(chlorodimethylsilyl)-, methyl ester"	"EPA_DSSTox"	"COC(=O)CCCCCCCCCC[Si](C)(C)Cl"	"?"	"InChI=1S/C14H29ClO2Si/c1-17-14(16)12-10-8-6-4-5-7-9-11-13-18(2,3)15/h4-13H2,1-3H3"	"ZTVPSFFFPDOOLA-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"5376-09-0"	NA	NA	"Public_CrossChecked"	"CN(C)C=C1C(=O)N(N=C1C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C18H17N3O/c1-20(2)13-16-17(14-9-5-3-6-10-14)19-21(18(16)22)15-11-7-4-8-12-15/h3-13H,1-2H3"	"CDHLHRHJQPAXLI-UHFFFAOYSA-N"	FALSE	FALSE	890	3	4
"53780-34-0"	"DTXSID7034709"	"Mefluidide"	"EPA_DSSTox"	"CC(=O)NC1C=C(NS(=O)(=O)C(F)(F)F)C(C)=CC=1C"	"?"	"InChI=1S/C11H13F3N2O3S/c1-6-4-7(2)10(5-9(6)15-8(3)17)16-20(18,19)11(12,13)14/h4-5,16H,1-3H3,(H,15,17)"	"OKIBNKKYNPBDRS-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"53797-35-6"	"DTXSID8045480"	"Ribostamycin sulfate"	"EPA_DSSTox"	"NCC1OC(OC2C(OC3OC(CO)C(O)C3O)C(O)C(N)CC2N)C(N)C(O)C1O"	"S(=O)(=O)(O)O"	"InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2"	"NSKGQURZWSPSBC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"538-07-8"	"DTXSID0060220"	"Nitrogen mustard (HN-1)"	"EPA_DSSTox"	"CCN(CCCl)CCCl"	"?"	"InChI=1S/C6H13Cl2N/c1-2-9(5-3-7)6-4-8/h2-6H2,1H3"	"UQZPGHOJMQTOHB-UHFFFAOYSA-N"	TRUE	FALSE	2.5	1	1
"538-23-8"	"DTXSID6021375"	"Tricaprylin"	"EPA_DSSTox"	"CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC"	"?"	"InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3"	"VLPFTAMPNXLGLX-UHFFFAOYSA-N"	FALSE	TRUE	33300	4	5
"538-28-3"	"DTXSID0060222"	"Carbamimidothioic acid, phenylmethyl ester, monohydrochloride"	"EPA_DSSTox"	"[H]/N=C(\N)/SCC1C=CC=CC=1"	"Cl"	"InChI=1S/C8H10N2S/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10)"	"GTRLQRHWPXEBLF-UHFFFAOYSA-N"	TRUE	FALSE	27	1	2
"538-32-9"	"DTXSID10202078"	"Benzylurea"	"EPA_DSSTox"	"NC(=O)NCC1C=CC=CC=1"	"?"	"InChI=1S/C8H10N2O/c9-8(11)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11)"	"RJNJWHFSKNJCTB-UHFFFAOYSA-N"	FALSE	TRUE	2700	3	5
"538-74-9"	"DTXSID6024599"	"Benzyl sulfide"	"EPA_DSSTox"	"C(SCC1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C14H14S/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2"	"LUFPJJNWMYZRQE-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"53808-87-0"	"DTXSID80202085"	"Tetroxoprim"	"EPA_DSSTox"	"COCCOC1C(=CC(CC2C=NC(N)=NC=2N)=CC=1OC)OC"	"?"	"InChI=1S/C16H22N4O4/c1-21-4-5-24-14-12(22-2)7-10(8-13(14)23-3)6-11-9-19-16(18)20-15(11)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20)"	"WSWJIZXMAUYHOE-UHFFFAOYSA-N"	FALSE	FALSE	1172	3	4
"53839-71-7"	NA	NA	"Public_CrossChecked"	"CCOC(=O)C1C=CC(=CC=1)NC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C"	"?"	"InChI=1S/C29H37NO3/c1-7-33-28(32)24-14-16-25(17-15-24)30-27(31)20-22(3)11-8-10-21(2)13-18-26-23(4)12-9-19-29(26,5)6/h8,10-11,13-18,20H,7,9,12,19H2,1-6H3,(H,30,31)"	"VRSMJNVXOITYPE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"5384-21-4"	"DTXSID4063820"	"Phenol, 4,4'-methylenebis[2,6-dimethyl-"	"EPA_DSSTox"	"CC1C=C(CC2=CC(C)=C(O)C(C)=C2)C=C(C)C=1O"	"?"	"InChI=1S/C17H20O2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15/h5-8,18-19H,9H2,1-4H3"	"AZZWZMUXHALBCQ-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"53858-86-9"	NA	NA	"Public_CrossChecked"	"OCC1OC(OCC(O)C(O)C(O)C(=O)CO)C(O)C(O)C1O"	"[OH-].[OH-].[OH-]"	"InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h5-14,16-21H,1-3H2"	"RJPPRBMGVWEZRR-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"53874-66-1"	"DTXSID00202128"	"3-Phenoxybenzyl chloride"	"EPA_DSSTox"	"ClCC1=CC(=CC=C1)OC1C=CC=CC=1"	"?"	"InChI=1S/C13H11ClO/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9H,10H2"	"QUYVTGFWFHQVRO-UHFFFAOYSA-N"	FALSE	FALSE	1224	3	4
"53874-68-3"	"DTXSID60202129"	"Benzene, 1-(dichloromethyl)-3-phenoxy-"	"EPA_DSSTox"	"ClC(Cl)C1=CC(=CC=C1)OC1C=CC=CC=1"	"?"	"InChI=1S/C13H10Cl2O/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9,13H"	"JOVSDWRNVGOQNK-UHFFFAOYSA-N"	FALSE	TRUE	6000	4	5
"53878-49-2"	"DTXSID70202130"	"1,3,5-Triazine-2,4-diamine, 6-((4-chlorophenoxy)methyl)-N-(2-phenylethyl)-"	"EPA_DSSTox"	"NC1N=C(NCCC2C=CC=CC=2)N=C(COC2C=CC(Cl)=CC=2)N=1"	"?"	"InChI=1S/C18H18ClN5O/c19-14-6-8-15(9-7-14)25-12-16-22-17(20)24-18(23-16)21-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H3,20,21,22,23,24)"	"TVTSSGHJADIWJU-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"5388-62-5"	"DTXSID4063822"	"4-Chloro-2,6-dinitroaniline"	"EPA_DSSTox"	"NC1C(=CC(Cl)=CC=1[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C6H4ClN3O4/c7-3-1-4(9(11)12)6(8)5(2-3)10(13)14/h1-2H,8H2"	"CLMQUEQFVUMDPC-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"53885-35-1"	"DTXSID80202141"	"Ticlopidine hydrochloride"	"EPA_DSSTox"	"ClC1C=CC=CC=1CN1CC2C=CSC=2CC1"	"Cl"	"InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2"	"PHWBOXQYWZNQIN-UHFFFAOYSA-N"	FALSE	FALSE	1780	3	4
"5389-12-8"	NA	NA	"Public_CrossChecked"	"CCC(C)C1C=C(C=C(C=1OC(=O)SC)[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C12H14N2O6S/c1-4-7(2)9-5-8(13(16)17)6-10(14(18)19)11(9)20-12(15)21-3/h5-7H,4H2,1-3H3"	"AYECJGKYACALJY-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"53894-28-3"	"DTXSID20202160"	"Agidol AF-2"	"EPA_DSSTox"	"NCCNCC1C=CC=CC=1O"	"?"	"InChI=1S/C9H14N2O/c10-5-6-11-7-8-3-1-2-4-9(8)12/h1-4,11-12H,5-7,10H2"	"ZJSCDDIGFJQVAC-UHFFFAOYSA-N"	FALSE	TRUE	3700	3	5
"539-21-9"	"DTXSID3046407"	"Ambazone"	"EPA_DSSTox"	"[H]N=C(N)NN=C1C=CC(C=C1)=NNC(N)=S |c:5,t:12|"	"?"	"InChI=1S/C8H11N7S/c9-7(10)14-12-5-1-3-6(4-2-5)13-15-8(11)16/h1-4H,(H4,9,10,14)(H3,11,15,16)/b12-5-,13-6+"	"MLMFUKWWZIZRHX-UWRPRBHNSA-N"	FALSE	FALSE	750	3	4
"539-88-8"	"DTXSID8047058"	"Ethyl levulinate"	"EPA_DSSTox"	"CC(=O)CCC(=O)OCC"	"?"	"InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3"	"GMEONFUTDYJSNV-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"539-90-2"	"DTXSID8047557"	"Isobutyl butyrate"	"EPA_DSSTox"	"CCCC(=O)OCC(C)C"	"?"	"InChI=1S/C8H16O2/c1-4-5-8(9)10-6-7(2)3/h7H,4-6H2,1-3H3"	"RGFNRWTWDWVHDD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"53912-89-3"	NA	NA	"Public_CrossChecked"	"C1CCCC(N1)C1C=NC=CC=1"	"?"	"InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2"	"MTXSIJUGVMTTMU-UHFFFAOYSA-N"	FALSE	FALSE	235	2	3
"5392-40-5"	"DTXSID6024836"	"3,7-Dimethyl-2,6-octadienal"	"EPA_DSSTox"	"CC(C)=CCCC(C)=CC=O"	"?"	"InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3"	"WTEVQBCEXWBHNA-UHFFFAOYSA-N"	FALSE	TRUE	4895	3	5
"53944-40-4"	"DTXSID90202233"	"Y 9000"	"EPA_DSSTox"	"CC(=O)C1=CC2=C(C=C1)OC1=NC=CC=C1C2=O"	"?"	"InChI=1S/C14H9NO3/c1-8(16)9-4-5-12-11(7-9)13(17)10-3-2-6-15-14(10)18-12/h2-7H,1H3"	"ZYGDCOJTJFQANG-UHFFFAOYSA-N"	FALSE	FALSE	1679	3	4
"53956-04-0"	"DTXSID2041204"	"Ammonium glycyrrhizate"	"EPA_DSSTox"	"CC1(C)C2CCC3(C)C(C(=O)C=C4C5CC(C)(CCC5(C)CCC34C)C(O)=O)C2(C)CCC1OC1OC(C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O"	"[NH4+]"	"InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)"	"LPLVUJXQOOQHMX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"5397-31-9"	"DTXSID1025304"	"3-((2-Ethylhexyl)oxy)propylamine"	"EPA_DSSTox"	"CCCCC(COCCCN)CC"	"?"	"InChI=1S/C11H25NO/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11H,3-10,12H2,1-2H3"	"DVFGEIYOLIFSRX-UHFFFAOYSA-N"	FALSE	FALSE	320	2	4
"53988-10-6"	"DTXSID9052185"	"1,3-Dihydro-4(or 5)-methyl-2H-benzimidazole-2-thione"	"EPA_DSSTox"	"CC1C=C2NC(=S)NC2=CC=1"	"?"	"InChI=1S/C8H8N2S/c1-5-2-3-6-7(4-5)10-8(11)9-6/h2-4H,1H3,(H2,9,10,11)"	"CWIYBOJLSWJGKV-UHFFFAOYSA-N"	FALSE	FALSE	340	2	4
"53994-73-3"	"DTXSID3022748"	"Cefaclor"	"EPA_DSSTox"	"NC(C1C=CC=CC=1)C(=O)NC1C2SCC(Cl)=C(C(O)=O)N2C1=O"	"?"	"InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)"	"QYIYFLOTGYLRGG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"54-05-7"	"DTXSID2040446"	"Chloroquine"	"EPA_DSSTox"	"CC(CCCN(CC)CC)NC1C=CN=C2C=C(Cl)C=CC2=1"	"?"	"InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)"	"WHTVZRBIWZFKQO-UHFFFAOYSA-N"	FALSE	FALSE	330	2	4
"54-11-5"	"DTXSID1020930"	"Nicotine"	"EPA_DSSTox"	"CN1CCCC1C1=CN=CC=C1"	"?"	"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3"	"SNICXCGAKADSCV-UHFFFAOYSA-N"	FALSE	FALSE	51.25	2	3
"54-21-7"	"DTXSID5021708"	"Sodium salicylate"	"EPA_DSSTox"	"OC1C=CC=CC=1C(O)=O"	"[Na+]"	"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)"	"YGSDEFSMJLZEOE-UHFFFAOYSA-N"	FALSE	FALSE	930	3	4
"54-36-4"	"DTXSID1023314"	"Metyrapone"	"EPA_DSSTox"	"CC(C)(C(=O)C1=CN=CC=C1)C1=CN=CC=C1"	"?"	"InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3"	"FJLBFSROUSIWMA-UHFFFAOYSA-N"	FALSE	FALSE	521	3	4
"54-47-7"	"DTXSID4048351"	"Pyridoxal phosphate"	"EPA_DSSTox"	"CC1N=CC(COP(O)(O)=O)=C(C=O)C=1O"	"?"	"InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)"	"NGVDGCNFYWLIFO-UHFFFAOYSA-N"	FALSE	TRUE	5900	4	5
"54-49-9"	"DTXSID8023268"	"Metaraminol"	"EPA_DSSTox"	"CC(N)C(O)C1=CC(O)=CC=C1"	"?"	"InChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3"	"WXFIGDLSSYIKKV-UHFFFAOYSA-N"	FALSE	FALSE	240	2	3
"54-85-3"	"DTXSID8020755"	"Isoniazid"	"EPA_DSSTox"	"NNC(=O)C1C=CN=CC=1"	"?"	"InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)"	"QRXWMOHMRWLFEY-UHFFFAOYSA-N"	FALSE	FALSE	650	3	4
"54-87-5"	"DTXSID80202308"	"Nitrofurantoin sodium"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC=C(C=NN2CC(=O)N=C2O)O1"	"[Na+]"	"InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)"	"NXFQHRVNIOXGAQ-UHFFFAOYSA-N"	FALSE	FALSE	1493	3	4
"54-92-2"	"DTXSID5023168"	"Iproniazid"	"EPA_DSSTox"	"CC(C)NNC(=O)C1C=CN=CC=1"	"?"	"InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)"	"NYMGNSNKLVNMIA-UHFFFAOYSA-N"	FALSE	FALSE	365	2	4
"54-95-5"	"DTXSID7041091"	"Pentylenetetrazol"	"EPA_DSSTox"	"C1CCCCN2N=NN=C21"	"?"	"InChI=1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2"	"CWRVKFFCRWGWCS-UHFFFAOYSA-N"	FALSE	FALSE	140	2	3
"540-07-8"	"DTXSID0047581"	"Pentyl hexanoate"	"EPA_DSSTox"	"CCCCCOC(=O)CCCCC"	"?"	"InChI=1S/C11H22O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3"	"WRFZKAGPPQGDDQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"540-23-8"	"DTXSID2021365"	"4-Methylaniline hydrochloride"	"EPA_DSSTox"	"CC1=CC=C(N)C=C1"	"Cl"	"InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3"	"RZXMPPFPUUCRFN-UHFFFAOYSA-N"	FALSE	FALSE	1285	3	4
"540-37-4"	"DTXSID9060239"	"Benzenamine, 4-iodo-"	"EPA_DSSTox"	"NC1=CC=C(I)C=C1"	"?"	"InChI=1S/C6H6IN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2"	"VLVCDUSVTXIWGW-UHFFFAOYSA-N"	FALSE	FALSE	523	3	4
"540-54-5"	"DTXSID3051462"	"1-Chloropropane"	"EPA_DSSTox"	"CCCCl"	"?"	"InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3"	"SNMVRZFUUCLYTO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"540-59-0"	"DTXSID8024991"	"1,2-Dichloroethylene"	"EPA_DSSTox"	"ClC=CCl"	"?"	"InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H"	"KFUSEUYYWQURPO-UHFFFAOYSA-N"	FALSE	FALSE	770	3	4
"540-72-7"	"DTXSID4021343"	"Sodium thiocyanate"	"EPA_DSSTox"	"N#CS"	"[Na+]"	"InChI=1S/CHNS/c2-1-3/h3H"	"ZMZDMBWJUHKJPS-UHFFFAOYSA-N"	FALSE	FALSE	764	3	4
"540-73-8"	"DTXSID0041228"	"1,2-Dimethylhydrazine"	"EPA_DSSTox"	"CNNC"	"?"	"InChI=1S/C2H8N2/c1-3-4-2/h3-4H,1-2H3"	"DIIIISSCIXVANO-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"540-84-1"	"DTXSID7024370"	"2,2,4-Trimethylpentane"	"EPA_DSSTox"	"CC(C)CC(C)(C)C"	"?"	"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3"	"NHTMVDHEPJAVLT-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"540-88-5"	"DTXSID1022055"	"tert-Butyl acetate"	"EPA_DSSTox"	"CC(=O)OC(C)(C)C"	"?"	"InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3"	"WMOVHXAZOJBABW-UHFFFAOYSA-N"	FALSE	TRUE	4100	3	5
"540-97-6"	"DTXSID6027183"	"Dodecamethylcyclohexasiloxane"	"EPA_DSSTox"	"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"	FALSE	TRUE	NA	NA	5
"5408-74-2"	"DTXSID10202412"	"Pyridine, 5-ethyl-2-vinyl-"	"EPA_DSSTox"	"CCC1=CC=C(C=C)N=C1"	"?"	"InChI=1S/C9H11N/c1-3-8-5-6-9(4-2)10-7-8/h4-7H,2-3H2,1H3"	"YQUDMNIUBTXLSX-UHFFFAOYSA-N"	FALSE	FALSE	1230	3	4
"541-02-6"	"DTXSID1027184"	"Decamethylcyclopentasiloxane"	"EPA_DSSTox"	"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"	FALSE	TRUE	NA	4	5
"541-41-3"	"DTXSID1027186"	"Ethyl chloroformate"	"EPA_DSSTox"	"CCOC(=O)Cl"	"?"	"InChI=1S/C3H5ClO2/c1-2-6-3(4)5/h2H2,1H3"	"RIFGWPKJUGCATF-UHFFFAOYSA-N"	FALSE	FALSE	270	2	3
"541-47-9"	"DTXSID2047145"	"3,3-Dimethylacrylic acid"	"EPA_DSSTox"	"CC(C)=CC(O)=O"	"?"	"InChI=1S/C5H8O2/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7)"	"YYPNJNDODFVZLE-UHFFFAOYSA-N"	FALSE	TRUE	3560	3	5
"541-53-7"	"DTXSID2034968"	"2,4-Dithiobiuret"	"EPA_DSSTox"	"NC(=S)NC(N)=S"	"?"	"InChI=1S/C2H5N3S2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)"	"JIRRNZWTWJGJCT-UHFFFAOYSA-N"	TRUE	FALSE	5	1	2
"541-85-5"	"DTXSID9047047"	"5-Methyl-3-heptanone"	"EPA_DSSTox"	"CC(CC(=O)CC)CC"	"?"	"InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3"	"PSBKJPTZCVYXSD-UHFFFAOYSA-N"	FALSE	TRUE	3500	3	5
"541-88-8"	NA	NA	"Public_CrossChecked"	"O=C(CCl)OC(=O)CCl"	"?"	"InChI=1S/C4H4Cl2O3/c5-1-3(7)9-4(8)2-6/h1-2H2"	"PNVPNXKRAUBJGW-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"541-95-7"	NA	NA	"Public_CrossChecked"	"CCCC(C)OC(N)=O"	"?"	"InChI=1S/C6H13NO2/c1-3-4-5(2)9-6(7)8/h5H,3-4H2,1-2H3,(H2,7,8)"	"HZMVPSHLMIQQNX-UHFFFAOYSA-N"	FALSE	FALSE	421	2	4
"54110-25-7"	"DTXSID70202458"	"Pirozadil"	"EPA_DSSTox"	"COC1C=C(C=C(OC)C=1OC)C(=O)OCC1=CC=CC(COC(=O)C2C=C(OC)C(OC)=C(C=2)OC)=N1"	"?"	"InChI=1S/C27H29NO10/c1-31-20-10-16(11-21(32-2)24(20)35-5)26(29)37-14-18-8-7-9-19(28-18)15-38-27(30)17-12-22(33-3)25(36-6)23(13-17)34-4/h7-13H,14-15H2,1-6H3"	"DIIBXMIIOQXTHW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"5412-64-6"	NA	NA	"Public_CrossChecked"	"CCCCNC(C)C1C=CC=CC=1"	"?"	"InChI=1S/C12H19N/c1-3-4-10-13-11(2)12-8-6-5-7-9-12/h5-9,11,13H,3-4,10H2,1-2H3"	"SHHMVRIBSOJMCK-UHFFFAOYSA-N"	FALSE	FALSE	360	2	4
"5415-44-1"	"DTXSID50202496"	"1,3,7-Trimethyluric acid"	"EPA_DSSTox"	"CN1C(=O)C2=C(NC(=O)N2C)N(C)C1=O"	"?"	"InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14)"	"BYXCFUMGEBZDDI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"542-08-5"	"DTXSID7060253"	"Butanoic acid, 3-oxo-, 1-methylethyl ester"	"EPA_DSSTox"	"CC(=O)CC(=O)OC(C)C"	"?"	"InChI=1S/C7H12O3/c1-5(2)10-7(9)4-6(3)8/h5H,4H2,1-3H3"	"GVIIRWAJDFKJMJ-UHFFFAOYSA-N"	FALSE	TRUE	16200	4	5
"542-58-5"	"DTXSID40878740"	"Ethanol, 2-chloro-, acetate"	"EPA_DSSTox"	"CC(=O)OCCCl"	"?"	"InChI=1S/C4H7ClO2/c1-4(6)7-3-2-5/h2-3H2,1H3"	"VIRWKAJWTKAIMA-UHFFFAOYSA-N"	TRUE	FALSE	10	1	2
"542-59-6"	"DTXSID10862156"	"1,2-Ethanediol, 1-acetate"	"EPA_DSSTox"	"CC(=O)OCCO"	"?"	"InChI=1S/C4H8O3/c1-4(6)7-3-2-5/h5H,2-3H2,1H3"	"HXDLWJWIAHWIKI-UHFFFAOYSA-N"	FALSE	TRUE	8250	4	5
"542-75-6"	"DTXSID1022057"	"1,3-Dichloropropene"	"EPA_DSSTox"	"ClC=CCCl"	"?"	"InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2"	"UOORRWUZONOOLO-UHFFFAOYSA-N"	FALSE	FALSE	110.5	2	3
"542-76-7"	"DTXSID4030336"	"3-Chloropropionitrile"	"EPA_DSSTox"	"N#CCCCl"	"?"	"InChI=1S/C3H4ClN/c4-2-1-3-5/h1-2H2"	"GNHMRTZZNHZDDM-UHFFFAOYSA-N"	TRUE	FALSE	10	1	2
"542-78-9"	"DTXSID90202556"	"Malonaldehyde"	"EPA_DSSTox"	"O=CCC=O"	"?"	"InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2"	"WSMYVTOQOOLQHP-UHFFFAOYSA-N"	FALSE	FALSE	632	3	4
"542-92-7"	"DTXSID0027191"	"1,3-Cyclopentadiene"	"EPA_DSSTox"	"C1C=CC=C1"	"?"	"InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2"	"ZSWFCLXCOIISFI-UHFFFAOYSA-N"	FALSE	FALSE	113	2	3
"5421-46-5"	"DTXSID2027599"	"Ammonium thioglycolate"	"EPA_DSSTox"	"OC(=O)CS"	"[NH4+]"	"InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)"	"CWERGRDVMFNCDR-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"5424-01-1"	"DTXSID20202589"	"3-Aminopyrazine-2-carboxylic acid"	"EPA_DSSTox"	"NC1=NC=CN=C1C(O)=O"	"?"	"InChI=1S/C5H5N3O2/c6-4-3(5(9)10)7-1-2-8-4/h1-2H,(H2,6,8)(H,9,10)"	"ZAGZIOYVEIDDJA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"54240-36-7"	"DTXSID3046798"	"Mabuterol hydrochloride"	"EPA_DSSTox"	"CC(C)(C)NCC(O)C1C=C(Cl)C(N)=C(C=1)C(F)(F)F"	"Cl"	"InChI=1S/C13H18ClF3N2O/c1-12(2,3)19-6-10(20)7-4-8(13(15,16)17)11(18)9(14)5-7/h4-5,10,19-20H,6,18H2,1-3H3"	"JSJCTEKTBOKRST-UHFFFAOYSA-N"	FALSE	FALSE	306	2	4
"54247-25-5"	NA	NA	"Public_CrossChecked"	"CC(C)(C)NCC(O)COC1C=C(Cl)C=CC=1Cl"	"Cl"	"InChI=1S/C13H19Cl2NO2/c1-13(2,3)16-7-10(17)8-18-12-6-9(14)4-5-11(12)15/h4-6,10,16-17H,7-8H2,1-3H3"	"XYCMOTOFHFTUIU-UHFFFAOYSA-N"	FALSE	FALSE	1300	3	4
"54249-44-4"	"DTXSID70202599"	"Wy 16,922"	"EPA_DSSTox"	"COC1C=CC=C(NC(=O)C(=O)OCC)C=1C(N)=O"	"?"	"InChI=1S/C12H14N2O5/c1-3-19-12(17)11(16)14-7-5-4-6-8(18-2)9(7)10(13)15/h4-6H,3H2,1-2H3,(H2,13,15)(H,14,16)"	"GGLRYZACPLNCKB-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"5426-89-1"	"DTXSID10202619"	"Caffeine, 8-(p-aminobenzyl)-"	"EPA_DSSTox"	"CN1C(=O)C2=C(N=C(CC3C=CC(N)=CC=3)N2C)N(C)C1=O"	"?"	"InChI=1S/C15H17N5O2/c1-18-11(8-9-4-6-10(16)7-5-9)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8,16H2,1-3H3"	"OSKJFYYILYDPAQ-UHFFFAOYSA-N"	FALSE	FALSE	383	2	4
"54266-44-3"	"DTXSID20878804"	"1,3-OXATHIOLAN-4-ONE, O-[(METHYLAMINO)CARBONYL]O"	"EPA_DSSTox"	"CN=C(O)ON=C1COCS1"	"?"	"InChI=1S/C5H8N2O3S/c1-6-5(8)10-7-4-2-9-3-11-4/h2-3H2,1H3,(H,6,8)"	"ZKYYGMLZFIEKFZ-UHFFFAOYSA-N"	TRUE	FALSE	49	1	2
"54266-46-5"	"DTXSID90875608"	"1,3-OXATHIOLAN-4-ONE, 5-METHYL-, O-[(METHYLAMINO"	"EPA_DSSTox"	"CN=C(O)ON=C1SCOC1C"	"?"	"InChI=1S/C6H10N2O3S/c1-4-5(12-3-10-4)8-11-6(9)7-2/h4H,3H2,1-2H3,(H,7,9)"	"FVDWZFPLMSMCTP-UHFFFAOYSA-N"	TRUE	FALSE	12	1	2
"54266-55-6"	"DTXSID20878824"	"1,4-OXATHIAN-3-ONE, O-[(METHYLAMINO)CARBONYL]OXI"	"EPA_DSSTox"	"CN=C(O)ON=C1COCCS1"	"?"	"InChI=1S/C6H10N2O3S/c1-7-6(9)11-8-5-4-10-2-3-12-5/h2-4H2,1H3,(H,7,9)"	"NTSHLFYHHPXFKD-UHFFFAOYSA-N"	TRUE	FALSE	37	1	2
"54266-57-8"	NA	NA	"Public_CrossChecked"	"CC1OCC(=NOC(=O)NC)S1"	"?"	"InChI=1S/C6H10N2O3S/c1-4-10-3-5(12-4)8-11-6(9)7-2/h4H,3H2,1-2H3,(H,7,9)"	"BHQUYFUCFMPJTA-UHFFFAOYSA-N"	TRUE	FALSE	49	1	2
"54266-78-3"	NA	NA	"Public_CrossChecked"	"CCC1OCC(=NOC(=O)NC)S1"	"?"	"InChI=1S/C7H12N2O3S/c1-3-6-11-4-5(13-6)9-12-7(10)8-2/h6H,3-4H2,1-2H3,(H,8,10)"	"NSSTXSUIKRFJRH-UHFFFAOYSA-N"	FALSE	FALSE	60	2	3
"54266-79-4"	NA	NA	"Public_CrossChecked"	"CCC1OCSC1=NOC(=O)NC"	"?"	"InChI=1S/C7H12N2O3S/c1-3-5-6(13-4-11-5)9-12-7(10)8-2/h5H,3-4H2,1-2H3,(H,8,10)"	"ZRFNFSJBGOZWDF-UHFFFAOYSA-N"	TRUE	FALSE	24	1	2
"54266-83-0"	"DTXSID50875760"	"1,3-OXATHIOLAN-4-ONE, 5-(1-METHYLETHYL)-, O-[(ME"	"EPA_DSSTox"	"CC(C)C1OCSC1=NOC(O)=NC"	"?"	"InChI=1S/C8H14N2O3S/c1-5(2)6-7(14-4-12-6)10-13-8(11)9-3/h5-6H,4H2,1-3H3,(H,9,11)"	"RLHJBVCLTDPOKM-UHFFFAOYSA-N"	TRUE	FALSE	16	1	2
"54270-10-9"	"DTXSID30202631"	"Methanone, (1-methyl-2-(1-methylethyl)-1H-indol-3-yl)-3-pyridinyl-"	"EPA_DSSTox"	"CC(C)C1=C(C(=O)C2C=NC=CC=2)C2C=CC=CC=2N1C"	"?"	"InChI=1S/C18H18N2O/c1-12(2)17-16(18(21)13-7-6-10-19-11-13)14-8-4-5-9-15(14)20(17)3/h4-12H,1-3H3"	"GOMJFICMDLIBQZ-UHFFFAOYSA-N"	FALSE	TRUE	2400	3	5
"54289-46-2"	"DTXSID90886092"	"Benzenamine, N,N-diethyl-4-[2-(5-nitro-2-thiazolyl)diazenyl]-"	"EPA_DSSTox"	"CCN(CC)C1C=CC(=CC=1)N=NC1=NC=C(S1)[N+]([O-])=O"	"?"	"InChI=1S/C13H15N5O2S/c1-3-17(4-2)11-7-5-10(6-8-11)15-16-13-14-9-12(21-13)18(19)20/h5-9H,3-4H2,1-2H3"	"KARZQFDVRALNLN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"54299-17-1"	"DTXSID5074056"	"Methanone, 1,4-phenylenebis[(4-phenoxyphenyl)-"	"EPA_DSSTox"	"O=C(C1C=CC(=CC=1)C(=O)C1C=CC(=CC=1)OC1C=CC=CC=1)C1C=CC(=CC=1)OC1C=CC=CC=1"	"?"	"InChI=1S/C32H22O4/c33-31(25-15-19-29(20-16-25)35-27-7-3-1-4-8-27)23-11-13-24(14-12-23)32(34)26-17-21-30(22-18-26)36-28-9-5-2-6-10-28/h1-22H"	"NWJVKSITTJQWCG-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"543-39-5"	"DTXSID5027192"	"2-Methyl-6-methylene-7-octen-2-ol"	"EPA_DSSTox"	"CC(C)(O)CCCC(=C)C=C"	"?"	"InChI=1S/C10H18O/c1-5-9(2)7-6-8-10(3,4)11/h5,11H,1-2,6-8H2,3-4H3"	"DUNCVNHORHNONW-UHFFFAOYSA-N"	TRUE	FALSE	5.3	1	2
"543-82-8"	"DTXSID8046535"	"2-Amino-6-methylheptane"	"EPA_DSSTox"	"CC(C)CCCC(C)N"	"?"	"InChI=1S/C8H19N/c1-7(2)5-4-6-8(3)9/h7-8H,4-6,9H2,1-3H3"	"QNIVIMYXGGFTAK-UHFFFAOYSA-N"	FALSE	FALSE	538	3	4
"54301-19-8"	NA	NA	"Public_CrossChecked"	"CN1CCC23C4OC5=C2C(CC1C3(O)CCC4N=[N+]=N)=CC=C5O"	"?"	"InChI=1S/C17H20N4O3/c1-21-7-6-16-13-9-2-3-11(22)14(13)24-15(16)10(19-20-18)4-5-17(16,23)12(21)8-9/h2-3,10,12,15,18,23H,4-8H2,1H3/p+1"	"NEKZLAYZWIVAJM-UHFFFAOYSA-O"	FALSE	FALSE	190	2	3
"5431-31-2"	NA	NA	"Public_CrossChecked"	"CCCCCCOC(O)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C14H20O3/c1-2-3-4-8-11-17-14(16)13(15)12-9-6-5-7-10-12/h5-7,9-10,14,16H,2-4,8,11H2,1H3"	"ZYYBZCXCMGQPRF-UHFFFAOYSA-N"	FALSE	TRUE	17000	4	5
"5432-28-0"	"DTXSID40202687"	"N-Nitroso-N-methylcyclohexylamine"	"EPA_DSSTox"	"CN(N=O)C1CCCCC1"	"?"	"InChI=1S/C7H14N2O/c1-9(8-10)7-5-3-2-4-6-7/h7H,2-6H2,1H3"	"KZRHBQXJMQDNEZ-UHFFFAOYSA-N"	TRUE	FALSE	30	1	2
"54335-70-5"	NA	NA	"Public_CrossChecked"	"CC1OCSC1=NOC(=O)NCC=C"	"?"	"InChI=1S/C8H12N2O3S/c1-3-4-9-8(11)13-10-7-6(2)12-5-14-7/h3,6H,1,4-5H2,2H3,(H,9,11)"	"GPGGSTVLQNATJF-UHFFFAOYSA-N"	FALSE	FALSE	453	2	4
"54335-73-8"	NA	NA	"Public_CrossChecked"	"CCNC(=O)ON=C1SCOC1C"	"?"	"InChI=1S/C7H12N2O3S/c1-3-8-7(10)12-9-6-5(2)11-4-13-6/h5H,3-4H2,1-2H3,(H,8,10)"	"FFQZPNGFUKCNIT-UHFFFAOYSA-N"	TRUE	FALSE	28	1	2
"5434-57-1"	"DTXSID9042045"	"Hexyl pivalate"	"EPA_DSSTox"	"CCCCCCOC(=O)C(C)(C)C"	"?"	"InChI=1S/C11H22O2/c1-5-6-7-8-9-13-10(12)11(2,3)4/h5-9H2,1-4H3"	"RQSINLZXJXXKOH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"54350-48-0"	"DTXSID0023036"	"Etretinate"	"EPA_DSSTox"	"COC1C=C(C)C(C=CC(C)=CC=CC(C)=CC(=O)OCC)=C(C)C=1C"	"?"	"InChI=1S/C23H30O3/c1-8-26-23(24)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(25-7)20(6)19(21)5/h9-15H,8H2,1-7H3"	"HQMNCQVAMBCHCO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"5437-98-9"	"DTXSID7044689"	"N-(4-Methoxyphenyl)-3-oxobutanamide"	"EPA_DSSTox"	"CC(=O)CC(=O)NC1C=CC(=CC=1)OC"	"?"	"InChI=1S/C11H13NO3/c1-8(13)7-11(14)12-9-3-5-10(15-2)6-4-9/h3-6H,7H2,1-2H3,(H,12,14)"	"SWAJJKROCOJICG-UHFFFAOYSA-N"	FALSE	FALSE	1700	3	4
"54395-37-8"	"DTXSID8073550"	"1H-Isoindole-1,3(2H)-dione, 2-butyl-5-nitro-"	"EPA_DSSTox"	"CCCCN1C(=O)C2C=C(C=CC=2C1=O)[N+]([O-])=O"	"?"	"InChI=1S/C12H12N2O4/c1-2-3-6-13-11(15)9-5-4-8(14(17)18)7-10(9)12(13)16/h4-5,7H,2-3,6H2,1H3"	"LSVBBJVITBGNFC-UHFFFAOYSA-N"	FALSE	FALSE	1340	3	4
"544-01-4"	"DTXSID8052198"	"Isoamyl ether"	"EPA_DSSTox"	"CC(C)CCOCCC(C)C"	"?"	"InChI=1S/C10H22O/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3"	"AQZGPSLYZOOYQP-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"544-10-5"	"DTXSID1060265"	"1-Chlorohexane"	"EPA_DSSTox"	"CCCCCCCl"	"?"	"InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3"	"MLRVZFYXUZQSRU-UHFFFAOYSA-N"	FALSE	TRUE	7000	4	5
"544-16-1"	"DTXSID8049418"	"N-Butylnitrite"	"EPA_DSSTox"	"CCCCON=O"	"?"	"InChI=1S/C4H9NO2/c1-2-3-4-7-5-6/h2-4H2,1H3"	"JQJPBYFTQAANLE-UHFFFAOYSA-N"	FALSE	FALSE	83	2	3
"544-25-2"	"DTXSID5073909"	"1,3,5-Cycloheptatriene"	"EPA_DSSTox"	"C1C=CC=CC=C1"	"?"	"InChI=1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2"	"CHVJITGCYZJHLR-UHFFFAOYSA-N"	FALSE	FALSE	57	2	3
"544-40-1"	"DTXSID6022058"	"Dibutyl sulfide"	"EPA_DSSTox"	"CCCCSCCCC"	"?"	"InChI=1S/C8H18S/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3"	"HTIRHQRTDBPHNZ-UHFFFAOYSA-N"	FALSE	TRUE	2220	3	5
"544-63-8"	"DTXSID6021666"	"Tetradecanoic acid"	"EPA_DSSTox"	"CCCCCCCCCCCCCC(O)=O"	"?"	"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)"	"TUNFSRHWOTWDNC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"54406-48-3"	"DTXSID2058122"	"Empenthrin"	"EPA_DSSTox"	"CC(C)=CC1C(C(=O)OC(C#C)C(C)=CCC)C1(C)C"	"?"	"InChI=1S/C18H26O2/c1-8-10-13(5)15(9-2)20-17(19)16-14(11-12(3)4)18(16,6)7/h2,10-11,14-16H,8H2,1,3-7H3"	"YUGWDVYLFSETPE-UHFFFAOYSA-N"	FALSE	FALSE	1680	3	4
"54423-67-5"	"DTXSID9068954"	"Vinyl neononanoate"	"EPA_DSSTox"	"CC(C)(C)CCCCC(=O)OC=C"	"?"	"InChI=1S/C11H20O2/c1-5-13-10(12)8-6-7-9-11(2,3)4/h5H,1,6-9H2,2-4H3"	"WBZPMFHFKXZDRZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"5443-49-2"	NA	NA	"Public_CrossChecked"	"O=CC(Br)=CC1C=CC=CC=1"	"?"	"InChI=1S/C9H7BrO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H"	"WQRWNOKNRHCLHV-UHFFFAOYSA-N"	FALSE	FALSE	1450	3	4
"5444-75-7"	"DTXSID4041654"	"2-Ethylhexyl benzoate"	"EPA_DSSTox"	"CCCCC(COC(=O)C1C=CC=CC=1)CC"	"?"	"InChI=1S/C15H22O2/c1-3-5-9-13(4-2)12-17-15(16)14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3"	"UADWUILHKRXHMM-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"54460-46-7"	"DTXSID2058124"	"Cycloprate"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCOC(=O)C1CC1"	"?"	"InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-20(21)19-16-17-19/h19H,2-18H2,1H3"	"NSCKKHGFMYTPBG-UHFFFAOYSA-N"	FALSE	TRUE	12200	4	5
"54473-30-2"	NA	NA	"Public_CrossChecked"	"COP(=O)(NC=O)SC"	"?"	"InChI=1S/C3H8NO3PS/c1-7-8(6,9-2)4-3-5/h3H,1-2H3,(H,4,5,6)"	"IFVHRHHATUYMKQ-UHFFFAOYSA-N"	FALSE	FALSE	190	2	3
"54473-31-3"	NA	NA	"Public_CrossChecked"	"COP(=O)(SC)N(C)C(C)=O"	"?"	"InChI=1S/C5H12NO3PS/c1-5(7)6(2)10(8,9-3)11-4/h1-4H3"	"DWGPMTLLOKNPFZ-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"54473-33-5"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCCCC(=O)NP(=O)(OC)SC"	"?"	"InChI=1S/C14H30NO3PS/c1-4-5-6-7-8-9-10-11-12-13-14(16)15-19(17,18-2)20-3/h4-13H2,1-3H3,(H,15,16,17)"	"JHBSZXRSSGGOTH-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"54473-41-5"	NA	NA	"Public_CrossChecked"	"COP(=O)(NC(=O)CCCCl)SC"	"?"	"InChI=1S/C6H13ClNO3PS/c1-11-12(10,13-2)8-6(9)4-3-5-7/h3-5H2,1-2H3,(H,8,9,10)"	"ZYKXRUCOWBVUDD-UHFFFAOYSA-N"	TRUE	FALSE	3	1	1
"54473-43-7"	NA	NA	"Public_CrossChecked"	"COP(=O)(NC(=O)COC)SC"	"?"	"InChI=1S/C5H12NO4PS/c1-9-4-5(7)6-11(8,10-2)12-3/h4H2,1-3H3,(H,6,7,8)"	"ONGQFSMBGBCMGY-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"54473-51-7"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCCCCCC(=O)NP(=O)(OC)SC"	"?"	"InChI=1S/C16H34NO3PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17-21(19,20-2)22-3/h4-15H2,1-3H3,(H,17,18,19)"	"BIQHHIJFQYSMND-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"54473-52-8"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCCCCCCCCCC(=O)NP(=O)(OC)SC"	"?"	"InChI=1S/C20H42NO3PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21-25(23,24-2)26-3/h4-19H2,1-3H3,(H,21,22,23)"	"HKXKOZCKLOHCMQ-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"54473-56-2"	NA	NA	"Public_CrossChecked"	"CCC(=O)NP(=O)(OC)SCC#C"	"?"	"InChI=1S/C7H12NO3PS/c1-4-6-13-12(10,11-3)8-7(9)5-2/h1H,5-6H2,2-3H3,(H,8,9,10)"	"DHZAMBXHEVGKRJ-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"545-55-1"	"DTXSID4052716"	"Tri(aziridin-1-yl)phosphine oxide"	"EPA_DSSTox"	"O=P(N1CC1)(N1CC1)N1CC1"	"?"	"InChI=1S/C6H12N3OP/c10-11(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2"	"FYAMXEPQQLNQDM-UHFFFAOYSA-N"	TRUE	FALSE	37	1	2
"54504-70-0"	"DTXSID0023032"	"Etofylline clofibrate"	"EPA_DSSTox"	"CN1C(=O)C2=C(N=CN2CCOC(=O)C(C)(C)OC2C=CC(Cl)=CC=2)N(C)C1=O"	"?"	"InChI=1S/C19H21ClN4O5/c1-19(2,29-13-7-5-12(20)6-8-13)17(26)28-10-9-24-11-21-15-14(24)16(25)23(4)18(27)22(15)3/h5-8,11H,9-10H2,1-4H3"	"KYAKGJDISSNVPZ-UHFFFAOYSA-N"	FALSE	TRUE	17000	4	5
"54527-84-3"	"DTXSID9046992"	"Nicardipine hydrochloride"	"EPA_DSSTox"	"COC(=O)C1C(C(C(=O)OCCN(C)CC2C=CC=CC=2)=C(C)NC=1C)C1=CC(=CC=C1)[N+]([O-])=O"	"Cl"	"InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3"	"ZBBHBTPTTSWHBA-UHFFFAOYSA-N"	FALSE	FALSE	184	2	3
"54546-26-8"	"DTXSID0052205"	"2-Butyl-4,4,6-trimethyl-1,3-dioxane"	"EPA_DSSTox"	"CC1CC(C)(C)OC(CCCC)O1"	"?"	"InChI=1S/C11H22O2/c1-5-6-7-10-12-9(2)8-11(3,4)13-10/h9-10H,5-8H2,1-4H3"	"QUBNQDBPPTZYJL-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"5455-98-1"	"DTXSID00884165"	"1H-Isoindole-1,3(2H)-dione, 2-(2-oxiranylmethyl)-"	"EPA_DSSTox"	"O=C1C2C=CC=CC=2C(=O)N1CC1CO1"	"?"	"InChI=1S/C11H9NO3/c13-10-8-3-1-2-4-9(8)11(14)12(10)5-7-6-15-7/h1-4,7H,5-6H2"	"DUILGEYLVHGSEE-UHFFFAOYSA-N"	FALSE	TRUE	4700	3	5
"5456-05-3"	"DTXSID9063908"	"1,3,2-Dioxaborinane, 2,2'-[2,2-dimethyl-1,3-propanediylbis(oxy)]bis[5,5-dimethyl-"	"EPA_DSSTox"	"CC1(C)COB(OCC(C)(C)COB2OCC(C)(C)CO2)OC1"	"?"	"InChI=1S/C15H30B2O6/c1-13(2,7-18-16-20-9-14(3,4)10-21-16)8-19-17-22-11-15(5,6)12-23-17/h7-12H2,1-6H3"	"ZKEFAWFRBQUXIT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"54573-75-0"	"DTXSID1034214"	"1-alpha-Hydroxyergocalciferol"	"EPA_DSSTox"	"CC(C)C(C)C=CC(C)C1CCC2C(CCCC21C)=CC=C1CC(O)CC(O)C1=C"	"?"	"InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3"	"HKXBNHCUPKIYDM-UHFFFAOYSA-N"	TRUE	FALSE	3.5	1	1
"5459-58-5"	"DTXSID1044439"	"Butyl cyanoacetate"	"EPA_DSSTox"	"CCCCOC(=O)CC#N"	"?"	"InChI=1S/C7H11NO2/c1-2-3-6-10-7(9)4-5-8/h2-4,6H2,1H3"	"DJACTCNGCHPGOI-UHFFFAOYSA-N"	FALSE	TRUE	4180	3	5
"5459-90-5"	"DTXSID50203024"	"2-Chloroallylidene-3,3-diacetate"	"EPA_DSSTox"	"CC(=O)OC(OC(C)=O)C(=C)Cl"	"?"	"InChI=1S/C7H9ClO4/c1-4(8)7(11-5(2)9)12-6(3)10/h7H,1H2,2-3H3"	"PPHOKWJFQIHKNR-UHFFFAOYSA-N"	FALSE	FALSE	320	2	4
"5459-93-8"	"DTXSID8063913"	"N-Ethylcyclohexylamine"	"EPA_DSSTox"	"CCNC1CCCCC1"	"?"	"InChI=1S/C8H17N/c1-2-9-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3"	"AGVKXDPPPSLISR-UHFFFAOYSA-N"	FALSE	FALSE	590	3	4
"54593-83-8"	"DTXSID2032344"	"Chlorethoxyfos"	"EPA_DSSTox"	"CCOP(=S)(OC(Cl)C(Cl)(Cl)Cl)OCC"	"?"	"InChI=1S/C6H11Cl4O3PS/c1-3-11-14(15,12-4-2)13-5(7)6(8,9)10/h5H,3-4H2,1-2H3"	"XFDJMIHUAHSGKG-UHFFFAOYSA-N"	TRUE	FALSE	1.8	1	1
"546-80-5"	"DTXSID3026148"	"alpha-Thujone"	"EPA_DSSTox"	"CC(C)C12CC1C(C)C(=O)C2"	"?"	"InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3"	"USMNOWBWPHYOEA-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"546-88-3"	"DTXSID7022546"	"Acetohydroxamic acid"	"EPA_DSSTox"	"CC(=O)NO"	"?"	"InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)"	"RRUDCFGSUDOHDG-UHFFFAOYSA-N"	FALSE	TRUE	4800	3	5
"546-93-0"	"DTXSID4049660"	"Magnesium carbonate (1:1)"	"EPA_DSSTox"	"OC(O)=O"	"[Mg+2]"	"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)"	"BVKZGUZCCUSVTD-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"54622-43-4"	"DTXSID20203056"	"DPF 1"	"EPA_DSSTox"	"OC(CN(CP(O)(O)=O)CP(O)(O)=O)CN(CP(O)(O)=O)CP(O)(O)=O"	"?"	"InChI=1S/C7H22N2O13P4/c10-7(1-8(3-23(11,12)13)4-24(14,15)16)2-9(5-25(17,18)19)6-26(20,21)22/h7,10H,1-6H2,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)"	"GWGQWFHTAOMUBD-UHFFFAOYSA-N"	FALSE	TRUE	4300	3	5
"5465-00-9"	"DTXSID30203103"	"Acetamide, N-ethyl-2-phenyl- (7CI)"	"EPA_DSSTox"	"CCNC(=O)CC1C=CC=CC=1"	"?"	"InChI=1S/C10H13NO/c1-2-11-10(12)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)"	"QDHFDXDMKYJPSC-UHFFFAOYSA-N"	FALSE	FALSE	756	3	4
"54660-00-3"	"DTXSID2068971"	"Pyrrolo[3,4-c]pyrrole-1,4-dione, 2,5-dihydro-3,6-diphenyl-"	"EPA_DSSTox"	"O=C1NC(=C2C1=C(NC2=O)C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C18H12N2O2/c21-17-13-14(16(20-17)12-9-5-2-6-10-12)18(22)19-15(13)11-7-3-1-4-8-11/h1-10H,(H,19,22)(H,20,21)"	"UWHBZLMSPZBZHY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"54663-47-7"	NA	NA	"Public_CrossChecked"	"C[N+](CCSC1CC(=NC2C=CC=CC=2N=1)C1C=CC(=CC=1)SC1C=CC=CC=1)(CC)CC"	"[I-]"	"InChI=1S/C28H32N3S2/c1-4-31(3,5-2)19-20-32-28-21-27(29-25-13-9-10-14-26(25)30-28)22-15-17-24(18-16-22)33-23-11-7-6-8-12-23/h6-18H,4-5,19-21H2,1-3H3/q+1"	"MAJFXTGRPADJLU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"547-58-0"	"DTXSID60883437"	"Benzenesulfonic acid, 4-[2-[4-(dimethylamino)phenyl]diazenyl]-, sodium salt (1:1)"	"EPA_DSSTox"	"CN(C)C1C=CC(=CC=1)N=NC1C=CC(=CC=1)S(O)(=O)=O"	"[Na+]"	"InChI=1S/C14H15N3O3S/c1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)21(18,19)20/h3-10H,1-2H3,(H,18,19,20)"	"IETWCRRCPURZOC-UHFFFAOYSA-N"	FALSE	FALSE	60	2	3
"547-64-8"	"DTXSID0027197"	"Methyl 2-hydroxypropanoate"	"EPA_DSSTox"	"COC(=O)C(C)O"	"?"	"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3"	"LPEKGGXMPWTOCB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"54708-51-9"	NA	NA	"Public_CrossChecked"	"CN(C)C(=O)C1C=C(OC)N(N=1)C1=CC(Cl)=CC=C1"	"?"	"InChI=1S/C13H14ClN3O2/c1-16(2)13(18)11-8-12(19-3)17(15-11)10-6-4-5-9(14)7-10/h4-8H,1-3H3"	"XVCQBERSJBUIEB-UHFFFAOYSA-N"	FALSE	FALSE	790	3	4
"54708-68-8"	"DTXSID80203173"	"1-(3-Chlorophenyl)-5-methoxy-3-(N-methylcarbamoyl)pyrazole"	"EPA_DSSTox"	"CNC(=O)C1C=C(OC)N(N=1)C1C=C(Cl)C=CC=1"	"?"	"InChI=1S/C12H12ClN3O2/c1-14-12(17)10-7-11(18-2)16(15-10)9-5-3-4-8(13)6-9/h3-7H,1-2H3,(H,14,17)"	"FBCZATUQGDWDIU-UHFFFAOYSA-N"	FALSE	FALSE	1540	3	4
"5471-51-2"	"DTXSID5044495"	"4-(4-Hydroxyphenyl)butan-2-one"	"EPA_DSSTox"	"CC(=O)CCC1C=CC(O)=CC=1"	"?"	"InChI=1S/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3H2,1H3"	"NJGBTKGETPDVIK-UHFFFAOYSA-N"	FALSE	FALSE	1320	3	4
"54767-75-8"	"DTXSID4045638"	"Suloctdil"	"EPA_DSSTox"	"CC(C)SC1=CC=C(C=C1)C(O)C(C)NCCCCCCCC"	"?"	"InChI=1S/C20H35NOS/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3/h11-14,16-17,20-22H,5-10,15H2,1-4H3"	"BFCDFTHTSVTWOG-UHFFFAOYSA-N"	FALSE	FALSE	1740	3	4
"54778-70-0"	"DTXSID60203252"	"1,3-Indandione, 2-(1-(2-methoxyethyl)-4(1H)-pyridinylidene)-"	"EPA_DSSTox"	"COCCN1C=CC(C=C1)=C1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C17H15NO3/c1-21-11-10-18-8-6-12(7-9-18)15-16(19)13-4-2-3-5-14(13)17(15)20/h2-9H,10-11H2,1H3"	"WMLMXIHPRJKWFA-UHFFFAOYSA-N"	FALSE	FALSE	350	2	4
"548-00-5"	"DTXSID3057771"	"Ethyl biscoumacetate"	"EPA_DSSTox"	"CCOC(=O)C(C1C(=O)OC2C=CC=CC=2C=1O)C1C(=O)OC2C=CC=CC=2C=1O"	"?"	"InChI=1S/C22H16O8/c1-2-28-20(25)15(16-18(23)11-7-3-5-9-13(11)29-21(16)26)17-19(24)12-8-4-6-10-14(12)30-22(17)27/h3-10,15,23-24H,2H2,1H3"	"JCLHQFUTFHUXNN-UHFFFAOYSA-N"	FALSE	FALSE	840	3	4
"548-62-9"	"DTXSID5020653"	"Gentian Violet"	"EPA_DSSTox"	"C[N+](C)=C1C=CC(C=C1)=C(C1C=CC(=CC=1)N(C)C)C1C=CC(=CC=1)N(C)C"	"[Cl-]"	"InChI=1S/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3/q+1"	"LGLFFNDHMLKUMI-UHFFFAOYSA-N"	FALSE	FALSE	420	2	4
"548-73-2"	"DTXSID6022973"	"Droperidol"	"EPA_DSSTox"	"O=C1NC2=CC=CC=C2N1C1CCN(CC=1)CCCC(=O)C1C=CC(F)=CC=1"	"?"	"InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)"	"RMEDXOLNCUSCGS-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"548-84-5"	NA	NA	"Public_CrossChecked"	"CN(C)C1C=CC2=C(C=CC(/C=C/C3C=C(C)N(C4=CC=CC=C4)C=3C)=[N+]2C)C=1"	"[Cl-]"	"InChI=1S/C26H28N3/c1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5/h6-18H,1-5H3/q+1"	"QMHSXPLYMTVAMK-UHFFFAOYSA-N"	FALSE	FALSE	161	2	3
"54839-24-6"	NA	NA	"Public_CrossChecked"	"CCOCC(C)OC(C)=O"	"?"	"InChI=1S/C7H14O3/c1-4-9-5-6(2)10-7(3)8/h6H,4-5H2,1-3H3"	"LIPRQQHINVWJCH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"54856-23-4"	"DTXSID1045588"	"Betahistine mesylate"	"EPA_DSSTox"	"CNCCC1C=CC=CN=1"	"CS(O)(=O)=O"	"InChI=1S/C8H12N2/c1-9-7-5-8-4-2-3-6-10-8/h2-4,6,9H,5,7H2,1H3"	"UUQMNUMQCIQDMZ-UHFFFAOYSA-N"	FALSE	TRUE	3030	3	5
"5486-77-1"	"DTXSID9048853"	"Alloclamide"	"EPA_DSSTox"	"CCN(CCNC(=O)C1C=CC(Cl)=CC=1OCC=C)CC"	"?"	"InChI=1S/C16H23ClN2O2/c1-4-11-21-15-12-13(17)7-8-14(15)16(20)18-9-10-19(5-2)6-3/h4,7-8,12H,1,5-6,9-11H2,2-3H3,(H,18,20)"	"UHWFVIPXDFZTFA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"54903-57-0"	"DTXSID70203420"	"Ethanone, 1-(3-hydroxy-4-(methylamino)phenyl)-"	"EPA_DSSTox"	"CC(=O)C1C=CC(NC)=C(O)C=1"	"?"	"InChI=1S/C9H11NO2/c1-6(11)7-3-4-8(10-2)9(12)5-7/h3-5,10,12H,1-2H3"	"GYGQWBBAWJBKRW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"54903-59-2"	"DTXSID90203422"	"JPB 13"	"EPA_DSSTox"	"CNC1C=CC(=CC=1O)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C14H13NO2/c1-15-12-8-7-11(9-13(12)16)14(17)10-5-3-2-4-6-10/h2-9,15-16H,1H3"	"XVIIAMVONPQTRS-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"54903-60-5"	"DTXSID50203423"	"Methanone, (3-hydroxy-4-(methylamino)phenyl)-2-thienyl-"	"EPA_DSSTox"	"CNC1C=CC(=CC=1O)C(=O)C1=CC=CS1"	"?"	"InChI=1S/C12H11NO2S/c1-13-9-5-4-8(7-10(9)14)12(15)11-3-2-6-16-11/h2-7,13-14H,1H3"	"KIIJGIYMXVTMAM-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"54903-63-8"	"DTXSID30203426"	"2(3H)-Benzoxazolone, 6-benzoyl-3-methyl-"	"EPA_DSSTox"	"CN1C2C=CC(=CC=2OC1=O)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C15H11NO3/c1-16-12-8-7-11(9-13(12)19-15(16)18)14(17)10-5-3-2-4-6-10/h2-9H,1H3"	"NOEMWSDYOPTWHP-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"54903-65-0"	"DTXSID50203428"	"2(3H)-Benzoxazolone, 3-methyl-6-(2-thienylcarbonyl)-"	"EPA_DSSTox"	"CN1C2C=CC(=CC=2OC1=O)C(=O)C1=CC=CS1"	"?"	"InChI=1S/C13H9NO3S/c1-14-9-5-4-8(7-10(9)17-13(14)16)12(15)11-3-2-6-18-11/h2-7H,1H3"	"XWGUSRYBMKNQCK-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"54910-89-3"	"DTXSID7023067"	"(+/-) -Fluoxetine"	"EPA_DSSTox"	"CNCCC(OC1C=CC(=CC=1)C(F)(F)F)C1C=CC=CC=1"	"?"	"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"	FALSE	FALSE	825	3	4
"54935-04-5"	"DTXSID40203452"	"Sulisatin disodium salt"	"EPA_DSSTox"	"CC1=CC=CC2=C1NC(=O)C2(C1C=CC(=CC=1)OS(O)(=O)=O)C1C=CC(=CC=1)OS(O)(=O)=O"	"[Na+].[Na+]"	"InChI=1S/C21H17NO9S2/c1-13-3-2-4-18-19(13)22-20(23)21(18,14-5-9-16(10-6-14)30-32(24,25)26)15-7-11-17(12-8-15)31-33(27,28)29/h2-12H,1H3,(H,22,23)(H,24,25,26)(H,27,28,29)"	"URNFTLVCQLRCMN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"54941-66-1"	NA	NA	"Public_CrossChecked"	"OC1(C2C=CC=CC=2C2=NCCN12)C1C=CC(=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C22H18N2O/c25-22(18-12-10-17(11-13-18)16-6-2-1-3-7-16)20-9-5-4-8-19(20)21-23-14-15-24(21)22/h1-13,25H,14-15H2"	"RCJJPMUSLRERST-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"54941-67-2"	NA	NA	"Public_CrossChecked"	"OC1(C2=CC=CS2)C2C=CC=CC=2C2=NCCN12"	"?"	"InChI=1S/C14H12N2OS/c17-14(12-6-3-9-18-12)11-5-2-1-4-10(11)13-15-7-8-16(13)14/h1-6,9,17H,7-8H2"	"QKNPGVNMGIVELF-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"54941-79-6"	"DTXSID60203459"	"1H-Imidazole, 4,5-dihydro-1-((4-chlorophenyl)methyl)-2-phenyl-, monohydrochloride"	"EPA_DSSTox"	"ClC1=CC=C(CN2CCN=C2C2C=CC=CC=2)C=C1"	"Cl"	"InChI=1S/C16H15ClN2/c17-15-8-6-13(7-9-15)12-19-11-10-18-16(19)14-4-2-1-3-5-14/h1-9H,10-12H2"	"COGQMVFTYVICRE-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"54941-80-9"	NA	NA	"Public_CrossChecked"	"O=C(C1C=CC(Cl)=CC=1)N1CCN=C1C1C=CC=CC=1"	"?"	"InChI=1S/C16H13ClN2O/c17-14-8-6-13(7-9-14)16(20)19-11-10-18-15(19)12-4-2-1-3-5-12/h1-9H,10-11H2"	"NZWXOWUIMBDPNR-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"54941-81-0"	"DTXSID70203460"	"1H-Imidazole, 1-((4-chlorophenyl)methyl)-2-phenyl-"	"EPA_DSSTox"	"ClC1C=CC(CN2C=CN=C2C2C=CC=CC=2)=CC=1"	"?"	"InChI=1S/C16H13ClN2/c17-15-8-6-13(7-9-15)12-19-11-10-18-16(19)14-4-2-1-3-5-14/h1-11H,12H2"	"UWOPOTLAMWFICY-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"5496-04-8"	NA	NA	"Public_CrossChecked"	"CC1=NN(C(=O)C1=CN1CCCCC1)C1C=CC=CC=1"	"?"	"InChI=1S/C16H19N3O/c1-13-15(12-18-10-6-3-7-11-18)16(20)19(17-13)14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3"	"CPRWWCPKEGAJNJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"54965-21-8"	"DTXSID0022563"	"Albendazole"	"EPA_DSSTox"	"CCCSC1C=C2N=C(NC(=O)OC)NC2=CC=1"	"?"	"InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)"	"HXHWSAZORRCQMX-UHFFFAOYSA-N"	FALSE	TRUE	2400	3	5
"54965-24-1"	"DTXSID8021301"	"Tamoxifen citrate"	"EPA_DSSTox"	"CCC(=C(C1C=CC=CC=1)C1C=CC(=CC=1)OCCN(C)C)C1C=CC=CC=1"	"C(C(O)=O)(CC(O)=O)(O)CC(=O)O"	"InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3"	"NKANXQFJJICGDU-UHFFFAOYSA-N"	FALSE	FALSE	1190	3	4
"55-18-5"	"DTXSID2021028"	"N-Nitrosodiethylamine"	"EPA_DSSTox"	"CCN(CC)N=O"	"?"	"InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3"	"WBNQDOYYEUMPFS-UHFFFAOYSA-N"	FALSE	FALSE	220	2	3
"55-22-1"	"DTXSID8020757"	"Isonicotinic acid"	"EPA_DSSTox"	"OC(=O)C1C=CN=CC=1"	"?"	"InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)"	"TWBYWOBDOCUKOW-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"55-31-2"	"DTXSID1020568"	"l-Epinephrine hydrochloride"	"EPA_DSSTox"	"CNCC(O)C1=CC(O)=C(O)C=C1"	"Cl"	"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3"	"UCTWMZQNUQWSLP-UHFFFAOYSA-N"	TRUE	FALSE	24	1	2
"55-37-8"	"DTXSID8075336"	"Phosphorothioic acid, O-[3,5-dimethyl-4-(methylthio)phenyl] O,O-dimethyl ester"	"EPA_DSSTox"	"CC1C=C(C=C(C)C=1SC)OP(=S)(OC)OC"	"?"	"InChI=1S/C11H17O3PS2/c1-8-6-10(7-9(2)11(8)17-5)14-15(16,12-3)13-4/h6-7H,1-5H3"	"QJRJJAATXDHPGQ-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"55-38-9"	"DTXSID8020620"	"Fenthion"	"EPA_DSSTox"	"CC1C=C(C=CC=1SC)OP(=S)(OC)OC"	"?"	"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"	FALSE	FALSE	180	2	3
"55-56-1"	"DTXSID2033314"	"Chlorhexidine"	"EPA_DSSTox"	"[H]/N=C(\NC1C=CC(Cl)=CC=1)/N/C(/NCCCCCCN/C(/N/C(/NC1C=CC(Cl)=CC=1)=N/[H])=N/[H])=N\[H]"	"?"	"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"	FALSE	FALSE	1180	3	4
"55-63-0"	"DTXSID1021407"	"Trinitroglycerin"	"EPA_DSSTox"	"[O-][N+](=O)OC(CO[N+]([O-])=O)CO[N+]([O-])=O"	"?"	"InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2"	"SNIOPGDIGTZGOP-UHFFFAOYSA-N"	FALSE	FALSE	105	2	3
"55-65-2"	"DTXSID5023116"	"Guanethidine"	"EPA_DSSTox"	"[H]/N=C(\N)/NCCN1CCCCCCC1"	"?"	"InChI=1S/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,12,13)"	"ACGDKVXYNVEAGU-UHFFFAOYSA-N"	FALSE	FALSE	1050	3	4
"55-80-1"	"DTXSID8020838"	"3'-Methyl-4-dimethylaminoazobenzene"	"EPA_DSSTox"	"CC1C=C(C=CC=1)N=NC1C=CC(=CC=1)N(C)C"	"?"	"InChI=1S/C15H17N3/c1-12-5-4-6-14(11-12)17-16-13-7-9-15(10-8-13)18(2)3/h4-11H,1-3H3"	"LVTFSVIRYMXRSR-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"55-86-7"	"DTXSID8025757"	"Nitrogen mustard hydrochloride"	"EPA_DSSTox"	"CN(CCCl)CCCl"	"Cl"	"InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3"	"HAWPXGHAZFHHAD-UHFFFAOYSA-N"	TRUE	FALSE	10	1	2
"550-28-7"	"DTXSID40203538"	"Amisometradine [INN:BAN:NF]"	"EPA_DSSTox"	"CN1C(=O)N(CC(C)=C)C(N)=CC1=O"	"?"	"InChI=1S/C9H13N3O2/c1-6(2)5-12-7(10)4-8(13)11(3)9(12)14/h4H,1,5,10H2,2-3H3"	"FXNYSZHYMGWWEZ-UHFFFAOYSA-N"	FALSE	FALSE	1560	3	4
"550-53-8"	NA	NA	"Public_CrossChecked"	"CC(C)NC(C)C(O)C1C=C(C=CC=1OC)OC"	"?"	"InChI=1S/C14H23NO3/c1-9(2)15-10(3)14(16)12-8-11(17-4)6-7-13(12)18-5/h6-10,14-16H,1-5H3"	"YZXKGCIDSYWQIV-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"5504-68-7"	"DTXSID90203588"	"7H-Benzimidazo(2,1-a)benz(de)isoquinolin-7-one, 10-methyl-"	"EPA_DSSTox"	"CC1=CC2=C(C=C1)N=C1C3C=CC=C4C=CC=C(C(=O)N21)C4=3"	"?"	"InChI=1S/C19H12N2O/c1-11-8-9-15-16(10-11)21-18(20-15)13-6-2-4-12-5-3-7-14(17(12)13)19(21)22/h2-10H,1H3"	"ZLFVODKBPKTDSK-UHFFFAOYSA-N"	FALSE	TRUE	9490	4	5
"55066-48-3"	"DTXSID4044822"	"3-Methyl-5-phenylpentan-1-ol"	"EPA_DSSTox"	"CC(CCO)CCC1C=CC=CC=1"	"?"	"InChI=1S/C12H18O/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3"	"OXYRENDGHPGWKV-UHFFFAOYSA-N"	FALSE	FALSE	1850	3	4
"551-36-0"	NA	NA	"Public_CrossChecked"	"CC(N)C1(C)CCCO1"	"?"	"InChI=1S/C7H15NO/c1-6(8)7(2)4-3-5-9-7/h6H,3-5,8H2,1-2H3"	"UFPMZIIIABNSEL-UHFFFAOYSA-N"	FALSE	FALSE	130	2	3
"55134-13-9"	"DTXSID2046707"	"Narasin"	"EPA_DSSTox"	"CC1(CCC2(O1)OC1(C=CC2O)OC(C(CC)C(=O)C(C)C(O)C(C)C2OC(C(CC)C(O)=O)C(C)CC2C)C(C)CC1C)C1CCC(O)(CC)C(C)O1"	"?"	"InChI=1S/C43H72O11/c1-12-30(35(46)27(8)34(45)28(9)36-23(4)21-24(5)37(51-36)31(13-2)39(47)48)38-25(6)22-26(7)42(52-38)18-15-32(44)43(54-42)20-19-40(11,53-43)33-16-17-41(49,14-3)29(10)50-33/h15,18,23-34,36-38,44-45,49H,12-14,16-17,19-22H2,1-11H3,(H,47,48)"	"VHKXXVVRRDYCIK-UHFFFAOYSA-N"	TRUE	FALSE	18.5	1	2
"55142-85-3"	"DTXSID5023669"	"Ticlopidine"	"EPA_DSSTox"	"ClC1=CC=CC=C1CN1CC2C=CSC=2CC1"	"?"	"InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2"	"PHWBOXQYWZNQIN-UHFFFAOYSA-N"	FALSE	FALSE	1780	3	4
"55179-31-2"	"DTXSID2037502"	"Bitertanol"	"EPA_DSSTox"	"CC(C)(C)C(O)C(OC1=CC=C(C=C1)C1=CC=CC=C1)N1C=NC=N1"	"?"	"InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3"	"VGPIBGGRCVEHQZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"55203-12-8"	"DTXSID90203700"	"Propanedioic acid, (carboxymethoxy)-"	"EPA_DSSTox"	"OC(=O)COC(C(O)=O)C(O)=O"	"?"	"InChI=1S/C5H6O7/c6-2(7)1-12-3(4(8)9)5(10)11/h3H,1H2,(H,6,7)(H,8,9)(H,10,11)"	"LVVZBNKWTVZSIU-UHFFFAOYSA-N"	FALSE	TRUE	3600	3	5
"5521-31-3"	"DTXSID9029273"	"C.I. Pigment Red 179"	"EPA_DSSTox"	"CN1C(=O)C2C=CC3=C4C=2C(=CC=C4C2=CC=C4C5C2=C3C=CC=5C(=O)N(C)C4=O)C1=O"	"?"	"InChI=1S/C26H14N2O4/c1-27-23(29)15-7-3-11-13-5-9-17-22-18(26(32)28(2)25(17)31)10-6-14(20(13)22)12-4-8-16(24(27)30)21(15)19(11)12/h3-10H,1-2H3"	"PJQYNUFEEZFYIS-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"55232-76-3"	"DTXSID70203743"	"Benzenecarboximidamide, N-cyclohexyl-N'-(3,4-dichlorophenyl)-, monohydrochloride"	"EPA_DSSTox"	"ClC1=CC=C(C=C1Cl)N/C(=N/C1CCCCC1)/C1C=CC=CC=1"	"Cl"	"InChI=1S/C19H20Cl2N2/c20-17-12-11-16(13-18(17)21)23-19(14-7-3-1-4-8-14)22-15-9-5-2-6-10-15/h1,3-4,7-8,11-13,15H,2,5-6,9-10H2,(H,22,23)"	"VQORCWXQOXTUKY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"55232-78-5"	"DTXSID90203745"	"Benzenecarboximidamide, N-cyclohexyl-N'-(2,4-dichlorophenyl)-, monohydrochloride"	"EPA_DSSTox"	"ClC1C=C(Cl)C=CC=1N/C(=N/C1CCCCC1)/C1C=CC=CC=1"	"Cl"	"InChI=1S/C19H20Cl2N2/c20-15-11-12-18(17(21)13-15)23-19(14-7-3-1-4-8-14)22-16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2,(H,22,23)"	"QIKNHLIBPAEWRI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"55232-79-6"	"DTXSID50203746"	"Benzenecarboximidamide, N-(4-bromophenyl)-N'-cyclohexyl-, monohydrochloride"	"EPA_DSSTox"	"BrC1C=CC(=CC=1)N/C(=N/C1CCCCC1)/C1C=CC=CC=1"	"Cl"	"InChI=1S/C19H21BrN2/c20-16-11-13-18(14-12-16)22-19(15-7-3-1-4-8-15)21-17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17H,2,5-6,9-10H2,(H,21,22)"	"JQGSUUQCCYJLDE-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"55232-80-9"	"DTXSID10203747"	"Benzenecarboximidamide, N-(5-chloro-2-methoxyphenyl)-N'-cyclohexyl-, monohydrochloride, hydrate"	"EPA_DSSTox"	"COC1C=CC(Cl)=CC=1N/C(=N/C1CCCCC1)/C1C=CC=CC=1"	"Cl"	"InChI=1S/C20H23ClN2O/c1-24-19-13-12-16(21)14-18(19)23-20(15-8-4-2-5-9-15)22-17-10-6-3-7-11-17/h2,4-5,8-9,12-14,17H,3,6-7,10-11H2,1H3,(H,22,23)"	"BHLTVTDCSWCODU-UHFFFAOYSA-N"	FALSE	FALSE	625	3	4
"55232-81-0"	"DTXSID70203748"	"Benzenecarboximidamide, N-(5-chloro-2-methoxyphenyl)-N'-cyclohexyl-2-methyl-, monohydrochloride"	"EPA_DSSTox"	"CC1C=CC=CC=1/C(/NC1C=C(Cl)C=CC=1OC)=N\C1CCCCC1"	"Cl"	"InChI=1S/C21H25ClN2O/c1-15-8-6-7-11-18(15)21(23-17-9-4-3-5-10-17)24-19-14-16(22)12-13-20(19)25-2/h6-8,11-14,17H,3-5,9-10H2,1-2H3,(H,23,24)"	"JMRTXFNDTQHLCV-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"55242-55-2"	"DTXSID4045189"	"Propentofylline"	"EPA_DSSTox"	"CN1C2N=CN(CCC)C=2C(=O)N(CCCCC(C)=O)C1=O"	"?"	"InChI=1S/C15H22N4O3/c1-4-8-18-10-16-13-12(18)14(21)19(15(22)17(13)3)9-6-5-7-11(2)20/h10H,4-9H2,1-3H3"	"RBQOQRRFDPXAGN-UHFFFAOYSA-N"	FALSE	FALSE	940	3	4
"55268-75-2"	"DTXSID5022774"	"Cefuroxime"	"EPA_DSSTox"	"CON=C(C1=CC=CO1)C(=O)NC1C2SCC(COC(N)=O)=C(C(O)=O)N2C1=O"	"?"	"InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)"	"JFPVXVDWJQMJEE-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"55285-14-8"	"DTXSID5023950"	"Carbosulfan"	"EPA_DSSTox"	"CN(SN(CCCC)CCCC)C(=O)OC1C=CC=C2CC(C)(C)OC2=1"	"?"	"InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3"	"JLQUFIHWVLZVTJ-UHFFFAOYSA-N"	FALSE	FALSE	51	2	3
"55290-64-7"	"DTXSID0024052"	"Dimethipin"	"EPA_DSSTox"	"CC1=C(C)S(=O)(=O)CCS1(=O)=O"	"?"	"InChI=1S/C6H10O4S2/c1-5-6(2)12(9,10)4-3-11(5,7)8/h3-4H2,1-2H3"	"PHVNLLCAQHGNKU-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"55294-15-0"	NA	NA	"Public_CrossChecked"	"CC(C1C=C(Cl)C(Cl)=CC=1)N1N=C(N)C=C1O"	"?"	"InChI=1S/C11H11Cl2N3O/c1-6(16-11(17)5-10(14)15-16)7-2-3-8(12)9(13)4-7/h2-6,17H,1H3,(H2,14,15)"	"DRDCAIJCJJOBAD-UHFFFAOYSA-N"	FALSE	FALSE	1559	3	4
"55297-95-5"	"DTXSID2046701"	"Tiamulin"	"EPA_DSSTox"	"CC1(CC(OC(=O)CSCCN(CC)CC)C2(C)C3C(=O)CCC3(CCC2C)C(C)C1O)C=C"	"?"	"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"	FALSE	TRUE	2230	3	5
"553-26-4"	"DTXSID2027200"	"4,4'-Bipyridine"	"EPA_DSSTox"	"C1=CN=CC=C1C1C=CN=CC=1"	"?"	"InChI=1S/C10H8N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8H"	"MWVTWFVJZLCBMC-UHFFFAOYSA-N"	FALSE	FALSE	172	2	3
"553-86-6"	"DTXSID70203829"	"(3H)-Benzofuran-2-one"	"EPA_DSSTox"	"O=C1CC2C=CC=CC=2O1"	"?"	"InChI=1S/C8H6O2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4H,5H2"	"ACZGCWSMSTYWDQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"55314-16-4"	NA	NA	"Public_CrossChecked"	"CN(C)C=CC(=O)C1C=CC=NC=1"	"?"	"InChI=1S/C10H12N2O/c1-12(2)7-5-10(13)9-4-3-6-11-8-9/h3-8H,1-2H3"	"MZLRFUCMBQWLNV-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	NA
"55316-22-8"	NA	NA	"Public_CrossChecked"	"O=C1SCCC1NC(=O)C1=CN=CC=C1"	"?"	"InChI=1S/C10H10N2O2S/c13-9(7-2-1-4-11-6-7)12-8-3-5-15-10(8)14/h1-2,4,6,8H,3,5H2,(H,12,13)"	"SGHZROXWLFSFNB-UHFFFAOYSA-N"	FALSE	TRUE	4500	3	5
"55335-06-3"	"DTXSID0032497"	"Triclopyr"	"EPA_DSSTox"	"OC(=O)COC1=NC(Cl)=C(Cl)C=C1Cl"	"?"	"InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)"	"REEQLXCGVXDJSQ-UHFFFAOYSA-N"	FALSE	FALSE	630	3	4
"5534-09-8"	"DTXSID3048730"	"Beclazone"	"EPA_DSSTox"	"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(O)CC2(C)C1(OC(=O)CC)C(=O)COC(=O)CC"	"?"	"InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3"	"KUVIULQEHSCUHY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"5534-95-2"	"DTXSID3048992"	"Pentagastrin"	"EPA_DSSTox"	"CSCCC(NC(=O)C(CC1=CNC2C=CC=CC1=2)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(CC1C=CC=CC=1)C(N)=O"	"?"	"InChI=1S/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)"	"NEYNJQRKHLUJRU-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"5536-17-4"	"DTXSID80873976"	"Adenine 9-beta-D-arabinofuranoside"	"EPA_DSSTox"	"NC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O"	"?"	"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)"	"OIRDTQYFTABQOQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"55363-08-1"	NA	NA	"Public_CrossChecked"	"CN(C)CC(=O)N1CC2C=CC=CC=2CC2CCCCC12"	"Cl"	"InChI=1S/C18H26N2O/c1-19(2)13-18(21)20-12-16-9-4-3-7-14(16)11-15-8-5-6-10-17(15)20/h3-4,7,9,15,17H,5-6,8,10-13H2,1-2H3"	"GZTKHSOQMLEGGC-UHFFFAOYSA-N"	FALSE	FALSE	1400	3	4
"55391-34-9"	NA	NA	"Public_CrossChecked"	"CNC(=O)ON=C1CSCCS1"	"?"	"InChI=1S/C6H10N2O2S2/c1-7-6(9)10-8-5-4-11-2-3-12-5/h2-4H2,1H3,(H,7,9)"	"KPINHOMFRQMSJA-UHFFFAOYSA-N"	TRUE	FALSE	15	1	2
"554-00-7"	"DTXSID1024966"	"2,4-Dichloroaniline"	"EPA_DSSTox"	"NC1=CC=C(Cl)C=C1Cl"	"?"	"InChI=1S/C6H5Cl2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2"	"KQCMTOWTPBNWDB-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"554-12-1"	"DTXSID7027201"	"Methyl propanoate"	"EPA_DSSTox"	"CCC(=O)OC"	"?"	"InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3"	"RJUFJBKOKNCXHH-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"554-13-2"	"DTXSID1023784"	"Lithium carbonate"	"EPA_DSSTox"	"OC(O)=O"	"[Li+].[Li+]"	"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)"	"BVKZGUZCCUSVTD-UHFFFAOYSA-N"	FALSE	FALSE	525	3	4
"554-14-3"	"DTXSID3060291"	"Thiophene, 2-methyl-"	"EPA_DSSTox"	"CC1=CC=CS1"	"?"	"InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3"	"XQQBUAPQHNYYRS-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"554-18-7"	"DTXSID10873666"	"Glucosulfone sodium"	"EPA_DSSTox"	"OS(=O)(=O)C(NC1C=CC(=CC=1)S(=O)(=O)C1C=CC(=CC=1)NC(C(O)C(O)C(O)C(O)CO)S(O)(=O)=O)C(O)C(O)C(O)C(O)CO"	"[Na+].[Na+]"	"InChI=1S/C24H36N2O18S3/c27-9-15(29)17(31)19(33)21(35)23(46(39,40)41)25-11-1-5-13(6-2-11)45(37,38)14-7-3-12(4-8-14)26-24(47(42,43)44)22(36)20(34)18(32)16(30)10-28/h1-8,15-36H,9-10H2,(H,39,40,41)(H,42,43,44)"	"SQQCWHCJRWYRLB-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"55406-53-6"	"DTXSID0028038"	"3-Iodo-2-propynyl-N-butylcarbamate"	"EPA_DSSTox"	"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"	FALSE	FALSE	1100	3	4
"55418-56-9"	NA	NA	"Public_CrossChecked"	"CC(C1C=CC(=CC=1)C1C=CC=CC=1F)C(=O)COC(=O)C1C=CN=CC=1"	"?"	"InChI=1S/C22H18FNO3/c1-15(21(25)14-27-22(26)18-10-12-24-13-11-18)16-6-8-17(9-7-16)19-4-2-3-5-20(19)23/h2-13,15H,14H2,1H3"	"RBFXNZUJUUVKET-UHFFFAOYSA-N"	FALSE	FALSE	1170	3	4
"55453-87-7"	"DTXSID8057772"	"Isoxepac"	"EPA_DSSTox"	"OC(=O)CC1C=C2C(=CC=1)OCC1C=CC=CC=1C2=O"	"?"	"InChI=1S/C16H12O4/c17-15(18)8-10-5-6-14-13(7-10)16(19)12-4-2-1-3-11(12)9-20-14/h1-7H,8-9H2,(H,17,18)"	"QFGMXJOBTNZHEL-UHFFFAOYSA-N"	FALSE	FALSE	143	2	3
"55458-76-9"	"DTXSID00204021"	"N-Nicotinoyl tyramine"	"EPA_DSSTox"	"OC1=CC=C(CCNC(=O)C2C=NC=CC=2)C=C1"	"?"	"InChI=1S/C14H14N2O2/c17-13-5-3-11(4-6-13)7-9-16-14(18)12-2-1-8-15-10-12/h1-6,8,10,17H,7,9H2,(H,16,18)"	"VSEZXJMDHJEHMN-UHFFFAOYSA-N"	FALSE	TRUE	8500	4	5
"5547-29-5"	"DTXSID30204034"	"Desacetylcephalothin sodium"	"EPA_DSSTox"	"OC(=O)C1=C(CSC2C(NC(=O)CC3=CC=CS3)C(=O)N12)CO"	"[Na+]"	"InChI=1S/C14H14N2O5S2/c17-5-7-6-23-13-10(12(19)16(13)11(7)14(20)21)15-9(18)4-8-2-1-3-22-8/h1-3,10,13,17H,4-6H2,(H,15,18)(H,20,21)"	"HTBAVMIGXROYPQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"555-29-3"	NA	NA	"Public_CrossChecked"	"CC(N)(CC1=CC(O)=C(O)C=C1)C(O)=O"	"?"	"InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)"	"CJCSPKMFHVPWAR-UHFFFAOYSA-N"	FALSE	TRUE	5710	4	5
"555-30-6"	"DTXSID5023295"	"Methyldopa"	"EPA_DSSTox"	"CC(N)(CC1=CC(O)=C(O)C=C1)C(O)=O"	"?"	"InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)"	"CJCSPKMFHVPWAR-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"555-37-3"	"DTXSID4042200"	"Neburon"	"EPA_DSSTox"	"CCCCN(C)C(=O)NC1=CC(Cl)=C(Cl)C=C1"	"?"	"InChI=1S/C12H16Cl2N2O/c1-3-4-7-16(2)12(17)15-9-5-6-10(13)11(14)8-9/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)"	"CCGPUGMWYLICGL-UHFFFAOYSA-N"	FALSE	FALSE	1100	3	4
"555-77-1"	"DTXSID7048744"	"Trichlomethine"	"EPA_DSSTox"	"ClCCN(CCCl)CCCl"	"?"	"InChI=1S/C6H12Cl3N/c7-1-4-10(5-2-8)6-3-9/h1-6H2"	"FDAYLTPAFBGXAB-UHFFFAOYSA-N"	TRUE	FALSE	5	1	2
"555-89-5"	"DTXSID7041673"	"Bis(p-chlorophenoxy)methane"	"EPA_DSSTox"	"ClC1C=CC(=CC=1)OCOC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C13H10Cl2O2/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13/h1-8H,9H2"	"COVKSLBAQCJQMS-UHFFFAOYSA-N"	FALSE	TRUE	5800	4	5
"5550-12-9"	"DTXSID9044245"	"Disodium guanylate"	"EPA_DSSTox"	"NC1NC(=O)C2N=CN(C3OC(COP(O)(O)=O)C(O)C3O)C=2N=1"	"[Na+].[Na+]"	"InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)"	"RQFCJASXJCIDSX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"55511-98-3"	"DTXSID7058125"	"Buthidazole"	"EPA_DSSTox"	"CN1CC(O)N(C1=O)C1=NN=C(S1)C(C)(C)C"	"?"	"InChI=1S/C10H16N4O2S/c1-10(2,3)7-11-12-8(17-7)14-6(15)5-13(4)9(14)16/h6,15H,5H2,1-4H3"	"SWMGXKSQWDSBKV-UHFFFAOYSA-N"	FALSE	FALSE	1542	3	4
"55512-33-9"	"DTXSID2032639"	"Pyridate"	"EPA_DSSTox"	"CCCCCCCCSC(=O)OC1=CC(Cl)=NN=C1C1C=CC=CC=1"	"?"	"InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3"	"JTZCTMAVMHRNTR-UHFFFAOYSA-N"	FALSE	FALSE	1970	3	4
"55543-68-5"	"DTXSID40204106"	"Crezacin"	"EPA_DSSTox"	"CC1C=CC=CC=1OCC(O)=O"	"OCCN(CCO)CCO"	"InChI=1S/C9H10O3/c1-7-4-2-3-5-8(7)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)"	"QJVXBRUGKLCUMY-UHFFFAOYSA-N"	FALSE	TRUE	4500	3	5
"5556-57-0"	NA	NA	"Public_CrossChecked"	"CCC1(CCC(=O)N1)C1C=CC=CC=1"	"?"	"InChI=1S/C12H15NO/c1-2-12(9-8-11(14)13-12)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14)"	"JTSAWYFWKYGLHL-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"55589-62-3"	"DTXSID1030606"	"Acesulfame potassium"	"EPA_DSSTox"	"CC1=CC(=O)NS(=O)(=O)O1"	"[K+]"	"InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)"	"YGCFIWIQZPHFLU-UHFFFAOYSA-N"	FALSE	TRUE	5438	4	5
"556-12-7"	NA	NA	"Public_CrossChecked"	"NC1=NN=C(C=N1)C=CC1=CC=C(O1)[N+]([O-])=O"	"?"	"InChI=1S/C9H7N5O3/c10-9-11-5-6(12-13-9)1-2-7-3-4-8(17-7)14(15)16/h1-5H,(H2,10,11,13)"	"RWOLIGKRDWLZSV-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"556-52-5"	"DTXSID4020666"	"Glycidol"	"EPA_DSSTox"	"OCC1CO1"	"?"	"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2"	"CTKINSOISVBQLD-UHFFFAOYSA-N"	FALSE	FALSE	420	2	4
"556-56-9"	"DTXSID5060302"	"1-Propene, 3-iodo-"	"EPA_DSSTox"	"C=CCI"	"?"	"InChI=1S/C3H5I/c1-2-3-4/h2H,1,3H2"	"HFEHLDPGIKPNKL-UHFFFAOYSA-N"	TRUE	FALSE	10	1	2
"556-67-2"	"DTXSID7027205"	"Octamethylcyclotetrasiloxane"	"EPA_DSSTox"	"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"	FALSE	FALSE	1540	3	4
"556-88-7"	"DTXSID4024222"	"Nitroguanidine"	"EPA_DSSTox"	"[H]/N=C(\N)/N[N+]([O-])=O"	"?"	"InChI=1S/CH4N4O2/c2-1(3)4-5(6)7/h(H4,2,3,4)"	"IDCPFAYURAQKDZ-UHFFFAOYSA-N"	FALSE	TRUE	10200	4	5
"5560-69-0"	"DTXSID20204144"	"Ethyl dibunate"	"EPA_DSSTox"	"CCOS(=O)(=O)C1=CC(=CC2C=C(C=CC=21)C(C)(C)C)C(C)(C)C"	"?"	"InChI=1S/C20H28O3S/c1-8-23-24(21,22)18-13-16(20(5,6)7)12-14-11-15(19(2,3)4)9-10-17(14)18/h9-13H,8H2,1-7H3"	"ZAMACTJOCIFTPJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"55619-22-2"	NA	NA	"Public_CrossChecked"	"COC1C=CC(=CC=1C(=O)NCC1CCCN1CC)S(=O)(=O)CC"	"Cl"	"InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)"	"UNRHXEPDKXPRTM-UHFFFAOYSA-N"	FALSE	TRUE	2100	3	5
"55634-91-8"	"DTXSID8047210"	"Alloxydim"	"EPA_DSSTox"	"COC(=O)C1C(=O)C(=C(CCC)NOCC=C)C(=O)CC1(C)C"	"?"	"InChI=1S/C17H25NO5/c1-6-8-11(18-23-9-7-2)13-12(19)10-17(3,4)14(15(13)20)16(21)22-5/h7,14,18H,2,6,8-10H2,1,3-5H3"	"CBLVUXPPNHUKDE-UHFFFAOYSA-N"	FALSE	TRUE	2260	3	5
"55636-92-5"	NA	NA	"Public_CrossChecked"	"CC(C)NCC(O)COC1C=CC=C2C=C(OC2=1)C(C)O"	"?"	"InChI=1S/C16H23NO4/c1-10(2)17-8-13(19)9-20-14-6-4-5-12-7-15(11(3)18)21-16(12)14/h4-7,10-11,13,17-19H,8-9H2,1-3H3"	"SOBIXRUSPZTLPQ-UHFFFAOYSA-N"	FALSE	TRUE	2130	3	5
"55646-15-6"	"DTXSID40274046"	"2-Methyloctane-2-thiol"	"EPA_DSSTox"	"CCCCCCC(C)(C)S"	"?"	"InChI=1S/C9H20S/c1-4-5-6-7-8-9(2,3)10/h10H,4-8H2,1-3H3"	"MPBLPZLNKKGCGP-UHFFFAOYSA-N"	FALSE	TRUE	5550	4	5
"5566-34-7"	"DTXSID10858938"	"2,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene"	"EPA_DSSTox"	"ClC1(Cl)CC2C(C1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl"	"?"	"InChI=1S/C10H6Cl8/c11-5-6(12)9(16)4-2-7(13,14)1-3(4)8(5,15)10(9,17)18/h3-4H,1-2H2"	"JBZJEPYXXVKOKF-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"55661-38-6"	"DTXSID80204185"	"Nimustine hydrochloride"	"EPA_DSSTox"	"CC1N=CC(CNC(=O)N(CCCl)N=O)=C(N)N=1"	"Cl"	"InChI=1S/C9H13ClN6O2/c1-6-12-4-7(8(11)14-6)5-13-9(17)16(15-18)3-2-10/h4H,2-3,5H2,1H3,(H,13,17)(H2,11,12,14)"	"VFEDRRNHLBGPNN-UHFFFAOYSA-N"	FALSE	FALSE	113	2	3
"55689-71-9"	NA	NA	"Public_CrossChecked"	"CC(C(O)=O)C1=CC2OCC3C=C(Cl)C=CC=3C(=O)C=2C=C1"	"?"	"InChI=1S/C17H13ClO4/c1-9(17(20)21)10-2-4-14-15(7-10)22-8-11-6-12(18)3-5-13(11)16(14)19/h2-7,9H,8H2,1H3,(H,20,21)"	"MHJHFQUUNRQERU-UHFFFAOYSA-N"	TRUE	FALSE	12	1	2
"55690-47-6"	NA	NA	"Public_CrossChecked"	"CC(C(O)=O)C1=CC2OCC3C=CC=CC=3C(=O)C=2C=C1"	"?"	"InChI=1S/C17H14O4/c1-10(17(19)20)11-6-7-14-15(8-11)21-9-12-4-2-3-5-13(12)16(14)18/h2-8,10H,9H2,1H3,(H,19,20)"	"ZLHKCAHRTBIOOR-UHFFFAOYSA-N"	TRUE	FALSE	34	1	2
"557-30-2"	"DTXSID2042014"	"Glyoxime"	"EPA_DSSTox"	"O=NCCN=O"	"?"	"InChI=1S/C2H4N2O2/c5-3-1-2-4-6/h1-2H2"	"FZJOTJQBGGNWAW-UHFFFAOYSA-N"	FALSE	FALSE	119	2	3
"557-36-8"	"DTXSID90870613"	"Octane, 2-iodo-"	"EPA_DSSTox"	"CCCCCCC(C)I"	"?"	"InChI=1S/C8H17I/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3"	"XFLOGTUFKZCFTK-UHFFFAOYSA-N"	FALSE	TRUE	8200	4	5
"557-40-4"	"DTXSID8060321"	"1-Propene, 3,3'-oxybis-"	"EPA_DSSTox"	"C=CCOCC=C"	"?"	"InChI=1S/C6H10O/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2"	"ATVJXMYDOSMEPO-UHFFFAOYSA-N"	FALSE	FALSE	320	2	4
"557-48-2"	"DTXSID1047104"	"trans-2,cis-6-Nonadienal"	"EPA_DSSTox"	"CCCCC=CC=CC=O"	"?"	"InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3"	"ZHHYXNZJDGDGPJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"5571-97-1"	NA	NA	"Public_CrossChecked"	"CN1C(C2=CC(Cl)=C(Cl)C=C2)S(=O)(=O)CCC1=O"	"?"	"InChI=1S/C11H11Cl2NO3S/c1-14-10(15)4-5-18(16,17)11(14)7-2-3-8(12)9(13)6-7/h2-3,6,11H,4-5H2,1H3"	"FTBWWORDOHNJDB-UHFFFAOYSA-N"	FALSE	FALSE	1050	3	4
"55721-11-4"	"DTXSID4021260"	"24R,25-Dihydroxyvitamin D3"	"EPA_DSSTox"	"CC(C)(O)C(O)CCC(C)C1CCC2C(CCCC21C)=CC=C1CC(O)CCC1=C"	"?"	"InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3"	"FCKJYANJHNLEEP-UHFFFAOYSA-N"	TRUE	FALSE	NA	1	2
"55726-47-1"	"DTXSID6046682"	"Enocitabine"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCCCCCC(=O)NC1C=CN(C2OC(CO)C(O)C2O)C(=O)N=1"	"?"	"InChI=1S/C31H55N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(36)32-26-22-23-34(31(39)33-26)30-29(38)28(37)25(24-35)40-30/h22-23,25,28-30,35,37-38H,2-21,24H2,1H3,(H,32,33,36,39)"	"SAMRUMKYXPVKPA-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"55739-78-1"	NA	NA	"Public_CrossChecked"	"O=C1C(=C(Cl)Cl)C(=O)C2(Cl)C3CC(C=C3)C21Cl"	"?"	"InChI=1S/C11H6Cl4O2/c12-9(13)6-7(16)10(14)4-1-2-5(3-4)11(10,15)8(6)17/h1-2,4-5H,3H2"	"RYXGAWJESREXQK-UHFFFAOYSA-N"	FALSE	TRUE	2760	3	5
"55769-64-7"	"DTXSID00204329"	"Butobendine hydrochloride"	"EPA_DSSTox"	"CN(CCN(C)C(COC(=O)C1=CC(OC)=C(OC)C(=C1)OC)CC)C(COC(=O)C1=CC(OC)=C(OC)C(=C1)OC)CC"	"[Cl-].[Cl-]"	"InChI=1S/C32H48N2O10/c1-11-23(19-43-31(35)21-15-25(37-5)29(41-9)26(16-21)38-6)33(3)13-14-34(4)24(12-2)20-44-32(36)22-17-27(39-7)30(42-10)28(18-22)40-8/h15-18,23-24H,11-14,19-20H2,1-10H3"	"ZKSIPEYIAHUPNM-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"5578-42-7"	NA	NA	"Public_CrossChecked"	"C[Si](Cl)(Cl)C1CCCCC1"	"?"	"InChI=1S/C7H14Cl2Si/c1-10(8,9)7-5-3-2-4-6-7/h7H,2-6H2,1H3"	"YUYHCACQLHNZLS-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"558-25-8"	"DTXSID8060329"	"Methanesulfonyl fluoride"	"EPA_DSSTox"	"CS(=O)(=O)F"	"?"	"InChI=1S/CH3FO2S/c1-5(2,3)4/h1H3"	"KNWQLFOXPQZGPX-UHFFFAOYSA-N"	TRUE	FALSE	2	1	1
"558-30-5"	"DTXSID7060330"	"Oxirane, 2,2-dimethyl-"	"EPA_DSSTox"	"CC1(C)CO1"	"?"	"InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3"	"GELKGHVAFRCJNA-UHFFFAOYSA-N"	FALSE	TRUE	3890	3	5
"55814-41-0"	"DTXSID1037565"	"Mepronil"	"EPA_DSSTox"	"CC1C=CC=CC=1C(=O)NC1=CC(=CC=C1)OC(C)C"	"?"	"InChI=1S/C17H19NO2/c1-12(2)20-15-9-6-8-14(11-15)18-17(19)16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H,18,19)"	"BCTQJXQXJVLSIG-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"55837-18-8"	NA	NA	"Public_CrossChecked"	"CC(C)CC1=CC=C(C=C1)C(CC)C(O)=O"	"?"	"InChI=1S/C14H20O2/c1-4-13(14(15)16)12-7-5-11(6-8-12)9-10(2)3/h5-8,10,13H,4,9H2,1-3H3,(H,15,16)"	"UULSXYSSHHRCQK-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"55837-27-9"	"DTXSID2023488"	"Piretanide"	"EPA_DSSTox"	"NS(=O)(=O)C1C=C(C=C(C=1OC1C=CC=CC=1)N1CCCC1)C(O)=O"	"?"	"InChI=1S/C17H18N2O5S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23)"	"UJEWTUDSLQGTOA-UHFFFAOYSA-N"	FALSE	TRUE	5601	4	5
"55843-86-2"	NA	NA	"Public_CrossChecked"	"CC(C(O)=O)C1C=CC(=CC=1)C1=CN2C=CC=CC2=N1"	"?"	"InChI=1S/C16H14N2O2/c1-11(16(19)20)12-5-7-13(8-6-12)14-10-18-9-3-2-4-15(18)17-14/h2-11H,1H3,(H,19,20)"	"OJGQFYYLKNCIJD-UHFFFAOYSA-N"	FALSE	FALSE	292	2	3
"5585-39-7"	"DTXSID90884174"	"2,6-Octadienenitrile, 3,7-dimethyl-, (2E)-"	"EPA_DSSTox"	"CC(C)=CCCC(C)=CC#N"	"?"	"InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3"	"HLCSDJLATUNSSI-UHFFFAOYSA-N"	FALSE	TRUE	3100	3	5
"5585-52-4"	NA	NA	"Public_CrossChecked"	"CC(C1C=CC=CC=1)C(C)(C)N"	"?"	"InChI=1S/C11H17N/c1-9(11(2,3)12)10-7-5-4-6-8-10/h4-9H,12H2,1-3H3"	"UMWAUEZOGHNSCH-UHFFFAOYSA-N"	FALSE	FALSE	180	2	3
"5585-67-1"	NA	NA	"Public_CrossChecked"	"CN(C)CCOC(=O)C1=COC(C)C2CN3CCC4C5C=C(OC)C(=CC=5NC=4C3CC12)OC"	"?"	"InChI=1S/C26H35N3O5/c1-15-19-13-29-7-6-16-18-11-23(31-4)24(32-5)12-21(18)27-25(16)22(29)10-17(19)20(14-34-15)26(30)33-9-8-28(2)3/h11-12,14-15,17,19,22,27H,6-10,13H2,1-5H3"	"GKMCARMHFZCZDR-UHFFFAOYSA-N"	FALSE	TRUE	2350	3	5
"5585-73-9"	NA	NA	"Public_CrossChecked"	"CC(CC1C2=CC=CC=C2CCC2C=CC=CC=21)CN(C)C"	"?"	"InChI=1S/C21H27N/c1-16(15-22(2)3)14-21-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)21/h4-11,16,21H,12-15H2,1-3H3"	"ALELTFCQZDXAMQ-UHFFFAOYSA-N"	FALSE	FALSE	700	3	4
"5586-87-8"	NA	NA	"Public_CrossChecked"	"CC(CC1C=CC=CC=1)NCCCCl"	"Cl"	"InChI=1S/C12H18ClN/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,8-10H2,1H3"	"XXVROGAVTTXONC-UHFFFAOYSA-N"	FALSE	FALSE	410	2	4
"55861-78-4"	"DTXSID1042079"	"Isouron"	"EPA_DSSTox"	"CN(C)C(=O)NC1C=C(ON=1)C(C)(C)C"	"?"	"InChI=1S/C10H17N3O2/c1-10(2,3)7-6-8(12-15-7)11-9(14)13(4)5/h6H,1-5H3,(H,11,12,14)"	"JLLJHQLUZAKJFH-UHFFFAOYSA-N"	FALSE	FALSE	630	3	4
"5587-89-3"	"DTXSID0023167"	"Ipodic acid"	"EPA_DSSTox"	"CN(C)C=NC1=C(I)C(CCC(O)=O)=C(I)C=C1I"	"?"	"InChI=1S/C12H13I3N2O2/c1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19/h5-6H,3-4H2,1-2H3,(H,18,19)"	"YQNFBOJPTAXAKV-UHFFFAOYSA-N"	FALSE	FALSE	1030	3	4
"5588-10-3"	NA	NA	"Public_CrossChecked"	"CNC(C)CC1=CC=CC=C1OC"	"Cl"	"InChI=1S/C11H17NO/c1-9(12-2)8-10-6-4-5-7-11(10)13-3/h4-7,9,12H,8H2,1-3H3"	"OEHAYUOVELTAPG-UHFFFAOYSA-N"	FALSE	FALSE	630	3	4
"5588-13-6"	NA	NA	"Public_CrossChecked"	"OCC(O)C(O)C(=O)C(O)NNCC1C=CC=CC=1"	"?"	"InChI=1S/C12H18N2O5/c15-7-9(16)10(17)11(18)12(19)14-13-6-8-4-2-1-3-5-8/h1-5,9-10,12-17,19H,6-7H2"	"WOIDQNGPVXAFNB-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"5588-20-5"	NA	NA	"Public_CrossChecked"	"CCC(CCCC)C1NC(=O)N(SC(Cl)(Cl)Cl)C1=O"	"?"	"InChI=1S/C11H17Cl3N2O2S/c1-3-5-6-7(4-2)8-9(17)16(10(18)15-8)19-11(12,13)14/h7-8H,3-6H2,1-2H3,(H,15,18)"	"VOGJJBHRUDVEFM-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"5588-22-7"	NA	NA	"Public_CrossChecked"	"CC(C)NCC(O)C1C=CC=CC=1Cl"	"O.Cl"	"InChI=1S/C11H16ClNO/c1-8(2)13-7-11(14)9-5-3-4-6-10(9)12/h3-6,8,11,13-14H,7H2,1-2H3"	"SSMSBSWKLKKXGG-UHFFFAOYSA-N"	FALSE	FALSE	450	2	4
"5588-33-0"	"DTXSID3023265"	"Mesoridazine"	"EPA_DSSTox"	"CN1CCCCC1CCN1C2=CC=CC=C2SC2C=CC(=CC1=2)S(C)=O"	"?"	"InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3"	"SLVMESMUVMCQIY-UHFFFAOYSA-N"	FALSE	FALSE	644	3	4
"55881-07-7"	NA	NA	"Public_CrossChecked"	"COC1C(OC2OC(C)C(OC3CC(C)(OC(C)=O)C(OC(=O)CC)C(C)O3)C(C2O)N(C)C)C(CC=O)CC(C)C(C=CC=CCC(C)OC(=O)CC1OC(=O)CC)OC(C)=O |c:44,46|"	"?"	"InChI=1S/C45H71NO17/c1-13-34(50)59-33-23-36(52)55-26(4)18-16-15-17-19-32(58-29(7)48)25(3)22-31(20-21-47)41(42(33)54-12)62-44-39(53)38(46(10)11)40(27(5)57-44)61-37-24-45(9,63-30(8)49)43(28(6)56-37)60-35(51)14-2/h15-17,19,21,25-28,31-33,37-44,53H,13-14,18,20,22-24H2,1-12H3/b16-15-,19-17-"	"GQNZGCARKRHPOH-RKXLPSGMSA-N"	FALSE	TRUE	NA	4	5
"5591-45-7"	"DTXSID6023658"	"Thiothixene"	"EPA_DSSTox"	"CN(C)S(=O)(=O)C1=CC2C(=CCCN3CCN(C)CC3)C3=CC=CC=C3SC=2C=C1"	"?"	"InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3"	"GFBKORZTTCHDGY-UHFFFAOYSA-N"	FALSE	FALSE	720	3	4
"55916-20-6"	NA	NA	"Public_CrossChecked"	"O=C1C2C=CC(Br)=CC=2C(=O)C1(Br)C1=CC2C=CC=CC=2C=C1"	"?"	"InChI=1S/C19H10Br2O2/c20-14-7-8-15-16(10-14)18(23)19(21,17(15)22)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H"	"RNNKTKUZYMFOBY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"5593-20-4"	"DTXSID2022672"	"Betamethasone dipropionate"	"EPA_DSSTox"	"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(OC(=O)CC)C(=O)COC(=O)CC"	"?"	"InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3"	"CIWBQSYVNNPZIQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"55934-93-5"	"DTXSID8042503"	"Tripropylene glycol butyl ether"	"EPA_DSSTox"	"CC(COC(O)CC)OC(CC)OCCCC"	"?"	"InChI=1S/C13H28O4/c1-5-8-9-15-13(7-3)17-11(4)10-16-12(14)6-2/h11-14H,5-10H2,1-4H3"	"RNFAKTRFMQEEQE-UHFFFAOYSA-N"	FALSE	TRUE	2600	3	5
"55937-99-0"	NA	NA	"Public_CrossChecked"	"CCC(C)(OC1C=CC(CC2C=CC(Cl)=CC=2)=CC=1)C(=O)OCC"	"?"	"InChI=1S/C20H23ClO3/c1-4-20(3,19(22)23-5-2)24-18-12-8-16(9-13-18)14-15-6-10-17(21)11-7-15/h6-13H,4-5,14H2,1-3H3"	"YWQGBCXVCXMSLJ-UHFFFAOYSA-N"	FALSE	TRUE	9000	4	5
"5598-13-0"	"DTXSID6032352"	"Chlorpyrifos-methyl"	"EPA_DSSTox"	"COP(=S)(OC1=NC(Cl)=C(Cl)C=C1Cl)OC"	"?"	"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"	FALSE	FALSE	1500	3	4
"5598-15-2"	"DTXSID1038666"	"Chlorpyrifos oxon"	"EPA_DSSTox"	"CCOP(=O)(OC1=NC(Cl)=C(Cl)C=C1Cl)OCC"	"?"	"InChI=1S/C9H11Cl3NO4P/c1-3-15-18(14,16-4-2)17-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3"	"OTMOUPHCTWPNSL-UHFFFAOYSA-N"	FALSE	FALSE	135	2	3
"5598-52-7"	"DTXSID6037512"	"Fospirate"	"EPA_DSSTox"	"COP(=O)(OC1=NC(Cl)=C(Cl)C=C1Cl)OC"	"?"	"InChI=1S/C7H7Cl3NO4P/c1-13-16(12,14-2)15-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3"	"XCBOKUAJQWDYNI-UHFFFAOYSA-N"	FALSE	FALSE	869	3	4
"55981-09-4"	"DTXSID5033757"	"Nitazoxanide"	"EPA_DSSTox"	"CC(=O)OC1C=CC=CC=1C(=O)NC1=NC=C(S1)[N+]([O-])=O"	"?"	"InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)"	"YQNQNVDNTFHQSW-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"55985-32-5"	"DTXSID6023363"	"Nicardipine"	"EPA_DSSTox"	"COC(=O)C1C(C(C(=O)OCCN(C)CC2C=CC=CC=2)=C(C)NC=1C)C1C=C(C=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3"	"ZBBHBTPTTSWHBA-UHFFFAOYSA-N"	FALSE	FALSE	320	2	4
"55994-28-0"	"DTXSID00204561"	"1H-Indene-1,3(2H)-dione, 2-(2,6-dichlorophenyl)-"	"EPA_DSSTox"	"O=C1C(C2C(Cl)=CC=CC=2Cl)C(=O)C2C=CC=CC1=2"	"?"	"InChI=1S/C15H8Cl2O2/c16-10-6-3-7-11(17)12(10)13-14(18)8-4-1-2-5-9(8)15(13)19/h1-7,13H"	"MOIHUCBXEPXBAI-UHFFFAOYSA-N"	FALSE	FALSE	470	2	4
"56-04-2"	"DTXSID2020890"	"6-Methyl-2-thiouracil"	"EPA_DSSTox"	"CC1=CC(=O)NC(=S)N1"	"?"	"InChI=1S/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)"	"HWGBHCRJGXAGEU-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"56-17-7"	"DTXSID6058766"	"Ethanamine, 2,2'-dithiobis-, dihydrochloride"	"EPA_DSSTox"	"NCCSSCCN"	"Cl.Cl"	"InChI=1S/C4H12N2S2/c5-1-3-7-8-4-2-6/h1-6H2"	"APQPRKLAWCIJEK-UHFFFAOYSA-N"	FALSE	FALSE	896	3	4
"56-37-1"	"DTXSID9021710"	"Benzyltriethylammonium chloride"	"EPA_DSSTox"	"CC[N+](CC1C=CC=CC=1)(CC)CC"	"[Cl-]"	"InChI=1S/C13H22N/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3/q+1"	"VBQDSLGFSUGBBE-UHFFFAOYSA-N"	FALSE	TRUE	2219	3	5
"56-40-6"	"DTXSID9020667"	"Glycine"	"EPA_DSSTox"	"NCC(O)=O"	"?"	"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)"	"DHMQDGOQFOQNFH-UHFFFAOYSA-N"	FALSE	TRUE	7930	4	5
"56-54-2"	"DTXSID4023549"	"Quinidine"	"EPA_DSSTox"	"COC1C=CC2=NC=CC(C(O)C3CC4CCN3CC4C=C)=C2C=1"	"?"	"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3"	"LOUPRKONTZGTKE-UHFFFAOYSA-N"	FALSE	FALSE	263	2	3
"56-81-5"	"DTXSID9020663"	"Glycerol"	"EPA_DSSTox"	"OC(CO)CO"	"?"	"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2"	"PEDCQBHIVMGVHV-UHFFFAOYSA-N"	FALSE	TRUE	9084.99999999999	4	5
"56-84-8"	"DTXSID7022621"	"L-Aspartic acid"	"EPA_DSSTox"	"NC(CC(O)=O)C(O)=O"	"?"	"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)"	"CKLJMWTZIZZHCS-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"56-89-3"	"DTXSID2046418"	"L-Cystine"	"EPA_DSSTox"	"NC(CSSCC(N)C(O)=O)C(O)=O"	"?"	"InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)"	"LEVWYRKDKASIDU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"56-93-9"	"DTXSID8024600"	"Benzyltrimethylammonium chloride"	"EPA_DSSTox"	"C[N+](C)(C)CC1C=CC=CC=1"	"[Cl-]"	"InChI=1S/C10H16N/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3/q+1"	"YOUGRGFIHBUKRS-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"56011-02-0"	"DTXSID3052220"	"3-Methylbutyl 2-phenylethyl ether"	"EPA_DSSTox"	"CC(C)CCOCCC1C=CC=CC=1"	"?"	"InChI=1S/C13H20O/c1-12(2)8-10-14-11-9-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3"	"BHQBQWOZHYUVTL-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"56066-63-8"	"DTXSID90204616"	"Aditoprim"	"EPA_DSSTox"	"COC1=CC(CC2C=NC(N)=NC=2N)=CC(OC)=C1N(C)C"	"?"	"InChI=1S/C15H21N5O2/c1-20(2)13-11(21-3)6-9(7-12(13)22-4)5-10-8-18-15(17)19-14(10)16/h6-8H,5H2,1-4H3,(H4,16,17,18,19)"	"QBQMXWZTRRWPGK-UHFFFAOYSA-N"	FALSE	FALSE	1402	3	4
"5607-54-5"	"DTXSID40204621"	"(1,1'-Biphenyl)-3-carboxamide, 5-chloro-N-(2,5-dichlorophenyl)-2-hydroxy-"	"EPA_DSSTox"	"OC1C(=CC(Cl)=CC=1C1C=CC=CC=1)C(=O)NC1C=C(Cl)C=CC=1Cl"	"?"	"InChI=1S/C19H12Cl3NO2/c20-12-6-7-16(22)17(10-12)23-19(25)15-9-13(21)8-14(18(15)24)11-4-2-1-3-5-11/h1-10,24H,(H,23,25)"	"FKVKFDAQFBMENN-UHFFFAOYSA-N"	FALSE	TRUE	6310	4	5
"56073-07-5"	"DTXSID2058128"	"Difenacoum"	"EPA_DSSTox"	"OC1=C(C2CC(CC3=CC=CC=C32)C2C=CC(=CC=2)C2C=CC=CC=2)C(=O)OC2=CC=CC=C21"	"?"	"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/h1-17,24,27,32H,18-19H2"	"FVQITOLOYMWVFU-UHFFFAOYSA-N"	TRUE	FALSE	0.925	1	1
"56073-10-0"	"DTXSID5032529"	"Brodifacoum"	"EPA_DSSTox"	"OC1=C(C2CC(CC3C=CC=CC=32)C2C=CC(=CC=2)C2C=CC(Br)=CC=2)C(=O)OC2C=CC=CC=21"	"?"	"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/h1-16,23,27,33H,17-18H2"	"VEUZZDOCACZPRY-UHFFFAOYSA-N"	TRUE	FALSE	0.16	1	1
"561-41-1"	"DTXSID00204642"	"4,4'-Bis(dimethylamino)-4''-(methylamino)trityl alcohol"	"EPA_DSSTox"	"CNC1C=CC(=CC=1)C(O)(C1C=CC(=CC=1)N(C)C)C1C=CC(=CC=1)N(C)C"	"?"	"InChI=1S/C24H29N3O/c1-25-21-12-6-18(7-13-21)24(28,19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5/h6-17,25,28H,1-5H3"	"MAGJOSJRYKEYAZ-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"561-43-3"	NA	NA	"Public_CrossChecked"	"C[N+]1(C)CCCC1COC(=O)C(O)(C1CCCCC1)C1C=CC=CC=1"	"[Br-]"	"InChI=1S/C21H32NO3/c1-22(2)15-9-14-19(22)16-25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3,5-6,10-11,18-19,24H,4,7-9,12-16H2,1-2H3/q+1"	"KASKRXOORXMTTP-UHFFFAOYSA-N"	FALSE	FALSE	780	3	4
"561-78-4"	"DTXSID40204646"	"Alphaprodine hydrochloride [USP]"	"EPA_DSSTox"	"CCC(=O)OC1(CCN(C)CC1C)C1C=CC=CC=1"	"Cl"	"InChI=1S/C16H23NO2/c1-4-15(18)19-16(14-8-6-5-7-9-14)10-11-17(3)12-13(16)2/h5-9,13H,4,10-12H2,1-3H3"	"UVAZQQHAVMNMHE-UHFFFAOYSA-N"	FALSE	FALSE	90	2	3
"5610-40-2"	"DTXSID7045944"	"Securinine"	"EPA_DSSTox"	"O=C1C=C2C=CC3CC2(O1)C1CCCCN13"	"?"	"InChI=1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2"	"SWZMSZQQJRKFBP-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"56105-46-5"	"DTXSID00884701"	"1,6-Decadien-3-ol, 3,7,9-trimethyl-"	"EPA_DSSTox"	"CC(C)CC(C)=CCCC(C)(O)C=C"	"?"	"InChI=1S/C13H24O/c1-6-13(5,14)9-7-8-12(4)10-11(2)3/h6,8,11,14H,1,7,9-10H2,2-5H3"	"XVNDKDXSDQQJTO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"5614-37-9"	"DTXSID2074958"	"Cyclopentane, methoxy-"	"EPA_DSSTox"	"COC1CCCC1"	"?"	"InChI=1S/C6H12O/c1-7-6-4-2-3-5-6/h6H,2-5H2,1H3"	"SKTCDJAMAYNROS-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	NA
"56141-00-5"	NA	NA	"Public_CrossChecked"	"COC1=C(C(Cl)=CC=C1Cl)C(=O)OCCN(CCOC(=O)C1=C(OC)C(Cl)=CC=C1Cl)C1C=CC=CC=1"	"?"	"InChI=1S/C26H23Cl4NO6/c1-34-23-19(29)10-8-17(27)21(23)25(32)36-14-12-31(16-6-4-3-5-7-16)13-15-37-26(33)22-18(28)9-11-20(30)24(22)35-2/h3-11H,12-15H2,1-2H3"	"ILXXYQLPPNVJDP-UHFFFAOYSA-N"	FALSE	TRUE	12500	4	5
"56172-46-4"	"DTXSID40884705"	"2-Butenoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester"	"EPA_DSSTox"	"CC(C)=CCCC(C)=CCOC(=O)C=CC"	"?"	"InChI=1S/C14H22O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h5,7-8,10H,6,9,11H2,1-4H3"	"MQTAGIYIVBMTBT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"56180-94-0"	"DTXSID8046034"	"Acarbose"	"EPA_DSSTox"	"CC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1NC1C=C(CO)C(O)C(O)C1O"	"?"	"InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3"	"XUFXOAAUWZOOIT-UHFFFAOYSA-N"	FALSE	TRUE	24000	4	5
"562-09-4"	NA	NA	"Public_CrossChecked"	"CN(C)CCOC(C)(C1C=CC=CC=1)C1C=CC(Cl)=CC=1"	"Cl"	"InChI=1S/C18H22ClNO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3"	"KKHPNPMTPORSQE-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"5621-86-3"	"DTXSID00204748"	"Benzophenone, 2',5-dichloro-2-methylamino-"	"EPA_DSSTox"	"CNC1C=CC(Cl)=CC=1C(=O)C1C=CC=CC=1Cl"	"?"	"InChI=1S/C14H11Cl2NO/c1-17-13-7-6-9(15)8-11(13)14(18)10-4-2-3-5-12(10)16/h2-8,17H,1H3"	"DQYHYPVCQHTLRO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"56211-40-6"	"DTXSID2023690"	"Torsemide"	"EPA_DSSTox"	"CC1C=C(C=CC=1)NC1C=CN=CC=1S(=O)(=O)NC(=O)NC(C)C"	"?"	"InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)"	"NGBFQHCMQULJNZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"56217-90-4"	NA	NA	"Public_CrossChecked"	"CN1CCN(CC(=O)N=NCC2=CC=C(O2)[N+]([O-])=O)CC1"	"O=C(O)/C=C/C(=O)O"	"InChI=1S/C12H17N5O4/c1-15-4-6-16(7-5-15)9-11(18)14-13-8-10-2-3-12(21-10)17(19)20/h2-3H,4-9H2,1H3"	"QLOVCLNRIINVJP-UHFFFAOYSA-N"	FALSE	FALSE	1350	3	4
"563-12-2"	"DTXSID2024086"	"Ethion"	"EPA_DSSTox"	"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"	TRUE	FALSE	13	1	2
"563-47-3"	"DTXSID1020279"	"3-Chloro-2-methylpropene"	"EPA_DSSTox"	"CC(=C)CCl"	"?"	"InChI=1S/C4H7Cl/c1-4(2)3-5/h1,3H2,2H3"	"OHXAOPZTJOUYKM-UHFFFAOYSA-N"	FALSE	FALSE	848	3	4
"563-80-4"	"DTXSID0022062"	"3-Methyl-2-butanone"	"EPA_DSSTox"	"CC(C)C(C)=O"	"?"	"InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3"	"SYBYTAAJFKOIEJ-UHFFFAOYSA-N"	FALSE	FALSE	148	2	3
"5632-47-3"	"DTXSID9021059"	"N-Nitrosopiperazine"	"EPA_DSSTox"	"O=NN1CCNCC1"	"?"	"InChI=1S/C4H9N3O/c8-6-7-3-1-5-2-4-7/h5H,1-4H2"	"CVTIZMOISGMZRJ-UHFFFAOYSA-N"	FALSE	TRUE	2260	3	5
"56323-90-1"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCC1C=C(C=CC=1)OCCOCC(O)=O"	"?"	"InChI=1S/C19H30O4/c1-2-3-4-5-6-7-8-10-17-11-9-12-18(15-17)23-14-13-22-16-19(20)21/h9,11-12,15H,2-8,10,13-14,16H2,1H3,(H,20,21)"	"WFPAOKOBDCHCJY-UHFFFAOYSA-N"	FALSE	FALSE	880	3	4
"5633-16-9"	"DTXSID40204868"	"Leiopyrrole [INN:DCF]"	"EPA_DSSTox"	"CC1=CC=C(C2C=CC=CC=2)N1C1C=CC=CC=1OCCN(CC)CC"	"?"	"InChI=1S/C23H28N2O/c1-4-24(5-2)17-18-26-23-14-10-9-13-22(23)25-19(3)15-16-21(25)20-11-7-6-8-12-20/h6-16H,4-5,17-18H2,1-3H3"	"DQIUUHJEYNMMLD-UHFFFAOYSA-N"	FALSE	FALSE	700	3	4
"5633-25-0"	NA	NA	"Public_CrossChecked"	"CC(=O)OC(CC)C(CC(C)NC)(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C22H29NO2/c1-5-21(25-18(3)24)22(16-17(2)23-4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17,21,23H,5,16H2,1-4H3"	"VWCUGCYZZGRKEE-UHFFFAOYSA-N"	TRUE	FALSE	44	1	2
"5634-42-4"	"DTXSID8057778"	"Tocanfil"	"EPA_DSSTox"	"CC1(C)C(CCC1(C)C(=O)OC(C)C1C=CC(C)=CC=1)C(O)=O"	"OCCNCCO"	"InChI=1S/C19H26O4/c1-12-6-8-14(9-7-12)13(2)23-17(22)19(5)11-10-15(16(20)21)18(19,3)4/h6-9,13,15H,10-11H2,1-5H3,(H,20,21)"	"KRWZVKRKTWCYPR-UHFFFAOYSA-N"	FALSE	TRUE	2808	3	5
"56355-17-0"	NA	NA	"Public_CrossChecked"	"CC(C(O)=O)C1C=CC(=CC=1)OC1=NC=CS1"	"?"	"InChI=1S/C12H11NO3S/c1-8(11(14)15)9-2-4-10(5-3-9)16-12-13-6-7-17-12/h2-8H,1H3,(H,14,15)"	"RXZTWBVFHQLTBU-UHFFFAOYSA-N"	FALSE	FALSE	135	2	3
"56358-09-9"	NA	NA	"Public_CrossChecked"	"CCCCC(CNC1C=CC2C=CC=CC=2C=1N=NC1C=CC(=CC=1C)N=NC1C=CC=CC=1C)CC"	"?"	"InChI=1S/C32H37N5/c1-5-7-13-25(6-2)22-33-31-19-17-26-14-9-10-15-28(26)32(31)37-36-30-20-18-27(21-24(30)4)34-35-29-16-11-8-12-23(29)3/h8-12,14-21,25,33H,5-7,13,22H2,1-4H3"	"HQAXWOAOPDPYHY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"5636-83-9"	"DTXSID9022942"	"Dimethindene"	"EPA_DSSTox"	"CC(C1C2=CC=CC=C2CC=1CCN(C)C)C1C=CC=CN=1"	"?"	"InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3"	"MVMQESMQSYOVGV-UHFFFAOYSA-N"	FALSE	FALSE	618	3	4
"56368-47-9"	"DTXSID40204924"	"Morpholine, 4-benzylthiocarbonyl-"	"EPA_DSSTox"	"O=C(SCC1C=CC=CC=1)N1CCOCC1"	"?"	"InChI=1S/C12H15NO2S/c14-12(13-6-8-15-9-7-13)16-10-11-4-2-1-3-5-11/h1-5H,6-10H2"	"XYHPCPRPHCVTGF-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"5638-76-6"	"DTXSID3022665"	"Betahistine"	"EPA_DSSTox"	"CNCCC1C=CC=CN=1"	"?"	"InChI=1S/C8H12N2/c1-9-7-5-8-4-2-3-6-10-8/h2-4,6,9H,5,7H2,1H3"	"UUQMNUMQCIQDMZ-UHFFFAOYSA-N"	FALSE	TRUE	6110	4	5
"56390-16-0"	NA	NA	"Public_CrossChecked"	"CC1C2CC3C=CC(O)=CC=3C1(C)CCN2CCCC(=O)C1C=CC(F)=CC=1"	"?"	"InChI=1S/C24H28FNO2/c1-16-22-14-18-7-10-20(27)15-21(18)24(16,2)11-13-26(22)12-3-4-23(28)17-5-8-19(25)9-6-17/h5-10,15-16,22,27H,3-4,11-14H2,1-2H3"	"SMDNOEGDKSJRPV-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"56393-22-7"	"DTXSID6021161"	"Pildralazine dihydrochloride"	"EPA_DSSTox"	"CC(O)CN(C)C1=CC=C(NN)N=N1"	"Cl.Cl"	"InChI=1S/C8H15N5O/c1-6(14)5-13(2)8-4-3-7(10-9)11-12-8/h3-4,6,14H,5,9H2,1-2H3,(H,10,11)"	"KYIAWOXNPBANEW-UHFFFAOYSA-N"	FALSE	FALSE	1230	3	4
"564-25-0"	"DTXSID0037653"	"Doxycycline"	"EPA_DSSTox"	"CC1C2C(O)C3C(C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C2C(=O)C2=C1C=CC=C2O)N(C)C"	"?"	"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/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)"	"JBIWCJUYHHGXTC-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"564-94-3"	"DTXSID8052227"	"6,6-Dimethylbicyclo[3.1.1]heptane-2-carbaldehyde"	"EPA_DSSTox"	"CC1(C)C2CC1CCC2C=O"	"?"	"InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h6-9H,3-5H2,1-2H3"	"OOCLVMCVOWKECB-UHFFFAOYSA-N"	FALSE	TRUE	2300	3	5
"56425-91-3"	"DTXSID3024108"	"Flurprimidol"	"EPA_DSSTox"	"CC(C)C(O)(C1C=NC=NC=1)C1C=CC(=CC=1)OC(F)(F)F"	"?"	"InChI=1S/C15H15F3N2O2/c1-10(2)14(21,12-7-19-9-20-8-12)11-3-5-13(6-4-11)22-15(16,17)18/h3-10,21H,1-2H3"	"VEVZCONIUDBCDC-UHFFFAOYSA-N"	FALSE	FALSE	709	3	4
"56427-43-1"	NA	NA	"Public_CrossChecked"	"CC(C(O)=O)C1=CC2=C(C=C1)OCC1C=CC=CC=1C2=O"	"?"	"InChI=1S/C17H14O4/c1-10(17(19)20)11-6-7-15-14(8-11)16(18)13-5-3-2-4-12(13)9-21-15/h2-8,10H,9H2,1H3,(H,19,20)"	"BUQVRUQZFSMMIL-UHFFFAOYSA-N"	FALSE	FALSE	130	2	3
"56430-99-0"	NA	NA	"Public_CrossChecked"	"CCC(O)(C1=CC(=CC=C1)C(F)(F)F)C1C=CC=CC=1"	"?"	"InChI=1S/C16H15F3O/c1-2-15(20,12-7-4-3-5-8-12)13-9-6-10-14(11-13)16(17,18)19/h3-11,20H,2H2,1H3"	"DVASNQYQOZHAJN-UHFFFAOYSA-N"	FALSE	TRUE	2235	3	5
"56461-33-7"	NA	NA	"Public_CrossChecked"	"OC(=O)C1CCC2=C(C=CC=C21)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C17H14O3/c18-16(11-5-2-1-3-6-11)14-8-4-7-12-13(14)9-10-15(12)17(19)20/h1-8,15H,9-10H2,(H,19,20)"	"FXUBHWHRMVGJOG-UHFFFAOYSA-N"	TRUE	FALSE	41.1	1	2
"56461-34-8"	NA	NA	"Public_CrossChecked"	"CC1=CC=C(C=C1)C(=O)C1C=CC=C2C(CCC2=1)C(O)=O"	"?"	"InChI=1S/C18H16O3/c1-11-5-7-12(8-6-11)17(19)15-4-2-3-13-14(15)9-10-16(13)18(20)21/h2-8,16H,9-10H2,1H3,(H,20,21)"	"WZAJBIXBRFTJRC-UHFFFAOYSA-N"	FALSE	FALSE	244	2	3
"56485-47-3"	NA	NA	"Public_CrossChecked"	"NC1CC2C=CC=CC=2CCC1"	"[Cl-]"	"InChI=1S/C11H15N/c12-11-7-3-6-9-4-1-2-5-10(9)8-11/h1-2,4-5,11H,3,6-8,12H2"	"MDVRGZASGHPBAG-UHFFFAOYSA-N"	FALSE	FALSE	270	2	3
"56488-59-6"	NA	NA	"Public_CrossChecked"	"CC(C)(C)C1C=CC(=CC=1)OCC(O)COC1C=CC(=CC=1)C(O)=O"	"?"	"InChI=1S/C20H24O5/c1-20(2,3)15-6-10-18(11-7-15)25-13-16(21)12-24-17-8-4-14(5-9-17)19(22)23/h4-11,16,21H,12-13H2,1-3H3,(H,22,23)"	"PXODZCMXOZRVEN-UHFFFAOYSA-N"	FALSE	TRUE	2400	3	5
"565-64-0"	NA	NA	"Public_CrossChecked"	"OC(=O)C(Cl)CCl"	"?"	"InChI=1S/C3H4Cl2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)"	"GKFWNPPZHDYVLI-UHFFFAOYSA-N"	FALSE	FALSE	289	2	3
"565-74-2"	"DTXSID30870617"	"Butanoic acid, 2-bromo-3-methyl-"	"EPA_DSSTox"	"CC(C)C(Br)C(O)=O"	"?"	"InChI=1S/C5H9BrO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)"	"UEBARDWJXBGYEJ-UHFFFAOYSA-N"	FALSE	FALSE	769	3	4
"565-80-0"	"DTXSID3038771"	"2,4-Dimethylpentan-3-one"	"EPA_DSSTox"	"CC(C)C(=O)C(C)C"	"?"	"InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3"	"HXVNBWAKAOHACI-UHFFFAOYSA-N"	FALSE	TRUE	3536	3	5
"5652-84-6"	"DTXSID2073352"	"Ethanimidic acid, N-cyano-, methyl ester"	"EPA_DSSTox"	"COC(C)=NC#N"	"?"	"InChI=1S/C4H6N2O/c1-4(7-2)6-3-5/h1-2H3"	"LILTZUFNZDRURN-UHFFFAOYSA-N"	FALSE	FALSE	432	2	4
"56534-02-2"	NA	NA	"Public_CrossChecked"	"ClC1CC2C3C1C(Cl)=C(Cl)C2(Cl)C(Cl)=C3Cl"	"?"	"InChI=1S/C10H6Cl6/c11-3-1-2-4-5(3)7(13)9(15)10(2,16)8(14)6(4)12/h2-5H,1H2"	"GSNLXLNDMLYEEK-UHFFFAOYSA-N"	FALSE	TRUE	10200	4	5
"56538-00-2"	"DTXSID00205098"	"Phenol, 2-(((2-chloroethyl)amino)methyl)-4-nitro-"	"EPA_DSSTox"	"[O-][N+](=O)C1C=C(CNCCCl)C(O)=CC=1"	"?"	"InChI=1S/C9H11ClN2O3/c10-3-4-11-6-7-5-8(12(14)15)1-2-9(7)13/h1-2,5,11,13H,3-4,6H2"	"YGVGEVVZUDZKTR-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"56538-01-3"	"DTXSID60205099"	"Benzylamine, N-(2-chloroethyl)-2-methoxy-5-nitro-"	"EPA_DSSTox"	"COC1C=CC(=CC=1CNCCCl)[N+]([O-])=O"	"?"	"InChI=1S/C10H13ClN2O3/c1-16-10-3-2-9(13(14)15)6-8(10)7-12-5-4-11/h2-3,6,12H,4-5,7H2,1H3"	"APKWZCHXKUTRGW-UHFFFAOYSA-N"	TRUE	FALSE	28	1	2
"56552-15-9"	"DTXSID50886199"	"1,3-Dioxolane, 4,4'-[oxybis(methylene)]bis-"	"EPA_DSSTox"	"C(OCC1COCO1)C1COCO1"	"?"	"InChI=1S/C8H14O5/c1(7-3-10-5-12-7)9-2-8-4-11-6-13-8/h7-8H,1-6H2"	"GBTVFZDADUZIIQ-UHFFFAOYSA-N"	FALSE	TRUE	5148	4	5
"56611-65-5"	"DTXSID9023469"	"Phthalazinol"	"EPA_DSSTox"	"CCOC(=O)C1=C(C)C=C2C(CO)=NNC(=O)C2=C1C"	"?"	"InChI=1S/C14H16N2O4/c1-4-20-14(19)11-7(2)5-9-10(6-17)15-16-13(18)12(9)8(11)3/h5,17H,4,6H2,1-3H3,(H,16,18)"	"DUQOOLBWGUKRAJ-UHFFFAOYSA-N"	FALSE	FALSE	1750	3	4
"56619-72-8"	NA	NA	"Public_CrossChecked"	"CC(=O)N1CCSC1C(=O)OC1=C(CO)C(CO)=CN=C1C"	"?"	"InChI=1S/C14H18N2O5S/c1-8-12(11(7-18)10(6-17)5-15-8)21-14(20)13-16(9(2)19)3-4-22-13/h5,13,17-18H,3-4,6-7H2,1-2H3"	"VGNNZGLPSPBMAI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"5663-71-8"	"DTXSID9046108"	"Acetylsalicylamide"	"EPA_DSSTox"	"CC(=O)NC(=O)C1=CC=CC=C1O"	"?"	"InChI=1S/C9H9NO3/c1-6(11)10-9(13)7-4-2-3-5-8(7)12/h2-5,12H,1H3,(H,10,11,13)"	"JZWFDVDETGFGFC-UHFFFAOYSA-N"	FALSE	FALSE	1800	3	4
"56632-42-9"	"DTXSID70205207"	"DAN 605"	"EPA_DSSTox"	"CC1=CC=CC2=C1NC(=O)C2(C1C=CC(=CC=1)OC(=O)OCC)C1C=CC(=CC=1)OC(=O)OCC"	"?"	"InChI=1S/C27H25NO7/c1-4-32-25(30)34-20-13-9-18(10-14-20)27(22-8-6-7-17(3)23(22)28-24(27)29)19-11-15-21(16-12-19)35-26(31)33-5-2/h6-16H,4-5H2,1-3H3,(H,28,29)"	"NMWSGVRSCBTVRV-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"56677-60-2"	"DTXSID40205239"	"Tetradecyl chloroformate"	"EPA_DSSTox"	"CCCCCCCCCCCCCCOC(=O)Cl"	"?"	"InChI=1S/C15H29ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15(16)17/h2-14H2,1H3"	"KQHBSKZGPQPRIT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"56706-10-6"	"DTXSID5069122"	"3,14-Dioxa-8,9-dithia-4,13-disilahexadecane, 4,4,13,13-tetraethoxy-"	"EPA_DSSTox"	"CCO[Si](CCCSSCCC[Si](OCC)(OCC)OCC)(OCC)OCC"	"?"	"InChI=1S/C18H42O6S2Si2/c1-7-19-27(20-8-2,21-9-3)17-13-15-25-26-16-14-18-28(22-10-4,23-11-5)24-12-6/h7-18H2,1-6H3"	"FBBATURSCRIBHN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"56717-11-4"	"DTXSID5042295"	"Piproctanyl bromide"	"EPA_DSSTox"	"CC(C)CCCC(C)CC[N+]1(CC=C)CCCCC1"	"[Br-]"	"InChI=1S/C18H36N/c1-5-13-19(14-7-6-8-15-19)16-12-18(4)11-9-10-17(2)3/h5,17-18H,1,6-16H2,2-4H3/q+1"	"NTHCPJMKRGXODE-UHFFFAOYSA-N"	FALSE	FALSE	360	2	4
"56741-95-8"	"DTXSID5046803"	"Bropirimine"	"EPA_DSSTox"	"NC1NC(=C(Br)C(=O)N=1)C1C=CC=CC=1"	"?"	"InChI=1S/C10H8BrN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15)"	"CIUUIPMOFZIWIZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"56747-96-7"	NA	NA	"Public_CrossChecked"	"CC1(C)CC2C1CCC1(C)CC2(O)CCC1"	"?"	"InChI=1S/C15H26O/c1-13(2)9-12-11(13)5-8-14(3)6-4-7-15(12,16)10-14/h11-12,16H,4-10H2,1-3H3"	"FUQAYSQLAOJBBC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"5675-57-0"	NA	NA	"Public_CrossChecked"	"CC(=CC(=O)OCC)OP(=O)(OCC)OCC"	"?"	"InChI=1S/C10H19O6P/c1-5-13-10(11)8-9(4)16-17(12,14-6-2)15-7-3/h8H,5-7H2,1-4H3"	"JHCCEPMFFLZBLL-UHFFFAOYSA-N"	TRUE	FALSE	22	1	2
"56775-88-3"	"DTXSID6048462"	"Zimeldine"	"EPA_DSSTox"	"CN(C)CC=C(C1=CN=CC=C1)C1C=CC(Br)=CC=1"	"?"	"InChI=1S/C16H17BrN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3"	"OYPPVKRFBIWMSX-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"56776-01-3"	"DTXSID3045805"	"Tulobuterol hydrochloride"	"EPA_DSSTox"	"CC(C)(C)NCC(O)C1=CC=CC=C1Cl"	"Cl"	"InChI=1S/C12H18ClNO/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13/h4-7,11,14-15H,8H2,1-3H3"	"YREYLAVBNPACJM-UHFFFAOYSA-N"	FALSE	FALSE	560	3	4
"56796-39-5"	"DTXSID5045590"	"Cefmetazole sodium"	"EPA_DSSTox"	"CN1N=NN=C1SCC1CSC2N(C=1C(O)=O)C(=O)C2(NC(=O)CSCC#N)OC"	"[Na+]"	"InChI=1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)"	"SNBUBQHDYVFSQF-UHFFFAOYSA-N"	FALSE	TRUE	3204	3	5
"5683-30-7"	"DTXSID7063978"	"3-(Trimethylsilyl)propionic acid"	"EPA_DSSTox"	"C[Si](C)(C)CCC(O)=O"	"?"	"InChI=1S/C6H14O2Si/c1-9(2,3)5-4-6(7)8/h4-5H2,1-3H3,(H,7,8)"	"NONFLFDSOSZQHR-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"56856-83-8"	"DTXSID50205386"	"Methyl(acetoxymethyl)nitrosamine"	"EPA_DSSTox"	"CC(=O)OCN(C)N=O"	"?"	"InChI=1S/C4H8N2O3/c1-4(7)9-3-6(2)5-8/h3H2,1-2H3"	"WBXQXRXMGCOVHA-UHFFFAOYSA-N"	FALSE	FALSE	130	2	3
"569-65-3"	"DTXSID0023242"	"Meclizine"	"EPA_DSSTox"	"CC1=CC(CN2CCN(CC2)C(C2C=CC=CC=2)C2C=CC(Cl)=CC=2)=CC=C1"	"?"	"InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3"	"OCJYIGYOJCODJL-UHFFFAOYSA-N"	FALSE	FALSE	1750	3	4
"56903-65-2"	"DTXSID10205443"	"Benzamide, N-(3-(1,3-benzodioxol-5-yl)-1-(2-(1,3-benzodioxol-5-yl)ethyl)propyl)-4-chloro-"	"EPA_DSSTox"	"O=C(NC(CCC1=CC2OCOC=2C=C1)CCC1=CC2OCOC=2C=C1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C26H24ClNO5/c27-20-7-5-19(6-8-20)26(29)28-21(9-1-17-3-11-22-24(13-17)32-15-30-22)10-2-18-4-12-23-25(14-18)33-16-31-23/h3-8,11-14,21H,1-2,9-10,15-16H2,(H,28,29)"	"MKJIBQCVJYDGFJ-UHFFFAOYSA-N"	FALSE	FALSE	1800	3	4
"56961-25-2"	"DTXSID30205526"	"4-Amino-3,5-dichlorobenzoic acid"	"EPA_DSSTox"	"NC1C(Cl)=CC(=CC=1Cl)C(O)=O"	"?"	"InChI=1S/C7H5Cl2NO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,10H2,(H,11,12)"	"UHXYYTSWBYTDPD-UHFFFAOYSA-N"	FALSE	TRUE	4618	3	5
"56962-04-0"	"DTXSID80627097"	"3-Bromo-5-chlorophenol"	"EPA_DSSTox"	"OC1=CC(Br)=CC(Cl)=C1"	"?"	"InChI=1S/C6H4BrClO/c7-4-1-5(8)3-6(9)2-4/h1-3,9H"	"GMGWXLPFRHYWAS-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"56966-52-0"	"DTXSID7069150"	"5-Chloro-2-(2,4-dichlorophenoxy)aniline"	"EPA_DSSTox"	"NC1C=C(Cl)C=CC=1OC1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C12H8Cl3NO/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H,16H2"	"SOOLDKUMSVNBIW-UHFFFAOYSA-N"	FALSE	TRUE	2287	3	5
"5697-56-3"	"DTXSID4022733"	"Carbenoxolone"	"EPA_DSSTox"	"CC1(C)C(CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O)OC(=O)CCC(O)=O"	"?"	"InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)"	"OBZHEBDUNPOCJG-UHFFFAOYSA-N"	FALSE	TRUE	2450	3	5
"56973-16-1"	"DTXSID00205573"	"Maleimide, 1,1'-(tetrafluoro-m-phenylene)di-"	"EPA_DSSTox"	"O=C1C=CC(=O)N1C1=C(F)C(F)=C(F)C(=C1F)N1C(=O)C=CC1=O"	"?"	"InChI=1S/C14H4F4N2O4/c15-9-10(16)13(19-5(21)1-2-6(19)22)12(18)14(11(9)17)20-7(23)3-4-8(20)24/h1-4H"	"SUPCLWXGARWYKB-UHFFFAOYSA-N"	FALSE	TRUE	2100	3	5
"56974-61-9"	"DTXSID0045591"	"Gabexate mesilate"	"EPA_DSSTox"	"[H]/N=C(\N)/NCCCCCC(=O)OC1C=CC(=CC=1)C(=O)OCC"	"CS(O)(=O)=O"	"InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)"	"YKGYIDJEEQRWQH-UHFFFAOYSA-N"	FALSE	TRUE	6480	4	5
"56983-13-2"	NA	NA	"Public_CrossChecked"	"CCC1CC2=CC(CC(O)=O)=CC=C2O1"	"?"	"InChI=1S/C12H14O3/c1-2-10-7-9-5-8(6-12(13)14)3-4-11(9)15-10/h3-5,10H,2,6-7H2,1H3,(H,13,14)"	"MYQXHLQMZLTSDB-UHFFFAOYSA-N"	FALSE	FALSE	1295	3	4
"57-06-7"	"DTXSID3020047"	"Allyl isothiocyanate"	"EPA_DSSTox"	"C=CCN=C=S"	"?"	"InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2"	"ZOJBYZNEUISWFT-UHFFFAOYSA-N"	FALSE	FALSE	112	2	3
"57-09-0"	"DTXSID5037028"	"Hexadecyltrimethylammonium bromide"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCC[N+](C)(C)C"	"[Br-]"	"InChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1"	"RLGQACBPNDBWTB-UHFFFAOYSA-N"	FALSE	FALSE	410	2	4
"57-10-3"	"DTXSID2021602"	"Hexadecanoic acid"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCC(O)=O"	"?"	"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)"	"IPCSVZSSVZVIGE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"57-11-4"	"DTXSID8021642"	"Octadecanoic acid"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCC(O)=O"	"?"	"InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)"	"QIQXTHQIDYTFRH-UHFFFAOYSA-N"	FALSE	TRUE	4600	3	5
"57-13-6"	"DTXSID4021426"	"Urea"	"EPA_DSSTox"	"NC(N)=O"	"?"	"InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)"	"XSQUKJJJFZCRTK-UHFFFAOYSA-N"	FALSE	TRUE	8471	4	5
"57-14-7"	"DTXSID1020516"	"1,1-Dimethylhydrazine"	"EPA_DSSTox"	"CN(C)N"	"?"	"InChI=1S/C2H8N2/c1-4(2)3/h3H2,1-2H3"	"RHUYHJGZWVXEHW-UHFFFAOYSA-N"	FALSE	FALSE	122	2	3
"57-24-9"	"DTXSID6023600"	"Strychnine"	"EPA_DSSTox"	"O=C1CC2OCC=C3CN4CCC56C(C2C3CC54)N1C1C=CC=CC6=1"	"?"	"InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2"	"QMGVPVSNSZLJIA-UHFFFAOYSA-N"	TRUE	FALSE	3.575	1	1
"57-27-2"	"DTXSID9023336"	"Morphine"	"EPA_DSSTox"	"CN1CCC23C4OC5C2=C(CC1C3C=CC4O)C=CC=5O"	"?"	"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"	FALSE	FALSE	335	2	4
"57-29-4"	"DTXSID3047847"	"Nalorphine hydrochloride"	"EPA_DSSTox"	"C=CCN1CCC23C4OC5C2=C(CC1C3C=CC4O)C=CC=5O"	"Cl"	"InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2"	"UIQMVEYFGZJHCZ-UHFFFAOYSA-N"	FALSE	FALSE	1150	3	4
"57-30-7"	"DTXSID0021123"	"Phenobarbital sodium"	"EPA_DSSTox"	"CCC1(C2C=CC=CC=2)C(=O)NC(O)=NC1=O"	"[Na+]"	"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"	FALSE	FALSE	150	2	3
"57-33-0"	"DTXSID9021712"	"Pentobarbital sodium"	"EPA_DSSTox"	"CCC1(C(C)CCC)C(=O)NC(O)=NC1=O"	"[Na+]"	"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"	FALSE	FALSE	52	2	3
"57-37-4"	"DTXSID8052774"	"Benactyzine hydrochloride"	"EPA_DSSTox"	"CCN(CCOC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1)CC"	"Cl"	"InChI=1S/C20H25NO3/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,23H,3-4,15-16H2,1-2H3"	"IVQOFBKHQCTVQV-UHFFFAOYSA-N"	FALSE	FALSE	184	2	3
"57-41-0"	"DTXSID8020541"	"5,5-Diphenylhydantoin"	"EPA_DSSTox"	"O=C1NC(=O)C(N1)(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"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"	FALSE	FALSE	250	2	3
"57-42-1"	"DTXSID9023253"	"Meperidine"	"EPA_DSSTox"	"CCOC(=O)C1(CCN(C)CC1)C1C=CC=CC=1"	"?"	"InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3"	"XADCESSVHJOZHK-UHFFFAOYSA-N"	FALSE	FALSE	162	2	3
"57-43-2"	"DTXSID9020081"	"Amobarbital"	"EPA_DSSTox"	"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"	FALSE	FALSE	250	2	3
"57-50-1"	"DTXSID2021288"	"Sucrose"	"EPA_DSSTox"	"OC1C(OC(CO)C(O)C1O)OC1(CO)OC(CO)C(O)C1O"	"?"	"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2"	"CZMRCDWAGMRECN-UHFFFAOYSA-N"	FALSE	TRUE	29700	4	5
"57-53-4"	"DTXSID3023261"	"Meprobamate"	"EPA_DSSTox"	"CCCC(C)(COC(N)=O)COC(N)=O"	"?"	"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"	FALSE	FALSE	794	3	4
"57-55-6"	"DTXSID0021206"	"1,2-Propylene glycol"	"EPA_DSSTox"	"CC(O)CO"	"?"	"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3"	"DNIAPMSPPWPWGF-UHFFFAOYSA-N"	FALSE	TRUE	20000	4	5
"57-66-9"	"DTXSID9021188"	"Probenecid"	"EPA_DSSTox"	"CCCN(CCC)S(=O)(=O)C1C=CC(=CC=1)C(O)=O"	"?"	"InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)"	"DBABZHXKTCFAPX-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"57-85-2"	"DTXSID9036515"	"Testosterone propionate"	"EPA_DSSTox"	"CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C"	"?"	"InChI=1S/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3"	"PDMMFKSKQVNJMI-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"57-88-5"	"DTXSID3022401"	"Cholesterol"	"EPA_DSSTox"	"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"	FALSE	TRUE	NA	3	5
"57-92-1"	"DTXSID4023597"	"Streptomycin A"	"EPA_DSSTox"	"[H]/N=C(\N)/NC1C(OC2OC(C)C(O)(C=O)C2OC2OC(CO)C(O)C(O)C2NC)C(O)C(O)C(N/C(/N)=N/[H])C1O"	"?"	"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"	FALSE	TRUE	9000	4	5
"57-96-5"	"DTXSID0023618"	"Sulfinpyrazone"	"EPA_DSSTox"	"O=S(CCC1C(=O)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O)C1C=CC=CC=1"	"?"	"InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2"	"MBGGBVCUIVRRBF-UHFFFAOYSA-N"	FALSE	FALSE	358	2	4
"57-97-6"	"DTXSID1020510"	"7,12-Dimethylbenz(a)anthracene"	"EPA_DSSTox"	"CC1=C2C=CC3C=CC=CC=3C2=C(C)C2C=CC=CC1=2"	"?"	"InChI=1S/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3"	"ARSRBNBHOADGJU-UHFFFAOYSA-N"	FALSE	FALSE	327	2	4
"57018-52-7"	"DTXSID8025967"	"1-tert-Butoxy-2-propanol"	"EPA_DSSTox"	"CC(O)COC(C)(C)C"	"?"	"InChI=1S/C7H16O2/c1-6(8)5-9-7(2,3)4/h6,8H,5H2,1-4H3"	"GQCZPFJGIXHZMB-UHFFFAOYSA-N"	FALSE	TRUE	3771	3	5
"57021-61-1"	"DTXSID80877494"	"Isonixin"	"EPA_DSSTox"	"CC1C=CC=C(C)C=1/N=C(\O)/C1C=CC=NC=1O"	"?"	"InChI=1S/C14H14N2O2/c1-9-5-3-6-10(2)12(9)16-14(18)11-7-4-8-15-13(11)17/h3-8H,1-2H3,(H,15,17)(H,16,18)"	"WJDDCFNFNAHLAF-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"57052-04-7"	"DTXSID7042067"	"Isomethiozin"	"EPA_DSSTox"	"CSC1=NN=C(C(=O)N1N=CC(C)C)C(C)(C)C"	"?"	"InChI=1S/C12H20N4OS/c1-8(2)7-13-16-10(17)9(12(3,4)5)14-15-11(16)18-6/h7-8H,1-6H3"	"MZTLOILRKLUURT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"57057-83-7"	"DTXSID7052232"	"3,4,5-Trichloro-2-methoxyphenol"	"EPA_DSSTox"	"COC1=C(O)C=C(Cl)C(Cl)=C1Cl"	"?"	"InChI=1S/C7H5Cl3O2/c1-12-7-4(11)2-3(8)5(9)6(7)10/h2,11H,1H3"	"RKEHLKXRUVUBJN-UHFFFAOYSA-N"	FALSE	TRUE	2980	3	5
"57081-55-7"	NA	NA	"Public_CrossChecked"	"CN1CCC(CC1)OC(=O)COC1C=CC(CC2C=CC(Cl)=CC=2)=CC=1"	"[Cl-]"	"InChI=1S/C21H24ClNO3/c1-23-12-10-20(11-13-23)26-21(24)15-25-19-8-4-17(5-9-19)14-16-2-6-18(22)7-3-16/h2-9,20H,10-15H2,1H3"	"VPSGUYXXEQVJIM-UHFFFAOYSA-N"	FALSE	FALSE	1900	3	4
"57117-31-4"	"DTXSID7030066"	"2,3,4,7,8-Pentachlorodibenzofuran"	"EPA_DSSTox"	"ClC1=C(Cl)C2OC3C=C(Cl)C(Cl)=CC=3C=2C=C1Cl"	"?"	"InChI=1S/C12H3Cl5O/c13-6-1-4-5-2-8(15)10(16)11(17)12(5)18-9(4)3-7(6)14/h1-3H"	"OGBQILNBLMPPDP-UHFFFAOYSA-N"	TRUE	FALSE	0.916	1	1
"57144-56-6"	NA	NA	"Public_CrossChecked"	"CC(C)C1CC2C=C(C=CC=2C1)C(C)C(O)=O"	"?"	"InChI=1S/C15H20O2/c1-9(2)13-7-12-5-4-11(6-14(12)8-13)10(3)15(16)17/h4-6,9-10,13H,7-8H2,1-3H3,(H,16,17)"	"RYDUZJFCKYTEHX-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"57149-07-2"	"DTXSID5045176"	"Naftopidil"	"EPA_DSSTox"	"COC1C=CC=CC=1N1CCN(CC(O)COC2C=CC=C3C=CC=CC3=2)CC1"	"?"	"InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3"	"HRRBJVNMSRJFHQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"57165-58-9"	"DTXSID00205816"	"Ethanone, 2-(3,4-dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)-"	"EPA_DSSTox"	"OC1=C(C=CC(O)=C1O)C(=O)CC1=CC(O)=C(O)C=C1"	"?"	"InChI=1S/C14H12O6/c15-9-3-1-7(6-12(9)18)5-11(17)8-2-4-10(16)14(20)13(8)19/h1-4,6,15-16,18-20H,5H2"	"LJCVUKQHTRALER-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"5721-72-2"	"DTXSID90205840"	"Carbamic acid, methyl-, 5-hydroxy-1-naphthyl ester"	"EPA_DSSTox"	"CNC(=O)OC1=CC=CC2C(O)=CC=CC=21"	"?"	"InChI=1S/C12H11NO3/c1-13-12(15)16-11-7-3-4-8-9(11)5-2-6-10(8)14/h2-7,14H,1H3,(H,13,15)"	"MDIMSJGGKSUKJZ-UHFFFAOYSA-N"	FALSE	FALSE	297	2	3
"5724-56-1"	"DTXSID80205854"	"2,3-Dimethylbenzonitrile"	"EPA_DSSTox"	"CC1=C(C=CC=C1C)C#N"	"?"	"InChI=1S/C9H9N/c1-7-4-3-5-9(6-10)8(7)2/h3-5H,1-2H3"	"ZEDPQIJYJCPIRM-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"5726-19-2"	NA	NA	"Public_CrossChecked"	"CC1CCCCC1OC(C)=O"	"?"	"InChI=1S/C9H16O2/c1-7-5-3-4-6-9(7)11-8(2)10/h7,9H,3-6H2,1-2H3"	"AKIIJALHGMKJEJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"57282-49-2"	"DTXSID80886223"	"L-Lysine, acetate (1:1)"	"EPA_DSSTox"	"NCCCCC(N)C(O)=O"	"CC(O)=O"	"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)"	"KDXKERNSBIXSRK-UHFFFAOYSA-N"	FALSE	TRUE	11400	4	5
"573-58-0"	"DTXSID4022816"	"C.I. Direct Red 28"	"EPA_DSSTox"	"NC1C2C=CC=CC=2C(=CC=1N=NC1C=CC(=CC=1)C1C=CC(=CC=1)N=NC1C=C(C2C=CC=CC=2C=1N)S(O)(=O)=O)S(O)(=O)=O"	"[Na+].[Na+]"	"InChI=1S/C32H24N6O6S2/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44)"	"HFHIDKQMGIGARX-UHFFFAOYSA-N"	FALSE	TRUE	15200	4	5
"57333-96-7"	NA	NA	"Public_CrossChecked"	"CC(C)C(O)CCC(C)C1CCC2C(CCCC21C)=CC=C1CC(O)CC(O)C1=C"	"?"	"InChI=1S/C27H44O3/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3"	"BJYLYJCXYAMOFT-UHFFFAOYSA-N"	TRUE	FALSE	3.279	1	1
"57342-05-9"	NA	NA	"Public_CrossChecked"	"CN1CCN(CC1)C1=CC2C=CC=CC=2OC2=CC=C(F)C=C21"	"C(=C/C(=O)[O-])/C(=O)O"	"InChI=1S/C19H19FN2O/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,12-13H,8-11H2,1H3"	"XEXXTDQTPNGWPK-UHFFFAOYSA-N"	FALSE	FALSE	646	3	4
"5736-15-2"	"DTXSID4041313"	"2,2'-Methylenebis(3,4,6-trichlorophenol) monosodium salt"	"EPA_DSSTox"	"OC1C(CC2C(Cl)=C(Cl)C=C(Cl)C=2O)=C(Cl)C(Cl)=CC=1Cl"	"[Na+]"	"InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2"	"ACGUYXCXAPNIKK-UHFFFAOYSA-N"	FALSE	FALSE	59.184	2	3
"5736-70-9"	"DTXSID50205962"	"m-Cresol, 6-butyl-"	"EPA_DSSTox"	"CC1C=CC(CCCC)=C(O)C=1"	"?"	"InChI=1S/C11H16O/c1-3-4-5-10-7-6-9(2)8-11(10)12/h6-8,12H,3-5H2,1-2H3"	"BHIIOLWIZLICII-UHFFFAOYSA-N"	FALSE	FALSE	1100	3	4
"57369-32-1"	"DTXSID6058132"	"Pyroquilon"	"EPA_DSSTox"	"O=C1CCC2C=CC=C3CCN1C=23"	"?"	"InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2"	"XRJLAOUDSILTFT-UHFFFAOYSA-N"	FALSE	FALSE	321	2	4
"57375-63-0"	"DTXSID80205970"	"Phenisopham [BSI:ISO]"	"EPA_DSSTox"	"CCN(C1C=CC=CC=1)C(=O)OC1=CC(=CC=C1)NC(=O)OC(C)C"	"?"	"InChI=1S/C19H22N2O4/c1-4-21(16-10-6-5-7-11-16)19(23)25-17-12-8-9-15(13-17)20-18(22)24-14(2)3/h5-14H,4H2,1-3H3,(H,20,22)"	"PWEOEHNGYFXZLI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"574-25-4"	"DTXSID5046019"	"Thioinosine"	"EPA_DSSTox"	"OCC1OC(C(O)C1O)N1C=NC2C(S)=NC=NC1=2"	"?"	"InChI=1S/C10H12N4O4S/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)"	"NKGPJODWTZCHGF-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"57432-61-8"	NA	NA	"Public_CrossChecked"	"CCC(CO)NC(=O)C1CN(C)C2CC3=CNC4C=CC=C(C3=4)C2=C1"	"C(=C/C(=O)O)/C(=O)O"	"InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)"	"UNBRKDKAWYKMIV-UHFFFAOYSA-N"	FALSE	FALSE	93	2	3
"57470-78-7"	"DTXSID0046850"	"Celiprolol hydrochloride"	"EPA_DSSTox"	"CC(=O)C1C=C(C=CC=1OCC(O)CNC(C)(C)C)NC(=O)N(CC)CC"	"Cl"	"InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)"	"JOATXPAWOHTVSZ-UHFFFAOYSA-N"	FALSE	TRUE	2157	3	5
"57472-68-1"	"DTXSID2052237"	"Dipropylene glycol diacrylate"	"EPA_DSSTox"	"CC(COCC(C)OC(=O)C=C)OC(=O)C=C"	"?"	"InChI=1S/C12H18O5/c1-5-11(13)16-9(3)7-15-8-10(4)17-12(14)6-2/h5-6,9-10H,1-2,7-8H2,3-4H3"	"RNJVAUBBYGWVBF-UHFFFAOYSA-N"	FALSE	TRUE	4600	3	5
"57495-14-4"	NA	NA	"Public_CrossChecked"	"CC(C(O)=O)C1C=CC=C(C=1)C(=O)C1C=CC=CC=1"	"[Na+]"	"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"	FALSE	FALSE	215	2	3
"57524-15-9"	NA	NA	"Public_CrossChecked"	"CC1C=CC(NC2NCCN=2)=C(Cl)C=1"	"[N+](=O)(O)[O-]"	"InChI=1S/C10H12ClN3/c1-7-2-3-9(8(11)6-7)14-10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H2,12,13,14)"	"KWBTZIFLQYYPTH-UHFFFAOYSA-N"	FALSE	FALSE	420	2	4
"57558-46-0"	NA	NA	"Public_CrossChecked"	"CC(CC1=CC=C(C=C1)OC)N(CCCC(=O)C1CCCCC1)CC"	"?"	"InChI=1S/C22H35NO2/c1-4-23(16-8-11-22(24)20-9-6-5-7-10-20)18(2)17-19-12-14-21(25-3)15-13-19/h12-15,18,20H,4-11,16-17H2,1-3H3"	"WAVYHSURRZBQKO-UHFFFAOYSA-N"	FALSE	FALSE	369	2	4
"57583-54-7"	"DTXSID8069197"	"Resorcinol bis(diphenyl phosphate)"	"EPA_DSSTox"	"O=P(OC1=CC(=CC=C1)OP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1)(OC1C=CC=CC=1)OC1C=CC=CC=1"	"?"	"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"	FALSE	TRUE	NA	4	5
"576-26-1"	"DTXSID9024063"	"2,6-Dimethylphenol"	"EPA_DSSTox"	"CC1C=CC=C(C)C=1O"	"?"	"InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3"	"NXXYKOUNUYWIHA-UHFFFAOYSA-N"	FALSE	FALSE	296	2	3
"57614-25-2"	"DTXSID10206278"	"1H-Indazole, 1-(3-(dimethylamino)propyl)-5-methyl-3-phenyl-, hydrochloride"	"EPA_DSSTox"	"CN(C)CCCN1N=C(C2C=C(C)C=CC1=2)C1C=CC=CC=1"	"Cl"	"InChI=1S/C19H23N3/c1-15-10-11-18-17(14-15)19(16-8-5-4-6-9-16)20-22(18)13-7-12-21(2)3/h4-6,8-11,14H,7,12-13H2,1-3H3"	"RPMHNSAROBYJCB-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"5763-44-0"	NA	NA	"Public_CrossChecked"	"O=C1NC(=O)C2CCCC12"	"?"	"InChI=1S/C7H9NO2/c9-6-4-2-1-3-5(4)7(10)8-6/h4-5H,1-3H2,(H,8,9,10)"	"QCWDCTDYSDJKTP-UHFFFAOYSA-N"	FALSE	NA	NA	NA	NA
"57645-49-5"	"DTXSID80206341"	"Desbenzylclebopride"	"EPA_DSSTox"	"COC1C=C(N)C(Cl)=CC=1C(=O)NC1CCNCC1"	"?"	"InChI=1S/C13H18ClN3O2/c1-19-12-7-11(15)10(14)6-9(12)13(18)17-8-2-4-16-5-3-8/h6-8,16H,2-5,15H2,1H3,(H,17,18)"	"RUQHFNWNPDBISK-UHFFFAOYSA-N"	FALSE	TRUE	2550	3	5
"57646-30-7"	"DTXSID4047543"	"Furalaxyl"	"EPA_DSSTox"	"COC(=O)C(C)N(C1C(C)=CC=CC=1C)C(=O)C1=CC=CO1"	"?"	"InChI=1S/C17H19NO4/c1-11-7-5-8-12(2)15(11)18(13(3)17(20)21-4)16(19)14-9-6-10-22-14/h5-10,13H,1-4H3"	"CIEXPHRYOLIQQD-UHFFFAOYSA-N"	FALSE	FALSE	940	3	4
"57647-13-9"	NA	NA	"Public_CrossChecked"	"CCN(CCN(CCN(CC)CC)N1C=C(C2=CC=CC=C12)C1C=CC=CC=1)CC"	"[Cl-].[Cl-]"	"InChI=1S/C26H38N4/c1-5-27(6-2)18-20-29(21-19-28(7-3)8-4)30-22-25(23-14-10-9-11-15-23)24-16-12-13-17-26(24)30/h9-17,22H,5-8,18-21H2,1-4H3"	"YDVUIRFYPIHISF-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"57647-36-6"	NA	NA	"Public_CrossChecked"	"CN(CCN(CC)CC)N1C=C(C2=CC=CC=C12)C1C=CC=CC=1"	"[Cl-]"	"InChI=1S/C21H27N3/c1-4-23(5-2)16-15-22(3)24-17-20(18-11-7-6-8-12-18)19-13-9-10-14-21(19)24/h6-14,17H,4-5,15-16H2,1-3H3"	"URTCZNOGXYSEBM-UHFFFAOYSA-N"	FALSE	FALSE	650	3	4
"57647-53-7"	NA	NA	"Public_CrossChecked"	"CC1C=C2C(=CC=1)N(C=C2C1C=CC=CC=1)N(CCN(C)C)CCN(C)C"	"[Cl-].[Cl-]"	"InChI=1S/C23H32N4/c1-19-11-12-23-21(17-19)22(20-9-7-6-8-10-20)18-27(23)26(15-13-24(2)3)16-14-25(4)5/h6-12,17-18H,13-16H2,1-5H3"	"FJAGNQPAYBZUBI-UHFFFAOYSA-N"	FALSE	FALSE	980	3	4
"57648-21-2"	"DTXSID9023673"	"Timiperone"	"EPA_DSSTox"	"O=C(CCCN1CCC(CC1)N1C(=S)NC2C=CC=CC1=2)C1C=CC(F)=CC=1"	"?"	"InChI=1S/C22H24FN3OS/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)"	"YDLQKLWVKKFPII-UHFFFAOYSA-N"	FALSE	FALSE	232	2	3
"57653-85-7"	"DTXSID0023824"	"1,2,3,6,7,8-Hexachlorodibenzo-p-dioxin"	"EPA_DSSTox"	"ClC1C=C2OC3C(=CC(Cl)=C(Cl)C=3Cl)OC2=C(Cl)C=1Cl"	"?"	"InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-6-2-4(14)8(16)10(18)12(6)19-5/h1-2H"	"YCLUIPQDHHPDJJ-UHFFFAOYSA-N"	TRUE	FALSE	0.8	1	1
"5766-48-3"	NA	NA	"Public_CrossChecked"	"ClCCN1CC(CCC1)C(C1C=CC=CC=1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C20H24ClN/c21-13-15-22-14-7-12-19(16-22)20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2"	"YDXJKFLKXFKVPS-UHFFFAOYSA-N"	FALSE	FALSE	970	3	4
"5766-67-6"	"DTXSID9027603"	"(Ethylenedinitrilo)tetraacetonitrile"	"EPA_DSSTox"	"N#CCN(CC#N)CCN(CC#N)CC#N"	"?"	"InChI=1S/C10H12N6/c11-1-5-15(6-2-12)9-10-16(7-3-13)8-4-14/h5-10H2"	"FDWRKVKXYZRYOD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"5766-76-7"	NA	NA	"Public_CrossChecked"	"OC(=O)C1C=CC=CC=1N=CC1C=CC=CC=1"	"?"	"InChI=1S/C14H11NO2/c16-14(17)12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-10H,(H,16,17)"	"RSSOEXVKHMRAGG-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"577-91-3"	"DTXSID6046131"	"Iodoalphionic acid"	"EPA_DSSTox"	"OC1C(I)=CC(CC(C2C=CC=CC=2)C(O)=O)=CC=1I"	"?"	"InChI=1S/C15H12I2O3/c16-12-7-9(8-13(17)14(12)18)6-11(15(19)20)10-4-2-1-3-5-10/h1-5,7-8,11,18H,6H2,(H,19,20)"	"IKYIXZSIKOYSLD-UHFFFAOYSA-N"	FALSE	FALSE	1100	3	4
"57726-65-5"	"DTXSID80206427"	"Nufenoxole"	"EPA_DSSTox"	"CC1=NN=C(O1)C(CCN1CC2CCC1CC2)(C1=CC=CC=C1)C1=CC=CC=C1"	"?"	"InChI=1S/C25H29N3O/c1-19-26-27-24(29-19)25(21-8-4-2-5-9-21,22-10-6-3-7-11-22)16-17-28-18-20-12-14-23(28)15-13-20/h2-11,20,23H,12-18H2,1H3"	"CVOCKGAVXLCEGM-UHFFFAOYSA-N"	FALSE	FALSE	105	2	3
"57729-86-9"	"DTXSID7073567"	"2,4-Dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)aniline"	"EPA_DSSTox"	"[O-][N+](=O)C1C=C(C(NC2C(Br)=CC(Br)=CC=2Br)=C(C=1)[N+]([O-])=O)C(F)(F)F"	"?"	"InChI=1S/C13H5Br3F3N3O4/c14-5-1-8(15)12(9(16)2-5)20-11-7(13(17,18)19)3-6(21(23)24)4-10(11)22(25)26/h1-4,20H"	"INVHIPJJDSPNJY-UHFFFAOYSA-N"	TRUE	FALSE	4.43	1	1
"57808-65-8"	"DTXSID6040662"	"Closantel"	"EPA_DSSTox"	"CC1=CC(C(C#N)C2C=CC(Cl)=CC=2)=C(Cl)C=C1NC(=O)C1C=C(I)C=C(I)C=1O"	"?"	"InChI=1S/C22H14Cl2I2N2O2/c1-11-6-15(17(10-27)12-2-4-13(23)5-3-12)18(24)9-20(11)28-22(30)16-7-14(25)8-19(26)21(16)29/h2-9,17,29H,1H3,(H,28,30)"	"JMPFSEBWVLAJKM-UHFFFAOYSA-N"	FALSE	FALSE	262	2	3
"57808-66-9"	"DTXSID1045116"	"Domperidone"	"EPA_DSSTox"	"O=C1NC2C=CC=CC=2N1CCCN1CCC(CC1)N1C2=CC=C(Cl)C=C2NC1=O"	"?"	"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"	FALSE	TRUE	5243	4	5
"5782-83-2"	"DTXSID9042461"	"Tetrahydro-1,3,6-thiadiazepine-2,7-dithione"	"EPA_DSSTox"	"S=C1NCCNC(=S)S1"	"?"	"InChI=1S/C4H6N2S3/c7-3-5-1-2-6-4(8)9-3/h1-2H2,(H,5,7)(H,6,8)"	"HHBOUFYYHJJTNU-UHFFFAOYSA-N"	FALSE	FALSE	240	2	3
"57837-19-1"	"DTXSID6024175"	"Metalaxyl"	"EPA_DSSTox"	"CC1C=CC=C(C)C=1N(C(C)C(=O)OC)C(=O)COC"	"?"	"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"	FALSE	FALSE	566	3	4
"57846-34-1"	"DTXSID90206559"	"Malonic acid, ((1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indolyl)acetyl)-, diethyl ester"	"EPA_DSSTox"	"CC1=C(CC(=O)C(C(=O)OCC)C(=O)OCC)C2C=C(C=CC=2N1C(=O)C1C=CC(Cl)=CC=1)OC"	"?"	"InChI=1S/C26H26ClNO7/c1-5-34-25(31)23(26(32)35-6-2)22(29)14-19-15(3)28(21-12-11-18(33-4)13-20(19)21)24(30)16-7-9-17(27)10-8-16/h7-13,23H,5-6,14H2,1-4H3"	"HLEVUODDKUBNNF-UHFFFAOYSA-N"	FALSE	FALSE	520	3	4
"57846-35-2"	"DTXSID00206560"	"Malonic acid, ((1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indolyl)acetyl)-, dimethyl ester"	"EPA_DSSTox"	"CC1=C(CC(=O)C(C(=O)OC)C(=O)OC)C2C=C(C=CC=2N1C(=O)C1C=CC(Cl)=CC=1)OC"	"?"	"InChI=1S/C24H22ClNO7/c1-13-17(12-20(27)21(23(29)32-3)24(30)33-4)18-11-16(31-2)9-10-19(18)26(13)22(28)14-5-7-15(25)8-6-14/h5-11,21H,12H2,1-4H3"	"BZTJIEPOQQSJDS-UHFFFAOYSA-N"	FALSE	FALSE	208	2	3
"57846-36-3"	NA	NA	"Public_CrossChecked"	"COC1C=C2C(CC(=O)C(C(=O)OCC)C(C)=O)=C(C)N(C2=CC=1)C(=O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C25H24ClNO6/c1-5-33-25(31)23(15(3)28)22(29)13-19-14(2)27(21-11-10-18(32-4)12-20(19)21)24(30)16-6-8-17(26)9-7-16/h6-12,23H,5,13H2,1-4H3"	"UWTKYHSUMJEHEW-UHFFFAOYSA-N"	FALSE	FALSE	175	2	3
"57846-37-4"	NA	NA	"Public_CrossChecked"	"CC1=C(CC(=O)C(C#N)C(=O)OCC)C2=CC(=CC=C2N1C(=O)C1C=CC(Cl)=CC=1)OC"	"?"	"InChI=1S/C24H21ClN2O5/c1-4-32-24(30)20(13-26)22(28)12-18-14(2)27(21-10-9-17(31-3)11-19(18)21)23(29)15-5-7-16(25)8-6-15/h5-11,20H,4,12H2,1-3H3"	"ZPYNKCHFZOOQFZ-UHFFFAOYSA-N"	FALSE	FALSE	82	2	3
"57852-57-0"	"DTXSID0047797"	"Idarubicin hydrochloride"	"EPA_DSSTox"	"CC(=O)C1(O)CC2C(C(C1)OC1CC(N)C(O)C(C)O1)=C(O)C1=C(C(=O)C3=CC=CC=C3C1=O)C=2O"	"Cl"	"InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3"	"XDXDZDZNSLXDNA-UHFFFAOYSA-N"	TRUE	FALSE	5.43	1	2
"57859-47-9"	"DTXSID5047586"	"Hex-3-en-1-yl 2-methylpropanoate"	"EPA_DSSTox"	"CCC=CCCOC(=O)C(C)C"	"?"	"InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h5-6,9H,4,7-8H2,1-3H3"	"OSMAJVWUIUORGC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"5786-21-0"	"DTXSID5022855"	"Clozapine"	"EPA_DSSTox"	"CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2C=CC=CC=21"	"?"	"InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3"	"QZUDBNBUXVUHMW-UHFFFAOYSA-N"	FALSE	FALSE	251	2	3
"5787-73-5"	NA	NA	"Public_CrossChecked"	"CCCCCC(C)NC"	"[Cl-]"	"InChI=1S/C8H19N/c1-4-5-6-7-8(2)9-3/h8-9H,4-7H2,1-3H3"	"BGWFQRDYRSCOCO-UHFFFAOYSA-N"	FALSE	FALSE	320	2	4
"57897-49-1"	"DTXSID00206606"	"Pyrrolidine, 1-(2-(4-(2,2-dimethyl-7-methoxy-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)ethyl)-, hydrochloride"	"EPA_DSSTox"	"COC1=CC2OC(C)(C)C(=C(C=2C=C1)C1C=CC(=CC=1)OCCN1CCCC1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C30H33NO3/c1-30(2)29(23-9-5-4-6-10-23)28(26-16-15-25(32-3)21-27(26)34-30)22-11-13-24(14-12-22)33-20-19-31-17-7-8-18-31/h4-6,9-16,21H,7-8,17-20H2,1-3H3"	"TXMQEVSQDSNZNR-UHFFFAOYSA-N"	FALSE	FALSE	150	2	3
"579-56-6"	"DTXSID1045328"	"Isoxsuprine hydrochloride"	"EPA_DSSTox"	"CC(COC1C=CC=CC=1)NC(C)C(O)C1=CC=C(O)C=C1"	"Cl"	"InChI=1S/C18H23NO3/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15/h3-11,13-14,18-21H,12H2,1-2H3"	"BMUKKTUHUDJSNZ-UHFFFAOYSA-N"	FALSE	FALSE	1750	3	4
"579-66-8"	"DTXSID6027218"	"2,6-Diethylaniline"	"EPA_DSSTox"	"CCC1=CC=CC(CC)=C1N"	"?"	"InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3"	"FOYHNROGBXVLLX-UHFFFAOYSA-N"	FALSE	FALSE	1800	3	4
"5790-90-9"	"DTXSID00206621"	"2-Benzoxazolinone, 5-chloro-3-methyl-"	"EPA_DSSTox"	"CN1C(=O)OC2C=CC(Cl)=CC1=2"	"?"	"InChI=1S/C8H6ClNO2/c1-10-6-4-5(9)2-3-7(6)12-8(10)11/h2-4H,1H3"	"VORWOQGVKPXSCM-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"57910-39-1"	"DTXSID7073569"	"2-Propanol, 2-[(1,1-dimethylethyl)azo]-"	"EPA_DSSTox"	"CC(C)(C)N=NC(C)(C)O"	"?"	"InChI=1S/C7H16N2O/c1-6(2,3)8-9-7(4,5)10/h10H,1-5H3"	"LGKBMXVIXYRWDK-UHFFFAOYSA-N"	FALSE	FALSE	329	2	4
"57933-19-4"	NA	NA	"Public_CrossChecked"	"CC1=CC2C3CN(CCCC(=O)C4C=CC(F)=CC=4)CCC3NC=2C=C1"	"Cl.Cl"	"InChI=1S/C22H25FN2O/c1-15-4-9-20-18(13-15)19-14-25(12-10-21(19)24-20)11-2-3-22(26)16-5-7-17(23)8-6-16/h4-9,13,19,21,24H,2-3,10-12,14H2,1H3"	"RKRCSBVUHKDOLG-UHFFFAOYSA-N"	FALSE	FALSE	812	3	4
"5794-23-0"	"DTXSID60206642"	"Etoxeridine hydrochloride"	"EPA_DSSTox"	"CCOC(=O)C1(CCN(CCOCCO)CC1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C18H27NO4/c1-2-23-17(21)18(16-6-4-3-5-7-16)8-10-19(11-9-18)12-14-22-15-13-20/h3-7,20H,2,8-15H2,1H3"	"KJTKYGFGPQSRRA-UHFFFAOYSA-N"	FALSE	FALSE	230	2	3
"57960-19-7"	"DTXSID8034297"	"Acequinocyl"	"EPA_DSSTox"	"CC(=O)OC1=C(CCCCCCCCCCCC)C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3"	"QDRXWCAVUNHOGA-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"57966-95-7"	"DTXSID6032358"	"Cymoxanil"	"EPA_DSSTox"	"CCNC(=O)NC(=O)C(C#N)=NOC"	"?"	"InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)"	"XERJKGMBORTKEO-UHFFFAOYSA-N"	FALSE	FALSE	960	3	4
"57982-78-2"	"DTXSID20206709"	"Budipine"	"EPA_DSSTox"	"CC(C)(C)N1CCC(CC1)(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C21H27N/c1-20(2,3)22-16-14-21(15-17-22,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3"	"QIHLUZAFSSMXHQ-UHFFFAOYSA-N"	FALSE	FALSE	165	2	3
"58-08-2"	"DTXSID0020232"	"Caffeine"	"EPA_DSSTox"	"CN1C(=O)C2=C(N=CN2C)N(C)C1=O"	"?"	"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"	FALSE	FALSE	192	2	3
"58-14-0"	"DTXSID9021217"	"Pyrimethamine"	"EPA_DSSTox"	"CCC1=NC(N)=NC(N)=C1C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)"	"WKSAUQYGYAYLPV-UHFFFAOYSA-N"	FALSE	FALSE	440	2	4
"58-15-1"	"DTXSID7020504"	"4-Dimethylaminoantipyrine"	"EPA_DSSTox"	"CN(C)C1C(=O)N(C2C=CC=CC=2)N(C)C=1C"	"?"	"InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3"	"RMMXTBMQSGEXHJ-UHFFFAOYSA-N"	FALSE	FALSE	285	2	3
"58-18-4"	"DTXSID1033664"	"17-Methyltestosterone"	"EPA_DSSTox"	"CC12CCC3C(CCC4=CC(=O)CCC43C)C1CCC2(C)O"	"?"	"InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3"	"GCKMFJBGXUYNAG-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"58-25-3"	"DTXSID4046022"	"Chlordiazepoxide"	"EPA_DSSTox"	"CNC1C[N+]([O-])=C(C2C=C(Cl)C=CC=2N=1)C1C=CC=CC=1"	"?"	"InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)"	"ANTSCNMPPGJYLG-UHFFFAOYSA-N"	FALSE	FALSE	392	2	4
"58-28-6"	"DTXSID9046942"	"Desipramine hydrochloride"	"EPA_DSSTox"	"CNCCCN1C2C=CC=CC=2CCC2C=CC=CC1=2"	"Cl"	"InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3"	"HCYAFALTSJYZDH-UHFFFAOYSA-N"	FALSE	FALSE	871	3	4
"58-32-2"	"DTXSID6040668"	"Dipyridamole"	"EPA_DSSTox"	"OCCN(CCO)C1=NC(=C2N=C(N=C(C2=N1)N1CCCCC1)N(CCO)CCO)N1CCCCC1"	"?"	"InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2"	"IZEKFCXSFNUWAM-UHFFFAOYSA-N"	FALSE	TRUE	8400	4	5
"58-39-9"	"DTXSID1023441"	"Perphenazine"	"EPA_DSSTox"	"OCCN1CCN(CCCN2C3=CC=CC=C3SC3C=CC(Cl)=CC2=3)CC1"	"?"	"InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2"	"RGCVKNLCSQQDEP-UHFFFAOYSA-N"	FALSE	FALSE	318	2	4
"58-54-8"	"DTXSID3025257"	"Ethacrynic acid"	"EPA_DSSTox"	"CCC(=C)C(=O)C1=CC=C(OCC(O)=O)C(Cl)=C1Cl"	"?"	"InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)"	"AVOLMBLBETYQHX-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"58-56-0"	"DTXSID1040792"	"Pyridoxine hydrochloride"	"EPA_DSSTox"	"CC1=NC=C(CO)C(CO)=C1O"	"Cl"	"InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3"	"LXNHXLLTXMVWPM-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"58-63-9"	"DTXSID2045993"	"Inosine"	"EPA_DSSTox"	"OC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O"	"?"	"InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)"	"UGQMRVRMYYASKQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"58-73-1"	"DTXSID4022949"	"Diphenhydramine"	"EPA_DSSTox"	"CN(C)CCOC(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"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"	FALSE	FALSE	390	2	4
"58-74-2"	"DTXSID4023418"	"Papaverine"	"EPA_DSSTox"	"COC1=CC=C(CC2=NC=CC3C=C(OC)C(=CC=32)OC)C=C1OC"	"?"	"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3"	"XQYZDYMELSJDRZ-UHFFFAOYSA-N"	FALSE	FALSE	325	2	4
"58-90-2"	"DTXSID9021716"	"2,3,4,6-Tetrachlorophenol"	"EPA_DSSTox"	"OC1C(Cl)=CC(Cl)=C(Cl)C=1Cl"	"?"	"InChI=1S/C6H2Cl4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H"	"VGVRPFIJEJYOFN-UHFFFAOYSA-N"	FALSE	FALSE	140	2	3
"58-93-5"	"DTXSID2020713"	"Hydrochlorothiazide"	"EPA_DSSTox"	"NS(=O)(=O)C1=CC2=C(C=C1Cl)NCNS2(=O)=O"	"?"	"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"	FALSE	TRUE	2750	3	5
"58-94-6"	"DTXSID0022800"	"Chlorothiazide"	"EPA_DSSTox"	"NS(=O)(=O)C1=CC2=C(C=C1Cl)N=CNS2(=O)=O"	"?"	"InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)"	"JBMKAUGHUNFTOL-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"58001-44-8"	"DTXSID2022830"	"Clavulanic acid"	"EPA_DSSTox"	"OC(=O)C1C(=CCO)OC2CC(=O)N21"	"?"	"InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)"	"HZZVJAQRINQKSD-UHFFFAOYSA-N"	FALSE	TRUE	7936	4	5
"58011-68-0"	"DTXSID1058133"	"Pyrazolynate"	"EPA_DSSTox"	"CC1C=CC(=CC=1)S(=O)(=O)OC1=C(C(=O)C2=CC=C(Cl)C=C2Cl)C(C)=NN1C"	"?"	"InChI=1S/C19H16Cl2N2O4S/c1-11-4-7-14(8-5-11)28(25,26)27-19-17(12(2)22-23(19)3)18(24)15-9-6-13(20)10-16(15)21/h4-10H,1-3H3"	"ASRAWSBMDXVNLX-UHFFFAOYSA-N"	FALSE	TRUE	9550	4	5
"58041-19-3"	"DTXSID80206765"	"1,4-Oxathiin, 2,3-dihydro-5,6-diphenyl-"	"EPA_DSSTox"	"C1CSC(=C(O1)C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C16H14OS/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14/h1-10H,11-12H2"	"GZVBPNSXCWYLJU-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"58066-85-6"	"DTXSID7045942"	"Miltefosine"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCOP(O)(=O)OCC[N+](C)(C)C"	"?"	"InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3/p+1"	"PQLXHQMOHUQAKB-UHFFFAOYSA-O"	FALSE	FALSE	246	2	3
"58066-96-9"	"DTXSID3069221"	"Ethanol, 2-[ethyl(3-methyl-4-nitrosophenyl)amino]-"	"EPA_DSSTox"	"CC1C=C(C=CC=1N=O)N(CCO)CC"	"?"	"InChI=1S/C11H16N2O2/c1-3-13(6-7-14)10-4-5-11(12-15)9(2)8-10/h4-5,8,14H,3,6-7H2,1-2H3"	"GORXOMQYBYURLM-UHFFFAOYSA-N"	FALSE	FALSE	336	2	4
"5809-59-6"	NA	NA	"Public_CrossChecked"	"C=CC(O)C#N"	"?"	"InChI=1S/C4H5NO/c1-2-4(6)3-5/h2,4,6H,1H2"	"WKFMHXZXCCJSJK-UHFFFAOYSA-N"	FALSE	FALSE	65	2	3
"58095-31-1"	NA	NA	"Public_CrossChecked"	"NC(=O)NC1CCC(=O)C2SC=CC=21"	"?"	"InChI=1S/C9H10N2O2S/c10-9(13)11-6-1-2-7(12)8-5(6)3-4-14-8/h3-4,6H,1-2H2,(H3,10,11,13)"	"KNKOUDKOHSNMEL-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"581-12-4"	NA	NA	"Public_CrossChecked"	"CC(C)CC(=O)CC1(C)CCC(O1)C1C=COC=1"	"?"	"InChI=1S/C15H22O3/c1-11(2)8-13(16)9-15(3)6-4-14(18-15)12-5-7-17-10-12/h5,7,10-11,14H,4,6,8-9H2,1-3H3"	"WOFDWNOSFDVCDF-UHFFFAOYSA-N"	FALSE	FALSE	350	2	4
"581-89-5"	"DTXSID2073198"	"2-Nitronaphthalene"	"EPA_DSSTox"	"[O-][N+](=O)C1C=C2C=CC=CC2=CC=1"	"?"	"InChI=1S/C10H7NO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H"	"ZJYJZEAJZXVAMF-UHFFFAOYSA-N"	FALSE	TRUE	4400	3	5
"5810-11-7"	"DTXSID1044489"	"2-Chloro-N,N-dimethyl-3-oxobutanamide"	"EPA_DSSTox"	"CC(=O)C(Cl)C(=O)N(C)C"	"?"	"InChI=1S/C6H10ClNO2/c1-4(9)5(7)6(10)8(2)3/h5H,1-3H3"	"QJACRCAPQIYMIH-UHFFFAOYSA-N"	FALSE	FALSE	275	2	3
"58100-26-8"	"DTXSID70206830"	"Cysteine hydrazide"	"EPA_DSSTox"	"NNC(=O)C(N)CS"	"?"	"InChI=1S/C3H9N3OS/c4-2(1-8)3(7)6-5/h2,8H,1,4-5H2,(H,6,7)"	"IQIYDJRAZKPGKO-UHFFFAOYSA-N"	FALSE	FALSE	1050	3	4
"58138-08-2"	"DTXSID8024365"	"Tridiphane"	"EPA_DSSTox"	"ClC(Cl)(Cl)CC1(CO1)C1C=C(Cl)C=C(Cl)C=1"	"?"	"InChI=1S/C10H7Cl5O/c11-7-1-6(2-8(12)3-7)9(5-16-9)4-10(13,14)15/h1-3H,4-5H2"	"IBZHOAONZVJLOB-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"58139-96-1"	"DTXSID6073570"	"Acetonitrile, [[4-(trifluoromethyl)phenyl]azo][[4-(trifluoromethyl)phenyl]hydrazono]-"	"EPA_DSSTox"	"N#CC(=NNC1C=CC(=CC=1)C(F)(F)F)N=NC1C=CC(=CC=1)C(F)(F)F"	"?"	"InChI=1S/C16H9F6N5/c17-15(18,19)10-1-5-12(6-2-10)24-26-14(9-23)27-25-13-7-3-11(4-8-13)16(20,21)22/h1-8,24H"	"IAXHFRVHDQLUHE-UHFFFAOYSA-N"	FALSE	FALSE	613	3	4
"58186-27-9"	"DTXSID0040678"	"Idebenone"	"EPA_DSSTox"	"CC1C(=O)C(OC)=C(OC)C(=O)C=1CCCCCCCCCCO"	"?"	"InChI=1S/C19H30O5/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h20H,4-13H2,1-3H3"	"JGPMMRGNQUBGND-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"5823-20-1"	NA	NA	"Public_CrossChecked"	"CCOP(=S)(OCC)SC(C#N)C1C=CC=CC=1"	"?"	"InChI=1S/C12H16NO2PS2/c1-3-14-16(17,15-4-2)18-12(10-13)11-8-6-5-7-9-11/h5-9,12H,3-4H2,1-2H3"	"YUANLZKNZVUHDR-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"5823-25-6"	"DTXSID60206965"	"AI 3-23445"	"EPA_DSSTox"	"CCOC(=O)COP(=S)(OCC)OCC"	"?"	"InChI=1S/C8H17O5PS/c1-4-10-8(9)7-13-14(15,11-5-2)12-6-3/h4-7H2,1-3H3"	"FCZCIXQGZOUIDN-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"58243-85-9"	"DTXSID7069239"	"2-Naphthalenecarboxaldehyde, 3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-"	"EPA_DSSTox"	"CCC1C=C2C(=CC=1C=O)C(C)(C)CCC2(C)C"	"?"	"InChI=1S/C17H24O/c1-6-12-9-14-15(10-13(12)11-18)17(4,5)8-7-16(14,2)3/h9-11H,6-8H2,1-5H3"	"QCWQUWUCARNNRI-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"5825-79-6"	"DTXSID20206981"	"Ethanol, 2-((4-chloro-3,5-xylyl)oxy)-"	"EPA_DSSTox"	"CC1C=C(C=C(C)C=1Cl)OCCO"	"?"	"InChI=1S/C10H13ClO2/c1-7-5-9(13-4-3-12)6-8(2)10(7)11/h5-6,12H,3-4H2,1-2H3"	"UZXFXOSXXYLVMI-UHFFFAOYSA-N"	FALSE	TRUE	3800	3	5
"5826-76-6"	"DTXSID1042287"	"Phosnichlor"	"EPA_DSSTox"	"COP(=S)(OC1=CC(=C(Cl)C=C1)[N+]([O-])=O)OC"	"?"	"InChI=1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-6-3-4-7(9)8(5-6)10(11)12/h3-5H,1-2H3"	"UFNIXJPHHIPRFX-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"5826-85-7"	NA	NA	"Public_CrossChecked"	"Cc1cc(=O)oc2cc(ccc12)OP(=S)(OC)OC"	"?"	"InChI=1S/C12H13O5PS/c1-8-6-12(13)16-11-7-9(4-5-10(8)11)17-18(19,14-2)15-3/h4-7H,1-3H3"	"XOYJOEBNPYQZSW-UHFFFAOYSA-N"	TRUE	FALSE	15.6	1	2
"5826-91-5"	"DTXSID40206988"	"Phosphorothioic acid, O,O-diethyl O-(2-propyl-4-methyl-6-pyrimidyl) ester"	"EPA_DSSTox"	"CC1N=C(C=C(CCC)N=1)OP(=S)(OCC)OCC"	"?"	"InChI=1S/C12H21N2O3PS/c1-5-8-11-9-12(14-10(4)13-11)17-18(19,15-6-2)16-7-3/h9H,5-8H2,1-4H3"	"AOIYMCGAKDGVHS-UHFFFAOYSA-N"	FALSE	FALSE	261	2	3
"5827-05-4"	"DTXSID1058135"	"IPSP"	"EPA_DSSTox"	"CCS(=O)CSP(=S)(OC(C)C)OC(C)C"	"?"	"InChI=1S/C9H21O3PS3/c1-6-16(10)7-15-13(14,11-8(2)3)12-9(4)5/h8-9H,6-7H2,1-5H3"	"KOTOUBGHZHWCCJ-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"583-39-1"	"DTXSID9025536"	"2-Mercaptobenzimidazole"	"EPA_DSSTox"	"S=C1NC2C=CC=CC=2N1"	"?"	"InChI=1S/C7H6N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)"	"YHMYGUUIMTVXNW-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"583-78-8"	"DTXSID7025003"	"2,5-Dichlorophenol"	"EPA_DSSTox"	"OC1=CC(Cl)=CC=C1Cl"	"?"	"InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H"	"RANCECPPZPIPNO-UHFFFAOYSA-N"	FALSE	FALSE	580	3	4
"583-91-5"	"DTXSID50862236"	"Butanoic acid, 2-hydroxy-4-(methylthio)-"	"EPA_DSSTox"	"CSCCC(O)C(O)=O"	"?"	"InChI=1S/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)"	"ONFOSYPQQXJWGS-UHFFFAOYSA-N"	FALSE	TRUE	3478	3	5
"58306-30-2"	"DTXSID6046898"	"Febantel"	"EPA_DSSTox"	"COCC(=O)NC1C=C(C=CC=1N=C(NC(=O)OC)NC(=O)OC)SC1C=CC=CC=1"	"?"	"InChI=1S/C20H22N4O6S/c1-28-12-17(25)21-16-11-14(31-13-7-5-4-6-8-13)9-10-15(16)22-18(23-19(26)29-2)24-20(27)30-3/h4-11H,12H2,1-3H3,(H,21,25)(H2,22,23,24,26,27)"	"HMCCXLBXIJMERM-UHFFFAOYSA-N"	FALSE	TRUE	10605	4	5
"5831-80-1"	"DTXSID10884191"	"9-Octadecenamide, N,N-dibutyl-, (9Z)-"	"EPA_DSSTox"	"CCCCCCCCC=CCCCCCCCC(=O)N(CCCC)CCCC"	"?"	"InChI=1S/C26H51NO/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)27(24-8-5-2)25-9-6-3/h15-16H,4-14,17-25H2,1-3H3"	"YMGHPIVBMBXPCR-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"58327-07-4"	NA	NA	"Public_CrossChecked"	"CC1CC(CC(C)(C)C1)OC(=O)COC1C=CC=CC=1Cl"	"?"	"InChI=1S/C17H23ClO3/c1-12-8-13(10-17(2,3)9-12)21-16(19)11-20-15-7-5-4-6-14(15)18/h4-7,12-13H,8-11H2,1-3H3"	"BRRZMEIQFMYAAN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"58327-09-6"	"DTXSID50874955"	"Acetic acid, (4-fluorophenoxy)-, 3,3,5-trimethyl"	"EPA_DSSTox"	"CC1CC(CC(C)(C)C1)OC(=O)COC1C=CC(F)=CC=1"	"?"	"InChI=1S/C17H23FO3/c1-12-8-15(10-17(2,3)9-12)21-16(19)11-20-14-6-4-13(18)5-7-14/h4-7,12,15H,8-11H2,1-3H3"	"ZHUVVZYKDYFWJP-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"58327-10-9"	NA	NA	"Public_CrossChecked"	"CC1CC(CC(C)(C)C1)OC(=O)COC1C=CC(I)=CC=1"	"?"	"InChI=1S/C17H23IO3/c1-12-8-15(10-17(2,3)9-12)21-16(19)11-20-14-6-4-13(18)5-7-14/h4-7,12,15H,8-11H2,1-3H3"	"CVIQLNOOKKITGF-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"58327-12-1"	NA	NA	"Public_CrossChecked"	"CC(OC1C=CC=CC=1Cl)C(=O)OC1CC(C)CC(C)(C)C1"	"?"	"InChI=1S/C18H25ClO3/c1-12-9-14(11-18(3,4)10-12)22-17(20)13(2)21-16-8-6-5-7-15(16)19/h5-8,12-14H,9-11H2,1-4H3"	"SGEIFEGMWMUNTD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"58327-13-2"	NA	NA	"Public_CrossChecked"	"CC1CC(CC(C)(C)C1)OC(=O)C(C)OC1C=CC(F)=CC=1"	"?"	"InChI=1S/C18H25FO3/c1-12-9-16(11-18(3,4)10-12)22-17(20)13(2)21-15-7-5-14(19)6-8-15/h5-8,12-13,16H,9-11H2,1-4H3"	"KKIAVNPNRLJCJW-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"58327-14-3"	NA	NA	"Public_CrossChecked"	"CC1(C)CC(CC(C)C1)OC(=O)C(C)OC1=CC(=CC=C1)C(F)(F)F"	"?"	"InChI=1S/C19H25F3O3/c1-12-8-16(11-18(3,4)10-12)25-17(23)13(2)24-15-7-5-6-14(9-15)19(20,21)22/h5-7,9,12-13,16H,8,10-11H2,1-4H3"	"IIDBOOYTZBNAEW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"58327-15-4"	NA	NA	"Public_CrossChecked"	"CC1CC(CC(C)(C)C1)OC(=O)C(C)(C)OC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C19H27ClO3/c1-13-10-16(12-18(2,3)11-13)22-17(21)19(4,5)23-15-8-6-14(20)7-9-15/h6-9,13,16H,10-12H2,1-5H3"	"CMOOEBBRWSCLNF-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"58327-19-8"	NA	NA	"Public_CrossChecked"	"CC(C)C(OC1C=CC=CC=1Cl)C(=O)OC1CC(C)(C)CC(C)C1"	"?"	"InChI=1S/C20H29ClO3/c1-13(2)18(24-17-9-7-6-8-16(17)21)19(22)23-15-10-14(3)11-20(4,5)12-15/h6-9,13-15,18H,10-12H2,1-5H3"	"ZFWYBCWBTADNEF-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"58327-21-2"	NA	NA	"Public_CrossChecked"	"CC(C)C(OC1=CC=C(Cl)C=C1)C(=O)OC1CC(C)CC(C)(C)C1"	"?"	"InChI=1S/C20H29ClO3/c1-13(2)18(23-16-8-6-15(21)7-9-16)19(22)24-17-10-14(3)11-20(4,5)12-17/h6-9,13-14,17-18H,10-12H2,1-5H3"	"XAPVTZHHVLCGPK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"58327-22-3"	NA	NA	"Public_CrossChecked"	"CC1(C)CC(CC(C)C1)OC(=O)C(C)(CC)OC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C20H29ClO3/c1-6-20(5,24-16-9-7-15(21)8-10-16)18(22)23-17-11-14(2)12-19(3,4)13-17/h7-10,14,17H,6,11-13H2,1-5H3"	"GVRSNUHSBDXMRV-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"5834-97-9"	NA	NA	"Public_CrossChecked"	"C=CCN=NC1C=CC=CC=1"	"?"	"InChI=1S/C9H10N2/c1-2-8-10-11-9-6-4-3-5-7-9/h2-7H,1,8H2"	"BVIOOESVWHESHW-UHFFFAOYSA-N"	FALSE	FALSE	700	3	4
"58348-97-3"	"DTXSID20207074"	"4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, sodium salt"	"EPA_DSSTox"	"CC1=C(OC2C(=CC=CC=2C(O)=O)C1=O)C1C=CC=CC=1"	"[Na+]"	"InChI=1S/C17H12O4/c1-10-14(18)12-8-5-9-13(17(19)20)16(12)21-15(10)11-6-3-2-4-7-11/h2-9H,1H3,(H,19,20)"	"KMMBBZOSQNLLMN-UHFFFAOYSA-N"	FALSE	FALSE	1655	3	4
"5836-04-4"	NA	NA	"Public_CrossChecked"	"ClC1(Cl)C2(Cl)C3C(C4C=CC3O4)C1(Cl)C(Cl)=C2Cl"	"?"	"InChI=1S/C11H6Cl6O/c12-7-8(13)10(15)6-4-2-1-3(18-4)5(6)9(7,14)11(10,16)17/h1-6H"	"RLRTXCXGNIUXCU-UHFFFAOYSA-N"	FALSE	FALSE	68	2	3
"5836-10-2"	"DTXSID5041778"	"Chloropropylate"	"EPA_DSSTox"	"CC(C)OC(=O)C(O)(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C17H16Cl2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3"	"AXGUBXVWZBFQGA-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"5836-23-7"	"DTXSID7042439"	"Tecoram"	"EPA_DSSTox"	"CN(C)C(=S)SSC(=S)NCCNC(=S)SSC(=S)N(C)C"	"?"	"InChI=1S/C10H18N4S8/c1-13(2)9(17)21-19-7(15)11-5-6-12-8(16)20-22-10(18)14(3)4/h5-6H2,1-4H3,(H,11,15)(H,12,16)"	"OTWBGXPTCSGQEJ-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"5836-29-3"	"DTXSID8041799"	"Coumatetralyl"	"EPA_DSSTox"	"OC1=C(C2CCCC3C=CC=CC=32)C(=O)OC2C=CC=CC=21"	"?"	"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/h1-4,6,8-9,11,14,20H,5,7,10H2"	"ULSLJYXHZDTLQK-UHFFFAOYSA-N"	TRUE	FALSE	16.5	1	2
"5837-63-8"	"DTXSID70207089"	"Maleic anhydride, dihydroxy-, dipropionate"	"EPA_DSSTox"	"CCC(=O)OC1=C(OC(=O)CC)C(=O)OC1=O"	"?"	"InChI=1S/C10H10O7/c1-3-5(11)15-7-8(16-6(12)4-2)10(14)17-9(7)13/h3-4H2,1-2H3"	"RHLNUQMNCYLGEN-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"5837-68-3"	"DTXSID40207091"	"Maleic anhydride, dihydroxy-, bis(3-chloropropionate)"	"EPA_DSSTox"	"O=C(CCCl)OC1=C(OC(=O)CCCl)C(=O)OC1=O"	"?"	"InChI=1S/C10H8Cl2O7/c11-3-1-5(13)17-7-8(10(16)19-9(7)15)18-6(14)2-4-12/h1-4H2"	"KFLZEDYUULKPIH-UHFFFAOYSA-N"	FALSE	TRUE	7000	4	5
"5837-78-5"	"DTXSID8047688"	"Ethyl tiglate"	"EPA_DSSTox"	"CC(=CC)C(=O)OCC"	"?"	"InChI=1S/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3"	"OAPHLAAOJMTMLY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"584-02-1"	"DTXSID8060400"	"3-Pentanol"	"EPA_DSSTox"	"CCC(O)CC"	"?"	"InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3"	"AQIXEPGDORPWBJ-UHFFFAOYSA-N"	FALSE	FALSE	1870	3	4
"584-03-2"	"DTXSID6040375"	"1,2-Butanediol"	"EPA_DSSTox"	"CCC(O)CO"	"?"	"InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3"	"BMRWNKZVCUKKSR-UHFFFAOYSA-N"	FALSE	TRUE	16000	4	5
"584-13-4"	"DTXSID9033058"	"4-Amino-1,2,4-triazole"	"EPA_DSSTox"	"NN1C=NN=C1"	"?"	"InChI=1S/C2H4N4/c3-6-1-4-5-2-6/h1-2H,3H2"	"FMCUPJKTGNBGEC-UHFFFAOYSA-N"	FALSE	TRUE	13600	4	5
"584-79-2"	"DTXSID8035180"	"Allethrin"	"EPA_DSSTox"	"CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C"	"?"	"InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3"	"ZCVAOQKBXKSDMS-UHFFFAOYSA-N"	FALSE	FALSE	685	3	4
"584-84-9"	"DTXSID7026156"	"Toluene-2,4-diisocyanate"	"EPA_DSSTox"	"CC1=CC=C(C=C1N=C=O)N=C=O"	"?"	"InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3"	"DVKJHBMWWAPEIU-UHFFFAOYSA-N"	FALSE	TRUE	5800	4	5
"5840-95-9"	"DTXSID8041953"	"Ethyl 3-methyoxy-2-oxa-4-thia-7-aza-3-phosphaoctan-8-oate 3-sulfide"	"EPA_DSSTox"	"CCOC(=O)NCCSP(=S)(OC)OC"	"?"	"InChI=1S/C7H16NO4PS2/c1-4-12-7(9)8-5-6-15-13(14,10-2)11-3/h4-6H2,1-3H3,(H,8,9)"	"DVJRPESMHBHCED-UHFFFAOYSA-N"	FALSE	FALSE	108	2	3
"58416-00-5"	"DTXSID70207120"	"Protiofate"	"EPA_DSSTox"	"CCCOC(=O)C1SC(C(=O)OCCC)=C(O)C=1O"	"?"	"InChI=1S/C12H16O6S/c1-3-5-17-11(15)9-7(13)8(14)10(19-9)12(16)18-6-4-2/h13-14H,3-6H2,1-2H3"	"GUFHWUFYAOUKTI-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"58430-94-7"	"DTXSID0041270"	"3,5,5-Trimethylhexyl acetate"	"EPA_DSSTox"	"CC(CC(C)(C)C)CCOC(C)=O"	"?"	"InChI=1S/C11H22O2/c1-9(8-11(3,4)5)6-7-13-10(2)12/h9H,6-8H2,1-5H3"	"DGKXDLCVQSQVBC-UHFFFAOYSA-N"	FALSE	TRUE	4250	3	5
"58458-52-9"	NA	NA	"Public_CrossChecked"	"CC(CC(=O)NCCO)=CC1C=CC=CC=1"	"?"	"InChI=1S/C13H17NO2/c1-11(10-13(16)14-7-8-15)9-12-5-3-2-4-6-12/h2-6,9,15H,7-8,10H2,1H3,(H,14,16)"	"NSNIFOUJZXSLKG-UHFFFAOYSA-N"	FALSE	FALSE	1375	3	4
"58458-54-1"	NA	NA	"Public_CrossChecked"	"CC(CC(=O)N(CCO)CCO)=CC1C=CC=CC=1"	"?"	"InChI=1S/C15H21NO3/c1-13(11-14-5-3-2-4-6-14)12-15(19)16(7-9-17)8-10-18/h2-6,11,17-18H,7-10,12H2,1H3"	"MNZGTGCNSJEMPU-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"58458-55-2"	NA	NA	"Public_CrossChecked"	"CC(CC(=O)N(CC)CC)=CC1C=CC=CC=1"	"?"	"InChI=1S/C15H21NO/c1-4-16(5-2)15(17)12-13(3)11-14-9-7-6-8-10-14/h6-11H,4-5,12H2,1-3H3"	"VSHBKFZWSYFCND-UHFFFAOYSA-N"	FALSE	TRUE	2300	3	5
"58458-56-3"	NA	NA	"Public_CrossChecked"	"CC(CC(=O)N1CCOCC1)=CC1C=CC=CC=1"	"?"	"InChI=1S/C15H19NO2/c1-13(11-14-5-3-2-4-6-14)12-15(17)16-7-9-18-10-8-16/h2-6,11H,7-10,12H2,1H3"	"BPNYZCJYLTULPB-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"58473-74-8"	"DTXSID7046417"	"Cinromide"	"EPA_DSSTox"	"CCNC(=O)C=CC1C=CC=C(Br)C=1"	"?"	"InChI=1S/C11H12BrNO/c1-2-13-11(14)7-6-9-4-3-5-10(12)8-9/h3-8H,2H2,1H3,(H,13,14)"	"LDCXGZCEMNMWIL-UHFFFAOYSA-N"	FALSE	TRUE	4437	3	5
"5850-39-5"	"DTXSID00889493"	"C.I. Acid Green 20"	"EPA_DSSTox"	"NC1C=CC(=CC=1)N=NC1C(=CC2C=C(C(N=NC3C=CC=CC=3)=C(O)C=2C=1N)S(O)(=O)=O)S(O)(=O)=O"	"[Na+].[Na+]"	"InChI=1S/C22H18N6O7S2/c23-13-6-8-15(9-7-13)26-27-20-16(36(30,31)32)10-12-11-17(37(33,34)35)21(22(29)18(12)19(20)24)28-25-14-4-2-1-3-5-14/h1-11,29H,23-24H2,(H,30,31,32)(H,33,34,35)"	"GBUZSOVDCZSPKS-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"58513-59-0"	"DTXSID30109999"	"Thiothixene hydrochloride"	"EPA_DSSTox"	"CN(C)S(=O)(=O)C1=CC2C(=CCCN3CCN(C)CC3)C3C=CC=CC=3SC=2C=C1"	"Cl.Cl"	"InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3"	"GFBKORZTTCHDGY-UHFFFAOYSA-N"	FALSE	FALSE	410	2	4
"58567-11-6"	"DTXSID1052248"	"(Ethoxymethoxy)cyclododecane"	"EPA_DSSTox"	"CCOCOC1CCCCCCCCCCC1"	"?"	"InChI=1S/C15H30O2/c1-2-16-14-17-15-12-10-8-6-4-3-5-7-9-11-13-15/h15H,2-14H2,1H3"	"VQNUNMBDOKEZHS-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"58579-51-4"	"DTXSID0046725"	"Anagrelide hydrochloride"	"EPA_DSSTox"	"OC1=CN2CC3=C(C=CC(Cl)=C3Cl)NC2=N1"	"Cl"	"InChI=1S/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2,4,16H,3H2,(H,13,14)"	"CUCMIJQKFCWAPD-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"5858-81-1"	"DTXSID6064038"	"FD&C Red No. 6"	"EPA_DSSTox"	"CC1C=C(C(=CC=1)N=NC1=C2C=CC=CC2=CC(=C1O)C(O)=O)S(O)(=O)=O"	"[Na+].[Na+]"	"InChI=1S/C18H14N2O6S/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23/h2-9,21H,1H3,(H,22,23)(H,24,25,26)"	"JYNBEDVXQNFTOX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"58581-89-8"	"DTXSID6022638"	"Azelastine"	"EPA_DSSTox"	"CN1CCCC(CC1)N1N=C(CC2C=CC(Cl)=CC=2)C2=CC=CC=C2C1=O"	"?"	"InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3"	"MBUVEWMHONZEQD-UHFFFAOYSA-N"	FALSE	FALSE	310	2	4
"586-06-1"	"DTXSID8048529"	"Metaproterenol"	"EPA_DSSTox"	"CC(C)NCC(O)C1C=C(O)C=C(O)C=1"	"?"	"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3"	"LMOINURANNBYCM-UHFFFAOYSA-N"	FALSE	TRUE	3370	3	5
"586-62-9"	"DTXSID0027222"	"Terpinolene"	"EPA_DSSTox"	"CC(C)=C1CC=C(C)CC1"	"?"	"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3"	"MOYAFQVGZZPNRA-UHFFFAOYSA-N"	FALSE	TRUE	4390	3	5
"5863-35-4"	NA	NA	"Public_CrossChecked"	"COC1C=CC(=CC=1)C(C1=CC=C(C=C1)OCCN1CCCC1)=C(C1C=CC=CC=1)[N+]([O-])=O"	"C(C(=O)O)C(CC(=O)O)(C(=O)O)O"	"InChI=1S/C27H28N2O4/c1-32-24-13-9-21(10-14-24)26(27(29(30)31)23-7-3-2-4-8-23)22-11-15-25(16-12-22)33-20-19-28-17-5-6-18-28/h2-4,7-16H,5-6,17-20H2,1H3"	"MFKMXUFMHOCZHP-UHFFFAOYSA-N"	FALSE	FALSE	1778	3	4
"58652-20-3"	"DTXSID90207349"	"Nomegestrol acetate"	"EPA_DSSTox"	"CC12CCC3C(C=C(C)C4=CC(=O)CCC43)C1CCC2(OC(C)=O)C(C)=O"	"?"	"InChI=1S/C23H30O4/c1-13-11-20-18(17-6-5-16(26)12-19(13)17)7-9-22(4)21(20)8-10-23(22,14(2)24)27-15(3)25/h11-12,17-18,20-21H,5-10H2,1-4H3"	"IIVBFTNIGYRNQY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"587-98-4"	"DTXSID5041722"	"C.I. Acid Yellow 36, monosodium salt"	"EPA_DSSTox"	"OS(=O)(=O)C1=CC(=CC=C1)N=NC1C=CC(=CC=1)NC1C=CC=CC=1"	"[Na+]"	"InChI=1S/C18H15N3O3S/c22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14/h1-13,19H,(H,22,23,24)"	"HLISYGBBLOOIQF-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"58712-69-9"	"DTXSID50207421"	"Traxanox"	"EPA_DSSTox"	"O=C1C2=CC(=CC(Cl)=C2OC2N=CC=CC=21)C1=NNN=N1"	"?"	"InChI=1S/C13H6ClN5O2/c14-9-5-6(12-16-18-19-17-12)4-8-10(20)7-2-1-3-15-13(7)21-11(8)9/h1-5H,(H,16,17,18,19)"	"MLCGWPUVZKTVLO-UHFFFAOYSA-N"	FALSE	TRUE	16000	4	5
"58769-20-3"	"DTXSID5042083"	"Kadethrin"	"EPA_DSSTox"	"CC1(C)C(C1C=C1CCSC1=O)C(=O)OCC1C=C(CC2C=CC=CC=2)OC=1"	"?"	"InChI=1S/C23H24O4S/c1-23(2)19(12-17-8-9-28-22(17)25)20(23)21(24)27-14-16-11-18(26-13-16)10-15-6-4-3-5-7-15/h3-7,11-13,19-20H,8-10,14H2,1-2H3"	"UGWALRUNBSBTGI-UHFFFAOYSA-N"	FALSE	FALSE	650	3	4
"588-53-4"	NA	NA	"Public_CrossChecked"	"OC1C=CC(=CC=1)N=CC1C=CC=CC=1"	"?"	"InChI=1S/C13H11NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-10,15H"	"BVTLIIQDQAUXOI-UHFFFAOYSA-N"	FALSE	TRUE	3500	3	5
"5882-48-4"	"DTXSID00207552"	"4-Dimethylaminophenol hydrochloride"	"EPA_DSSTox"	"CN(C)C1C=CC(O)=CC=1"	"Cl"	"InChI=1S/C8H11NO/c1-9(2)7-3-5-8(10)6-4-7/h3-6,10H,1-2H3"	"JVVRCYWZTJLJSG-UHFFFAOYSA-N"	FALSE	FALSE	689	3	4
"58861-48-6"	"DTXSID60619591"	"2-(4-Fluorophenyl)thiophene"	"EPA_DSSTox"	"FC1C=CC(=CC=1)C1=CC=CS1"	"?"	"InChI=1S/C10H7FS/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7H"	"PURJRGMZIKXDMW-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"58890-25-8"	"DTXSID90326423"	"ST50987637"	"EPA_DSSTox"	"O=C(NC1C=CC(CC2C=CC(=CC=2)NC(=O)NC2CCCCC2)=CC=1)NC1CCCCC1"	"?"	"InChI=1S/C27H36N4O2/c32-26(28-22-7-3-1-4-8-22)30-24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)31-27(33)29-23-9-5-2-6-10-23/h11-18,22-23H,1-10,19H2,(H2,28,30,32)(H2,29,31,33)"	"SGXPOLBQSKXTKY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"589-18-4"	"DTXSID5025574"	"4-Methylbenzyl alcohol"	"EPA_DSSTox"	"CC1=CC=C(CO)C=C1"	"?"	"InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3"	"KMTDMTZBNYGUNX-UHFFFAOYSA-N"	FALSE	TRUE	3900	3	5
"589-32-2"	"DTXSID40207632"	"Tetraethylcystamine"	"EPA_DSSTox"	"CCN(CCSSCCN(CC)CC)CC"	"?"	"InChI=1S/C12H28N2S2/c1-5-13(6-2)9-11-15-16-12-10-14(7-3)8-4/h5-12H2,1-4H3"	"MNAQQAGUKWXGLG-UHFFFAOYSA-N"	FALSE	FALSE	340	2	4
"589-59-3"	"DTXSID5060431"	"Butanoic acid, 3-methyl-, 2-methylpropyl ester"	"EPA_DSSTox"	"CC(C)COC(=O)CC(C)C"	"?"	"InChI=1S/C9H18O2/c1-7(2)5-9(10)11-6-8(3)4/h7-8H,5-6H2,1-4H3"	"KEBDNKNVCHQIJU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"589-82-2"	"DTXSID50862251"	"3-Heptanol"	"EPA_DSSTox"	"CCCCC(O)CC"	"?"	"InChI=1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3"	"RZKSECIXORKHQS-UHFFFAOYSA-N"	FALSE	FALSE	1870	3	4
"589-92-4"	"DTXSID5060435"	"Cyclohexanone, 4-methyl-"	"EPA_DSSTox"	"CC1CCC(=O)CC1"	"?"	"InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3"	"VGVHNLRUAMRIEW-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"589-93-5"	"DTXSID0060436"	"2,5-Dimethylpyridine"	"EPA_DSSTox"	"CC1C=NC(C)=CC=1"	"?"	"InChI=1S/C7H9N/c1-6-3-4-7(2)8-5-6/h3-5H,1-2H3"	"XWKFPIODWVPXLX-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"589-98-0"	"DTXSID10862252"	"3-octanol"	"EPA_DSSTox"	"CCCCCC(O)CC"	"?"	"InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3"	"NMRPBPVERJPACX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"58902-64-0"	"DTXSID70207645"	"3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-4-(2-(4-pyridyl)ethyl)-"	"EPA_DSSTox"	"CCCCC1(CCC2C=CC=CN=2)C(=O)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O"	"?"	"InChI=1S/C26H27N3O2/c1-2-3-18-26(19-17-21-12-10-11-20-27-21)24(30)28(22-13-6-4-7-14-22)29(25(26)31)23-15-8-5-9-16-23/h4-16,20H,2-3,17-19H2,1H3"	"PNGVWMZKLNQLOS-UHFFFAOYSA-N"	FALSE	TRUE	4500	3	5
"5892-41-1"	NA	NA	"Public_CrossChecked"	"CC(C)CCOC(=O)C(NCCN(CC)CC)C1=CC=CC=C1"	"?"	"InChI=1S/C19H32N2O2/c1-5-21(6-2)14-13-20-18(17-10-8-7-9-11-17)19(22)23-15-12-16(3)4/h7-11,16,18,20H,5-6,12-15H2,1-4H3"	"RYOOHIUJEJZCFT-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"58934-46-6"	NA	NA	"Public_CrossChecked"	"CC(C)N1CCC(CC1)N(C(=O)CC1C=CC=CC=1)C1C=CC(Cl)=CC=1"	"Cl"	"InChI=1S/C22H27ClN2O/c1-17(2)24-14-12-21(13-15-24)25(20-10-8-19(23)9-11-20)22(26)16-18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3"	"XHOJAWVAWFHGHL-UHFFFAOYSA-N"	FALSE	FALSE	435	2	4
"5894-60-0"	"DTXSID10884196"	"Silane, trichlorohexadecyl-"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl"	"?"	"InChI=1S/C16H33Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3"	"RYPYGDUZKOPBEL-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	NA
"5894-79-1"	"DTXSID70884197"	"Benzeneacetic acid, .alpha.-formyl-, methyl ester"	"EPA_DSSTox"	"COC(=O)C(C=O)C1C=CC=CC=1"	"?"	"InChI=1S/C10H10O3/c1-13-10(12)9(7-11)8-5-3-2-4-6-8/h2-7,9H,1H3"	"ORJFSDFCHJQCOH-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"58955-82-1"	"DTXSID60207694"	"6H-1,3,5-Oxathiazine, 4-(4-methylphenyl)-"	"EPA_DSSTox"	"CC1C=CC(=CC=1)C1=NCOCS1"	"?"	"InChI=1S/C10H11NOS/c1-8-2-4-9(5-3-8)10-11-6-12-7-13-10/h2-5H,6-7H2,1H3"	"SBVLLSPXSNWOJY-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"58955-83-2"	NA	NA	"Public_CrossChecked"	"COC1C=CC(=CC=1)C1=NCOCS1"	"?"	"InChI=1S/C10H11NO2S/c1-12-9-4-2-8(3-5-9)10-11-6-13-7-14-10/h2-5H,6-7H2,1H3"	"PIAHAZMFEBRXRT-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"58955-84-3"	"DTXSID20207695"	"6H-1,3,5-Oxathiazine, 4-phenyl-"	"EPA_DSSTox"	"C1N=C(SCO1)C1C=CC=CC=1"	"?"	"InChI=1S/C9H9NOS/c1-2-4-8(5-3-1)9-10-6-11-7-12-9/h1-5H,6-7H2"	"MRTPGSSIOAIVED-UHFFFAOYSA-N"	FALSE	FALSE	650	3	4
"58994-96-0"	NA	NA	"Public_CrossChecked"	"COC1OC(CNC(=O)N(CCCl)N=O)C(O)C(O)C1O"	"?"	"InChI=1S/C10H18ClN3O7/c1-20-9-8(17)7(16)6(15)5(21-9)4-12-10(18)14(13-19)3-2-11/h5-9,15-17H,2-4H2,1H3,(H,12,18)"	"AHHFEZNOXOZZQA-UHFFFAOYSA-N"	TRUE	FALSE	46.4	1	2
"58995-43-0"	NA	NA	"Public_CrossChecked"	"CCOP(C)(=S)OC1C=CC2=NC=CC=C2C=1"	"?"	"InChI=1S/C12H14NO2PS/c1-3-14-16(2,17)15-11-6-7-12-10(9-11)5-4-8-13-12/h4-9H,3H2,1-2H3"	"CNVMYWKLVZLEKV-UHFFFAOYSA-N"	TRUE	FALSE	5	1	2
"58995-44-1"	"DTXSID50207724"	"Phosphorodithioic acid, O,O-dimethyl ester, S-ester with N-(mercaptomethyl)succinimide"	"EPA_DSSTox"	"COP(=S)(OC)SCN1C(=O)CCC1=O"	"?"	"InChI=1S/C7H12NO4PS2/c1-11-13(14,12-2)15-5-8-6(9)3-4-7(8)10/h3-5H2,1-2H3"	"DXESWGDCFGIHKC-UHFFFAOYSA-N"	TRUE	FALSE	7	1	2
"59-01-8"	"DTXSID3023184"	"Kanamycin A"	"EPA_DSSTox"	"NCC1OC(OC2C(O)C(OC3OC(CO)C(O)C(N)C3O)C(N)CC2N)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"	FALSE	TRUE	NA	4	5
"59-05-2"	"DTXSID4020822"	"Methotrexate"	"EPA_DSSTox"	"CN(CC1C=NC2N=C(N)N=C(N)C=2N=1)C1C=CC(=CC=1)C(=O)NC(CCC(O)=O)C(O)=O"	"?"	"InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)"	"FBOZXECLQNJBKD-UHFFFAOYSA-N"	FALSE	FALSE	135	2	3
"59-32-5"	"DTXSID50207729"	"Chloropyramine [INN:BAN:DCF]"	"EPA_DSSTox"	"CN(C)CCN(CC1C=CC(Cl)=CC=1)C1C=CC=CN=1"	"?"	"InChI=1S/C16H20ClN3/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14/h3-10H,11-13H2,1-2H3"	"ICKFFNBDFNZJSX-UHFFFAOYSA-N"	FALSE	FALSE	920	3	4
"59-40-5"	"DTXSID8042424"	"Sulfaquinoxaline"	"EPA_DSSTox"	"NC1C=CC(=CC=1)S(=O)(=O)NC1C=NC2C=CC=CC=2N=1"	"?"	"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"	FALSE	FALSE	1370	3	4
"59-42-7"	"DTXSID9023465"	"Phenylephrine"	"EPA_DSSTox"	"CNCC(O)C1=CC(O)=CC=C1"	"?"	"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3"	"SONNWYBIRXJNDC-UHFFFAOYSA-N"	FALSE	FALSE	350	2	4
"59-47-2"	"DTXSID4023254"	"Mephenesin"	"EPA_DSSTox"	"CC1=CC=CC=C1OCC(O)CO"	"?"	"InChI=1S/C10H14O3/c1-8-4-2-3-5-10(8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3"	"JWDYCNIAQWPBHD-UHFFFAOYSA-N"	FALSE	FALSE	625	3	4
"59-53-0"	NA	NA	"Public_CrossChecked"	"CC(=O)NC(C(O)=O)C(C)(C)S"	"?"	"InChI=1S/C7H13NO3S/c1-4(9)8-5(6(10)11)7(2,3)12/h5,12H,1-3H3,(H,8,9)(H,10,11)"	"MNNBCKASUFBXCO-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"59-63-2"	"DTXSID4023171"	"Isocarboxazid"	"EPA_DSSTox"	"CC1=CC(=NO1)C(=O)NNCC1C=CC=CC=1"	"?"	"InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)"	"XKFPYPQQHFEXRZ-UHFFFAOYSA-N"	FALSE	FALSE	280	2	3
"59-67-6"	"DTXSID1020932"	"Nicotinic acid"	"EPA_DSSTox"	"OC(=O)C1C=NC=CC=1"	"?"	"InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)"	"PVNIIMVLHYAWGP-UHFFFAOYSA-N"	FALSE	TRUE	4500	3	5
"59-89-2"	"DTXSID4021056"	"N-Nitrosomorpholine"	"EPA_DSSTox"	"O=NN1CCOCC1"	"?"	"InChI=1S/C4H8N2O2/c7-5-6-1-3-8-4-2-6/h1-4H2"	"ZKXDGKXYMTYWTB-UHFFFAOYSA-N"	FALSE	FALSE	282	2	3
"59-92-7"	"DTXSID9023209"	"L-Dopa"	"EPA_DSSTox"	"NC(CC1C=C(O)C(O)=CC=1)C(O)=O"	"?"	"InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)"	"WTDRDQBEARUVNC-UHFFFAOYSA-N"	FALSE	FALSE	1780	3	4
"59-96-1"	"DTXSID0023458"	"Phenoxybenzamine"	"EPA_DSSTox"	"CC(COC1C=CC=CC=1)N(CCCl)CC1C=CC=CC=1"	"?"	"InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3"	"QZVCTJOXCFMACW-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"59-97-2"	"DTXSID9021718"	"Tolazoline hydrochloride"	"EPA_DSSTox"	"C(C1NCCN=1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)"	"JIVZKJJQOZQXQB-UHFFFAOYSA-N"	FALSE	FALSE	1200	3	4
"590-00-1"	"DTXSID7027835"	"Potassium sorbate"	"EPA_DSSTox"	"CC=CC=CC(O)=O"	"[K+]"	"InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)"	"WSWCOQWTEOXDQX-UHFFFAOYSA-N"	FALSE	TRUE	4340	3	5
"590-12-5"	NA	NA	"Public_CrossChecked"	"BrC=CBr"	"?"	"InChI=1S/C2H2Br2/c3-1-2-4/h1-2H"	"UWTUEMKLYAGTNQ-UHFFFAOYSA-N"	FALSE	FALSE	62	2	3
"590-21-6"	"DTXSID5020318"	"1-Chloropropene"	"EPA_DSSTox"	"CC=CCl"	"?"	"InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3"	"OWXJKYNZGFSVRC-UHFFFAOYSA-N"	FALSE	FALSE	1950	3	4
"590-28-3"	"DTXSID2047692"	"Potassium cyanate"	"EPA_DSSTox"	"N=C=O"	"[K+]"	"InChI=1S/CHNO/c2-1-3/h2H"	"OWIKHYCFFJSOEH-UHFFFAOYSA-N"	FALSE	FALSE	567	3	4
"590-86-3"	"DTXSID1021619"	"3-Methylbutanal"	"EPA_DSSTox"	"CC(C)CC=O"	"?"	"InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3"	"YGHRJJRRZDOVPD-UHFFFAOYSA-N"	FALSE	TRUE	5600	4	5
"590-88-5"	NA	NA	"Public_CrossChecked"	"CC(N)CCN"	"?"	"InChI=1S/C4H12N2/c1-4(6)2-3-5/h4H,2-3,5-6H2,1H3"	"RGTXVXDNHPWPHH-UHFFFAOYSA-N"	FALSE	FALSE	1350	3	4
"59017-64-0"	"DTXSID5023166"	"Ioxaglic acid"	"EPA_DSSTox"	"CC(=O)N(C)C1=C(I)C(=C(I)C(=C1I)C(=O)NC)C(=O)NCC(=O)NC1C(I)=C(C(I)=C(C=1I)C(=O)NCCO)C(O)=O"	"?"	"InChI=1S/C24H21I6N5O8/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43)"	"TYYBFXNZMFNZJT-UHFFFAOYSA-N"	FALSE	TRUE	13300	4	5
"5902-51-2"	"DTXSID8024317"	"Terbacil"	"EPA_DSSTox"	"CC1NC(=O)N(C(=O)C=1Cl)C(C)(C)C"	"?"	"InChI=1S/C9H13ClN2O2/c1-5-6(10)7(13)12(8(14)11-5)9(2,3)4/h1-4H3,(H,11,14)"	"NBQCNZYJJMBDKY-UHFFFAOYSA-N"	FALSE	FALSE	1700	3	4
"5902-52-3"	NA	NA	"Public_CrossChecked"	"COP(N)(=S)OC1C=CC(=CC=1Cl)C(C)(C)C"	"?"	"InChI=1S/C11H17ClNO2PS/c1-11(2,3)8-5-6-10(9(12)7-8)15-16(13,17)14-4/h5-7H,1-4H3,(H2,13,17)"	"HAJQRNZSYDJREE-UHFFFAOYSA-N"	FALSE	FALSE	820	3	4
"5902-85-2"	"DTXSID5058432"	"Monoethanolammonium 2-mercaptobenzothiazolate"	"EPA_DSSTox"	"S=C1NC2C=CC=CC=2S1"	"NCCO"	"InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)"	"YXIWHUQXZSMYRE-UHFFFAOYSA-N"	FALSE	FALSE	631	3	4
"59021-02-2"	"DTXSID3069302"	"Pyrazinemethanethiol"	"EPA_DSSTox"	"SCC1=CN=CC=N1"	"?"	"InChI=1S/C5H6N2S/c8-4-5-3-6-1-2-7-5/h1-3,8H,4H2"	"VQFGDOHENLRPFB-UHFFFAOYSA-N"	FALSE	FALSE	1700	3	4
"59021-03-3"	"DTXSID8069303"	"Pyrazine, [(methylthio)methyl]-"	"EPA_DSSTox"	"CSCC1=CN=CC=N1"	"?"	"InChI=1S/C6H8N2S/c1-9-5-6-4-7-2-3-8-6/h2-4H,5H2,1H3"	"PNGHTEYYARFCTE-UHFFFAOYSA-N"	FALSE	TRUE	2150	3	5
"5903-13-9"	"DTXSID1058139"	"MNAF"	"EPA_DSSTox"	"CN(C(=O)CF)C1=CC=CC2=CC=CC=C21"	"?"	"InChI=1S/C13H12FNO/c1-15(13(16)9-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3"	"ADRPZEYTIFWCBC-UHFFFAOYSA-N"	FALSE	FALSE	67	2	3
"59035-98-2"	NA	NA	"Public_CrossChecked"	"CC1=NC=CN=C1SCC1=CC=CO1"	"?"	"InChI=1S/C10H10N2OS/c1-8-10(12-5-4-11-8)14-7-9-3-2-6-13-9/h2-6H,7H2,1H3"	"PFRSWMCUERVSAT-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"591-12-8"	"DTXSID7047693"	"alpha-Angelica lactone"	"EPA_DSSTox"	"CC1=CCC(=O)O1"	"?"	"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3"	"QOTQFLOTGBBMEX-UHFFFAOYSA-N"	FALSE	TRUE	3900	3	5
"591-27-5"	"DTXSID3024497"	"3-Aminophenol"	"EPA_DSSTox"	"NC1=CC(O)=CC=C1"	"?"	"InChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2"	"CWLKGDAVCFYWJK-UHFFFAOYSA-N"	FALSE	FALSE	920	3	4
"591-50-4"	"DTXSID8060452"	"Benzene, iodo-"	"EPA_DSSTox"	"IC1C=CC=CC=1"	"?"	"InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H"	"SNHMUERNLJLMHN-UHFFFAOYSA-N"	FALSE	FALSE	1749	3	4
"591-60-6"	"DTXSID3060453"	"Butanoic acid, 3-oxo-, butyl ester"	"EPA_DSSTox"	"CC(=O)CC(=O)OCCCC"	"?"	"InChI=1S/C8H14O3/c1-3-4-5-11-8(10)6-7(2)9/h3-6H2,1-2H3"	"REIYHFWZISXFKU-UHFFFAOYSA-N"	FALSE	TRUE	11260	4	5
"591-78-6"	"DTXSID0022068"	"2-Hexanone"	"EPA_DSSTox"	"CCCCC(C)=O"	"?"	"InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3"	"QQZOPKMRPOGIEB-UHFFFAOYSA-N"	FALSE	TRUE	2590	3	5
"591-80-0"	"DTXSID0044448"	"4-Pentenoic acid"	"EPA_DSSTox"	"C=CCCC(O)=O"	"?"	"InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7)"	"HVAMZGADVCBITI-UHFFFAOYSA-N"	FALSE	FALSE	470	2	4
"591-87-7"	"DTXSID9024437"	"Allyl acetate"	"EPA_DSSTox"	"CC(=O)OCC=C"	"?"	"InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3"	"FWZUNOYOVVKUNF-UHFFFAOYSA-N"	FALSE	FALSE	130	2	3
"5910-85-0"	"DTXSID9064057"	"2,4-Heptadienal"	"EPA_DSSTox"	"CCC=CC=CC=O"	"?"	"InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3"	"SATICYYAWWYRAM-UHFFFAOYSA-N"	FALSE	FALSE	1150	3	4
"5910-89-4"	"DTXSID4064058"	"Pyrazine, 2,3-dimethyl-"	"EPA_DSSTox"	"CC1N=CC=NC=1C"	"?"	"InChI=1S/C6H8N2/c1-5-6(2)8-4-3-7-5/h3-4H,1-2H3"	"OXQOBQJCDNLAPO-UHFFFAOYSA-N"	FALSE	FALSE	613	3	4
"59118-21-7"	"DTXSID40207859"	"Furo(3,4-e)-as-triazine, 5,7-dihydro-3-(m-nitrophenyl)-5,5,7,7-tetramethyl-, 4-oxide"	"EPA_DSSTox"	"CC1(C)OC(C)(C)C2C1=NN=C(C1C=CC(=CC=1)[N+]([O-])=O)[N+]=2[O-]"	"?"	"InChI=1S/C15H16N4O4/c1-14(2)11-12(15(3,4)23-14)18(20)13(17-16-11)9-5-7-10(8-6-9)19(21)22/h5-8H,1-4H3"	"JOMHSNDVIFCDRB-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"59122-46-2"	"DTXSID7020897"	"Misoprostol"	"EPA_DSSTox"	"CCCCC(C)(O)CC=CC1C(CCCCCCC(=O)OC)C(=O)CC1O"	"?"	"InChI=1S/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3"	"OJLOPKGSLYJEMD-UHFFFAOYSA-N"	FALSE	FALSE	81	2	3
"59128-97-1"	NA	NA	"Public_CrossChecked"	"O=C1CN2CCOC2(C2=CC=CC=C2F)C2C=C(Br)C=CC=2N1"	"?"	"InChI=1S/C17H14BrFN2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)"	"XDKCGKQHVBOOHC-UHFFFAOYSA-N"	FALSE	TRUE	2858	3	5
"59130-69-7"	"DTXSID20866741"	"Hexanoic acid, 2-ethyl-, hexadecyl ester"	"EPA_DSSTox"	"CCC(CCCC)C(=O)OCCCCCCCCCCCCCCCC"	"?"	"InChI=1S/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-22-26-24(25)23(6-3)21-8-5-2/h23H,4-22H2,1-3H3"	"XJNUECKWDBNFJV-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"5914-66-9"	"DTXSID10207881"	"Benzoic acid, 3,4,5-trimethoxy-, 4-(4-phenyl-1-piperazinyl)butyl ester, dihydrochloride"	"EPA_DSSTox"	"COC1C=C(C=C(OC)C=1OC)C(=O)OCCCCN1CCN(CC1)C1C=CC=CC=1"	"Cl.Cl"	"InChI=1S/C24H32N2O5/c1-28-21-17-19(18-22(29-2)23(21)30-3)24(27)31-16-8-7-11-25-12-14-26(15-13-25)20-9-5-4-6-10-20/h4-6,9-10,17-18H,7-8,11-16H2,1-3H3"	"RJRFVKJEQCCOTJ-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"59182-63-7"	NA	NA	"Public_CrossChecked"	"CC(CC1CCCCC1)NCCC(C1=CC=CC=C1)C1=CC=CC=C1"	"?"	"InChI=1S/C24H33N/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h3-4,7-10,13-16,20-21,24-25H,2,5-6,11-12,17-19H2,1H3"	"HTAFVGKAHGNWQO-UHFFFAOYSA-N"	FALSE	FALSE	1550	3	4
"592-31-4"	"DTXSID6020222"	"N-Butylurea"	"EPA_DSSTox"	"CCCCNC(N)=O"	"?"	"InChI=1S/C5H12N2O/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)"	"CNWSQCLBDWYLAN-UHFFFAOYSA-N"	FALSE	FALSE	1255	3	4
"59204-74-9"	"DTXSID90207945"	"Egomaketone"	"EPA_DSSTox"	"CC(C)=CCC(=O)C1C=COC=1"	"?"	"InChI=1S/C10H12O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h3,5-7H,4H2,1-2H3"	"MGIXHQSSTZKVOO-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"59214-90-3"	"DTXSID90207960"	"3-Pyridinecarboxamide, N-(2-amino-5-(trifluoromethyl)phenyl)-, dihydrochloride"	"EPA_DSSTox"	"NC1C=CC(=CC=1NC(=O)C1C=NC=CC=1)C(F)(F)F"	"Cl.Cl"	"InChI=1S/C13H10F3N3O/c14-13(15,16)9-3-4-10(17)11(6-9)19-12(20)8-2-1-5-18-7-8/h1-7H,17H2,(H,19,20)"	"UBQWMGRUZVYOPY-UHFFFAOYSA-N"	FALSE	FALSE	850	3	4
"59227-74-6"	NA	NA	"Public_CrossChecked"	"CC(C)(C)NCCC(O)C1C=C(N=C2C(=CC=CC=12)C(F)(F)F)C(F)(F)F"	"?"	"InChI=1S/C18H20F6N2O/c1-16(2,3)25-8-7-13(27)11-9-14(18(22,23)24)26-15-10(11)5-4-6-12(15)17(19,20)21/h4-6,9,13,25,27H,7-8H2,1-3H3"	"NEZJFNMPGLCANK-UHFFFAOYSA-N"	FALSE	TRUE	2090	3	5
"59227-89-3"	"DTXSID0042086"	"Laurocapram"	"EPA_DSSTox"	"CCCCCCCCCCCCN1CCCCCC1=O"	"?"	"InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-13-16-19-17-14-11-12-15-18(19)20/h2-17H2,1H3"	"AXTGDCSMTYGJND-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"59230-57-8"	"DTXSID0052259"	"4-Isopropylbenzyl acetate"	"EPA_DSSTox"	"CC(=O)OCC1=CC=C(C=C1)C(C)C"	"?"	"InChI=1S/C12H16O2/c1-9(2)12-6-4-11(5-7-12)8-14-10(3)13/h4-7,9H,8H2,1-3H3"	"QBCRVYRADYXNOW-UHFFFAOYSA-N"	FALSE	FALSE	1450	3	4
"59263-66-0"	NA	NA	"Public_CrossChecked"	"CN(C=NC1=CC=C(C)C=C1C)SN(C)C=NC1=CC=C(C)C=C1C"	"?"	"InChI=1S/C20H26N4S/c1-15-7-9-19(17(3)11-15)21-13-23(5)25-24(6)14-22-20-10-8-16(2)12-18(20)4/h7-14H,1-6H3"	"GHNUBEGHGNEWIT-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"59263-76-2"	"DTXSID3045485"	"Meptazinol hydrochloride"	"EPA_DSSTox"	"CCC1(CN(C)CCCC1)C1C=CC=C(O)C=1"	"Cl"	"InChI=1S/C15H23NO/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13/h6-8,11,17H,3-5,9-10,12H2,1-2H3"	"JLICHNCFTLFZJN-UHFFFAOYSA-N"	FALSE	FALSE	1260	3	4
"59277-89-3"	"DTXSID1022556"	"Acyclovir"	"EPA_DSSTox"	"NC1NC(=O)C2N=CN(COCCO)C=2N=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"	FALSE	TRUE	NA	4	5
"5928-69-8"	"DTXSID20207998"	"Linadryl hydrochloride"	"EPA_DSSTox"	"C1CN(CCOC(C2=CC=CC=C2)C2=CC=CC=C2)CCO1"	"Cl"	"InChI=1S/C19H23NO2/c1-3-7-17(8-4-1)19(18-9-5-2-6-10-18)22-16-13-20-11-14-21-15-12-20/h1-10,19H,11-16H2"	"MJPJBBIHDOFGDK-UHFFFAOYSA-N"	FALSE	FALSE	916	3	4
"593-45-3"	"DTXSID9047172"	"Octadecane"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCC"	"?"	"InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3"	"RZJRJXONCZWCBN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"593-51-1"	"DTXSID30873360"	"Methylammonium chloride (1:1)"	"EPA_DSSTox"	"CN"	"[Cl-]"	"InChI=1S/CH5N/c1-2/h2H2,1H3"	"BAVYZALUXZFZLV-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"593-60-2"	"DTXSID8021432"	"Vinyl bromide"	"EPA_DSSTox"	"C=CBr"	"?"	"InChI=1S/C2H3Br/c1-2-3/h2H,1H2"	"INLLPKCGLOXCIV-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"593-67-9"	"DTXSID2075053"	"Vinylamine"	"EPA_DSSTox"	"C=CN"	"?"	"InChI=1S/C2H5N/c1-2-3/h2H,1,3H2"	"UYMKPFRHYYNDTL-UHFFFAOYSA-N"	FALSE	FALSE	1850	3	4
"593-79-3"	"DTXSID6074752"	"Methane, selenobis-"	"EPA_DSSTox"	"C[Se]C"	"?"	"InChI=1S/C2H6Se/c1-3-2/h1-2H3"	"RVIXKDRPFPUUOO-UHFFFAOYSA-N"	FALSE	TRUE	2100	3	5
"593-82-8"	"DTXSID30208037"	"Hydrazine, 1,1-dimethyl-, hydrochloride"	"EPA_DSSTox"	"CN(C)N"	"Cl"	"InChI=1S/C2H8N2/c1-4(2)3/h3H2,1-2H3"	"RHUYHJGZWVXEHW-UHFFFAOYSA-N"	FALSE	FALSE	196	2	3
"5930-71-2"	"DTXSID8064064"	"Thioperoxydiphosphoric acid ([(HO)2P(S)]2S2), tetramethyl ester"	"EPA_DSSTox"	"COP(=S)(OC)SSP(=S)(OC)OC"	"?"	"InChI=1S/C4H12O4P2S4/c1-5-9(11,6-2)13-14-10(12,7-3)8-4/h1-4H3"	"HUTQNWSTEVZUML-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"59323-76-1"	"DTXSID9052260"	"(2R,4S)-2-Methyl-4-propyl-1,3-oxathiane"	"EPA_DSSTox"	"CC1OCCC(CCC)S1"	"?"	"InChI=1S/C8H16OS/c1-3-4-8-5-6-9-7(2)10-8/h7-8H,3-6H2,1-2H3"	"GKGOLPMYJJXRGD-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"59330-98-2"	"DTXSID20208066"	"Benzene, dichlorocyclohexyl-"	"EPA_DSSTox"	"ClC1=C(C=CC=C1Cl)C1CCCCC1"	"?"	"InChI=1S/C12H14Cl2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2"	"HNBHQJKIADDNFP-UHFFFAOYSA-N"	FALSE	TRUE	4750	3	5
"59333-90-3"	NA	NA	"Public_CrossChecked"	"CC(C)NCC(O)COC1C=CC=CC=1C1CCCCC1"	"Cl"	"InChI=1S/C18H29NO2/c1-14(2)19-12-16(20)13-21-18-11-7-6-10-17(18)15-8-4-3-5-9-15/h6-7,10-11,14-16,19-20H,3-5,8-9,12-13H2,1-2H3"	"ABXHHEZNIJUQFM-UHFFFAOYSA-N"	FALSE	FALSE	1850	3	4
"5934-55-4"	NA	NA	"Public_CrossChecked"	"CCC1CC2CC3C1N(C2)CCC1C2=CC(=CC=C2NC=13)OC"	"Cl"	"InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3"	"HSIBGVUMFOSJPD-UHFFFAOYSA-N"	FALSE	FALSE	482	2	4
"59354-78-8"	"DTXSID50208099"	"Neononanoic acid"	"EPA_DSSTox"	"CC(C)(C)CCCCC(O)=O"	"?"	"InChI=1S/C9H18O2/c1-9(2,3)7-5-4-6-8(10)11/h4-7H2,1-3H3,(H,10,11)"	"AAOISIQFPPAFQO-UHFFFAOYSA-N"	FALSE	TRUE	2066	3	5
"59375-53-0"	NA	NA	"Public_CrossChecked"	"CNC(=O)ON=C1SCCSC1(C)C"	"?"	"InChI=1S/C8H14N2O2S2/c1-8(2)6(13-4-5-14-8)10-12-7(11)9-3/h4-5H2,1-3H3,(H,9,11)"	"IROZTMXZRABVJX-UHFFFAOYSA-N"	TRUE	FALSE	0.27	1	1
"59375-61-0"	NA	NA	"Public_CrossChecked"	"CC1(C)SCSC1=NOC(=O)NC"	"?"	"InChI=1S/C7H12N2O2S2/c1-7(2)5(12-4-13-7)9-11-6(10)8-3/h4H2,1-3H3,(H,8,10)"	"PCDZMECYEHUIDQ-UHFFFAOYSA-N"	TRUE	FALSE	0.67	1	1
"59375-66-5"	NA	NA	"Public_CrossChecked"	"CC1SCSC1=NOC(=O)NC"	"?"	"InChI=1S/C6H10N2O2S2/c1-4-5(12-3-11-4)8-10-6(9)7-2/h4H,3H2,1-2H3,(H,7,9)"	"XBGUTAISSLTGIB-UHFFFAOYSA-N"	TRUE	FALSE	0.88	1	1
"59375-67-6"	NA	NA	"Public_CrossChecked"	"CC1(C)SC(CS1)=NOC(=O)NC"	"?"	"InChI=1S/C7H12N2O2S2/c1-7(2)12-4-5(13-7)9-11-6(10)8-3/h4H2,1-3H3,(H,8,10)"	"VYOXJEOCICEUOX-UHFFFAOYSA-N"	TRUE	FALSE	2	1	1
"59375-68-7"	NA	NA	"Public_CrossChecked"	"NC(=O)ON=C1CSCCS1"	"?"	"InChI=1S/C5H8N2O2S2/c6-5(8)9-7-4-3-10-1-2-11-4/h1-3H2,(H2,6,8)"	"GUQTXYUAOYKQLY-UHFFFAOYSA-N"	FALSE	FALSE	52	2	3
"59375-71-2"	NA	NA	"Public_CrossChecked"	"CNC(=O)ON=C1SCCSC1C"	"?"	"InChI=1S/C7H12N2O2S2/c1-5-6(13-4-3-12-5)9-11-7(10)8-2/h5H,3-4H2,1-2H3,(H,8,10)"	"UNTSPMCSYMCSNZ-UHFFFAOYSA-N"	TRUE	FALSE	2.2	1	1
"594-42-3"	"DTXSID6025854"	"Perchloromethylmercaptan"	"EPA_DSSTox"	"ClSC(Cl)(Cl)Cl"	"?"	"InChI=1S/CCl4S/c2-1(3,4)6-5"	"RYFZYYUIAZYQLC-UHFFFAOYSA-N"	FALSE	FALSE	82.6	2	3
"594-44-5"	"DTXSID0060486"	"Ethanesulfonyl chloride"	"EPA_DSSTox"	"CCS(=O)(=O)Cl"	"?"	"InChI=1S/C2H5ClO2S/c1-2-6(3,4)5/h2H2,1H3"	"FRYHCSODNHYDPU-UHFFFAOYSA-N"	FALSE	FALSE	360	2	4
"59443-94-6"	"DTXSID0069331"	"Benzenepropanenitrile, 4-amino-.beta.-oxo-"	"EPA_DSSTox"	"NC1=CC=C(C=C1)C(=O)CC#N"	"?"	"InChI=1S/C9H8N2O/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4H,5,11H2"	"BEWGVKVWWKCFHO-UHFFFAOYSA-N"	FALSE	TRUE	2263	3	5
"59463-54-6"	"DTXSID6073574"	"O-Ethyl S-cyanomethyl xanathate"	"EPA_DSSTox"	"CCOC(=S)SCC#N"	"?"	"InChI=1S/C5H7NOS2/c1-2-7-5(8)9-4-3-6/h2,4H2,1H3"	"HYURBBIIHCNUSC-UHFFFAOYSA-N"	FALSE	FALSE	210	2	3
"59467-70-8"	"DTXSID5023320"	"Midazolam"	"EPA_DSSTox"	"CC1=NC=C2CN=C(C3=CC=CC=C3F)C3=CC(Cl)=CC=C3N21"	"?"	"InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3"	"DDLIGBOFAVUZHB-UHFFFAOYSA-N"	FALSE	FALSE	215	2	3
"59470-49-4"	NA	NA	"Public_CrossChecked"	"OC(=O)C1OC(NNC(=O)C2C=CN=CC=2)C(O)C(O)C1O"	"[Na+]"	"InChI=1S/C12H15N3O7/c16-6-7(17)9(12(20)21)22-11(8(6)18)15-14-10(19)5-1-3-13-4-2-5/h1-4,6-9,11,15-18H,(H,14,19)(H,20,21)"	"QVJOLLPKYFYTIH-UHFFFAOYSA-N"	FALSE	TRUE	20325	4	5
"5954-10-9"	"DTXSID80208224"	"Phosphorothioic acid, O,O-diethyl S-pentachlorophenyl ester"	"EPA_DSSTox"	"CCOP(=O)(OCC)SC1C(Cl)=C(Cl)C(Cl)=C(Cl)C=1Cl"	"?"	"InChI=1S/C10H10Cl5O3PS/c1-3-17-19(16,18-4-2)20-10-8(14)6(12)5(11)7(13)9(10)15/h3-4H2,1-2H3"	"PFQVWSAUKWVGGW-UHFFFAOYSA-N"	FALSE	FALSE	925	3	4
"59558-23-5"	"DTXSID9052262"	"4-Methylphenyl octanoate"	"EPA_DSSTox"	"CC1C=CC(=CC=1)OC(=O)CCCCCCC"	"?"	"InChI=1S/C15H22O2/c1-3-4-5-6-7-8-15(16)17-14-11-9-13(2)10-12-14/h9-12H,3-8H2,1-2H3"	"ALRYNTSLFYRKGF-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"5956-63-8"	NA	NA	"Public_CrossChecked"	"COC1C(O)=CC2C(=O)OC3C(OC(CO)C(O)C3O)C=2C=1O"	"?"	"InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3"	"YWJXCIXBAKGUKZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"5957-17-5"	"DTXSID00884206"	"Ethanaminium, N,N,N-triethyl-2-hydroxy-, iodide (1:1)"	"EPA_DSSTox"	"CC[N+](CCO)(CC)CC"	"[I-]"	"InChI=1S/C8H20NO/c1-4-9(5-2,6-3)7-8-10/h10H,4-8H2,1-3H3/q+1"	"GZBUMTPCIKCWFW-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"5957-75-5"	"DTXSID20878586"	"6H-DIBENZO[B,D]PYRAN-1-OL, 6A,7,10,10A-TETRAHYDR"	"EPA_DSSTox"	"CC1CC2C(CC=1)C(C)(C)OC1=CC(CCCCC)=CC(O)=C12"	"?"	"InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3"	"HCAWPGARWVBULJ-UHFFFAOYSA-N"	FALSE	FALSE	860	3	4
"596-51-0"	"DTXSID6023109"	"Glycopyrrolate bromide"	"EPA_DSSTox"	"C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)C1C=CC=CC=1"	"[Br-]"	"InChI=1S/C19H28NO3/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3/q+1"	"ANGKOCUUWGHLCE-UHFFFAOYSA-N"	FALSE	FALSE	709	3	4
"5965-13-9"	NA	NA	"Public_CrossChecked"	"COC1=CC=C2CC3C4CCC(O)C5OC1=C2C45CCN3C"	"[C@@H]([C@H](C(=O)O)O)(C(=O)O)O"	"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"	FALSE	FALSE	359	2	4
"5965-49-1"	"DTXSID00208327"	"Ketobemidone hydrochloride"	"EPA_DSSTox"	"CCC(=O)C1(CCN(C)CC1)C1C=CC=C(O)C=1"	"Cl"	"InChI=1S/C15H21NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,17H,3,7-10H2,1-2H3"	"ALFGKMXHOUSVAD-UHFFFAOYSA-N"	FALSE	FALSE	215	2	3
"59652-29-8"	NA	NA	"Public_CrossChecked"	"CCC1C=CC=C2C=C(OC2=1)C(O)CNC(C)(C)C"	"Cl"	"InChI=1S/C16H23NO2/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4/h6-9,13,17-18H,5,10H2,1-4H3"	"SSEBTPPFLLCUMN-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"59669-26-0"	"DTXSID0032578"	"Thiodicarb"	"EPA_DSSTox"	"CN(SN(C)C(=O)ON=C(C)SC)C(=O)ON=C(C)SC"	"?"	"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"	"XDOTVMNBCQVZKG-UHFFFAOYSA-N"	FALSE	FALSE	66	2	3
"59682-52-9"	"DTXSID5043976"	"Fosamine"	"EPA_DSSTox"	"CCOP(O)(=O)C(N)=O"	"?"	"InChI=1S/C3H8NO4P/c1-2-8-9(6,7)3(4)5/h2H2,1H3,(H2,4,5)(H,6,7)"	"UCHDFLNGIZUADY-UHFFFAOYSA-N"	FALSE	TRUE	10125	4	5
"597-25-1"	"DTXSID5020495"	"Dimethyl morpholinophosphoramidate"	"EPA_DSSTox"	"COP(=O)(OC)N1CCOCC1"	"?"	"InChI=1S/C6H14NO4P/c1-9-12(8,10-2)7-3-5-11-6-4-7/h3-6H2,1-2H3"	"BZXUQIDKDGGYPB-UHFFFAOYSA-N"	FALSE	TRUE	5910	4	5
"597-82-0"	"DTXSID4029191"	"Phosphorothioic acid, O,O,O-triphenyl ester"	"EPA_DSSTox"	"S=P(OC1C=CC=CC=1)(OC1C=CC=CC=1)OC1C=CC=CC=1"	"?"	"InChI=1S/C18H15O3PS/c23-22(19-16-10-4-1-5-11-16,20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H"	"IKXFIBBKEARMLL-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"597-88-6"	NA	NA	"Public_CrossChecked"	"CCSP(=O)(OC1C=CC(=CC=1)[N+]([O-])=O)OCC"	"?"	"InChI=1S/C10H14NO5PS/c1-3-15-17(14,18-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3"	"BGWJTLLALYACOG-UHFFFAOYSA-N"	TRUE	FALSE	17.9	1	2
"59703-84-3"	"DTXSID6048965"	"Piperacillin sodium salt"	"EPA_DSSTox"	"CCN1CCN(C(=O)C1=O)C(=O)NC(C1C=CC=CC=1)C(=O)NC1C2SC(C)(C)C(C(O)=O)N2C1=O"	"[Na+]"	"InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)"	"IVBHGBMCVLDMKU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"59708-57-5"	NA	NA	"Public_CrossChecked"	"CC1C(=CC=CC=1C)OCC(O)CNC(C)(C)C"	"Cl"	"InChI=1S/C15H25NO2/c1-11-7-6-8-14(12(11)2)18-10-13(17)9-16-15(3,4)5/h6-8,13,16-17H,9-10H2,1-5H3"	"RKUQLAPSGZJLGP-UHFFFAOYSA-N"	FALSE	FALSE	575	3	4
"59721-29-8"	"DTXSID0020238"	"Camostat mesylate"	"EPA_DSSTox"	"[H]/N=C(\N)/NC1C=CC(=CC=1)C(=O)OC1=CC=C(CC(=O)OCC(=O)N(C)C)C=C1"	"O=S(=O)(C)O"	"InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)"	"XASIMHXSUQUHLV-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"5974-09-4"	NA	NA	"Public_CrossChecked"	"COC1C=CC(=CC=1OC)C(CCCC1C=CC=CC=1)N(C)C"	"?"	"InChI=1S/C20H27NO2/c1-21(2)18(12-8-11-16-9-6-5-7-10-16)17-13-14-19(22-3)20(15-17)23-4/h5-7,9-10,13-15,18H,8,11-12H2,1-4H3"	"HEFVRVOEBZDOJU-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"59756-60-4"	"DTXSID8024107"	"Fluridone"	"EPA_DSSTox"	"CN1C=C(C(=O)C(=C1)C1C=CC=CC=1)C1=CC(=CC=C1)C(F)(F)F"	"?"	"InChI=1S/C19H14F3NO/c1-23-11-16(13-6-3-2-4-7-13)18(24)17(12-23)14-8-5-9-15(10-14)19(20,21)22/h2-12H,1H3"	"YWBVHLJPRPCRSD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"5976-95-4"	"DTXSID10208494"	"Butanedioic acid, 2,3-dihydroxy-, ion(2-), (R*,S*)- (9CI)"	"EPA_DSSTox"	"OC(=O)C(O)C(O)C(O)=O"	"?"	"InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)"	"FEWJPZIEWOKRBE-UHFFFAOYSA-N"	FALSE	TRUE	4748	3	5
"598-52-7"	"DTXSID90208533"	"N-Methylthiourea"	"EPA_DSSTox"	"CNC(N)=S"	"?"	"InChI=1S/C2H6N2S/c1-4-2(3)5/h1H3,(H3,3,4,5)"	"KQJQICVXLJTWQD-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"598-56-1"	"DTXSID4027232"	"N,N-Dimethylethylamine"	"EPA_DSSTox"	"CCN(C)C"	"?"	"InChI=1S/C4H11N/c1-4-5(2)3/h4H2,1-3H3"	"DAZXVJBJRMWXJP-UHFFFAOYSA-N"	FALSE	FALSE	594	3	4
"598-58-3"	"DTXSID4073205"	"Methyl nitrate"	"EPA_DSSTox"	"CO[N+]([O-])=O"	"?"	"InChI=1S/CH3NO3/c1-5-2(3)4/h1H3"	"LRMHVVPPGGOAJQ-UHFFFAOYSA-N"	FALSE	FALSE	344	2	4
"598-62-9"	"DTXSID1042108"	"Manganese carbonate (1:1)"	"EPA_DSSTox"	"OC(O)=O"	"[Mn+2]"	"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)"	"BVKZGUZCCUSVTD-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"598-77-6"	"DTXSID3024362"	"1,1,2-Trichloropropane"	"EPA_DSSTox"	"CC(Cl)C(Cl)Cl"	"?"	"InChI=1S/C3H5Cl3/c1-2(4)3(5)6/h2-3H,1H3"	"GRSQYISVQKPZCW-UHFFFAOYSA-N"	FALSE	FALSE	1230	3	4
"598-78-7"	"DTXSID0021545"	"2-Chloropropanoic acid"	"EPA_DSSTox"	"CC(Cl)C(O)=O"	"?"	"InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)"	"GAWAYYRQGQZKCR-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"598-91-4"	"DTXSID9021637"	"Dibromonitromethane"	"EPA_DSSTox"	"[O-][N+](=O)C(Br)Br"	"?"	"InChI=1S/CHBr2NO2/c2-1(3)4(5)6/h1H"	"GQEVYCCMYUNRHJ-UHFFFAOYSA-N"	FALSE	FALSE	86	2	3
"59804-37-4"	"DTXSID8045486"	"Tenoxicam"	"EPA_DSSTox"	"CN1C(=C(O)C2SC=CC=2S1(=O)=O)C(=O)NC1C=CC=CN=1"	"?"	"InChI=1S/C13H11N3O4S2/c1-16-10(13(18)15-9-4-2-3-6-14-9)11(17)12-8(5-7-21-12)22(16,19)20/h2-7,17H,1H3,(H,14,15,18)"	"LZNWYQJJBLGYLT-UHFFFAOYSA-N"	FALSE	FALSE	79	2	3
"5986-38-9"	"DTXSID4052265"	"2,6-Dimethyl-5,7-octadien-2-ol"	"EPA_DSSTox"	"CC(C=C)=CCCC(C)(C)O"	"?"	"InChI=1S/C10H18O/c1-5-9(2)7-6-8-10(3,4)11/h5,7,11H,1,6,8H2,2-4H3"	"IJFKZRMIRAVXRK-UHFFFAOYSA-N"	FALSE	FALSE	1700	3	4
"59865-13-3"	"DTXSID0020365"	"Cyclosporin A"	"EPA_DSSTox"	"CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C"	"?"	"InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)"	"PMATZTZNYRCHOR-UHFFFAOYSA-N"	FALSE	FALSE	1480	3	4
"59866-21-6"	NA	NA	"Public_CrossChecked"	"OC(=O)C(=O)CC(O)=O"	"[Mg+2]"	"InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)"	"KHPXUQMNIQBQEV-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"59866-24-9"	"DTXSID60208585"	"Butanedioic acid, oxo-, manganese (2+) salt (1:1)"	"EPA_DSSTox"	"OC(=O)C(=O)CC(O)=O"	"[Mn+2]"	"InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)"	"KHPXUQMNIQBQEV-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"59875-04-6"	NA	NA	"Public_CrossChecked"	"CCCC(=O)NC(C)C(O)=O"	"?"	"InChI=1S/C7H13NO3/c1-3-4-6(9)8-5(2)7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)"	"DTIMTCJMOWXMGT-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"5988-51-2"	NA	NA	"Public_CrossChecked"	"OC(=O)C(O)C(O)C(O)=O"	"C[NH+](C)CCO"	"InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)"	"FEWJPZIEWOKRBE-UHFFFAOYSA-N"	FALSE	TRUE	2600	3	5
"5989-27-5"	"DTXSID1020778"	"D-Limonene"	"EPA_DSSTox"	"CC1CCC(CC=1)C(C)=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"	FALSE	TRUE	4400	3	5
"59894-87-0"	NA	NA	"Public_CrossChecked"	"N#CCCC1CN2CCC3C=C4OCOC4=CC=3C2CC1=O"	"?"	"InChI=1S/C17H18N2O3/c18-4-1-2-12-9-19-5-3-11-6-16-17(22-10-21-16)7-13(11)14(19)8-15(12)20/h6-7,12,14H,1-3,5,8-10H2"	"BMSZCHLQCAIPQR-UHFFFAOYSA-N"	FALSE	FALSE	1408	3	4
"59894-95-0"	NA	NA	"Public_CrossChecked"	"CCOC1=CC2CCN3CC(CCC#N)C(=O)CC3C=2C=C1OCC"	"?"	"InChI=1S/C20H26N2O3/c1-3-24-19-10-14-7-9-22-13-15(6-5-8-21)18(23)12-17(22)16(14)11-20(19)25-4-2/h10-11,15,17H,3-7,9,12-13H2,1-2H3"	"WSOLXOBNHSHKFH-UHFFFAOYSA-N"	FALSE	FALSE	780	3	4
"59897-92-6"	NA	NA	"Public_CrossChecked"	"CCOC(=O)CC(C)(C)C(Cl)C=C(Cl)Cl"	"?"	"InChI=1S/C10H15Cl3O2/c1-4-15-9(14)6-10(2,3)7(11)5-8(12)13/h5,7H,4,6H2,1-3H3"	"PIUGWHOPZWEXQQ-UHFFFAOYSA-N"	FALSE	TRUE	3166	3	5
"599-64-4"	"DTXSID3022536"	"4-Cumylphenol"	"EPA_DSSTox"	"CC(C)(C1C=CC=CC=1)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3"	"QBDSZLJBMIMQRS-UHFFFAOYSA-N"	FALSE	FALSE	1770	3	4
"599-79-1"	"DTXSID0021256"	"Sulfasalazine"	"EPA_DSSTox"	"OC(=O)C1=CC(=CC=C1O)N=NC1C=CC(=CC=1)S(=O)(=O)NC1C=CC=CN=1"	"?"	"InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)"	"NCEXYHBECQHGNR-UHFFFAOYSA-N"	FALSE	TRUE	15600	4	5
"59937-28-9"	"DTXSID7046463"	"Malotilate"	"EPA_DSSTox"	"CC(C)OC(=O)C(=C1SC=CS1)C(=O)OC(C)C"	"?"	"InChI=1S/C12H16O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h5-8H,1-4H3"	"YPIQVCUJEKAZCP-UHFFFAOYSA-N"	FALSE	TRUE	2065	3	5
"59939-17-2"	NA	NA	"Public_CrossChecked"	"CC(=NC1=C(I)C=C(I)C(=C1I)C(=O)NCC(C)C(O)=O)N1CCOCC1"	"[Na+]"	"InChI=1S/C17H20I3N3O4/c1-9(17(25)26)8-21-16(24)13-11(18)7-12(19)15(14(13)20)22-10(2)23-3-5-27-6-4-23/h7,9H,3-6,8H2,1-2H3,(H,21,24)(H,25,26)"	"OUMSIYHSIIRHKR-UHFFFAOYSA-N"	FALSE	TRUE	7000	4	5
"5994-61-6"	"DTXSID3027611"	"Glycine, N-(carboxymethyl)-N-(phosphonomethyl)-"	"EPA_DSSTox"	"OP(O)(=O)CN(CC(O)=O)CC(O)=O"	"?"	"InChI=1S/C5H10NO7P/c7-4(8)1-6(2-5(9)10)3-14(11,12)13/h1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)"	"AZIHIQIVLANVKD-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"59997-51-2"	"DTXSID6069375"	"Pentanenitrile, 4,4-dimethyl-3-oxo-"	"EPA_DSSTox"	"CC(C)(C)C(=O)CC#N"	"?"	"InChI=1S/C7H11NO/c1-7(2,3)6(9)4-5-8/h4H2,1-3H3"	"MXZMACXOMZKYHJ-UHFFFAOYSA-N"	FALSE	FALSE	283	2	3
"60-01-5"	"DTXSID4052267"	"Glycerol tributyrate"	"EPA_DSSTox"	"CCCC(=O)OC(OC(=O)CCC)OC(=O)CCC"	"?"	"InChI=1S/C13H22O6/c1-4-7-10(14)17-13(18-11(15)8-5-2)19-12(16)9-6-3/h13H,4-9H2,1-3H3"	"QNKPSNMYTQSHGF-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"60-11-7"	"DTXSID5020491"	"4-(Dimethylamino)azobenzene"	"EPA_DSSTox"	"CN(C)C1C=CC(=CC=1)N=NC1C=CC=CC=1"	"?"	"InChI=1S/C14H15N3/c1-17(2)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h3-11H,1-2H3"	"JCYPECIVGRXBMO-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"60-24-2"	"DTXSID4026343"	"2-Mercaptoethanol"	"EPA_DSSTox"	"OCCS"	"?"	"InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2"	"DGVVWUTYPXICAM-UHFFFAOYSA-N"	FALSE	FALSE	244	2	3
"60-26-4"	"DTXSID9045053"	"N,N,N,N',N',N'-Hexamethylhexane-1,6-diaminium"	"EPA_DSSTox"	"C[N+](C)(C)CCCCCC[N+](C)(C)C"	"?"	"InChI=1S/C12H30N2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6/h7-12H2,1-6H3/q+2"	"VZJFGSRCJCXDSG-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"60-29-7"	"DTXSID3021720"	"Diethyl ether"	"EPA_DSSTox"	"CCOCC"	"?"	"InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3"	"RTZKZFJDLAIYFH-UHFFFAOYSA-N"	FALSE	FALSE	1200	3	4
"60-31-1"	"DTXSID5048978"	"Acetylcholine chloride"	"EPA_DSSTox"	"CC(=O)OCC[N+](C)(C)C"	"[Cl-]"	"InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1"	"OIPILFWXSMYKGL-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"60-54-8"	"DTXSID7023645"	"Tetracycline"	"EPA_DSSTox"	"CC1(O)C2CC3C(C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C2C(=O)C2=C1C=CC=C2O)N(C)C"	"?"	"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/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)"	"OFVLGDICTFRJMM-UHFFFAOYSA-N"	FALSE	FALSE	807	3	4
"60-56-0"	"DTXSID4020820"	"Methimazole"	"EPA_DSSTox"	"CN1C=CNC1=S"	"?"	"InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)"	"PMRYVIKBURPHAH-UHFFFAOYSA-N"	FALSE	TRUE	2250	3	5
"60-57-1"	"DTXSID9020453"	"Dieldrin"	"EPA_DSSTox"	"ClC1(Cl)C2(Cl)C3C4CC(C5OC54)C3C1(Cl)C(Cl)=C2Cl"	"?"	"InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2"	"DFBKLUNHFCTMDC-UHFFFAOYSA-N"	TRUE	FALSE	24	1	2
"60-80-0"	"DTXSID6021117"	"Phenazone"	"EPA_DSSTox"	"CN1C(C)=CC(=O)N1C1C=CC=CC=1"	"?"	"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"	FALSE	FALSE	1705	3	4
"600-00-0"	"DTXSID4060523"	"Ethyl 2-bromoisobutyrate"	"EPA_DSSTox"	"CCOC(=O)C(C)(C)Br"	"?"	"InChI=1S/C6H11BrO2/c1-4-9-5(8)6(2,3)7/h4H2,1-3H3"	"IOLQWGVDEFWYNP-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"600-14-6"	"DTXSID6051435"	"2,3-Pentanedione"	"EPA_DSSTox"	"CC(=O)C(=O)CC"	"?"	"InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3"	"TZMFJUDUGYTVRY-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"6000-43-7"	"DTXSID7064079"	"Glycine, hydrochloride"	"EPA_DSSTox"	"NCC(O)=O"	"Cl"	"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)"	"DHMQDGOQFOQNFH-UHFFFAOYSA-N"	FALSE	TRUE	3340	3	5
"6000-74-4"	"DTXSID5046647"	"Hydrocortisone sodium phosphate"	"EPA_DSSTox"	"CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COP(O)(O)=O"	"[Na+].[Na+]"	"InChI=1S/C21H31O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H2,26,27,28)"	"BGSOJVFOEQLVMH-UHFFFAOYSA-N"	FALSE	TRUE	6100	4	5
"60012-87-5"	NA	NA	"Public_CrossChecked"	"O=C1OC(CC21CC(CBr)OC2=O)CBr"	"?"	"InChI=1S/C9H10Br2O4/c10-3-5-1-9(7(12)14-5)2-6(4-11)15-8(9)13/h5-6H,1-4H2"	"FIUZOPYFJAYFQM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"60012-88-6"	NA	NA	"Public_CrossChecked"	"CCN(CC1CC2(CC(CN(CC)CC)OC2=O)C(=O)O1)CC"	"?"	"InChI=1S/C17H30N2O4/c1-5-18(6-2)11-13-9-17(15(20)22-13)10-14(23-16(17)21)12-19(7-3)8-4/h13-14H,5-12H2,1-4H3"	"ZGFKGZJYOYPZLW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"60012-89-7"	NA	NA	"Public_CrossChecked"	"O=C1OC(CC21CC(CN1CCCCC1)OC2=O)CN1CCCCC1"	"?"	"InChI=1S/C19H30N2O4/c22-17-19(11-15(24-17)13-20-7-3-1-4-8-20)12-16(25-18(19)23)14-21-9-5-2-6-10-21/h15-16H,1-14H2"	"JBKOKMWDZHOUNO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"6002-77-3"	NA	NA	"Public_CrossChecked"	"CN1CCN(CCCN2C3=CC=CC=C3SC3C=CC=CC2=3)CC1"	"C(=C/C(=O)O)\C(=O)O"	"InChI=1S/C20H25N3S/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3"	"WEYVCQFUGFRXOM-UHFFFAOYSA-N"	FALSE	FALSE	1381	3	4
"60027-80-7"	NA	NA	"Public_CrossChecked"	"COC1C=CC(C=NC2C=CC=CC=2C(O)=O)=CC=1"	"?"	"InChI=1S/C15H13NO3/c1-19-12-8-6-11(7-9-12)10-16-14-5-3-2-4-13(14)15(17)18/h2-10H,1H3,(H,17,18)"	"SZIDPRXJWMIIJF-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"60029-23-4"	NA	NA	"Public_CrossChecked"	"O=CNC(N1CCOCC1)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C7H11Cl3N2O2/c8-7(9,10)6(11-5-13)12-1-3-14-4-2-12/h5-6H,1-4H2,(H,11,13)"	"IWWKIOTVAJOMJT-UHFFFAOYSA-N"	FALSE	FALSE	990	3	4
"60045-26-3"	"DTXSID60323626"	"3-phenylpropyl benzoate"	"EPA_DSSTox"	"O=C(OCCCC1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C16H16O2/c17-16(15-11-5-2-6-12-15)18-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2"	"ONPVMQLRVWKFFL-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"60045-41-2"	NA	NA	"Public_CrossChecked"	"COC1C=CC(C=C2C(=O)N=C3C4=CC=CC=C4N=CN23)=CC=1"	"?"	"InChI=1S/C18H13N3O2/c1-23-13-8-6-12(7-9-13)10-16-18(22)20-17-14-4-2-3-5-15(14)19-11-21(16)17/h2-11H,1H3"	"IZCKLHYPJJYNKL-UHFFFAOYSA-N"	FALSE	FALSE	258	2	3
"60045-43-4"	NA	NA	"Public_CrossChecked"	"CN(C)C1C=CC(C=C2C(=O)N=C3C4=CC=CC=C4N=CN23)=CC=1"	"?"	"InChI=1S/C19H16N4O/c1-22(2)14-9-7-13(8-10-14)11-17-19(24)21-18-15-5-3-4-6-16(15)20-12-23(17)18/h3-12H,1-2H3"	"ZSBXWPKZRYQRKV-UHFFFAOYSA-N"	FALSE	FALSE	355	2	4
"60045-47-8"	NA	NA	"Public_CrossChecked"	"[O-][N+](=O)C1=CC=C(C=C2C(=O)N=C3C4C=CC=CC=4N=CN32)C=C1"	"?"	"InChI=1S/C17H10N4O3/c22-17-15(9-11-5-7-12(8-6-11)21(23)24)20-10-18-14-4-2-1-3-13(14)16(20)19-17/h1-10H"	"CBPLFFKZCXHHCG-UHFFFAOYSA-N"	FALSE	FALSE	1290	3	4
"60051-79-8"	"DTXSID30208779"	"1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, m-chlorophenyl ester"	"EPA_DSSTox"	"CC1=C(CC(=O)OC2=CC(Cl)=CC=C2)C2C=C(C=CC=2N1C(=O)C1C=CC(Cl)=CC=1)OC"	"?"	"InChI=1S/C25H19Cl2NO4/c1-15-21(14-24(29)32-20-5-3-4-18(27)12-20)22-13-19(31-2)10-11-23(22)28(15)25(30)16-6-8-17(26)9-7-16/h3-13H,14H2,1-2H3"	"OSSMSYCTHUCLAK-UHFFFAOYSA-N"	FALSE	FALSE	340	2	4
"60070-44-2"	"DTXSID10208797"	"9-Methylaminopropyl-9,10-dihydro-9,10-methanoanthracene.HCl"	"EPA_DSSTox"	"CNCCCC12CC(C3C=CC=CC1=3)C1C=CC=CC2=1"	"Cl"	"InChI=1S/C19H21N/c1-20-12-6-11-19-13-16(14-7-2-4-9-17(14)19)15-8-3-5-10-18(15)19/h2-5,7-10,16,20H,6,11-13H2,1H3"	"GNHHEQNIAAPGJW-UHFFFAOYSA-N"	FALSE	FALSE	1320	3	4
"60086-22-8"	"DTXSID30208830"	"Clopipazan mesylate"	"EPA_DSSTox"	"CN1CCC(CC1)=C1C2C=CC=CC=2OC2C=CC(Cl)=CC=21"	"S(O)(=O)(=O)C"	"InChI=1S/C19H18ClNO/c1-21-10-8-13(9-11-21)19-15-4-2-3-5-17(15)22-18-7-6-14(20)12-16(18)19/h2-7,12H,8-11H2,1H3"	"QUXRAOQDUJFWIA-UHFFFAOYSA-N"	FALSE	FALSE	319	2	4
"6009-67-2"	NA	NA	"Public_CrossChecked"	"CCN(CCC1(C(=O)OC2C=CC=CC1=2)C1C=CC=CC=1)CC"	"[Cl-]"	"InChI=1S/C20H23NO2/c1-3-21(4-2)15-14-20(16-10-6-5-7-11-16)17-12-8-9-13-18(17)23-19(20)22/h5-13H,3-4,14-15H2,1-2H3"	"HPITVGRITATAFY-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"60090-47-3"	"DTXSID6073576"	"Acetamide, N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-hydroxy-"	"EPA_DSSTox"	"CC1=CC=CC(CC)=C1N(COCC)C(=O)CO"	"?"	"InChI=1S/C14H21NO3/c1-4-12-8-6-7-11(3)14(12)15(10-18-5-2)13(17)9-16/h6-8,16H,4-5,9-10H2,1-3H3"	"HMHFIHGLTXUWDR-UHFFFAOYSA-N"	FALSE	TRUE	2400	3	5
"601-77-4"	"DTXSID20208844"	"Diisopropylnitrosamine"	"EPA_DSSTox"	"CC(C)N(N=O)C(C)C"	"?"	"InChI=1S/C6H14N2O/c1-5(2)8(7-9)6(3)4/h5-6H,1-4H3"	"AUIKJTGFPFLMFP-UHFFFAOYSA-N"	FALSE	FALSE	850	3	4
"60111-54-8"	"DTXSID6074629"	"Trisiloxane, 1,5-diethenyl-3,3-bis[(ethenyldimethylsilyl)oxy]-1,1,5,5-tetramethyl-"	"EPA_DSSTox"	"C[Si](C)(C=C)O[Si](O[Si](C)(C)C=C)(O[Si](C)(C)C=C)O[Si](C)(C)C=C"	"?"	"InChI=1S/C16H36O4Si5/c1-13-21(5,6)17-25(18-22(7,8)14-2,19-23(9,10)15-3)20-24(11,12)16-4/h13-16H,1-4H2,5-12H3"	"JMTMWSZLPHDWBQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"6012-83-5"	"DTXSID90208871"	"Etoxinol"	"EPA_DSSTox"	"CCOCC(O)(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C16H16Cl2O2/c1-2-20-11-16(19,12-3-7-14(17)8-4-12)13-5-9-15(18)10-6-13/h3-10,19H,2,11H2,1H3"	"CPZLRDXKLHKMQX-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"6012-87-9"	"DTXSID50208872"	"Ethyl dicapthon"	"EPA_DSSTox"	"CCOP(=S)(OC1C=CC(=CC=1Cl)[N+]([O-])=O)OCC"	"?"	"InChI=1S/C10H13ClNO5PS/c1-3-15-18(19,16-4-2)17-10-6-5-8(12(13)14)7-9(10)11/h5-7H,3-4H2,1-2H3"	"DHZFLGHMWUHWQO-UHFFFAOYSA-N"	TRUE	FALSE	10	1	2
"6012-97-1"	"DTXSID5042451"	"Tetrachlorothiophene"	"EPA_DSSTox"	"ClC1=C(Cl)SC(Cl)=C1Cl"	"?"	"InChI=1S/C4Cl4S/c5-1-2(6)4(8)9-3(1)7"	"WZXXZHONLFRKGG-UHFFFAOYSA-N"	FALSE	FALSE	70	2	3
"6013-05-4"	NA	NA	"Public_CrossChecked"	"N#CC(=CC1=CC=C(Cl)C=C1Cl)C(O)=O"	"?"	"InChI=1S/C10H5Cl2NO2/c11-8-2-1-6(9(12)4-8)3-7(5-13)10(14)15/h1-4H,(H,14,15)"	"KVTSTCHYBUYVBA-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"60142-95-2"	"DTXSID80208880"	"Gabapentin hydrochloride"	"EPA_DSSTox"	"NCC1(CC(O)=O)CCCCC1"	"Cl"	"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"	FALSE	TRUE	NA	3	5
"60168-88-9"	"DTXSID2032390"	"Fenarimol"	"EPA_DSSTox"	"OC(C1C=CC=CC=1Cl)(C1C=CC(Cl)=CC=1)C1C=NC=NC=1"	"?"	"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"	FALSE	TRUE	2500	3	5
"60207-31-0"	"DTXSID3041613"	"Azaconazole"	"EPA_DSSTox"	"ClC1C=C(Cl)C(=CC=1)C1(CN2C=NC=N2)OCCO1"	"?"	"InChI=1S/C12H11Cl2N3O2/c13-9-1-2-10(11(14)5-9)12(18-3-4-19-12)6-17-8-15-7-16-17/h1-2,5,7-8H,3-4,6H2"	"AKNQMEBLVAMSNZ-UHFFFAOYSA-N"	FALSE	FALSE	308	2	4
"60207-90-1"	"DTXSID8024280"	"Propiconazole"	"EPA_DSSTox"	"CCCC1COC(CN2C=NC=N2)(O1)C1C=CC(Cl)=CC=1Cl"	"?"	"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"	FALSE	FALSE	1500	3	4
"60244-60-2"	"DTXSID00208988"	"Phosphorothioic acid, O-(1,6-dihydro-5-methoxy-1-methyl-6-oxo-4-pyridazinyl) O,O-diethyl ester"	"EPA_DSSTox"	"COC1C(=O)N(C)N=CC=1OP(=S)(OCC)OCC"	"?"	"InChI=1S/C10H17N2O5PS/c1-5-15-18(19,16-6-2)17-8-7-11-12(3)10(13)9(8)14-4/h7H,5-6H2,1-4H3"	"REAXPEWHSNBHEW-UHFFFAOYSA-N"	TRUE	FALSE	2.5	1	1
"60244-63-5"	"DTXSID60208989"	"Phosphoric acid, 1,6-dihydro-5-methoxy-1-methyl-6-oxo-4-pyridazinyl dipropyl ester"	"EPA_DSSTox"	"COC1=C(C=NN(C)C1=O)OP(=O)(OCCC)OCCC"	"?"	"InChI=1S/C12H21N2O6P/c1-5-7-18-21(16,19-8-6-2)20-10-9-13-14(3)12(15)11(10)17-4/h9H,5-8H2,1-4H3"	"FCOOVQDGAWLLED-UHFFFAOYSA-N"	TRUE	FALSE	15	1	2
"60244-66-8"	"DTXSID70208990"	"Phosphoric acid, 1,6-dihydro-5-methoxy-1-methyl-6-oxo-4-pyridazinyl bis(1-methylethyl) ester"	"EPA_DSSTox"	"COC1=C(C=NN(C)C1=O)OP(=O)(OC(C)C)OC(C)C"	"?"	"InChI=1S/C12H21N2O6P/c1-8(2)18-21(16,19-9(3)4)20-10-7-13-14(5)12(15)11(10)17-6/h7-9H,1-6H3"	"WHADGNQZMYSIDW-UHFFFAOYSA-N"	TRUE	FALSE	1.9	1	1
"60244-69-1"	"DTXSID90208992"	"Phosphoric acid, bis(2-methylpropyl) 1,6-dihydro-5-methoxy-1-methyl-6-oxo-4-pyridazinyl ester"	"EPA_DSSTox"	"COC1=C(C=NNC1=O)OP(=O)(OCC(C)C)OCC(C)C"	"?"	"InChI=1S/C13H23N2O6P/c1-9(2)7-19-22(17,20-8-10(3)4)21-11-6-14-15-13(16)12(11)18-5/h6,9-10H,7-8H2,1-5H3,(H,15,16)"	"JVRGLFZUQMAVEA-UHFFFAOYSA-N"	TRUE	FALSE	36	1	2
"60244-70-4"	"DTXSID50208993"	"Phosphorothioic acid, O,O-bis(2-methylpropyl) O-(1,6-dihydro-5-methoxy-1-methyl-6-oxo-4-pyridazinyl) ester"	"EPA_DSSTox"	"COC1C(=O)N(C)N=CC=1OP(=S)(OCC(C)C)OCC(C)C"	"?"	"InChI=1S/C14H25N2O5PS/c1-10(2)8-19-22(23,20-9-11(3)4)21-12-7-15-16(5)14(17)13(12)18-6/h7,10-11H,8-9H2,1-6H3"	"KHXBZLLVTWGRPU-UHFFFAOYSA-N"	FALSE	FALSE	135	2	3
"60270-84-0"	"DTXSID50209026"	"Benzoic acid, 2-benzoyl-5-ethyl-"	"EPA_DSSTox"	"CCC1=CC(C(O)=O)=C(C=C1)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C16H14O3/c1-2-11-8-9-13(14(10-11)16(18)19)15(17)12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,18,19)"	"NWPAKHVMGCSGID-UHFFFAOYSA-N"	FALSE	TRUE	4450	3	5
"6029-54-5"	"DTXSID10209042"	"Phenol 85"	"EPA_DSSTox"	"CC(C)(C)C1=CC(CN2CCN(CC3=CC(=C(O)C(=C3)C(C)(C)C)C(C)(C)C)CC2)=CC(=C1O)C(C)(C)C"	"?"	"InChI=1S/C34H54N2O2/c1-31(2,3)25-17-23(18-26(29(25)37)32(4,5)6)21-35-13-15-36(16-14-35)22-24-19-27(33(7,8)9)30(38)28(20-24)34(10,11)12/h17-20,37-38H,13-16,21-22H2,1-12H3"	"BBGJFAYGMNGEIW-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"603-00-9"	"DTXSID5023536"	"Proxyphylline"	"EPA_DSSTox"	"CC(O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C"	"?"	"InChI=1S/C10H14N4O3/c1-6(15)4-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5-6,15H,4H2,1-3H3"	"KYHQZNGJUGFTGR-UHFFFAOYSA-N"	FALSE	FALSE	460	2	4
"603-34-9"	"DTXSID4022076"	"Triphenylamine"	"EPA_DSSTox"	"C1=CC=CC=C1N(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C18H15N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H"	"ODHXBMXNKOYIBV-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"603-35-0"	"DTXSID5026251"	"Triphenylphosphine"	"EPA_DSSTox"	"C1=CC=CC=C1P(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H"	"RIOQSEWOXXDEQQ-UHFFFAOYSA-N"	FALSE	FALSE	700	3	4
"603-41-8"	"DTXSID20209053"	"Dihydroxydiphenyl-pyridyl methane"	"EPA_DSSTox"	"OC1C=CC(=CC=1)C(C1C=CC=CN=1)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C18H15NO2/c20-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(21)11-7-14/h1-12,18,20-21H"	"LJROKJGQSPMTKB-UHFFFAOYSA-N"	FALSE	TRUE	8550	4	5
"60312-67-6"	NA	NA	"Public_CrossChecked"	"OC1=C(OC2=CC=CC=C21)C1C=CC=CC=1"	"?"	"InChI=1S/C14H10O2/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9,15H"	"QYSPXFAQSGSHON-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"6032-29-7"	"DTXSID3052721"	"Pentan-2-ol"	"EPA_DSSTox"	"CCCC(C)O"	"?"	"InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3"	"JYVLIDXNZAXMDK-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"60348-77-8"	"DTXSID70209109"	"5,5-Bis(4-hydroxyphenyl)hydantoin"	"EPA_DSSTox"	"OC1C=CC(=CC=1)C1(NC(=O)NC1=O)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C15H12N2O4/c18-11-5-1-9(2-6-11)15(13(20)16-14(21)17-15)10-3-7-12(19)8-4-10/h1-8,18-19H,(H2,16,17,20,21)"	"GBLWJPOZRJSBFQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"60364-26-3"	NA	NA	"Public_CrossChecked"	"CC=C(C(C)C)C(=O)NC(N)=O"	"?"	"InChI=1S/C8H14N2O2/c1-4-6(5(2)3)7(11)10-8(9)12/h4-5H,1-3H3,(H3,9,10,11,12)"	"JWLVVNRQYDFQGA-UHFFFAOYSA-N"	FALSE	TRUE	9000	4	5
"604-75-1"	"DTXSID1021087"	"Oxazepam"	"EPA_DSSTox"	"OC1N=C(C2=CC(Cl)=CC=C2NC1=O)C1C=CC=CC=1"	"?"	"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"	FALSE	TRUE	5001	4	5
"60439-52-3"	"DTXSID10209183"	"A 22700"	"EPA_DSSTox"	"CNC1=C(Cl)C=C(C=C1Cl)C(=O)NC1CC1"	"?"	"InChI=1S/C11H12Cl2N2O/c1-14-10-8(12)4-6(5-9(10)13)11(16)15-7-2-3-7/h4-5,7,14H,2-3H2,1H3,(H,15,16)"	"YYVJXCMEJLMKHX-UHFFFAOYSA-N"	FALSE	FALSE	262	2	3
"60479-97-2"	NA	NA	"Public_CrossChecked"	"CN(C)CCCN1C2C=C(C=CC=2SC2C=CC=CC1=2)C(=O)CCC"	"C(=C/C(=O)O)/C(=O)O"	"InChI=1S/C21H26N2OS/c1-4-8-19(24)16-11-12-21-18(15-16)23(14-7-13-22(2)3)17-9-5-6-10-20(17)25-21/h5-6,9-12,15H,4,7-8,13-14H2,1-3H3"	"GRVZGPLWLJJPKF-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"6048-06-2"	NA	NA	"Public_CrossChecked"	"CCOC(=O)C=CC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C11H11ClO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8H,2H2,1H3"	"MHZFMMSRIDAQIB-UHFFFAOYSA-N"	FALSE	FALSE	957	3	4
"605-50-5"	"DTXSID80209236"	"Isoamyl phthalate"	"EPA_DSSTox"	"CC(C)CCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)C"	"?"	"InChI=1S/C18H26O4/c1-13(2)9-11-21-17(19)15-7-5-6-8-16(15)18(20)22-12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3"	"JANBFCARANRIKJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"60525-15-7"	"DTXSID30110045"	"Zimelidine dihydrochloride"	"EPA_DSSTox"	"CN(C)CC=C(C1=CN=CC=C1)C1C=CC(Br)=CC=1"	"Cl.Cl"	"InChI=1S/C16H17BrN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3"	"OYPPVKRFBIWMSX-UHFFFAOYSA-N"	FALSE	FALSE	844	3	4
"6054-99-5"	"DTXSID0064098"	"Benzoic acid, 2-hydroxy-5-[(4-sulfophenyl)azo]-, disodium salt"	"EPA_DSSTox"	"OC(=O)C1C=C(C=CC=1O)N=NC1C=CC(=CC=1)S(O)(=O)=O"	"[Na+].[Na+]"	"InChI=1S/C13H10N2O6S/c16-12-6-3-9(7-11(12)13(17)18)15-14-8-1-4-10(5-2-8)22(19,20)21/h1-7,16H,(H,17,18)(H,19,20,21)"	"MXCDRFGKHNFKIP-UHFFFAOYSA-N"	FALSE	TRUE	14000	4	5
"6055-06-7"	NA	NA	"Public_CrossChecked"	"CN1CCC23C4OC5=C2C(CC1C3C=CC4O)=CC=C5O"	"Cl"	"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"	FALSE	FALSE	335	2	4
"6055-19-2"	"DTXSID6024888"	"Cyclophosphamide monohydrate"	"EPA_DSSTox"	"O=P1(NCCCO1)N(CCCl)CCCl"	"O"	"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"	FALSE	FALSE	94	2	3
"6055-48-7"	NA	NA	"Public_CrossChecked"	"CC1C=CC=CC=1OCC(COC(O)C(Cl)(Cl)Cl)OC(O)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C14H16Cl6O5/c1-8-4-2-3-5-10(8)23-6-9(25-12(22)14(18,19)20)7-24-11(21)13(15,16)17/h2-5,9,11-12,21-22H,6-7H2,1H3"	"IPVVZYZTTKHXKK-UHFFFAOYSA-N"	FALSE	FALSE	880	3	4
"60559-94-6"	"DTXSID80209332"	"N'-cyano-N-(3-pyridyl)-N''-(t-butyl)guanidine"	"EPA_DSSTox"	"CC(C)(C)/N=C(\NC#N)/NC1=CN=CC=C1"	"?"	"InChI=1S/C11H15N5/c1-11(2,3)16-10(14-8-12)15-9-5-4-6-13-7-9/h4-7H,1-3H3,(H2,14,15,16)"	"TXXOFXVEUPZZHB-UHFFFAOYSA-N"	FALSE	FALSE	278	2	3
"60559-98-0"	"DTXSID60209335"	"N-cyano-N'-(1,1-dimethylpropyl)-N''-(3-pyridinyl)guanidine"	"EPA_DSSTox"	"CCC(C)(C)/N=C(\NC#N)/NC1=CN=CC=C1"	"?"	"InChI=1S/C12H17N5/c1-4-12(2,3)17-11(15-9-13)16-10-6-5-7-14-8-10/h5-8H,4H2,1-3H3,(H2,15,16,17)"	"HKZNADVVGXKQDL-UHFFFAOYSA-N"	TRUE	FALSE	14	1	2
"6056-11-7"	NA	NA	"Public_CrossChecked"	"O=C(OCCOCCN1CCCCC1)N1C2=NC=CC=C2SC2C=CC=CC1=2"	"Cl"	"InChI=1S/C21H25N3O3S/c25-21(27-16-15-26-14-13-23-11-4-1-5-12-23)24-17-7-2-3-8-18(17)28-19-9-6-10-22-20(19)24/h2-3,6-10H,1,4-5,11-16H2"	"DTVJXCOMJLLMAK-UHFFFAOYSA-N"	FALSE	FALSE	530	3	4
"60560-33-0"	"DTXSID7048249"	"Pinacidil"	"EPA_DSSTox"	"CC(N/C(/NC1C=CN=CC=1)=N\C#N)C(C)(C)C"	"?"	"InChI=1S/C13H19N5/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11/h5-8,10H,1-4H3,(H2,15,16,17,18)"	"IVVNZDGDKPTYHK-UHFFFAOYSA-N"	FALSE	FALSE	210	2	3
"60563-10-2"	NA	NA	"Public_CrossChecked"	"OCCN1CCN(CCC1)CCCN1C2C=CC=CC=2C=CC2C=CC=CC1=2"	"C(=C/C(=O)O)\C(=O)O"	"InChI=1S/C24H31N3O/c28-20-19-26-14-5-13-25(17-18-26)15-6-16-27-23-9-3-1-7-21(23)11-12-22-8-2-4-10-24(22)27/h1-4,7-12,28H,5-6,13-20H2"	"AXJPNVUUDXTSOL-UHFFFAOYSA-N"	FALSE	TRUE	2410	3	5
"60568-05-0"	"DTXSID2024119"	"Furmecyclox"	"EPA_DSSTox"	"CON(C1CCCCC1)C(=O)C1C=C(C)OC=1C"	"?"	"InChI=1S/C14H21NO3/c1-10-9-13(11(2)18-10)14(16)15(17-3)12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3"	"QTDRLOKFLJJHTG-UHFFFAOYSA-N"	FALSE	TRUE	3780	3	5
"60583-65-5"	NA	NA	"Public_CrossChecked"	"CC(=O)C1(O)CCC(CC1)C1C=CC=CC=1"	"?"	"InChI=1S/C14H18O2/c1-11(15)14(16)9-7-13(8-10-14)12-5-3-2-4-6-12/h2-6,13,16H,7-10H2,1H3"	"RXZJKNHFAUFBHI-UHFFFAOYSA-N"	FALSE	TRUE	8000	4	5
"606-20-2"	"DTXSID5020528"	"2,6-Dinitrotoluene"	"EPA_DSSTox"	"CC1C(=CC=CC=1[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3"	"XTRDKALNCIHHNI-UHFFFAOYSA-N"	FALSE	FALSE	177	2	3
"606-45-1"	"DTXSID5047087"	"Methyl 2-methoxybenzoate"	"EPA_DSSTox"	"COC(=O)C1C=CC=CC=1OC"	"?"	"InChI=1S/C9H10O3/c1-11-8-6-4-3-5-7(8)9(10)12-2/h3-6H,1-2H3"	"PFYHAAAQPNMZHO-UHFFFAOYSA-N"	FALSE	TRUE	3800	3	5
"60607-34-3"	"DTXSID4045181"	"Oxatomide"	"EPA_DSSTox"	"O=C1NC2C=CC=CC=2N1CCCN1CCN(CC1)C(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C27H30N4O/c32-27-28-24-14-7-8-15-25(24)31(27)17-9-16-29-18-20-30(21-19-29)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,26H,9,16-21H2,(H,28,32)"	"BAINIUMDFURPJM-UHFFFAOYSA-N"	FALSE	FALSE	1410	3	4
"6062-26-6"	"DTXSID2034702"	"MCPB-sodium"	"EPA_DSSTox"	"CC1C=C(Cl)C=CC=1OCCCC(O)=O"	"[Na+]"	"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"	FALSE	FALSE	700	3	4
"60628-96-8"	"DTXSID9045631"	"Bifonazole"	"EPA_DSSTox"	"C1=NC=CN1C(C1C=CC=CC=1)C1C=CC(=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H"	"OCAPBUJLXMYKEJ-UHFFFAOYSA-N"	FALSE	FALSE	1463	3	4
"60634-59-5"	"DTXSID70209442"	"Succinic acid, (4-ethoxy-1-naphthylcarbonylmethyl) ester"	"EPA_DSSTox"	"CCOC1=CC=C(C2=CC=CC=C21)C(=O)COC(=O)CCC(O)=O"	"?"	"InChI=1S/C18H18O6/c1-2-23-16-8-7-13(12-5-3-4-6-14(12)16)15(19)11-24-18(22)10-9-17(20)21/h3-8H,2,9-11H2,1H3,(H,20,21)"	"WCGDILHLLCSION-UHFFFAOYSA-N"	FALSE	TRUE	3500	3	5
"60634-63-1"	NA	NA	"Public_CrossChecked"	"NC(=O)OC(CC1C=CC=CC=1)CCl"	"?"	"InChI=1S/C10H12ClNO2/c11-7-9(14-10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,13)"	"FIVDTHQNVVFVLG-UHFFFAOYSA-N"	FALSE	FALSE	490	2	4
"60634-70-0"	NA	NA	"Public_CrossChecked"	"CN1CCCCC1C(CO)(C1C=CC=CC=1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C20H25NO/c1-21-15-9-8-14-19(21)20(16-22,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,19,22H,8-9,14-16H2,1H3"	"KZESLASNYUFNBQ-UHFFFAOYSA-N"	FALSE	FALSE	410	2	4
"6064-83-1"	"DTXSID9045394"	"Salicylic acid dihydrogen phosphate"	"EPA_DSSTox"	"OC(=O)C1C=CC=CC=1OP(O)(O)=O"	"?"	"InChI=1S/C7H7O6P/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h1-4H,(H,8,9)(H2,10,11,12)"	"FFKUDWZICMJVPA-UHFFFAOYSA-N"	FALSE	FALSE	1104	3	4
"60643-86-9"	"DTXSID4041153"	"Vigabatrin"	"EPA_DSSTox"	"C=CC(N)CCC(O)=O"	"?"	"InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)"	"PJDFLNIOAUIZSL-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"60653-25-0"	NA	NA	"Public_CrossChecked"	"OC(=O)CC(O)C1=CC=C(O1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C13H11ClO4/c14-9-3-1-8(2-4-9)11-5-6-12(18-11)10(15)7-13(16)17/h1-6,10,15H,7H2,(H,16,17)"	"YLJRTDTWWRXOFG-UHFFFAOYSA-N"	FALSE	TRUE	2460	3	5
"6066-49-5"	"DTXSID50863687"	"1(3H)-Isobenzofuranone, 3-butyl-"	"EPA_DSSTox"	"CCCCC1OC(=O)C2=CC=CC=C21"	"?"	"InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3"	"HJXMNVQARNZTEE-UHFFFAOYSA-N"	FALSE	TRUE	2450	3	5
"60662-16-0"	"DTXSID20209472"	"Binedaline"	"EPA_DSSTox"	"CN(C)CCN(C)N1C=C(C2=CC=CC=C12)C1C=CC=CC=1"	"?"	"InChI=1S/C19H23N3/c1-20(2)13-14-21(3)22-15-18(16-9-5-4-6-10-16)17-11-7-8-12-19(17)22/h4-12,15H,13-14H2,1-3H3"	"SXYFFMXPDDGOEK-UHFFFAOYSA-N"	FALSE	FALSE	1160	3	4
"60676-84-8"	"DTXSID0048890"	"1-(7-Methoxy-1,3-benzodioxol-5-yl)propan-2-amine hydrochloride"	"EPA_DSSTox"	"COC1C=C(CC(C)N)C=C2OCOC2=1"	"Cl"	"InChI=1S/C11H15NO3/c1-7(12)3-8-4-9(13-2)11-10(5-8)14-6-15-11/h4-5,7H,3,6,12H2,1-2H3"	"YQYUWUKDEVZFDB-UHFFFAOYSA-N"	FALSE	FALSE	170	2	3
"607-01-2"	"DTXSID4073207"	"Phosphine, ethyldiphenyl-"	"EPA_DSSTox"	"CCP(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C14H15P/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3"	"WUOIAOOSKMHJOV-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"607-88-5"	"DTXSID3047508"	"Salicylic acid p-tolyl ester"	"EPA_DSSTox"	"CC1C=CC(=CC=1)OC(=O)C1C=CC=CC=1O"	"?"	"InChI=1S/C14H12O3/c1-10-6-8-11(9-7-10)17-14(16)12-4-2-3-5-13(12)15/h2-9,15H,1H3"	"AMYKXJAXRJCLCV-UHFFFAOYSA-N"	FALSE	FALSE	1300	3	4
"607-91-0"	"DTXSID1025693"	"Myristicin"	"EPA_DSSTox"	"COC1C=C(CC=C)C=C2OCOC2=1"	"?"	"InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3"	"BNWJOHGLIBDBOB-UHFFFAOYSA-N"	FALSE	TRUE	4260	3	5
"6071-27-8"	NA	NA	"Public_CrossChecked"	"CCCCCCCC(O)CCO"	"?"	"InChI=1S/C10H22O2/c1-2-3-4-5-6-7-10(12)8-9-11/h10-12H,2-9H2,1H3"	"ANWMPOLHSRXCNH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"6071-32-5"	NA	NA	"Public_CrossChecked"	"CCCCCCCCC(O)CCO"	"?"	"InChI=1S/C11H24O2/c1-2-3-4-5-6-7-8-11(13)9-10-12/h11-13H,2-10H2,1H3"	"CSFUNXXUTSRHPN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"60735-64-0"	NA	NA	"Public_CrossChecked"	"CC(C(=O)C1=CC=C(C=C1)NS(C)(=O)=O)N(CC)CC"	"Cl"	"InChI=1S/C14H22N2O3S/c1-5-16(6-2)11(3)14(17)12-7-9-13(10-8-12)15-20(4,18)19/h7-11,15H,5-6H2,1-4H3"	"BMZROOFWQICRNB-UHFFFAOYSA-N"	FALSE	TRUE	2347	3	5
"60763-41-9"	"DTXSID9069429"	"1,1-Diethoxy-2-amyl-3-phenyl-2-propene"	"EPA_DSSTox"	"CCCCCC(=CC1C=CC=CC=1)C(OCC)OCC"	"?"	"InChI=1S/C18H28O2/c1-4-7-9-14-17(18(19-5-2)20-6-3)15-16-12-10-8-11-13-16/h8,10-13,15,18H,4-7,9,14H2,1-3H3"	"MPKOLWUWOADQCX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"60763-44-2"	"DTXSID60866826"	"1,6-Octadiene, 3-methoxy-3,7-dimethyl-"	"EPA_DSSTox"	"COC(C)(CCC=C(C)C)C=C"	"?"	"InChI=1S/C11H20O/c1-6-11(4,12-5)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3"	"BARWQAWUANUTNS-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"60763-63-5"	NA	NA	"Public_CrossChecked"	"CNCCCC1(C#N)C2=CC=CC=C2CCC2C=CC=CC1=2"	"[Cl-]"	"InChI=1S/C20H22N2/c1-22-14-6-13-20(15-21)18-9-4-2-7-16(18)11-12-17-8-3-5-10-19(17)20/h2-5,7-10,22H,6,11-14H2,1H3"	"NFTSCNLJKFSRED-UHFFFAOYSA-N"	FALSE	FALSE	889	3	4
"60789-89-1"	NA	NA	"Public_CrossChecked"	"CC1=CC(=NO1)C(=O)NNC(C)CC1C=CC=CC=1"	"?"	"InChI=1S/C14H17N3O2/c1-10(8-12-6-4-3-5-7-12)15-16-14(18)13-9-11(2)19-17-13/h3-7,9-10,15H,8H2,1-2H3,(H,16,18)"	"BYBUKOLWVLGTJF-UHFFFAOYSA-N"	FALSE	FALSE	89	2	3
"608-25-3"	"DTXSID0025571"	"2-Methyl-1,3-benzenediol"	"EPA_DSSTox"	"CC1C(O)=CC=CC=1O"	"?"	"InChI=1S/C7H8O2/c1-5-6(8)3-2-4-7(5)9/h2-4,8-9H,1H3"	"ZTMADXFOCUXMJE-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"608-71-9"	"DTXSID9022079"	"Pentabromophenol"	"EPA_DSSTox"	"OC1C(Br)=C(Br)C(Br)=C(Br)C=1Br"	"?"	"InChI=1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H"	"SVHOVVJFOWGYJO-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"608-73-1"	"DTXSID7020687"	"1,2,3,4,5,6-Hexachlorocyclohexane"	"EPA_DSSTox"	"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl"	"?"	"InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H"	"JLYXXMFPNIAWKQ-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"608-93-5"	"DTXSID7024247"	"Pentachlorobenzene"	"EPA_DSSTox"	"ClC1=CC(Cl)=C(Cl)C(Cl)=C1Cl"	"?"	"InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H"	"CEOCDNVZRAIOQZ-UHFFFAOYSA-N"	FALSE	FALSE	940	3	4
"6082-56-0"	"DTXSID50209662"	"3,5-Pyrazolidinedione, 1,2-diphenyl-4-propyl-"	"EPA_DSSTox"	"CCCC1C(=O)N(C2C=CC=CC=2)N(C1=O)C1C=CC=CC=1"	"?"	"InChI=1S/C18H18N2O2/c1-2-9-16-17(21)19(14-10-5-3-6-11-14)20(18(16)22)15-12-7-4-8-13-15/h3-8,10-13,16H,2,9H2,1H3"	"FFVLWIPQVZKVDU-UHFFFAOYSA-N"	FALSE	FALSE	529	3	4
"60828-78-6"	"DTXSID9049829"	"alpha-[3.5-dimethyl-1-(2-methylpropyl)hexyl]-omega-hydroxy-poly(oxy-1,2-ethandiyl)"	"EPA_DSSTox"	"CC(CC(C)C)CC(CC(C)C)OCCO"	"?"	"InChI=1S/C14H30O2/c1-11(2)8-13(5)10-14(9-12(3)4)16-7-6-15/h11-15H,6-10H2,1-5H3"	"VKKFWRYCMZBXIG-UHFFFAOYSA-N"	FALSE	TRUE	5650	4	5
"60840-87-1"	"DTXSID4042410"	"Sodium N-oleoyltaurate"	"EPA_DSSTox"	"CCCCCCCCC=CCCCCCCCC(=O)NCCS(O)(=O)=O"	"[Na+]"	"InChI=1S/C20H39NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19-26(23,24)25/h9-10H,2-8,11-19H2,1H3,(H,21,22)(H,23,24,25)"	"KOGRJTUIKPMZEJ-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"6085-94-5"	"DTXSID00209692"	"1H-1,2,4-Triazole, 1-benzyl-"	"EPA_DSSTox"	"C(C1C=CC=CC=1)N1C=NC=N1"	"?"	"InChI=1S/C9H9N3/c1-2-4-9(5-3-1)6-12-8-10-7-11-12/h1-5,7-8H,6H2"	"BNWQEHYYXTVKOF-UHFFFAOYSA-N"	FALSE	FALSE	720	3	4
"60853-38-5"	NA	NA	"Public_CrossChecked"	"COC1=CC=C(CNC2C=C(C=CC=2O)C(O)CNC(C)(C)C)C=C1"	"?"	"InChI=1S/C20H28N2O3/c1-20(2,3)22-13-19(24)15-7-10-18(23)17(11-15)21-12-14-5-8-16(25-4)9-6-14/h5-11,19,21-24H,12-13H2,1-4H3"	"CWNSARGKNRTVBY-UHFFFAOYSA-N"	FALSE	FALSE	1850	3	4
"609-15-4"	"DTXSID3049330"	"Ethyl 2-chloroacetoacetate"	"EPA_DSSTox"	"CC(=O)C(Cl)C(=O)OCC"	"?"	"InChI=1S/C6H9ClO3/c1-3-10-6(9)5(7)4(2)8/h5H,3H2,1-2H3"	"RDULEYWUGKOCMR-UHFFFAOYSA-N"	FALSE	FALSE	233	2	3
"609-20-1"	"DTXSID7020427"	"2,6-Dichloro-1,4-benzenediamine"	"EPA_DSSTox"	"NC1C(Cl)=CC(N)=CC=1Cl"	"?"	"InChI=1S/C6H6Cl2N2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,9-10H2"	"HQCHAOKWWKLXQH-UHFFFAOYSA-N"	FALSE	FALSE	700	3	4
"609-66-5"	"DTXSID3052278"	"2-Chlorobenzamide"	"EPA_DSSTox"	"NC(=O)C1C=CC=CC=1Cl"	"?"	"InChI=1S/C7H6ClNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)"	"RBGDLYUEXLWQBZ-UHFFFAOYSA-N"	FALSE	FALSE	1250	3	4
"609-99-4"	"DTXSID9060576"	"Benzoic acid, 2-hydroxy-3,5-dinitro-"	"EPA_DSSTox"	"[O-][N+](=O)C1C=C(C(O)=C(C=1)C(O)=O)[N+]([O-])=O"	"?"	"InChI=1S/C7H4N2O7/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16/h1-2,10H,(H,11,12)"	"LWFUFLREGJMOIZ-UHFFFAOYSA-N"	FALSE	FALSE	860	3	4
"6090-15-9"	"DTXSID2064109"	"5-Hepten-2-ol, 2,6-dimethyl-"	"EPA_DSSTox"	"CC(C)=CCCC(C)(C)O"	"?"	"InChI=1S/C9H18O/c1-8(2)6-5-7-9(3,4)10/h6,10H,5,7H2,1-4H3"	"URIIVOSFQJXLPT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"6091-44-7"	"DTXSID20884223"	"Piperidine, hydrochloride (1:1)"	"EPA_DSSTox"	"C1CCCCN1"	"Cl"	"InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2"	"NQRYJNQNLNOLGT-UHFFFAOYSA-N"	FALSE	FALSE	133	2	3
"60919-11-1"	NA	NA	"Public_CrossChecked"	"OC1C=CC=CC=1C1(NC(=O)NC1=O)C1C=CC=CC=1"	"?"	"InChI=1S/C15H12N2O3/c18-12-9-5-4-8-11(12)15(10-6-2-1-3-7-10)13(19)16-14(20)17-15/h1-9,18H,(H2,16,17,19,20)"	"YWVMOOVYOCAYQZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"6092-18-8"	"DTXSID2057784"	"Cycotiamine"	"EPA_DSSTox"	"CC1N=CC(CN(C=O)C(C)=C2CCOC(=O)S2)=C(N)N=1"	"?"	"InChI=1S/C13H16N4O3S/c1-8(11-3-4-20-13(19)21-11)17(7-18)6-10-5-15-9(2)16-12(10)14/h5,7H,3-4,6H2,1-2H3,(H2,14,15,16)"	"LLJDJQYGZBQFIF-UHFFFAOYSA-N"	FALSE	TRUE	7604	4	5
"60971-95-1"	NA	NA	"Public_CrossChecked"	"CCOP(=O)(OC(C1C=CC(Cl)=CC=1Cl)=C(Cl)Br)OCC"	"?"	"InChI=1S/C12H13BrCl3O4P/c1-3-18-21(17,19-4-2)20-11(12(13)16)9-6-5-8(14)7-10(9)15/h5-7H,3-4H2,1-2H3"	"BTMMEKAHNQUEDL-UHFFFAOYSA-N"	TRUE	FALSE	19.3	1	2
"61-01-8"	"DTXSID90209843"	"Methoxypromazine"	"EPA_DSSTox"	"CN(C)CCCN1C2=CC(=CC=C2SC2=CC=CC=C12)OC"	"?"	"InChI=1S/C18H22N2OS/c1-19(2)11-6-12-20-15-7-4-5-8-17(15)22-18-10-9-14(21-3)13-16(18)20/h4-5,7-10,13H,6,11-12H2,1-3H3"	"BRABPYPSZVCCLR-UHFFFAOYSA-N"	FALSE	FALSE	730	3	4
"61-25-6"	"DTXSID9025825"	"Papaverine hydrochloride"	"EPA_DSSTox"	"COC1C=C(CC2=NC=CC3C=C(OC)C(=CC=32)OC)C=CC=1OC"	"Cl"	"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3"	"XQYZDYMELSJDRZ-UHFFFAOYSA-N"	FALSE	FALSE	68.8	2	3
"61-31-4"	"DTXSID6034897"	"Sodium 1-naphthaleneacetate"	"EPA_DSSTox"	"OC(=O)CC1=CC=CC2C=CC=CC=21"	"[Na+]"	"InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)"	"PRPINYUDVPFIRX-UHFFFAOYSA-N"	FALSE	FALSE	933	3	4
"61-33-6"	"DTXSID5046934"	"Penicillin G"	"EPA_DSSTox"	"CC1(C)SC2C(NC(=O)CC3C=CC=CC=3)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"	FALSE	TRUE	8000	4	5
"61-57-4"	"DTXSID6045244"	"Niridazole"	"EPA_DSSTox"	"[O-][N+](=O)C1=CN=C(S1)N1CCNC1=O"	"?"	"InChI=1S/C6H6N4O3S/c11-5-7-1-2-9(5)6-8-3-4(14-6)10(12)13/h3H,1-2H2,(H,7,11)"	"RDXLYGJSWZYTFJ-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"61-68-7"	"DTXSID5023243"	"Mefenamic acid"	"EPA_DSSTox"	"CC1C(=CC=CC=1C)NC1C=CC=CC=1C(O)=O"	"?"	"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"	FALSE	FALSE	740	3	4
"61-73-4"	"DTXSID0023296"	"Methylene blue"	"EPA_DSSTox"	"CN(C)C1=CC2=[S+]C3C=C(C=CC=3N=C2C=C1)N(C)C"	"[Cl-]"	"InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1"	"RBTBFTRPCNLSDE-UHFFFAOYSA-N"	FALSE	FALSE	1180	3	4
"61-76-7"	"DTXSID3021142"	"Phenylephrine hydrochloride"	"EPA_DSSTox"	"CNCC(O)C1=CC(O)=CC=C1"	"Cl"	"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3"	"SONNWYBIRXJNDC-UHFFFAOYSA-N"	FALSE	FALSE	350	2	4
"61-80-3"	"DTXSID1045245"	"Zoxazolamine"	"EPA_DSSTox"	"NC1=NC2C=C(Cl)C=CC=2O1"	"?"	"InChI=1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)"	"YGCODSQDUUUKIV-UHFFFAOYSA-N"	FALSE	FALSE	782	3	4
"61-82-5"	"DTXSID0020076"	"Amitrole"	"EPA_DSSTox"	"NC1N=CNN=1"	"?"	"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)"	"KLSJWNVTNUYHDU-UHFFFAOYSA-N"	FALSE	FALSE	1100	3	4
"610-39-9"	"DTXSID8027240"	"3,4-Dinitrotoluene"	"EPA_DSSTox"	"CC1C=C(C(=CC=1)[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3"	"INYDMNPNDHRJQJ-UHFFFAOYSA-N"	FALSE	FALSE	807	3	4
"61005-12-7"	NA	NA	"Public_CrossChecked"	"CCC(C)C1C=CC=CC=1OC(N)=O"	"?"	"InChI=1S/C11H15NO2/c1-3-8(2)9-6-4-5-7-10(9)14-11(12)13/h4-8H,3H2,1-2H3,(H2,12,13)"	"QLFPSZPGHNOLSF-UHFFFAOYSA-N"	FALSE	FALSE	410	2	4
"61010-04-6"	"DTXSID10821309"	"2-Chloro-3-(hydroxymethylidene)cyclohex-1-ene-1-carbaldehyde"	"EPA_DSSTox"	"OC=C1CCCC(C=O)=C1Cl"	"?"	"InChI=1S/C8H9ClO2/c9-8-6(4-10)2-1-3-7(8)5-11/h4-5,10H,1-3H2"	"JWUQFQYYMGMPKE-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	NA
"61019-78-1"	"DTXSID7041968"	"Fenapanil"	"EPA_DSSTox"	"CCCCC(CN1C=NC=C1)(C#N)C1C=CC=CC=1"	"?"	"InChI=1S/C16H19N3/c1-2-3-9-16(12-17,13-19-11-10-18-14-19)15-7-5-4-6-8-15/h4-8,10-11,14H,2-3,9,13H2,1H3"	"OQOULEWDDRNBSG-UHFFFAOYSA-N"	FALSE	FALSE	1590	3	4
"6104-58-1"	"DTXSID7041706"	"C.I. Acid Blue 90"	"EPA_DSSTox"	"CC1C=C(C=CC=1C(=C1C=CC(C=C1C)=[N+](CC1=CC(=CC=C1)S(O)(=O)=O)CC)C1C=CC(=CC=1)NC1C=CC(=CC=1)OCC)N(CC1C=C(C=CC=1)S(O)(=O)=O)CC |c:8,16|"	"[Na+]"	"InChI=1S/C47H49N3O7S2/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56/h9-30H,6-8,31-32H2,1-5H3,(H2,51,52,53,54,55,56)/p+1"	"YVNQAIFQFWTPLQ-UHFFFAOYSA-O"	FALSE	TRUE	NA	4	5
"6106-04-3"	"DTXSID0047240"	"Sodium L-glutamate hydrate"	"EPA_DSSTox"	"NC(CCC(O)=O)C(O)=O"	"[Na+].O"	"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)"	"WHUUTDBJXJRKMK-UHFFFAOYSA-N"	FALSE	TRUE	15800	4	5
"6106-46-3"	"DTXSID70891260"	"Methylscopolamine nitrate"	"EPA_DSSTox"	"C[N+]1(C)C2CC(CC1C1OC12)OC(=O)C(CO)C1C=CC=CC=1"	"[O-][N+]([O-])=O"	"InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1"	"LZCOQTDXKCNBEE-UHFFFAOYSA-N"	FALSE	FALSE	1864	3	4
"611-06-3"	"DTXSID3024998"	"2,4-Dichloronitrobenzene"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC=C(Cl)C=C1Cl"	"?"	"InChI=1S/C6H3Cl2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H"	"QUIMTLZDMCNYGY-UHFFFAOYSA-N"	FALSE	FALSE	379	2	4
"611-07-4"	"DTXSID7060596"	"Phenol, 5-chloro-2-nitro-"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC(Cl)=CC=1O"	"?"	"InChI=1S/C6H4ClNO3/c7-4-1-2-5(8(10)11)6(9)3-4/h1-3,9H"	"MZDBQSFPAMTTIS-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"611-13-2"	"DTXSID7060598"	"2-Furancarboxylic acid, methyl ester"	"EPA_DSSTox"	"COC(=O)C1=CC=CO1"	"?"	"InChI=1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3"	"HDJLSECJEQSPKW-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"611-20-1"	"DTXSID3041661"	"2-Hydroxybenzonitrile"	"EPA_DSSTox"	"N#CC1C=CC=CC=1O"	"?"	"InChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H"	"CHZCERSEMVWNHL-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"611-75-6"	"DTXSID0045886"	"Bromhexine hydrochloride"	"EPA_DSSTox"	"CN(CC1=CC(Br)=CC(Br)=C1N)C1CCCCC1"	"Cl"	"InChI=1S/C14H20Br2N2/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17/h7-8,12H,2-6,9,17H2,1H3"	"OJGDCBLYJGHCIH-UHFFFAOYSA-N"	FALSE	TRUE	6000	4	5
"611-94-9"	"DTXSID00209995"	"4-Methoxybenzophenone"	"EPA_DSSTox"	"COC1C=CC(=CC=1)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C14H12O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10H,1H3"	"SWFHGTMLYIBPPA-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"6115-97-5"	"DTXSID80210044"	"2-Benzofurancarboxamide, 5-(piperidinomethyl)-"	"EPA_DSSTox"	"NC(=O)C1=CC2C=C(CN3CCCCC3)C=CC=2O1"	"?"	"InChI=1S/C15H18N2O2/c16-15(18)14-9-12-8-11(4-5-13(12)19-14)10-17-6-2-1-3-7-17/h4-5,8-9H,1-3,6-7,10H2,(H2,16,18)"	"HFSRAJMZYZBTDK-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"61167-10-0"	"DTXSID40210060"	"Maleic hydrazide choline salt"	"EPA_DSSTox"	"O=C1C=CC(=O)NN1"	"OCC[N+](C)(C)C"	"InChI=1S/C4H4N2O2/c7-3-1-2-4(8)6-5-3/h1-2H,(H,5,7)(H,6,8)"	"BGRDGMRNKXEXQD-UHFFFAOYSA-N"	FALSE	TRUE	10760	4	5
"61177-45-5"	"DTXSID60210067"	"Clavulanate potassium"	"EPA_DSSTox"	"OC(=O)C1C(=CCO)OC2CC(=O)N21"	"[K+]"	"InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)"	"HZZVJAQRINQKSD-UHFFFAOYSA-N"	FALSE	TRUE	7936	4	5
"6119-96-6"	"DTXSID70210078"	"R 1448"	"EPA_DSSTox"	"CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2C1=O"	"?"	"InChI=1S/C13H16NO4PS2/c1-3-17-19(20,18-4-2)21-9-14-12(15)10-7-5-6-8-11(10)13(14)16/h5-8H,3-4,9H2,1-2H3"	"KTZJVUBSCYTBMB-UHFFFAOYSA-N"	TRUE	FALSE	43	1	2
"612-83-9"	"DTXSID1020433"	"3,3'-Dichlorobenzidine dihydrochloride"	"EPA_DSSTox"	"NC1C=CC(=CC=1Cl)C1=CC(Cl)=C(N)C=C1"	"Cl.Cl"	"InChI=1S/C12H10Cl2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2"	"HUWXDEQWWKGHRV-UHFFFAOYSA-N"	FALSE	TRUE	3820	3	5
"61213-25-0"	"DTXSID0041987"	"Flurochloridone"	"EPA_DSSTox"	"O=C1C(Cl)C(CN1C1=CC(=CC=C1)C(F)(F)F)CCl"	"?"	"InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2"	"OQZCSNDVOWYALR-UHFFFAOYSA-N"	FALSE	TRUE	3650	3	5
"61260-55-7"	"DTXSID8028050"	"1,6-Hexanediamine, N,N'-bis(2,2,6,6-tetramethyl-4-piperidinyl)-"	"EPA_DSSTox"	"CC1(C)CC(CC(C)(C)N1)NCCCCCCNC1CC(C)(C)NC(C)(C)C1"	"?"	"InChI=1S/C24H50N4/c1-21(2)15-19(16-22(3,4)27-21)25-13-11-9-10-12-14-26-20-17-23(5,6)28-24(7,8)18-20/h19-20,25-28H,9-18H2,1-8H3"	"UKJARPDLRWBRAX-UHFFFAOYSA-N"	FALSE	FALSE	820	3	4
"61262-53-1"	"DTXSID60886428"	"Benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis[2,3,4,5,6-pentabromo-"	"EPA_DSSTox"	"BrC1C(OCCOC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)=C(Br)C(Br)=C(Br)C=1Br"	"?"	"InChI=1S/C14H4Br10O2/c15-3-5(17)9(21)13(10(22)6(3)18)25-1-2-26-14-11(23)7(19)4(16)8(20)12(14)24/h1-2H2"	"JJEPQBZQAGCZTH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"61276-16-2"	NA	NA	"Public_CrossChecked"	"CC1OC(OC2C(OC(=O)C=CC3=CC(O)=C(O)C=C3)C(CO)OC3OCC(OC23)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O"	"?"	"InChI=1S/C29H34O15/c1-12-22(36)23(37)24(38)28(40-12)44-26-25(43-21(35)7-3-13-2-5-15(31)17(33)8-13)19(10-30)42-29-27(26)41-20(11-39-29)14-4-6-16(32)18(34)9-14/h2-9,12,19-20,22-34,36-38H,10-11H2,1H3"	"FPOYEEKZOOLVJA-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"613-53-6"	"DTXSID7060623"	"Quinoline, 2-(tribromomethyl)-"	"EPA_DSSTox"	"BrC(Br)(Br)C1C=CC2C=CC=CC=2N=1"	"?"	"InChI=1S/C10H6Br3N/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h1-6H"	"UDYYQHILRSDDMP-UHFFFAOYSA-N"	FALSE	TRUE	6769	4	5
"613-62-7"	"DTXSID80210201"	"Benzyl 2-naphthyl ether"	"EPA_DSSTox"	"C(OC1C=C2C=CC=CC2=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C17H14O/c1-2-6-14(7-3-1)13-18-17-11-10-15-8-4-5-9-16(15)12-17/h1-12H,13H2"	"WLTCCDHHWYAMCG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"61318-91-0"	"DTXSID2045490"	"Sulconazole nitrate"	"EPA_DSSTox"	"ClC1=CC(Cl)=C(C=C1)C(CN1C=NC=C1)SCC1C=CC(Cl)=CC=1"	"[N+]([O-])(=O)O"	"InChI=1S/C18H15Cl3N2S/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2"	"AFNXATANNDIXLG-UHFFFAOYSA-N"	FALSE	FALSE	1741	3	4
"6132-17-8"	"DTXSID00210223"	"Phosphoric acid, diethyl p-(methylsulfonyl)phenyl ester"	"EPA_DSSTox"	"CS(=O)(=O)C1C=CC(=CC=1)OP(=O)(OCC)OCC"	"?"	"InChI=1S/C11H17O6PS/c1-4-15-18(12,16-5-2)17-10-6-8-11(9-7-10)19(3,13)14/h6-9H,4-5H2,1-3H3"	"KUBUBYBFFRVFHD-UHFFFAOYSA-N"	TRUE	FALSE	5.012	1	2
"61320-65-8"	"DTXSID90344440"	"methyl 5-amino-4-cyano-3-methylthiophene-2-carboxylate"	"EPA_DSSTox"	"CC1C(C#N)=C(N)SC=1C(=O)OC"	"?"	"InChI=1S/C8H8N2O2S/c1-4-5(3-9)7(10)13-6(4)8(11)12-2/h10H2,1-2H3"	"PDDIXJQTRLVRCG-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"61336-70-7"	"DTXSID2022599"	"Amoxicillin hydrate (1:3)"	"EPA_DSSTox"	"CC1(C)SC2C(NC(=O)C(N)C3C=CC(O)=CC=3)C(=O)N2C1C(O)=O"	"O.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"	FALSE	TRUE	NA	4	5
"61358-25-6"	"DTXSID20552278"	"Bis(4-tert-butylphenyl)iodanium hexafluorophosphate"	"EPA_DSSTox"	"CC(C)(C)C1C=CC(=CC=1)[I+]C1C=CC(=CC=1)C(C)(C)C"	"[P-](F)(F)(F)(F)(F)F"	"InChI=1S/C20H26I/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6/h7-14H,1-6H3/q+1"	"DNFSNYQTQMVTOK-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"61361-38-4"	NA	NA	"Public_CrossChecked"	"C1C(C(C(CC1N1CCCC1)C1=CC=CC=C1)C1C=CC=CN=1)C1=CC=CC=C1"	"?"	"InChI=1S/C27H30N2/c1-3-11-21(12-4-1)24-19-23(29-17-9-10-18-29)20-25(22-13-5-2-6-14-22)27(24)26-15-7-8-16-28-26/h1-8,11-16,23-25,27H,9-10,17-20H2"	"FJMWFGCDQGHLRP-UHFFFAOYSA-N"	FALSE	FALSE	479	2	4
"61361-58-8"	"DTXSID70210275"	"Benzylamine, N-(2-bromoethyl)-2-methoxy-5-nitro-"	"EPA_DSSTox"	"COC1=CC=C(C=C1CNCCBr)[N+]([O-])=O"	"?"	"InChI=1S/C10H13BrN2O3/c1-16-10-3-2-9(13(14)15)6-8(10)7-12-5-4-11/h2-3,6,12H,4-5,7H2,1H3"	"OSWYWBCJIVTSBT-UHFFFAOYSA-N"	TRUE	FALSE	20	1	2
"61361-59-9"	"DTXSID30210276"	"Benzylamine, N-(2-bromoethyl)-2-ethoxy-5-nitro-"	"EPA_DSSTox"	"CCOC1=CC=C(C=C1CNCCBr)[N+]([O-])=O"	"?"	"InChI=1S/C11H15BrN2O3/c1-2-17-11-4-3-10(14(15)16)7-9(11)8-13-6-5-12/h3-4,7,13H,2,5-6,8H2,1H3"	"YDSQNVQJZNBVNQ-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"61361-60-2"	"DTXSID90210277"	"Phenol, 2-(((2-hydroxyethyl)amino)methyl)-4-nitro-"	"EPA_DSSTox"	"[O-][N+](=O)C1C=C(CNCCO)C(O)=CC=1"	"?"	"InChI=1S/C9H12N2O4/c12-4-3-10-6-7-5-8(11(14)15)1-2-9(7)13/h1-2,5,10,12-13H,3-4,6H2"	"KBPURVPYVJJZGS-UHFFFAOYSA-N"	TRUE	FALSE	23	1	2
"61361-61-3"	"DTXSID50210278"	"Ethanol, 2-(((2-methoxy-5-nitrophenyl)methyl)amino)-"	"EPA_DSSTox"	"COC1=CC=C(C=C1CNCCO)[N+]([O-])=O"	"?"	"InChI=1S/C10H14N2O4/c1-16-10-3-2-9(12(14)15)6-8(10)7-11-4-5-13/h2-3,6,11,13H,4-5,7H2,1H3"	"ZMEJPNWTFNLTGG-UHFFFAOYSA-N"	TRUE	FALSE	30	1	2
"61379-65-5"	"DTXSID8041115"	"Rifapentine"	"EPA_DSSTox"	"COC1C=COC2(C)OC3=C(C4=C(C(O)=C3C)C(O)=C(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)C(C=NN1CCN(CC1)C1CCCC1)=C4O)C2=O |c:25|"	"?"	"InChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12?,22-17?,25-14-,48-23?"	"WDZCUPBHRAEYDL-XLQGKBIVSA-N"	FALSE	TRUE	NA	3	5
"6138-33-6"	NA	NA	"Public_CrossChecked"	"C[N+]1(CCC(O)(C2CCCCC2)C2C=CC=CC=2)CCCC1"	"OS(=O)(=O)[O-]"	"InChI=1S/C20H32NO/c1-21(15-8-9-16-21)17-14-20(22,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2,4-5,10-11,19,22H,3,6-9,12-17H2,1H3/q+1"	"FRBBPWXCRBHYJQ-UHFFFAOYSA-N"	FALSE	FALSE	985	3	4
"6138-79-0"	"DTXSID0021410"	"Triprolidine hydrochloride monohydrate"	"EPA_DSSTox"	"CC1=CC=C(C=C1)C(=CCN1CCCC1)C1=CC=CC=N1"	"O.Cl"	"InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3"	"CBEQULMOCCWAQT-UHFFFAOYSA-N"	FALSE	FALSE	840	3	4
"614-00-6"	"DTXSID9021053"	"Nitrosomethylaniline"	"EPA_DSSTox"	"CN(N=O)C1C=CC=CC=1"	"?"	"InChI=1S/C7H8N2O/c1-9(8-10)7-5-3-2-4-6-7/h2-6H,1H3"	"MAXCWSIJKVASQC-UHFFFAOYSA-N"	FALSE	FALSE	225	2	3
"614-34-6"	"DTXSID6060632"	"p-Tolyl benzoate"	"EPA_DSSTox"	"CC1C=CC(=CC=1)OC(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C14H12O2/c1-11-7-9-13(10-8-11)16-14(15)12-5-3-2-4-6-12/h2-10H,1H3"	"LLRZUDIHEZXFGV-UHFFFAOYSA-N"	FALSE	TRUE	2644	3	5
"614-45-9"	"DTXSID9024699"	"tert-Butyl perbenzoate"	"EPA_DSSTox"	"CC(C)(C)OOC(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C11H14O3/c1-11(2,3)14-13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3"	"GJBRNHKUVLOCEB-UHFFFAOYSA-N"	FALSE	FALSE	1012	3	4
"614-68-6"	"DTXSID7052286"	"1-Isocyanato-2-methylbenzene"	"EPA_DSSTox"	"CC1=CC=CC=C1N=C=O"	"?"	"InChI=1S/C8H7NO/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3"	"VAYMIYBJLRRIFR-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"6142-38-7"	NA	NA	"Public_CrossChecked"	"COC(C)C=O"	"?"	"InChI=1S/C4H8O2/c1-4(3-5)6-2/h3-4H,1-2H3"	"HZVKHMQXJYFYRF-UHFFFAOYSA-N"	FALSE	FALSE	940	3	4
"61422-45-5"	"DTXSID2045941"	"Carmofur"	"EPA_DSSTox"	"CCCCCCNC(=O)N1C=C(F)C(=O)NC1=O"	"?"	"InChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)"	"AOCCBINRVIKJHY-UHFFFAOYSA-N"	FALSE	FALSE	268	2	3
"61444-38-0"	"DTXSID40886441"	"3-Hexenoic acid, (3Z)-3-hexen-1-yl ester, (3Z)-"	"EPA_DSSTox"	"CCC=CCC(=O)OCCC=CCC"	"?"	"InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5-8H,3-4,9-11H2,1-2H3"	"UZJQQWFHPLYECS-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"6147-37-1"	NA	NA	"Public_CrossChecked"	"CC1(CC(=O)C2C=CC=CC=2C1=O)S(O)(=O)=O"	"[Na+]"	"InChI=1S/C11H10O5S/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3,(H,14,15,16)"	"WIXFIQKTHUVFDI-UHFFFAOYSA-N"	FALSE	TRUE	4507	3	5
"61477-94-9"	"DTXSID6021169"	"Pirmenol hydrochloride"	"EPA_DSSTox"	"CC1CCCC(C)N1CCCC(O)(C1C=CC=CN=1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C22H30N2O/c1-18-10-8-11-19(2)24(18)17-9-15-22(25,20-12-4-3-5-13-20)21-14-6-7-16-23-21/h3-7,12-14,16,18-19,25H,8-11,15,17H2,1-2H3"	"APUDBKTWDCXQJA-UHFFFAOYSA-N"	FALSE	FALSE	251	2	3
"615-05-4"	"DTXSID5041358"	"2,4-Diaminoanisole"	"EPA_DSSTox"	"COC1=CC=C(N)C=C1N"	"?"	"InChI=1S/C7H10N2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,8-9H2,1H3"	"BAHPQISAXRFLCL-UHFFFAOYSA-N"	FALSE	FALSE	460	2	4
"615-16-7"	"DTXSID0060642"	"2H-Benzimidazol-2-one, 1,3-dihydro-"	"EPA_DSSTox"	"OC1NC2C=CC=CC=2N=1"	"?"	"InChI=1S/C7H6N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)"	"SILNNFMWIMZVEQ-UHFFFAOYSA-N"	FALSE	FALSE	1930	3	4
"615-50-9"	"DTXSID50872532"	"2,5-Diaminotoluene sulfate"	"EPA_DSSTox"	"CC1=CC(N)=CC=C1N"	"O=S(=O)(O)O"	"InChI=1S/C7H10N2/c1-5-4-6(8)2-3-7(5)9/h2-4H,8-9H2,1H3"	"OBCSAIDCZQSFQH-UHFFFAOYSA-N"	FALSE	FALSE	98	2	3
"615-53-2"	"DTXSID4021472"	"N-Nitroso-N-methylurethane"	"EPA_DSSTox"	"CCOC(=O)N(C)N=O"	"?"	"InChI=1S/C4H8N2O3/c1-3-9-4(7)6(2)5-8/h3H2,1-2H3"	"CAUBWLYZCDDYEF-UHFFFAOYSA-N"	FALSE	FALSE	180	2	3
"615-58-7"	"DTXSID1052290"	"2,4-Dibromophenol"	"EPA_DSSTox"	"OC1=CC=C(Br)C=C1Br"	"?"	"InChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H"	"FAXWFCTVSHEODL-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"6156-18-9"	NA	NA	"Public_CrossChecked"	"CC(C)(SC)SC"	"?"	"InChI=1S/C5H12S2/c1-5(2,6-3)7-4/h1-4H3"	"BBYNYNMPOUQKKS-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"616-02-4"	"DTXSID8060660"	"2,5-Furandione, 3-methyl-"	"EPA_DSSTox"	"CC1=CC(=O)OC1=O"	"?"	"InChI=1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h2H,1H3"	"AYKYXWQEBUNJCN-UHFFFAOYSA-N"	FALSE	TRUE	2600	3	5
"616-30-8"	"DTXSID30862294"	"1,2-Propanediol, 3-amino-"	"EPA_DSSTox"	"NCC(O)CO"	"?"	"InChI=1S/C3H9NO2/c4-1-3(6)2-5/h3,5-6H,1-2,4H2"	"KQIGMPWTAHJUMN-UHFFFAOYSA-N"	FALSE	TRUE	7500	4	5
"616-38-6"	"DTXSID9029192"	"Dimethyl carbonate"	"EPA_DSSTox"	"COC(=O)OC"	"?"	"InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3"	"IEJIGPNLZYLLBP-UHFFFAOYSA-N"	FALSE	TRUE	13000	4	5
"616-45-5"	"DTXSID8027246"	"2-Pyrrolidinone"	"EPA_DSSTox"	"O=C1CCCN1"	"?"	"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)"	"HNJBEVLQSNELDL-UHFFFAOYSA-N"	FALSE	FALSE	328	2	4
"616-91-1"	"DTXSID5020021"	"N-Acetyl-L-cysteine"	"EPA_DSSTox"	"CC(=O)NC(CS)C(O)=O"	"?"	"InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)"	"PWKSKIMOESPYIA-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"6161-78-0"	NA	NA	"Public_CrossChecked"	"COP(=O)(OC1C=CC(Cl)=CC=1Cl)OC"	"?"	"InChI=1S/C8H9Cl2O4P/c1-12-15(11,13-2)14-8-4-3-6(9)5-7(8)10/h3-5H,1-2H3"	"HQOXGGXIWGFFQY-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"61614-62-8"	NA	NA	"Public_CrossChecked"	"CCC(C)C1C=C(C=C(C=1OC(=O)OC1C=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C17H14N4O11/c1-3-9(2)12-6-11(19(25)26)8-14(21(29)30)16(12)32-17(22)31-15-5-4-10(18(23)24)7-13(15)20(27)28/h4-9H,3H2,1-2H3"	"HEJVROKEIMJTIN-UHFFFAOYSA-N"	FALSE	FALSE	108	2	3
"6164-98-3"	"DTXSID2037508"	"Chlordimeform"	"EPA_DSSTox"	"CC1C=C(Cl)C=CC=1N=CN(C)C"	"?"	"InChI=1S/C10H13ClN2/c1-8-6-9(11)4-5-10(8)12-7-13(2)3/h4-7H,1-3H3"	"STUSTWKEFDQFFZ-UHFFFAOYSA-N"	FALSE	FALSE	160	2	3
"61655-58-1"	"DTXSID60210668"	"MK-212 hydrochloride"	"EPA_DSSTox"	"ClC1=CN=CC(=N1)N1CCNCC1"	"Cl"	"InChI=1S/C8H11ClN4/c9-7-5-11-6-8(12-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2"	"CJAWPFJGFFNXQI-UHFFFAOYSA-N"	FALSE	FALSE	79.6	2	3
"61668-40-4"	"DTXSID10886453"	"1-Decene, 1-ethoxy-"	"EPA_DSSTox"	"CCOC=CCCCCCCCC"	"?"	"InChI=1S/C12H24O/c1-3-5-6-7-8-9-10-11-12-13-4-2/h11-12H,3-10H2,1-2H3"	"OGHVFBHUBBKMAK-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"61676-87-7"	"DTXSID5058143"	"Cymiazole"	"EPA_DSSTox"	"CC1C=C(C)C(=CC=1)N=C1SC=CN1C"	"?"	"InChI=1S/C12H14N2S/c1-9-4-5-11(10(2)8-9)13-12-14(3)6-7-15-12/h4-8H,1-3H3"	"YUAUPYJCVKNAEC-UHFFFAOYSA-N"	FALSE	FALSE	725	3	4
"617-48-1"	"DTXSID0027640"	"Malic acid"	"EPA_DSSTox"	"OC(=O)C(O)CC(O)=O"	"?"	"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)"	"BJEPYKJPYRNKOW-UHFFFAOYSA-N"	FALSE	TRUE	9300	4	5
"617-79-8"	"DTXSID00210703"	"2-Ethyl butylamine"	"EPA_DSSTox"	"CCC(CN)CC"	"?"	"InChI=1S/C6H15N/c1-3-6(4-2)5-7/h6H,3-5,7H2,1-2H3"	"MGWAGIQQTULHGU-UHFFFAOYSA-N"	FALSE	FALSE	310	2	4
"61718-80-7"	"DTXSID60210724"	"Fluvoxketone"	"EPA_DSSTox"	"COCCCCC(=O)C1C=CC(=CC=1)C(F)(F)F"	"?"	"InChI=1S/C13H15F3O2/c1-18-9-3-2-4-12(17)10-5-7-11(8-6-10)13(14,15)16/h5-8H,2-4,9H2,1H3"	"VYKSRLDHXQURKA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"6172-80-1"	"DTXSID80446689"	"Phosphinic acid, methyl-, butyl ester"	"EPA_DSSTox"	"CCCCO[P+](C)=O"	"?"	"InChI=1S/C5H12O2P/c1-3-4-5-7-8(2)6/h3-5H2,1-2H3/q+1"	"JUMDGYIOMFZJDX-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"61738-04-3"	"DTXSID10210739"	"Ethylamine, N-(methoxymethyl)-N-nitroso-"	"EPA_DSSTox"	"CCN(COC)N=O"	"?"	"InChI=1S/C4H10N2O2/c1-3-6(5-7)4-8-2/h3-4H2,1-2H3"	"SRCBMONTDYZTOB-UHFFFAOYSA-N"	FALSE	FALSE	540	3	4
"61738-05-4"	NA	NA	"Public_CrossChecked"	"COC(C)N(C)N=O"	"?"	"InChI=1S/C4H10N2O2/c1-4(8-3)6(2)5-7/h4H,1-3H3"	"KHTKADWZZIHTIA-UHFFFAOYSA-N"	FALSE	FALSE	240	2	3
"61750-69-4"	NA	NA	"Public_CrossChecked"	"CC(C)=CCCC(C)=CCOC1=CN=C(CC)C=C1"	"?"	"InChI=1S/C17H25NO/c1-5-16-9-10-17(13-18-16)19-12-11-15(4)8-6-7-14(2)3/h7,9-11,13H,5-6,8,12H2,1-4H3"	"XRJFANPLZGRFSH-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"61788-32-7"	"DTXSID3028051"	"Terphenyl, hydrogenated"	"EPA_DSSTox"	"C1C=CCCC1C1=CC=C(C=C1)C1CCCC=C1"	"?"	"InChI=1S/C18H22/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1,3,5,9,11-16H,2,4,6-8,10H2"	"TVBYFUMVFJKKNJ-UHFFFAOYSA-N"	FALSE	TRUE	17500	4	5
"61788-89-4"	"DTXSID2028062"	"Fatty acids, C18-unsatd., dimers"	"EPA_DSSTox"	"CCCCCC=CCCC(CCCCCCCC(O)=O)C(CCCCCCCCC(O)=O)CCCCCCCC"	"?"	"InChI=1S/C36H68O4/c1-3-5-7-9-11-16-22-28-34(30-24-18-14-20-26-32-36(39)40)33(27-21-15-10-8-6-4-2)29-23-17-12-13-19-25-31-35(37)38/h11,16,33-34H,3-10,12-15,17-32H2,1-2H3,(H,37,38)(H,39,40)"	"AMOKUAKXKXBFIW-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"61791-42-2"	NA	NA	"Public_CrossChecked"	"CNCCS(O)(=O)=O"	"[Na+]"	"InChI=1S/C3H9NO3S/c1-4-2-3-8(5,6)7/h4H,2-3H2,1H3,(H,5,6,7)"	"SUZRRICLUFMAQD-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"61792-11-8"	"DTXSID1052296"	"3,7-Dimethylnona-2,6-dienenitrile"	"EPA_DSSTox"	"CCC(C)=CCCC(C)=CC#N"	"?"	"InChI=1S/C11H17N/c1-4-10(2)6-5-7-11(3)8-9-12/h6,8H,4-5,7H2,1-3H3"	"DHJVLXVXNFUSMU-UHFFFAOYSA-N"	FALSE	TRUE	2600	3	5
"618-83-7"	"DTXSID1060687"	"5-Hydoxyisophthalic acid"	"EPA_DSSTox"	"OC(=O)C1C=C(O)C=C(C=1)C(O)=O"	"?"	"InChI=1S/C8H6O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)"	"QNVNLUSHGRBCLO-UHFFFAOYSA-N"	FALSE	TRUE	11220	4	5
"618-85-9"	"DTXSID40210803"	"3,5-Dinitrotoluene"	"EPA_DSSTox"	"CC1C=C(C=C(C=1)[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C7H6N2O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3"	"RUIFULUFLANOCI-UHFFFAOYSA-N"	FALSE	FALSE	216	2	3
"618061-76-0"	"DTXSID70575639"	"Diethyl (2-{[4-(3-chloro-4-fluoroanilino)-7-{[(3S)-oxolan-3-yl]oxy}quinazolin-6-yl]amino}-2-oxoethyl)phosphonate"	"EPA_DSSTox"	"CCOP(=O)(CC(=O)NC1=CC2C(NC3C=CC(F)=C(Cl)C=3)=NC=NC=2C=C1OC1CCOC1)OCC"	"?"	"InChI=1S/C24H27ClFN4O6P/c1-3-34-37(32,35-4-2)13-23(31)30-21-10-17-20(11-22(21)36-16-7-8-33-12-16)27-14-28-24(17)29-15-5-6-19(26)18(25)9-15/h5-6,9-11,14,16H,3-4,7-8,12-13H2,1-2H3,(H,30,31)(H,27,28,29)"	"FNGRCLBEXKFSST-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"61826-76-4"	NA	NA	"Public_CrossChecked"	"N#CC(O)C1=CC(=CC=C1)OC1C=CC=CC=1"	"?"	"InChI=1S/C14H11NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9,14,16H"	"GXUQMKBQDGPMKZ-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"61837-66-9"	NA	NA	"Public_CrossChecked"	"CCC1(NC(=O)NC1=O)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C11H12N2O3/c1-2-11(9(15)12-10(16)13-11)7-3-5-8(14)6-4-7/h3-6,14H,2H2,1H3,(H2,12,13,15,16)"	"LZFIVJCLUUNXKT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"6187-24-2"	NA	NA	"Public_CrossChecked"	"CCC(=CCCC)[N+]([O-])=O"	"?"	"InChI=1S/C7H13NO2/c1-3-5-6-7(4-2)8(9)10/h6H,3-5H2,1-2H3"	"GWDKXPLSCZJVHP-UHFFFAOYSA-N"	FALSE	FALSE	620	3	4
"619-08-9"	"DTXSID0060694"	"Phenol, 2-chloro-4-nitro-"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC(O)=C(Cl)C=1"	"?"	"InChI=1S/C6H4ClNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H"	"BOFRXDMCQRTGII-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"619-15-8"	"DTXSID8027248"	"2,5-Dinitrotoluene"	"EPA_DSSTox"	"CC1=CC(=CC=C1[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C7H6N2O4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3"	"KZBOXYKTSUUBTO-UHFFFAOYSA-N"	FALSE	FALSE	517	3	4
"619-72-7"	"DTXSID7060706"	"Benzonitrile, 4-nitro-"	"EPA_DSSTox"	"N#CC1C=CC(=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C7H4N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H"	"NKJIFDNZPGLLSH-UHFFFAOYSA-N"	TRUE	FALSE	30	1	2
"619-80-7"	"DTXSID8022086"	"4-Nitrobenzamide"	"EPA_DSSTox"	"NC(=O)C1C=CC(=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C7H6N2O3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H,(H2,8,10)"	"ZESWUEBPRPGMTP-UHFFFAOYSA-N"	FALSE	FALSE	476	2	4
"61901-00-6"	NA	NA	"Public_CrossChecked"	"CCC(C)N"	"C(=O)(O)O"	"InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3"	"BHRZNVHARXXAHW-UHFFFAOYSA-N"	FALSE	FALSE	1510	3	4
"6192-52-5"	"DTXSID5044316"	"4-Methylbenzenesulfonic acid hydrate"	"EPA_DSSTox"	"CC1=CC=C(C=C1)S(O)(=O)=O"	"O"	"InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)"	"JOXIMZWYDAKGHI-UHFFFAOYSA-N"	FALSE	TRUE	2570	3	5
"61925-70-0"	"DTXSID10210956"	"Propylamine, N-(4-tert-butylcyclohexyl)-3,3-diphenyl-, hydrochloride, cis-"	"EPA_DSSTox"	"CC(C)(C)C1CCC(CC1)NCCC(C1C=CC=CC=1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C25H35N/c1-25(2,3)22-14-16-23(17-15-22)26-19-18-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,22-24,26H,14-19H2,1-3H3"	"IGUWOQYQOOHZDO-UHFFFAOYSA-N"	FALSE	TRUE	2550	3	5
"61931-80-4"	"DTXSID50866895"	"1,6-Nonadien-3-ol, 3,7-dimethyl-, 3-acetate"	"EPA_DSSTox"	"CCC(C)=CCCC(C)(C=C)OC(C)=O"	"?"	"InChI=1S/C13H22O2/c1-6-11(3)9-8-10-13(5,7-2)15-12(4)14/h7,9H,2,6,8,10H2,1,3-5H3"	"IVSZEHYDOLAREK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"61941-56-8"	"DTXSID8048658"	"Amfenac sodium"	"EPA_DSSTox"	"NC1C(=CC=CC=1CC(O)=O)C(=O)C1C=CC=CC=1"	"[Na+]"	"InChI=1S/C15H13NO3/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10/h1-8H,9,16H2,(H,17,18)"	"SOYCMDCMZDHQFP-UHFFFAOYSA-N"	FALSE	FALSE	311	2	4
"6197-30-4"	"DTXSID9025299"	"2-Ethylhexyl-2-cyano-3,3-diphenylacrylate"	"EPA_DSSTox"	"CCCCC(COC(=O)C(C#N)=C(C1C=CC=CC=1)C1C=CC=CC=1)CC"	"?"	"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"	FALSE	TRUE	NA	4	5
"61988-37-2"	"DTXSID90211022"	"1,3-Benzenediamine, 4-(1,1,2,2-tetrafluoroethoxy)-"	"EPA_DSSTox"	"NC1C=C(N)C(=CC=1)OC(F)(F)C(F)F"	"?"	"InChI=1S/C8H8F4N2O/c9-7(10)8(11,12)15-6-2-1-4(13)3-5(6)14/h1-3,7H,13-14H2"	"GZBDTUVDCDMCDU-UHFFFAOYSA-N"	FALSE	FALSE	1070	3	4
"62-23-7"	"DTXSID3020966"	"4-Nitrobenzoic acid"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC(=CC=1)C(O)=O"	"?"	"InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)"	"OTLNPYWUJOZPPA-UHFFFAOYSA-N"	FALSE	FALSE	1960	3	4
"62-31-7"	"DTXSID7020550"	"Dopamine hydrochloride"	"EPA_DSSTox"	"NCCC1C=C(O)C(O)=CC=1"	"Cl"	"InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2"	"VYFYYTLLBUKUHU-UHFFFAOYSA-N"	FALSE	TRUE	2859	3	5
"62-33-9"	"DTXSID2036409"	"Calcium disodium ethylenediaminetetraacetate"	"EPA_DSSTox"	"OC(=O)CN(CC(O)=O)CCN(CC(O)=O)CC(O)=O"	"[Ca+2].[Na+].[Na+]"	"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"	FALSE	TRUE	10000	4	5
"62-44-2"	"DTXSID1021116"	"Phenacetin"	"EPA_DSSTox"	"CC(=O)NC1C=CC(=CC=1)OCC"	"?"	"InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)"	"CPJSUEIXXCENMM-UHFFFAOYSA-N"	FALSE	FALSE	1650	3	4
"62-46-4"	"DTXSID7025508"	"alpha-Lipoic acid"	"EPA_DSSTox"	"OC(=O)CCCCC1CCSS1"	"?"	"InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)"	"AGBQKNBQESQNJD-UHFFFAOYSA-N"	FALSE	FALSE	1130	3	4
"62-51-1"	"DTXSID7023271"	"Methacholine chloride"	"EPA_DSSTox"	"CC(C[N+](C)(C)C)OC(C)=O"	"[Cl-]"	"InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1"	"NZWOPGCLSHLLPA-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"62-55-5"	"DTXSID9021340"	"Thioacetamide"	"EPA_DSSTox"	"CC(N)=S"	"?"	"InChI=1S/C2H5NS/c1-2(3)4/h1H3,(H2,3,4)"	"YUKQRDCYNOVPGJ-UHFFFAOYSA-N"	FALSE	FALSE	301	2	4
"62-74-8"	"DTXSID8024311"	"Sodium fluoroacetate"	"EPA_DSSTox"	"OC(=O)CF"	"[Na+]"	"InChI=1S/C2H3FO2/c3-1-2(4)5/h1H2,(H,4,5)"	"QEWYKACRFQMRMB-UHFFFAOYSA-N"	TRUE	FALSE	0.1	1	1
"62-75-9"	"DTXSID7021029"	"N-Nitrosodimethylamine"	"EPA_DSSTox"	"CN(C)N=O"	"?"	"InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3"	"UMFJAHHVKNCGLG-UHFFFAOYSA-N"	TRUE	FALSE	37	1	2
"62-76-0"	"DTXSID1037018"	"Sodium oxalate"	"EPA_DSSTox"	"OC(=O)C(O)=O"	"[Na+].[Na+]"	"InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)"	"MUBZPKHOEPUJKR-UHFFFAOYSA-N"	FALSE	TRUE	11160	4	5
"62-97-5"	"DTXSID9022948"	"Diphemanil methylsulfate"	"EPA_DSSTox"	"C[N+]1(C)CCC(CC1)=C(C1C=CC=CC=1)C1C=CC=CC=1"	"S([O-])(=O)(=O)OC"	"InChI=1S/C20H24N/c1-21(2)15-13-19(14-16-21)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3/q+1"	"LCTZPQRFOZKZNK-UHFFFAOYSA-N"	FALSE	FALSE	1107	3	4
"621-29-4"	"DTXSID9060732"	"Benzene, 1-isocyanato-3-methyl-"	"EPA_DSSTox"	"CC1=CC(=CC=C1)N=C=O"	"?"	"InChI=1S/C8H7NO/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3"	"CPPGZWWUPFWALU-UHFFFAOYSA-N"	FALSE	TRUE	2926	3	5
"621-65-8"	"DTXSID30875566"	"1,2,3-PROPANETRIOL, 1,2-DINITRATE"	"EPA_DSSTox"	"[O-][N+](=O)OCC(CO)O[N+]([O-])=O"	"?"	"InChI=1S/C3H6N2O7/c6-1-3(12-5(9)10)2-11-4(7)8/h3,6H,1-2H2"	"GFVHBTOOPNJKLV-UHFFFAOYSA-N"	FALSE	FALSE	1423	3	4
"621-92-1"	"DTXSID50883507"	"Phenol, 4-[(phenylmethyl)amino]-, hydrochloride (1:1)"	"EPA_DSSTox"	"OC1=CC=C(C=C1)NCC1C=CC=CC=1"	"Cl"	"InChI=1S/C13H13NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-9,14-15H,10H2"	"SRYYOKKLTBRLHT-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"621-95-4"	"DTXSID3060742"	"Benzenamine, 4,4'-(1,2-ethanediyl)bis-"	"EPA_DSSTox"	"NC1C=CC(CCC2C=CC(N)=CC=2)=CC=1"	"?"	"InChI=1S/C14H16N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,1-2,15-16H2"	"UHNUHZHQLCGZDA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"622-03-7"	"DTXSID8060743"	"Carbonothioic dihydrazide, 2,2'-diphenyl-"	"EPA_DSSTox"	"S=C(NNC1C=CC=CC=1)NNC1C=CC=CC=1"	"?"	"InChI=1S/C13H14N4S/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14-15H,(H2,16,17,18)"	"BNSNUHPJRKTRNT-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"622-04-8"	"DTXSID80211233"	"1,3-Diphenoxy-2-propanol"	"EPA_DSSTox"	"OC(COC1C=CC=CC=1)COC1C=CC=CC=1"	"?"	"InChI=1S/C15H16O3/c16-13(11-17-14-7-3-1-4-8-14)12-18-15-9-5-2-6-10-15/h1-10,13,16H,11-12H2"	"NKCVHIPHZCIEFC-UHFFFAOYSA-N"	FALSE	FALSE	1450	3	4
"622-08-2"	"DTXSID3060744"	"Ethanol, 2-(phenylmethoxy)-"	"EPA_DSSTox"	"OCCOCC1C=CC=CC=1"	"?"	"InChI=1S/C9H12O2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2"	"CUZKCNWZBXLAJX-UHFFFAOYSA-N"	FALSE	FALSE	1190	3	4
"622-15-1"	"DTXSID8060745"	"N,N'-Diphenylformamidine"	"EPA_DSSTox"	"C(/NC1C=CC=CC=1)=N\C1C=CC=CC=1"	"?"	"InChI=1S/C13H12N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-11H,(H,14,15)"	"ZQUVDXMUKIVNOW-UHFFFAOYSA-N"	FALSE	FALSE	1903	3	4
"622-40-2"	"DTXSID2022090"	"4-(2-Hydroxyethyl)morpholine"	"EPA_DSSTox"	"OCCN1CCOCC1"	"?"	"InChI=1S/C6H13NO2/c8-4-1-7-2-5-9-6-3-7/h8H,1-6H2"	"KKFDCBRMNNSAAW-UHFFFAOYSA-N"	FALSE	TRUE	5500	4	5
"622-45-7"	"DTXSID6052299"	"Cyclohexyl acetate"	"EPA_DSSTox"	"CC(=O)OC1CCCCC1"	"?"	"InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3"	"YYLLIJHXUHJATK-UHFFFAOYSA-N"	FALSE	TRUE	6730	4	5
"622-58-2"	"DTXSID2060755"	"p-Tolyl isocyanate"	"EPA_DSSTox"	"CC1=CC=C(C=C1)N=C=O"	"?"	"InChI=1S/C8H7NO/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3"	"MGYGFNQQGAQEON-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"622-97-9"	"DTXSID3020889"	"4-Methylstyrene"	"EPA_DSSTox"	"CC1=CC=C(C=C1)C=C"	"?"	"InChI=1S/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3"	"JLBJTVDPSNHSKJ-UHFFFAOYSA-N"	FALSE	TRUE	2255	3	5
"62229-50-9"	NA	NA	"Public_CrossChecked"	"CSCCC(/N=C(\O)/C(CS)/N=C(\O)/C(/N=C(\O)/C/N=C(\O)/C/N=C(\O)/C(CC(=N)O)/N=C(\O)/C(CC(C)C)/N=C(\O)/C(CS)/N=C(\O)/C(CC1C=CC(O)=CC=1)/N=C(\O)/C/N=C(\O)/C(CC(O)=O)/N=C(\O)/C(CC1C=CC(O)=CC=1)/N=C(\O)/C(CO)/N=C(\O)/C(CO)/N=C(\O)/C1CCCN1C(=O)C(CS)/N=C(\O)/C/N=C(\O)/C1CCCN1C(=O)C(CC1C=CC(O)=CC=1)/N=C(\O)/C(CO)/N=C(\O)/C(N)CC(=N)O)C(C)C)/C(/O)=N/C(CC1=CN=CN1)/C(/O)=N/C(C(C)CC)/C(/O)=N/C(CCC(O)=O)/C(/O)=N/C(CO)/C(/O)=N/C(CC(C)C)/C(/O)=N/C(CC(O)=O)/C(/O)=N/C(CO)/C(/O)=N/C(CC1C=CC(O)=CC=1)/C(/O)=N/C(C(C)O)/C(/O)=N/C(CS)/C(/O)=N/C(CC(=N)O)/C(/O)=N/C(CS)/C(/O)=N/C(C(C)C)/C(/O)=N/C(C(C)CC)/C(/O)=N/C/C(/O)=N/C(CC1C=CC(O)=CC=1)/C(/O)=N/C(CO)/C(/O)=N/C/C(/O)=N/C(CC(O)=O)/C(/O)=N/C(CCCNC(N)=N)/C(/O)=N/C(CS)/C(/O)=N/C(CCC(=N)O)/C(/O)=N/C(C(C)O)/C(/O)=N/C(CCCNC(N)=N)/C(/O)=N/C(CC(O)=O)/C(/O)=N/C(CC(C)C)/C(/O)=N/C(CCCNC(N)=N)/C(/O)=N/C(CC1=CNC2=CC=CC=C12)/C(/O)=N/C(CC1=CNC2=CC=CC=C12)/C(/O)=N/C(CCC(O)=O)/C(/O)=N/C(CC(C)C)/C(/O)=N/C(CCCNC(N)=N)C(O)=O"	"?"	"InChI=1S/C257H381N73O83S7/c1-20-123(15)203(245(404)283-103-192(351)285-157(80-127-42-52-135(339)53-43-127)222(381)313-171(104-331)210(369)281-101-191(350)287-167(92-198(360)361)228(387)290-146(37-27-70-273-255(265)266)213(372)318-177(110-414)238(397)292-148(62-65-185(259)344)217(376)327-205(125(17)337)249(408)294-147(38-28-71-274-256(267)268)212(371)309-168(93-199(362)363)229(388)298-153(76-117(3)4)218(377)289-145(36-26-69-272-254(263)264)211(370)303-162(86-133-96-277-144-35-25-23-33-141(133)144)226(385)304-161(85-132-95-276-143-34-24-22-32-140(132)143)225(384)291-149(63-66-195(354)355)214(373)297-154(77-118(5)6)219(378)296-152(253(412)413)39-29-72-275-257(269)270)326-247(406)202(122(13)14)324-242(401)181(114-418)320-227(386)165(90-188(262)347)307-241(400)180(113-417)322-250(409)206(126(18)338)328-231(390)160(83-130-48-58-138(342)59-49-130)302-234(393)174(107-334)315-230(389)169(94-200(364)365)310-221(380)155(78-119(7)8)299-233(392)173(106-333)314-215(374)150(64-67-196(356)357)295-248(407)204(124(16)21-2)325-232(391)163(87-134-97-271-116-284-134)305-216(375)151(68-75-420-19)293-239(398)179(112-416)321-246(405)201(121(11)12)323-194(353)99-278-189(348)98-279-208(367)164(89-187(261)346)306-220(379)156(79-120(9)10)300-240(399)178(111-415)319-223(382)158(81-128-44-54-136(340)55-45-128)286-190(349)100-280-209(368)166(91-197(358)359)308-224(383)159(82-129-46-56-137(341)57-47-129)301-235(394)175(108-335)316-237(396)176(109-336)317-244(403)184-41-31-74-330(184)252(411)182(115-419)288-193(352)102-282-243(402)183-40-30-73-329(183)251(410)170(84-131-50-60-139(343)61-51-131)311-236(395)172(105-332)312-207(366)142(258)88-186(260)345/h22-25,32-35,42-61,95-97,116-126,142,145-184,201-206,276-277,331-343,414-419H,20-21,26-31,36-41,62-94,98-115,258H2,1-19H3,(H2,259,344)(H2,260,345)(H2,261,346)(H2,262,347)(H,271,284)(H,278,348)(H,279,367)(H,280,368)(H,281,369)(H,282,402)(H,283,404)(H,285,351)(H,286,349)(H,287,350)(H,288,352)(H,289,377)(H,290,387)(H,291,384)(H,292,397)(H,293,398)(H,294,408)(H,295,407)(H,296,378)(H,297,373)(H,298,388)(H,299,392)(H,300,399)(H,301,394)(H,302,393)(H,303,370)(H,304,385)(H,305,375)(H,306,379)(H,307,400)(H,308,383)(H,309,371)(H,310,380)(H,311,395)(H,312,366)(H,313,381)(H,314,374)(H,315,389)(H,316,396)(H,317,403)(H,318,372)(H,319,382)(H,320,386)(H,321,405)(H,322,409)(H,323,353)(H,324,401)(H,325,391)(H,326,406)(H,327,376)(H,328,390)(H,354,355)(H,356,357)(H,358,359)(H,360,361)(H,362,363)(H,364,365)(H,412,413)(H4,263,264,272)(H4,265,266,273)(H4,267,268,274)(H4,269,270,275)"	"VBEQCZHXXJYVRD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"6223-35-4"	"DTXSID40211279"	"Sodium Gualenate"	"EPA_DSSTox"	"CC1C=CC(=CC2C=1C(=CC=2C)S(O)(=O)=O)C(C)C"	"[Na+]"	"InChI=1S/C15H18O3S/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)19(16,17)18/h5-9H,1-4H3,(H,16,17,18)"	"VIZXMHCBZLGUET-UHFFFAOYSA-N"	FALSE	TRUE	6380	4	5
"623-25-6"	"DTXSID7022091"	"alpha,alpha'-Dichloro-p-xylene"	"EPA_DSSTox"	"ClCC1C=CC(CCl)=CC=1"	"?"	"InChI=1S/C8H8Cl2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6H2"	"ZZHIDJWUJRKHGX-UHFFFAOYSA-N"	FALSE	FALSE	1280	3	4
"623-30-3"	"DTXSID2025349"	"3-(2-Furyl)acrolein"	"EPA_DSSTox"	"O=CC=CC1=CC=CO1"	"?"	"InChI=1S/C7H6O2/c8-5-1-3-7-4-2-6-9-7/h1-6H"	"VZIRCHXYMBFNFD-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"623-36-9"	"DTXSID3052301"	"2-Methylpent-2-enal"	"EPA_DSSTox"	"CC(C=O)=CCC"	"?"	"InChI=1S/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3"	"IDEYZABHVQLHAF-UHFFFAOYSA-N"	FALSE	TRUE	4290	3	5
"623-40-5"	NA	NA	"Public_CrossChecked"	"CCCC(C)N=O"	"?"	"InChI=1S/C5H11NO/c1-3-4-5(2)6-7/h5H,3-4H2,1-2H3"	"GCPUWNGXWQTXSG-UHFFFAOYSA-N"	FALSE	FALSE	1133	3	4
"623-42-7"	"DTXSID5047083"	"Methyl butyrate"	"EPA_DSSTox"	"CCCC(=O)OC"	"?"	"InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3"	"UUIQMZJEGPQKFD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"623-43-8"	"DTXSID10878813"	"2-Butenoic acid, methyl ester, (E)-"	"EPA_DSSTox"	"CC=CC(=O)OC"	"?"	"InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3-4H,1-2H3"	"MCVVUJPXSBQTRZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"623-51-8"	"DTXSID8049337"	"Acetic acid,mercapto-,ethylester"	"EPA_DSSTox"	"CCOC(=O)CS"	"?"	"InChI=1S/C4H8O2S/c1-2-6-4(5)3-7/h7H,2-3H2,1H3"	"PVBRSNZAOAJRKO-UHFFFAOYSA-N"	FALSE	FALSE	178	2	3
"623-53-0"	"DTXSID6074592"	"Carbonic acid, ethyl methyl ester"	"EPA_DSSTox"	"COC(=O)OCC"	"?"	"InChI=1S/C4H8O3/c1-3-7-4(5)6-2/h3H2,1-2H3"	"JBTWLSYIZRCDFO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"623-68-7"	NA	NA	"Public_CrossChecked"	"CC=CC(=O)OC(=O)C=CC"	"?"	"InChI=1S/C8H10O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H,1-2H3"	"VJDDQSBNUHLBTD-UHFFFAOYSA-N"	FALSE	TRUE	2830	3	5
"623-70-1"	"DTXSID5057591"	"Ethyl crotonate"	"EPA_DSSTox"	"CC=CC(=O)OCC"	"?"	"InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3"	"ZFDIRQKJPRINOQ-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"623-73-4"	"DTXSID10878732"	"Diazoacetic Ester"	"EPA_DSSTox"	"CCOC(=O)C=[N+]=N"	"?"	"InChI=1S/C4H7N2O2/c1-2-8-4(7)3-6-5/h3,5H,2H2,1H3/q+1"	"BTAJUHXJOOODNT-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"62303-19-9"	"DTXSID60211372"	"2-Benzoylhydrazono-1,3-dithiolane"	"EPA_DSSTox"	"O=C(N=NC1SCCS1)C1C=CC=CC=1"	"?"	"InChI=1S/C10H10N2OS2/c13-9(8-4-2-1-3-5-8)11-12-10-14-6-7-15-10/h1-5,10H,6-7H2"	"GNJMYZMFEQLZJT-UHFFFAOYSA-N"	FALSE	FALSE	72.8	2	3
"6231-03-4"	"DTXSID40211375"	"Phosphonothioic acid, phenyl-, O,O-diethyl ester"	"EPA_DSSTox"	"CCOP(=S)(OCC)C1C=CC=CC=1"	"?"	"InChI=1S/C10H15O2PS/c1-3-11-13(14,12-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3"	"IEEVMKZCLPHMRL-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"6232-56-0"	NA	NA	"Public_CrossChecked"	"CN(CCO)C1C=CC(=CC=1)N=NC1C(Cl)=CC(=CC=1Cl)[N+]([O-])=O"	"?"	"InChI=1S/C15H14Cl2N4O3/c1-20(6-7-22)11-4-2-10(3-5-11)18-19-15-13(16)8-12(21(23)24)9-14(15)17/h2-5,8-9,22H,6-7H2,1H3"	"MPIGKGDPQRWZLU-UHFFFAOYSA-N"	FALSE	TRUE	2820	3	5
"62382-23-4"	NA	NA	"Public_CrossChecked"	"CN(SN1CCOCC1)C(=O)ON=CC(C)(C)SC"	"?"	"InChI=1S/C11H21N3O3S2/c1-11(2,18-4)9-12-17-10(15)13(3)19-14-5-7-16-8-6-14/h9H,5-8H2,1-4H3"	"LZWYTEGVUFWUPW-UHFFFAOYSA-N"	TRUE	FALSE	1.2	1	1
"62395-45-3"	NA	NA	"Public_CrossChecked"	"CC1CCC(CC=1)C(C)(C)OC(=O)CC"	"?"	"InChI=1S/C13H22O2/c1-5-12(14)15-13(3,4)11-8-6-10(2)7-9-11/h6,11H,5,7-9H2,1-4H3"	"CMKQOKAXUWQAHG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"624-18-0"	"DTXSID8021141"	"1,4-Benzenediamine dihydrochloride"	"EPA_DSSTox"	"NC1C=CC(N)=CC=1"	"Cl.Cl"	"InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2"	"CBCKQZAAMUWICA-UHFFFAOYSA-N"	FALSE	FALSE	147	2	3
"624-43-1"	NA	NA	"Public_CrossChecked"	"[O-][N+](=O)OCC(O)CO"	"?"	"InChI=1S/C3H7NO5/c5-1-3(6)2-9-4(7)8/h3,5-6H,1-2H2"	"HXWLJBVVXXBZCM-UHFFFAOYSA-N"	FALSE	FALSE	339	2	4
"624-48-6"	"DTXSID4040765"	"Dimethyl maleate"	"EPA_DSSTox"	"COC(=O)C=CC(=O)OC"	"?"	"InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3"	"LDCRTTXIJACKKU-UHFFFAOYSA-N"	FALSE	FALSE	1410	3	4
"624-49-7"	"DTXSID4060787"	"2-Butenedioic acid (2E)-, 1,4-dimethyl ester"	"EPA_DSSTox"	"COC(=O)C=CC(=O)OC"	"?"	"InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3"	"LDCRTTXIJACKKU-UHFFFAOYSA-N"	FALSE	TRUE	2240	3	5
"624-54-4"	"DTXSID4041606"	"Pentyl propionate"	"EPA_DSSTox"	"CCCCCOC(=O)CC"	"?"	"InChI=1S/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3"	"TWSRVQVEYJNFKQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"624-65-7"	"DTXSID4060789"	"1-Propyne, 3-chloro-"	"EPA_DSSTox"	"C#CCCl"	"?"	"InChI=1S/C3H3Cl/c1-2-3-4/h1H,3H2"	"LJZPPWWHKPGCHS-UHFFFAOYSA-N"	FALSE	FALSE	165	2	3
"624-76-0"	"DTXSID3060792"	"Ethanol, 2-iodo-"	"EPA_DSSTox"	"OCCI"	"?"	"InChI=1S/C2H5IO/c3-1-2-4/h4H,1-2H2"	"QSECPQCFCWVBKM-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"624-83-9"	"DTXSID1023786"	"Methyl isocyanate"	"EPA_DSSTox"	"CN=C=O"	"?"	"InChI=1S/C2H3NO/c1-3-2-4/h1H3"	"HAMGRBXTJNITHG-UHFFFAOYSA-N"	FALSE	FALSE	51.5	2	3
"624-89-5"	"DTXSID3060794"	"Ethyl methyl sulfide"	"EPA_DSSTox"	"CCSC"	"?"	"InChI=1S/C3H8S/c1-3-4-2/h3H2,1-2H3"	"WXEHBUMAEPOYKP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"624-92-0"	"DTXSID4025117"	"Methyl disulfide"	"EPA_DSSTox"	"CSSC"	"?"	"InChI=1S/C2H6S2/c1-3-4-2/h1-2H3"	"WQOXQRCZOLPYPM-UHFFFAOYSA-N"	FALSE	FALSE	290	2	3
"62421-46-9"	NA	NA	"Public_CrossChecked"	"CCP(=O)(OCC)SC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C10H14ClO2PS/c1-3-13-14(12,4-2)15-10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3"	"WJMJGFODYOTICV-UHFFFAOYSA-N"	TRUE	FALSE	5.8	1	2
"62450-06-0"	"DTXSID0043767"	"Trp-P-1"	"EPA_DSSTox"	"CC1=C(N)N=C(C)C2=C1NC1C=CC=CC=12"	"?"	"InChI=1S/C13H13N3/c1-7-12-11(8(2)15-13(7)14)9-5-3-4-6-10(9)16-12/h3-6,16H,1-2H3,(H2,14,15)"	"LVTKHGUGBGNBPL-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"6247-39-8"	"DTXSID90211507"	"C.I. 70500"	"EPA_DSSTox"	"O=C1C2=CC=CC=C2C2=CC=C3C4C2=C1C=CC=4C1C=CC2=C4C(=NN3C=14)C1=CC=CC=C1C2=O"	"?"	"InChI=1S/C31H14N2O2/c34-30-20-7-3-1-5-15(20)16-13-14-24-26-17(9-11-22(30)25(16)26)19-10-12-23-27-28(32-33(24)29(19)27)18-6-2-4-8-21(18)31(23)35/h1-14H"	"KQXAEVNNCQHYTP-UHFFFAOYSA-N"	FALSE	TRUE	13900	4	5
"62476-59-9"	"DTXSID7023853"	"Acifluorfen-sodium"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC(=CC=1C(O)=O)OC1C=CC(=CC=1Cl)C(F)(F)F"	"[Na+]"	"InChI=1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)"	"NUFNQYOELLVIPL-UHFFFAOYSA-N"	FALSE	FALSE	1300	3	4
"625-33-2"	"DTXSID0060800"	"3-Penten-2-one"	"EPA_DSSTox"	"CC=CC(C)=O"	"?"	"InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3"	"LABTWGUMFABVFG-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"625-45-6"	"DTXSID1031591"	"Methoxyacetic acid"	"EPA_DSSTox"	"COCC(O)=O"	"?"	"InChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)"	"RMIODHQZRUFFFF-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"625-53-6"	"DTXSID0060804"	"Ethylthiourea"	"EPA_DSSTox"	"CCNC(N)=S"	"?"	"InChI=1S/C3H8N2S/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6)"	"GMEHFXXZSWDEDB-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"625-84-3"	"DTXSID40211552"	"2,5-Dimethylpyrrole"	"EPA_DSSTox"	"CC1=CC=C(C)N1"	"?"	"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3"	"PAPNRQCYSFBWDI-UHFFFAOYSA-N"	FALSE	FALSE	59	2	3
"625-89-8"	"DTXSID7021023"	"N-Nitrosobis(2,2,2-trifluoroethyl) amine"	"EPA_DSSTox"	"O=NN(CC(F)(F)F)CC(F)(F)F"	"?"	"InChI=1S/C4H4F6N2O/c5-3(6,7)1-12(11-13)2-4(8,9)10/h1-2H2"	"YUEXLPFBTMPXCY-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"62501-39-7"	"DTXSID2069573"	"2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5-phenyl-"	"EPA_DSSTox"	"O=C1NN=C(CO1)C1C=CC=CC=1"	"?"	"InChI=1S/C9H8N2O2/c12-9-11-10-8(6-13-9)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)"	"RUWHMZIBEYGMPG-UHFFFAOYSA-N"	FALSE	FALSE	441	2	4
"62563-80-8"	NA	NA	"Public_CrossChecked"	"CC(C)=C1CC2C(C1)C(C)=CC(CC2C)OC(C)=O"	"?"	"InChI=1S/C17H26O2/c1-10(2)14-8-16-11(3)6-15(19-13(5)18)7-12(4)17(16)9-14/h6,12,15-17H,7-9H2,1-5H3"	"UAVFEMBKDRODDE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"62571-86-2"	"DTXSID1037197"	"Captopril"	"EPA_DSSTox"	"CC(CS)C(=O)N1CCCC1C(O)=O"	"?"	"InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)"	"FAKRSMQSSFJEIM-UHFFFAOYSA-N"	FALSE	TRUE	4245	3	5
"62599-49-9"	"DTXSID00562138"	"2-(2-Methylprop-2-en-1-yl)cyclododecan-1-one"	"EPA_DSSTox"	"CC(=C)CC1CCCCCCCCCCC1=O"	"?"	"InChI=1S/C16H28O/c1-14(2)13-15-11-9-7-5-3-4-6-8-10-12-16(15)17/h15H,1,3-13H2,2H3"	"RSOBFXURUKCIKG-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"626-17-5"	"DTXSID7027259"	"1,3-Benzenedicarbonitrile"	"EPA_DSSTox"	"N#CC1C=C(C=CC=1)C#N"	"?"	"InChI=1S/C8H4N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H"	"LAQPNDIUHRHNCV-UHFFFAOYSA-N"	FALSE	FALSE	860	3	4
"626-48-2"	"DTXSID8052308"	"6-Methyluracil"	"EPA_DSSTox"	"CC1=CC(=O)NC(=O)N1"	"?"	"InChI=1S/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)"	"SHVCSCWHWMSGTE-UHFFFAOYSA-N"	FALSE	TRUE	64500	4	5
"626-82-4"	"DTXSID8060824"	"Hexanoic acid, butyl ester"	"EPA_DSSTox"	"CCCCCC(=O)OCCCC"	"?"	"InChI=1S/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3"	"RPRPDTXKGSIXMD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"62666-20-0"	"DTXSID00878140"	"PROGABIDE"	"EPA_DSSTox"	"N=C(O)CCCN=C(C1C=C(F)C=CC=1O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)"	"IBALRBWGSVJPAP-UHFFFAOYSA-N"	FALSE	FALSE	1350	3	4
"627-09-8"	"DTXSID20211757"	"2-Propyn-1-ol, acetate"	"EPA_DSSTox"	"CC(=O)OCC#C"	"?"	"InChI=1S/C5H6O2/c1-3-4-7-5(2)6/h1H,4H2,2H3"	"RIZZXCJMFIGMON-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"627-12-3"	"DTXSID7060833"	"Propyl carbamate"	"EPA_DSSTox"	"CCCOC(N)=O"	"?"	"InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)"	"YNTOKMNHRPSGFU-UHFFFAOYSA-N"	FALSE	FALSE	1877	3	4
"627-51-0"	"DTXSID10211766"	"Divinyl sulfide"	"EPA_DSSTox"	"C=CSC=C"	"?"	"InChI=1S/C4H6S/c1-3-5-4-2/h3-4H,1-2H2"	"UIYCHXAGWOYNNA-UHFFFAOYSA-N"	FALSE	FALSE	170	2	3
"627-70-3"	"DTXSID1060845"	"2-Propanone, (1-methylethylidene)hydrazone"	"EPA_DSSTox"	"CC(C)=NN=C(C)C"	"?"	"InChI=1S/C6H12N2/c1-5(2)7-8-6(3)4/h1-4H3"	"PFLUPZGCTVGDLV-UHFFFAOYSA-N"	FALSE	FALSE	423	2	4
"627-83-8"	"DTXSID6027260"	"Octadecanoic acid, 1,2-ethanediyl ester"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCC"	"?"	"InChI=1S/C38H74O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)41-35-36-42-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3"	"FPVVYTCTZKCSOJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"627-93-0"	"DTXSID8025096"	"Dimethyl adipate"	"EPA_DSSTox"	"COC(=O)CCCCC(=O)OC"	"?"	"InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3"	"UDSFAEKRVUSQDD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"6274-27-7"	"DTXSID3064194"	"Acetic acid, [(2,5-dichlorophenyl)thio]-"	"EPA_DSSTox"	"OC(=O)CSC1C=C(Cl)C=CC=1Cl"	"?"	"InChI=1S/C8H6Cl2O2S/c9-5-1-2-6(10)7(3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)"	"DCXXCTCEJFBLPD-UHFFFAOYSA-N"	FALSE	FALSE	1900	3	4
"62751-72-8"	"DTXSID30211824"	"1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, (benzoyloxy)methyl ester"	"EPA_DSSTox"	"CC1=C(CC(=O)OCOC(=O)C2C=CC=CC=2)C2=CC(=CC=C2N1C(=O)C1C=CC(Cl)=CC=1)OC"	"?"	"InChI=1S/C27H22ClNO6/c1-17-22(15-25(30)34-16-35-27(32)19-6-4-3-5-7-19)23-14-21(33-2)12-13-24(23)29(17)26(31)18-8-10-20(28)11-9-18/h3-14H,15-16H2,1-2H3"	"SPOHBRIBTFAVAK-UHFFFAOYSA-N"	FALSE	FALSE	73	2	3
"62751-73-9"	"DTXSID90211825"	"1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, ((3-methylbenzoyl)oxy)methyl ester"	"EPA_DSSTox"	"COC1C=C2C(=CC=1)N(C(=O)C1C=CC(Cl)=CC=1)C(C)=C2CC(=O)OCOC(=O)C1C=C(C)C=CC=1"	"?"	"InChI=1S/C28H24ClNO6/c1-17-5-4-6-20(13-17)28(33)36-16-35-26(31)15-23-18(2)30(25-12-11-22(34-3)14-24(23)25)27(32)19-7-9-21(29)10-8-19/h4-14H,15-16H2,1-3H3"	"YKZALGKFMFHYHE-UHFFFAOYSA-N"	FALSE	FALSE	106	2	3
"6277-14-1"	NA	NA	"Public_CrossChecked"	"CC1(C)C(CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O)OC(C)=O"	"?"	"InChI=1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)"	"FTQDJVZNPJRVPG-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"62783-48-6"	"DTXSID20211853"	"N-Methyl-N-nitroso-(2-methylphenyl)methylamine"	"EPA_DSSTox"	"CC1=CC=CC=C1CN(C)N=O"	"?"	"InChI=1S/C9H12N2O/c1-8-5-3-4-6-9(8)7-11(2)10-12/h3-6H,7H2,1-2H3"	"RRXABZCVYQNCRE-UHFFFAOYSA-N"	FALSE	FALSE	90	2	3
"62783-49-7"	"DTXSID80211854"	"N-Methyl-N-nitroso-(3-methylphenyl)methylamine"	"EPA_DSSTox"	"CC1C=CC=C(CN(C)N=O)C=1"	"?"	"InChI=1S/C9H12N2O/c1-8-4-3-5-9(6-8)7-11(2)10-12/h3-6H,7H2,1-2H3"	"LHRLXHMVKNESOE-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"62783-50-0"	"DTXSID40211855"	"N-Methyl-N-nitroso-(4-methylphenyl)methylamine"	"EPA_DSSTox"	"CC1C=CC(CN(C)N=O)=CC=1"	"?"	"InChI=1S/C9H12N2O/c1-8-3-5-9(6-4-8)7-11(2)10-12/h3-6H,7H2,1-2H3"	"SGJYQDLYKCDHNS-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"6279-87-4"	"DTXSID1073367"	"Bis(2-chloroethyl) phthalate"	"EPA_DSSTox"	"O=C(OCCCl)C1C=CC=CC=1C(=O)OCCCl"	"?"	"InChI=1S/C12H12Cl2O4/c13-5-7-17-11(15)9-3-1-2-4-10(9)12(16)18-8-6-14/h1-4H,5-8H2"	"ILSHUTZNPABZPQ-UHFFFAOYSA-N"	FALSE	FALSE	730	3	4
"628-13-7"	"DTXSID6027262"	"Pyridine hydrochloride"	"EPA_DSSTox"	"C1=CC=CC=N1"	"Cl"	"InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H"	"JUJWROOIHBZHMG-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"628-39-7"	"DTXSID5060853"	"Diselenide, diethyl"	"EPA_DSSTox"	"CC[Se][Se]CC"	"?"	"InChI=1S/C4H10Se2/c1-3-5-6-4-2/h3-4H2,1-2H3"	"OMAWWKIPXLIPDE-UHFFFAOYSA-N"	FALSE	FALSE	90	2	3
"628-63-7"	"DTXSID1027263"	"Pentyl acetate"	"EPA_DSSTox"	"CCCCCOC(C)=O"	"?"	"InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3"	"PGMYKACGEOXYJE-UHFFFAOYSA-N"	FALSE	TRUE	6500	4	5
"628-81-9"	"DTXSID7052311"	"1-Ethoxybutane"	"EPA_DSSTox"	"CCCCOCC"	"?"	"InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3"	"PZHIWRCQKBBTOW-UHFFFAOYSA-N"	FALSE	FALSE	1870	3	4
"628-87-5"	"DTXSID3041580"	"Iminodiacetonitrile"	"EPA_DSSTox"	"N#CCNCC#N"	"?"	"InChI=1S/C4H5N3/c5-1-3-7-4-2-6/h7H,3-4H2"	"BSRDNMMLQYNQQD-UHFFFAOYSA-N"	FALSE	FALSE	710	3	4
"628-89-7"	"DTXSID9060861"	"Ethanol, 2-(2-chloroethoxy)-"	"EPA_DSSTox"	"OCCOCCCl"	"?"	"InChI=1S/C4H9ClO2/c5-1-3-7-4-2-6/h6H,1-4H2"	"LECMBPWEOVZHKN-UHFFFAOYSA-N"	FALSE	TRUE	6300	4	5
"6280-15-5"	"DTXSID40211895"	"Glutaraldehyde, 3-methyl-"	"EPA_DSSTox"	"CC(CC=O)CC=O"	"?"	"InChI=1S/C6H10O2/c1-6(2-4-7)3-5-8/h4-6H,2-3H2,1H3"	"LUNMJPAJHJAGIS-UHFFFAOYSA-N"	FALSE	FALSE	780	3	4
"6280-75-7"	NA	NA	"Public_CrossChecked"	"CC(NCCNC(C)C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C18H24N2/c1-15(17-9-5-3-6-10-17)19-13-14-20-16(2)18-11-7-4-8-12-18/h3-12,15-16,19-20H,13-14H2,1-2H3"	"LVJYSFUNASCGCN-UHFFFAOYSA-N"	FALSE	FALSE	1290	3	4
"6280-99-5"	"DTXSID20862703"	"Butanedioic acid, 2-hydroxy-, 1,4-dibutyl ester"	"EPA_DSSTox"	"CCCCOC(=O)CC(O)C(=O)OCCCC"	"?"	"InChI=1S/C12H22O5/c1-3-5-7-16-11(14)9-10(13)12(15)17-8-6-4-2/h10,13H,3-9H2,1-2H3"	"PDSCSYLDRHAHOX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"62802-56-6"	"DTXSID50211902"	"1H-Benzimidazole, 1,1',1''-phosphinylidynetris-"	"EPA_DSSTox"	"C1=NC2=CC=CC=C2N1P(N1C=NC2=CC=CC=C12)N1C=NC2=CC=CC=C12"	"?"	"InChI=1S/C21H15N6P/c1-4-10-19-16(7-1)22-13-25(19)28(26-14-23-17-8-2-5-11-20(17)26)27-15-24-18-9-3-6-12-21(18)27/h1-15H"	"JCBAXUBGNAFNJK-UHFFFAOYSA-N"	FALSE	TRUE	2900	3	5
"62809-33-0"	"DTXSID50211907"	"Acetic acid, (o-(2,4-dichloro-1-naphthylamino)phenyl)-, sodium salt"	"EPA_DSSTox"	"OC(=O)CC1=CC=CC=C1NC1=C2C=CC=CC2=C(Cl)C=C1Cl"	"[Na+]"	"InChI=1S/C18H13Cl2NO2/c19-14-10-15(20)18(13-7-3-2-6-12(13)14)21-16-8-4-1-5-11(16)9-17(22)23/h1-8,10,21H,9H2,(H,22,23)"	"MEMVVLQEHWDXRM-UHFFFAOYSA-N"	FALSE	FALSE	56.2	2	3
"6283-25-6"	"DTXSID6038827"	"2-Chloro-5-nitroaniline"	"EPA_DSSTox"	"NC1=CC(=CC=C1Cl)[N+]([O-])=O"	"?"	"InChI=1S/C6H5ClN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2"	"KWIXNFOTNVKIGM-UHFFFAOYSA-N"	FALSE	TRUE	2015	3	5
"62850-32-2"	"DTXSID5058145"	"Fenothiocarb"	"EPA_DSSTox"	"CN(C)C(=O)SCCCCOC1C=CC=CC=1"	"?"	"InChI=1S/C13H19NO2S/c1-14(2)13(15)17-11-7-6-10-16-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3"	"HMIBKHHNXANVHR-UHFFFAOYSA-N"	FALSE	FALSE	1150	3	4
"6289-46-9"	"DTXSID3027617"	"Dimethyl succinylsuccinate"	"EPA_DSSTox"	"COC(=O)C1CC(=O)C(CC1=O)C(=O)OC"	"?"	"InChI=1S/C10H12O6/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h5-6H,3-4H2,1-2H3"	"MHKKFFHWMKEBDW-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"62893-20-3"	"DTXSID6045874"	"Cefoperazone sodium"	"EPA_DSSTox"	"CN1N=NN=C1SCC1CSC2C(NC(=O)C(NC(=O)N3CCN(CC)C(=O)C3=O)C3C=CC(O)=CC=3)C(=O)N2C=1C(O)=O"	"[Na+]"	"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"	FALSE	TRUE	NA	4	5
"62899-75-6"	NA	NA	"Public_CrossChecked"	"CCN(C1CCCCC1)C(=O)Cl"	"?"	"InChI=1S/C9H16ClNO/c1-2-11(9(10)12)8-6-4-3-5-7-8/h8H,2-7H2,1H3"	"ONKIPJDBUYZQMP-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"629-03-8"	"DTXSID4044452"	"1,6-Dibromohexane"	"EPA_DSSTox"	"BrCCCCCCBr"	"?"	"InChI=1S/C6H12Br2/c7-5-3-1-2-4-6-8/h1-6H2"	"SGRHVVLXEBNBDV-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"629-11-8"	"DTXSID1027265"	"1,6-Hexanediol"	"EPA_DSSTox"	"OCCCCCCO"	"?"	"InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2"	"XXMIOPMDWAUFGU-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"629-14-1"	"DTXSID5025285"	"Ethylene glycol diethyl ether"	"EPA_DSSTox"	"CCOCCOCC"	"?"	"InChI=1S/C6H14O2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3"	"LZDKZFUFMNSQCJ-UHFFFAOYSA-N"	FALSE	TRUE	4390	3	5
"629-15-2"	"DTXSID4060866"	"1,2-Ethanediol, 1,2-diformate"	"EPA_DSSTox"	"O=COCCOC=O"	"?"	"InChI=1S/C4H6O4/c5-3-7-1-2-8-4-6/h3-4H,1-2H2"	"IKCQWKJZLSDDSS-UHFFFAOYSA-N"	FALSE	FALSE	1510	3	4
"629-17-4"	NA	NA	"Public_CrossChecked"	"N#CSCCSC#N"	"?"	"InChI=1S/C4H4N2S2/c5-3-7-1-2-8-4-6/h1-2H2"	"LILPOSVDSDEBCD-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"629-33-4"	"DTXSID8060870"	"Formic acid, hexyl ester"	"EPA_DSSTox"	"CCCCCCOC=O"	"?"	"InChI=1S/C7H14O2/c1-2-3-4-5-6-9-7-8/h7H,2-6H2,1H3"	"OUGPMNMLWKSBRI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"629-38-9"	NA	NA	"Public_CrossChecked"	"COCCOCCOC(C)=O"	"?"	"InChI=1S/C7H14O4/c1-7(8)11-6-5-10-4-3-9-2/h3-6H2,1-2H3"	"BJINVQNEBGOMCR-UHFFFAOYSA-N"	FALSE	TRUE	11960	4	5
"629-40-3"	"DTXSID7022097"	"1,6-Dicyanohexane"	"EPA_DSSTox"	"N#CCCCCCCC#N"	"?"	"InChI=1S/C8H12N2/c9-7-5-3-1-2-4-6-8-10/h1-6H2"	"BTNXBLUGMAMSSH-UHFFFAOYSA-N"	FALSE	FALSE	238	2	3
"629-50-5"	"DTXSID6027266"	"Tridecane"	"EPA_DSSTox"	"CCCCCCCCCCCCC"	"?"	"InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3"	"IIYFAKIEWZDVMP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"629-59-4"	"DTXSID1027267"	"Tetradecane"	"EPA_DSSTox"	"CCCCCCCCCCCCCC"	"?"	"InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3"	"BGHCVCJVXZWKCC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"629-70-9"	"DTXSID2052312"	"Hexadecyl acetate"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCOC(C)=O"	"?"	"InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h3-17H2,1-2H3"	"LSTDYDRCKUBPDI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"629-82-3"	"DTXSID20862324"	"Dicaprylyl ether"	"EPA_DSSTox"	"CCCCCCCCOCCCCCCCC"	"?"	"InChI=1S/C16H34O/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3"	"NKJOXAZJBOMXID-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"629-96-9"	"DTXSID0027272"	"1-Eicosanol"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCCCCO"	"?"	"InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3"	"BTFJIXJJCSYFAL-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"6291-84-5"	"DTXSID5064201"	"N-Methyl-1,3-propanediamine"	"EPA_DSSTox"	"CNCCCN"	"?"	"InChI=1S/C4H12N2/c1-6-4-2-3-5/h6H,2-5H2,1H3"	"QHJABUZHRJTCAR-UHFFFAOYSA-N"	FALSE	FALSE	951	3	4
"62924-70-3"	"DTXSID7032553"	"Flumetralin"	"EPA_DSSTox"	"CCN(CC1C(Cl)=CC=CC=1F)C1C(=CC(=CC=1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O"	"?"	"InChI=1S/C16H12ClF4N3O4/c1-2-22(8-10-11(17)4-3-5-12(10)18)15-13(23(25)26)6-9(16(19,20)21)7-14(15)24(27)28/h3-7H,2,8H2,1H3"	"PWNAWOCHVWERAR-UHFFFAOYSA-N"	FALSE	TRUE	3100	3	5
"6294-52-6"	"DTXSID6073368"	"2-Benzothiazolamine, 5,6-dimethoxy-"	"EPA_DSSTox"	"[H]/N=C1\NC2=CC(OC)=C(C=C2S\1)OC"	"?"	"InChI=1S/C9H10N2O2S/c1-12-6-3-5-8(4-7(6)13-2)14-9(10)11-5/h3-4H,1-2H3,(H2,10,11)"	"KJRDZJGBIBLGKB-UHFFFAOYSA-N"	FALSE	FALSE	1165	3	4
"6294-79-7"	"DTXSID40212145"	"s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-diallyl-"	"EPA_DSSTox"	"C=CCN1C(=O)NC(=O)N(CC=C)C1=O"	"?"	"InChI=1S/C9H11N3O3/c1-3-5-11-7(13)10-8(14)12(6-4-2)9(11)15/h3-4H,1-2,5-6H2,(H,10,13,14)"	"UCBVELLBUAKUNE-UHFFFAOYSA-N"	FALSE	FALSE	930	3	4
"62965-37-1"	"DTXSID60585045"	"N-[(Benzyloxy)carbonyl]-3-methyl-L-valine--N-cyclohexylcyclohexanamine (1/1)"	"EPA_DSSTox"	"CC(C)(C)C(NC(=O)OCC1C=CC=CC=1)C(O)=O"	"N(C1CCCCC1)C1CCCCC1"	"InChI=1S/C14H19NO4/c1-14(2,3)11(12(16)17)15-13(18)19-9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)"	"NSVNKQLSGGKNKB-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"62987-05-7"	NA	NA	"Public_CrossChecked"	"O=c1[n](cc(F)c(=O)[n]1C1CCCO1)C1CCCO1"	"?"	"InChI=1S/C12H15FN2O4/c13-8-7-14(9-3-1-5-18-9)12(17)15(11(8)16)10-4-2-6-19-10/h7,9-10H,1-6H2"	"FLMBDTNCANYTCP-UHFFFAOYSA-N"	FALSE	FALSE	1730	3	4
"63-25-2"	"DTXSID9020247"	"Carbaryl"	"EPA_DSSTox"	"CNC(=O)OC1=CC=CC2C=CC=CC=21"	"?"	"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"	FALSE	FALSE	230	2	3
"63-42-3"	"DTXSID2023193"	"Lactose"	"EPA_DSSTox"	"OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O"	"?"	"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2"	"GUBGYTABKSRVRQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"63-68-3"	"DTXSID5040548"	"L-Methionine"	"EPA_DSSTox"	"CSCCC(N)C(O)=O"	"?"	"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)"	"FFEARJCKVFRZRR-UHFFFAOYSA-N"	FALSE	TRUE	36000	4	5
"63-74-1"	"DTXSID4023622"	"Sulfanilamide"	"EPA_DSSTox"	"NC1C=CC(=CC=1)S(N)(=O)=O"	"?"	"InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)"	"FDDDEECHVMSUSB-UHFFFAOYSA-N"	FALSE	TRUE	3900	3	5
"63-75-2"	"DTXSID3022617"	"Arecoline"	"EPA_DSSTox"	"CN1CC(=CCC1)C(=O)OC"	"?"	"InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3"	"HJJPJSXJAXAIPN-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"63-98-9"	"DTXSID6023442"	"Phenacemide"	"EPA_DSSTox"	"NC(=O)NC(=O)CC1C=CC=CC=1"	"?"	"InChI=1S/C9H10N2O2/c10-9(13)11-8(12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13)"	"XPFRXWCVYUEORT-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"63-99-0"	"DTXSID1075351"	"Urea, (3-methylphenyl)-"	"EPA_DSSTox"	"CC1C=C(C=CC=1)NC(N)=O"	"?"	"InChI=1S/C8H10N2O/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)"	"UVQVMNIYFXZXCI-UHFFFAOYSA-N"	FALSE	FALSE	1330	3	4
"630-10-4"	"DTXSID4024303"	"Selenourea"	"EPA_DSSTox"	"NC(N)=[Se]"	"?"	"InChI=1S/CH4N2Se/c2-1(3)4/h(H4,2,3,4)"	"IYKVLICPFCEZOF-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"630-20-6"	"DTXSID2021317"	"1,1,1,2-Tetrachloroethane"	"EPA_DSSTox"	"ClCC(Cl)(Cl)Cl"	"?"	"InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2"	"QVLAWKAXOMEXPM-UHFFFAOYSA-N"	FALSE	FALSE	670	3	4
"630-93-3"	"DTXSID2023775"	"Diphenylhydantoin sodium"	"EPA_DSSTox"	"O=C1NC(=O)C(N1)(C1C=CC=CC=1)C1C=CC=CC=1"	"[Na+]"	"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"	FALSE	FALSE	1530	3	4
"63007-70-5"	"DTXSID80212225"	"Acetic acid, 2-(3-chloro-4-(cyclopropylmethoxy)phenyl)-, lysine salt (D,L)"	"EPA_DSSTox"	"OC(=O)CC1C=C(Cl)C(=CC=1)OCC1CC1"	"OC(=O)[C@@H](N)CCCCN"	"InChI=1S/C12H13ClO3/c13-10-5-9(6-12(14)15)3-4-11(10)16-7-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,14,15)"	"AWCDXHYQCJPTTH-UHFFFAOYSA-N"	FALSE	FALSE	895	3	4
"63039-90-7"	NA	NA	"Public_CrossChecked"	"CCC(=O)OC1(CCN(C)CC1CC)C1C=CC=CC=1"	"Cl"	"InChI=1S/C17H25NO2/c1-4-14-13-18(3)12-11-17(14,20-16(19)5-2)15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3"	"ODEGQXRCQDVXSJ-UHFFFAOYSA-N"	FALSE	FALSE	175	2	3
"6305-04-0"	"DTXSID3075258"	"Ethanone, 2-chloro-1-(4-hydroxyphenyl)-"	"EPA_DSSTox"	"OC1=CC=C(C=C1)C(=O)CCl"	"?"	"InChI=1S/C8H7ClO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2"	"PPPIAEPDQPCIIM-UHFFFAOYSA-N"	FALSE	FALSE	230	2	3
"6307-82-0"	"DTXSID90212397"	"Benzoic acid, 2-chloro-5-nitro-, methyl ester"	"EPA_DSSTox"	"COC(=O)C1=CC(=CC=C1Cl)[N+]([O-])=O"	"?"	"InChI=1S/C8H6ClNO4/c1-14-8(11)6-4-5(10(12)13)2-3-7(6)9/h2-4H,1H3"	"VCYWZLGOWNCJNJ-UHFFFAOYSA-N"	FALSE	TRUE	5360	4	5
"631-06-1"	NA	NA	"Public_CrossChecked"	"C1OC(OC1C1CCCCN1)(C1=CC=CC=C1)C1=CC=CC=C1"	"Cl"	"InChI=1S/C20H23NO2/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)22-15-19(23-20)18-13-7-8-14-21-18/h1-6,9-12,18-19,21H,7-8,13-15H2"	"HGKAMARNFGKMLC-UHFFFAOYSA-N"	FALSE	FALSE	280	2	3
"631-27-6"	"DTXSID2048822"	"Glyclopyramide"	"EPA_DSSTox"	"O=C(NN1CCCC1)NS(=O)(=O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C11H14ClN3O3S/c12-9-3-5-10(6-4-9)19(17,18)14-11(16)13-15-7-1-2-8-15/h3-6H,1-2,7-8H2,(H2,13,14,16)"	"HNSCCNJWTJUGNQ-UHFFFAOYSA-N"	FALSE	TRUE	4100	3	5
"631-41-4"	"DTXSID90883344"	"Ethanaminium, 2-hydroxy-N,N,N-tris(2-hydroxyethyl)-, hydroxide (1:1)"	"EPA_DSSTox"	"OCC[N+](CCO)(CCO)CCO"	"[OH-]"	"InChI=1S/C8H20NO4/c10-5-1-9(2-6-11,3-7-12)4-8-13/h10-13H,1-8H2/q+1"	"MRKAVJXPGLUQKP-UHFFFAOYSA-N"	FALSE	TRUE	2250	3	5
"631-61-8"	"DTXSID5023873"	"Ammonium acetate"	"EPA_DSSTox"	"CC(O)=O"	"[NH4+]"	"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)"	"QTBSBXVTEAMEQO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"631-93-6"	"DTXSID10212435"	"Benzenesulfonanilide, 4,4'-dichloro-N-methyl-"	"EPA_DSSTox"	"CN(C1C=CC(Cl)=CC=1)S(=O)(=O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C13H11Cl2NO2S/c1-16(12-6-2-10(14)3-7-12)19(17,18)13-8-4-11(15)5-9-13/h2-9H,1H3"	"UXBUOQYOERKCRY-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"63123-39-7"	"DTXSID9069685"	"Ethanethioic acid, S-[2-(2-benzothiazolylamino)-2-oxoethyl] ester"	"EPA_DSSTox"	"CC(=O)SCC(=O)/N=C1\NC2C=CC=CC=2S\1"	"?"	"InChI=1S/C11H10N2O2S2/c1-7(14)16-6-10(15)13-11-12-8-4-2-3-5-9(8)17-11/h2-5H,6H2,1H3,(H,12,13,15)"	"GQPQOIREORTKLO-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"6317-18-6"	"DTXSID8025599"	"Methylene bis(thiocyanate)"	"EPA_DSSTox"	"N#CSCSC#N"	"?"	"InChI=1S/C3H2N2S2/c4-1-6-3-7-2-5/h3H2"	"JWZXKXIUSSIAMR-UHFFFAOYSA-N"	FALSE	FALSE	55	2	3
"63170-60-5"	NA	NA	"Public_CrossChecked"	"CC1=C(CC(=O)OC(C)C2C=CC=CC=2)C2C=C(C=CC=2N1C(=O)C1C=CC(Cl)=CC=1)OC"	"?"	"InChI=1S/C27H24ClNO4/c1-17-23(16-26(30)33-18(2)19-7-5-4-6-8-19)24-15-22(32-3)13-14-25(24)29(17)27(31)20-9-11-21(28)12-10-20/h4-15,18H,16H2,1-3H3"	"KYNSOZVURQLGOK-UHFFFAOYSA-N"	FALSE	FALSE	425	2	4
"6320-14-5"	"DTXSID7052315"	"C.I.Basic Red 12"	"EPA_DSSTox"	"CC1(C)/C(=C/C=C/C2=[N+](C)C3=CC=CC=C3C2(C)C)/N(C)C2=CC=CC=C12"	"[Cl-]"	"InChI=1S/C25H29N2/c1-24(2)18-12-7-9-14-20(18)26(5)22(24)16-11-17-23-25(3,4)19-13-8-10-15-21(19)27(23)6/h7-17H,1-6H3/q+1"	"VNUWMMGQKKIMQY-UHFFFAOYSA-N"	TRUE	FALSE	18	1	2
"63233-46-5"	"DTXSID70212613"	"2-(4-Butyrylamino-2-nitrobenzyl)pyridine"	"EPA_DSSTox"	"CCCC(=O)NC1C=C(C(CC2=CC=CC=N2)=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C16H17N3O3/c1-2-5-16(20)18-14-8-7-12(15(11-14)19(21)22)10-13-6-3-4-9-17-13/h3-4,6-9,11H,2,5,10H2,1H3,(H,18,20)"	"CZKQVCYQBJJAGG-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"63233-54-5"	"DTXSID90212615"	"Octanamide, N-(3-nitro-4-(2-pyridinylmethyl)phenyl)-"	"EPA_DSSTox"	"CCCCCCCC(=O)NC1C=C(C(CC2=CC=CC=N2)=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C20H25N3O3/c1-2-3-4-5-6-10-20(24)22-18-12-11-16(19(15-18)23(25)26)14-17-9-7-8-13-21-17/h7-9,11-13,15H,2-6,10,14H2,1H3,(H,22,24)"	"RCYAWNULQXJOCU-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"63233-55-6"	"DTXSID50212616"	"Decanamide, N-(3-nitro-4-(2-pyridinylmethyl)phenyl)-"	"EPA_DSSTox"	"CCCCCCCCCC(=O)NC1C=C(C(CC2=CC=CC=N2)=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C22H29N3O3/c1-2-3-4-5-6-7-8-12-22(26)24-20-14-13-18(21(17-20)25(27)28)16-19-11-9-10-15-23-19/h9-11,13-15,17H,2-8,12,16H2,1H3,(H,24,26)"	"KHXPDEAOWXJGLT-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"63233-56-7"	"DTXSID10212617"	"Tetradecanamide, N-(3-nitro-4-(2-pyridinylmethyl)phenyl)-"	"EPA_DSSTox"	"CCCCCCCCCCCCCC(=O)NC1C=C(C(CC2=CC=CC=N2)=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C26H37N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-26(30)28-24-18-17-22(25(21-24)29(31)32)20-23-15-13-14-19-27-23/h13-15,17-19,21H,2-12,16,20H2,1H3,(H,28,30)"	"ALIKHWUSVOHAJN-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"63250-48-6"	NA	NA	"Public_CrossChecked"	"CCN1C(=CC(=O)OCC)SC(C1=O)N1CCCCC1"	"?"	"InChI=1S/C14H22N2O3S/c1-3-16-11(10-12(17)19-4-2)20-14(13(16)18)15-8-6-5-7-9-15/h10,14H,3-9H2,1-2H3"	"UAXYBJSAPFTPNB-UHFFFAOYSA-N"	FALSE	TRUE	3256	3	5
"63278-33-1"	"DTXSID8069806"	".alpha.-[(Cyanomethoxy)imino]benzeneacetonitrile"	"EPA_DSSTox"	"N#CC(=NOCC#N)C1C=CC=CC=1"	"?"	"InChI=1S/C10H7N3O/c11-6-7-14-13-10(8-12)9-4-2-1-3-5-9/h1-5H,7H2"	"PYKLUAIDKVVEOS-UHFFFAOYSA-N"	FALSE	TRUE	2277	3	5
"633-59-0"	"DTXSID60110058"	"Clopenthixol dihydrochloride"	"EPA_DSSTox"	"OCCN1CCN(CCC=C2C3C=CC=CC=3SC3C=CC(Cl)=CC=32)CC1"	"Cl.Cl"	"InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2"	"WFPIAZLQTJBIFN-UHFFFAOYSA-N"	FALSE	FALSE	660	3	4
"633-65-8"	"DTXSID8024602"	"Berberine chloride"	"EPA_DSSTox"	"COC1C2C=[N+]3CCC4C=C5OCOC5=CC=4C3=CC=2C=CC=1OC"	"[Cl-]"	"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1"	"YBHILYKTIRIUTE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"633-99-8"	"DTXSID50212691"	"1-Chloro-2-naphthol"	"EPA_DSSTox"	"OC1C=CC2=CC=CC=C2C=1Cl"	"?"	"InChI=1S/C10H7ClO/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6,12H"	"RMSOEGBYNWXXBG-UHFFFAOYSA-N"	FALSE	TRUE	2310	3	5
"6330-25-2"	"DTXSID10212692"	"2-Cyano-N-methylacetamide"	"EPA_DSSTox"	"CNC(=O)CC#N"	"?"	"InChI=1S/C4H6N2O/c1-6-4(7)2-3-5/h2H2,1H3,(H,6,7)"	"LIHUTSFYFGCWQP-UHFFFAOYSA-N"	FALSE	FALSE	387	2	4
"6331-96-0"	"DTXSID5074921"	"Benzenesulfonic acid, 2-amino-4,5-dichloro-"	"EPA_DSSTox"	"NC1C=C(Cl)C(Cl)=CC=1S(O)(=O)=O"	"?"	"InChI=1S/C6H5Cl2NO3S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H,9H2,(H,10,11,12)"	"AKLDPNVZTZIVFA-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"63333-35-7"	"DTXSID8032590"	"Bromethalin"	"EPA_DSSTox"	"CN(C1C(Br)=CC(Br)=CC=1Br)C1C(=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O)C(F)(F)F"	"?"	"InChI=1S/C14H7Br3F3N3O4/c1-21(13-9(16)2-6(15)3-10(13)17)12-8(14(18,19)20)4-7(22(24)25)5-11(12)23(26)27/h2-5H,1H3"	"USMZPYXTVKAYST-UHFFFAOYSA-N"	TRUE	FALSE	2	1	1
"6334-25-4"	"DTXSID40212726"	"N,N,N',N'-Tetrakis(2-hydroxyethyl)hexanediamide"	"EPA_DSSTox"	"OCCN(CCO)C(=O)CCCCC(=O)N(CCO)CCO"	"?"	"InChI=1S/C14H28N2O6/c17-9-5-15(6-10-18)13(21)3-1-2-4-14(22)16(7-11-19)8-12-20/h17-20H,1-12H2"	"OKRNLSUTBJUVKA-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"6336-01-2"	"DTXSID50212752"	"Urea, 1-butyl-3-phenyl-2-thio-"	"EPA_DSSTox"	"CCCCNC(=S)NC1C=CC=CC=1"	"?"	"InChI=1S/C11H16N2S/c1-2-3-9-12-11(14)13-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,12,13,14)"	"MXLMUGKRDLWVJZ-UHFFFAOYSA-N"	FALSE	FALSE	150	2	3
"63365-44-6"	NA	NA	"Public_CrossChecked"	"CNC1C=CC=C(NC(=O)C(O)=O)C=1C#N"	"[Na+]"	"InChI=1S/C10H9N3O3/c1-12-7-3-2-4-8(6(7)5-11)13-9(14)10(15)16/h2-4,12H,1H3,(H,13,14)(H,15,16)"	"QHHSUAVLEGXSDI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"634-55-9"	NA	NA	"Public_CrossChecked"	"CC(=O)C(C#N)C(=O)OCC"	"?"	"InChI=1S/C7H9NO3/c1-3-11-7(10)6(4-8)5(2)9/h6H,3H2,1-2H3"	"NWOKVFOTWMZMHL-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"634-66-2"	"DTXSID6026088"	"1,2,3,4-Tetrachlorobenzene"	"EPA_DSSTox"	"ClC1C=CC(Cl)=C(Cl)C=1Cl"	"?"	"InChI=1S/C6H2Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H"	"GBDZXPJXOMHESU-UHFFFAOYSA-N"	FALSE	FALSE	1167	3	4
"634-90-2"	"DTXSID1026089"	"1,2,3,5-Tetrachlorobenzene"	"EPA_DSSTox"	"ClC1C=C(Cl)C=C(Cl)C=1Cl"	"?"	"InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)5(9)2-3/h1-2H"	"QZYNWJQFTJXIRN-UHFFFAOYSA-N"	FALSE	FALSE	1727	3	4
"634-93-5"	"DTXSID6021379"	"2,4,6-Trichloroaniline"	"EPA_DSSTox"	"NC1C(Cl)=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C6H4Cl3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2"	"NATVSFWWYVJTAZ-UHFFFAOYSA-N"	FALSE	TRUE	2400	3	5
"63429-28-7"	NA	NA	"Public_CrossChecked"	"CC1CCCC(C)(C)C=1C=CC(=O)CC"	"?"	"InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7,10H2,1-4H3"	"LMWNGLDCJDIIBR-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"63449-39-8"	NA	NA	"Public_CrossChecked"	"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"	FALSE	TRUE	NA	NA	5
"63449-80-9"	NA	NA	"Public_CrossChecked"	"CCCCC(COP(=O)(Cl)OCC(CCCC)CC)CC"	"?"	"InChI=1S/C16H34ClO3P/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3"	"KAUDXYPROPQHMN-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"63451-45-6"	"DTXSID8069856"	"Phosphoric acid, 2,2-bis(hydroxymethyl)-1,3-propanediyl tetrakis(2-chloroethyl) ester"	"EPA_DSSTox"	"OCC(COP(=O)(OCCCl)OCCCl)(COP(=O)(OCCCl)OCCCl)CO"	"?"	"InChI=1S/C13H26Cl4O10P2/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/h18-19H,1-12H2"	"HDYKSDOJZARVPT-UHFFFAOYSA-N"	FALSE	TRUE	4915	3	5
"63498-62-4"	"DTXSID90212897"	"Benzene, 1,3-dimethyl-, hexachloro deriv."	"EPA_DSSTox"	"CC1C(Cl)=C(Cl)C(Cl)=C(C(Cl)Cl)C=1Cl"	"?"	"InChI=1S/C8H4Cl6/c1-2-4(9)3(8(13)14)6(11)7(12)5(2)10/h8H,1H3"	"FELFPQNGHZHHDD-UHFFFAOYSA-N"	FALSE	TRUE	2924	3	5
"635-22-3"	"DTXSID7052319"	"4-Chloro-3-nitroaniline"	"EPA_DSSTox"	"NC1=CC(=C(Cl)C=C1)[N+]([O-])=O"	"?"	"InChI=1S/C6H5ClN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2"	"FOHHWGVAOVDVLP-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"635-41-6"	"DTXSID8023713"	"Trimetozine"	"EPA_DSSTox"	"COC1C=C(C=C(OC)C=1OC)C(=O)N1CCOCC1"	"?"	"InChI=1S/C14H19NO5/c1-17-11-8-10(9-12(18-2)13(11)19-3)14(16)15-4-6-20-7-5-15/h8-9H,4-7H2,1-3H3"	"XWVOEFLBOSSYGM-UHFFFAOYSA-N"	FALSE	FALSE	1800	3	4
"63516-07-4"	"DTXSID3048655"	"Flutropium bromide"	"EPA_DSSTox"	"C[N+]1(CCF)C2CC(CC1CC2)OC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1"	"[Br-]"	"InChI=1S/C24H29FNO3/c1-26(15-14-25)20-12-13-21(26)17-22(16-20)29-23(27)24(28,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-22,28H,12-17H2,1H3/q+1"	"OATDVDIMNNZTEY-UHFFFAOYSA-N"	FALSE	FALSE	740	3	4
"63578-18-7"	"DTXSID0073588"	"Silane, trimethyl(1-oxohexyl)-"	"EPA_DSSTox"	"CCCCCC(=O)[Si](C)(C)C"	"?"	"InChI=1S/C9H20OSi/c1-5-6-7-8-9(10)11(2,3)4/h5-8H2,1-4H3"	"NUOQWZSQJBNJKS-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"6358-37-8"	"DTXSID90863747"	"Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[N-(4-methylphenyl)-3-oxo-"	"EPA_DSSTox"	"CC(=O)C(N=NC1=CC=C(C=C1Cl)C1=CC(Cl)=C(C=C1)N=NC(C(=O)NC1C=CC(C)=CC=1)C(C)=O)C(=O)NC1C=CC(C)=CC=1"	"?"	"InChI=1S/C34H30Cl2N6O4/c1-19-5-11-25(12-6-19)37-33(45)31(21(3)43)41-39-29-15-9-23(17-27(29)35)24-10-16-30(28(36)18-24)40-42-32(22(4)44)34(46)38-26-13-7-20(2)8-14-26/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46)"	"UCUHCYVCVYRSER-UHFFFAOYSA-N"	FALSE	TRUE	2228	3	5
"6358-85-6"	"DTXSID1021451"	"C.I. Pigment Yellow 12"	"EPA_DSSTox"	"CC(=O)C(N=NC1C=CC(=CC=1Cl)C1=CC(Cl)=C(C=C1)N=NC(C(=O)NC1C=CC=CC=1)C(C)=O)C(=O)NC1C=CC=CC=1"	"?"	"InChI=1S/C32H26Cl2N6O4/c1-19(41)29(31(43)35-23-9-5-3-6-10-23)39-37-27-15-13-21(17-25(27)33)22-14-16-28(26(34)18-22)38-40-30(20(2)42)32(44)36-24-11-7-4-8-12-24/h3-18,29-30H,1-2H3,(H,35,43)(H,36,44)"	"GNCOVOVCHIHPHP-UHFFFAOYSA-N"	FALSE	TRUE	2228	3	5
"63580-68-7"	"DTXSID50212959"	"Carbamodithioic acid, dimethyl-, ((diethoxyphosphinothioyl)thio)methyl ester"	"EPA_DSSTox"	"CN(C)C(=S)SCSP(=S)(OCC)OCC"	"?"	"InChI=1S/C8H18NO2PS4/c1-5-10-12(14,11-6-2)16-7-15-8(13)9(3)4/h5-7H2,1-4H3"	"ACAQBVFQWQYTAB-UHFFFAOYSA-N"	FALSE	FALSE	150	2	3
"636-70-4"	"DTXSID20883519"	"Ethanamine, N,N-diethyl-, hydrobromide (1:1)"	"EPA_DSSTox"	"CCN(CC)CC"	"Br"	"InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3"	"ZMANZCXQSJIPKH-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"6360-54-9"	"DTXSID4064260"	"C.I. Direct Brown 154, disodium salt"	"EPA_DSSTox"	"CC1=CC(=CC(=C1O)C(O)=O)N=NC1C=CC(=CC=1)C1C=CC(=CC=1)N=NC1C(N)=C(C=C(C)C=1N)N=NC1C=CC(=CC=1)S(O)(=O)=O"	"[Na+].[Na+]"	"InChI=1S/C33H28N8O6S/c1-18-16-28(40-37-24-11-13-26(14-12-24)48(45,46)47)30(35)31(29(18)34)41-38-23-9-5-21(6-10-23)20-3-7-22(8-4-20)36-39-25-15-19(2)32(42)27(17-25)33(43)44/h3-17,42H,34-35H2,1-2H3,(H,43,44)(H,45,46,47)"	"TULWTLIFUVHUDG-UHFFFAOYSA-N"	FALSE	TRUE	9960	4	5
"63605-45-8"	"DTXSID80212987"	"3-Benzofuranethanimidamide, 2-ethyl-N-hydroxy-N'-(2-(4-morpholinyl)ethyl)-"	"EPA_DSSTox"	"CCC1OC2=CC=CC=C2C=1C/C(/NO)=N/CCN1CCOCC1"	"?"	"InChI=1S/C18H25N3O3/c1-2-16-15(14-5-3-4-6-17(14)24-16)13-18(20-22)19-7-8-21-9-11-23-12-10-21/h3-6,22H,2,7-13H2,1H3,(H,19,20)"	"JYXQXKHTALMLNI-UHFFFAOYSA-N"	FALSE	FALSE	1900	3	4
"6361-21-3"	"DTXSID8022240"	"2-Chloro-5-nitrobenzaldehyde"	"EPA_DSSTox"	"[O-][N+](=O)C1C=C(C=O)C(Cl)=CC=1"	"?"	"InChI=1S/C7H4ClNO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-4H"	"VFVHWCKUHAEDMY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"63612-50-0"	"DTXSID3034165"	"Nilutamide"	"EPA_DSSTox"	"CC1(C)NC(=O)N(C1=O)C1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F"	"?"	"InChI=1S/C12H10F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20)"	"XWXYUMMDTVBTOU-UHFFFAOYSA-N"	FALSE	FALSE	195	2	3
"6362-80-7"	"DTXSID3044253"	"alpha-(2-Methyl-2-phenylpropyl)styrene"	"EPA_DSSTox"	"CC(C)(CC(=C)C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C18H20/c1-15(16-10-6-4-7-11-16)14-18(2,3)17-12-8-5-9-13-17/h4-13H,1,14H2,2-3H3"	"ZOKCNEIWFQCSCM-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"63638-90-4"	NA	NA	"Public_CrossChecked"	"COC1=CC(Br)=C2OC(=CC2=C1)C1CCNCC1"	"Cl"	"InChI=1S/C14H16BrNO2/c1-17-11-6-10-7-13(9-2-4-16-5-3-9)18-14(10)12(15)8-11/h6-9,16H,2-5H2,1H3"	"WZXHSWVDAYOFPE-UHFFFAOYSA-N"	FALSE	FALSE	310	2	4
"63638-93-7"	"DTXSID70213009"	"4-Piperidinol, 4-(4-chlorophenyl)-, hydrochloride"	"EPA_DSSTox"	"OC1(CCNCC1)C1C=CC(Cl)=CC=1"	"Cl"	"InChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2"	"LZAYOZUFUAMFLD-UHFFFAOYSA-N"	FALSE	FALSE	465	2	4
"63659-19-8"	NA	NA	"Public_CrossChecked"	"CC(C)NCC(O)COC1=CC=C(CCOCC2CC2)C=C1"	"Cl"	"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"	FALSE	FALSE	998	3	4
"637-32-1"	"DTXSID7047776"	"Proguanil hydrochloride"	"EPA_DSSTox"	"[H]/N=C(\NC1C=CC(Cl)=CC=1)/N/C(/NC(C)C)=N/[H]"	"Cl"	"InChI=1S/C11H16ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H5,13,14,15,16,17)"	"SSOLNOMRVKKSON-UHFFFAOYSA-N"	FALSE	FALSE	58	2	3
"637-50-3"	"DTXSID2060919"	"Propenylbenzene"	"EPA_DSSTox"	"CC=CC1C=CC=CC=1"	"?"	"InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3"	"QROGIFZRVHSFLM-UHFFFAOYSA-N"	FALSE	TRUE	3600	3	5
"637-53-6"	"DTXSID1060920"	"Thioacetanilide"	"EPA_DSSTox"	"CC(=S)NC1C=CC=CC=1"	"?"	"InChI=1S/C8H9NS/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)"	"MWCGLTCRJJFXKR-UHFFFAOYSA-N"	FALSE	TRUE	2635	3	5
"637-56-9"	"DTXSID6060923"	"p-Ethoxyaniline hydrochloride"	"EPA_DSSTox"	"CCOC1C=CC(N)=CC=1"	"Cl"	"InChI=1S/C8H11NO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2,9H2,1H3"	"IMPPGHMHELILKG-UHFFFAOYSA-N"	FALSE	TRUE	2080	3	5
"637-60-5"	"DTXSID90883521"	"Hydrazine, (4-methylphenyl)-, hydrochloride (1:1)"	"EPA_DSSTox"	"CC1=CC=C(C=C1)NN"	"Cl"	"InChI=1S/C7H10N2/c1-6-2-4-7(9-8)5-3-6/h2-5,9H,8H2,1H3"	"XAMBIJWZVIZZOG-UHFFFAOYSA-N"	FALSE	FALSE	262	2	3
"637-92-3"	"DTXSID0025604"	"2-Methyl-2-ethoxypropane"	"EPA_DSSTox"	"CCOC(C)(C)C"	"?"	"InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3"	"NUMQCACRALPSHD-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"63704-66-5"	NA	NA	"Public_CrossChecked"	"CC(C)=CCC(CCN1CCCC1)(C(N)=O)C1C=CC=C2C=CC=CC2=1"	"?"	"InChI=1S/C23H30N2O/c1-18(2)12-13-23(22(24)26,14-17-25-15-5-6-16-25)21-11-7-9-19-8-3-4-10-20(19)21/h3-4,7-12H,5-6,13-17H2,1-2H3,(H2,24,26)"	"HOCKJJPTFSEXEJ-UHFFFAOYSA-N"	FALSE	FALSE	71	2	3
"63716-10-9"	NA	NA	"Public_CrossChecked"	"CCOCCOCC(C)O"	"?"	"InChI=1S/C7H16O3/c1-3-9-4-5-10-6-7(2)8/h7-8H,3-6H2,1-2H3"	"IIZSMBZRUMDQGD-UHFFFAOYSA-N"	FALSE	TRUE	9330	4	5
"63716-31-4"	NA	NA	"Public_CrossChecked"	"CCCCN1C2=CC=C(N)C=C2C2C=CC=CC1=2"	"[Cl-]"	"InChI=1S/C16H18N2/c1-2-3-10-18-15-7-5-4-6-13(15)14-11-12(17)8-9-16(14)18/h4-9,11H,2-3,10,17H2,1H3"	"KJCWVKRTYSMRBA-UHFFFAOYSA-N"	FALSE	FALSE	946	3	4
"63716-32-5"	NA	NA	"Public_CrossChecked"	"CCOC1C=C2C3CCCCC3=NC2=CC=1N"	"[Cl-]"	"InChI=1S/C14H18N2O/c1-2-17-14-7-10-9-5-3-4-6-12(9)16-13(10)8-11(14)15/h7-9H,2-6,15H2,1H3"	"HUKMBDHMDIXMDS-UHFFFAOYSA-N"	FALSE	FALSE	810	3	4
"63716-33-6"	NA	NA	"Public_CrossChecked"	"CCN1C2C=CC(N)=CC=2C2CCCCC1=2"	"[Cl-]"	"InChI=1S/C14H18N2/c1-2-16-13-6-4-3-5-11(13)12-9-10(15)7-8-14(12)16/h7-9H,2-6,15H2,1H3"	"OWFDXPHKJHNJNF-UHFFFAOYSA-N"	FALSE	FALSE	198	2	3
"63716-34-7"	NA	NA	"Public_CrossChecked"	"NC1C=C2C3CCCCC3NC2=CC=1"	"Cl"	"InChI=1S/C12H16N2/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7,9,11,14H,1-4,13H2"	"KJPSTPLYLNVOAA-UHFFFAOYSA-N"	FALSE	FALSE	275	2	3
"63716-35-8"	NA	NA	"Public_CrossChecked"	"NC1=CC2NC3=CC=CC=C3C=2C=C1"	"[Cl-]"	"InChI=1S/C12H10N2/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7,14H,13H2"	"IGLKULAEHPBIJL-UHFFFAOYSA-N"	FALSE	FALSE	964	3	4
"63716-36-9"	NA	NA	"Public_CrossChecked"	"NC1=CC2C3=CC=CC=C3NC=2C=C1"	"[Cl-]"	"InChI=1S/C12H10N2/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H,13H2"	"LRSYZHFYNDZXMU-UHFFFAOYSA-N"	FALSE	FALSE	1517	3	4
"63716-37-0"	NA	NA	"Public_CrossChecked"	"CN1C2C=C(N)C=CC=2C2CCCCC1=2"	"[Cl-]"	"InChI=1S/C13H16N2/c1-15-12-5-3-2-4-10(12)11-7-6-9(14)8-13(11)15/h6-8H,2-5,14H2,1H3"	"QXIPOFFBZVZDFV-UHFFFAOYSA-N"	FALSE	FALSE	705	3	4
"63716-52-9"	NA	NA	"Public_CrossChecked"	"COP(=S)(OC)SC1CSC=CO1"	"?"	"InChI=1S/C6H11O3PS3/c1-7-10(11,8-2)13-6-5-12-4-3-9-6/h3-4,6H,5H2,1-2H3"	"SVRGTAIJSHLTQN-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"63716-53-0"	NA	NA	"Public_CrossChecked"	"CCOP(=S)(OCC)SC1(Cl)OCCCC1(Cl)Cl"	"?"	"InChI=1S/C9H16Cl3O3PS2/c1-3-14-16(17,15-4-2)18-9(12)8(10,11)6-5-7-13-9/h3-7H2,1-2H3"	"HYKWCUAABJLLCQ-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"63717-17-9"	NA	NA	"Public_CrossChecked"	"CN(CC(=O)SP(=S)(OCC)OCC)C(N)=O"	"?"	"InChI=1S/C8H17N2O4PS2/c1-4-13-15(16,14-5-2)17-7(11)6-10(3)8(9)12/h4-6H2,1-3H3,(H2,9,12)"	"QWCKSCFKDOLAAG-UHFFFAOYSA-N"	TRUE	FALSE	16	1	2
"63734-62-3"	"DTXSID4028121"	"Benzoic acid, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-"	"EPA_DSSTox"	"OC(=O)C1=CC(=CC=C1)OC1C=CC(=CC=1Cl)C(F)(F)F"	"?"	"InChI=1S/C14H8ClF3O3/c15-11-7-9(14(16,17)18)4-5-12(11)21-10-3-1-2-8(6-10)13(19)20/h1-7H,(H,19,20)"	"ONKRUAQFUNKYAX-UHFFFAOYSA-N"	FALSE	FALSE	1170	3	4
"63744-48-9"	NA	NA	"Public_CrossChecked"	"CCN1C2=C(N)C=CC=C2C2CCCCC1=2"	"[Cl-]"	"InChI=1S/C14H18N2/c1-2-16-13-9-4-3-6-10(13)11-7-5-8-12(15)14(11)16/h5,7-8H,2-4,6,9,15H2,1H3"	"NCVIKYCUISGLRP-UHFFFAOYSA-N"	FALSE	FALSE	1092	3	4
"63744-49-0"	NA	NA	"Public_CrossChecked"	"CN1C2=CC=C(N)C=C2C2C=CC=CC1=2"	"[Cl-]"	"InChI=1S/C13H12N2/c1-15-12-5-3-2-4-10(12)11-8-9(14)6-7-13(11)15/h2-8H,14H2,1H3"	"AIMXMLCYGWOKDI-UHFFFAOYSA-N"	FALSE	FALSE	347	2	4
"63755-05-5"	"DTXSID60213194"	"Chlobenthiazone [ISO]"	"EPA_DSSTox"	"CN1C(=O)SC2C=CC=C(Cl)C1=2"	"?"	"InChI=1S/C8H6ClNOS/c1-10-7-5(9)3-2-4-6(7)12-8(10)11/h2-4H,1H3"	"QCPASDYEQAVIJF-UHFFFAOYSA-N"	FALSE	FALSE	1940	3	4
"63782-90-1"	"DTXSID8058245"	"Flamprop-M-isopropyl"	"EPA_DSSTox"	"CC(C)OC(=O)C(C)N(C1=CC(Cl)=C(F)C=C1)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C19H19ClFNO3/c1-12(2)25-19(24)13(3)22(15-9-10-17(21)16(20)11-15)18(23)14-7-5-4-6-8-14/h4-13H,1-3H3"	"IKVXBIIHQGXQRQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"638-07-3"	"DTXSID4044454"	"Ethyl 4-chloro-3-oxobutanoate"	"EPA_DSSTox"	"CCOC(=O)CC(=O)CCl"	"?"	"InChI=1S/C6H9ClO3/c1-2-10-6(9)3-5(8)4-7/h2-4H2,1H3"	"OHLRLMWUFVDREV-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"638-10-8"	"DTXSID0060931"	"2-Butenoic acid, 3-methyl-, ethyl ester"	"EPA_DSSTox"	"CC(C)=CC(=O)OCC"	"?"	"InChI=1S/C7H12O2/c1-4-9-7(8)5-6(2)3/h5H,4H2,1-3H3"	"UTXVCHVLDOLVPC-UHFFFAOYSA-N"	FALSE	TRUE	11600	4	5
"638-16-4"	"DTXSID3045067"	"1,3,5-Triazinane-2,4,6-trithione"	"EPA_DSSTox"	"S=C1NC(=S)NC(=S)N1"	"?"	"InChI=1S/C3H3N3S3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)"	"WZRRRFSJFQTGGB-UHFFFAOYSA-N"	FALSE	TRUE	9500	4	5
"638-23-3"	"DTXSID30110060"	"S-(Carboxymethyl)-L-cysteine"	"EPA_DSSTox"	"NC(CSCC(O)=O)C(O)=O"	"?"	"InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)"	"GBFLZEXEOZUWRN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"638-49-3"	"DTXSID2047698"	"Pentyl formate"	"EPA_DSSTox"	"CCCCCOC=O"	"?"	"InChI=1S/C6H12O2/c1-2-3-4-5-8-6-7/h6H,2-5H2,1H3"	"DIQMPQMYFZXDAX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"638-65-3"	"DTXSID4027280"	"Octadecanenitrile"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCC#N"	"?"	"InChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-17H2,1H3"	"RHSBIGNQEIPSCT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"63815-53-2"	NA	NA	"Public_CrossChecked"	"CCOP(C)(=S)NOC1C=CC=C2C=CC=CC2=1"	"?"	"InChI=1S/C13H16NO2PS/c1-3-15-17(2,18)14-16-13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,3H2,1-2H3,(H,14,18)"	"HNKLAYIXVYKDPX-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"63834-30-0"	NA	NA	"Public_CrossChecked"	"CCCCC(CC)C(O)C(O)=O"	"?"	"InChI=1S/C9H18O3/c1-3-5-6-7(4-2)8(10)9(11)12/h7-8,10H,3-6H2,1-2H3,(H,11,12)"	"DJDGGSPGQFGVMX-UHFFFAOYSA-N"	FALSE	TRUE	3400	3	5
"63843-89-0"	"DTXSID1070014"	"Di-(1,2,2,6,6-pentamethyl-4-piperidyl)-2-butyl-2-(3,5-di-tert-butyl-4-hydroxybenzyl)malonate"	"EPA_DSSTox"	"CCCCC(CC1C=C(C(O)=C(C=1)C(C)(C)C)C(C)(C)C)(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1"	"?"	"InChI=1S/C42H72N2O5/c1-18-19-20-42(34(46)48-29-24-38(8,9)43(16)39(10,11)25-29,35(47)49-30-26-40(12,13)44(17)41(14,15)27-30)23-28-21-31(36(2,3)4)33(45)32(22-28)37(5,6)7/h21-22,29-30,45H,18-20,23-27H2,1-17H3"	"FLPKSBDJMLUTEX-UHFFFAOYSA-N"	FALSE	FALSE	1490	3	4
"6386-63-6"	"DTXSID00213294"	"Cloxyfonac [ISO]"	"EPA_DSSTox"	"OC(=O)COC1=CC=C(Cl)C=C1CO"	"?"	"InChI=1S/C9H9ClO4/c10-7-1-2-8(6(3-7)4-11)14-5-9(12)13/h1-3,11H,4-5H2,(H,12,13)"	"ZJRUTGDCLVIVRD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"63867-07-2"	NA	NA	"Public_CrossChecked"	"CC(OC(=O)C(CC)CC)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C9H15Cl3O2/c1-4-7(5-2)8(13)14-6(3)9(10,11)12/h6-7H,4-5H2,1-3H3"	"VEXVHEBQGLIYEH-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"63867-08-3"	"DTXSID20213296"	"Butyric acid, 2-bromo-2-ethyl-, 2,2,2-tribromoethyl ester"	"EPA_DSSTox"	"CCC(Br)(CC)C(=O)OCC(Br)(Br)Br"	"?"	"InChI=1S/C8H12Br4O2/c1-3-7(9,4-2)6(13)14-5-8(10,11)12/h3-5H2,1-2H3"	"CUWZHNSIPTVXMT-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"63868-75-7"	"DTXSID20213337"	"Dihydralazine hydrochloride"	"EPA_DSSTox"	"NNC1=NN=C(NN)C2=CC=CC=C21"	"Cl"	"InChI=1S/C8H10N6/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7/h1-4H,9-10H2,(H,11,13)(H,12,14)"	"VQKLRVZQQYVIJW-UHFFFAOYSA-N"	FALSE	FALSE	350	2	4
"63869-22-7"	"DTXSID00213350"	"Phosphonic acid, ((ethylthio)(phenylthio)methylene)bis-, tetraethyl ester"	"EPA_DSSTox"	"CCSC(SC1C=CC=CC=1)(P(=O)(OCC)OCC)P(=O)(OCC)OCC"	"?"	"InChI=1S/C17H30O6P2S2/c1-6-20-24(18,21-7-2)17(26-10-5,25(19,22-8-3)23-9-4)27-16-14-12-11-13-15-16/h11-15H,6-10H2,1-5H3"	"JDPQNEPYEYEXTO-UHFFFAOYSA-N"	TRUE	FALSE	24	1	2
"63869-26-1"	"DTXSID60213351"	"Phosphonic acid, (((mercaptomethyl)dithio)methyl)-, O,O-diethyl ester, ethylxanthate"	"EPA_DSSTox"	"CCOC(=S)SCSSCP(=O)(OCC)OCC"	"?"	"InChI=1S/C9H19O4PS4/c1-4-11-9(15)16-8-18-17-7-14(10,12-5-2)13-6-3/h4-8H2,1-3H3"	"KIVNOHUCJPIWIW-UHFFFAOYSA-N"	TRUE	FALSE	14	1	2
"63869-27-2"	"DTXSID20213352"	"Phosphonic acid, (mercaptomethylidyne)tri-, hexaethyl ester, S-ester with O,O-diethyl phosphorothioate"	"EPA_DSSTox"	"CCOP(=O)(OCC)C(SP(=O)(OCC)OCC)(P(=O)(OCC)OCC)P(=O)(OCC)OCC"	"?"	"InChI=1S/C17H40O12P4S/c1-9-22-30(18,23-10-2)17(31(19,24-11-3)25-12-4,32(20,26-13-5)27-14-6)34-33(21,28-15-7)29-16-8/h9-16H2,1-8H3"	"CISOBGVGQPIDLA-UHFFFAOYSA-N"	TRUE	FALSE	28	1	2
"63869-28-3"	"DTXSID80213353"	"Phosphonic acid, (mercapto-(trimethoxyphosphoranylidene)methyl)-, dimethyl ester, S-ester with O,O-dimethyl phosphorothioate"	"EPA_DSSTox"	"COP(OC)(OC)=C(SP(=O)(OC)OC)P(=O)(OC)OC"	"?"	"InChI=1S/C8H21O9P3S/c1-11-18(9,12-2)8(19(13-3,14-4)15-5)21-20(10,16-6)17-7/h1-7H3"	"XFQPBFXIWDCVET-UHFFFAOYSA-N"	TRUE	FALSE	38	1	2
"63869-31-8"	NA	NA	"Public_CrossChecked"	"CCP(=S)(OCC)SCSC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C11H16ClOPS3/c1-3-13-14(15,4-2)17-9-16-11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3"	"UFZQGFOZESGELH-UHFFFAOYSA-N"	TRUE	FALSE	17	1	2
"63869-33-0"	NA	NA	"Public_CrossChecked"	"CCCSP(C)(=S)OC1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C10H13Cl2OPS2/c1-3-6-16-14(2,15)13-10-5-4-8(11)7-9(10)12/h4-5,7H,3,6H2,1-2H3"	"IQSDVQKBPXIRGI-UHFFFAOYSA-N"	FALSE	FALSE	178	2	3
"63873-21-2"	"DTXSID00213390"	"Phosphorothioic acid, O,O-diethyl S-isopropyl ester"	"EPA_DSSTox"	"CC(C)SP(=O)(OCC)OCC"	"?"	"InChI=1S/C7H17O3PS/c1-5-9-11(8,10-6-2)12-7(3)4/h7H,5-6H2,1-4H3"	"NOWOTSQGXOBIPP-UHFFFAOYSA-N"	FALSE	FALSE	179	2	3
"63873-23-4"	"DTXSID60213391"	"Phosphorothioic acid, O,O-diethyl O-(1-methylethyl) ester"	"EPA_DSSTox"	"CC(C)OP(=S)(OCC)OCC"	"?"	"InChI=1S/C7H17O3PS/c1-5-8-11(12,9-6-2)10-7(3)4/h7H,5-6H2,1-4H3"	"DTAUVXJJWJDFDW-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"63883-13-6"	NA	NA	"Public_CrossChecked"	"CCN(CCOC(=O)CC1=CC2OCC3C=CC=CC=3C(=O)C=2C=C1)CC"	"[Cl-]"	"InChI=1S/C22H25NO4/c1-3-23(4-2)11-12-26-21(24)14-16-9-10-19-20(13-16)27-15-17-7-5-6-8-18(17)22(19)25/h5-10,13H,3-4,11-12,14-15H2,1-2H3"	"AFOMFXAEPQHFDD-UHFFFAOYSA-N"	FALSE	FALSE	150	2	3
"63883-18-1"	NA	NA	"Public_CrossChecked"	"CC1(C)OC(CO1)COC(=O)CC1=CC2OCC3C=CC=CC=3C(=O)C=2C=C1"	"?"	"InChI=1S/C22H22O6/c1-22(2)27-13-16(28-22)12-26-20(23)10-14-7-8-18-19(9-14)25-11-15-5-3-4-6-17(15)21(18)24/h3-9,16H,10-13H2,1-2H3"	"MEEAPNCGAKISDY-UHFFFAOYSA-N"	FALSE	FALSE	92	2	3
"63883-19-2"	NA	NA	"Public_CrossChecked"	"OCC(O)COC(=O)CC1C=C2OCC3C=CC=CC=3C(=O)C2=CC=1"	"?"	"InChI=1S/C19H18O6/c20-9-14(21)11-25-18(22)8-12-5-6-16-17(7-12)24-10-13-3-1-2-4-15(13)19(16)23/h1-7,14,20-21H,8-11H2"	"MLBJASFXUVNGLK-UHFFFAOYSA-N"	FALSE	FALSE	95	2	3
"63884-40-2"	"DTXSID20213397"	"Hydrazinomethanesulfonic acid, N'-isopropyl-, sodium salt"	"EPA_DSSTox"	"CC(C)NNCS(O)(=O)=O"	"[Na+]"	"InChI=1S/C4H12N2O3S/c1-4(2)6-5-3-10(7,8)9/h4-6H,3H2,1-2H3,(H,7,8,9)"	"VBRZNPKKNJEUJT-UHFFFAOYSA-N"	FALSE	FALSE	330	2	4
"63886-55-5"	NA	NA	"Public_CrossChecked"	"CN(C)P(=O)(OC=C(Cl)Cl)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C10H11Cl3NO2P/c1-14(2)17(15,16-7-10(12)13)9-5-3-8(11)4-6-9/h3-7H,1-2H3"	"DLDDGINMXNCSJX-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"63886-92-0"	"DTXSID30213484"	"Benzamide, N,N-diethyl-o-(beta-hydroxyethoxy)-"	"EPA_DSSTox"	"CCN(CC)C(=O)C1=CC=CC=C1OCCO"	"?"	"InChI=1S/C13H19NO3/c1-3-14(4-2)13(16)11-7-5-6-8-12(11)17-10-9-15/h5-8,15H,3-4,9-10H2,1-2H3"	"QDOVDSFIOUZBQT-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"63887-17-2"	"DTXSID00213496"	"Benzamide, o-allyloxy-N-(beta-hydroxyethyl)-"	"EPA_DSSTox"	"C=CCOC1=CC=CC=C1C(=O)NCCO"	"?"	"InChI=1S/C12H15NO3/c1-2-9-16-11-6-4-3-5-10(11)12(15)13-7-8-14/h2-6,14H,1,7-9H2,(H,13,15)"	"PPLORUTUJXLHEI-UHFFFAOYSA-N"	FALSE	FALSE	1150	3	4
"63887-51-4"	"DTXSID80213510"	"Benzamide, o-allyloxy-N,N-diethyl-"	"EPA_DSSTox"	"CCN(CC)C(=O)C1=CC=CC=C1OCC=C"	"?"	"InChI=1S/C14H19NO2/c1-4-11-17-13-10-8-7-9-12(13)14(16)15(5-2)6-3/h4,7-10H,1,5-6,11H2,2-3H3"	"UACSYZPPUXXDTL-UHFFFAOYSA-N"	FALSE	FALSE	325	2	4
"63887-52-5"	"DTXSID40213511"	"Benzamide, o-allyloxy-N,N-dimethyl-"	"EPA_DSSTox"	"CN(C)C(=O)C1=CC=CC=C1OCC=C"	"?"	"InChI=1S/C12H15NO2/c1-4-9-15-11-8-6-5-7-10(11)12(14)13(2)3/h4-8H,1,9H2,2-3H3"	"FIWNTYXJJOOZFV-UHFFFAOYSA-N"	FALSE	FALSE	740	3	4
"6389-81-7"	"DTXSID20213514"	"O,O-Dimethyl S-ethyl phosphorothioate"	"EPA_DSSTox"	"CCSP(=O)(OC)OC"	"?"	"InChI=1S/C4H11O3PS/c1-4-9-8(5,6-2)7-3/h4H2,1-3H3"	"KEVXARPBRXTLQG-UHFFFAOYSA-N"	TRUE	FALSE	13.8	1	2
"63905-05-5"	"DTXSID40213536"	"Methylamine, N-(2-chloroethyl)-N-(2-hydroxyethyl)-, hydrochloride"	"EPA_DSSTox"	"CN(CCO)CCCl"	"Cl"	"InChI=1S/C5H12ClNO/c1-7(3-2-6)4-5-8/h8H,2-5H2,1H3"	"DOIGXYACGZWLMR-UHFFFAOYSA-N"	FALSE	FALSE	80	2	3
"63906-39-8"	NA	NA	"Public_CrossChecked"	"CCCSP(C)(=S)SCC(=O)OCC"	"?"	"InChI=1S/C8H17O2PS3/c1-4-6-13-11(3,12)14-7-8(9)10-5-2/h4-7H2,1-3H3"	"RGWCPFOSLUTALQ-UHFFFAOYSA-N"	FALSE	FALSE	215	2	3
"63906-70-7"	"DTXSID10213583"	"2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-(2-hydroxyethyl)-3-methyl-"	"EPA_DSSTox"	"CN1CN(CCO)CSC1=S"	"?"	"InChI=1S/C6H12N2OS2/c1-7-4-8(2-3-9)5-11-6(7)10/h9H,2-5H2,1H3"	"ZWCSWKXHGUBZAK-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"63906-81-0"	"DTXSID40213591"	"Benzamide, 2-(beta-hydroxyethoxy)-N-methyl-5-phenyl-"	"EPA_DSSTox"	"CNC(=O)C1=CC(=CC=C1OCCO)C1C=CC=CC=1"	"?"	"InChI=1S/C16H17NO3/c1-17-16(19)14-11-13(12-5-3-2-4-6-12)7-8-15(14)20-10-9-18/h2-8,11,18H,9-10H2,1H3,(H,17,19)"	"MMWJCCRTDOVKIH-UHFFFAOYSA-N"	FALSE	TRUE	2700	3	5
"63907-07-3"	NA	NA	"Public_CrossChecked"	"CCC(COCCOCCCN1C(=O)C2C(C3CC2C=C3)C1=O)CC"	"?"	"InChI=1S/C20H31NO4/c1-3-14(4-2)13-25-11-10-24-9-5-8-21-19(22)17-15-6-7-16(12-15)18(17)20(21)23/h6-7,14-18H,3-5,8-13H2,1-2H3"	"IEOZCZPGWGLPOM-UHFFFAOYSA-N"	FALSE	TRUE	9500	4	5
"63907-12-0"	NA	NA	"Public_CrossChecked"	"CCCCCCCCC1OC1CCCCCCCC(=O)OCC1(CC)OC1CCC"	"?"	"InChI=1S/C26H48O4/c1-4-7-8-9-11-14-18-22-23(29-22)19-15-12-10-13-16-20-25(27)28-21-26(6-3)24(30-26)17-5-2/h22-24H,4-21H2,1-3H3"	"VVTGLOLVCWBTSW-UHFFFAOYSA-N"	FALSE	TRUE	45000	4	5
"63907-15-3"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCCCCCCCCCC1NCCN=1"	"[Cl-]"	"InChI=1S/C20H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h2-19H2,1H3,(H,21,22)"	"NCVGSSQICKMAIA-UHFFFAOYSA-N"	FALSE	FALSE	1970	3	4
"63915-63-9"	NA	NA	"Public_CrossChecked"	"NCCC=C1C2C=CC=CC=2COC2C=CC=CC=21"	"[Cl-]"	"InChI=1S/C17H17NO/c18-11-5-9-15-14-7-2-1-6-13(14)12-19-17-10-4-3-8-16(15)17/h1-4,6-10H,5,11-12,18H2"	"HLUSHBJOSPBFOC-UHFFFAOYSA-N"	FALSE	FALSE	960	3	4
"63917-06-6"	NA	NA	"Public_CrossChecked"	"O=C(C=CC(=O)OCCCl)OCCCl"	"?"	"InChI=1S/C8H10Cl2O4/c9-3-5-13-7(11)1-2-8(12)14-6-4-10/h1-2H,3-6H2"	"NUZFFMJRNXNVCA-UHFFFAOYSA-N"	FALSE	FALSE	71	2	3
"63917-07-7"	NA	NA	"Public_CrossChecked"	"COC(=O)C=C(SP(=S)(OCC)OCC)C(=O)OC"	"?"	"InChI=1S/C10H17O6PS2/c1-5-15-17(18,16-6-2)19-8(10(12)14-4)7-9(11)13-3/h7H,5-6H2,1-4H3"	"HQZHKIRXWNEBTL-UHFFFAOYSA-N"	FALSE	FALSE	80	2	3
"63917-40-8"	NA	NA	"Public_CrossChecked"	"CP1B(C)P(C)B(C)P(C)B1C"	"?"	"InChI=1S/C6H18B3P3/c1-7-10(4)8(2)12(6)9(3)11(7)5/h1-6H3"	"OVZWJJSGWBSMLG-UHFFFAOYSA-N"	TRUE	FALSE	13.5	1	2
"63918-29-6"	NA	NA	"Public_CrossChecked"	"NCC(C1=CC=CS1)N1CCCCC1"	"C(=C/C(=O)[O-])/C(=O)O"	"InChI=1S/C11H18N2S/c12-9-10(11-5-4-8-14-11)13-6-2-1-3-7-13/h4-5,8,10H,1-3,6-7,9,12H2"	"XOGNXYLXQMWUGN-UHFFFAOYSA-N"	FALSE	FALSE	1483	3	4
"63919-00-6"	NA	NA	"Public_CrossChecked"	"CC(C)(C)CC1(C)CO1"	"?"	"InChI=1S/C8H16O/c1-7(2,3)5-8(4)6-9-8/h5-6H2,1-4H3"	"WZHRVCOCPMCGEA-UHFFFAOYSA-N"	FALSE	TRUE	4920	3	5
"63919-02-8"	NA	NA	"Public_CrossChecked"	"C(C1CO1)C1C=CC(=CC=1)OCC1CO1"	"?"	"InChI=1S/C12H14O3/c1-3-10(13-7-12-8-15-12)4-2-9(1)5-11-6-14-11/h1-4,11-12H,5-8H2"	"VDLMCLSFECQNIM-UHFFFAOYSA-N"	FALSE	TRUE	4290	3	5
"63919-03-9"	"DTXSID20213711"	"Ether, methyl octafluoroisobutyl"	"EPA_DSSTox"	"COC(F)(F)C(C(F)(F)F)C(F)(F)F"	"?"	"InChI=1S/C5H4F8O/c1-14-5(12,13)2(3(6,7)8)4(9,10)11/h2H,1H3"	"AQHKYFLVHBIQMS-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"6392-46-7"	"DTXSID7041592"	"Allyxycarb"	"EPA_DSSTox"	"CC1C=C(C=C(C)C=1N(CC=C)CC=C)OC(=O)NC"	"?"	"InChI=1S/C16H22N2O2/c1-6-8-18(9-7-2)15-12(3)10-14(11-13(15)4)20-16(19)17-5/h6-7,10-11H,1-2,8-9H2,3-5H3,(H,17,19)"	"FBEHFRAORPEGFH-UHFFFAOYSA-N"	FALSE	FALSE	89	2	3
"63927-73-1"	"DTXSID30213722"	"1H-Tetrazole, 5-((1-methyl-1H-imidazol-2-yl)methyl)-"	"EPA_DSSTox"	"CN1C=CN=C1CC1N=NNN=1"	"?"	"InChI=1S/C6H8N6/c1-12-3-2-7-6(12)4-5-8-10-11-9-5/h2-3H,4H2,1H3,(H,8,9,10,11)"	"UPLAWUWUOQEOAO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"63935-38-6"	"DTXSID0058148"	"Cycloprothrin"	"EPA_DSSTox"	"CCOC1C=CC(=CC=1)C1(CC1(Cl)Cl)C(=O)OC(C#N)C1C=C(C=CC=1)OC1C=CC=CC=1"	"?"	"InChI=1S/C26H21Cl2NO4/c1-2-31-20-13-11-19(12-14-20)25(17-26(25,27)28)24(30)33-23(16-29)18-7-6-10-22(15-18)32-21-8-4-3-5-9-21/h3-15,23H,2,17H2,1H3"	"CGTWCAVZZBLHQH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"63938-21-6"	NA	NA	"Public_CrossChecked"	"COc1ccc2c(=O)c(C)c(C)oc2c1CN1CCOCC1"	"[Cl-]"	"InChI=1S/C17H21NO4/c1-11-12(2)22-17-13(16(11)19)4-5-15(20-3)14(17)10-18-6-8-21-9-7-18/h4-5H,6-10H2,1-3H3"	"GJTMNUHTYIJXTJ-UHFFFAOYSA-N"	TRUE	FALSE	44	1	2
"63938-45-4"	NA	NA	"Public_CrossChecked"	"CC(C)(C)C1=CC=C(O1)C(=O)OCC(Cl)(Cl)Cl"	"?"	"InChI=1S/C11H13Cl3O3/c1-10(2,3)8-5-4-7(17-8)9(15)16-6-11(12,13)14/h4-5H,6H2,1-3H3"	"KJANJZUJQIINKA-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"63938-47-6"	NA	NA	"Public_CrossChecked"	"O=C(OCC(Br)(Br)Br)C1=CC=CO1"	"?"	"InChI=1S/C7H5Br3O3/c8-7(9,10)4-13-6(11)5-2-1-3-12-5/h1-3H,4H2"	"CKCVDRMAADONAQ-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"63956-90-1"	NA	NA	"Public_CrossChecked"	"CC(C)(CC)OC(=O)NC1=CC=CO1"	"?"	"InChI=1S/C10H15NO3/c1-4-10(2,3)14-9(12)11-8-6-5-7-13-8/h5-7H,4H2,1-3H3,(H,11,12)"	"QGOMMIHEYXMOTH-UHFFFAOYSA-N"	FALSE	FALSE	190	2	3
"63968-64-9"	"DTXSID2040652"	"Artemisinin"	"EPA_DSSTox"	"CC12CCC3C(C)CCC4C(C)C(=O)OC(O1)C43OO2"	"?"	"InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3"	"BLUAFEHZUWYNDE-UHFFFAOYSA-N"	FALSE	TRUE	5576	4	5
"63979-26-0"	"DTXSID10213826"	"1,2,3-Triazole, 1-(4-aminophenyl)-4-(diethylcarboxamide)-5-methyl-, hydrochloride"	"EPA_DSSTox"	"CC1=C(N=NN1C1C=CC(N)=CC=1)C(=O)N(CC)CC"	"Cl"	"InChI=1S/C14H19N5O/c1-4-18(5-2)14(20)13-10(3)19(17-16-13)12-8-6-11(15)7-9-12/h6-9H,4-5,15H2,1-3H3"	"UCEXBDVMIFXJHJ-UHFFFAOYSA-N"	FALSE	FALSE	494	2	4
"63979-28-2"	"DTXSID30213828"	"1,2,3-Triazole-4-carboxylic acid, 5-methyl-1-phenyl-, sodium salt"	"EPA_DSSTox"	"CC1=C(N=NN1C1C=CC=CC=1)C(O)=O"	"[Na+]"	"InChI=1S/C10H9N3O2/c1-7-9(10(14)15)11-12-13(7)8-5-3-2-4-6-8/h2-6H,1H3,(H,14,15)"	"RRHCZOBPABYIJZ-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"63979-29-3"	"DTXSID90213829"	"1,2,3-Triazole-4-carboxamide, N,N-dimethyl-5-methyl-1-phenyl-"	"EPA_DSSTox"	"CN(C)C(=O)C1N=NN(C2C=CC=CC=2)C=1C"	"?"	"InChI=1S/C12H14N4O/c1-9-11(12(17)15(2)3)13-14-16(9)10-7-5-4-6-8-10/h4-8H,1-3H3"	"PIFRKZZDDGEWQG-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"63979-37-3"	NA	NA	"Public_CrossChecked"	"CC1(C)N=C(N)N=C(N)N1C1C=CC=CC=1"	"?"	"InChI=1S/C11H15N5/c1-11(2)15-9(12)14-10(13)16(11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H4,12,13,14,15)"	"VMVKLCXTXSSZSI-UHFFFAOYSA-N"	FALSE	FALSE	447	2	4
"63979-41-9"	"DTXSID60213831"	"Urea, N-(5,6,7,8-tetrahydrocarbaz-1-yl)-"	"EPA_DSSTox"	"NC(=O)NC1=CC=CC2=C1NC1CCCCC=12"	"?"	"InChI=1S/C13H15N3O/c14-13(17)16-11-7-3-5-9-8-4-1-2-6-10(8)15-12(9)11/h3,5,7,15H,1-2,4,6H2,(H3,14,16,17)"	"NNKZDSOFOBWHNV-UHFFFAOYSA-N"	FALSE	TRUE	2770	3	5
"63979-76-0"	NA	NA	"Public_CrossChecked"	"NC(N)=NCC=CC1C=CC=CC=1"	"OS(=O)(=O)O"	"InChI=1S/C10H13N3/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2,(H4,11,12,13)"	"PVTRCZCFBBXXQG-UHFFFAOYSA-N"	FALSE	FALSE	456	2	4
"63980-34-7"	"DTXSID60213856"	"p-Toluidine, N-phenylpropyl-"	"EPA_DSSTox"	"CC1C=CC(=CC=1)NCCCC1C=CC=CC=1"	"?"	"InChI=1S/C16H19N/c1-14-9-11-16(12-10-14)17-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12,17H,5,8,13H2,1H3"	"HGBZCNSJZRBAFV-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"63980-62-1"	"DTXSID10213866"	"Ethanol, 2-(2-(1-isobutyl-3-methylbutoxy)ethoxy)-"	"EPA_DSSTox"	"CC(C)CC(CC(C)C)OCCOCCO"	"?"	"InChI=1S/C13H28O3/c1-11(2)9-13(10-12(3)4)16-8-7-15-6-5-14/h11-14H,5-10H2,1-4H3"	"PUYQBWNBLFXRIO-UHFFFAOYSA-N"	FALSE	TRUE	8680	4	5
"63981-11-3"	"DTXSID60213876"	"Phosphorothioic acid, O,O-dimethyl ester, O-ester with 3-chloro-4-hydroxybenzonitrile"	"EPA_DSSTox"	"COP(=S)(OC1=CC=C(C=C1Cl)C#N)OC"	"?"	"InChI=1S/C9H9ClNO3PS/c1-12-15(16,13-2)14-9-4-3-7(6-11)5-8(9)10/h3-5H,1-2H3"	"IHPVQWQTPXUIGW-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"63982-03-6"	"DTXSID0070029"	"1-Heptadecanaminium, N,N,N-trimethyl-, methyl sulfate"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCC[N+](C)(C)C"	"S(OC)(=O)(=O)[O-]"	"InChI=1S/C20H44N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)4/h5-20H2,1-4H3/q+1"	"KENBDIBVUKXMTB-UHFFFAOYSA-N"	FALSE	TRUE	3650	3	5
"63982-52-5"	"DTXSID20213897"	"Carbamic acid, methyl-, (2-isopropyl-5-methyl-1,4-phenylene) ester (2:1)"	"EPA_DSSTox"	"CC1C=C(OC(=O)NC)C(=CC=1OC(=O)NC)C(C)C"	"?"	"InChI=1S/C14H20N2O4/c1-8(2)10-7-11(19-13(17)15-4)9(3)6-12(10)20-14(18)16-5/h6-8H,1-5H3,(H,15,17)(H,16,18)"	"XOXMOVDDZFAZSM-UHFFFAOYSA-N"	FALSE	FALSE	60	2	3
"63989-86-6"	"DTXSID50213926"	"m-Cresol, 6-heptyl-"	"EPA_DSSTox"	"CC1C=C(O)C(CCCCCCC)=CC=1"	"?"	"InChI=1S/C14H22O/c1-3-4-5-6-7-8-13-10-9-12(2)11-14(13)15/h9-11,15H,3-8H2,1-2H3"	"PFEFNRYFGDCFFT-UHFFFAOYSA-N"	FALSE	TRUE	3320	3	5
"63990-57-8"	NA	NA	"Public_CrossChecked"	"CC(CCC)C1C=C(C=CC=1OCC(=O)Cl)C(C)CCC"	"?"	"InChI=1S/C18H27ClO2/c1-5-7-13(3)15-9-10-17(21-12-18(19)20)16(11-15)14(4)8-6-2/h9-11,13-14H,5-8,12H2,1-4H3"	"NGNBDVOYPDDBFK-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"63990-90-9"	"DTXSID80213934"	"Benzenesulfonic acid, decyl-, triethanolanine salt"	"EPA_DSSTox"	"CCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O"	"OCCN(CCO)CCO"	"InChI=1S/C16H26O3S/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)20(17,18)19/h10-11,13-14H,2-9,12H2,1H3,(H,17,18,19)"	"UAZLASMTBCLJKO-UHFFFAOYSA-N"	FALSE	FALSE	1400	3	4
"63991-43-5"	"DTXSID80213939"	"Benzenesulfonamide, N-methyl-2,4,5-trichloro-"	"EPA_DSSTox"	"CNS(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Cl"	"?"	"InChI=1S/C7H6Cl3NO2S/c1-11-14(12,13)7-3-5(9)4(8)2-6(7)10/h2-3,11H,1H3"	"IIWQFZAPAQEVFI-UHFFFAOYSA-N"	FALSE	TRUE	5100	4	5
"63992-49-4"	"DTXSID50213966"	"m-Cresol, 6-nonyl-"	"EPA_DSSTox"	"CC1C=C(O)C(CCCCCCCCC)=CC=1"	"?"	"InChI=1S/C16H26O/c1-3-4-5-6-7-8-9-10-15-12-11-14(2)13-16(15)17/h11-13,17H,3-10H2,1-2H3"	"HYAMSKRJESVFDG-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"63992-50-7"	"DTXSID10213967"	"m-Cresol, 6-octyl-"	"EPA_DSSTox"	"CC1C=C(O)C(CCCCCCCC)=CC=1"	"?"	"InChI=1S/C15H24O/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-15(14)16/h10-12,16H,3-9H2,1-2H3"	"RFEBNZPANOXJQC-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"64-00-6"	"DTXSID1040324"	"m-Cumenyl methylcarbamate"	"EPA_DSSTox"	"CNC(=O)OC1=CC(=CC=C1)C(C)C"	"?"	"InChI=1S/C11H15NO2/c1-8(2)9-5-4-6-10(7-9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)"	"GYKXQTKSWLAUIT-UHFFFAOYSA-N"	TRUE	FALSE	16	1	2
"64-10-8"	"DTXSID8042507"	"1-Phenylurea"	"EPA_DSSTox"	"NC(=O)NC1C=CC=CC=1"	"?"	"InChI=1S/C7H8N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)"	"LUBJCRLGQSPQNN-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"64-17-5"	"DTXSID9020584"	"Ethanol"	"EPA_DSSTox"	"CCO"	"?"	"InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3"	"LFQSCWFLJHTTHZ-UHFFFAOYSA-N"	FALSE	TRUE	7230	4	5
"64-18-6"	"DTXSID2024115"	"Formic acid"	"EPA_DSSTox"	"OC=O"	"?"	"InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)"	"BDAGIHXWWSANSR-UHFFFAOYSA-N"	FALSE	FALSE	1100	3	4
"64-20-0"	"DTXSID80883212"	"Methanaminium, N,N,N-trimethyl-, bromide (1:1)"	"EPA_DSSTox"	"C[N+](C)(C)C"	"[Br-]"	"InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1"	"QEMXHQIAXOOASZ-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"64-43-7"	"DTXSID40213975"	"Amobarbital sodium [USP]"	"EPA_DSSTox"	"CCC1(CCC(C)C)C(=O)NC(O)=NC1=O"	"[Na+]"	"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"	FALSE	FALSE	275	2	3
"64-60-8"	"DTXSID20213978"	"Butyrophenone, 4-(3-azaspiro(5.5)undec-3-yl)-4'-fluoro-, hydrochloride"	"EPA_DSSTox"	"O=C(CCCN1CCC2(CCCCC2)CC1)C1C=CC(F)=CC=1"	"Cl"	"InChI=1S/C20H28FNO/c21-18-8-6-17(7-9-18)19(23)5-4-14-22-15-12-20(13-16-22)10-2-1-3-11-20/h6-9H,1-5,10-16H2"	"HTYMBWFCAKHGOC-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"64-67-5"	"DTXSID1024045"	"Diethyl sulfate"	"EPA_DSSTox"	"CCOS(=O)(=O)OCC"	"?"	"InChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3"	"DENRZWYUOJLTMF-UHFFFAOYSA-N"	FALSE	FALSE	880	3	4
"64-73-3"	"DTXSID0045252"	"Demeclocycline hydrochloride"	"EPA_DSSTox"	"CN(C)C1C2CC3C(O)C4C(Cl)=CC=C(O)C=4C(=O)C3=C(O)C2(O)C(=O)C(C(N)=O)=C1O"	"Cl"	"InChI=1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31)"	"FMTDIUIBLCQGJB-UHFFFAOYSA-N"	FALSE	TRUE	2372	3	5
"64-75-5"	"DTXSID6021321"	"Tetracycline hydrochloride"	"EPA_DSSTox"	"CC1(O)C2CC3C(C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C2C(=O)C2=C1C=CC=C2O)N(C)C"	"Cl"	"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/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)"	"OFVLGDICTFRJMM-UHFFFAOYSA-N"	FALSE	TRUE	6443	4	5
"64-77-7"	"DTXSID8021359"	"Tolbutamide"	"EPA_DSSTox"	"CC1C=CC(=CC=1)S(=O)(=O)NC(=O)NCCCC"	"?"	"InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)"	"JLRGJRBPOGGCBT-UHFFFAOYSA-N"	FALSE	TRUE	2490	3	5
"64-96-0"	"DTXSID70213983"	"U 11555A"	"EPA_DSSTox"	"COC1C=C2CC(=C(C2=CC=1)C1C=CC(=CC=1)OCCN(CC)CC)C1C=CC=CC=1"	"Cl"	"InChI=1S/C28H31NO2/c1-4-29(5-2)17-18-31-24-13-11-22(12-14-24)28-26-16-15-25(30-3)19-23(26)20-27(28)21-9-7-6-8-10-21/h6-16,19H,4-5,17-18,20H2,1-3H3"	"MIKVNWFEJDLXQE-UHFFFAOYSA-N"	FALSE	FALSE	547	3	4
"640-15-3"	"DTXSID9042469"	"Thiometon"	"EPA_DSSTox"	"CCSCCSP(=S)(OC)OC"	"?"	"InChI=1S/C6H15O2PS3/c1-4-11-5-6-12-9(10,7-2)8-3/h4-6H2,1-3H3"	"OPASCBHCTNRLRM-UHFFFAOYSA-N"	TRUE	FALSE	40	1	2
"640-19-7"	"DTXSID2034255"	"2-Fluoroacetamide"	"EPA_DSSTox"	"NC(=O)CF"	"?"	"InChI=1S/C2H4FNO/c3-1-2(4)5/h1H2,(H2,4,5)"	"FVTWJXMFYOXOKK-UHFFFAOYSA-N"	TRUE	FALSE	5.75	1	2
"64011-46-7"	NA	NA	"Public_CrossChecked"	"O=CC=CC1CO1"	"?"	"InChI=1S/C5H6O2/c6-3-1-2-5-4-7-5/h1-3,5H,4H2"	"MCZFDRQUPJCHON-UHFFFAOYSA-N"	FALSE	FALSE	62	2	3
"64011-70-7"	NA	NA	"Public_CrossChecked"	"NC(=S)C1CC=CCC1"	"?"	"InChI=1S/C7H11NS/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H2,8,9)"	"BCIPMXTUMHTZBE-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"64011-84-3"	NA	NA	"Public_CrossChecked"	"CC(=CC(=O)OC1=CC=C(C=C1)OC)OP(=O)(OC)OC"	"?"	"InChI=1S/C13H17O7P/c1-10(20-21(15,17-3)18-4)9-13(14)19-12-7-5-11(16-2)6-8-12/h5-9H,1-4H3"	"DKJIFVIBSHBSFD-UHFFFAOYSA-N"	FALSE	FALSE	101	2	3
"64011-88-7"	NA	NA	"Public_CrossChecked"	"CC1C=CC(=CC=1)OC(=O)C=C(C)OP(=O)(OC)OC"	"?"	"InChI=1S/C13H17O6P/c1-10-5-7-12(8-6-10)18-13(14)9-11(2)19-20(15,16-3)17-4/h5-9H,1-4H3"	"BMIYVSFIYHCVEE-UHFFFAOYSA-N"	FALSE	FALSE	176	2	3
"64019-93-8"	"DTXSID2045494"	"Dipivefrin hydrochloride"	"EPA_DSSTox"	"CC(C)(C)C(=O)OC1C=CC(=CC=1OC(=O)C(C)(C)C)C(O)CNC"	"Cl"	"InChI=1S/C19H29NO5/c1-18(2,3)16(22)24-14-9-8-12(13(21)11-20-7)10-15(14)25-17(23)19(4,5)6/h8-10,13,20-21H,11H2,1-7H3"	"OCUJLLGVOUDECM-UHFFFAOYSA-N"	FALSE	FALSE	183	2	3
"64036-72-2"	"DTXSID00886664"	"2-Benzothiazolamine, 4-methyl-, hydrochloride (1:1)"	"EPA_DSSTox"	"CC1=CC=CC2SC(N)=NC=21"	"Cl"	"InChI=1S/C8H8N2S/c1-5-3-2-4-6-7(5)10-8(9)11-6/h2-4H,1H3,(H2,9,10)"	"GRIATXVEXOFBGO-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"64036-99-3"	NA	NA	"Public_CrossChecked"	"C[S+](CCSP(=O)(OCC)OCC)CC"	"[I-]"	"InChI=1S/C9H22O3PS2/c1-5-11-13(10,12-6-2)14-8-9-15(4)7-3/h5-9H2,1-4H3/q+1"	"YDYNMVNUGKEYOS-UHFFFAOYSA-N"	TRUE	FALSE	20	1	2
"64037-00-9"	NA	NA	"Public_CrossChecked"	"CC[S+](C)CCSP(=O)(OC)OC"	"[I-]"	"InChI=1S/C7H18O3PS2/c1-5-13(4)7-6-12-11(8,9-2)10-3/h5-7H2,1-4H3/q+1"	"QPPBJZGMNKWOGZ-UHFFFAOYSA-N"	TRUE	FALSE	9.8	1	2
"64037-08-7"	"DTXSID10214030"	"Benzoxazole, 2-amino-6-bromo-5-chloro-"	"EPA_DSSTox"	"NC1=NC2=CC(Cl)=C(Br)C=C2O1"	"?"	"InChI=1S/C7H4BrClN2O/c8-3-1-6-5(2-4(3)9)11-7(10)12-6/h1-2H,(H2,10,11)"	"PEEJUZZCANIEIL-UHFFFAOYSA-N"	FALSE	FALSE	140	2	3
"64037-10-1"	"DTXSID30214032"	"Benzoxazole, 2-amino-4-chloro-"	"EPA_DSSTox"	"NC1=NC2C(Cl)=CC=CC=2O1"	"?"	"InChI=1S/C7H5ClN2O/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)"	"LMTOFAYSICBYRU-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"64037-11-2"	"DTXSID90214033"	"Benzoxazole, 2-amino-7-chloro-"	"EPA_DSSTox"	"NC1=NC2C=CC=C(Cl)C=2O1"	"?"	"InChI=1S/C7H5ClN2O/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3H,(H2,9,10)"	"ZNJCQBBJHFLQAG-UHFFFAOYSA-N"	FALSE	FALSE	410	2	4
"64037-13-4"	"DTXSID10214035"	"Benzoxazole, 2-amino-5-iodo-"	"EPA_DSSTox"	"NC1=NC2C=C(I)C=CC=2O1"	"?"	"InChI=1S/C7H5IN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)"	"VLQYRAJKFGZRNV-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"64037-14-5"	"DTXSID70214036"	"Benzoxazole, 2-amino-5-methoxy-"	"EPA_DSSTox"	"COC1C=C2N=C(N)OC2=CC=1"	"?"	"InChI=1S/C8H8N2O2/c1-11-5-2-3-7-6(4-5)10-8(9)12-7/h2-4H,1H3,(H2,9,10)"	"YCBIFQTZAQVLTQ-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"64037-16-7"	"DTXSID90214038"	"Benzoxazole, 2-amino-5-nitro-"	"EPA_DSSTox"	"NC1=NC2=CC(=CC=C2O1)[N+]([O-])=O"	"?"	"InChI=1S/C7H5N3O3/c8-7-9-5-3-4(10(11)12)1-2-6(5)13-7/h1-3H,(H2,8,9)"	"QHVCONQZXJPGQZ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"64037-18-9"	"DTXSID60214040"	"Benzoxazole, 5-chloro-2-(2-chloroacetamido)-"	"EPA_DSSTox"	"O=C(CCl)NC1=NC2C=C(Cl)C=CC=2O1"	"?"	"InChI=1S/C9H6Cl2N2O2/c10-4-8(14)13-9-12-6-3-5(11)1-2-7(6)15-9/h1-3H,4H2,(H,12,13,14)"	"DDBLLZWYBUXMDY-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"64037-21-4"	"DTXSID40214043"	"Benzoxazole, 5-chloro-2-(3-(dimethylamino)propyl)amino-"	"EPA_DSSTox"	"CN(C)CCCNC1=NC2C=C(Cl)C=CC=2O1"	"?"	"InChI=1S/C12H16ClN3O/c1-16(2)7-3-6-14-12-15-10-8-9(13)4-5-11(10)17-12/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)"	"UPXNTQIUGPERQJ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"64037-23-6"	NA	NA	"Public_CrossChecked"	"C[n]1c(=N)oc2ccc(Cl)cc12"	"?"	"InChI=1S/C8H7ClN2O/c1-11-6-4-5(9)2-3-7(6)12-8(11)10/h2-4,10H,1H3"	"IHHFWUALAIRFQB-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"64037-25-8"	"DTXSID20214046"	"Benzoxazole, 5-chloro-2-methylthio-"	"EPA_DSSTox"	"CSC1=NC2C=C(Cl)C=CC=2O1"	"?"	"InChI=1S/C8H6ClNOS/c1-12-8-10-6-4-5(9)2-3-7(6)11-8/h2-4H,1H3"	"DDQGNGANBLTNFD-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"64037-28-1"	NA	NA	"Public_CrossChecked"	"CCOC(=O)CC[n]1c(=N)oc2ccccc12"	"?"	"InChI=1S/C12H14N2O3/c1-2-16-11(15)7-8-14-9-5-3-4-6-10(9)17-12(14)13/h3-6,13H,2,7-8H2,1H3"	"CEZZCJWBLHCTMD-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"64037-29-2"	"DTXSID40214048"	"Benzoxazole-7-sulfonic acid, 2-amino-5-chloro-"	"EPA_DSSTox"	"NC1=NC2C=C(Cl)C=C(C=2O1)S(O)(=O)=O"	"?"	"InChI=1S/C7H5ClN2O4S/c8-3-1-4-6(14-7(9)10-4)5(2-3)15(11,12)13/h1-2H,(H2,9,10)(H,11,12,13)"	"GBNSTFYSASRNQI-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"64037-53-2"	NA	NA	"Public_CrossChecked"	"CC(Br)C=CCl"	"?"	"InChI=1S/C4H6BrCl/c1-4(5)2-3-6/h2-4H,1H3"	"JBFROCOYMZXIFP-UHFFFAOYSA-N"	FALSE	FALSE	74	2	3
"64037-74-7"	NA	NA	"Public_CrossChecked"	"CC(=O)C(Br)CCC(=O)OC"	"?"	"InChI=1S/C7H11BrO3/c1-5(9)6(8)3-4-7(10)11-2/h6H,3-4H2,1-2H3"	"AOWIKWNIPGIZGG-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"64037-75-8"	NA	NA	"Public_CrossChecked"	"CC(=O)C(Cl)CCC(=O)OC"	"?"	"InChI=1S/C7H11ClO3/c1-5(9)6(8)3-4-7(10)11-2/h6H,3-4H2,1-2H3"	"YUCXDPOYXKHKRS-UHFFFAOYSA-N"	FALSE	TRUE	2049	3	5
"64039-28-7"	"DTXSID90214078"	"2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, sodium salt, monohydrate"	"EPA_DSSTox"	"CC(=O)C1C(=O)C=C(C)OC1=O"	"[Na+].O"	"InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3"	"PGRHXDWITVMQBC-UHFFFAOYSA-N"	FALSE	FALSE	706	3	4
"64047-34-3"	"DTXSID00214120"	"Acetic acid, bis(p-chlorophenyl)-, sodium salt"	"EPA_DSSTox"	"OC(=O)C(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1"	"[Na+]"	"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"	FALSE	FALSE	600	3	4
"64047-35-4"	"DTXSID60214121"	"Acetic acid, dichlorophenoxy-, butyl ester"	"EPA_DSSTox"	"CCCCOC(=O)C(Cl)(Cl)OC1C=CC=CC=1"	"?"	"InChI=1S/C12H14Cl2O3/c1-2-3-9-16-11(15)12(13,14)17-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3"	"SIELAEDSLMYTRT-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"64047-47-8"	NA	NA	"Public_CrossChecked"	"CC(C)C(Br)C(=O)OCC(Br)(Br)Br"	"?"	"InChI=1S/C7H10Br4O2/c1-4(2)5(8)6(12)13-3-7(9,10)11/h4-5H,3H2,1-2H3"	"OSZOQLCMBZVJQQ-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"64047-48-9"	NA	NA	"Public_CrossChecked"	"CC(C)C(Br)C(=O)OCC(Cl)(Cl)Cl"	"?"	"InChI=1S/C7H10BrCl3O2/c1-4(2)5(8)6(12)13-3-7(9,10)11/h4-5H,3H2,1-2H3"	"QLWAWPABINQVLJ-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"64049-26-9"	NA	NA	"Public_CrossChecked"	"CN(C)CCN(CC)C1C=CC=CC=1"	"Cl"	"InChI=1S/C12H20N2/c1-4-14(11-10-13(2)3)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3"	"FWAWELGQRMERND-UHFFFAOYSA-N"	FALSE	FALSE	1150	3	4
"64049-33-8"	NA	NA	"Public_CrossChecked"	"CC(=O)NC1C=CC=C2C=1N(C)C1=CC=CC=C21"	"[Cl-]"	"InChI=1S/C15H14N2O/c1-10(18)16-13-8-5-7-12-11-6-3-4-9-14(11)17(2)15(12)13/h3-9H,1-2H3,(H,16,18)"	"DTEFASTUUPCUTI-UHFFFAOYSA-N"	FALSE	TRUE	3115	3	5
"64050-03-9"	NA	NA	"Public_CrossChecked"	"CC1C=CC(=CC=1OC(=O)NC)[N+](C)(C)C"	"[Cl-]"	"InChI=1S/C12H18N2O2/c1-9-6-7-10(14(3,4)5)8-11(9)16-12(15)13-2/h6-8H,1-5H3/p+1"	"WAAZDNJMKNYTAI-UHFFFAOYSA-O"	TRUE	FALSE	2.5	1	1
"64050-15-3"	NA	NA	"Public_CrossChecked"	"CCOCCCOC(=O)C=C"	"?"	"InChI=1S/C8H14O3/c1-3-8(9)11-7-5-6-10-4-2/h3H,1,4-7H2,2H3"	"UACBZRBYLSMNGV-UHFFFAOYSA-N"	FALSE	FALSE	820	3	4
"64050-52-8"	"DTXSID90214179"	"Phosphoric acid, diethyl ester, ester with 6-chloro-3-(hydroxymethyl)-2-benzoxazolinone"	"EPA_DSSTox"	"CCOP(=O)(OCN1C2=CC=C(Cl)C=C2OC1=O)OCC"	"?"	"InChI=1S/C12H15ClNO6P/c1-3-17-21(16,18-4-2)19-8-14-10-6-5-9(13)7-11(10)20-12(14)15/h5-7H,3-4,8H2,1-2H3"	"BZIQCYRISUEEKT-UHFFFAOYSA-N"	TRUE	FALSE	35	1	2
"64050-54-0"	"DTXSID60214181"	"1H-Benz(de)isoquinoline-1,3(2H)-dione, 2-((dimethoxyphosphinyl)oxy)-"	"EPA_DSSTox"	"COP(=O)(ON1C(=O)C2C=CC=C3C=CC=C(C3=2)C1=O)OC"	"?"	"InChI=1S/C14H12NO6P/c1-19-22(18,20-2)21-15-13(16)10-7-3-5-9-6-4-8-11(12(9)10)14(15)17/h3-8H,1-2H3"	"SFWMYVAUEVMHSH-UHFFFAOYSA-N"	FALSE	FALSE	70	2	3
"64050-57-3"	"DTXSID20214182"	"Phosphorodithioic acid, S-(((o-chlorophenyl)thio)methyl) O,O-dimethyl ester"	"EPA_DSSTox"	"COP(=S)(OC)SCSC1=CC=CC=C1Cl"	"?"	"InChI=1S/C9H12ClO2PS3/c1-11-13(14,12-2)16-7-15-9-6-4-3-5-8(9)10/h3-6H,7H2,1-2H3"	"VBEFFJACEISDRO-UHFFFAOYSA-N"	TRUE	FALSE	13	1	2
"64050-59-5"	NA	NA	"Public_CrossChecked"	"COP(=S)(OC)SCSC1C=C(Cl)C=C(Cl)C=1"	"?"	"InChI=1S/C9H11Cl2O2PS3/c1-12-14(15,13-2)17-6-16-9-4-7(10)3-8(11)5-9/h3-5H,6H2,1-2H3"	"UKAXMISVVBWCBQ-UHFFFAOYSA-N"	FALSE	FALSE	443	2	4
"64050-66-4"	NA	NA	"Public_CrossChecked"	"CCCOP(=O)(OC=C(Cl)Cl)OCCCl"	"?"	"InChI=1S/C7H12Cl3O4P/c1-2-4-12-15(11,13-5-3-8)14-6-7(9)10/h6H,2-5H2,1H3"	"UVHUICINDSEUQN-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"64050-72-2"	NA	NA	"Public_CrossChecked"	"COP(=O)(OC(Cl)C(Cl)(Br)Br)OC"	"?"	"InChI=1S/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(7)4(5,6)8/h3H,1-2H3"	"BAVBTSMRGZYBOQ-UHFFFAOYSA-N"	TRUE	FALSE	49	1	2
"64050-87-9"	NA	NA	"Public_CrossChecked"	"CCOC(C)C[N+](C)(C)C"	"[Cl-]"	"InChI=1S/C8H20NO/c1-6-10-8(2)7-9(3,4)5/h8H,6-7H2,1-5H3/q+1"	"NTTQMSRKJUBUBR-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"64057-54-1"	NA	NA	"Public_CrossChecked"	"CN(C)CCN(C)C(=O)C(OCC)(C1C=CC=CC=1)C1C=CC=CC=1"	"[Cl-]"	"InChI=1S/C21H28N2O2/c1-5-25-21(18-12-8-6-9-13-18,19-14-10-7-11-15-19)20(24)23(4)17-16-22(2)3/h6-15H,5,16-17H2,1-4H3"	"MXJLALSFNPASLT-UHFFFAOYSA-N"	FALSE	FALSE	565	3	4
"64057-58-5"	"DTXSID00214206"	"Trichloromethyl allyl perthioxanthate"	"EPA_DSSTox"	"C=CCSC(=S)SC(Cl)(Cl)Cl"	"?"	"InChI=1S/C5H5Cl3S3/c1-2-3-10-4(9)11-5(6,7)8/h2H,1,3H2"	"YIAUQSKJQIDQQA-UHFFFAOYSA-N"	FALSE	TRUE	2180	3	5
"64057-86-9"	NA	NA	"Public_CrossChecked"	"CCOCCOCCOC1C=CC=CC=1"	"?"	"InChI=1S/C12H18O3/c1-2-13-8-9-14-10-11-15-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3"	"VOLUQLBPFZVGEH-UHFFFAOYSA-N"	FALSE	TRUE	2140	3	5
"64057-88-1"	NA	NA	"Public_CrossChecked"	"CN1C2C=CC(N)=CC=2C2CCCCC1=2"	"[Cl-]"	"InChI=1S/C13H16N2/c1-15-12-5-3-2-4-10(12)11-8-9(14)6-7-13(11)15/h6-8H,2-5,14H2,1H3"	"ILLSWUPMFRIENE-UHFFFAOYSA-N"	FALSE	FALSE	229	2	3
"64057-89-2"	NA	NA	"Public_CrossChecked"	"CCCN1C2=CC=C(N)C=C2C2C=CC=CC1=2"	"[Cl-]"	"InChI=1S/C15H16N2/c1-2-9-17-14-6-4-3-5-12(14)13-10-11(16)7-8-15(13)17/h3-8,10H,2,9,16H2,1H3"	"QCRRYSJADIODGZ-UHFFFAOYSA-N"	FALSE	FALSE	423	2	4
"64057-91-6"	NA	NA	"Public_CrossChecked"	"NC1C=C2NC3CCCCC=3C2=CC=1"	"[Cl-]"	"InChI=1S/C12H14N2/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h5-7,14H,1-4,13H2"	"RCZBVAYCYKDHCO-UHFFFAOYSA-N"	FALSE	FALSE	290	2	3
"64057-98-3"	NA	NA	"Public_CrossChecked"	"NC1C=C2C(=CC=1)NC1C=CC(N)=CC=12"	"[Cl-].[Cl-]"	"InChI=1S/C12H11N3/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,15H,13-14H2"	"YCZUWQOJQGCZKG-UHFFFAOYSA-N"	FALSE	FALSE	1035	3	4
"64058-22-6"	NA	NA	"Public_CrossChecked"	"CCCN=C(C(OCC)C1C=CC=CC=1)N1CCCCCC1"	"?"	"InChI=1S/C19H30N2O/c1-3-14-20-19(21-15-10-5-6-11-16-21)18(22-4-2)17-12-8-7-9-13-17/h7-9,12-13,18H,3-6,10-11,14-16H2,1-2H3"	"BAZJSTYFKLUZCJ-UHFFFAOYSA-N"	FALSE	FALSE	220	2	3
"64058-23-7"	NA	NA	"Public_CrossChecked"	"CCCN=C(C(OC)C1C=CC=CC=1)N1CCCCCC1"	"?"	"InChI=1S/C18H28N2O/c1-3-13-19-18(20-14-9-4-5-10-15-20)17(21-2)16-11-7-6-8-12-16/h6-8,11-12,17H,3-5,9-10,13-15H2,1-2H3"	"DFKPLEFEIVTTOH-UHFFFAOYSA-N"	FALSE	FALSE	55	2	3
"64058-98-6"	NA	NA	"Public_CrossChecked"	"CCOC(/C(/NCCCC)=N/CCCC)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C18H29ClN2O/c1-4-7-13-20-18(21-14-8-5-2)17(22-6-3)15-9-11-16(19)12-10-15/h9-12,17H,4-8,13-14H2,1-3H3,(H,20,21)"	"PGLFIQWIIGDSJA-UHFFFAOYSA-N"	FALSE	FALSE	220	2	3
"64059-01-4"	NA	NA	"Public_CrossChecked"	"CCOC(/C(/NCCC)=N/CCC)C1C=CC=CC=1"	"?"	"InChI=1S/C16H26N2O/c1-4-12-17-16(18-13-5-2)15(19-6-3)14-10-8-7-9-11-14/h7-11,15H,4-6,12-13H2,1-3H3,(H,17,18)"	"ZXMBLDHVLJGNSK-UHFFFAOYSA-N"	FALSE	FALSE	95	2	3
"64059-37-6"	NA	NA	"Public_CrossChecked"	"CC(C)C(Br)C(=O)OC(C)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C8H12BrCl3O2/c1-4(2)6(9)7(13)14-5(3)8(10,11)12/h4-6H,1-3H3"	"XUWCEPTXFCXEEX-UHFFFAOYSA-N"	FALSE	FALSE	1200	3	4
"6406-56-0"	"DTXSID30884294"	"Benzenesulfonic acid, 4-[2-[4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]phenyl]diazenyl]-, sodium salt (1:1)"	"EPA_DSSTox"	"OC1=CC=C2C=CC=CC2=C1N=NC1C=CC(=CC=1)N=NC1C=CC(=CC=1)S(O)(=O)=O"	"[Na+]"	"InChI=1S/C22H16N4O4S/c27-21-14-5-15-3-1-2-4-20(15)22(21)26-25-17-8-6-16(7-9-17)23-24-18-10-12-19(13-11-18)31(28,29)30/h1-14,27H,(H,28,29,30)"	"LEYJJTBJCFGAQN-UHFFFAOYSA-N"	FALSE	TRUE	7736	4	5
"64070-13-9"	NA	NA	"Public_CrossChecked"	"NCC1CCC(N)C(O1)OC1C(O)C(OC2OC(CO)C(O)C(N)C2O)C(N)CC1N"	"[O-]S(=O)(=O)[O-]"	"InChI=1S/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18/h6-18,24-27H,1-5,19-23H2"	"JJCQSGDBDPYCEO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"64092-48-4"	"DTXSID3033989"	"Sodium zomepirac"	"EPA_DSSTox"	"CC1C=C(CC(O)=O)N(C)C=1C(=O)C1C=CC(Cl)=CC=1"	"[Na+]"	"InChI=1S/C15H14ClNO3/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10/h3-7H,8H2,1-2H3,(H,18,19)"	"ZXVNMYWKKDOREA-UHFFFAOYSA-N"	TRUE	FALSE	27	1	2
"64118-86-1"	NA	NA	"Public_CrossChecked"	"CC(C)(N1CC1C(N)=O)N1CC1C#N"	"?"	"InChI=1S/C9H14N4O/c1-9(2,12-4-6(12)3-10)13-5-7(13)8(11)14/h6-7H,4-5H2,1-2H3,(H2,11,14)"	"RPZOFMHRRHHDPZ-UHFFFAOYSA-N"	FALSE	TRUE	3100	3	5
"6413-10-1"	"DTXSID3041241"	"1,3-Dioxolane-2-acetic acid, 2-methyl-, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)CC1(C)OCCO1"	"?"	"InChI=1S/C8H14O4/c1-3-10-7(9)6-8(2)11-4-5-12-8/h3-6H2,1-2H3"	"XWEOGMYZFCHQNT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"641571-11-1"	"DTXSID10475604"	"3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline"	"EPA_DSSTox"	"CC1=CN(C=N1)C1C=C(N)C=C(C=1)C(F)(F)F"	"?"	"InChI=1S/C11H10F3N3/c1-7-5-17(6-16-7)10-3-8(11(12,13)14)2-9(15)4-10/h2-6H,15H2,1H3"	"WWTGXYAJVXKEKL-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"6416-68-8"	"DTXSID4064341"	"Benzenesulfonic acid, 5-(2H-naphtho[1,2-d]triazol-2-yl)-2-(2-phenylethenyl)-, sodium salt"	"EPA_DSSTox"	"OS(=O)(=O)C1=CC(=CC=C1C=CC1C=CC=CC=1)N1N=C2C=CC3C=CC=CC=3C2=N1"	"[Na+]"	"InChI=1S/C24H17N3O3S/c28-31(29,30)23-16-20(14-12-19(23)11-10-17-6-2-1-3-7-17)27-25-22-15-13-18-8-4-5-9-21(18)24(22)26-27/h1-16H,(H,28,29,30)"	"NERFNEXXWTXEMR-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"642-15-9"	"DTXSID3058668"	"Antimycin A1"	"EPA_DSSTox"	"CC(C)CC(=O)OC1C(CCCCCC)C(=O)OC(C)C(NC(=O)C2C=CC=C(NC=O)C=2O)C(=O)OC1C"	"?"	"InChI=1S/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)"	"UIFFUZWRFRDZJC-UHFFFAOYSA-N"	FALSE	FALSE	1469	3	4
"642-78-4"	"DTXSID4045551"	"Cloxacillin sodium"	"EPA_DSSTox"	"CC1ON=C(C=1C(=O)NC1C2SC(C)(C)C(C(O)=O)N2C1=O)C1=CC=CC=C1Cl"	"[Na+]"	"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"	FALSE	TRUE	5001	4	5
"642-83-1"	"DTXSID0048848"	"Aceglatone"	"EPA_DSSTox"	"CC(=O)OC1C2OC(=O)C(OC(C)=O)C2OC1=O"	"?"	"InChI=1S/C10H10O8/c1-3(11)15-7-5-6(18-9(7)13)8(10(14)17-5)16-4(2)12/h5-8H,1-2H3"	"ZOZKYEHVNDEUCO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"64211-46-7"	"DTXSID2045943"	"Oxiconazole nitrate"	"EPA_DSSTox"	"ClC1=CC(Cl)=CC=C1C(CN1C=NC=C1)=NOCC1=CC=C(Cl)C=C1Cl"	"O[N+]([O-])=O"	"InChI=1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2"	"QRJJEGAJXVEBNE-UHFFFAOYSA-N"	FALSE	TRUE	2458	3	5
"64218-02-6"	NA	NA	"Public_CrossChecked"	"CC(C)=CCCC(C)=CCCC(CO)=CCCC(C)=CCO"	"?"	"InChI=1S/C20H34O2/c1-17(2)8-5-9-18(3)10-6-12-20(16-22)13-7-11-19(4)14-15-21/h8,10,13-14,21-22H,5-7,9,11-12,15-16H2,1-4H3"	"SUWYPNNPLSRNPS-UHFFFAOYSA-N"	FALSE	TRUE	10900	4	5
"6422-83-9"	"DTXSID6052326"	"Toluene-2,4-dimaleimide"	"EPA_DSSTox"	"CC1C=CC(=CC=1N1C(=O)C=CC1=O)N1C(=O)C=CC1=O"	"?"	"InChI=1S/C15H10N2O4/c1-9-2-3-10(16-12(18)4-5-13(16)19)8-11(9)17-14(20)6-7-15(17)21/h2-8H,1H3"	"FJKKJQRXSPFNPM-UHFFFAOYSA-N"	FALSE	TRUE	2400	3	5
"6423-43-4"	"DTXSID7027627"	"1,2-Propanediol, dinitrate"	"EPA_DSSTox"	"CC(CO[N+]([O-])=O)O[N+]([O-])=O"	"?"	"InChI=1S/C3H6N2O6/c1-3(11-5(8)9)2-10-4(6)7/h3H,2H2,1H3"	"PSXCGTLGGVDWFU-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"64241-34-5"	"DTXSID4048725"	"Cadralazine"	"EPA_DSSTox"	"CC(O)CN(CC)C1=CC=C(NNC(=O)OCC)N=N1"	"?"	"InChI=1S/C12H21N5O3/c1-4-17(8-9(3)18)11-7-6-10(13-15-11)14-16-12(19)20-5-2/h6-7,9,18H,4-5,8H2,1-3H3,(H,13,14)(H,16,19)"	"QLTVVOATEHFXLT-UHFFFAOYSA-N"	FALSE	TRUE	2060	3	5
"64249-01-0"	"DTXSID5058149"	"Anilofos"	"EPA_DSSTox"	"CC(C)N(C(=O)CSP(=S)(OC)OC)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C13H19ClNO3PS2/c1-10(2)15(12-7-5-11(14)6-8-12)13(16)9-21-19(20,17-3)18-4/h5-8,10H,9H2,1-4H3"	"NXQDBZGWYSEGFL-UHFFFAOYSA-N"	FALSE	FALSE	472	2	4
"6425-07-6"	"DTXSID00214468"	"C.I. 62580"	"EPA_DSSTox"	"OC1=CC=C2C(C(=O)C3C(=C(C=CC=3NC3C=CC(O)=CC=3)NC3C=CC(O)=CC=3)C2=O)=C1O"	"?"	"InChI=1S/C26H18N2O6/c29-15-5-1-13(2-6-15)27-18-10-11-19(28-14-3-7-16(30)8-4-14)23-22(18)24(32)17-9-12-20(31)25(33)21(17)26(23)34/h1-12,27-31,33H"	"PBVYXXPFUZWOCJ-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"6425-08-7"	"DTXSID60214469"	"Morpholine, 4,4'-benzylidenedi- (7CI,8CI)"	"EPA_DSSTox"	"C1COCCN1C(C1C=CC=CC=1)N1CCOCC1"	"?"	"InChI=1S/C15H22N2O2/c1-2-4-14(5-3-1)15(16-6-10-18-11-7-16)17-8-12-19-13-9-17/h1-5,15H,6-13H2"	"OXZAQXLHJGERIN-UHFFFAOYSA-N"	FALSE	TRUE	5060	4	5
"64257-84-7"	"DTXSID0024002"	"Fenpropathrin"	"EPA_DSSTox"	"CC1(C)C(C(=O)OC(C#N)C2=CC(=CC=C2)OC2C=CC=CC=2)C1(C)C"	"?"	"InChI=1S/C22H23NO3/c1-21(2)19(22(21,3)4)20(24)26-18(14-23)15-9-8-12-17(13-15)25-16-10-6-5-7-11-16/h5-13,18-19H,1-4H3"	"XQUXKZZNEFRCAW-UHFFFAOYSA-N"	FALSE	FALSE	66.7	2	3
"6428-31-5"	"DTXSID3064356"	"C.I. Direct Black 19, disodium salt"	"EPA_DSSTox"	"NC1C=C(N)C=CC=1N=NC1C=CC(=CC=1)N=NC1C(=CC2C=C(C(N=NC3C=CC(=CC=3)N=NC3C=CC(N)=CC=3N)=C(O)C=2C=1N)S(O)(=O)=O)S(O)(=O)=O"	"[Na+].[Na+]"	"InChI=1S/C34H29N13O7S2/c35-18-1-11-26(24(37)15-18)44-40-20-3-7-22(8-4-20)42-46-32-28(55(49,50)51)13-17-14-29(56(52,53)54)33(34(48)30(17)31(32)39)47-43-23-9-5-21(6-10-23)41-45-27-12-2-19(36)16-25(27)38/h1-16,48H,35-39H2,(H,49,50,51)(H,52,53,54)"	"YILRCDLYJGTFTH-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"6429-04-5"	NA	NA	"Public_CrossChecked"	"COC1=CC2CCNC(CC3=CC(OC)=C(C=C3)OC)C=2C=C1OC"	"?"	"InChI=1S/C20H25NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-6,10-12,16,21H,7-9H2,1-4H3"	"YXWQTVWJNHKSCC-UHFFFAOYSA-N"	FALSE	FALSE	700	3	4
"643-28-7"	"DTXSID6052328"	"2-Isopropylaniline"	"EPA_DSSTox"	"CC(C)C1C=CC=CC=1N"	"?"	"InChI=1S/C9H13N/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,10H2,1-2H3"	"YKOLZVXSPGIIBJ-UHFFFAOYSA-N"	FALSE	FALSE	1180	3	4
"6434-38-4"	NA	NA	"Public_CrossChecked"	"CN(C)C(=O)CN1C(=O)C2C(C3C(=CC2C3=C(C2C=CC=CN=2)C2C=CC=CC=2)C(O)(C2C=CC=CN=2)C2C=CC=CC=2)C1=O"	"?"	"InChI=1S/C37H32N4O4/c1-40(2)29(42)22-41-35(43)32-25-21-26(37(45,24-15-7-4-8-16-24)28-18-10-12-20-39-28)33(34(32)36(41)44)31(25)30(23-13-5-3-6-14-23)27-17-9-11-19-38-27/h3-21,25,32-34,45H,22H2,1-2H3"	"KBNCEOBCRNFEAY-UHFFFAOYSA-N"	TRUE	FALSE	5.9	1	2
"64354-92-3"	"DTXSID4028123"	"Propanenitrile, 3-(isodecyloxy)-"	"EPA_DSSTox"	"CC(C)CCCCCCCOCCC#N"	"?"	"InChI=1S/C13H25NO/c1-13(2)9-6-4-3-5-7-11-15-12-8-10-14/h13H,3-9,11-12H2,1-2H3"	"XDCQMQXLBGPTHH-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"64357-33-1"	"DTXSID50214574"	"4-Butyl-2'-fluorobenzophenone"	"EPA_DSSTox"	"CCCCC1C=CC(=CC=1)C(=O)C1=CC=CC=C1F"	"?"	"InChI=1S/C17H17FO/c1-2-3-6-13-9-11-14(12-10-13)17(19)15-7-4-5-8-16(15)18/h4-5,7-12H,2-3,6H2,1H3"	"HBAUGXMMWXCUJD-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"6436-04-0"	NA	NA	"Public_CrossChecked"	"COP(=S)(OC)SC1CCC2C=CCC1S2"	"?"	"InChI=1S/C10H17O2PS3/c1-11-13(14,12-2)16-10-7-6-8-4-3-5-9(10)15-8/h3-4,8-10H,5-7H2,1-2H3"	"LXMOCKSOJYUBRI-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"6436-05-1"	NA	NA	"Public_CrossChecked"	"CCOP(=S)(OCC)SC1CCC2C=CCC1S2"	"?"	"InChI=1S/C12H21O2PS3/c1-3-13-15(16,14-4-2)18-12-9-8-10-6-5-7-11(12)17-10/h5-6,10-12H,3-4,7-9H2,1-2H3"	"NXJGGWXIRDPAGW-UHFFFAOYSA-N"	FALSE	FALSE	140	2	3
"64380-46-7"	NA	NA	"Public_CrossChecked"	"COC1C=CC=CC=1C=NC1C=CC=CC=1C(O)=O"	"?"	"InChI=1S/C15H13NO3/c1-19-14-9-5-2-6-11(14)10-16-13-8-4-3-7-12(13)15(17)18/h2-10H,1H3,(H,17,18)"	"VBJSOORMEJMHJC-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"64399-29-7"	"DTXSID50874233"	"4H-PYRIDO[1,2-A]PYRIMIDINE-3-CARBOXAMIDE, 1,6,7,"	"EPA_DSSTox"	"CN1C=C(C(=O)N2C(C)CCC=C12)C(=N)O"	"?"	"InChI=1S/C11H15N3O2/c1-7-4-3-5-9-13(2)6-8(10(12)15)11(16)14(7)9/h5-7H,3-4H2,1-2H3,(H2,12,15)"	"OVTCEDCBXAYKQZ-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"644-35-9"	"DTXSID9047702"	"2-Propylphenol"	"EPA_DSSTox"	"CCCC1C=CC=CC=1O"	"?"	"InChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3"	"LCHYEKKJCUJAKN-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"644-62-2"	"DTXSID0048559"	"Meclofenamic acid"	"EPA_DSSTox"	"CC1=CC=C(Cl)C(NC2C=CC=CC=2C(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"	FALSE	FALSE	100	2	3
"644-64-4"	"DTXSID2041880"	"Dimetilan"	"EPA_DSSTox"	"CC1=CC(=NN1C(=O)N(C)C)OC(=O)N(C)C"	"?"	"InChI=1S/C10H16N4O3/c1-7-6-8(17-10(16)13(4)5)11-14(7)9(15)12(2)3/h6H,1-5H3"	"RDBIYWSVMRVKSG-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"644-97-3"	"DTXSID4027282"	"Phenyl phosphorus dichloride"	"EPA_DSSTox"	"ClP(Cl)C1C=CC=CC=1"	"?"	"InChI=1S/C6H5Cl2P/c7-9(8)6-4-2-1-3-5-6/h1-5H"	"IMDXZWRLUZPMDH-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"6440-58-0"	"DTXSID8035217"	"1,3-Dimethylol-5,5-dimethylhydantoin"	"EPA_DSSTox"	"CC1(C)C(=O)N(CO)C(=O)N1CO"	"?"	"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"	FALSE	TRUE	2001	3	5
"64461-82-1"	"DTXSID9046990"	"Tizanidine hydrochloride"	"EPA_DSSTox"	"ClC1C=CC2=NSN=C2C=1NC1NCCN=1"	"Cl"	"InChI=1S/C9H8ClN5S/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9/h1-2H,3-4H2,(H2,11,12,13)"	"XFYDIVBRZNQMJC-UHFFFAOYSA-N"	FALSE	FALSE	414	2	4
"64485-93-4"	"DTXSID4046991"	"Cefotaxime sodium"	"EPA_DSSTox"	"CC(=O)OCC1CSC2C(NC(=O)C(=NOC)C3=CSC(N)=N3)C(=O)N2C=1C(O)=O"	"[Na+]"	"InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)"	"GPRBEKHLDVQUJE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"64490-92-2"	"DTXSID5045594"	"Tolmetin sodium"	"EPA_DSSTox"	"CC1C=CC(=CC=1)C(=O)C1=CC=C(CC(O)=O)N1C"	"O.O.[Na+]"	"InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)"	"UPSPUYADGBWSHF-UHFFFAOYSA-N"	FALSE	FALSE	914	3	4
"645-05-6"	"DTXSID4022579"	"Hexamethylmelamine"	"EPA_DSSTox"	"CN(C)C1N=C(N=C(N=1)N(C)C)N(C)C"	"?"	"InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3"	"UUVWYPNAQBNQJQ-UHFFFAOYSA-N"	FALSE	FALSE	350	2	4
"645-56-7"	"DTXSID9022100"	"4-Propylphenol"	"EPA_DSSTox"	"CCCC1=CC=C(O)C=C1"	"?"	"InChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3"	"KLSLBUSXWBJMEC-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"645-62-5"	"DTXSID4025296"	"2-Ethyl-2-hexenal"	"EPA_DSSTox"	"CCCC=C(CC)C=O"	"?"	"InChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h6-7H,3-5H2,1-2H3"	"PYLMCYQHBRSDND-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"64506-49-6"	"DTXSID5023586"	"Sofalcone"	"EPA_DSSTox"	"CC(C)=CCOC1C=C(OCC(O)=O)C(=CC=1)C(=O)C=CC1C=CC(=CC=1)OCC=C(C)C"	"?"	"InChI=1S/C27H30O6/c1-19(2)13-15-31-22-8-5-21(6-9-22)7-12-25(28)24-11-10-23(32-16-14-20(3)4)17-26(24)33-18-27(29)30/h5-14,17H,15-16,18H2,1-4H3,(H,29,30)"	"GFWRVVCDTLRWPK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"6452-73-9"	"DTXSID5021093"	"Oxprenolol hydrochloride"	"EPA_DSSTox"	"CC(C)NCC(O)COC1C=CC=CC=1OCC=C"	"Cl"	"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"	FALSE	FALSE	214	2	3
"64529-56-2"	"DTXSID1041926"	"Ethiozin"	"EPA_DSSTox"	"CCSC1=NN=C(C(=O)N1N)C(C)(C)C"	"?"	"InChI=1S/C9H16N4OS/c1-5-15-8-12-11-6(9(2,3)4)7(14)13(8)10/h5,10H2,1-4H3"	"ADZSGNDOZREKJK-UHFFFAOYSA-N"	FALSE	FALSE	599	3	4
"64532-95-2"	"DTXSID00214802"	"Phenol, 2-(1-methylethyl)-, phosphate (3:1)"	"EPA_DSSTox"	"CC(C)C1=CC=CC=C1OP(=O)(OC1=CC=CC=C1C(C)C)OC1=CC=CC=C1C(C)C"	"?"	"InChI=1S/C27H33O4P/c1-19(2)22-13-7-10-16-25(22)29-32(28,30-26-17-11-8-14-23(26)20(3)4)31-27-18-12-9-15-24(27)21(5)6/h7-21H,1-6H3"	"LIPMRGQQBZJCTM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"64544-07-6"	"DTXSID0022775"	"Cefuroxime axetil"	"EPA_DSSTox"	"CC(=O)OC(C)OC(=O)C1=C(COC(N)=O)CSC2C(NC(=O)C(=NOC)C3=CC=CO3)C(=O)N12"	"?"	"InChI=1S/C20H22N4O10S/c1-9(25)33-10(2)34-19(28)15-11(7-32-20(21)29)8-35-18-14(17(27)24(15)18)22-16(26)13(23-30-3)12-5-4-6-31-12/h4-6,10,14,18H,7-8H2,1-3H3,(H2,21,29)(H,22,26)"	"KEJCWVGMRLCZQQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"6458-13-5"	"DTXSID3041956"	"Ethyl dimethyl oleyl ammonium bromide"	"EPA_DSSTox"	"CCCCCCCCC=CCCCCCCCC[N+](C)(C)CC"	"[Br-]"	"InChI=1S/C22H46N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(3,4)6-2/h13-14H,5-12,15-22H2,1-4H3/q+1"	"WABIMBGBOXIAEH-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"646-06-0"	"DTXSID4027284"	"1,3-Dioxolane"	"EPA_DSSTox"	"C1OCCO1"	"?"	"InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2"	"WNXJIVFYUVYPPR-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"646-07-1"	"DTXSID8060951"	"Pentanoic acid, 4-methyl-"	"EPA_DSSTox"	"CC(C)CCC(O)=O"	"?"	"InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)"	"FGKJLKRYENPLQH-UHFFFAOYSA-N"	FALSE	TRUE	2050	3	5
"64628-44-0"	"DTXSID5034355"	"Triflumuron"	"EPA_DSSTox"	"O=C(NC1C=CC(=CC=1)OC(F)(F)F)NC(=O)C1C=CC=CC=1Cl"	"?"	"InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)"	"XAIPTRIXGHTTNT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"64632-00-4"	"DTXSID60214883"	"1H-1,2,4-Triazole-1-carboxamide, 3-tert-butyl-N,N-dimethyl-5-(methylthio)-"	"EPA_DSSTox"	"CN(C)C(=O)N1N=C(N=C1SC)C(C)(C)C"	"?"	"InChI=1S/C10H18N4OS/c1-10(2,3)7-11-8(16-6)14(12-7)9(15)13(4)5/h1-6H3"	"KTNASTXPFZXJSJ-UHFFFAOYSA-N"	TRUE	FALSE	15	1	2
"64748-15-8"	"DTXSID00215071"	"Acetamide, 2-chloro-2,2-difluoro-N-(2-methyl-4-(((methylamino)carbonyl)oxy)phenyl)-"	"EPA_DSSTox"	"CC1=CC(=CC=C1NC(=O)C(F)(F)Cl)OC(=O)NC"	"?"	"InChI=1S/C11H11ClF2N2O3/c1-6-5-7(19-10(18)15-2)3-4-8(6)16-9(17)11(12,13)14/h3-5H,1-2H3,(H,15,18)(H,16,17)"	"FJMLXADCKBVTLN-UHFFFAOYSA-N"	TRUE	FALSE	48.5	1	2
"64748-21-6"	"DTXSID9073593"	"Ethanesulfonamide, N-[2,6-dimethyl-4-[[(methylamino)carbonyl]oxy]phenyl]-"	"EPA_DSSTox"	"CNC(=O)OC1=CC(C)=C(NS(=O)(=O)CC)C(C)=C1"	"?"	"InChI=1S/C12H18N2O4S/c1-5-19(16,17)14-11-8(2)6-10(7-9(11)3)18-12(15)13-4/h6-7,14H,5H2,1-4H3,(H,13,15)"	"VAHSXEQRMYBGGI-UHFFFAOYSA-N"	FALSE	FALSE	780	3	4
"6483-15-4"	"DTXSID90215126"	"Sophocarpine"	"EPA_DSSTox"	"O=C1C=CCC2C3CCCN4CCCC(CN12)C43"	"?"	"InChI=1S/C15H22N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,7,11-13,15H,2-6,8-10H2"	"AAGFPTSOPGCENQ-UHFFFAOYSA-N"	FALSE	FALSE	196	2	3
"6485-40-1"	"DTXSID7041413"	"R-(-)-Carvone"	"EPA_DSSTox"	"CC1=CCC(CC1=O)C(C)=C"	"?"	"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"	FALSE	TRUE	4900	3	5
"6485-91-2"	NA	NA	"Public_CrossChecked"	"CCO[SiH](Cl)OCC"	"?"	"InChI=1S/C4H11ClO2Si/c1-3-6-8(5)7-4-2/h8H,3-4H2,1-2H3"	"WHYRMRWGLUKQTI-UHFFFAOYSA-N"	FALSE	TRUE	6300	4	5
"64872-77-1"	"DTXSID6045452"	"Butoconazole nitrate"	"EPA_DSSTox"	"ClC1C=CC=C(Cl)C=1SC(CN1C=NC=C1)CCC1C=CC(Cl)=CC=1"	"[N+]([O-])(=O)O"	"InChI=1S/C19H17Cl3N2S/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22/h1-5,7-8,10-11,13,16H,6,9,12H2"	"SWLMUYACZKCSHZ-UHFFFAOYSA-N"	FALSE	FALSE	1720	3	4
"64896-26-0"	"DTXSID2020133"	"Benzalazine"	"EPA_DSSTox"	"OC(=O)C1C=CC(=CC=1)N=NC1C=C(C(O)=CC=1)C(O)=O"	"?"	"InChI=1S/C14H10N2O5/c17-12-6-5-10(7-11(12)14(20)21)16-15-9-3-1-8(2-4-9)13(18)19/h1-7,17H,(H,18,19)(H,20,21)"	"JNVGBRQYZHTBTP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"64896-70-4"	"DTXSID60215219"	"Isosorbide dicaprylate"	"EPA_DSSTox"	"CCCCCCCC(=O)OC1COC2C1OCC2OC(=O)CCCCCCC"	"?"	"InChI=1S/C22H38O6/c1-3-5-7-9-11-13-19(23)27-17-15-25-22-18(16-26-21(17)22)28-20(24)14-12-10-8-6-4-2/h17-18,21-22H,3-16H2,1-2H3"	"BIOGOMUNGWOQHV-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"64902-72-3"	"DTXSID7023980"	"Chlorsulfuron"	"EPA_DSSTox"	"CC1N=C(N=C(NC(=O)NS(=O)(=O)C2C=CC=CC=2Cl)N=1)OC"	"?"	"InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)"	"VJYIFXVZLXQVHO-UHFFFAOYSA-N"	FALSE	TRUE	5545	4	5
"64910-63-0"	"DTXSID10215224"	"1-Butanesulfonamide, N-cyclohexyl-"	"EPA_DSSTox"	"CCCCS(=O)(=O)NC1CCCCC1"	"?"	"InChI=1S/C10H21NO2S/c1-2-3-9-14(12,13)11-10-7-5-4-6-8-10/h10-11H,2-9H2,1H3"	"MBMOGJGVYAHBLN-UHFFFAOYSA-N"	FALSE	TRUE	2816	3	5
"6493-05-6"	"DTXSID7023437"	"Pentoxifylline"	"EPA_DSSTox"	"CC(=O)CCCCN1C(=O)N(C)C2N=CN(C)C=2C1=O"	"?"	"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"	FALSE	FALSE	1170	3	4
"64951-25-3"	"DTXSID20215255"	"Benzamide, N-(1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-piperidinyl)-N-methyl-, hydrochloride"	"EPA_DSSTox"	"CN(C1CCN(CC1)C1N=C2C=C(OC)C(=CC2=C(N)N=1)OC)C(=O)C1C=CC=CC=1"	"Cl"	"InChI=1S/C23H27N5O3/c1-27(22(29)15-7-5-4-6-8-15)16-9-11-28(12-10-16)23-25-18-14-20(31-3)19(30-2)13-17(18)21(24)26-23/h4-8,13-14,16H,9-12H2,1-3H3,(H2,24,25,26)"	"JNBNRSRAQGDFHF-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"64951-26-4"	"DTXSID80215256"	"Carbamic acid, ((1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-piperidinyl)methyl)-, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)NCC1CCN(CC1)C1N=C2C=C(OC)C(=CC2=C(N)N=1)OC"	"?"	"InChI=1S/C19H27N5O4/c1-4-28-19(25)21-11-12-5-7-24(8-6-12)18-22-14-10-16(27-3)15(26-2)9-13(14)17(20)23-18/h9-10,12H,4-8,11H2,1-3H3,(H,21,25)(H2,20,22,23)"	"SLGOTOZEDCTYBV-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"64951-27-5"	"DTXSID40215257"	"1-Piperazinecarboxylic acid, 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-, cyclopropylmethyl ester, hydrochloride"	"EPA_DSSTox"	"COC1=CC2=C(N)N=C(N=C2C=C1OC)N1CCN(CC1)C(=O)OCC1CC1"	"Cl"	"InChI=1S/C19H25N5O4/c1-26-15-9-13-14(10-16(15)27-2)21-18(22-17(13)20)23-5-7-24(8-6-23)19(25)28-11-12-3-4-12/h9-10,12H,3-8,11H2,1-2H3,(H2,20,21,22)"	"VUTBQRPEJISURI-UHFFFAOYSA-N"	FALSE	FALSE	1150	3	4
"64951-31-1"	NA	NA	"Public_CrossChecked"	"CN(CC1=CC2OCOC=2C=C1)C1CN(CCC1)C1=NC2C=C(OC)C(=CC=2C(N)=N1)OC"	"Cl"	"InChI=1S/C24H29N5O4/c1-28(12-15-6-7-19-22(9-15)33-14-32-19)16-5-4-8-29(13-16)24-26-18-11-21(31-3)20(30-2)10-17(18)23(25)27-24/h6-7,9-11,16H,4-5,8,12-14H2,1-3H3,(H2,25,26,27)"	"DKWHBFARZCEOFL-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"64951-32-2"	"DTXSID60215259"	"Carbamic acid, ((1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-piperidinyl)methyl)methyl-, ethyl ester, hydrochloride"	"EPA_DSSTox"	"CN(CC1CCN(CC1)C1N=C2C=C(OC)C(=CC2=C(N)N=1)OC)C(=O)OCC"	"Cl"	"InChI=1S/C20H29N5O4/c1-5-29-20(26)24(2)12-13-6-8-25(9-7-13)19-22-15-11-17(28-4)16(27-3)10-14(15)18(21)23-19/h10-11,13H,5-9,12H2,1-4H3,(H2,21,22,23)"	"LGSZFBGFNADHLQ-UHFFFAOYSA-N"	FALSE	FALSE	660	3	4
"64951-33-3"	"DTXSID70215260"	"2-Furancarboxamide, N-(1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-piperidinyl)-N-methyl-"	"EPA_DSSTox"	"CN(C1CCN(CC1)C1N=C2C=C(OC)C(=CC2=C(N)N=1)OC)C(=O)C1=CC=CO1"	"?"	"InChI=1S/C21H25N5O4/c1-25(20(27)16-5-4-10-30-16)13-6-8-26(9-7-13)21-23-15-12-18(29-3)17(28-2)11-14(15)19(22)24-21/h4-5,10-13H,6-9H2,1-3H3,(H2,22,23,24)"	"MNJZCGJMBPRHBE-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"64951-34-4"	"DTXSID30215261"	"2-Furancarboxamide, N-((1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-piperidinyl)methyl)-N-methyl-, hydrochloride"	"EPA_DSSTox"	"CN(CC1CCN(CC1)C1N=C2C=C(OC)C(=CC2=C(N)N=1)OC)C(=O)C1=CC=CO1"	"Cl"	"InChI=1S/C22H27N5O4/c1-26(21(28)17-5-4-10-31-17)13-14-6-8-27(9-7-14)22-24-16-12-19(30-3)18(29-2)11-15(16)20(23)25-22/h4-5,10-12,14H,6-9,13H2,1-3H3,(H2,23,24,25)"	"XHDBHUJBOVIFBV-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"64973-73-5"	NA	NA	"Public_CrossChecked"	"CN(C1CN(CCC1)C1=NC2C=C(OC)C(=CC=2C(N)=N1)OC)C(=O)OCC"	"Cl"	"InChI=1S/C19H27N5O4/c1-5-28-19(25)23(2)12-7-6-8-24(11-12)18-21-14-10-16(27-4)15(26-3)9-13(14)17(20)22-18/h9-10,12H,5-8,11H2,1-4H3,(H2,20,21,22)"	"PICYFEMQYYHEOK-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"65-14-5"	NA	NA	"Public_CrossChecked"	"CCC(C(C#N)C1=CC=C(O)C=C1)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C17H17NO2/c1-2-16(12-3-7-14(19)8-4-12)17(11-18)13-5-9-15(20)10-6-13/h3-10,16-17,19-20H,2H2,1H3"	"MUSZSITXXJNLPD-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"65-29-2"	"DTXSID5023089"	"Gallamine triethiodide"	"EPA_DSSTox"	"CC[N+](CCOC1C(=CC=CC=1OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC)(CC)CC"	"[I-].[I-].[I-]"	"InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3"	"OZLPUNFFCJDMJD-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"65-45-2"	"DTXSID3021726"	"Salicylamide"	"EPA_DSSTox"	"NC(=O)C1=CC=CC=C1O"	"?"	"InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10)"	"SKZKKFZAGNVIMN-UHFFFAOYSA-N"	FALSE	FALSE	980	3	4
"65-85-0"	"DTXSID6020143"	"Benzoic acid"	"EPA_DSSTox"	"OC(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)"	"WPYMKLBDIGXBTP-UHFFFAOYSA-N"	FALSE	FALSE	1700	3	4
"650-51-1"	"DTXSID6034924"	"Sodium trichloroacetate"	"EPA_DSSTox"	"OC(=O)C(Cl)(Cl)Cl"	"[Na+]"	"InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)"	"YNJBWRMUSHSURL-UHFFFAOYSA-N"	FALSE	TRUE	3320	3	5
"65002-17-7"	"DTXSID2048587"	"Bucillamine"	"EPA_DSSTox"	"CC(C)(S)C(=O)NC(CS)C(O)=O"	"?"	"InChI=1S/C7H13NO3S2/c1-7(2,13)6(11)8-4(3-12)5(9)10/h4,12-13H,3H2,1-2H3,(H,8,11)(H,9,10)"	"VUAFHZCUKUDDBC-UHFFFAOYSA-N"	FALSE	TRUE	3900	3	5
"65008-94-8"	NA	NA	"Public_CrossChecked"	"CC(=O)COC1=CC=C(OCC(O)CNCCC2C=CC(OC)=C(C=2)OC)C2CCC(=O)NC=21"	"C(=O)(C(=O)O)O"	"InChI=1S/C25H32N2O7/c1-16(28)14-33-22-8-7-20(19-5-9-24(30)27-25(19)22)34-15-18(29)13-26-11-10-17-4-6-21(31-2)23(12-17)32-3/h4,6-8,12,18,26,29H,5,9-11,13-15H2,1-3H3,(H,27,30)"	"IXJJPGSXJXQFGI-UHFFFAOYSA-N"	FALSE	FALSE	1260	3	4
"6504-77-4"	"DTXSID30215362"	"6-Pteridinecarboxamide, 4-amino-N-(2-methoxyethyl)-7-((2-methoxyethyl)amino)-2-phenyl-"	"EPA_DSSTox"	"COCCNC1N=C2N=C(N=C(N)C2=NC=1C(=O)NCCOC)C1C=CC=CC=1"	"?"	"InChI=1S/C19H23N7O3/c1-28-10-8-21-17-14(19(27)22-9-11-29-2)23-13-15(20)24-16(25-18(13)26-17)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,22,27)(H3,20,21,24,25,26)"	"XJDALFQCSYEWSB-UHFFFAOYSA-N"	FALSE	TRUE	5010	4	5
"65043-22-3"	NA	NA	"Public_CrossChecked"	"C1C=CC2=CC=CC(OCC3CNCCO3)=C21"	"Cl"	"InChI=1S/C14H17NO2/c1-3-11-4-2-6-14(13(11)5-1)17-10-12-9-15-7-8-16-12/h1-4,6,12,15H,5,7-10H2"	"MADRVGBADLFHMO-UHFFFAOYSA-N"	FALSE	FALSE	502	3	4
"65089-17-0"	"DTXSID9020291"	"4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio(N-beta-hydroxyethyl)acetamide"	"EPA_DSSTox"	"CC1=C(C=CC=C1C)NC1C=C(Cl)N=C(N=1)SCC(=O)NCCO"	"?"	"InChI=1S/C16H19ClN4O2S/c1-10-4-3-5-12(11(10)2)19-14-8-13(17)20-16(21-14)24-9-15(23)18-6-7-22/h3-5,8,22H,6-7,9H2,1-2H3,(H,18,23)(H,19,20,21)"	"RZCKTPORLKUFGY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"65141-46-0"	"DTXSID8045692"	"Nicorandil"	"EPA_DSSTox"	"[O-][N+](=O)OCCNC(=O)C1=CN=CC=C1"	"?"	"InChI=1S/C8H9N3O4/c12-8(7-2-1-3-9-6-7)10-4-5-15-11(13)14/h1-3,6H,4-5H2,(H,10,12)"	"LBHIOVVIQHSOQN-UHFFFAOYSA-N"	FALSE	FALSE	1220	3	4
"6515-38-4"	"DTXSID7038317"	"3,5,6-Trichloro-2-pyridinol"	"EPA_DSSTox"	"OC1N=C(Cl)C(Cl)=CC=1Cl"	"?"	"InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)"	"WCYYAQFQZQEUEN-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"65183-11-1"	"DTXSID10215486"	"4(3H)-Quinazolinone, 2-methyl-3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-"	"EPA_DSSTox"	"CC1C=C(N2C(=O)C3=CC=CC=C3N=C2C)N(N=1)C1C=CC=CC=1"	"?"	"InChI=1S/C19H16N4O/c1-13-12-18(23(21-13)15-8-4-3-5-9-15)22-14(2)20-17-11-7-6-10-16(17)19(22)24/h3-12H,1-2H3"	"JVDKUKAUYKLJOS-UHFFFAOYSA-N"	FALSE	FALSE	1800	3	4
"65189-78-8"	NA	NA	"Public_CrossChecked"	"CC1=C(CC(=O)OCC(C(O)=O)C2C=CC=CC=2)C2C=C(C=CC=2N1C(=O)C1C=CC(Cl)=CC=1)OC"	"?"	"InChI=1S/C28H24ClNO6/c1-17-22(15-26(31)36-16-24(28(33)34)18-6-4-3-5-7-18)23-14-21(35-2)12-13-25(23)30(17)27(32)19-8-10-20(29)11-9-19/h3-14,24H,15-16H2,1-2H3,(H,33,34)"	"UCCJWNPWWPJKGL-UHFFFAOYSA-N"	FALSE	FALSE	140	2	3
"652-37-9"	"DTXSID6057796"	"Acephylline"	"EPA_DSSTox"	"CN1C(=O)C2=C(N=CN2CC(O)=O)N(C)C1=O"	"?"	"InChI=1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15)"	"HCYFGRCYSCXKNQ-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"652-67-5"	"DTXSID5046196"	"Isosorbide"	"EPA_DSSTox"	"OC1COC2C1OCC2O"	"?"	"InChI=1S/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2"	"KLDXJTOLSGUMSJ-UHFFFAOYSA-N"	FALSE	TRUE	24150	4	5
"65216-94-6"	NA	NA	"Public_CrossChecked"	"NCCN(CCN)CCC#N"	"?"	"InChI=1S/C7H16N4/c8-2-1-5-11(6-3-9)7-4-10/h1,3-7,9-10H2"	"YLFIKUFWZJZACZ-UHFFFAOYSA-N"	FALSE	TRUE	4550	3	5
"6522-21-0"	NA	NA	"Public_CrossChecked"	"ClC1CCC2SC1CCC2Cl"	"?"	"InChI=1S/C8H12Cl2S/c9-5-1-3-7-6(10)2-4-8(5)11-7/h5-8H,1-4H2"	"QUZIEYDEASXPSN-UHFFFAOYSA-N"	FALSE	FALSE	1410	3	4
"6522-86-7"	NA	NA	"Public_CrossChecked"	"OC1C2=C(C=C(C=1N=NC1C=CC=CC=1)S(O)(=O)=O)C=C(C=C2NC1N=C(Cl)N=C(Cl)N=1)S(O)(=O)=O"	"?"	"InChI=1S/C19H12Cl2N6O7S2/c20-17-23-18(21)25-19(24-17)22-12-8-11(35(29,30)31)6-9-7-13(36(32,33)34)15(16(28)14(9)12)27-26-10-4-2-1-3-5-10/h1-8,28H,(H,29,30,31)(H,32,33,34)(H,22,23,24,25)"	"ZJUUTHDAOGJGDU-UHFFFAOYSA-N"	FALSE	TRUE	7460	4	5
"65235-63-4"	"DTXSID0070285"	"9,10-Anthracenedione, 1,8-diamino-2-bromo-4,5-dihydroxy-"	"EPA_DSSTox"	"NC1=C(Br)C=C(O)C2=C1C(=O)C1C(C2=O)=C(O)C=CC=1N"	"?"	"InChI=1S/C14H9BrN2O4/c15-4-3-7(19)10-11(12(4)17)13(20)8-5(16)1-2-6(18)9(8)14(10)21/h1-3,18-19H,16-17H2"	"SBSBBPZTTALABX-UHFFFAOYSA-N"	FALSE	TRUE	12500	4	5
"65242-49-1"	NA	NA	"Public_CrossChecked"	"CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OP(O)(O)=O"	"[Na+]"	"InChI=1S/C27H49O4P/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25H,6-17H2,1-5H3,(H2,28,29,30)"	"NAQXZSNPIRYIMN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"65277-42-1"	"DTXSID7029879"	"Ketoconazole"	"EPA_DSSTox"	"CC(=O)N1CCN(CC1)C1C=CC(=CC=1)OCC1COC(CN2C=NC=C2)(O1)C1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3"	"XMAYWYJOQHXEEK-UHFFFAOYSA-N"	FALSE	FALSE	166	2	3
"653-03-2"	"DTXSID1022712"	"Butaperazine"	"EPA_DSSTox"	"CN1CCN(CCCN2C3=CC=CC=C3SC3C=CC(=CC2=3)C(=O)CCC)CC1"	"?"	"InChI=1S/C24H31N3OS/c1-3-7-22(28)19-10-11-24-21(18-19)27(20-8-4-5-9-23(20)29-24)13-6-12-26-16-14-25(2)15-17-26/h4-5,8-11,18H,3,6-7,12-17H2,1-2H3"	"DVLBYTMYSMAKHP-UHFFFAOYSA-N"	FALSE	FALSE	413	2	4
"65323-13-9"	"DTXSID90215666"	"Camphoric acid 3-methyl ester"	"EPA_DSSTox"	"CC1(C)C(C)(CCC1(C)C(O)=O)C(O)=O"	"[Na+].[Na+]"	"InChI=1S/C11H18O4/c1-9(2)10(3,7(12)13)5-6-11(9,4)8(14)15/h5-6H2,1-4H3,(H,12,13)(H,14,15)"	"WYYSEKAAKFGNSL-UHFFFAOYSA-N"	FALSE	TRUE	3430	3	5
"6533-00-2"	"DTXSID3047477"	"dl-Norgestrel"	"EPA_DSSTox"	"CCC12CCC3C4CCC(=O)C=C4CCC3C1CCC2(O)C#C"	"?"	"InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3"	"WWYNJERNGUHSAO-UHFFFAOYSA-N"	FALSE	TRUE	5010	4	5
"65405-73-4"	"DTXSID90886330"	"Acetaldehyde, 2-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-"	"EPA_DSSTox"	"CC(C)=CCCC(C)=CCOCC=O"	"?"	"InChI=1S/C12H20O2/c1-11(2)5-4-6-12(3)7-9-14-10-8-13/h5,7-8H,4,6,9-10H2,1-3H3"	"LAUVMIDRJMQUQL-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"65405-77-8"	"DTXSID8037750"	"(3Z)-Hex-3-en-1-yl salicylate"	"EPA_DSSTox"	"CCC=CCCOC(=O)C1=CC=CC=C1O"	"?"	"InChI=1S/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9,14H,2,7,10H2,1H3"	"IEPWIPZLLIOZLU-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"65463-19-6"	"DTXSID4073598"	"Glycine, N-[(hydroxyphenoxyphosphinyl)methyl]-, methyl ester"	"EPA_DSSTox"	"COC(=O)CNCP(O)(=O)OC1C=CC=CC=1"	"?"	"InChI=1S/C10H14NO5P/c1-15-10(12)7-11-8-17(13,14)16-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3,(H,13,14)"	"LFKRSEWYGNQQNF-UHFFFAOYSA-N"	FALSE	TRUE	4100	3	5
"65489-04-5"	NA	NA	"Public_CrossChecked"	"CC(=O)C(C1C=CC=CC=1)N1CCN(CCOC2C=CC=CC=2)CC1"	"Cl.Cl"	"InChI=1S/C21H26N2O2/c1-18(24)21(19-8-4-2-5-9-19)23-14-12-22(13-15-23)16-17-25-20-10-6-3-7-11-20/h2-11,21H,12-17H2,1H3"	"MJDBLKBXDHXADL-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"65489-05-6"	NA	NA	"Public_CrossChecked"	"CC(O)C(C1C=CC=CC=1)N1CCN(CCOC2C=CC=CC=2)CC1"	"Cl.Cl"	"InChI=1S/C21H28N2O2/c1-18(24)21(19-8-4-2-5-9-19)23-14-12-22(13-15-23)16-17-25-20-10-6-3-7-11-20/h2-11,18,21,24H,12-17H2,1H3"	"KCZDULBSPFUKFC-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"655-05-0"	NA	NA	"Public_CrossChecked"	"CN(C)C1=NC(O)=C(O1)C1C=CC=CC=1"	"?"	"InChI=1S/C11H12N2O2/c1-13(2)11-12-10(14)9(15-11)8-6-4-3-5-7-8/h3-7,14H,1-2H3"	"VULWOVZBUSNYEF-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"655-35-6"	"DTXSID2048749"	"Chromonar hydrochloride"	"EPA_DSSTox"	"CC1C2C=CC(=CC=2OC(=O)C=1CCN(CC)CC)OCC(=O)OCC"	"Cl"	"InChI=1S/C20H27NO5/c1-5-21(6-2)11-10-17-14(4)16-9-8-15(12-18(16)26-20(17)23)25-13-19(22)24-7-3/h8-9,12H,5-7,10-11,13H2,1-4H3"	"KLOIYEQEVSIOOO-UHFFFAOYSA-N"	FALSE	TRUE	8000	4	5
"65516-17-8"	NA	NA	"Public_CrossChecked"	"CC1C=CC=CC=1OCCN1CCN(CC1)C(C(O)CC)C1C=CC=CC=1"	"Cl.Cl"	"InChI=1S/C23H32N2O2/c1-3-21(26)23(20-10-5-4-6-11-20)25-15-13-24(14-16-25)17-18-27-22-12-8-7-9-19(22)2/h4-12,21,23,26H,3,13-18H2,1-2H3"	"ZPHZHAFVSJGNQD-UHFFFAOYSA-N"	FALSE	FALSE	700	3	4
"656-49-5"	"DTXSID80215857"	"Benzimidazole, 5-chloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1NC2=CC(Cl)=CC=C2N=1"	"?"	"InChI=1S/C8H4ClF3N2/c9-4-1-2-5-6(3-4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14)"	"OQKQEDXERMELRT-UHFFFAOYSA-N"	TRUE	FALSE	6.817	1	2
"657-27-2"	"DTXSID9029198"	"L-Lysine, monohydrochloride"	"EPA_DSSTox"	"NCCCCC(N)C(O)=O"	"Cl"	"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)"	"KDXKERNSBIXSRK-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"657-84-1"	"DTXSID9042415"	"Sodium 4-methylbenzenesulfonate"	"EPA_DSSTox"	"CC1=CC=C(C=C1)S(O)(=O)=O"	"[Na+]"	"InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)"	"JOXIMZWYDAKGHI-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"6574-99-8"	"DTXSID90215944"	"3,4-Dichlorobenzonitrile"	"EPA_DSSTox"	"N#CC1=CC(Cl)=C(Cl)C=C1"	"?"	"InChI=1S/C7H3Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H"	"KUWBYWUSERRVQP-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"65765-07-3"	"DTXSID2020343"	"Compound 50-892"	"EPA_DSSTox"	"CC1C=CC2=C(C=1)N(C(C)C)C(=O)N=C2C1=CC(O)=CC=C1"	"?"	"InChI=1S/C18H18N2O2/c1-11(2)20-16-9-12(3)7-8-15(16)17(19-18(20)22)13-5-4-6-14(21)10-13/h4-11,21H,1-3H3"	"HGZHAINHFBFXIU-UHFFFAOYSA-N"	FALSE	FALSE	1595	3	4
"65793-50-2"	"DTXSID10215981"	"Centazolone"	"EPA_DSSTox"	"NN1C=NC2=CC3=CC=CC=C3C=C2C1=O"	"?"	"InChI=1S/C12H9N3O/c13-15-7-14-11-6-9-4-2-1-3-8(9)5-10(11)12(15)16/h1-7H,13H2"	"CZXUQBVMAUWSBX-UHFFFAOYSA-N"	FALSE	FALSE	540	3	4
"6586-89-6"	"DTXSID20216045"	"Naphthalene, 1,4-bis(chloromethyl)-"	"EPA_DSSTox"	"ClCC1=CC=C(CCl)C2=CC=CC=C12"	"?"	"InChI=1S/C12H10Cl2/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12/h1-6H,7-8H2"	"PMIHHEJEQAQZET-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"6587-23-1"	"DTXSID00216048"	"Benzimidazole, 4-bromo-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1NC2C=CC=C(Br)C=2N=1"	"?"	"InChI=1S/C8H4BrF3N2/c9-4-2-1-3-5-6(4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14)"	"MWSWJWXZVTVPEQ-UHFFFAOYSA-N"	TRUE	FALSE	28	1	2
"6587-45-7"	NA	NA	"Public_CrossChecked"	"CS(=O)C1C=CC(=CC=1)OP(=S)(CC)OCC"	"?"	"InChI=1S/C11H17O3PS2/c1-4-13-15(16,5-2)14-10-6-8-11(9-7-10)17(3)12/h6-9H,4-5H2,1-3H3"	"YNWMEIIUHWBTKK-UHFFFAOYSA-N"	TRUE	FALSE	2.5	1	1
"65871-41-2"	"DTXSID70216050"	"1,3,4-Thiadiazol-2(3H)-one, 5-(2-methylphenyl)-, hydrazone, monohydrochloride"	"EPA_DSSTox"	"CC1=CC=CC=C1C1=NN=C(NN)S1"	"Cl"	"InChI=1S/C9H10N4S/c1-6-4-2-3-5-7(6)8-12-13-9(11-10)14-8/h2-5H,10H2,1H3,(H,11,13)"	"PFDMGSHHQHDZBH-UHFFFAOYSA-N"	FALSE	FALSE	120	2	3
"65899-73-2"	"DTXSID3046619"	"Tioconazole"	"EPA_DSSTox"	"ClC1=CC(Cl)=C(C=C1)C(CN1C=NC=C1)OCC1C=CSC=1Cl"	"?"	"InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2"	"QXHHHPZILQDDPS-UHFFFAOYSA-N"	FALSE	FALSE	770	3	4
"65907-30-4"	"DTXSID3052725"	"Furathiocarb"	"EPA_DSSTox"	"CCCCOC(=O)N(C)SN(C)C(=O)OC1=CC=CC2CC(C)(C)OC1=2"	"?"	"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"	FALSE	FALSE	53	2	3
"65986-80-3"	"DTXSID50216199"	"Acetic acid, ethylnitrosaminomethyl ester"	"EPA_DSSTox"	"CCN(COC(C)=O)N=O"	"?"	"InChI=1S/C5H10N2O3/c1-3-7(6-9)4-10-5(2)8/h3-4H2,1-2H3"	"MMAVGZKLTAOVSO-UHFFFAOYSA-N"	FALSE	FALSE	810	3	4
"66-22-8"	"DTXSID4021424"	"Uracil"	"EPA_DSSTox"	"O=C1C=CNC(=O)N1"	"?"	"InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)"	"ISAKRJDGNUQOIC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"66-25-1"	"DTXSID2021604"	"Hexanal"	"EPA_DSSTox"	"CCCCCC=O"	"?"	"InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3"	"JARKCYVAAOWBJS-UHFFFAOYSA-N"	FALSE	TRUE	4890	3	5
"66-27-3"	"DTXSID7020845"	"Methyl methanesulfonate"	"EPA_DSSTox"	"COS(C)(=O)=O"	"?"	"InChI=1S/C2H6O3S/c1-5-6(2,3)4/h1-2H3"	"MBABOKRGFJTBAE-UHFFFAOYSA-N"	FALSE	FALSE	225	2	3
"66-76-2"	"DTXSID8021729"	"Dicumarol"	"EPA_DSSTox"	"OC1=C(CC2C(=O)OC3C=CC=CC=3C=2O)C(=O)OC2C=CC=CC1=2"	"?"	"InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2"	"DOBMPNYZJYQDGZ-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"66-77-3"	"DTXSID5058775"	"1-Naphthaldehyde"	"EPA_DSSTox"	"O=CC1C=CC=C2C=CC=CC2=1"	"?"	"InChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H"	"SQAINHDHICKHLX-UHFFFAOYSA-N"	FALSE	FALSE	667	3	4
"66017-91-2"	"DTXSID50216235"	"Acetic acid, propylnitrosaminomethyl ester"	"EPA_DSSTox"	"CCCN(COC(C)=O)N=O"	"?"	"InChI=1S/C6H12N2O3/c1-3-4-8(7-10)5-11-6(2)9/h3-5H2,1-2H3"	"UNJDFDOOIZHAPH-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"66063-05-6"	"DTXSID3042261"	"Pencycuron"	"EPA_DSSTox"	"O=C(NC1C=CC=CC=1)N(CC1C=CC(Cl)=CC=1)C1CCCC1"	"?"	"InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)"	"OGYFATSSENRIKG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"66064-11-7"	NA	NA	"Public_CrossChecked"	"NN1C(=O)C(CC1=O)C1C=CC=C(Br)C=1"	"?"	"InChI=1S/C10H9BrN2O2/c11-7-3-1-2-6(4-7)8-5-9(14)13(12)10(8)15/h1-4,8H,5,12H2"	"QWNKHWJMJANJRD-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"6607-41-6"	NA	NA	"Public_CrossChecked"	"OC1C=CC(=CC=1)C1(C2C=CC=CC=2C(=O)N1C1C=CC=CC=1)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C26H19NO3/c28-21-14-10-18(11-15-21)26(19-12-16-22(29)17-13-19)24-9-5-4-8-23(24)25(30)27(26)20-6-2-1-3-7-20/h1-17,28-29H"	"YBLBHSSRHHJKEK-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"6607-45-0"	"DTXSID8073132"	".alpha.,.beta.-Dichlorostyrene"	"EPA_DSSTox"	"ClC(=CCl)C1C=CC=CC=1"	"?"	"InChI=1S/C8H6Cl2/c9-6-8(10)7-4-2-1-3-5-7/h1-6H"	"OQGSCHGFHOSXFY-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"6607-49-4"	"DTXSID70216272"	"2-(Butylthio)ethyl vinyl ether"	"EPA_DSSTox"	"CCCCSCCOC=C"	"?"	"InChI=1S/C8H16OS/c1-3-5-7-10-8-6-9-4-2/h4H,2-3,5-8H2,1H3"	"GZHKEFMXFNGIDG-UHFFFAOYSA-N"	FALSE	TRUE	2830	3	5
"66085-59-4"	"DTXSID5023370"	"Nimodipine"	"EPA_DSSTox"	"CC(C)OC(=O)C1C(C(C(=O)OCCOC)=C(C)NC=1C)C1=CC(=CC=C1)[N+]([O-])=O"	"?"	"InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3"	"UIAGMCDKSXEBJQ-UHFFFAOYSA-N"	FALSE	TRUE	2738	3	5
"6609-37-6"	"DTXSID60216281"	"Benzimidazole, 4-bromo-6-nitro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"[O-][N+](=O)C1C=C(Br)C2N=C(NC=2C=1)C(F)(F)F"	"?"	"InChI=1S/C8H3BrF3N3O2/c9-4-1-3(15(16)17)2-5-6(4)14-7(13-5)8(10,11)12/h1-2H,(H,13,14)"	"RJHWHAVCPNBCTM-UHFFFAOYSA-N"	TRUE	FALSE	14.5	1	2
"6609-38-7"	"DTXSID20216282"	"Benzimidazole, 4,6-dinitro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC(=C2N=C(NC2=C1)C(F)(F)F)[N+]([O-])=O"	"?"	"InChI=1S/C8H3F3N4O4/c9-8(10,11)7-12-4-1-3(14(16)17)2-5(15(18)19)6(4)13-7/h1-2H,(H,12,13)"	"ABJSFSLMGRVNBG-UHFFFAOYSA-N"	TRUE	FALSE	11.51	1	2
"6609-39-8"	"DTXSID80216283"	"Benzimidazole, 5-chloro-4-nitro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"[O-][N+](=O)C1=C(Cl)C=CC2NC(=NC=21)C(F)(F)F"	"?"	"InChI=1S/C8H3ClF3N3O2/c9-3-1-2-4-5(6(3)15(16)17)14-7(13-4)8(10,11)12/h1-2H,(H,13,14)"	"RGHCRDDIYJEAFI-UHFFFAOYSA-N"	TRUE	FALSE	9.865	1	2
"6609-40-1"	"DTXSID40216284"	"Benzimidazole, 5-chloro-6-nitro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"[O-][N+](=O)C1C=C2N=C(NC2=CC=1Cl)C(F)(F)F"	"?"	"InChI=1S/C8H3ClF3N3O2/c9-3-1-4-5(2-6(3)15(16)17)14-7(13-4)8(10,11)12/h1-2H,(H,13,14)"	"KNWBYYSQLWZITM-UHFFFAOYSA-N"	TRUE	FALSE	5.547	1	2
"6609-42-3"	"DTXSID60216286"	"Benzimidazole, 4,5-dichloro-6-nitro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC2NC(=NC=2C(Cl)=C1Cl)C(F)(F)F"	"?"	"InChI=1S/C8H2Cl2F3N3O2/c9-4-3(16(17)18)1-2-6(5(4)10)15-7(14-2)8(11,12)13/h1H,(H,14,15)"	"TZMZZAAWGRCWAY-UHFFFAOYSA-N"	FALSE	FALSE	55	2	3
"6609-43-4"	"DTXSID20216287"	"Benzimidazole, 4,6-dichloro-5-nitro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"[O-][N+](=O)C1C(Cl)=CC2NC(=NC=2C=1Cl)C(F)(F)F"	"?"	"InChI=1S/C8H2Cl2F3N3O2/c9-2-1-3-5(4(10)6(2)16(17)18)15-7(14-3)8(11,12)13/h1H,(H,14,15)"	"ABRYUUSJZZOGOI-UHFFFAOYSA-N"	TRUE	FALSE	36	1	2
"6609-53-6"	"DTXSID40216289"	"Benzimidazole, 4,6-dibromo-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1NC2C=C(Br)C=C(Br)C=2N=1"	"?"	"InChI=1S/C8H3Br2F3N2/c9-3-1-4(10)6-5(2-3)14-7(15-6)8(11,12)13/h1-2H,(H,14,15)"	"IPVBKOUKUCKNIK-UHFFFAOYSA-N"	TRUE	FALSE	5.977	1	2
"661-19-8"	"DTXSID4027286"	"1-Docosanol"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCCCCCCO"	"?"	"InChI=1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3"	"NOPFSRXAKWQILS-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"6610-29-3"	"DTXSID7044390"	"N-Methylhydrazinecarbothioamide"	"EPA_DSSTox"	"CNC(=S)NN"	"?"	"InChI=1S/C2H7N3S/c1-4-2(6)5-3/h3H2,1H3,(H2,4,5,6)"	"PTVZQOAHCSKAAS-UHFFFAOYSA-N"	TRUE	FALSE	14	1	2
"66104-23-2"	"DTXSID6040583"	"Pergolide methanesulfonate"	"EPA_DSSTox"	"CCCN1CC(CC2C1CC1=CNC3C=CC=C2C1=3)CSC"	"CS(=O)(=O)O"	"InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3"	"YEHCICAEULNIGD-UHFFFAOYSA-N"	TRUE	FALSE	8.4	1	2
"66108-95-0"	"DTXSID6023157"	"Iohexol"	"EPA_DSSTox"	"CC(=O)N(CC(O)CO)C1C(I)=C(C(I)=C(C=1I)C(=O)NCC(O)CO)C(=O)NCC(O)CO"	"?"	"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"	FALSE	TRUE	NA	4	5
"6613-44-1"	"DTXSID4064420"	"Benzoyl chloride, 3,5-dimethyl-"	"EPA_DSSTox"	"CC1=CC(=CC(C)=C1)C(=O)Cl"	"?"	"InChI=1S/C9H9ClO/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3"	"ZJIOBDJEKDUUCI-UHFFFAOYSA-N"	FALSE	TRUE	3162	3	5
"6615-00-5"	"DTXSID70447807"	"11alpha-Hydroxy-estr-4-ene-3,17-dione"	"EPA_DSSTox"	"CC12CC(O)C3C(CCC4=CC(=O)CCC43)C1CCC2=O"	"?"	"InChI=1S/C18H24O3/c1-18-9-15(20)17-12-5-3-11(19)8-10(12)2-4-13(17)14(18)6-7-16(18)21/h8,12-15,17,20H,2-7,9H2,1H3"	"VDCOSJPGDDQNJH-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"66227-09-6"	"DTXSID80216420"	"Propyl-3-tert-butylphenoxyacetate"	"EPA_DSSTox"	"CCCOC(=O)COC1=CC=CC(=C1)C(C)(C)C"	"?"	"InChI=1S/C15H22O3/c1-5-9-17-14(16)11-18-13-8-6-7-12(10-13)15(2,3)4/h6-8,10H,5,9,11H2,1-4H3"	"PFIYGPDMTJWGJV-UHFFFAOYSA-N"	FALSE	FALSE	1800	3	4
"66230-04-4"	"DTXSID4032667"	"Esfenvalerate"	"EPA_DSSTox"	"CC(C)C(C1=CC=C(Cl)C=C1)C(=O)OC(C#N)C1=CC(=CC=C1)OC1C=CC=CC=1"	"?"	"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"	FALSE	FALSE	88	2	3
"66232-25-5"	"DTXSID60216428"	"Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, butyl ester"	"EPA_DSSTox"	"CCCCOC(=O)CC1C=CC(=CC=1)N(CCCl)CCCl"	"?"	"InChI=1S/C16H23Cl2NO2/c1-2-3-12-21-16(20)13-14-4-6-15(7-5-14)19(10-8-17)11-9-18/h4-7H,2-3,8-13H2,1H3"	"BAKGUOSIFRQDLJ-UHFFFAOYSA-N"	TRUE	FALSE	20	1	2
"66232-28-8"	"DTXSID90216431"	"Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, tetradecyl ester"	"EPA_DSSTox"	"CCCCCCCCCCCCCCOC(=O)CC1C=CC(=CC=1)N(CCCl)CCCl"	"?"	"InChI=1S/C26H43Cl2NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-22-31-26(30)23-24-14-16-25(17-15-24)29(20-18-27)21-19-28/h14-17H,2-13,18-23H2,1H3"	"GYOHPKQEXPJQSW-UHFFFAOYSA-N"	TRUE	FALSE	46	1	2
"66246-88-6"	"DTXSID8042260"	"Penconazole"	"EPA_DSSTox"	"CCCC(CN1C=NC=N1)C1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3"	"WKBPZYKAUNRMKP-UHFFFAOYSA-N"	FALSE	TRUE	2125	3	5
"66257-53-2"	NA	NA	"Public_CrossChecked"	"NC(=O)C(O)=O"	"?"	"InChI=1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6)"	"SOWBFZRMHSNYGE-UHFFFAOYSA-N"	FALSE	TRUE	21142	4	5
"6627-34-5"	"DTXSID9064425"	"2,5-Dichloro-4-nitroaniline"	"EPA_DSSTox"	"NC1=CC(Cl)=C(C=C1Cl)[N+]([O-])=O"	"?"	"InChI=1S/C6H4Cl2N2O2/c7-3-2-6(10(11)12)4(8)1-5(3)9/h1-2H,9H2"	"JBXZCPXEYAEMJS-UHFFFAOYSA-N"	FALSE	TRUE	2820	3	5
"66309-83-9"	"DTXSID40469096"	"CHEMBL157327"	"EPA_DSSTox"	"CC1C=C2C(CC(C)C2=O)=CC=1"	"?"	"InChI=1S/C11H12O/c1-7-3-4-9-6-8(2)11(12)10(9)5-7/h3-5,8H,6H2,1-2H3"	"MFCLOAFNUWAGGB-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"66332-96-5"	"DTXSID8024109"	"Flutolanil"	"EPA_DSSTox"	"CC(C)OC1C=C(C=CC=1)NC(=O)C1C=CC=CC=1C(F)(F)F"	"?"	"InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)"	"PTCGDEVVHUXTMP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"66346-01-8"	"DTXSID7028300"	"1-(4-Chlorophenyl)-4,4-dimethyl-pentan-3-one"	"EPA_DSSTox"	"CC(C)(C)C(=O)CCC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C13H17ClO/c1-13(2,3)12(15)9-6-10-4-7-11(14)8-5-10/h4-5,7-8H,6,9H2,1-3H3"	"ILQGIJDYSLHIOX-UHFFFAOYSA-N"	FALSE	TRUE	3145	3	5
"6635-73-0"	"DTXSID00216563"	"Biuret, 1-phenyl-2,4-dithio-"	"EPA_DSSTox"	"NC(=S)NC(=S)NC1C=CC=CC=1"	"?"	"InChI=1S/C8H9N3S2/c9-7(12)11-8(13)10-6-4-2-1-3-5-6/h1-5H,(H4,9,10,11,12,13)"	"GMUKQAHDARHRTC-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"66357-35-5"	"DTXSID8045191"	"Ranitidine"	"EPA_DSSTox"	"CNC(=C[N+]([O-])=O)NCCSCC1=CC=C(CN(C)C)O1"	"?"	"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"	"VMXUWOKSQNHOCA-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"66364-74-7"	"DTXSID60216589"	"Enpiroline phosphate"	"EPA_DSSTox"	"OC(C1CCCCN1)C1C=C(N=C(C=1)C1=CC=C(C=C1)C(F)(F)F)C(F)(F)F"	"P(O)(O)(O)=O"	"InChI=1S/C19H18F6N2O/c20-18(21,22)13-6-4-11(5-7-13)15-9-12(10-16(27-15)19(23,24)25)17(28)14-3-1-2-8-26-14/h4-7,9-10,14,17,26,28H,1-3,8H2"	"OCVRKDMRZFCUEE-UHFFFAOYSA-N"	FALSE	FALSE	518	3	4
"66415-55-2"	"DTXSID80402720"	"Aminopropylvinylether"	"EPA_DSSTox"	"C=COCCCN"	"?"	"InChI=1S/C5H11NO/c1-2-7-5-3-4-6/h2H,1,3-6H2"	"JPVNTYZOJCDQBK-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"6642-31-5"	"DTXSID4074350"	"2,4(1H,3H)-Pyrimidinedione, 6-amino-1,3-dimethyl-"	"EPA_DSSTox"	"CN1C(=O)C=C(N)N(C)C1=O"	"?"	"InChI=1S/C6H9N3O2/c1-8-4(7)3-5(10)9(2)6(8)11/h3H,7H2,1-2H3"	"VFGRNTYELNYSKJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"66441-11-0"	NA	NA	"Public_CrossChecked"	"CCOC(=O)C(C)OC1C=CC(=CC=1)OC1=NC2C=CC(Cl)=CC=2S1"	"?"	"InChI=1S/C18H16ClNO4S/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3"	"HVCNNTAUBZIYCG-UHFFFAOYSA-N"	FALSE	FALSE	907	3	4
"66441-23-4"	"DTXSID2032392"	"Fenoxaprop-ethyl"	"EPA_DSSTox"	"CCOC(=O)C(C)OC1C=CC(=CC=1)OC1=NC2C=CC(Cl)=CC=2O1"	"?"	"InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3"	"PQKBPHSEKWERTG-UHFFFAOYSA-N"	FALSE	TRUE	2357	3	5
"6645-46-1"	NA	NA	"Public_CrossChecked"	"C[N+](C)(C)CC(O)CC(O)=O"	"[Cl-]"	"InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1"	"PHIQHXFUZVPYII-UHFFFAOYSA-O"	FALSE	TRUE	6890	4	5
"66492-51-1"	"DTXSID5074923"	"2-Propenoic acid, (5-ethyl-1,3-dioxan-5-yl)methyl ester"	"EPA_DSSTox"	"CCC1(COC(=O)C=C)COCOC1"	"?"	"InChI=1S/C10H16O4/c1-3-9(11)14-7-10(4-2)5-12-8-13-6-10/h3H,1,4-8H2,2H3"	"STGXUBIZGYMIRM-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"66501-16-4"	"DTXSID60216706"	"2-Pyrimidinamine, N-(2,6-dichlorophenyl)-"	"EPA_DSSTox"	"ClC1C=CC=C(Cl)C=1NC1N=CC=CN=1"	"?"	"InChI=1S/C10H7Cl2N3/c11-7-3-1-4-8(12)9(7)15-10-13-5-2-6-14-10/h1-6H,(H,13,14,15)"	"RQHCTLPUMQYABP-UHFFFAOYSA-N"	FALSE	TRUE	4720	3	5
"66505-62-2"	"DTXSID20216707"	"Furo(2,3-d)pyrimidin-4-amine, 2-(ethylthio)-5-methyl-, monohydrobromide"	"EPA_DSSTox"	"CC1=COC2=NC(=NC(N)=C12)SCC"	"Br"	"InChI=1S/C9H11N3OS/c1-3-14-9-11-7(10)6-5(2)4-13-8(6)12-9/h4H,3H2,1-2H3,(H2,10,11,12)"	"KZDDDJLPNFCBOY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"66505-63-3"	"DTXSID80216708"	"Furo(2,3-d)pyrimidin-4-amine, 5-methyl-2-(methylthio)-, monohydrobromide"	"EPA_DSSTox"	"CC1=COC2=NC(=NC(N)=C12)SC"	"Br"	"InChI=1S/C8H9N3OS/c1-4-3-12-7-5(4)6(9)10-8(11-7)13-2/h3H,1-2H3,(H2,9,10,11)"	"HOFQRXHCSWROBG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"66508-37-0"	"DTXSID10216711"	"Fosmidomycin sodium"	"EPA_DSSTox"	"ON(CCCP(O)(O)=O)C=O"	"[Na+]"	"InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)"	"GJXWDTUCERCKIX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"66525-27-7"	"DTXSID6032649"	"Tetramethrin"	"EPA_DSSTox"	"CC(C)=CC1C(C(=O)OCN2C(=O)C3CCCCC=3C2=O)C1(C)C"	"?"	"InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3"	"CXBMCYHAMVGWJQ-UHFFFAOYSA-N"	FALSE	TRUE	4900	3	5
"66571-24-2"	NA	NA	"Public_CrossChecked"	"CCC1NC(=O)C2C=CC=CC=2O1"	"?"	"InChI=1S/C10H11NO2/c1-2-9-11-10(12)7-5-3-4-6-8(7)13-9/h3-6,9H,2H2,1H3,(H,11,12)"	"JJEGECBOROEHLV-UHFFFAOYSA-N"	FALSE	FALSE	1310	3	4
"66575-29-9"	"DTXSID8040484"	"Forskolin"	"EPA_DSSTox"	"CC1(C)CCC(O)C2(C)C1C(O)C(OC(C)=O)C1(C)OC(C)(CC(=O)C12O)C=C"	"?"	"InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3"	"OHCQJHSOBUTRHG-UHFFFAOYSA-N"	FALSE	TRUE	2550	3	5
"6659-45-6"	"DTXSID5041227"	"1',2'-Dihydrorotenone"	"EPA_DSSTox"	"CC(C)C1CC2C(=CC=C3C(=O)C4C(COC5C=C(OC)C(=CC=54)OC)OC3=2)O1"	"?"	"InChI=1S/C23H24O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,11,16,20-21H,8,10H2,1-4H3"	"DTFARBHXORYQBF-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"6659-62-7"	NA	NA	"Public_CrossChecked"	"[O-][N+](=O)OCC1CO1"	"?"	"InChI=1S/C3H5NO4/c5-4(6)8-2-3-1-7-3/h3H,1-2H2"	"ADZAAKGRMMGJKM-UHFFFAOYSA-N"	FALSE	FALSE	460	2	4
"666-84-2"	"DTXSID40216769"	"Abietyl alcohol"	"EPA_DSSTox"	"CC(C)C1CCC2C(C=1)=CCC1C2(C)CCCC1(C)CO"	"?"	"InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12,14,17-18,21H,5-6,8-11,13H2,1-4H3"	"GQRUHVMVWNKUFW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"66637-25-0"	NA	NA	"Public_CrossChecked"	"CNC(=O)ON=C1SCC(=O)NC1(C)C"	"?"	"InChI=1S/C8H13N3O3S/c1-8(2)6(11-14-7(13)9-3)15-4-5(12)10-8/h4H2,1-3H3,(H,9,13)(H,10,12)"	"MQCZUXQFNWKKAU-UHFFFAOYSA-N"	TRUE	FALSE	1.11	1	1
"66637-32-9"	NA	NA	"Public_CrossChecked"	"CNC(=O)ON=C1SCC(=O)NC1C"	"?"	"InChI=1S/C7H11N3O3S/c1-4-6(10-13-7(12)8-2)14-3-5(11)9-4/h4H,3H2,1-2H3,(H,8,12)(H,9,11)"	"NCLOUZMSCWUMGM-UHFFFAOYSA-N"	TRUE	FALSE	5.66	1	2
"66637-35-2"	NA	NA	"Public_CrossChecked"	"CN1C(C)C(=NOC(=O)N(C)SC(Cl)(Cl)Cl)SCC1=O"	"?"	"InChI=1S/C9H12Cl3N3O3S2/c1-5-7(19-4-6(16)14(5)2)13-18-8(17)15(3)20-9(10,11)12/h5H,4H2,1-3H3"	"FVWDMVWBDHYPKS-UHFFFAOYSA-N"	TRUE	FALSE	3.54	1	1
"66660-95-5"	NA	NA	"Public_CrossChecked"	"CC(C)N(CCON=C1CCCCCC1=CC1C=CC=CC=1)C(C)C"	"[O-]C(=O)/C=C/C(=O)O"	"InChI=1S/C22H34N2O/c1-18(2)24(19(3)4)15-16-25-23-22-14-10-6-9-13-21(22)17-20-11-7-5-8-12-20/h5,7-8,11-12,17-19H,6,9-10,13-16H2,1-4H3"	"VIHOHTOSUXOBSD-UHFFFAOYSA-N"	FALSE	FALSE	537	3	4
"66669-53-2"	NA	NA	"Public_CrossChecked"	"OC(=O)C(CC(O)=O)(CCC(O)=O)P(O)(O)=O"	"[Na+].[Na+].[Na+]"	"InChI=1S/C7H11O9P/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16)"	"SZHQPBJEOCHCKM-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"6670-95-7"	NA	NA	"Public_CrossChecked"	"CC1=CC2C=C(OC)C(=CC=2C(CC2=CC(OC)=C(C=C2)OCC)=N1)OC"	"OP(=O)(O)O"	"InChI=1S/C22H25NO4/c1-6-27-19-8-7-15(11-20(19)24-3)10-18-17-13-22(26-5)21(25-4)12-16(17)9-14(2)23-18/h7-9,11-13H,6,10H2,1-5H3"	"NFABMCCMPXXBFY-UHFFFAOYSA-N"	FALSE	TRUE	2069	3	5
"6673-35-4"	"DTXSID0021179"	"Practolol"	"EPA_DSSTox"	"CC(=O)NC1C=CC(=CC=1)OCC(O)CNC(C)C"	"?"	"InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)"	"DURULFYMVIFBIR-UHFFFAOYSA-N"	FALSE	TRUE	3458	3	5
"66734-13-2"	"DTXSID6045535"	"Alclometasone dipropionate"	"EPA_DSSTox"	"CC1CC2C3C(Cl)CC4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1(OC(=O)CC)C(=O)COC(=O)CC"	"?"	"InChI=1S/C28H37ClO7/c1-6-22(33)35-14-21(32)28(36-23(34)7-2)15(3)10-18-24-19(29)12-16-11-17(30)8-9-26(16,4)25(24)20(31)13-27(18,28)5/h8-9,11,15,18-20,24-25,31H,6-7,10,12-14H2,1-5H3"	"DJHCCTTVDRAMEH-UHFFFAOYSA-N"	FALSE	TRUE	3593	3	5
"6674-22-2"	"DTXSID2049424"	"1,8-Diazabicyclo[5.4.0]undec-7-ene"	"EPA_DSSTox"	"C1CCN2CCCCCC2=N1"	"?"	"InChI=1S/C9H16N2/c1-2-5-9-10-6-4-8-11(9)7-3-1/h1-8H2"	"GQHTUMJGOHRCHB-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	NA
"66794-74-9"	"DTXSID2049004"	"Encainide hydrochloride"	"EPA_DSSTox"	"COC1C=CC(=CC=1)C(=O)NC1C=CC=CC=1CCC1CCCCN1C"	"Cl"	"InChI=1S/C22H28N2O2/c1-24-16-6-5-8-19(24)13-10-17-7-3-4-9-21(17)23-22(25)18-11-14-20(26-2)15-12-18/h3-4,7,9,11-12,14-15,19H,5-6,8,10,13,16H2,1-2H3,(H,23,25)"	"PJWPNDMDCLXCOM-UHFFFAOYSA-N"	FALSE	FALSE	57	2	3
"66803-19-8"	"DTXSID3048609"	"Micronomicin sulfate"	"EPA_DSSTox"	"CNC1C(O)C(OC2C(O)C(OC3OC(CNC)CCC3N)C(N)CC2N)OCC1(C)O"	"S(=O)(=O)(O)O"	"InChI=1S/C20H41N5O7/c1-20(28)8-29-19(14(27)17(20)25-3)32-16-12(23)6-11(22)15(13(16)26)31-18-10(21)5-4-9(30-18)7-24-2/h9-19,24-28H,4-8,21-23H2,1-3H3"	"DNYGXMICFMACRA-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"66827-38-1"	"DTXSID8058451"	"SD-43775"	"EPA_DSSTox"	"CC(C)C(C1=CC=C(Cl)C=C1)C(=O)OC(C#N)C1C=CC(=CC=1)OC1C=CC=CC=1"	"?"	"InChI=1S/C25H22ClNO3/c1-17(2)24(19-8-12-20(26)13-9-19)25(28)30-23(16-27)18-10-14-22(15-11-18)29-21-6-4-3-5-7-21/h3-15,17,23-24H,1-2H3"	"MKLAMBQQMOQHPH-UHFFFAOYSA-N"	FALSE	FALSE	451	2	4
"6683-17-6"	NA	NA	"Public_CrossChecked"	"CC(C)CC1NC(=O)C(CCN)NC(=O)C(CCNC(=O)C(NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(NC1=O)C(C)O)C(C)O)NC(=O)C(CCN)NC(=O)C(NC(=O)C(CCN)NC(=O)CCCCC(C)CC)C(C)O"	"?"	"InChI=1S/C51H96N16O14/c1-8-27(4)11-9-10-12-38(71)58-31(13-19-52)46(76)66-40(29(6)69)50(80)63-34(16-22-55)43(73)61-36-18-24-57-49(79)39(28(5)68)65-47(77)35(17-23-56)60-42(72)33(15-21-54)62-51(81)41(30(7)70)67-48(78)37(25-26(2)3)64-44(74)32(14-20-53)59-45(36)75/h26-37,39-41,68-70H,8-25,52-56H2,1-7H3,(H,57,79)(H,58,71)(H,59,75)(H,60,72)(H,61,73)(H,62,81)(H,63,80)(H,64,74)(H,65,77)(H,66,76)(H,67,78)"	"XRBFWBMDMQIAQF-UHFFFAOYSA-N"	FALSE	FALSE	910	3	4
"6683-19-8"	"DTXSID1027633"	"Irganox 1010"	"EPA_DSSTox"	"CC(C)(C)C1=CC(CCC(=O)OCC(COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)(COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C"	"?"	"InChI=1S/C73H108O12/c1-65(2,3)49-33-45(34-50(61(49)78)66(4,5)6)25-29-57(74)82-41-73(42-83-58(75)30-26-46-35-51(67(7,8)9)62(79)52(36-46)68(10,11)12,43-84-59(76)31-27-47-37-53(69(13,14)15)63(80)54(38-47)70(16,17)18)44-85-60(77)32-28-48-39-55(71(19,20)21)64(81)56(40-48)72(22,23)24/h33-40,78-81H,25-32,41-44H2,1-24H3"	"BGYHLZZASRKEJE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"66839-98-3"	"DTXSID80216960"	"Pyrrolidine, 1-((4-methoxy(1,1'-biphenyl)-3-yl)methyl)-"	"EPA_DSSTox"	"COC1=CC=C(C=C1CN1CCCC1)C1C=CC=CC=1"	"?"	"InChI=1S/C18H21NO/c1-20-18-10-9-16(15-7-3-2-4-8-15)13-17(18)14-19-11-5-6-12-19/h2-4,7-10,13H,5-6,11-12,14H2,1H3"	"XCZQEISPIDIEIT-UHFFFAOYSA-N"	TRUE	FALSE	28	1	2
"66839-99-4"	"DTXSID40216961"	"(1,1'-Biphenyl)-4-ol, 3-(1-piperidinylmethyl)-"	"EPA_DSSTox"	"OC1=CC=C(C=C1CN1CCCCC1)C1C=CC=CC=1"	"?"	"InChI=1S/C18H21NO/c20-18-10-9-16(15-7-3-1-4-8-15)13-17(18)14-19-11-5-2-6-12-19/h1,3-4,7-10,13,20H,2,5-6,11-12,14H2"	"PIMVNKNCUGLQQJ-UHFFFAOYSA-N"	TRUE	FALSE	30	1	2
"66840-01-5"	"DTXSID20216964"	"Pyrrolidine, 1-((4-ethoxy(1,1'-biphenyl)-3-yl)methyl)-"	"EPA_DSSTox"	"CCOC1=CC=C(C=C1CN1CCCC1)C1C=CC=CC=1"	"?"	"InChI=1S/C19H23NO/c1-2-21-19-11-10-17(16-8-4-3-5-9-16)14-18(19)15-20-12-6-7-13-20/h3-5,8-11,14H,2,6-7,12-13,15H2,1H3"	"RWNOJEXTQKOFTD-UHFFFAOYSA-N"	TRUE	FALSE	30	1	2
"6685-76-3"	"DTXSID70216974"	"Carbonic acid, compound with phenylguanidine (1:1)"	"EPA_DSSTox"	"NC(N)=NC1C=CC=CC=1"	"OC(O)=O"	"InChI=1S/C7H9N3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H4,8,9,10)"	"QRJZGVVKGFIGLI-UHFFFAOYSA-N"	FALSE	NA	NA	3	NA
"66871-56-5"	"DTXSID4049080"	"Lidamidine"	"EPA_DSSTox"	"[H]/N=C(/NC(=O)NC1C(C)=CC=CC=1C)\NC"	"?"	"InChI=1S/C11H16N4O/c1-7-5-4-6-8(2)9(7)14-11(16)15-10(12)13-3/h4-6H,1-3H3,(H4,12,13,14,15,16)"	"RRHJHSBDJDZUGL-UHFFFAOYSA-N"	FALSE	FALSE	184	2	3
"66898-62-2"	"DTXSID3046740"	"Talniflumate"	"EPA_DSSTox"	"O=C(OC1OC(=O)C2C=CC=CC=21)C1C=CC=NC=1NC1=CC(=CC=C1)C(F)(F)F"	"?"	"InChI=1S/C21H13F3N2O4/c22-21(23,24)12-5-3-6-13(11-12)26-17-16(9-4-10-25-17)19(28)30-20-15-8-2-1-7-14(15)18(27)29-20/h1-11,20H,(H,25,26)"	"ANMLJLFWUCQGKZ-UHFFFAOYSA-N"	FALSE	TRUE	12000	4	5
"669005-94-1"	"DTXSID90889200"	"3-Pyridinecarbonitrile, 4-methyl-2,6-bis[(4-methylphenyl)amino]-5-[2-[2-(trifluoromethyl)phenyl]diazenyl]-"	"EPA_DSSTox"	"CC1C=CC(=CC=1)NC1=NC(NC2C=CC(C)=CC=2)=C(C#N)C(C)=C1N=NC1=CC=CC=C1C(F)(F)F"	"?"	"InChI=1S/C28H23F3N6/c1-17-8-12-20(13-9-17)33-26-22(16-32)19(3)25(27(35-26)34-21-14-10-18(2)11-15-21)37-36-24-7-5-4-6-23(24)28(29,30)31/h4-15H,1-3H3,(H2,33,34,35)"	"FOICTPKVVFHDJU-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"66934-18-7"	NA	NA	"Public_CrossChecked"	"CC(C(O)=O)C1C=C2N=C(OC2=CC=1)C1C=CC(F)=CC=1"	"?"	"InChI=1S/C16H12FNO3/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)"	"ARPYQKTVRGFPIS-UHFFFAOYSA-N"	FALSE	FALSE	521	3	4
"66941-48-8"	NA	NA	"Public_CrossChecked"	"CC(SCC=C)C1(CC=C)C(=O)NC(O)=NC1=O"	"[Na+]"	"InChI=1S/C12H16N2O3S/c1-4-6-12(8(3)18-7-5-2)9(15)13-11(17)14-10(12)16/h4-5,8H,1-2,6-7H2,3H3,(H2,13,14,15,16,17)"	"BFONMIVOGYMAJZ-UHFFFAOYSA-N"	FALSE	FALSE	346	2	4
"66941-53-5"	NA	NA	"Public_CrossChecked"	"CCCCSC(C)C1(CC=C)C(=O)NC(O)=NC1=O"	"[Na+]"	"InChI=1S/C13H20N2O3S/c1-4-6-8-19-9(3)13(7-5-2)10(16)14-12(18)15-11(13)17/h5,9H,2,4,6-8H2,1,3H3,(H2,14,15,16,17,18)"	"CVSZSEPCBQQDNS-UHFFFAOYSA-N"	FALSE	FALSE	639	3	4
"66941-88-6"	NA	NA	"Public_CrossChecked"	"CC(C)CC1(C(C)SCC=C)C(=O)NC(O)=NC1=O"	"[Na+]"	"InChI=1S/C13H20N2O3S/c1-5-6-19-9(4)13(7-8(2)3)10(16)14-12(18)15-11(13)17/h5,8-9H,1,6-7H2,2-4H3,(H2,14,15,16,17,18)"	"VBKPVKRXXDBXQW-UHFFFAOYSA-N"	FALSE	FALSE	417	2	4
"66941-93-3"	NA	NA	"Public_CrossChecked"	"CCCC(C)C1(CSCC=C)C(=O)NC(O)=NC1=O"	"[Na+]"	"InChI=1S/C13H20N2O3S/c1-4-6-9(3)13(8-19-7-5-2)10(16)14-12(18)15-11(13)17/h5,9H,2,4,6-8H2,1,3H3,(H2,14,15,16,17,18)"	"YCMMNVVFHMDXOL-UHFFFAOYSA-N"	FALSE	FALSE	702	3	4
"66952-49-6"	"DTXSID9058155"	"Methasulfocarb"	"EPA_DSSTox"	"C/N=C(\O)/SC1C=CC(=CC=1)OS(C)(=O)=O"	"?"	"InChI=1S/C9H11NO4S2/c1-10-9(11)15-8-5-3-7(4-6-8)14-16(2,12)13/h3-6H,1-2H3,(H,10,11)"	"IXJOSTZEBSTPAG-UHFFFAOYSA-N"	FALSE	FALSE	112	2	3
"66968-39-6"	"DTXSID10873601"	"5-Ethyl-5-(1-(ethylthio)ethyl)-2-thiobarbituric acid"	"EPA_DSSTox"	"CC(SCC)C1(CC)C(=O)NC(=S)NC1=O"	"?"	"InChI=1S/C10H16N2O2S2/c1-4-10(6(3)16-5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)"	"HGDZMVAQYCQZNJ-UHFFFAOYSA-N"	FALSE	FALSE	772	3	4
"66996-10-9"	NA	NA	"Public_CrossChecked"	"CN(SN(C(C)C)P(=S)(OCC)OCC)C(=O)ON=C(C)SC"	"?"	"InChI=1S/C12H26N3O4PS3/c1-8-17-20(21,18-9-2)15(10(3)4)23-14(6)12(16)19-13-11(5)22-7/h10H,8-9H2,1-7H3"	"LUUBXWVNTJZJPR-UHFFFAOYSA-N"	FALSE	FALSE	325	2	4
"67-03-8"	"DTXSID0040622"	"Thiamine hydrochloride"	"EPA_DSSTox"	"CC1N=CC(C[N+]2=CSC(CCO)=C2C)=C(N)N=1"	"[Cl-].Cl"	"InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1"	"JZRWCGZRTZMZEH-UHFFFAOYSA-N"	FALSE	TRUE	3710	3	5
"67-30-1"	"DTXSID5048186"	"Tetrac"	"EPA_DSSTox"	"OC1C(I)=CC(=CC=1I)OC1=C(I)C=C(CC(O)=O)C=C1I"	"?"	"InChI=1S/C14H8I4O4/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H,19,20)"	"PPJYSSNKSXAVDB-UHFFFAOYSA-N"	TRUE	FALSE	0.825	1	1
"67-42-5"	"DTXSID2045151"	"Egtazic Acid"	"EPA_DSSTox"	"OC(=O)CN(CC(O)=O)CCOCCOCCN(CC(O)=O)CC(O)=O"	"?"	"InChI=1S/C14H24N2O10/c17-11(18)7-15(8-12(19)20)1-3-25-5-6-26-4-2-16(9-13(21)22)10-14(23)24/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)"	"DEFVIWRASFVYLL-UHFFFAOYSA-N"	FALSE	TRUE	3587	3	5
"67-47-0"	"DTXSID3030428"	"5-(Hydroxymethyl)-2-furfural"	"EPA_DSSTox"	"OCC1=CC=C(C=O)O1"	"?"	"InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2"	"NOEGNKMFWQHSLB-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"67-48-1"	"DTXSID4020325"	"Choline chloride"	"EPA_DSSTox"	"C[N+](C)(C)CCO"	"[Cl-]"	"InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1"	"OEYIOHPDSNJKLS-UHFFFAOYSA-N"	FALSE	TRUE	3400	3	5
"67-51-6"	"DTXSID5058777"	"3,5-Dimethylpyrazole"	"EPA_DSSTox"	"CC1=CC(C)=NN1"	"?"	"InChI=1S/C5H8N2/c1-4-3-5(2)7-6-4/h3H,1-2H3,(H,6,7)"	"SDXAWLJRERMRKF-UHFFFAOYSA-N"	FALSE	FALSE	1717	3	4
"67-52-7"	"DTXSID8020129"	"Barbituric acid"	"EPA_DSSTox"	"O=C1NC(=O)CC(=O)N1"	"?"	"InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)"	"HNYOPLTXPVRDBG-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"67-56-1"	"DTXSID2021731"	"Methanol"	"EPA_DSSTox"	"CO"	"?"	"InChI=1S/CH4O/c1-2/h2H,1H3"	"OKKJLVBELUTLKV-UHFFFAOYSA-N"	FALSE	TRUE	6200	4	5
"67-63-0"	"DTXSID7020762"	"Isopropanol"	"EPA_DSSTox"	"CC(C)O"	"?"	"InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3"	"KFZMGEQAYNKOFK-UHFFFAOYSA-N"	FALSE	TRUE	4710	3	5
"67-64-1"	"DTXSID8021482"	"Acetone"	"EPA_DSSTox"	"CC(C)=O"	"?"	"InChI=1S/C3H6O/c1-3(2)4/h1-2H3"	"CSCPPACGZOOCGX-UHFFFAOYSA-N"	FALSE	TRUE	5800	4	5
"67-66-3"	"DTXSID1020306"	"Chloroform"	"EPA_DSSTox"	"ClC(Cl)Cl"	"?"	"InChI=1S/CHCl3/c2-1(3)4/h1H"	"HEDRZPFGACZZDS-UHFFFAOYSA-N"	FALSE	FALSE	801.5	3	4
"67-68-5"	"DTXSID2021735"	"Dimethyl sulfoxide"	"EPA_DSSTox"	"CS(C)=O"	"?"	"InChI=1S/C2H6OS/c1-4(2)3/h1-2H3"	"IAZDPXIOMUYVGZ-UHFFFAOYSA-N"	FALSE	TRUE	14500	4	5
"67-71-0"	"DTXSID4043937"	"Dimethyl sulfone"	"EPA_DSSTox"	"CS(C)(=O)=O"	"?"	"InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3"	"HHVIBTZHLRERCL-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"67-73-2"	"DTXSID0040674"	"Fluocinolone acetonide"	"EPA_DSSTox"	"CC1(C)OC2(C(CC3C4CC(F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC23C)O1)C(=O)CO"	"?"	"InChI=1S/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3"	"FEBLZLNTKCEFIT-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"670-40-6"	"DTXSID20217198"	"Pseudoephedrine, hydrochloride, (-)-"	"EPA_DSSTox"	"CC(NC)C(O)C1C=CC=CC=1"	"Cl"	"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3"	"KWGRBVOPPLSCSI-UHFFFAOYSA-N"	FALSE	FALSE	464	2	4
"670-54-2"	"DTXSID7049425"	"Tetracyanoethylene"	"EPA_DSSTox"	"N#CC(C#N)=C(C#N)C#N"	"?"	"InChI=1S/C6N4/c7-1-5(2-8)6(3-9)4-10"	"NLDYACGHTUPAQU-UHFFFAOYSA-N"	TRUE	FALSE	5	1	2
"6700-56-7"	NA	NA	"Public_CrossChecked"	"CCOC(=O)C1(CCCN(C)CC1)C1C=CC=CC=1"	"C(C(=O)O)C(CC(=O)O)(C(=O)O)O"	"InChI=1S/C16H23NO2/c1-3-19-15(18)16(14-8-5-4-6-9-14)10-7-12-17(2)13-11-16/h4-6,8-9H,3,7,10-13H2,1-2H3"	"WGJHHMKQBWSQIY-UHFFFAOYSA-N"	FALSE	FALSE	580	3	4
"67050-64-0"	NA	NA	"Public_CrossChecked"	"CCCCSC(C)C1(CC)C(=O)NC(O)=NC1=O"	"[Na+]"	"InChI=1S/C12H20N2O3S/c1-4-6-7-18-8(3)12(5-2)9(15)13-11(17)14-10(12)16/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17)"	"XDKIEIGEXSKEFX-UHFFFAOYSA-N"	FALSE	FALSE	582	3	4
"67055-59-8"	NA	NA	"Public_CrossChecked"	"CC(C(O)C1C=CC=CC=1)N(C)CCC#N"	"?"	"InChI=1S/C13H18N2O/c1-11(15(2)10-6-9-14)13(16)12-7-4-3-5-8-12/h3-5,7-8,11,13,16H,6,10H2,1-2H3"	"ANQHQOKTEJIOOQ-UHFFFAOYSA-N"	FALSE	FALSE	940	3	4
"6707-60-4"	"DTXSID4047705"	"12-Oxahexadecanolide"	"EPA_DSSTox"	"O=C1CCCCCCCCCCOCCCCO1"	"?"	"InChI=1S/C15H28O3/c16-15-11-7-5-3-1-2-4-6-8-12-17-13-9-10-14-18-15/h1-14H2"	"MRMOPGVGWFNHIN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"67075-37-0"	"DTXSID6070485"	"Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(2-phenylethyl)-"	"EPA_DSSTox"	"O=C1C2=CC=C3C4=C2C(=CC=C4C2=CC=C4C5C2=C3C=CC=5C(=O)N(CCC2C=CC=CC=2)C4=O)C(=O)N1CCC1C=CC=CC=1"	"?"	"InChI=1S/C40H26N2O4/c43-37-29-15-11-25-27-13-17-31-36-32(40(46)42(39(31)45)22-20-24-9-5-2-6-10-24)18-14-28(34(27)36)26-12-16-30(35(29)33(25)26)38(44)41(37)21-19-23-7-3-1-4-8-23/h1-18H,19-22H2"	"IIKSFQIOFHBWSO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"671-04-5"	"DTXSID7041754"	"Carbanolate"	"EPA_DSSTox"	"CC1=CC(OC(=O)NC)=C(Cl)C=C1C"	"?"	"InChI=1S/C10H12ClNO2/c1-6-4-8(11)9(5-7(6)2)14-10(13)12-3/h4-5H,1-3H3,(H,12,13)"	"QRTXZGIQTYDABO-UHFFFAOYSA-N"	TRUE	FALSE	30	1	2
"671-95-4"	"DTXSID4046153"	"Clofenamide"	"EPA_DSSTox"	"NS(=O)(=O)C1=CC(=CC=C1Cl)S(N)(=O)=O"	"?"	"InChI=1S/C6H7ClN2O4S2/c7-5-2-1-4(14(8,10)11)3-6(5)15(9,12)13/h1-3H,(H2,8,10,11)(H2,9,12,13)"	"NENBAISIHCWPKP-UHFFFAOYSA-N"	FALSE	FALSE	340	2	4
"6711-48-4"	"DTXSID7044974"	"N'-[3-(Dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine"	"EPA_DSSTox"	"CN(C)CCCNCCCN(C)C"	"?"	"InChI=1S/C10H25N3/c1-12(2)9-5-7-11-8-6-10-13(3)4/h11H,5-10H2,1-4H3"	"BXYVQNNEFZOBOZ-UHFFFAOYSA-N"	FALSE	TRUE	2250	3	5
"67129-08-2"	"DTXSID4058156"	"Metazachlor"	"EPA_DSSTox"	"CC1C=CC=C(C)C=1N(CN1C=CC=N1)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"	FALSE	FALSE	1000	3	4
"67151-63-7"	"DTXSID2044975"	"1-{Bis[3-(dimethylamino)propyl]amino}propan-2-ol"	"EPA_DSSTox"	"CC(O)CN(CCCN(C)C)CCCN(C)C"	"?"	"InChI=1S/C13H31N3O/c1-13(17)12-16(10-6-8-14(2)3)11-7-9-15(4)5/h13,17H,6-12H2,1-5H3"	"NWDRKFORNVPWLY-UHFFFAOYSA-N"	FALSE	FALSE	1332	3	4
"67210-66-6"	"DTXSID40886820"	"2H-1-Benzopyran-2-one, 7-(diethylamino)-4-methyl-, sulfate (1:1)"	"EPA_DSSTox"	"CC1=CC(=O)OC2C=C(C=CC1=2)N(CC)CC"	"OS(O)(=O)=O"	"InChI=1S/C14H17NO2/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11/h6-9H,4-5H2,1-3H3"	"AFYCEAFSNDLKSX-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"6723-40-6"	"DTXSID50217560"	"Fluindarol"	"EPA_DSSTox"	"O=C1C(C2C=CC(=CC=2)C(F)(F)F)C(=O)C2=CC=CC=C12"	"?"	"InChI=1S/C16H9F3O2/c17-16(18,19)10-7-5-9(6-8-10)13-14(20)11-3-1-2-4-12(11)15(13)21/h1-8,13H"	"DGRHWUCYLVPQJY-UHFFFAOYSA-N"	FALSE	FALSE	198	2	3
"67238-62-4"	"DTXSID50217565"	"Ether, 4-chlorophenyl (4'-chloro-2'-chloromethylaminophenyl)"	"EPA_DSSTox"	"ClCNC1=CC(Cl)=CC=C1OC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C13H10Cl3NO/c14-8-17-12-7-10(16)3-6-13(12)18-11-4-1-9(15)2-5-11/h1-7,17H,8H2"	"OMNUAMDKZJPWNI-UHFFFAOYSA-N"	FALSE	FALSE	726	3	4
"67239-04-7"	"DTXSID00217570"	"Cyclohexylamine, N-methyl-N-tributoxysilyl-"	"EPA_DSSTox"	"CN(C1CCCCC1)[Si](OCCCC)(OCCCC)OCCCC"	"?"	"InChI=1S/C19H41NO3Si/c1-5-8-16-21-24(22-17-9-6-2,23-18-10-7-3)20(4)19-14-12-11-13-15-19/h19H,5-18H2,1-4H3"	"UUPMOZGZHDUXSS-UHFFFAOYSA-N"	FALSE	TRUE	3550	3	5
"67239-26-3"	"DTXSID80217573"	"Isoxazolo(5,4-d)pyrimidine, 6-tert-butyl-3-isopropyl-"	"EPA_DSSTox"	"CC(C)C1=NOC2N=C(N=CC=21)C(C)(C)C"	"?"	"InChI=1S/C12H17N3O/c1-7(2)9-8-6-13-11(12(3,4)5)14-10(8)16-15-9/h6-7H,1-5H3"	"RDDMWSDWKDYTNW-UHFFFAOYSA-N"	FALSE	TRUE	15400	4	5
"6724-53-4"	"DTXSID1021114"	"Perhexiline maleate"	"EPA_DSSTox"	"C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1"	"C(/C=C\C(=O)O)(O)=O"	"InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2"	"CYXKNKQEMFBLER-UHFFFAOYSA-N"	FALSE	TRUE	2150	3	5
"67255-31-6"	"DTXSID30217583"	"Hydrel"	"EPA_DSSTox"	"OP(O)(=O)CCCl"	"NN"	"InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)"	"UDPGUMQDCGORJQ-UHFFFAOYSA-N"	FALSE	TRUE	2200	3	5
"67274-16-2"	NA	NA	"Public_CrossChecked"	"CC(C1C=C(C=C(CN(C)C(C)CCCCCCCCCCCCCCCCC(O)=O)C=1O)C(C)N(C)CCCCCCCCCCCCCCCCCC(O)=O)N(C)CCCCCCCCCCCCCCCCCC(O)=O"	"?"	"InChI=1S/C69H129N3O7/c1-60(51-45-39-33-27-21-15-11-12-18-24-30-36-42-48-54-68(77)78)72(6)59-64-57-63(61(2)70(4)55-49-43-37-31-25-19-13-7-9-16-22-28-34-40-46-52-66(73)74)58-65(69(64)79)62(3)71(5)56-50-44-38-32-26-20-14-8-10-17-23-29-35-41-47-53-67(75)76/h57-58,60-62,79H,7-56,59H2,1-6H3,(H,73,74)(H,75,76)(H,77,78)"	"RWLRWONNIHIYGR-UHFFFAOYSA-N"	FALSE	TRUE	11800	4	5
"673-04-1"	"DTXSID9042388"	"Simetone"	"EPA_DSSTox"	"COC1N=C(NCC)N=C(NCC)N=1"	"?"	"InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)"	"HKAMKLBXTLTVCN-UHFFFAOYSA-N"	FALSE	FALSE	535	3	4
"673-31-4"	"DTXSID2046464"	"Phenprobamate"	"EPA_DSSTox"	"NC(=O)OCCCC1C=CC=CC=1"	"?"	"InChI=1S/C10H13NO2/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,11,12)"	"CAMYKONBWHRPDD-UHFFFAOYSA-N"	FALSE	FALSE	1110	3	4
"67306-03-0"	"DTXSID4034601"	"(2R,6S)-Fenpropimorph"	"EPA_DSSTox"	"CC(CC1C=CC(=CC=1)C(C)(C)C)CN1CC(C)OC(C)C1"	"?"	"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"	FALSE	TRUE	3540	3	5
"6731-36-8"	"DTXSID4020165"	"1,1-Bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane"	"EPA_DSSTox"	"CC1(C)CC(C)CC(C1)(OOC(C)(C)C)OOC(C)(C)C"	"?"	"InChI=1S/C17H34O4/c1-13-10-16(8,9)12-17(11-13,20-18-14(2,3)4)21-19-15(5,6)7/h13H,10-12H2,1-9H3"	"NALFRYPTRXKZPN-UHFFFAOYSA-N"	FALSE	TRUE	12918	4	5
"67329-03-7"	NA	NA	"Public_CrossChecked"	"CC(SP(=S)(OC)OC)N1CC(=O)C(=O)C1"	"?"	"InChI=1S/C8H14NO4PS2/c1-6(16-14(15,12-2)13-3)9-4-7(10)8(11)5-9/h6H,4-5H2,1-3H3"	"COQPDVSXTCXUNW-UHFFFAOYSA-N"	TRUE	FALSE	5.6	1	2
"67330-25-0"	NA	NA	"Public_CrossChecked"	"CCCCOC(=O)C1C=CC=CC=1NC1=CC(=CC=C1)C(F)(F)F"	"?"	"InChI=1S/C18H18F3NO2/c1-2-3-11-24-17(23)15-9-4-5-10-16(15)22-14-8-6-7-13(12-14)18(19,20)21/h4-10,12,22H,2-3,11H2,1H3"	"JDLSRXWHEBFHNC-UHFFFAOYSA-N"	FALSE	FALSE	510	3	4
"6734-80-1"	"DTXSID2040361"	"Metam-sodium hydrate"	"EPA_DSSTox"	"CNC(S)=S"	"[Na+].O.O.O"	"InChI=1S/C2H5NS2/c1-3-2(4)5/h1H3,(H2,3,4,5)"	"HYVVJDQGXFXBRZ-UHFFFAOYSA-N"	FALSE	FALSE	108	2	3
"67358-82-1"	NA	NA	"Public_CrossChecked"	"CC(C1C=CC(=CC=1)N1CC2C=CC=CC=2C1=O)C(=O)C(N)=O"	"?"	"InChI=1S/C18H16N2O3/c1-11(16(21)17(19)22)12-6-8-14(9-7-12)20-10-13-4-2-3-5-15(13)18(20)23/h2-9,11H,10H2,1H3,(H2,19,22)"	"GQDWADHQLNKYRV-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"67367-65-1"	NA	NA	"Public_CrossChecked"	"CCN(CC(=O)C1=C2CCCC2=CC2CCCC=21)CC"	"C(=C/C(=O)[O-])/C(=O)O"	"InChI=1S/C18H25NO/c1-3-19(4-2)12-17(20)18-15-9-5-7-13(15)11-14-8-6-10-16(14)18/h11H,3-10,12H2,1-2H3"	"JYKASXPCGNGOTM-UHFFFAOYSA-N"	FALSE	TRUE	2220	3	5
"67369-98-6"	"DTXSID50217722"	"1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, (alpha,alpha,alpha-trifluoro-m-tolyl) ester"	"EPA_DSSTox"	"CC1=C(CC(=O)OC2C=C(C=CC=2)C(F)(F)F)C2=CC(=CC=C2N1C(=O)C1C=CC(Cl)=CC=1)OC"	"?"	"InChI=1S/C26H19ClF3NO4/c1-15-21(14-24(32)35-20-5-3-4-17(12-20)26(28,29)30)22-13-19(34-2)10-11-23(22)31(15)25(33)16-6-8-18(27)9-7-16/h3-13H,14H2,1-2H3"	"KPIGFIICBCBCLE-UHFFFAOYSA-N"	FALSE	FALSE	307	2	4
"67369-99-7"	"DTXSID10217723"	"1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, m-tolyl ester"	"EPA_DSSTox"	"COC1C=C2C(CC(=O)OC3C=C(C)C=CC=3)=C(C)N(C2=CC=1)C(=O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C26H22ClNO4/c1-16-5-4-6-21(13-16)32-25(29)15-22-17(2)28(24-12-11-20(31-3)14-23(22)24)26(30)18-7-9-19(27)10-8-18/h4-14H,15H2,1-3H3"	"QDCVWPQCSLGGCA-UHFFFAOYSA-N"	FALSE	FALSE	98	2	3
"67370-00-7"	"DTXSID70217724"	"IND 9"	"EPA_DSSTox"	"CC1=C(CC(=O)NC2CCCC2)C2=CC(=CC=C2N1C(=O)C1C=CC(Cl)=CC=1)OC"	"?"	"InChI=1S/C24H25ClN2O3/c1-15-20(14-23(28)26-18-5-3-4-6-18)21-13-19(30-2)11-12-22(21)27(15)24(29)16-7-9-17(25)10-8-16/h7-13,18H,3-6,14H2,1-2H3,(H,26,28)"	"QNTSPVCOCABCSM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"67375-30-8"	"DTXSID7041201"	"alpha-Cypermethrin"	"EPA_DSSTox"	"CC1(C)C(C1C=C(Cl)Cl)C(=O)OC(C#N)C1C=CC=C(C=1)OC1C=CC=CC=1"	"?"	"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"	FALSE	FALSE	57	2	3
"67403-00-3"	"DTXSID3034290"	"Potassium 3,4-dichloro-5-isothiazolecarboxylate"	"EPA_DSSTox"	"OC(=O)C1SN=C(Cl)C=1Cl"	"[K+]"	"InChI=1S/C4HCl2NO2S/c5-1-2(4(8)9)10-7-3(1)6/h(H,8,9)"	"HQZKNCJWLIWCSV-UHFFFAOYSA-N"	FALSE	FALSE	1200	3	4
"67409-24-9"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCCCCOCC(O)COS([O-])(=O)=S"	"[Na+]"	"InChI=1S/C15H32O5S2/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15(16)14-20-22(17,18)21/h15-16H,2-14H2,1H3,(H,17,18,21)/p-1"	"SKLBVENTCWBDHA-UHFFFAOYSA-M"	FALSE	FALSE	1820	3	4
"67446-03-1"	"DTXSID90217786"	"Anthra(9,1,2-cde)benzo(rst)pentaphene-5,10-dione, 15,18-dinitro-"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC2=C3C4=C1C1=CC=CC=C1C(=O)C4=CC=C3C1=CC=C3C4=C(C(=CC2=C14)[N+]([O-])=O)C1=CC=CC=C1C3=O"	"?"	"InChI=1S/C34H14N2O6/c37-33-19-7-3-1-5-15(19)29-25(35(39)40)13-23-24-14-26(36(41)42)30-16-6-2-4-8-20(16)34(38)22-12-10-18(28(24)32(22)30)17-9-11-21(33)31(29)27(17)23/h1-14H"	"PFCKWBBXWHDJRJ-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"674773-12-7"	"DTXSID00407095"	"methyl 5-amino-4-cyano-3-(2-methoxy-2-oxoethyl)thiophene-2-carboxylate"	"EPA_DSSTox"	"COC(=O)C1SC(N)=C(C#N)C=1CC(=O)OC"	"?"	"InChI=1S/C10H10N2O4S/c1-15-7(13)3-5-6(4-11)9(12)17-8(5)10(14)16-2/h3,12H2,1-2H3"	"BLYLWUDQKYBGJD-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"675-62-7"	"DTXSID8027290"	"Silane, dichloromethyl(3,3,3-trifluoropropyl)-"	"EPA_DSSTox"	"C[Si](Cl)(Cl)CCC(F)(F)F"	"?"	"InChI=1S/C4H7Cl2F3Si/c1-10(5,6)3-2-4(7,8)9/h2-3H2,1H3"	"OHABWQNEJUUFAV-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"6754-13-8"	"DTXSID50217868"	"Helenalin"	"EPA_DSSTox"	"CC1CC2OC(=O)C(=C)C2C(O)C2(C)C1C=CC2=O"	"?"	"InChI=1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3"	"ZVLOPMNVFLSSAA-UHFFFAOYSA-N"	FALSE	FALSE	125	2	3
"67557-56-6"	"DTXSID50217888"	"Methyl(butyroxymethyl)nitrosamine"	"EPA_DSSTox"	"CCCC(=O)OCN(C)N=O"	"?"	"InChI=1S/C6H12N2O3/c1-3-4-6(9)11-5-8(2)7-10/h3-5H2,1-2H3"	"QYSCDYCXQPWICC-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"67557-57-7"	"DTXSID10217889"	"Acetic acid, methylnitrosaminomethyl-d3 ester"	"EPA_DSSTox"	"CC(=O)OCN(C)N=O"	"?"	"InChI=1S/C4H8N2O3/c1-4(7)9-3-6(2)5-8/h3H2,1-2H3"	"WBXQXRXMGCOVHA-UHFFFAOYSA-N"	FALSE	FALSE	120	2	3
"67584-55-8"	"DTXSID7070507"	"2-Propenoic acid, 2-[methyl[(nonafluorobutyl)sulfonyl]amino]ethyl ester"	"EPA_DSSTox"	"CN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	"?"	"InChI=1S/C10H10F9NO4S/c1-3-6(21)24-5-4-20(2)25(22,23)10(18,19)8(13,14)7(11,12)9(15,16)17/h3H,1,4-5H2,2H3"	"KEMCLRGAIUJRAN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"676-83-5"	"DTXSID1060978"	"Methylphosphonous dichloride"	"EPA_DSSTox"	"CP(Cl)Cl"	"?"	"InChI=1S/CH3Cl2P/c1-4(2)3/h1H3"	"CDPKWOKGVUHZFR-UHFFFAOYSA-N"	FALSE	FALSE	830	3	4
"67610-51-9"	"DTXSID50217929"	"1-Piperidineethanamine, N-(3-chlorophenyl)-N-(4-(1,1-dimethylethyl)phenyl)-, monohydrochloride"	"EPA_DSSTox"	"CC(C)(C)C1C=CC(=CC=1)N(CCN1CCCCC1)C1=CC(Cl)=CC=C1"	"Cl"	"InChI=1S/C23H31ClN2/c1-23(2,3)19-10-12-21(13-11-19)26(22-9-7-8-20(24)18-22)17-16-25-14-5-4-6-15-25/h7-13,18H,4-6,14-17H2,1-3H3"	"KNRRFTRGWRECAN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"67658-42-8"	NA	NA	"Public_CrossChecked"	"CCN1CC(CC2C1CC1=CNC3C=CC=C2C1=3)CC(N)=O"	"[C@@H]([C@H](C(=O)O)O)(C(=O)O)O"	"InChI=1S/C18H23N3O/c1-2-21-10-11(7-17(19)22)6-14-13-4-3-5-15-18(13)12(9-20-15)8-16(14)21/h3-5,9,11,14,16,20H,2,6-8,10H2,1H3,(H2,19,22)"	"QDUHCWBALDBMDH-UHFFFAOYSA-N"	TRUE	FALSE	38.5	1	2
"67700-30-5"	NA	NA	"Public_CrossChecked"	"CC(C(O)=O)C1C=CC=C2C=1OC=C2C1C=CC=CC=1"	"?"	"InChI=1S/C17H14O3/c1-11(17(18)19)13-8-5-9-14-15(10-20-16(13)14)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)"	"ODZUWQAFWMLWCF-UHFFFAOYSA-N"	FALSE	FALSE	950	3	4
"6775-25-3"	NA	NA	"Public_CrossChecked"	"CC1C=CC=CC=1OCC(O)CN1CC=CCC1"	"Cl"	"InChI=1S/C15H21NO2/c1-13-7-3-4-8-15(13)18-12-14(17)11-16-9-5-2-6-10-16/h2-5,7-8,14,17H,6,9-12H2,1H3"	"SHAMZCLZESSQBD-UHFFFAOYSA-N"	FALSE	FALSE	340	2	4
"67762-53-2"	NA	NA	"Public_CrossChecked"	"CCCCCCCOCC(COCCCCCCC)(COCCCCCCC)COCCCCCCC"	"?"	"InChI=1S/C33H68O4/c1-5-9-13-17-21-25-34-29-33(30-35-26-22-18-14-10-6-2,31-36-27-23-19-15-11-7-3)32-37-28-24-20-16-12-8-4/h5-32H2,1-4H3"	"PIZFEKJNYKNABG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"67774-74-7"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCCCC1C=CC=CC=1"	"?"	"InChI=1S/C17H28/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h10,12-13,15-16H,2-9,11,14H2,1H3"	"XBEADGFTLHRJRB-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"67785-77-7"	"DTXSID90867326"	"Benzeneethanol, .alpha.,.alpha.-dimethyl-, 1-propanoate"	"EPA_DSSTox"	"CCC(=O)OC(C)(C)CC1C=CC=CC=1"	"?"	"InChI=1S/C13H18O2/c1-4-12(14)15-13(2,3)10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3"	"BLKIYRRGHOQSPP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"67786-25-8"	"DTXSID0029397"	"Tetrasodium 4,4'-bis(4-(4-sulfophenylamino)-6-(bis(2-hydroxypropyl)amino)-s-triazin-2-yl)amino-2,2-stilbenedisulfonate"	"EPA_DSSTox"	"CC(O)CN(CC(C)O)C1=NC(NC2=CC(=C(C=CC3C=CC(=CC=3S(O)(=O)=O)NC3N=C(NC4C=CC(=CC=4)S(O)(=O)=O)N=C(N=3)N(CC(C)O)CC(C)O)C=C2)S(O)(=O)=O)=NC(NC2C=CC(=CC=2)S(O)(=O)=O)=N1"	"[Na+].[Na+].[Na+].[Na+]"	"InChI=1S/C44H52N12O16S4/c1-25(57)21-55(22-26(2)58)43-51-39(45-31-11-15-35(16-12-31)73(61,62)63)49-41(53-43)47-33-9-7-29(37(19-33)75(67,68)69)5-6-30-8-10-34(20-38(30)76(70,71)72)48-42-50-40(46-32-13-17-36(18-14-32)74(64,65)66)52-44(54-42)56(23-27(3)59)24-28(4)60/h5-20,25-28,57-60H,21-24H2,1-4H3,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,45,47,49,51,53)(H2,46,48,50,52,54)"	"WCHNJMNABRPWNP-UHFFFAOYSA-N"	FALSE	TRUE	12080	4	5
"67801-20-1"	"DTXSID7052369"	"3-Methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)pent-4-en-2-ol"	"EPA_DSSTox"	"CC(C=CC1CC=C(C)C1(C)C)C(C)O"	"?"	"InChI=1S/C14H24O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h6-8,10,12-13,15H,9H2,1-5H3"	"RNLHVODSMDJCBR-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"67814-76-0"	"DTXSID2046462"	"Isepamicin sulfate"	"EPA_DSSTox"	"CNC1C(O)C(OCC1(C)O)OC1C(CC(N)C(OC2OC(CN)C(O)C(O)C2O)C1O)NC(=O)C(O)CN"	"S(=O)(=O)(O)O"	"InChI=1S/C22H43N5O12/c1-22(35)6-36-20(15(33)18(22)26-2)39-17-8(27-19(34)9(28)4-23)3-7(25)16(14(17)32)38-21-13(31)12(30)11(29)10(5-24)37-21/h7-18,20-21,26,28-33,35H,3-6,23-25H2,1-2H3,(H,27,34)"	"UDIIBEDMEYAVNG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"67874-80-0"	"DTXSID30886995"	"Butanoic acid, 3,7-dimethyloctyl ester"	"EPA_DSSTox"	"CC(C)CCCC(C)CCOC(=O)CCC"	"?"	"InChI=1S/C14H28O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h12-13H,5-11H2,1-4H3"	"MHOJKRQFONEPRN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"67883-79-8"	"DTXSID7047562"	"(3Z)-Hex-3-en-1-yl (2E)-2-methylbut-2-enoate"	"EPA_DSSTox"	"CC(=CC)C(=O)OCCC=CCC"	"?"	"InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3"	"JNWQKXUWZWKUAY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"6789-80-6"	"DTXSID30884335"	"3-Hexenal, (3Z)-"	"EPA_DSSTox"	"CCC=CCC=O"	"?"	"InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3"	"GXANMBISFKBPEX-UHFFFAOYSA-N"	FALSE	FALSE	1560	3	4
"6789-88-4"	"DTXSID9025403"	"Hexyl benzoate"	"EPA_DSSTox"	"CCCCCCOC(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3"	"UUGLJVMIFJNVFH-UHFFFAOYSA-N"	FALSE	TRUE	12300	4	5
"679-36-7"	"DTXSID20218120"	"Phosphonic acid, (1-(difluoromethyl)-2,2-difluoro-1-hydroxyethyl)-, diethyl ester"	"EPA_DSSTox"	"CCOP(=O)(OCC)C(O)(C(F)F)C(F)F"	"?"	"InChI=1S/C7H13F4O4P/c1-3-14-16(13,15-4-2)7(12,5(8)9)6(10)11/h5-6,12H,3-4H2,1-2H3"	"ZCNCEMNGTZGKLF-UHFFFAOYSA-N"	TRUE	FALSE	3.4	1	1
"6790-58-5"	"DTXSID0047113"	"(-)-Ambroxide"	"EPA_DSSTox"	"CC1(C)CCCC2(C)C1CCC1(C)OCCC12"	"?"	"InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3"	"YPZUZOLGGMJZJO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"6794-94-1"	NA	NA	"Public_CrossChecked"	"CCN1CN1CC"	"?"	"InChI=1S/C5H12N2/c1-3-6-5-7(6)4-2/h3-5H2,1-2H3"	"PWDZFUBSTVFGCD-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"67990-05-0"	"DTXSID0070942"	"2-Naphthalenecarboxamide, N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]-"	"EPA_DSSTox"	"COC1C=CC(=CC=1N=NC1=C(O)C(=CC2C=CC=CC=21)C(=O)NC1C=C(Cl)C=CC=1OC)C(=O)NC1C=CC=CC=1"	"?"	"InChI=1S/C32H25ClN4O5/c1-41-27-15-13-21(33)18-25(27)35-32(40)24-16-19-8-6-7-11-23(19)29(30(24)38)37-36-26-17-20(12-14-28(26)42-2)31(39)34-22-9-4-3-5-10-22/h3-18,38H,1-2H3,(H,34,39)(H,35,40)"	"IBHCUBFBUGYOHF-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"68-12-2"	"DTXSID6020515"	"N,N-Dimethylformamide"	"EPA_DSSTox"	"CN(C)C=O"	"?"	"InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3"	"ZMXDDKWLCZADIW-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"68-41-7"	"DTXSID8022870"	"Cycloserine"	"EPA_DSSTox"	"NC1CONC1=O"	"?"	"InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)"	"DYDCUQKUCUHJBH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"68-88-2"	"DTXSID8023137"	"Hydroxyzine"	"EPA_DSSTox"	"OCCOCCN1CCN(CC1)C(C1C=CC=CC=1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2"	"ZQDWXGKKHFNSQK-UHFFFAOYSA-N"	FALSE	FALSE	840	3	4
"68-89-3"	"DTXSID8020543"	"Dipyrone"	"EPA_DSSTox"	"CC1=C(C(=O)N(C2C=CC=CC=2)N1C)N(C)CS(O)(=O)=O"	"[Na+]"	"InChI=1S/C13H17N3O4S/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,18,19,20)"	"LVWZTYCIRDMTEY-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"68-91-7"	"DTXSID3023710"	"Trimethaphan"	"EPA_DSSTox"	"O=C1N(CC2C=CC=CC=2)C2C(C[S+]3CCCC32)N1CC1C=CC=CC=1"	"[O-]S(=O)(=O)CC12CCC(CC1=O)C2(C)C"	"InChI=1S/C22H25N2OS/c25-22-23(14-17-8-3-1-4-9-17)19-16-26-13-7-12-20(26)21(19)24(22)15-18-10-5-2-6-11-18/h1-6,8-11,19-21H,7,12-16H2/q+1"	"CHQOEHPMXSHGCL-UHFFFAOYSA-N"	FALSE	TRUE	2494	3	5
"68015-78-1"	"DTXSID1070981"	"Zincate(1-), [N,N-bis[(carboxy-.kappa.O)methyl]glycinato(3-)-.kappa.N,.kappa.O]-, ammonium, (T-4)-"	"EPA_DSSTox"	"OC(=O)CN(CC(O)=O)CC(O)=O"	"[Zn+2].N"	"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"	FALSE	TRUE	4860	3	5
"68037-57-0"	"DTXSID0052384"	"2-Ethylhexyl trihydrogen orthosilicate"	"EPA_DSSTox"	"CCCCC(CO[Si](O)(O)O)CC"	"?"	"InChI=1S/C8H20O4Si/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8-11H,3-7H2,1-2H3"	"JVACZBKPVSKSMS-UHFFFAOYSA-N"	FALSE	TRUE	19700	4	5
"68037-92-3"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCCCCCCCCCCCN"	"?"	"InChI=1S/C19H41N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h2-20H2,1H3"	"INAMEDPXUAWNKL-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"6804-07-5"	"DTXSID6043913"	"Carbadox"	"EPA_DSSTox"	"COC(=O)NN=CC1C=[N+]([O-])C2C=CC=CC=2[N+]=1[O-]"	"?"	"InChI=1S/C11H10N4O4/c1-19-11(16)13-12-6-8-7-14(17)9-4-2-3-5-10(9)15(8)18/h2-7H,1H3,(H,13,16)"	"OVGGLBAWFMIPPY-UHFFFAOYSA-N"	FALSE	FALSE	850	3	4
"68049-83-2"	"DTXSID2034205"	"Azafenidin"	"EPA_DSSTox"	"C#CCOC1=CC(=C(Cl)C=C1Cl)N1N=C2CCCCN2C1=O"	"?"	"InChI=1S/C15H13Cl2N3O2/c1-2-7-22-13-9-12(10(16)8-11(13)17)20-15(21)19-6-4-3-5-14(19)18-20/h1,8-9H,3-7H2"	"XOEMATDHVZOBSG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"68085-85-8"	"DTXSID6023997"	"Cyhalothrin"	"EPA_DSSTox"	"CC1(C)C(C1C=C(Cl)C(F)(F)F)C(=O)OC(C#N)C1C=CC=C(C=1)OC1C=CC=CC=1"	"?"	"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"	"ZXQYGBMAQZUVMI-UHFFFAOYSA-N"	FALSE	FALSE	114	2	3
"68099-86-5"	"DTXSID5040176"	"Bepridil hydrochloride"	"EPA_DSSTox"	"CC(C)COCC(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC1"	"O.Cl"	"InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3"	"UIEATEWHFDRYRU-UHFFFAOYSA-N"	FALSE	TRUE	6850	4	5
"681-06-1"	"DTXSID50218294"	"Phosphonothioic acid, methyl-, O,O-dimethyl ester"	"EPA_DSSTox"	"CP(=S)(OC)OC"	"?"	"InChI=1S/C3H9O2PS/c1-4-6(3,7)5-2/h1-3H3"	"BHFOAIMSKFAWOU-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"68104-02-9"	"DTXSID6073607"	"1,4-Benzenediamine, 2-methoxy-N1,N1,5-trimethyl-, sulfate (1:1)"	"EPA_DSSTox"	"CC1C=C(C(=CC=1N)OC)N(C)C"	"S(=O)(=O)(O)O"	"InChI=1S/C10H16N2O/c1-7-5-9(12(2)3)10(13-4)6-8(7)11/h5-6H,11H2,1-4H3"	"INGHQCVNNYVDFR-UHFFFAOYSA-N"	TRUE	FALSE	29.7	1	2
"68130-53-0"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCCC"	"?"	"InChI=1S/C30H56O6/c1-4-7-10-13-14-15-16-18-20-23-29(32)35-26-27(25-34-28(31)22-19-12-9-6-3)36-30(33)24-21-17-11-8-5-2/h27H,4-26H2,1-3H3"	"QLFNMEAVIXLCHS-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"68133-73-3"	"DTXSID00887176"	"2,6-Octadienoic acid, 3,7-dimethyl-, 3-methylbutyl ester, (2E)-"	"EPA_DSSTox"	"CC(C)=CCCC(C)=CC(=O)OCCC(C)C"	"?"	"InChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)11-15(16)17-10-9-13(3)4/h7,11,13H,6,8-10H2,1-5H3"	"UYYJNVGFCCTXSK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"6814-58-0"	"DTXSID3058454"	"5-Chloro-3-methyl-4-nitro-1H-pyrazole"	"EPA_DSSTox"	"CC1NN=C(Cl)C=1[N+]([O-])=O"	"?"	"InChI=1S/C4H4ClN3O2/c1-2-3(8(9)10)4(5)7-6-2/h1H3,(H,6,7)"	"ZCHRCALASPNJEQ-UHFFFAOYSA-N"	FALSE	FALSE	350	2	4
"68141-17-3"	"DTXSID9052395"	"1,1-Dimethoxy-2-methylundecane"	"EPA_DSSTox"	"CC(CCCCCCCCC)C(OC)OC"	"?"	"InChI=1S/C14H30O2/c1-5-6-7-8-9-10-11-12-13(2)14(15-3)16-4/h13-14H,5-12H2,1-4H3"	"NJXYRZMLVYMJHM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"68153-95-7"	"DTXSID5028401"	"Amines, di-C12-18-alkyl"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCNCCCCCCCCCCCCCCC"	"?"	"InChI=1S/C30H63N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31H,3-30H2,1-2H3"	"YDFFPEXFCAUTSL-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"68155-07-7"	NA	NA	"Public_CrossChecked"	"CCCCCCCC(=O)N(CCO)CCO"	"?"	"InChI=1S/C12H25NO3/c1-2-3-4-5-6-7-12(16)13(8-10-14)9-11-15/h14-15H,2-11H2,1H3"	"FZQAYFWUOCXLKJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"68157-60-8"	"DTXSID1034634"	"Forchlorfenuron"	"EPA_DSSTox"	"O=C(NC1=CC(Cl)=NC=C1)NC1C=CC=CC=1"	"?"	"InChI=1S/C12H10ClN3O/c13-11-8-10(6-7-14-11)16-12(17)15-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16,17)"	"GPXLRLUVLMHHIK-UHFFFAOYSA-N"	FALSE	TRUE	4904	3	5
"68171-33-5"	"DTXSID5071206"	"Isopropyl isostearate"	"EPA_DSSTox"	"CC(C)CCCCCCCCCCCCCCC(=O)OC(C)C"	"?"	"InChI=1S/C21H42O2/c1-19(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-21(22)23-20(3)4/h19-20H,5-18H2,1-4H3"	"NEOZOXKVMDBOSG-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"682-01-9"	"DTXSID9042382"	"Tetrapropyl orthosilicate"	"EPA_DSSTox"	"CCCO[Si](OCCC)(OCCC)OCCC"	"?"	"InChI=1S/C12H28O4Si/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-12H2,1-4H3"	"ZQZCOBSUOFHDEE-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"682-09-7"	"DTXSID7044976"	"2,2-Bis[(prop-2-en-1-yloxy)methyl]butan-1-ol"	"EPA_DSSTox"	"CCC(CO)(COCC=C)COCC=C"	"?"	"InChI=1S/C12H22O3/c1-4-7-14-10-12(6-3,9-13)11-15-8-5-2/h4-5,13H,1-2,6-11H2,3H3"	"BDKDHWOPFRTWPP-UHFFFAOYSA-N"	FALSE	TRUE	6500	4	5
"682-11-1"	"DTXSID5052674"	"2-Allyloxymethyl-2-ethylpropanediol"	"EPA_DSSTox"	"CCC(COCC=C)(CO)CO"	"?"	"InChI=1S/C9H18O3/c1-3-5-12-8-9(4-2,6-10)7-11/h3,10-11H,1,4-8H2,2H3"	"LZDXRPVSAKWYDH-UHFFFAOYSA-N"	FALSE	TRUE	4930	3	5
"68227-46-3"	"DTXSID3028421"	"Propanoic acid, 2-hydroxy-, compd. with 2-ethylhexyl [[3-[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]carbamate (1:1)"	"EPA_DSSTox"	"CC1C=CC(=CC=1NC(=O)OCCN(C)C)NC(=O)OCC(CCCC)CC"	"C(C(O)=O)(O)C"	"InChI=1S/C21H35N3O4/c1-6-8-9-17(7-2)15-28-20(25)22-18-11-10-16(3)19(14-18)23-21(26)27-13-12-24(4)5/h10-11,14,17H,6-9,12-13,15H2,1-5H3,(H,22,25)(H,23,26)"	"YWXZEPDONGEMEM-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"68228-18-2"	"DTXSID8058455"	"Proglinazine-ethyl"	"EPA_DSSTox"	"CCOC(=O)CNC1N=C(Cl)N=C(NC(C)C)N=1"	"?"	"InChI=1S/C10H16ClN5O2/c1-4-18-7(17)5-12-9-14-8(11)15-10(16-9)13-6(2)3/h6H,4-5H2,1-3H3,(H2,12,13,14,15,16)"	"QQADVTSTCZBBOE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"68228-19-3"	"DTXSID40218400"	"Eglinazine [BSI:ISO]"	"EPA_DSSTox"	"CCNC1N=C(NCC(O)=O)N=C(Cl)N=1"	"?"	"InChI=1S/C7H10ClN5O2/c1-2-9-6-11-5(8)12-7(13-6)10-3-4(14)15/h2-3H2,1H3,(H,14,15)(H2,9,10,11,12,13)"	"IAUFMJOLSFEAIJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"68259-05-2"	"DTXSID00887313"	"Benzoic acid, 3,3'-[(2,5-dimethyl-1,4-phenylene)bis[iminocarbonyl(2-hydroxy-3,1-naphthalenediyl)-2,1-diazenediyl]]bis[4-methyl-, 1,1'-bis(2-chloroethyl) ester"	"EPA_DSSTox"	"CC1=CC(NC(=O)C2=CC3C=CC=CC=3C(N=NC3C=C(C=CC=3C)C(=O)OCCCl)=C2O)=C(C)C=C1NC(=O)C1=CC2C=CC=CC=2C(N=NC2C=C(C=CC=2C)C(=O)OCCCl)=C1O"	"?"	"InChI=1S/C50H42Cl2N6O8/c1-27-13-15-33(49(63)65-19-17-51)25-41(27)55-57-43-35-11-7-5-9-31(35)23-37(45(43)59)47(61)53-39-21-30(4)40(22-29(39)3)54-48(62)38-24-32-10-6-8-12-36(32)44(46(38)60)58-56-42-26-34(16-14-28(42)2)50(64)66-20-18-52/h5-16,21-26,59-60H,17-20H2,1-4H3,(H,53,61)(H,54,62)"	"VISHVOOFNOAMFD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"68274-48-6"	"DTXSID20218423"	"6-Quinazolinecarboxylic acid, 1,4-dihydro-2-(2-ethoxy-3-methoxyphenyl)-4-oxo-"	"EPA_DSSTox"	"COC1C=CC=C(C2NC3=CC=C(C=C3C(=O)N=2)C(O)=O)C=1OCC"	"?"	"InChI=1S/C18H16N2O5/c1-3-25-15-11(5-4-6-14(15)24-2)16-19-13-8-7-10(18(22)23)9-12(13)17(21)20-16/h4-9H,3H2,1-2H3,(H,22,23)(H,19,20,21)"	"PEVAIZIFXLHRJX-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"68289-21-4"	"DTXSID10218437"	"as-Triazin-3(2H)-one, 5,6-bis(p-(diethylamino)phenyl)-2-methyl-"	"EPA_DSSTox"	"CN1N=C(C(=NC1=O)C1=CC=C(C=C1)N(CC)CC)C1C=CC(=CC=1)N(CC)CC"	"?"	"InChI=1S/C24H31N5O/c1-6-28(7-2)20-14-10-18(11-15-20)22-23(26-27(5)24(30)25-22)19-12-16-21(17-13-19)29(8-3)9-4/h10-17H,6-9H2,1-5H3"	"RIMUBBCWUREKBO-UHFFFAOYSA-N"	FALSE	FALSE	650	3	4
"68291-97-4"	"DTXSID9046023"	"Zonisamide"	"EPA_DSSTox"	"NS(=O)(=O)CC1=NOC2C=CC=CC=21"	"?"	"InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)"	"UBQNRHZMVUUOMG-UHFFFAOYSA-N"	FALSE	FALSE	1992	3	4
"683-10-3"	"DTXSID6041266"	"1-Dodecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt"	"EPA_DSSTox"	"CCCCCCCCCCCC[N+](C)(C)CC(O)=O"	"?"	"InChI=1S/C16H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16(18)19/h4-15H2,1-3H3/p+1"	"DVEKCXOJTLDBFE-UHFFFAOYSA-O"	FALSE	FALSE	71	2	3
"683-57-8"	"DTXSID3058456"	"Bromoacetamide"	"EPA_DSSTox"	"NC(=O)CBr"	"?"	"InChI=1S/C2H4BrNO/c3-1-2(4)5/h1H2,(H2,4,5)"	"JUIKUQOUMZUFQT-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"68334-67-8"	"DTXSID6052407"	"1,1,2,3,4-Pentachloro-4-(isopropoxy)buta-1,3-diene"	"EPA_DSSTox"	"CC(C)OC(Cl)=C(Cl)C(Cl)=C(Cl)Cl"	"?"	"InChI=1S/C7H7Cl5O/c1-3(2)13-7(12)5(9)4(8)6(10)11/h3H,1-2H3"	"NPPXYBKPTKBFMG-UHFFFAOYSA-N"	FALSE	FALSE	1210	3	4
"68359-37-5"	"DTXSID5035957"	"Cyfluthrin"	"EPA_DSSTox"	"CC1(C)C(C1C=C(Cl)Cl)C(=O)OC(C#N)C1C=CC(F)=C(C=1)OC1C=CC=CC=1"	"?"	"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"	FALSE	FALSE	270	2	3
"6837-24-7"	"DTXSID7044716"	"1-Cyclohexylpyrrolidin-2-one"	"EPA_DSSTox"	"O=C1CCCN1C1CCCCC1"	"?"	"InChI=1S/C10H17NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h9H,1-8H2"	"PZYDAVFRVJXFHS-UHFFFAOYSA-N"	FALSE	FALSE	370	2	4
"6837-93-0"	"DTXSID00218502"	"2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-, p-toluenesulfonate (ester)"	"EPA_DSSTox"	"CC1C=CC(=CC=1)S(=O)(=O)OC1=CC(=CC2=CC(=CC(N)=C21)S(O)(=O)=O)S(O)(=O)=O"	"?"	"InChI=1S/C17H15NO9S3/c1-10-2-4-12(5-3-10)30(25,26)27-16-9-14(29(22,23)24)7-11-6-13(28(19,20)21)8-15(18)17(11)16/h2-9H,18H2,1H3,(H,19,20,21)(H,22,23,24)"	"ZIQWUYNDHGXLIN-UHFFFAOYSA-N"	FALSE	TRUE	11500	4	5
"68377-91-3"	"DTXSID1046849"	"Arotinolol hydrochloride"	"EPA_DSSTox"	"CC(C)(C)NCC(O)CSC1=NC(=CS1)C1=CC=C(S1)C(N)=O"	"Cl"	"InChI=1S/C15H21N3O2S3/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20)"	"BHIAIPWSVYSKJS-UHFFFAOYSA-N"	FALSE	FALSE	86	2	3
"6838-93-3"	"DTXSID20218509"	"Phosphonic acid, methyl-, isopropyl ester, sodium salt"	"EPA_DSSTox"	"CC(C)OP(C)(O)=O"	"[Na+]"	"InChI=1S/C4H11O3P/c1-4(2)7-8(3,5)6/h4H,1-3H3,(H,5,6)"	"GHZKGHQGPXBWSN-UHFFFAOYSA-N"	FALSE	TRUE	6070	4	5
"68391-05-9"	NA	NA	"Public_CrossChecked"	"C[N+](C)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC"	"[Cl-]"	"InChI=1S/C30H64N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-30H2,1-4H3/q+1"	"CJBMLKNLJXFFGD-UHFFFAOYSA-N"	FALSE	FALSE	930	3	4
"684-93-5"	"DTXSID4021006"	"N-Nitroso-N-methylurea"	"EPA_DSSTox"	"CN(N=O)C(N)=O"	"?"	"InChI=1S/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6)"	"ZRKWMRDKSOPRRS-UHFFFAOYSA-N"	FALSE	FALSE	110	2	3
"68401-82-1"	"DTXSID5046643"	"Ceftizoxime sodium"	"EPA_DSSTox"	"CON=C(C1=CSC(N)=N1)C(=O)NC1C2SCC=C(C(O)=O)N2C1=O"	"[Na+]"	"InChI=1S/C13H13N5O5S2/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22)"	"NNULBSISHYWZJU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"68411-46-1"	"DTXSID3028477"	"Benzenamine, N-phenyl-, reaction products with 2,4,4-trimethylpentene"	"EPA_DSSTox"	"CC(C)(CC1C=CC(=CC=1)NC1C=CC(CC(C)(C)C(C)=C)=CC=1)C(C)=C"	"?"	"InChI=1S/C26H35N/c1-19(2)25(5,6)17-21-9-13-23(14-10-21)27-24-15-11-22(12-16-24)18-26(7,8)20(3)4/h9-16,27H,1,3,17-18H2,2,4-8H3"	"CZKPJBMZBLKZJW-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"6842-15-5"	"DTXSID6027634"	"1-Propene, tetramer"	"EPA_DSSTox"	"CC=CCC=CCC=CCC=C"	"?"	"InChI=1S/C12H18/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4,6-7,9-10,12H,1,5,8,11H2,2H3"	"RCRMTWBZRLYXQC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"6842-34-8"	NA	NA	"Public_CrossChecked"	"CNC(=O)OC1C=CC=CC=1C1OCCS1"	"?"	"InChI=1S/C11H13NO3S/c1-12-11(13)15-9-5-3-2-4-8(9)10-14-6-7-16-10/h2-5,10H,6-7H2,1H3,(H,12,13)"	"HRKDQJLXVNMUPN-UHFFFAOYSA-N"	FALSE	FALSE	56	2	3
"68424-85-1"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCCCCCC[N+](C)(C)CC1C=CC=CC=1"	"[Cl-]"	"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"	FALSE	FALSE	426	2	4
"68425-16-1"	"DTXSID6028494"	"Polysulfides, di-tert-nonyl"	"EPA_DSSTox"	"CC(C)(C)C(C)C(C)(C)SSSC(C)(C)C(C)C(C)(C)C"	"?"	"InChI=1S/C18H38S3/c1-13(15(3,4)5)17(9,10)19-21-20-18(11,12)14(2)16(6,7)8/h13-14H,1-12H3"	"AVVJXRYTKMKDQS-UHFFFAOYSA-N"	FALSE	TRUE	19550	4	5
"6843-66-9"	"DTXSID2044717"	"Dimethoxy(diphenyl)silane"	"EPA_DSSTox"	"CO[Si](OC)(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C14H16O2Si/c1-15-17(16-2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3"	"AHUXYBVKTIBBJW-UHFFFAOYSA-N"	FALSE	TRUE	2613	3	5
"68439-49-6"	"DTXSID0041939"	"Alcohols, C16-18, ethoxylated"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCOCC"	"?"	"InChI=1S/C19H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-4-2/h3-19H2,1-2H3"	"AUZOGIIAYCMVLO-UHFFFAOYSA-N"	FALSE	FALSE	1260	3	4
"68439-50-9"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO"	"?"	"InChI=1S/C58H118O24/c1-2-3-4-5-6-7-8-9-10-11-13-60-15-17-62-19-21-64-23-25-66-27-29-68-31-33-70-35-37-72-39-41-74-43-45-76-47-49-78-51-53-80-55-57-82-58-56-81-54-52-79-50-48-77-46-44-75-42-40-73-38-36-71-34-32-69-30-28-67-26-24-65-22-20-63-18-16-61-14-12-59/h59H,2-58H2,1H3"	"IEQAICDLOKRSRL-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"6846-35-1"	"DTXSID90218576"	"1,2,4-Dithiazolidine-3-thione, 5-imino-"	"EPA_DSSTox"	"NC1=NC(=S)SS1"	"?"	"InChI=1S/C2H2N2S3/c3-1-4-2(5)7-6-1/h(H2,3,4,5)"	"YWZHEXZIISFIDA-UHFFFAOYSA-N"	FALSE	TRUE	3050	3	5
"6846-50-0"	"DTXSID1027635"	"2,2,4-Trimethyl-1,3-pentanediol diisobutyrate"	"EPA_DSSTox"	"CC(C)C(=O)OC(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"	FALSE	TRUE	NA	3	5
"68480-17-1"	"DTXSID80867698"	"3-Pentanone, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-"	"EPA_DSSTox"	"CC1=CCCC(C)(C)C1CCC(=O)CC"	"?"	"InChI=1S/C14H24O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7,13H,5-6,8-10H2,1-4H3"	"KUZMAEUMYSXKOU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"68483-33-0"	"DTXSID00218582"	"Apyramide"	"EPA_DSSTox"	"COC1C=C2C(CC(=O)OC3C=CC(=CC=3)NC(C)=O)=C(C)N(C2=CC=1)C(=O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C27H23ClN2O5/c1-16-23(15-26(32)35-21-10-8-20(9-11-21)29-17(2)31)24-14-22(34-3)12-13-25(24)30(16)27(33)18-4-6-19(28)7-5-18/h4-14H,15H2,1-3H3,(H,29,31)"	"KWUFTKVMXUYTBF-UHFFFAOYSA-N"	FALSE	FALSE	887	3	4
"68505-69-1"	"DTXSID8058160"	"Benfuresate"	"EPA_DSSTox"	"CCS(=O)(=O)OC1C=C2C(=CC=1)OCC2(C)C"	"?"	"InChI=1S/C12H16O4S/c1-4-17(13,14)16-9-5-6-11-10(7-9)12(2,3)8-15-11/h5-7H,4,8H2,1-3H3"	"QGQSRQPXXMTJCM-UHFFFAOYSA-N"	FALSE	TRUE	2031	3	5
"68515-73-1"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCCOC1OC(CO)C(O)C(O)C1O"	"?"	"InChI=1S/C16H32O6/c1-2-3-4-5-6-7-8-9-10-21-16-15(20)14(19)13(18)12(11-17)22-16/h12-20H,2-11H2,1H3"	"JDRSMPFHFNXQRB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"68515-88-8"	"DTXSID5028669"	"Pentene, 2,4,4-trimethyl-, sulfurized"	"EPA_DSSTox"	"CC(C)(CC(C)(C)C)SSSSC(C)(CSSSSC(C)(C)CC(C)(C)C)CC(C)(C)C"	"?"	"InChI=1S/C24H50S8/c1-19(2,3)15-22(10,11)26-30-29-25-18-24(14,17-21(7,8)9)28-32-31-27-23(12,13)16-20(4,5)6/h15-18H2,1-14H3"	"FGXCXSMYCRNENC-UHFFFAOYSA-N"	FALSE	TRUE	3641	3	5
"68516-73-4"	"DTXSID20867657"	"1,4-Benzenedicarboxylic acid, 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis-, 1,1',4,4'-tetramethyl ester"	"EPA_DSSTox"	"CC(=O)C(N=NC1C=C(C=CC=1C(=O)OC)C(=O)OC)C(=O)NC1C=CC(=CC=1)NC(=O)C(N=NC1=CC(=CC=C1C(=O)OC)C(=O)OC)C(C)=O"	"?"	"InChI=1S/C34H32N6O12/c1-17(41)27(39-37-25-15-19(31(45)49-3)7-13-23(25)33(47)51-5)29(43)35-21-9-11-22(12-10-21)36-30(44)28(18(2)42)40-38-26-16-20(32(46)50-4)8-14-24(26)34(48)52-6/h7-16,27-28H,1-6H3,(H,35,43)(H,36,44)"	"BZKXDIAAIOXKAH-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"68526-56-7"	"DTXSID7029455"	"Alkenes, C10-rich C9-11"	"EPA_DSSTox"	"CCC=CCCC=CC=C"	"?"	"InChI=1S/C10H16/c1-3-5-7-9-10-8-6-4-2/h3,5-8H,1,4,9-10H2,2H3"	"FDBJNQUXZRDJHC-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"68526-86-3"	NA	NA	"Public_CrossChecked"	"CC(C)CCCCCCCCCCO"	"?"	"InChI=1S/C13H28O/c1-13(2)11-9-7-5-3-4-6-8-10-12-14/h13-14H,3-12H2,1-2H3"	"XUJLWPFSUCHPQL-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"68555-58-8"	"DTXSID0052415"	"3-Methyl-2-butenyl salicylate"	"EPA_DSSTox"	"CC(C)=COC(=O)C1C=CC=CC=1C"	"?"	"InChI=1S/C12H14O2/c1-9(2)8-14-12(13)11-7-5-4-6-10(11)3/h4-8H,1-3H3"	"BZBDNWAYWNEHTQ-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"68630-75-1"	"DTXSID30218712"	"Buserelin acetate"	"EPA_DSSTox"	"CC(C)CC(NC(=O)C(COC(C)(C)C)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CN=CN1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC"	"OC(=O)C"	"InChI=1S/C60H86N16O13/c1-7-64-57(87)48-15-11-23-76(48)58(88)41(14-10-22-65-59(61)62)69-51(81)42(24-33(2)3)70-56(86)47(31-89-60(4,5)6)75-52(82)43(25-34-16-18-37(78)19-17-34)71-55(85)46(30-77)74-53(83)44(26-35-28-66-39-13-9-8-12-38(35)39)72-54(84)45(27-36-29-63-32-67-36)73-50(80)40-20-21-49(79)68-40/h8-9,12-13,16-19,28-29,32-33,40-48,66,77-78H,7,10-11,14-15,20-27,30-31H2,1-6H3,(H,63,67)(H,64,87)(H,68,79)(H,69,81)(H,70,86)(H,71,85)(H,72,84)(H,73,80)(H,74,83)(H,75,82)(H4,61,62,65)"	"CUWODFFVMXJOKD-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"68649-11-6"	NA	NA	"Public_CrossChecked"	"CC(CCCCCCCC)C(C)CCCCCCCC"	"?"	"InChI=1S/C20H42/c1-5-7-9-11-13-15-17-19(3)20(4)18-16-14-12-10-8-6-2/h19-20H,5-18H2,1-4H3"	"IZWHERZFONYXEC-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"68677-06-5"	NA	NA	"Public_CrossChecked"	"CCN1CCCC1CNS(=O)(=O)C1C=C(Cl)C(N)=CC=1OC"	"?"	"InChI=1S/C14H22ClN3O3S/c1-3-18-6-4-5-10(18)9-17-22(19,20)14-7-11(15)12(16)8-13(14)21-2/h7-8,10,17H,3-6,9,16H2,1-2H3"	"YSWVLPFCGJOQQA-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"68683-20-5"	"DTXSID4071712"	"1,?-Cyclohexadiene-1-ethanol, 4-(1-methylethyl)-, formate"	"EPA_DSSTox"	"CC(C)C1CC=C(CC=1)CCOC=O"	"?"	"InChI=1S/C12H18O2/c1-10(2)12-5-3-11(4-6-12)7-8-14-9-13/h3,6,9-10H,4-5,7-8H2,1-2H3"	"VQKSHQQZPYHYOS-UHFFFAOYSA-N"	FALSE	TRUE	3568	3	5
"68683-30-7"	"DTXSID00887479"	"Butanoic acid, 2-chloro-3-oxo-, 1-phenylethyl ester"	"EPA_DSSTox"	"CC(=O)C(Cl)C(=O)OC(C)C1C=CC=CC=1"	"?"	"InChI=1S/C12H13ClO3/c1-8(14)11(13)12(15)16-9(2)10-6-4-3-5-7-10/h3-7,9,11H,1-2H3"	"VEDDRPPPVHQCQB-UHFFFAOYSA-N"	FALSE	FALSE	880	3	4
"68690-89-1"	NA	NA	"Public_CrossChecked"	"CC(C1C=CC=CC=1)N(C)N=O"	"?"	"InChI=1S/C9H12N2O/c1-8(11(2)10-12)9-6-4-3-5-7-9/h3-8H,1-2H3"	"BSVVIIHAZGTBGJ-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"6873-46-7"	"DTXSID00218860"	"Myristyl thiocyanate"	"EPA_DSSTox"	"CCCCCCCCCCCCCCSC#N"	"?"	"InChI=1S/C15H29NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16/h2-14H2,1H3"	"UQRUIZDJWSNXAB-UHFFFAOYSA-N"	FALSE	TRUE	15000	4	5
"68779-00-0"	"DTXSID30218898"	"Potassium (R(Z))-(4-hydroxyphenyl)((3-methoxy-1-methyl-3-oxoprop-1-enyl)amino)acetate"	"EPA_DSSTox"	"CC(=CC(=O)OC)NC(C1C=CC(O)=CC=1)C(O)=O"	"[K+]"	"InChI=1S/C13H15NO5/c1-8(7-11(16)19-2)14-12(13(17)18)9-3-5-10(15)6-4-9/h3-7,12,14-15H,1-2H3,(H,17,18)"	"VXLHFWHJVCLKPT-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"68784-12-3"	NA	NA	"Public_CrossChecked"	"CC(C)CCCCCCCCCCCCCC=CC1CC(=O)OC1=O"	"?"	"InChI=1S/C22H38O3/c1-19(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20-18-21(23)25-22(20)24/h15,17,19-20H,3-14,16,18H2,1-2H3"	"GPFVWKXABQQNEM-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"68786-66-3"	"DTXSID7043952"	"Triclabendazole"	"EPA_DSSTox"	"CSC1NC2C=C(OC3C=CC=C(Cl)C=3Cl)C(Cl)=CC=2N=1"	"?"	"InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)"	"NQPDXQQQCQDHHW-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"68787-95-1"	"DTXSID00218901"	"5H-Dibenz(b,e)azepine-2-acetic acid, 6,11-dihydro-5-methyl-11-oxo-"	"EPA_DSSTox"	"CN1CC2=CC=CC=C2C(=O)C2=CC(CC(O)=O)=CC=C12"	"?"	"InChI=1S/C17H15NO3/c1-18-10-12-4-2-3-5-13(12)17(21)14-8-11(9-16(19)20)6-7-15(14)18/h2-8H,9-10H2,1H3,(H,19,20)"	"KJYXUANTSFDCOA-UHFFFAOYSA-N"	FALSE	FALSE	840	3	4
"68788-33-0"	"DTXSID60218902"	"5H-Dibenz(b,e)azepine-2-acetic acid, 6,11-dihydro-11-oxo-"	"EPA_DSSTox"	"OC(=O)CC1C=C2C(=CC=1)NCC1=CC=CC=C1C2=O"	"?"	"InChI=1S/C16H13NO3/c18-15(19)8-10-5-6-14-13(7-10)16(20)12-4-2-1-3-11(12)9-17-14/h1-7,17H,8-9H2,(H,18,19)"	"OHHCOHAULIXOSY-UHFFFAOYSA-N"	FALSE	FALSE	810	3	4
"68789-89-9"	NA	NA	"Public_CrossChecked"	"CN(SSN(C)C(=O)ON=C1CSCCS1)C(=O)ON=C1CSCCS1"	"?"	"InChI=1S/C12H18N4O4S6/c1-15(11(17)19-13-9-7-21-3-5-23-9)25-26-16(2)12(18)20-14-10-8-22-4-6-24-10/h3-8H2,1-2H3"	"AVLQRPRPZDLABR-UHFFFAOYSA-N"	FALSE	FALSE	160	2	3
"68789-90-2"	NA	NA	"Public_CrossChecked"	"CN(SSN(C)C(=O)ON=C(C)SC)C(=O)ON=C(C)SC"	"?"	"InChI=1S/C10H18N4O4S4/c1-7(19-5)11-17-9(15)13(3)21-22-14(4)10(16)18-12-8(2)20-6/h1-6H3"	"FNYBYRIYRLOALN-UHFFFAOYSA-N"	FALSE	FALSE	190	2	3
"68789-93-5"	NA	NA	"Public_CrossChecked"	"CN(SSN(C)C(=O)ON=C(C)SCCC#N)C(=O)ON=C(C)SCCC#N"	"?"	"InChI=1S/C14H20N6O4S4/c1-11(25-9-5-7-15)17-23-13(21)19(3)27-28-20(4)14(22)24-18-12(2)26-10-6-8-16/h5-6,9-10H2,1-4H3"	"DJAOCULFXRMRKX-UHFFFAOYSA-N"	FALSE	FALSE	80	2	3
"6879-02-3"	NA	NA	"Public_CrossChecked"	"COC1C=CC2=C(C=1OC)C1C=C(OC)C(=CC=1C1CC3CCCN3CC=12)OC"	"?"	"InChI=1S/C24H27NO4/c1-26-20-8-7-15-19-13-25-9-5-6-14(25)10-16(19)17-11-21(27-2)22(28-3)12-18(17)23(15)24(20)29-4/h7-8,11-12,14H,5-6,9-10,13H2,1-4H3"	"YFEPHJVWLFGWKH-UHFFFAOYSA-N"	FALSE	FALSE	65	2	3
"688-62-0"	"DTXSID90218910"	"Phosphorotrithious acid, triethyl ester"	"EPA_DSSTox"	"CCSP(SCC)SCC"	"?"	"InChI=1S/C6H15PS3/c1-4-8-7(9-5-2)10-6-3/h4-6H2,1-3H3"	"MPXYHFPQDPRCNM-UHFFFAOYSA-N"	FALSE	FALSE	355	2	4
"688-78-8"	"DTXSID50218911"	"1,1,3-Tris(2-chloroethoxy)propane"	"EPA_DSSTox"	"ClCCOCCC(OCCCl)OCCCl"	"?"	"InChI=1S/C9H17Cl3O3/c10-2-6-13-5-1-9(14-7-3-11)15-8-4-12/h9H,1-8H2"	"QHRNWCLHOBWELK-UHFFFAOYSA-N"	FALSE	FALSE	710	3	4
"688-84-6"	"DTXSID3027293"	"2-Ethylhexyl methacrylate"	"EPA_DSSTox"	"CC(=C)C(=O)OCC(CCCC)CC"	"?"	"InChI=1S/C12H22O2/c1-5-7-8-11(6-2)9-14-12(13)10(3)4/h11H,3,5-9H2,1-2,4H3"	"WDQMWEYDKDCEHT-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"68814-95-9"	"DTXSID9029489"	"Amines, tri-C8-10-alkyl"	"EPA_DSSTox"	"CCCCCCCCCN(CCCCCCCCC)CCCCCCCCC"	"?"	"InChI=1S/C27H57N/c1-4-7-10-13-16-19-22-25-28(26-23-20-17-14-11-8-5-2)27-24-21-18-15-12-9-6-3/h4-27H2,1-3H3"	"ZQJAONQEOXOVNR-UHFFFAOYSA-N"	FALSE	TRUE	5600	4	5
"6884-59-9"	"DTXSID00218941"	"Carbamic acid, ester with salicylaldehyde dimethyl acetal"	"EPA_DSSTox"	"CNC(=O)OC1=CC=CC=C1C(OC)OC"	"?"	"InChI=1S/C11H15NO4/c1-12-11(13)16-9-7-5-4-6-8(9)10(14-2)15-3/h4-7,10H,1-3H3,(H,12,13)"	"UGTQVEQBTKIHOA-UHFFFAOYSA-N"	FALSE	FALSE	160	2	3
"68844-77-9"	"DTXSID9020110"	"Astemizole"	"EPA_DSSTox"	"COC1=CC=C(CCN2CCC(CC2)NC2=NC3C=CC=CC=3N2CC2C=CC(F)=CC=2)C=C1"	"?"	"InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)"	"GXDALQBWZGODGZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"68855-24-3"	"DTXSID0028824"	"Benzene, C14-30-alkyl derivs."	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCCCCCCC1C=CC=CC=1"	"?"	"InChI=1S/C28H50/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-28-26-23-21-24-27-28/h21,23-24,26-27H,2-20,22,25H2,1H3"	"MEYUFRQDILUMEC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"68857-95-4"	NA	NA	"Public_CrossChecked"	"CC(C)C1C(C)C(C)(C)C2=CC(C)=C(C=C21)C(C)=O"	"?"	"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"	FALSE	TRUE	2220	3	5
"68880-55-7"	NA	NA	"Public_CrossChecked"	"COC1C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(C2O)N(C)C)C(CC=O)CC(C)C(C=CC=CCC(C)OC(=O)CC1O)OC1CCC(C(C)O1)N(C)C |c:37,39|"	"?"	"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"	FALSE	TRUE	4650	3	5
"689-09-8"	"DTXSID70218973"	"Propanoic acid, 3-amino-3-thioxo-, methyl ester"	"EPA_DSSTox"	"COC(=O)CC(N)=S"	"?"	"InChI=1S/C4H7NO2S/c1-7-4(6)2-3(5)8/h2H2,1H3,(H2,5,8)"	"DVXKSWIBOSXJRV-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"68908-87-2"	"DTXSID9052428"	"1,3-Dimethylbenzene, benzylated"	"EPA_DSSTox"	"CC1=CC(CC2C=CC=CC=2)=CC(C)=C1"	"?"	"InChI=1S/C15H16/c1-12-8-13(2)10-15(9-12)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3"	"RZCMUIOJBYCKPG-UHFFFAOYSA-N"	FALSE	TRUE	2333	3	5
"68917-50-0"	NA	NA	"Public_CrossChecked"	"COC(=O)C1C=CC=CC=1O"	"?"	"InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3"	"OSWPMRLSEDHDFF-UHFFFAOYSA-N"	FALSE	FALSE	1700	3	4
"68922-23-6"	"DTXSID8071851"	"Tris[2,4-di-tert-butyl)-5-methylphenyl] phosphite"	"EPA_DSSTox"	"CC(C)(C)C1=CC(=C(C=C1C)OP(OC1C=C(C)C(=CC=1C(C)(C)C)C(C)(C)C)OC1C=C(C)C(=CC=1C(C)(C)C)C(C)(C)C)C(C)(C)C"	"?"	"InChI=1S/C45H69O3P/c1-28-22-37(34(43(13,14)15)25-31(28)40(4,5)6)46-49(47-38-23-29(2)32(41(7,8)9)26-35(38)44(16,17)18)48-39-24-30(3)33(42(10,11)12)27-36(39)45(19,20)21/h22-27H,1-21H3"	"LTXMJHWSYUANCC-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"68937-40-6"	NA	NA	"Public_CrossChecked"	"CC(C)CC1C=CC(=CC=1)OP(=O)(OC1C=CC(CC(C)C)=CC=1)OC1C=CC(CC(C)C)=CC=1"	"?"	"InChI=1S/C30H39O4P/c1-22(2)19-25-7-13-28(14-8-25)32-35(31,33-29-15-9-26(10-16-29)20-23(3)4)34-30-17-11-27(12-18-30)21-24(5)6/h7-18,22-24H,19-21H2,1-6H3"	"LWYPBQJBRGDLOI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"68938-07-8"	"DTXSID3028895"	"Fatty acids, C9-13-neo-"	"EPA_DSSTox"	"CC(C)(C)CCCCCCC(O)=O"	"?"	"InChI=1S/C11H22O2/c1-11(2,3)9-7-5-4-6-8-10(12)13/h4-9H2,1-3H3,(H,12,13)"	"PCVAKFVNCSPYNN-UHFFFAOYSA-N"	FALSE	TRUE	2066	3	5
"68955-19-1"	"DTXSID9028918"	"Sulfuric acid, mono-C12-18-alkyl esters, sodium salts"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCOS(O)(=O)=O"	"[Na+]"	"InChI=1S/C15H32O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-20(16,17)18/h2-15H2,1H3,(H,16,17,18)"	"COUMKTRLCGRAAA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"68955-20-4"	"DTXSID8029523"	"Sulfuric acid, mono-C16-18-alkyl esters, sodium salts"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCOS(O)(=O)=O"	"[Na+]"	"InChI=1S/C17H36O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-22(18,19)20/h2-17H2,1H3,(H,18,19,20)"	"KGIBGHABTNQVJX-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"68955-53-3"	"DTXSID8028927"	"Amines, C12-14-tert-alkyl"	"EPA_DSSTox"	"CC(C)(C)CCCCCCCCCN"	"?"	"InChI=1S/C13H29N/c1-13(2,3)11-9-7-5-4-6-8-10-12-14/h4-12,14H2,1-3H3"	"XWBTWKLPOWCMEX-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"68987-29-1"	"DTXSID8029527"	"Potassium stearyl phosphate"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCCOP(O)(O)=O"	"[K+]"	"InChI=1S/C18H39O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h2-18H2,1H3,(H2,19,20,21)"	"UHGIMQLJWRAPLT-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"69-05-6"	"DTXSID6025985"	"Quinacrine dihydrochloride"	"EPA_DSSTox"	"COC1=CC2C(NC(C)CCCN(CC)CC)=C3C=CC(Cl)=CC3=NC=2C=C1"	"Cl.Cl"	"InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)"	"GPKJTRJOBQGKQK-UHFFFAOYSA-N"	FALSE	FALSE	660	3	4
"69-27-2"	"DTXSID7046332"	"Chlorisondamine chloride"	"EPA_DSSTox"	"C[N+](C)(C)CC[N+]1(C)CC2=C(C1)C(Cl)=C(Cl)C(Cl)=C2Cl"	"[Cl-].[Cl-]"	"InChI=1S/C14H20Cl4N2/c1-19(2,3)5-6-20(4)7-9-10(8-20)12(16)14(18)13(17)11(9)15/h5-8H2,1-4H3/q+2"	"IXWDUZLHWJKVPX-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"69-33-0"	NA	NA	"Public_CrossChecked"	"NC1N=CN=C2C=1C=CN2C1OC(CO)C(O)C1O"	"?"	"InChI=1S/C11H14N4O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2,(H2,12,13,14)"	"HDZZVAMISRMYHH-UHFFFAOYSA-N"	TRUE	FALSE	16	1	2
"69-43-2"	"DTXSID5045544"	"Prenylamine lactate"	"EPA_DSSTox"	"CC(CC1C=CC=CC=1)NCCC(C1C=CC=CC=1)C1C=CC=CC=1"	"C[C@H](O)C(O)=O"	"InChI=1S/C24H27N/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3"	"IFFPICMESYHZPQ-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"69-53-4"	"DTXSID4022602"	"Ampicillin"	"EPA_DSSTox"	"CC1(C)SC2C(NC(=O)C(N)C3C=CC=CC=3)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"	FALSE	TRUE	10000	4	5
"69-57-8"	"DTXSID6040581"	"Penicillin G sodium"	"EPA_DSSTox"	"CC1(C)SC2C(NC(=O)CC3C=CC=CC=3)C(=O)N2C1C(O)=O"	"[Na+]"	"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"	FALSE	TRUE	6916	4	5
"69-65-8"	"DTXSID1023235"	"D-Mannitol"	"EPA_DSSTox"	"OC(CO)C(O)C(O)C(O)CO"	"?"	"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2"	"FBPFZTCFMRRESA-UHFFFAOYSA-N"	FALSE	TRUE	13500	4	5
"69-79-4"	"DTXSID1023233"	"Maltose"	"EPA_DSSTox"	"OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O"	"?"	"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2"	"GUBGYTABKSRVRQ-UHFFFAOYSA-N"	FALSE	TRUE	34800	4	5
"69-81-8"	"DTXSID3048310"	"Carbazochrome"	"EPA_DSSTox"	"CN1CC(O)C2=CC(=NNC(N)=O)C(=O)C=C12"	"?"	"InChI=1S/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14/h2-3,9,16H,4H2,1H3,(H3,11,13,17)"	"XSXCZNVKFKNLPR-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"690-49-3"	NA	NA	"Public_CrossChecked"	"COP(=O)(OP(=O)(OC)OC)OC"	"?"	"InChI=1S/C4H12O7P2/c1-7-12(5,8-2)11-13(6,9-3)10-4/h1-4H3"	"AXDCOWAMLFDLEP-UHFFFAOYSA-N"	TRUE	FALSE	1.7	1	1
"6900-06-7"	"DTXSID90219043"	"Adipic acid, di-2-propynyl ester"	"EPA_DSSTox"	"C#CCOC(=O)CCCCC(=O)OCC#C"	"?"	"InChI=1S/C12H14O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h1-2H,5-10H2"	"UUKXRCZQOHIIPD-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"69002-85-3"	"DTXSID10219060"	"3'-Hydroxydiclofenac"	"EPA_DSSTox"	"OC1C=CC(Cl)=C(NC2=CC=CC=C2CC(O)=O)C=1Cl"	"?"	"InChI=1S/C14H11Cl2NO3/c15-9-5-6-11(18)13(16)14(9)17-10-4-2-1-3-8(10)7-12(19)20/h1-6,17-18H,7H2,(H,19,20)"	"HYPJZSYXUWYJDG-UHFFFAOYSA-N"	FALSE	FALSE	774	3	4
"6903-79-3"	"DTXSID50219100"	"Creatinolfosfate"	"EPA_DSSTox"	"[H]/N=C(\N)/N(C)CCOP(O)(O)=O"	"?"	"InChI=1S/C4H12N3O4P/c1-7(4(5)6)2-3-11-12(8,9)10/h2-3H2,1H3,(H3,5,6)(H2,8,9,10)"	"FOIPWTMKYXWFGC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"69047-39-8"	"DTXSID80219113"	"Binifibrate"	"EPA_DSSTox"	"CC(C)(OC1C=CC(Cl)=CC=1)C(=O)OC(COC(=O)C1=CN=CC=C1)COC(=O)C1=CN=CC=C1"	"?"	"InChI=1S/C25H23ClN2O7/c1-25(2,35-20-9-7-19(26)8-10-20)24(31)34-21(15-32-22(29)17-5-3-11-27-13-17)16-33-23(30)18-6-4-12-28-14-18/h3-14,21H,15-16H2,1-2H3"	"BFYRHDVAEJIBON-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"69056-38-8"	"DTXSID0040620"	"(6R)-Tetrahydrobiopterin dihydrochloride"	"EPA_DSSTox"	"CC(O)C(O)C1CNC2NC(N)=NC(=O)C=2N1"	"Cl.Cl"	"InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)"	"FNKQXYHWGSIFBK-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"69094-18-4"	"DTXSID0073613"	"Ethanol, 2,2-dibromo-2-nitro-"	"EPA_DSSTox"	"[O-][N+](=O)C(Br)(Br)CO"	"?"	"InChI=1S/C2H3Br2NO3/c3-2(4,1-6)5(7)8/h6H,1H2"	"FMNZAHDAULEOSO-UHFFFAOYSA-N"	TRUE	FALSE	29.1	1	2
"69103-20-4"	"DTXSID3052436"	"2,2-Dimethyl-3-(3-methylpenta-2,4-dienyl)oxirane"	"EPA_DSSTox"	"CC(C=C)=CCC1OC1(C)C"	"?"	"InChI=1S/C10H16O/c1-5-8(2)6-7-9-10(3,4)11-9/h5-6,9H,1,7H2,2-4H3"	"LIMXJCIGROLRED-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"69112-21-6"	NA	NA	"Public_CrossChecked"	"CCC=CCC=O"	"?"	"InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3"	"GXANMBISFKBPEX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"6915-15-7"	"DTXSID0027640"	"Malic acid"	"EPA_DSSTox"	"OC(=O)C(O)CC(O)=O"	"?"	"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)"	"BJEPYKJPYRNKOW-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"6915-18-0"	"DTXSID8048157"	"But-2-enedioic acid"	"EPA_DSSTox"	"OC(=O)C=CC(O)=O"	"?"	"InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)"	"VZCYOOQTPOCHFL-UHFFFAOYSA-N"	FALSE	TRUE	9300	4	5
"69184-17-4"	NA	NA	"Public_CrossChecked"	"COC(=O)COC1=NC(F)=C(Cl)C(N)=C1Cl"	"?"	"InChI=1S/C8H7Cl2FN2O3/c1-15-3(14)2-16-8-5(10)6(12)4(9)7(11)13-8/h2H2,1H3,(H2,12,13)"	"GIIKFBXVGYJLEK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"692-45-5"	"DTXSID20219233"	"Formic acid, vinyl ester"	"EPA_DSSTox"	"C=COC=O"	"?"	"InChI=1S/C3H4O2/c1-2-5-3-4/h2-3H,1H2"	"GFJVXXWOPWLRNU-UHFFFAOYSA-N"	FALSE	TRUE	2820	3	5
"69226-39-7"	"DTXSID10219267"	"o-Toluenesulfonamide, 4-amino-N-(2-hydroxyethyl)-"	"EPA_DSSTox"	"CC1=CC(N)=CC=C1S(=O)(=O)NCCO"	"?"	"InChI=1S/C9H14N2O3S/c1-7-6-8(10)2-3-9(7)15(13,14)11-4-5-12/h2-3,6,11-12H,4-5,10H2,1H3"	"XZKDKBLWOVZGFR-UHFFFAOYSA-N"	FALSE	TRUE	8900	4	5
"69226-40-0"	"DTXSID70219268"	"o-Toluenesulfonamide, N-(2-hydroxyethyl)-4-nitro-"	"EPA_DSSTox"	"CC1=CC(=CC=C1S(=O)(=O)NCCO)[N+]([O-])=O"	"?"	"InChI=1S/C9H12N2O5S/c1-7-6-8(11(13)14)2-3-9(7)17(15,16)10-4-5-12/h2-3,6,10,12H,4-5H2,1H3"	"SUFXZUYEYHQFSS-UHFFFAOYSA-N"	FALSE	TRUE	4470	3	5
"69226-51-3"	"DTXSID20219273"	"Sulfamic acid, 2,2,2-trichloroethyl ester"	"EPA_DSSTox"	"NS(=O)(=O)OCC(Cl)(Cl)Cl"	"?"	"InChI=1S/C2H4Cl3NO3S/c3-2(4,5)1-9-10(6,7)8/h1H2,(H2,6,7,8)"	"VOKONKGVTXWZJI-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"6923-22-4"	"DTXSID9034816"	"Monocrotophos"	"EPA_DSSTox"	"CC(=CC(=O)NC)OP(=O)(OC)OC"	"?"	"InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)"	"KRTSDMXIXPKRQR-UHFFFAOYSA-N"	TRUE	FALSE	18	1	2
"6925-69-5"	"DTXSID4064507"	"12H-Phthaloperin-12-one"	"EPA_DSSTox"	"O=C1C2=CC=CC=C2C2=NC3=CC=CC4C=CC=C(C=43)N21"	"?"	"InChI=1S/C18H10N2O/c21-18-13-8-2-1-7-12(13)17-19-14-9-3-5-11-6-4-10-15(16(11)14)20(17)18/h1-10H"	"XFYQEBBUVNLYBR-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"6926-73-4"	"DTXSID10219328"	"Bis(diethoxythiophosphinoyl) trisulphide"	"EPA_DSSTox"	"CCOP(=S)(OCC)SSSP(=S)(OCC)OCC"	"?"	"InChI=1S/C8H20O4P2S5/c1-5-9-13(15,10-6-2)17-19-18-14(16,11-7-3)12-8-4/h5-8H2,1-4H3"	"IQEAJQZWSFSIDF-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"693-05-0"	"DTXSID8061004"	"Propanenitrile, 3-(methylamino)-"	"EPA_DSSTox"	"CNCCC#N"	"?"	"InChI=1S/C4H8N2/c1-6-4-2-3-5/h6H,2,4H2,1H3"	"UNIJBMUBHBAUET-UHFFFAOYSA-N"	FALSE	TRUE	2260	3	5
"693-57-2"	"DTXSID90883480"	"Dodecanoic acid, 12-amino-"	"EPA_DSSTox"	"NCCCCCCCCCCCC(O)=O"	"?"	"InChI=1S/C12H25NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11,13H2,(H,14,15)"	"PBLZLIFKVPJDCO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"69353-21-5"	"DTXSID4052768"	"Galantamine hydrobromide"	"EPA_DSSTox"	"COC1C=CC2CN(C)CCC34C=CC(O)CC3OC=1C4=2"	"Br"	"InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3"	"ASUTZQLVASHGKV-UHFFFAOYSA-N"	FALSE	FALSE	75	2	3
"69377-81-7"	"DTXSID2034627"	"Fluroxypyr"	"EPA_DSSTox"	"NC1C(Cl)=C(F)N=C(OCC(O)=O)C=1Cl"	"?"	"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"	FALSE	TRUE	2405	3	5
"6940-53-0"	"DTXSID8064511"	"4-Chloro-2,5-dimethoxynitrobenzene"	"EPA_DSSTox"	"COC1=CC(=C(C=C1Cl)OC)[N+]([O-])=O"	"?"	"InChI=1S/C8H8ClNO4/c1-13-7-4-6(10(11)12)8(14-2)3-5(7)9/h3-4H,1-2H3"	"ORLPGMKKCAEWOW-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"69425-13-4"	"DTXSID90219583"	"Prifelone"	"EPA_DSSTox"	"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C1=CC=CS1"	"?"	"InChI=1S/C19H24O2S/c1-18(2,3)13-10-12(16(20)15-8-7-9-22-15)11-14(17(13)21)19(4,5)6/h7-11,21H,1-6H3"	"WAAVMZLJRXYRMA-UHFFFAOYSA-N"	FALSE	FALSE	1620	3	4
"6946-94-7"	NA	NA	"Public_CrossChecked"	"CC(=O)CCC(=O)N(CC)CC"	"?"	"InChI=1S/C9H17NO2/c1-4-10(5-2)9(12)7-6-8(3)11/h4-7H2,1-3H3"	"VDRYTURBQHVHLA-UHFFFAOYSA-N"	FALSE	TRUE	4760	3	5
"695-06-7"	"DTXSID8041298"	"gamma-Caprolactone"	"EPA_DSSTox"	"CCC1CCC(=O)O1"	"?"	"InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3"	"JBFHTYHTHYHCDJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"695-34-1"	"DTXSID1044720"	"4-Methylpyridin-2-amine"	"EPA_DSSTox"	"CC1=CC(N)=NC=C1"	"?"	"InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)"	"ORLGLBZRQYOWNA-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"6954-48-9"	"DTXSID30219800"	"Bonafton"	"EPA_DSSTox"	"O=C1C=CC2=CC(Br)=CC=C2C1=O"	"?"	"InChI=1S/C10H5BrO2/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h1-5H"	"MXWZRRPNVLCHMY-UHFFFAOYSA-N"	FALSE	TRUE	3900	3	5
"69563-51-5"	"DTXSID8071986"	"Benzenesulfonamide, N-(4-amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthracenyl)-"	"EPA_DSSTox"	"COC1=CC(NS(=O)(=O)C2C=CC=CC=2)=C2C(=C1N)C(=O)C1C=CC=CC=1C2=O"	"?"	"InChI=1S/C21H16N2O5S/c1-28-16-11-15(23-29(26,27)12-7-3-2-4-8-12)17-18(19(16)22)21(25)14-10-6-5-9-13(14)20(17)24/h2-11,23H,22H2,1H3"	"ZUWHJJGOYZUNDW-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"69581-33-5"	NA	NA	"Public_CrossChecked"	"O=C(C1CC1)N(C1CCOC1=O)C1C=CC=C(Cl)C=1"	"?"	"InChI=1S/C14H14ClNO3/c15-10-2-1-3-11(8-10)16(13(17)9-4-5-9)12-6-7-19-14(12)18/h1-3,8-9,12H,4-7H2"	"KRZUZYJEQBXUIN-UHFFFAOYSA-N"	FALSE	FALSE	174	2	3
"6959-47-3"	"DTXSID1020308"	"2-(Chloromethyl)pyridine hydrochloride"	"EPA_DSSTox"	"ClCC1=CC=CC=N1"	"Cl"	"InChI=1S/C6H6ClN/c7-5-6-3-1-2-4-8-6/h1-4H,5H2"	"NJWIMFZLESWFIM-UHFFFAOYSA-N"	FALSE	FALSE	316	2	4
"6959-48-4"	"DTXSID6020309"	"3-(Chloromethyl)pyridine hydrochloride"	"EPA_DSSTox"	"ClCC1C=NC=CC=1"	"Cl"	"InChI=1S/C6H6ClN/c7-4-6-2-1-3-8-5-6/h1-3,5H,4H2"	"CNQCWYFDIQSALX-UHFFFAOYSA-N"	FALSE	FALSE	316	2	4
"6959-71-3"	"DTXSID8064519"	"Propanenitrile, 3-butoxy-"	"EPA_DSSTox"	"CCCCOCCC#N"	"?"	"InChI=1S/C7H13NO/c1-2-3-6-9-7-4-5-8/h2-4,6-7H2,1H3"	"AWVNJBFNHGQUQU-UHFFFAOYSA-N"	FALSE	TRUE	7460	4	5
"696-29-7"	"DTXSID2061012"	"Cyclohexane, (1-methylethyl)-"	"EPA_DSSTox"	"CC(C)C1CCCCC1"	"?"	"InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3"	"GWESVXSMPKAFAS-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"6961-46-2"	"DTXSID8046404"	"Idrocilamide"	"EPA_DSSTox"	"OCCNC(=O)C=CC1C=CC=CC=1"	"?"	"InChI=1S/C11H13NO2/c13-9-8-12-11(14)7-6-10-4-2-1-3-5-10/h1-7,13H,8-9H2,(H,12,14)"	"OSCTXCOERRNGLW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"6962-44-3"	"DTXSID7064522"	"Acetamide, N-(2-methoxy-5-methylphenyl)-"	"EPA_DSSTox"	"CC1C=C(NC(C)=O)C(=CC=1)OC"	"?"	"InChI=1S/C10H13NO2/c1-7-4-5-10(13-3)9(6-7)11-8(2)12/h4-6H,1-3H3,(H,11,12)"	"POLMNXCVMYMLSF-UHFFFAOYSA-N"	FALSE	TRUE	2240	3	5
"69655-05-6"	"DTXSID6022927"	"2',3'-Dideoxyinosine"	"EPA_DSSTox"	"OCC1CCC(O1)N1C=NC2C(=O)NC=NC1=2"	"?"	"InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)"	"BXZVVICBKDXVGW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"69658-91-9"	"DTXSID9021051"	"3-Nitrosomethylaminopyridine"	"EPA_DSSTox"	"CN(N=O)C1C=NC=CC=1"	"?"	"InChI=1S/C6H7N3O/c1-9(8-10)6-3-2-4-7-5-6/h2-5H,1H3"	"GOPFSGIKKZFUJK-UHFFFAOYSA-N"	TRUE	FALSE	10	1	2
"69674-66-4"	NA	NA	"Public_CrossChecked"	"CC(C(O)=O)C1C=CC(=CC=1)N1CC2C=CC=CC=2C1=O"	"[Na+]"	"InChI=1S/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21)"	"RJMIEHBSYVWVIN-UHFFFAOYSA-N"	FALSE	FALSE	60.83	2	3
"6970-59-8"	NA	NA	"Public_CrossChecked"	"CC(CCC(C)(O)C=O)C=O"	"?"	"InChI=1S/C8H14O3/c1-7(5-9)3-4-8(2,11)6-10/h5-7,11H,3-4H2,1-2H3"	"JOOQERIABREPQT-UHFFFAOYSA-N"	FALSE	TRUE	5890	4	5
"6970-97-4"	"DTXSID60219994"	"Maleimide, methylenebis(N-carbamyl-"	"EPA_DSSTox"	"O=C1C=CC(=O)N1C(=O)NCNC(=O)N1C(=O)C=CC1=O"	"?"	"InChI=1S/C11H8N4O6/c16-6-1-2-7(17)14(6)10(20)12-5-13-11(21)15-8(18)3-4-9(15)19/h1-4H,5H2,(H,12,20)(H,13,21)"	"VZRYBANKEUAUFR-UHFFFAOYSA-N"	FALSE	FALSE	1420	3	4
"69704-19-4"	"DTXSID20219995"	"Di-L-glutamic acid, monocalcium salt, tetrahydrate, L-"	"EPA_DSSTox"	"NC(CCC(O)=O)C(O)=O"	"[Ca+2].O.O.O"	"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)"	"WHUUTDBJXJRKMK-UHFFFAOYSA-N"	FALSE	TRUE	14700	4	5
"697235-49-7"	"DTXSID80220022"	"Hydroxyphenyl propamidobenzoic acid"	"EPA_DSSTox"	"OC(=O)C1=CC=CC=C1NC(=O)CCC1C=CC(O)=CC=1"	"?"	"InChI=1S/C16H15NO4/c18-12-8-5-11(6-9-12)7-10-15(19)17-14-4-2-1-3-13(14)16(20)21/h1-6,8-9,18H,7,10H2,(H,17,19)(H,20,21)"	"DLFOKZQWYFNKCL-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"6974-12-5"	NA	NA	"Public_CrossChecked"	"BrCC=CCBr"	"?"	"InChI=1S/C4H6Br2/c5-3-1-2-4-6/h1-2H,3-4H2"	"RMXLHIUHKIVPAB-UHFFFAOYSA-N"	FALSE	FALSE	75	2	3
"69781-06-2"	"DTXSID40220068"	"Phenol, 4-(N-methyl-N-nitrosoamino)-, sulfate"	"EPA_DSSTox"	"CN(N=O)C1C=CC(O)=CC=1"	"S(O)(O)(=O)=O"	"InChI=1S/C7H8N2O2/c1-9(8-11)6-2-4-7(10)5-3-6/h2-5,10H,1H3"	"OZUFCRAEDISSPP-UHFFFAOYSA-N"	FALSE	FALSE	1729	3	4
"69784-42-5"	NA	NA	"Public_CrossChecked"	"CSC(C)(C)C=NOC(=O)N(C)SN(C)CC1C=CC=CC=1"	"?"	"InChI=1S/C15H23N3O2S2/c1-15(2,21-5)12-16-20-14(19)18(4)22-17(3)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3"	"KEYASAHFHBOCTN-UHFFFAOYSA-N"	TRUE	FALSE	9.4	1	2
"69784-43-6"	NA	NA	"Public_CrossChecked"	"CN(SN(CCCC)CCCC)C(=O)ON=CC(C)(C)SC"	"?"	"InChI=1S/C15H31N3O2S2/c1-7-9-11-18(12-10-8-2)22-17(5)14(19)20-16-13-15(3,4)21-6/h13H,7-12H2,1-6H3"	"SRFAYYLZLXEEJF-UHFFFAOYSA-N"	TRUE	FALSE	12.5	1	2
"69788-33-6"	NA	NA	"Public_CrossChecked"	"CCN(CCCCCCOC(=O)C1=CC(OC)=C(C=C1)OC)C1CC2C=CC(=CC=2CC1)OC"	"Cl"	"InChI=1S/C28H39NO5/c1-5-29(24-13-10-22-19-25(31-2)14-11-21(22)18-24)16-8-6-7-9-17-34-28(30)23-12-15-26(32-3)27(20-23)33-4/h11-12,14-15,19-20,24H,5-10,13,16-18H2,1-4H3"	"QWISOXIJIYRLTQ-UHFFFAOYSA-N"	FALSE	TRUE	2830	3	5
"69788-34-7"	NA	NA	"Public_CrossChecked"	"CCN(CCCCOC(=O)C1=CC(OC)=C(C=C1)OC)C1CC2C=C(OC)C(=CC=2CC1)OC"	"Cl"	"InChI=1S/C27H37NO6/c1-6-28(22-11-9-19-16-25(32-4)26(33-5)18-21(19)15-22)13-7-8-14-34-27(29)20-10-12-23(30-2)24(17-20)31-3/h10,12,16-18,22H,6-9,11,13-15H2,1-5H3"	"XZEJLMPKKLKAGH-UHFFFAOYSA-N"	FALSE	FALSE	1540	3	4
"69788-35-8"	NA	NA	"Public_CrossChecked"	"CCN(CCCCCCOC(=O)C1=CC(OC)=C(C=C1)OC)C1CC2C=C(OC)C(=CC=2CC1)OC"	"Cl"	"InChI=1S/C29H41NO6/c1-6-30(24-13-11-21-18-27(34-4)28(35-5)20-23(21)17-24)15-9-7-8-10-16-36-29(31)22-12-14-25(32-2)26(19-22)33-3/h12,14,18-20,24H,6-11,13,15-17H2,1-5H3"	"SAAVIAOTXCKBJH-UHFFFAOYSA-N"	FALSE	FALSE	561	3	4
"69788-36-9"	NA	NA	"Public_CrossChecked"	"CCN(CCCCCCOC(=O)C1=CC(OC)=C(C=C1)OC)C1CC2C=CC=CC=2CC1"	"Cl"	"InChI=1S/C27H37NO4/c1-4-28(24-15-13-21-11-7-8-12-22(21)19-24)17-9-5-6-10-18-32-27(29)23-14-16-25(30-2)26(20-23)31-3/h7-8,11-12,14,16,20,24H,4-6,9-10,13,15,17-19H2,1-3H3"	"PMVOPWZKALHBOU-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"69788-41-6"	NA	NA	"Public_CrossChecked"	"CC(C)N(CCCCOC(=O)C1C=CC(OC)=C(C=1)OC)C1CCC2C=C(C=CC=2C1)OC"	"Cl"	"InChI=1S/C27H37NO5/c1-19(2)28(23-11-8-21-17-24(30-3)12-9-20(21)16-23)14-6-7-15-33-27(29)22-10-13-25(31-4)26(18-22)32-5/h9-10,12-13,17-19,23H,6-8,11,14-16H2,1-5H3"	"NGRCDEUNBLWRGC-UHFFFAOYSA-N"	FALSE	FALSE	1540	3	4
"69788-42-7"	NA	NA	"Public_CrossChecked"	"CCCN(CCCCOC(=O)C1=CC(OC)=C(C=C1)OC)C1CC2C=CC(=CC=2CC1)OC"	"Cl"	"InChI=1S/C27H37NO5/c1-5-14-28(23-11-8-21-18-24(30-2)12-9-20(21)17-23)15-6-7-16-33-27(29)22-10-13-25(31-3)26(19-22)32-4/h9-10,12-13,18-19,23H,5-8,11,14-17H2,1-4H3"	"BZLCOWNANNAQCY-UHFFFAOYSA-N"	FALSE	FALSE	707	3	4
"698-76-0"	"DTXSID5047164"	"delta-Octanolactone"	"EPA_DSSTox"	"CCCC1CCCC(=O)O1"	"?"	"InChI=1S/C8H14O2/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3"	"FYTRVXSHONWYNE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"69806-34-4"	"DTXSID7042019"	"Haloxyfop"	"EPA_DSSTox"	"CC(OC1C=CC(=CC=1)OC1N=CC(=CC=1Cl)C(F)(F)F)C(O)=O"	"?"	"InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)"	"GOCUAJYOYBLQRH-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"69806-40-2"	"DTXSID6024123"	"Haloxyfop-methyl"	"EPA_DSSTox"	"COC(=O)C(C)OC1C=CC(=CC=1)OC1=NC=C(C=C1Cl)C(F)(F)F"	"?"	"InChI=1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3"	"MFSWTRQUCLNFOM-UHFFFAOYSA-N"	FALSE	FALSE	393	2	4
"69806-50-4"	"DTXSID3034612"	"Fluazifop-butyl"	"EPA_DSSTox"	"CCCCOC(=O)C(C)OC1C=CC(=CC=1)OC1C=CC(=CN=1)C(F)(F)F"	"?"	"InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3"	"VAIZTNZGPYBOGF-UHFFFAOYSA-N"	FALSE	TRUE	2910	3	5
"6984-99-2"	NA	NA	"Public_CrossChecked"	"O=C(C(F)(F)Cl)C(F)(F)F"	"?"	"InChI=1S/C3ClF5O/c4-2(5,6)1(10)3(7,8)9"	"OJUUDWYPNQALHZ-UHFFFAOYSA-N"	FALSE	FALSE	85	2	3
"6988-20-1"	NA	NA	"Public_CrossChecked"	"CC1COC(O1)C1C=CC=CC=1OC(=O)NC"	"?"	"InChI=1S/C12H15NO4/c1-8-7-15-11(16-8)9-5-3-4-6-10(9)17-12(14)13-2/h3-6,8,11H,7H2,1-2H3,(H,13,14)"	"XXIJPDVJRAQVSH-UHFFFAOYSA-N"	FALSE	FALSE	110	2	3
"6988-21-2"	"DTXSID2041886"	"Dioxacarb"	"EPA_DSSTox"	"CNC(=O)OC1C=CC=CC=1C1OCCO1"	"?"	"InChI=1S/C11H13NO4/c1-12-11(13)16-9-5-3-2-4-8(9)10-14-6-7-15-10/h2-5,10H,6-7H2,1H3,(H,12,13)"	"SDKQRNRRDYRQKY-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"69884-15-7"	NA	NA	"Public_CrossChecked"	"CC(=NC1C=CC(=CC=1)NC(=O)COC)N(C)C"	"[Cl-]"	"InChI=1S/C13H19N3O2/c1-10(16(2)3)14-11-5-7-12(8-6-11)15-13(17)9-18-4/h5-8H,9H2,1-4H3,(H,15,17)"	"MKFMTNNOZQXQBP-UHFFFAOYSA-N"	FALSE	TRUE	4693	3	5
"69915-62-4"	NA	NA	"Public_CrossChecked"	"CC(C)CCCC1CCC(C)(CC1)C(O)=O"	"?"	"InChI=1S/C14H26O2/c1-11(2)5-4-6-12-7-9-14(3,10-8-12)13(15)16/h11-12H,4-10H2,1-3H3,(H,15,16)"	"HARNFRANZLWZKO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"69915-63-5"	NA	NA	"Public_CrossChecked"	"CC(C)CCCC1CCC(C)(CC1)C(=O)NCC(O)=O"	"?"	"InChI=1S/C16H29NO3/c1-12(2)5-4-6-13-7-9-16(3,10-8-13)15(20)17-11-14(18)19/h12-13H,4-11H2,1-3H3,(H,17,20)(H,18,19)"	"LLAASQKFSUNJPU-UHFFFAOYSA-N"	FALSE	TRUE	10300	4	5
"6992-11-6"	"DTXSID5064542"	"2-Naphthalenecarboxamide, 4-[(2,5-dichlorophenyl)azo]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-"	"EPA_DSSTox"	"OC1=C(N=NC2C=C(Cl)C=CC=2Cl)C2C=CC=CC=2C=C1C(=O)NC1C=C2NC(=O)NC2=CC=1"	"?"	"InChI=1S/C24H15Cl2N5O3/c25-13-5-7-17(26)19(10-13)30-31-21-15-4-2-1-3-12(15)9-16(22(21)32)23(33)27-14-6-8-18-20(11-14)29-24(34)28-18/h1-11,32H,(H,27,33)(H2,28,29,34)"	"NAEXAHVLTQKKCY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"69929-16-4"	"DTXSID7052444"	"8-Ethoxy-2,6-dimethyloct-2-ene"	"EPA_DSSTox"	"CCOCCC(C)CCC=C(C)C"	"?"	"InChI=1S/C12H24O/c1-5-13-10-9-12(4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3"	"AUAWLMMUJFEVCX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"69975-86-6"	"DTXSID7022968"	"Doxofylline"	"EPA_DSSTox"	"CN1C(=O)C2=C(N=CN2CC2OCCO2)N(C)C1=O"	"?"	"InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3"	"HWXIGFIVGWUZAO-UHFFFAOYSA-N"	FALSE	FALSE	965	3	4
"70-00-8"	"DTXSID4046602"	"Trifluridine"	"EPA_DSSTox"	"OC1CC(OC1CO)N1C=C(C(=O)NC1=O)C(F)(F)F"	"?"	"InChI=1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)"	"VSQQQLOSPVPRAZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"70-07-5"	"DTXSID9023255"	"Mephenoxalone"	"EPA_DSSTox"	"COC1=CC=CC=C1OCC1CNC(=O)O1"	"?"	"InChI=1S/C11H13NO4/c1-14-9-4-2-3-5-10(9)15-7-8-6-12-11(13)16-8/h2-5,8H,6-7H2,1H3,(H,12,13)"	"ZMNSRFNUONFLSP-UHFFFAOYSA-N"	FALSE	TRUE	3820	3	5
"70-10-0"	"DTXSID8057809"	"Ticlatone"	"EPA_DSSTox"	"O=C1NSC2C=C(Cl)C=CC=21"	"?"	"InChI=1S/C7H4ClNOS/c8-4-1-2-5-6(3-4)11-9-7(5)10/h1-3H,(H,9,10)"	"POPOYOKQQAEISW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"70-25-7"	"DTXSID2020846"	"N-Methyl-N'-nitro-N-nitrosoguanidine"	"EPA_DSSTox"	"[H]/N=C(\N[N+]([O-])=O)/N(C)N=O"	"?"	"InChI=1S/C2H5N5O3/c1-6(5-8)2(3)4-7(9)10/h1H3,(H2,3,4)"	"VZUNGTLZRAYYDE-UHFFFAOYSA-N"	FALSE	FALSE	90	2	3
"70-29-1"	"DTXSID70220253"	"Diethyl sulfoxide"	"EPA_DSSTox"	"CCS(=O)CC"	"?"	"InChI=1S/C4H10OS/c1-3-6(5)4-2/h3-4H2,1-2H3"	"CCAFPWNGIUBUSD-UHFFFAOYSA-N"	FALSE	TRUE	5650	4	5
"70-30-4"	"DTXSID6020690"	"Hexachlorophene"	"EPA_DSSTox"	"OC1C(CC2C(Cl)=C(Cl)C=C(Cl)C=2O)=C(Cl)C(Cl)=CC=1Cl"	"?"	"InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2"	"ACGUYXCXAPNIKK-UHFFFAOYSA-N"	FALSE	FALSE	56	2	3
"70-38-2"	"DTXSID8040305"	"Dimethrin"	"EPA_DSSTox"	"CC(C)=CC1C(C(=O)OCC2C=CC(C)=CC=2C)C1(C)C"	"?"	"InChI=1S/C19H26O2/c1-12(2)9-16-17(19(16,5)6)18(20)21-11-15-8-7-13(3)10-14(15)4/h7-10,16-17H,11H2,1-6H3"	"FHNKBSDJERHDHZ-UHFFFAOYSA-N"	FALSE	TRUE	40000	4	5
"70-43-9"	"DTXSID8041618"	"Barthrin"	"EPA_DSSTox"	"CC(C)=CC1C(C(=O)OCC2C=C3OCOC3=CC=2Cl)C1(C)C"	"?"	"InChI=1S/C18H21ClO4/c1-10(2)5-12-16(18(12,3)4)17(20)21-8-11-6-14-15(7-13(11)19)23-9-22-14/h5-7,12,16H,8-9H2,1-4H3"	"KPMWGGRSOPMANK-UHFFFAOYSA-N"	FALSE	TRUE	15000	4	5
"70-55-3"	"DTXSID8029105"	"4-Toluenesulfonamide"	"EPA_DSSTox"	"CC1=CC=C(C=C1)S(N)(=O)=O"	"?"	"InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)"	"LMYRWZFENFIFIT-UHFFFAOYSA-N"	FALSE	TRUE	2330	3	5
"70-69-9"	"DTXSID7021738"	"4'-Aminopropiophenone"	"EPA_DSSTox"	"CCC(=O)C1C=CC(N)=CC=1"	"?"	"InChI=1S/C9H11NO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3"	"FSWXOANXOQPCFF-UHFFFAOYSA-N"	FALSE	FALSE	177	2	3
"700-13-0"	"DTXSID7052446"	"2,3,5-Trimethylhydroquinone"	"EPA_DSSTox"	"CC1=C(O)C=C(C)C(O)=C1C"	"?"	"InChI=1S/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H3"	"AUFZRCJENRSRLY-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"70024-40-7"	NA	NA	"Public_CrossChecked"	"COC1=CC2C(N)=NC(=NC=2C=C1OC)N1CCN(CC1)C(=O)C1CCCO1"	"O.O.Cl"	"InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)"	"VCKUSRYTPJJLNI-UHFFFAOYSA-N"	FALSE	TRUE	5500	4	5
"7004-95-7"	NA	NA	"Public_CrossChecked"	"CC12CCC3C(O)(CC(O)C4=CC(O)CCC43C)C1(O)CCC2c1coc(=O)cc1"	"?"	"InChI=1S/C24H32O6/c1-21-8-5-15(25)11-17(21)18(26)12-23(28)19(21)7-9-22(2)16(6-10-24(22,23)29)14-3-4-20(27)30-13-14/h3-4,11,13,15-16,18-19,25-26,28-29H,5-10,12H2,1-2H3"	"CAOKMXJYIBQRBR-UHFFFAOYSA-N"	TRUE	FALSE	NA	1	2
"7009-49-6"	"DTXSID60220363"	"Hexacyclonate sodium"	"EPA_DSSTox"	"OCC1(CC(O)=O)CCCCC1"	"[Na+]"	"InChI=1S/C9H16O3/c10-7-9(6-8(11)12)4-2-1-3-5-9/h10H,1-7H2,(H,11,12)"	"WMJPAYUKEVEBCN-UHFFFAOYSA-N"	TRUE	FALSE	20	1	2
"701-64-4"	"DTXSID6044981"	"Phenyl dihydrogen phosphate"	"EPA_DSSTox"	"OP(O)(=O)OC1C=CC=CC=1"	"?"	"InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)"	"CMPQUABWPXYYSH-UHFFFAOYSA-N"	FALSE	TRUE	2290	3	5
"7011-83-8"	"DTXSID3041299"	"Dihydrojasmone lactone"	"EPA_DSSTox"	"CCCCCCC1(C)CCC(=O)O1"	"?"	"InChI=1S/C11H20O2/c1-3-4-5-6-8-11(2)9-7-10(12)13-11/h3-9H2,1-2H3"	"ALWUKGXLBSQSMA-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"70124-77-5"	"DTXSID0022301"	"Flucythrinate"	"EPA_DSSTox"	"CC(C)C(C(=O)OC(C#N)C1=CC=CC(=C1)OC1=CC=CC=C1)C1=CC=C(C=C1)OC(F)F"	"?"	"InChI=1S/C26H23F2NO4/c1-17(2)24(18-11-13-21(14-12-18)32-26(27)28)25(30)33-23(16-29)19-7-6-10-22(15-19)31-20-8-4-3-5-9-20/h3-15,17,23-24,26H,1-2H3"	"GBIHOLCMZGAKNG-UHFFFAOYSA-N"	FALSE	FALSE	67	2	3
"70133-85-6"	NA	NA	"Public_CrossChecked"	"CN(C)CC(C)CN1C2=CC(Cl)=CC=C2OCOC2C=CC=CC1=2"	"Cl"	"InChI=1S/C19H23ClN2O2/c1-14(11-21(2)3)12-22-16-6-4-5-7-18(16)23-13-24-19-9-8-15(20)10-17(19)22/h4-10,14H,11-13H2,1-3H3"	"SQODSURYUNVIBL-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"70172-00-8"	NA	NA	"Public_CrossChecked"	"CC(O)C(C)=CC1C(C)=CCCC1(C)C"	"?"	"InChI=1S/C14H24O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,12-13,15H,6,8H2,1-5H3"	"LDDHQAGSKKNKSB-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"70174-49-1"	"DTXSID10742207"	"(1R)-4,7,7-Trimethyl-3-oxabicyclo[4.1.0]hept-4-en-2-one"	"EPA_DSSTox"	"CC1=CC2C(C(=O)O1)C2(C)C"	"?"	"InChI=1S/C9H12O2/c1-5-4-6-7(8(10)11-5)9(6,2)3/h4,6-7H,1-3H3"	"WHUFACPDKQXVMW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"70193-21-4"	NA	NA	"Public_CrossChecked"	"CCCCOC(NC(=O)C1C=CC=CC=1O)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C13H16Cl3NO3/c1-2-3-8-20-12(13(14,15)16)17-11(19)9-6-4-5-7-10(9)18/h4-7,12,18H,2-3,8H2,1H3,(H,17,19)"	"NHTFLYKPEGXOAN-UHFFFAOYSA-N"	FALSE	TRUE	7590	4	5
"702-54-5"	"DTXSID0061032"	"Diethadione"	"EPA_DSSTox"	"CCC1(COC(=O)NC1=O)CC"	"?"	"InChI=1S/C8H13NO3/c1-3-8(4-2)5-12-7(11)9-6(8)10/h3-5H2,1-2H3,(H,9,10,11)"	"ORTYMGHCFWKXHO-UHFFFAOYSA-N"	FALSE	FALSE	71	2	3
"70206-24-5"	"DTXSID7052448"	"2-[(8Z)-Heptadec-8-en-1-yl]-1-methyl-1-{2-[(9Z)-octadec-9-enoylamino]ethyl}-4,5-dihydro-1H-imidazol-1-ium methyl sulfate"	"EPA_DSSTox"	"C[N+]1(CCN=C1CCCCCCCC=CCCCCCCCC)CCNC(=O)CCCCCCCC=CCCCCCCCC"	"S(=O)(=O)(OC)[O-]"	"InChI=1S/C41H77N3O/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40-42-36-38-44(40,3)39-37-43-41(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21H,4-17,22-39H2,1-3H3/p+1"	"RDCFMYPAWIVZFX-UHFFFAOYSA-O"	FALSE	TRUE	24436	4	5
"7027-11-4"	"DTXSID8029284"	"1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile"	"EPA_DSSTox"	"CC1(C)CC(=O)CC(C)(C1)C#N"	"?"	"InChI=1S/C10H15NO/c1-9(2)4-8(12)5-10(3,6-9)7-11/h4-6H2,1-3H3"	"JJDFVIDVSCYKDS-UHFFFAOYSA-N"	FALSE	FALSE	61.6	2	3
"70293-55-9"	NA	NA	"Public_CrossChecked"	"CC(=C)C(=O)OCCOC(=O)C1=CC2=C(C=C1)C(=O)OC2=O"	"?"	"InChI=1S/C15H12O7/c1-8(2)12(16)20-5-6-21-13(17)9-3-4-10-11(7-9)15(19)22-14(10)18/h3-4,7H,1,5-6H2,2H3"	"RMCCONIRBZIDTH-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"70318-55-7"	NA	NA	"Public_CrossChecked"	"CC1C=C(C=CC=1N=CC1C=CC(=CC=1)OCCC(C)C)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C26H27NO2/c1-19(2)15-16-29-24-12-9-21(10-13-24)18-27-25-14-11-23(17-20(25)3)26(28)22-7-5-4-6-8-22/h4-14,17-19H,15-16H2,1-3H3"	"PGLHYTRNGPTKHW-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"70318-56-8"	NA	NA	"Public_CrossChecked"	"CC1C=C(C=CC=1N=CC1=CC(=CC=C1)OCCC(C)C)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C26H27NO2/c1-19(2)14-15-29-24-11-7-8-21(17-24)18-27-25-13-12-23(16-20(25)3)26(28)22-9-5-4-6-10-22/h4-13,16-19H,14-15H2,1-3H3"	"OBVQLMCKEUEQEJ-UHFFFAOYSA-N"	FALSE	TRUE	2100	3	5
"70321-86-7"	"DTXSID2028985"	"2-(2H-Benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol"	"EPA_DSSTox"	"CC(C)(C1C=C(C(O)=C(C=1)N1N=C2C=CC=CC2=N1)C(C)(C)C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C30H29N3O/c1-29(2,21-13-7-5-8-14-21)23-19-24(30(3,4)22-15-9-6-10-16-22)28(34)27(20-23)33-31-25-17-11-12-18-26(25)32-33/h5-20,34H,1-4H3"	"OLFNXLXEGXRUOI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"70356-09-1"	"DTXSID9044829"	"1-(4-tert-Butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione"	"EPA_DSSTox"	"COC1C=CC(=CC=1)C(=O)CC(=O)C1C=CC(=CC=1)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"	FALSE	TRUE	NA	4	5
"70381-28-1"	"DTXSID40220644"	"4H-Pyrido(1,2-a)pyrimidin-4-one, 3-butyl-2,6-dimethyl-, monohydrochloride"	"EPA_DSSTox"	"CCCCC1C(=O)N2C(C=CC=C2C)=NC=1C"	"Cl"	"InChI=1S/C14H18N2O/c1-4-5-8-12-11(3)15-13-9-6-7-10(2)16(13)14(12)17/h6-7,9H,4-5,8H2,1-3H3"	"KZYFGXACKSJUDW-UHFFFAOYSA-N"	FALSE	FALSE	1100	3	4
"70381-33-8"	"DTXSID60220646"	"4H-Pyrido(1,2-a)pyrimidin-4-one, 3-ethyl-2-methyl-, monohydrochloride"	"EPA_DSSTox"	"CC1N=C2C=CC=CN2C(=O)C=1CC"	"Cl"	"InChI=1S/C11H12N2O/c1-3-9-8(2)12-10-6-4-5-7-13(10)11(9)14/h4-7H,3H2,1-2H3"	"DKKRVLCXVRLMMU-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"70381-35-0"	"DTXSID80220648"	"4H-Pyrido(1,2-a)pyrimidin-4-one, 3-butyl-2-methyl-, monohydrochloride"	"EPA_DSSTox"	"CC1N=C2C=CC=CN2C(=O)C=1CCCC"	"Cl"	"InChI=1S/C13H16N2O/c1-3-4-7-11-10(2)14-12-8-5-6-9-15(12)13(11)16/h5-6,8-9H,3-4,7H2,1-2H3"	"OHQJFYPNXFAZLB-UHFFFAOYSA-N"	FALSE	FALSE	1100	3	4
"70381-39-4"	"DTXSID40220649"	"4H-Pyrido(1,2-a)pyrimidin-4-one, 2,6-dimethyl-3-ethyl-, monohydrochloride"	"EPA_DSSTox"	"CCC1C(=O)N2C(C=CC=C2C)=NC=1C"	"Cl"	"InChI=1S/C12H14N2O/c1-4-10-9(3)13-11-7-5-6-8(2)14(11)12(10)15/h5-7H,4H2,1-3H3"	"RCSYPYSJSNRLSK-UHFFFAOYSA-N"	FALSE	FALSE	690	3	4
"70381-67-8"	"DTXSID50220650"	"4H-Pyrido(1,2-a)pyrimidin-4-one, 3-ethyl-2,6,8-trimethyl-, monohydrochloride"	"EPA_DSSTox"	"CCC1C(=O)N2C(C=C(C)C=C2C)=NC=1C"	"Cl"	"InChI=1S/C13H16N2O/c1-5-11-10(4)14-12-7-8(2)6-9(3)15(12)13(11)16/h6-7H,5H2,1-4H3"	"DFNXHNBRQIABNY-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"70384-29-1"	"DTXSID7048613"	"Peplomycin sulfate"	"EPA_DSSTox"	"CC1C(=NC(=NC=1N)C(CC(N)=O)NCC(N)C(N)=O)C(=O)NC(C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)C1=CNC=N1)C(=O)NC(C)C(O)C(C)C(=O)NC(C(C)O)C(=O)NCCC1=NC(=CS1)C1=NC(=CS1)C(=O)NCCCNC(C)C1=CC=CC=C1"	"OS(=O)(=O)O"	"InChI=1S/C61H88N18O21S2/c1-24-39(76-52(79-50(24)64)31(16-37(63)83)71-17-30(62)51(65)89)56(93)78-41(47(32-18-67-23-72-32)98-60-49(45(87)43(85)35(19-80)97-60)99-59-46(88)48(100-61(66)95)44(86)36(20-81)96-59)57(94)73-27(4)42(84)25(2)53(90)77-40(28(5)82)55(92)70-15-12-38-74-34(22-101-38)58-75-33(21-102-58)54(91)69-14-9-13-68-26(3)29-10-7-6-8-11-29/h6-8,10-11,18,21-23,25-28,30-31,35-36,40-49,59-60,68,71,80-82,84-88H,9,12-17,19-20,62H2,1-5H3,(H2,63,83)(H2,65,89)(H2,66,95)(H,67,72)(H,69,91)(H,70,92)(H,73,94)(H,77,90)(H,78,93)(H2,64,76,79)"	"QIMGFXOHTOXMQP-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"70458-95-6"	"DTXSID8045935"	"Pefloxacin mesylate"	"EPA_DSSTox"	"CN1CCN(CC1)C1=CC2=C(C=C1F)C(=O)C(=CN2CC)C(O)=O"	"CS(=O)(=O)O"	"InChI=1S/C17H20FN3O3/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21/h8-10H,3-7H2,1-2H3,(H,23,24)"	"FHFYDNQZQSQIAI-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"70458-96-7"	"DTXSID7037680"	"Norfloxacin"	"EPA_DSSTox"	"CCN1C=C(C(O)=O)C(=O)C2C=C(F)C(=CC1=2)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"	FALSE	TRUE	NA	3	5
"70476-82-3"	"DTXSID0045173"	"Mitoxantrone dihydrochloride"	"EPA_DSSTox"	"OC1=CC=C(O)C2=C1C(=O)C1=C(C(=CC=C1NCCNCCO)NCCNCCO)C2=O"	"Cl.Cl"	"InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2"	"KKZJGLLVHKMTCM-UHFFFAOYSA-N"	FALSE	FALSE	682	3	4
"7055-03-0"	"DTXSID5042116"	"Mebenil"	"EPA_DSSTox"	"CC1C=CC=CC=1C(=O)NC1C=CC=CC=1"	"?"	"InChI=1S/C14H13NO/c1-11-7-5-6-10-13(11)14(16)15-12-8-3-2-4-9-12/h2-10H,1H3,(H,15,16)"	"MZNCVTCEYXDDIS-UHFFFAOYSA-N"	FALSE	TRUE	6000	4	5
"706-79-6"	"DTXSID0061038"	"Cyclopentene, 1,2-dichloro-3,3,4,4,5,5-hexafluoro-"	"EPA_DSSTox"	"FC1(F)C(F)(F)C(Cl)=C(Cl)C1(F)F"	"?"	"InChI=1S/C5Cl2F6/c6-1-2(7)4(10,11)5(12,13)3(1,8)9"	"ABPBVCKGWWGZDP-UHFFFAOYSA-N"	FALSE	FALSE	280	2	3
"70630-17-0"	"DTXSID8032671"	"Metalaxyl-M"	"EPA_DSSTox"	"CC1C=CC=C(C)C=1N(C(C)C(=O)OC)C(=O)COC"	"?"	"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"	FALSE	FALSE	NA	NA	4
"70667-26-4"	NA	NA	"Public_CrossChecked"	"CC(CC(O)C=CC1C(CC(=O)CCCCC(=O)OC)C(=O)CC1O)CCCC"	"?"	"InChI=1S/C23H38O6/c1-4-5-8-16(2)13-18(25)11-12-19-20(22(27)15-21(19)26)14-17(24)9-6-7-10-23(28)29-3/h11-12,16,18-21,25-26H,4-10,13-15H2,1-3H3"	"BBRBUTFBTUFFBU-UHFFFAOYSA-N"	TRUE	FALSE	44	1	2
"7068-83-9"	"DTXSID20220960"	"Nitrosomethyl-N-butylamine"	"EPA_DSSTox"	"CCCCN(C)N=O"	"?"	"InChI=1S/C5H12N2O/c1-3-4-5-7(2)6-8/h3-5H2,1-2H3"	"PKTSCJXWLVREKX-UHFFFAOYSA-N"	FALSE	FALSE	130	2	3
"70682-61-0"	NA	NA	"Public_CrossChecked"	"C[Si](OC(=O)C(CCCC)CC)(OC(=O)C(CCCC)CC)OC(=O)C(CCCC)CC"	"?"	"InChI=1S/C25H48O6Si/c1-8-14-17-20(11-4)23(26)29-32(7,30-24(27)21(12-5)18-15-9-2)31-25(28)22(13-6)19-16-10-3/h20-22H,8-19H2,1-7H3"	"JOPQOJFZJSAFHO-UHFFFAOYSA-N"	FALSE	TRUE	2280	3	5
"7070-71-5"	"DTXSID70220970"	"Carbamic acid, methyl-, o-(4,7-dihydro-1,3-dioxepin-2-yl)phenyl ester"	"EPA_DSSTox"	"CNC(=O)OC1=CC=CC=C1C1OCC=CCO1"	"?"	"InChI=1S/C13H15NO4/c1-14-13(15)18-11-7-3-2-6-10(11)12-16-8-4-5-9-17-12/h2-7,12H,8-9H2,1H3,(H,14,15)"	"MIWDHMIFYCWVSC-UHFFFAOYSA-N"	TRUE	FALSE	35	1	2
"70700-29-7"	NA	NA	"Public_CrossChecked"	"CC(NCCCCCCCC)C(O)C1=CC2CCCSC=2C=C1"	"?"	"InChI=1S/C20H33NOS/c1-3-4-5-6-7-8-13-21-16(2)20(22)18-11-12-19-17(15-18)10-9-14-23-19/h11-12,15-16,20-22H,3-10,13-14H2,1-2H3"	"NGLJZOICHPACDB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"70701-62-1"	NA	NA	"Public_CrossChecked"	"OS(=O)(=O)OC1C(OS(O)(=O)=O)C(OS(O)(=O)=O)C(OS(O)(=O)=O)C(OS(O)(=O)=O)C1OS(O)(=O)=O"	"?"	"InChI=1S/C6H12O24S6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H,7,8,9)(H,10,11,12)(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)"	"NBTMNFYXJYCQHQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"70729-68-9"	"DTXSID6028995"	"Tetraethylene glycol diheptanoate"	"EPA_DSSTox"	"CCCCCCC(=O)OCCOCCOCCOCCOC(=O)CCCCCC"	"?"	"InChI=1S/C22H42O7/c1-3-5-7-9-11-21(23)28-19-17-26-15-13-25-14-16-27-18-20-29-22(24)12-10-8-6-4-2/h3-20H2,1-2H3"	"SSKNCQWPZQCABD-UHFFFAOYSA-N"	FALSE	TRUE	25000	4	5
"70735-85-2"	"DTXSID50221006"	"2(3H)-Benzoxazolone, 6-(1-oxobutyl)-"	"EPA_DSSTox"	"CCCC(=O)C1C=C2OC(=O)NC2=CC=1"	"?"	"InChI=1S/C11H11NO3/c1-2-3-9(13)7-4-5-8-10(6-7)15-11(14)12-8/h4-6H,2-3H2,1H3,(H,12,14)"	"WRZHCJAMRKTKNK-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"7076-53-1"	NA	NA	"Public_CrossChecked"	"COP(=O)(OC=C(Cl)Cl)OCCS(=O)CC"	"?"	"InChI=1S/C7H13Cl2O5PS/c1-3-16(11)5-4-13-15(10,12-2)14-6-7(8)9/h6H,3-5H2,1-2H3"	"AACILMLPSLEQMF-UHFFFAOYSA-N"	FALSE	FALSE	110	2	3
"7078-98-0"	"DTXSID6052453"	"4-Benzylidene-2,6-di-tert-butylcyclohexa-2,5-dien-1-one"	"EPA_DSSTox"	"CC(C)(C)C1=CC(C=C(C1=O)C(C)(C)C)=CC1C=CC=CC=1"	"?"	"InChI=1S/C21H26O/c1-20(2,3)17-13-16(12-15-10-8-7-9-11-15)14-18(19(17)22)21(4,5)6/h7-14H,1-6H3"	"HCUWXYBKPSKTAB-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"70803-10-0"	"DTXSID10221067"	"Salicylamide, N-(3-methyl-1-phenyl-5-pyrazolyl)-"	"EPA_DSSTox"	"CC1C=C(NC(=O)C2=CC=CC=C2O)N(N=1)C1C=CC=CC=1"	"?"	"InChI=1S/C17H15N3O2/c1-12-11-16(20(19-12)13-7-3-2-4-8-13)18-17(22)14-9-5-6-10-15(14)21/h2-11,21H,1H3,(H,18,22)"	"FSUNWBKRGXYJSH-UHFFFAOYSA-N"	FALSE	FALSE	1321	3	4
"7081-53-0"	NA	NA	"Public_CrossChecked"	"CCN1CC(CCN2CCOCC2)C(C1=O)(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C24H30N2O2/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3"	"XFDJYSQDBULQSI-UHFFFAOYSA-N"	FALSE	FALSE	261	2	3
"70833-40-8"	NA	NA	"Public_CrossChecked"	"CCC(C)(C)OOC(=O)OCC(CCCC)CC"	"?"	"InChI=1S/C14H28O4/c1-6-9-10-12(7-2)11-16-13(15)17-18-14(4,5)8-3/h12H,6-11H2,1-5H3"	"HTCRKQHJUYBQTK-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"7085-19-0"	"DTXSID9024194"	"Mecoprop"	"EPA_DSSTox"	"CC1=CC(Cl)=CC=C1OC(C)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"	FALSE	FALSE	1166	3	4
"7085-85-0"	"DTXSID1025279"	"Ethyl cyanoacrylate"	"EPA_DSSTox"	"CCOC(=O)C(=C)C#N"	"?"	"InChI=1S/C6H7NO2/c1-3-9-6(8)5(2)4-7/h2-3H2,1H3"	"FGBJXOREULPLGL-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"70851-61-5"	"DTXSID1052454"	"(Z)-5-Hex-3-enyldihydro-5-methylfuran-2(3H)-one"	"EPA_DSSTox"	"CCC=CCCC1(C)CCC(=O)O1"	"?"	"InChI=1S/C11H18O2/c1-3-4-5-6-8-11(2)9-7-10(12)13-11/h4-5H,3,6-9H2,1-2H3"	"NIKDJTTZUYNCMM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"7087-68-5"	"DTXSID8064561"	"2-Propanamine, N-ethyl-N-(1-methylethyl)-"	"EPA_DSSTox"	"CCN(C(C)C)C(C)C"	"?"	"InChI=1S/C8H19N/c1-6-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3"	"JGFZNNIVVJXRND-UHFFFAOYSA-N"	FALSE	FALSE	317	2	4
"70886-61-2"	NA	NA	"Public_CrossChecked"	"CC(OC1=CC=CC2=CC=CC=C12)C(N)N=O"	"Cl"	"InChI=1S/C13H14N2O2/c1-9(13(14)15-16)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-9,13H,14H2,1H3"	"NJJAZNXYLFOKOJ-UHFFFAOYSA-N"	FALSE	FALSE	90	2	3
"7089-59-0"	NA	NA	"Public_CrossChecked"	"OC(CO)C1OC(OC(CO)C1O)C1=CC=CO1"	"?"	"InChI=1S/C11H16O7/c12-4-6(14)10-9(15)8(5-13)17-11(18-10)7-2-1-3-16-7/h1-3,6,8-15H,4-5H2"	"YZNXOCVTNIERFC-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"70891-37-1"	"DTXSID40221116"	"Nafimidone hydrochloride"	"EPA_DSSTox"	"O=C(CN1C=NC=C1)C1C=C2C=CC=CC2=CC=1"	"Cl"	"InChI=1S/C15H12N2O/c18-15(10-17-8-7-16-11-17)14-6-5-12-3-1-2-4-13(12)9-14/h1-9,11H,10H2"	"ITPVLJQRUQVNSD-UHFFFAOYSA-N"	FALSE	FALSE	504	3	4
"709-08-0"	"DTXSID50221127"	"Phenol, p-(1-cyclohexen-1-yl)-"	"EPA_DSSTox"	"OC1C=CC(=CC=1)C1CCCCC=1"	"?"	"InChI=1S/C12H14O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h4,6-9,13H,1-3,5H2"	"YGEZIEXHMBTZMT-UHFFFAOYSA-N"	FALSE	TRUE	2830	3	5
"709-55-7"	"DTXSID1023029"	"Etilefrine"	"EPA_DSSTox"	"CCNCC(O)C1C=C(O)C=CC=1"	"?"	"InChI=1S/C10H15NO2/c1-2-11-7-10(13)8-4-3-5-9(12)6-8/h3-6,10-13H,2,7H2,1H3"	"SQVIAVUSQAWMKL-UHFFFAOYSA-N"	FALSE	FALSE	114	2	3
"709-90-0"	NA	NA	"Public_CrossChecked"	"CC(CC1C=CC=CC=1)OC(N)=O"	"?"	"InChI=1S/C10H13NO2/c1-8(13-10(11)12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,11,12)"	"QWJRGNMSAAHHJP-UHFFFAOYSA-N"	FALSE	FALSE	1100	3	4
"709-98-8"	"DTXSID8022111"	"Propanil"	"EPA_DSSTox"	"CCC(=O)NC1C=C(Cl)C(Cl)=CC=1"	"?"	"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"	FALSE	FALSE	367	2	4
"70907-61-8"	NA	NA	"Public_CrossChecked"	"C(COC1C=CC=CC=1C1CCCCC1)C1NCCN=1"	"[Cl-]"	"InChI=1S/C17H24N2O/c1-2-6-14(7-3-1)15-8-4-5-9-16(15)20-13-10-17-18-11-12-19-17/h4-5,8-9,14H,1-3,6-7,10-13H2,(H,18,19)"	"AZFNDZGVCFARNQ-UHFFFAOYSA-N"	TRUE	FALSE	9.2	1	2
"7091-41-0"	"DTXSID60221138"	"p-Tolueneboronic acid, cyclic neopentanetetrayl ester"	"EPA_DSSTox"	"CC1C=CC(=CC=1)B1OCC2(COB(OC2)C2C=CC(C)=CC=2)CO1"	"?"	"InChI=1S/C19H22B2O4/c1-15-3-7-17(8-4-15)20-22-11-19(12-23-20)13-24-21(25-14-19)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3"	"LIKRJSWBWZSSLR-UHFFFAOYSA-N"	FALSE	FALSE	1130	3	4
"71-00-1"	"DTXSID9023126"	"Histidine"	"EPA_DSSTox"	"NC(CC1=CN=CN1)C(O)=O"	"?"	"InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)"	"HNDVDQJCIGZPNO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"71-36-3"	"DTXSID1021740"	"1-Butanol"	"EPA_DSSTox"	"CCCCO"	"?"	"InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3"	"LRHPLDYGYMQRHN-UHFFFAOYSA-N"	FALSE	FALSE	790	3	4
"71-41-0"	"DTXSID6021741"	"1-Pentanol"	"EPA_DSSTox"	"CCCCCO"	"?"	"InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3"	"AMQJEAYHLZJPGS-UHFFFAOYSA-N"	FALSE	TRUE	2200	3	5
"71-55-6"	"DTXSID0021381"	"1,1,1-Trichloroethane"	"EPA_DSSTox"	"CC(Cl)(Cl)Cl"	"?"	"InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3"	"UOCLXMDMGBRAIB-UHFFFAOYSA-N"	FALSE	TRUE	9600	4	5
"71-58-9"	"DTXSID0025527"	"Medroxyprogesterone acetate"	"EPA_DSSTox"	"CC1CC2C(CCC3(C)C2CCC3(OC(C)=O)C(C)=O)C2(C)CCC(=O)C=C21"	"?"	"InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3"	"PSGAAPLEWMOORI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"71-63-6"	"DTXSID0022933"	"Digitoxin"	"EPA_DSSTox"	"CC12CCC(CC1CCC1C2CCC2(C)C(CCC21O)C1COC(=O)C=1)OC1CC(O)C(OC2CC(O)C(OC3CC(O)C(O)C(C)O3)C(C)O2)C(C)O1"	"?"	"InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3"	"WDJUZGPOPHTGOT-UHFFFAOYSA-N"	TRUE	FALSE	23.75	1	2
"71-73-8"	"DTXSID1021744"	"Thiopental sodium"	"EPA_DSSTox"	"CCC1(C(C)CCC)C(=O)NC(S)=NC1=O"	"[Na+]"	"InChI=1S/C11H18N2O2S/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)"	"IUJDSEJGGMCXSG-UHFFFAOYSA-N"	FALSE	FALSE	117	2	3
"71-78-3"	NA	NA	"Public_CrossChecked"	"OC(C1CCCCN1)(C1C=CC=CC=1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C18H21NO/c20-18(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-6,9-12,17,19-20H,7-8,13-14H2"	"XSWHNYGMWWVAIE-UHFFFAOYSA-N"	FALSE	FALSE	180	2	3
"71-79-4"	"DTXSID70221220"	"Benzacin hydrochloride"	"EPA_DSSTox"	"CN(C)CCOC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C18H21NO3/c1-19(2)13-14-22-17(20)18(21,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,21H,13-14H2,1-2H3"	"BUEPKUNNPRRSKV-UHFFFAOYSA-N"	FALSE	FALSE	1035	3	4
"71048-99-2"	"DTXSID4058235"	"Bilanafos-sodium"	"EPA_DSSTox"	"CC(NC(=O)C(N)CCP(C)(O)=O)C(=O)NC(C)C(O)=O"	"[Na+]"	"InChI=1S/C11H22N3O6P/c1-6(9(15)14-7(2)11(17)18)13-10(16)8(12)4-5-21(3,19)20/h6-8H,4-5,12H2,1-3H3,(H,13,16)(H,14,15)(H,17,18)(H,19,20)"	"GINJFDRNADDBIN-UHFFFAOYSA-N"	FALSE	FALSE	268	2	3
"71077-34-4"	"DTXSID20887835"	"Benzenesulfonic acid, 4-[(3-amino-4-methylbenzoyl)amino]-, sodium salt (1:1)"	"EPA_DSSTox"	"CC1=CC=C(C=C1N)C(=O)NC1C=CC(=CC=1)S(O)(=O)=O"	"[Na+]"	"InChI=1S/C14H14N2O4S/c1-9-2-3-10(8-13(9)15)14(17)16-11-4-6-12(7-5-11)21(18,19)20/h2-8H,15H2,1H3,(H,16,17)(H,18,19,20)"	"JIPDTRLJBRHTRV-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"71108-02-6"	NA	NA	"Public_CrossChecked"	"CC1(C)SC(=NC(C)C)SC1=NOC(=O)N(C)SN(C)C(=O)ON=C1SC(=NC(C)C)SC1(C)C"	"?"	"InChI=1S/C20H32N6O4S5/c1-11(2)21-15-31-13(19(5,6)33-15)23-29-17(27)25(9)35-26(10)18(28)30-24-14-20(7,8)34-16(32-14)22-12(3)4/h11-12H,1-10H3"	"KXSKHNBTAJUMOA-UHFFFAOYSA-N"	FALSE	FALSE	113	2	3
"71108-05-9"	NA	NA	"Public_CrossChecked"	"CNC(=O)ON=C1SC(=NC(C)C)SC1(C)C"	"?"	"InChI=1S/C10H17N3O2S2/c1-6(2)12-9-16-7(10(3,4)17-9)13-15-8(14)11-5/h6H,1-5H3,(H,11,14)"	"ZPAWRGPHYCZYMK-UHFFFAOYSA-N"	TRUE	FALSE	8.9	1	2
"71108-06-0"	NA	NA	"Public_CrossChecked"	"CC1(C)SC(=NC(C)C)SC1=NOC(=O)N(C)SC(Cl)(Cl)Cl"	"?"	"InChI=1S/C11H16Cl3N3O2S3/c1-6(2)15-8-20-7(10(3,4)21-8)16-19-9(18)17(5)22-11(12,13)14/h6H,1-5H3"	"RQUMHYDSCNIHTL-UHFFFAOYSA-N"	FALSE	FALSE	226	2	3
"71108-14-0"	NA	NA	"Public_CrossChecked"	"CC1(C)SC(=NN(C)C)SC1=NOC(=O)N(C)SC(Cl)(Cl)Cl"	"?"	"InChI=1S/C10H15Cl3N4O2S3/c1-9(2)6(20-7(21-9)14-16(3)4)15-19-8(18)17(5)22-10(11,12)13/h1-5H3"	"JIPXAMDNVZRBDI-UHFFFAOYSA-N"	TRUE	FALSE	3.5	1	1
"71108-21-9"	NA	NA	"Public_CrossChecked"	"CC1(C)SC(SC1=NOC(=O)N(C)SC(Cl)(Cl)Cl)=C(C#N)C#N"	"?"	"InChI=1S/C11H9Cl3N4O2S3/c1-10(2)8(21-7(22-10)6(4-15)5-16)17-20-9(19)18(3)23-11(12,13)14/h1-3H3"	"UEKLLODROBJFPY-UHFFFAOYSA-N"	FALSE	FALSE	538	3	4
"71119-10-3"	"DTXSID10221325"	"Lotifazole"	"EPA_DSSTox"	"O=C(NC1=NC(=CS1)C1C=CC=CC=1)OCC(Cl)(Cl)Cl"	"?"	"InChI=1S/C12H9Cl3N2O2S/c13-12(14,15)7-19-11(18)17-10-16-9(6-20-10)8-4-2-1-3-5-8/h1-6H,7H2,(H,16,17,18)"	"SMQXDOVGKKMUIZ-UHFFFAOYSA-N"	FALSE	FALSE	550	3	4
"71130-54-6"	"DTXSID2072251"	"Phenyl p-cyanophenylcarbamate"	"EPA_DSSTox"	"N#CC1C=CC(=CC=1)NC(=O)OC1C=CC=CC=1"	"?"	"InChI=1S/C14H10N2O2/c15-10-11-6-8-12(9-7-11)16-14(17)18-13-4-2-1-3-5-13/h1-9H,(H,16,17)"	"BXXVRXJSDVTMJN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"71130-60-4"	"DTXSID2072257"	"Phenol, 2-[(ethylamino)methyl]-4-nitro-"	"EPA_DSSTox"	"CCNCC1=CC(=CC=C1O)[N+]([O-])=O"	"?"	"InChI=1S/C9H12N2O3/c1-2-10-6-7-5-8(11(13)14)3-4-9(7)12/h3-5,10,12H,2,6H2,1H3"	"BXQBOFZTTUXRNK-UHFFFAOYSA-N"	FALSE	FALSE	1014	3	4
"712-50-5"	"DTXSID5048182"	"Cyclohexylphenylketone"	"EPA_DSSTox"	"O=C(C1CCCCC1)C1C=CC=CC=1"	"?"	"InChI=1S/C13H16O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2"	"BMFYCFSWWDXEPB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"7128-64-5"	"DTXSID1048205"	"2,5-Bis(5-tert-butylbenzoxazol-2-yl)thiophene"	"EPA_DSSTox"	"CC(C)(C)C1=CC2N=C(OC=2C=C1)C1=CC=C(S1)C1=NC2C=C(C=CC=2O1)C(C)(C)C"	"?"	"InChI=1S/C26H26N2O2S/c1-25(2,3)15-7-9-19-17(13-15)27-23(29-19)21-11-12-22(31-21)24-28-18-14-16(26(4,5)6)8-10-20(18)30-24/h7-14H,1-6H3"	"AIXZBGVLNVRQSS-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"71280-74-5"	NA	NA	"Public_CrossChecked"	"OC(=O)CNC(C1C=CC=CC=1)C1C=CC(F)=CC=1"	"?"	"InChI=1S/C15H14FNO2/c16-13-8-6-12(7-9-13)15(17-10-14(18)19)11-4-2-1-3-5-11/h1-9,15,17H,10H2,(H,18,19)"	"BDAKANVSWOYOHW-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"71292-59-6"	NA	NA	"Public_CrossChecked"	"OC(=O)CNC(C1C=CC=CC=1)C1=CC(Cl)=C(Cl)C=C1"	"?"	"InChI=1S/C15H13Cl2NO2/c16-12-7-6-11(8-13(12)17)15(18-9-14(19)20)10-4-2-1-3-5-10/h1-8,15,18H,9H2,(H,19,20)"	"QBZLVOKGDIQHKX-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"71294-03-6"	"DTXSID90395694"	"7-Fluorooxindole"	"EPA_DSSTox"	"O=C1CC2C=CC=C(F)C=2N1"	"?"	"InChI=1S/C8H6FNO/c9-6-3-1-2-5-4-7(11)10-8(5)6/h1-3H,4H2,(H,10,11)"	"VMUIOEOYZHJLEZ-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"713-68-8"	"DTXSID9061047"	"Phenol, 3-phenoxy-"	"EPA_DSSTox"	"OC1C=C(C=CC=1)OC1C=CC=CC=1"	"?"	"InChI=1S/C12H10O2/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,13H"	"HBUCPZGYBSEEHF-UHFFFAOYSA-N"	FALSE	FALSE	1211	3	4
"713-95-1"	"DTXSID9047596"	"5-Dodecanolide"	"EPA_DSSTox"	"CCCCCCCC1CCCC(=O)O1"	"?"	"InChI=1S/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3"	"QRPLZGZHJABGRS-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"71306-36-0"	"DTXSID10221461"	"Alinidine hydrobromide"	"EPA_DSSTox"	"C=CCN(C1C(Cl)=CC=CC=1Cl)C1NCCN=1"	"Br"	"InChI=1S/C12H13Cl2N3/c1-2-8-17(12-15-6-7-16-12)11-9(13)4-3-5-10(11)14/h2-5H,1,6-8H2,(H,15,16)"	"OXTYVEUAQHPPMV-UHFFFAOYSA-N"	FALSE	FALSE	233	2	3
"71320-77-9"	"DTXSID9040554"	"Moclobemide"	"EPA_DSSTox"	"O=C(NCCN1CCOCC1)C1C=CC(Cl)=CC=1"	"?"	"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"	FALSE	FALSE	707	3	4
"71363-61-6"	NA	NA	"Public_CrossChecked"	"CCOP(=O)(OC(CCl)C1C=C(Cl)C(Cl)=CC=1Cl)OC=C"	"?"	"InChI=1S/C12H13Cl4O4P/c1-3-18-21(17,19-4-2)20-12(7-13)8-5-10(15)11(16)6-9(8)14/h3,5-6,12H,1,4,7H2,2H3"	"WUDYDKJSTAKBCJ-UHFFFAOYSA-N"	FALSE	FALSE	1100	3	4
"71422-67-8"	"DTXSID5041772"	"Chlorfluazuron"	"EPA_DSSTox"	"O=C(NC1C=C(Cl)C(OC2=NC=C(C=C2Cl)C(F)(F)F)=C(Cl)C=1)NC(=O)C1C(F)=CC=CC=1F"	"?"	"InChI=1S/C20H9Cl3F5N3O3/c21-10-5-9(30-19(33)31-17(32)15-13(24)2-1-3-14(15)25)6-11(22)16(10)34-18-12(23)4-8(7-29-18)20(26,27)28/h1-7H,(H2,30,31,32,33)"	"UISUNVFOGSJSKD-UHFFFAOYSA-N"	FALSE	FALSE	445	2	4
"7143-67-1"	NA	NA	"Public_CrossChecked"	"CSC1N=CN=C2C=1N=CN2C1OC(CO)C(O)C1O"	"O"	"InChI=1S/C11H14N4O4S/c1-20-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)19-11/h3-5,7-8,11,16-18H,2H2,1H3"	"ZDRFDHHANOYUTE-UHFFFAOYSA-N"	FALSE	FALSE	214	2	3
"7143-69-3"	"DTXSID90864012"	"Benzeneacetic acid, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester"	"EPA_DSSTox"	"CC(C)=CCCC(C)(C=C)OC(=O)CC1C=CC=CC=1"	"?"	"InChI=1S/C18H24O2/c1-5-18(4,13-9-10-15(2)3)20-17(19)14-16-11-7-6-8-12-16/h5-8,10-12H,1,9,13-14H2,2-4H3"	"RROUXOOIXJRTOM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"71475-35-9"	"DTXSID8046163"	"Lozilurea"	"EPA_DSSTox"	"CCNC(=O)NCC1C=C(Cl)C=CC=1"	"?"	"InChI=1S/C10H13ClN2O/c1-2-12-10(14)13-7-8-4-3-5-9(11)6-8/h3-6H,2,7H2,1H3,(H2,12,13,14)"	"ATMWYLVZVAXVDZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"71500-37-3"	NA	NA	"Public_CrossChecked"	"CC(CC(=O)OCC=C)CC(C)(C)C"	"?"	"InChI=1S/C12H22O2/c1-6-7-14-11(13)8-10(2)9-12(3,4)5/h6,10H,1,7-9H2,2-5H3"	"NSXNWIWVNIJLHK-UHFFFAOYSA-N"	FALSE	FALSE	1400	3	4
"7152-80-9"	"DTXSID4042252"	"4-(Dimethylamino)phenylthiocyanate"	"EPA_DSSTox"	"CN(C)C1C=CC(=CC=1)SC#N"	"?"	"InChI=1S/C9H10N2S/c1-11(2)8-3-5-9(6-4-8)12-7-10/h3-6H,1-2H3"	"WCCIEZDFRJREQJ-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"71548-68-0"	NA	NA	"Public_CrossChecked"	"CCCC(C)(OC1C=CC(CC2C=CC(Cl)=CC=2)=CC=1)C(=O)OCC1C=CC=NC=1"	"?"	"InChI=1S/C25H26ClNO3/c1-3-14-25(2,24(28)29-18-21-5-4-15-27-17-21)30-23-12-8-20(9-13-23)16-19-6-10-22(26)11-7-19/h4-13,15,17H,3,14,16,18H2,1-2H3"	"IOBUQRFHGSZURK-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"71561-11-0"	"DTXSID3058167"	"Pyrazoxyfen"	"EPA_DSSTox"	"CC1=NN(C)C(OCC(=O)C2C=CC=CC=2)=C1C(=O)C1=CC=C(Cl)C=C1Cl"	"?"	"InChI=1S/C20H16Cl2N2O3/c1-12-18(19(26)15-9-8-14(21)10-16(15)22)20(24(2)23-12)27-11-17(25)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3"	"FKERUJTUOYLBKB-UHFFFAOYSA-N"	FALSE	FALSE	1644	3	4
"7158-32-9"	"DTXSID60221810"	"Benzoyl chloride, p,p'-oxybis-"	"EPA_DSSTox"	"O=C(Cl)C1C=CC(=CC=1)OC1C=CC(=CC=1)C(=O)Cl"	"?"	"InChI=1S/C14H8Cl2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H"	"OSUWBBMPVXVSOA-UHFFFAOYSA-N"	FALSE	TRUE	8700	4	5
"71617-10-2"	"DTXSID1046055"	"Amiloxate"	"EPA_DSSTox"	"COC1=CC=C(C=CC(=O)OCCC(C)C)C=C1"	"?"	"InChI=1S/C15H20O3/c1-12(2)10-11-18-15(16)9-6-13-4-7-14(17-3)8-5-13/h4-9,12H,10-11H2,1-3H3"	"UBNYRXMKIIGMKK-UHFFFAOYSA-N"	FALSE	TRUE	9600	4	5
"71626-11-4"	"DTXSID3041619"	"Benalaxyl"	"EPA_DSSTox"	"CC1C=CC=C(C)C=1N(C(C)C(=O)OC)C(=O)CC1C=CC=CC=1"	"?"	"InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3"	"CJPQIRJHIZUAQP-UHFFFAOYSA-N"	FALSE	TRUE	4200	3	5
"71653-63-9"	"DTXSID5046148"	"Riodipine"	"EPA_DSSTox"	"COC(=O)C1C(C(C(=O)OC)=C(C)NC=1C)C1C=CC=CC=1OC(F)F"	"?"	"InChI=1S/C18H19F2NO5/c1-9-13(16(22)24-3)15(14(10(2)21-9)17(23)25-4)11-7-5-6-8-12(11)26-18(19)20/h5-8,15,18,21H,1-4H3"	"AZVFIZVKGSPGPK-UHFFFAOYSA-N"	FALSE	TRUE	6320	4	5
"71675-87-1"	NA	NA	"Public_CrossChecked"	"CCS(=O)(=O)C1C=C(C(O)=O)C(=CC=1N)OC"	"?"	"InChI=1S/C10H13NO5S/c1-3-17(14,15)9-4-6(10(12)13)8(16-2)5-7(9)11/h4-5H,3,11H2,1-2H3,(H,12,13)"	"OJVNCXHGGYYOPH-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"71697-59-1"	"DTXSID8058168"	"theta-Cypermethrin"	"EPA_DSSTox"	"CC1(C)C(C1C=C(Cl)Cl)C(=O)OC(C#N)C1C=C(C=CC=1)OC1C=CC=CC=1"	"?"	"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"	FALSE	TRUE	5001	4	5
"7173-51-5"	"DTXSID9032537"	"Didecyldimethylammonium chloride"	"EPA_DSSTox"	"C[N+](C)(CCCCCCCCCC)CCCCCCCCCC"	"[Cl-]"	"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"	FALSE	FALSE	84	2	3
"7173-62-8"	"DTXSID0027644"	"1,3-Propanediamine, N-(9Z)-9-octadecenyl-"	"EPA_DSSTox"	"CCCCCCCCC=CCCCCCCCCNCCCN"	"?"	"InChI=1S/C21H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h9-10,23H,2-8,11-22H2,1H3"	"TUFJPPAQOXUHRI-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"71731-58-3"	"DTXSID2046757"	"Tiquizium bromide"	"EPA_DSSTox"	"C[N+]12CC(CCC1CCCC2)=C(C1=CC=CS1)C1=CC=CS1"	"[Br-]"	"InChI=1S/C19H24NS2/c1-20-11-3-2-6-16(20)10-9-15(14-20)19(17-7-4-12-21-17)18-8-5-13-22-18/h4-5,7-8,12-13,16H,2-3,6,9-11,14H2,1H3/q+1"	"ZGSDGGRVFIYKKE-UHFFFAOYSA-N"	FALSE	FALSE	1177	3	4
"71753-20-3"	"DTXSID80221978"	"o-Toluamide, N-(2-thiazolidinylidene)-"	"EPA_DSSTox"	"CC1=CC=CC=C1C(=O)NC1=NCCS1"	"?"	"InChI=1S/C11H12N2OS/c1-8-4-2-3-5-9(8)10(14)13-11-12-6-7-15-11/h2-5H,6-7H2,1H3,(H,12,13,14)"	"OADXJIWNZPDXSQ-UHFFFAOYSA-N"	FALSE	FALSE	912	3	4
"7177-48-2"	"DTXSID9020083"	"Ampicillin trihydrate"	"EPA_DSSTox"	"CC1(C)SC2C(NC(=O)C(N)C3C=CC=CC=3)C(=O)N2C1C(O)=O"	"O.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"	FALSE	TRUE	10000	4	5
"718-43-4"	"DTXSID30222051"	"s-Triazine, 2-amino-4-(m-chloroanilino)-"	"EPA_DSSTox"	"NC1=NC(NC2=CC(Cl)=CC=C2)=NC=N1"	"?"	"InChI=1S/C9H8ClN5/c10-6-2-1-3-7(4-6)14-9-13-5-12-8(11)15-9/h1-5H,(H3,11,12,13,14,15)"	"VCOVYIZDTWXVSB-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"71821-17-5"	NA	NA	"Public_CrossChecked"	"ClC1=CC(Cl)=C(C=C1)C(CN1C=NC=C1)OCSC1C=CC(Cl)=CC=1"	"[N+](=O)(O)[O-]"	"InChI=1S/C18H15Cl3N2OS/c19-13-1-4-15(5-2-13)25-12-24-18(10-23-8-7-22-11-23)16-6-3-14(20)9-17(16)21/h1-9,11,18H,10,12H2"	"FNWMECORJWYOIX-UHFFFAOYSA-N"	FALSE	TRUE	3850	3	5
"71850-03-8"	"DTXSID60222120"	"Decanedioic acid, bis(2-methoxyethyl) ester"	"EPA_DSSTox"	"COCCOC(=O)CCCCCCCCC(=O)OCCOC"	"?"	"InChI=1S/C16H30O6/c1-19-11-13-21-15(17)9-7-5-3-4-6-8-10-16(18)22-14-12-20-2/h3-14H2,1-2H3"	"JGDURTCBAJOZDJ-UHFFFAOYSA-N"	FALSE	TRUE	4970	3	5
"71868-10-5"	"DTXSID8038857"	"2-Methyl-4'-(methylthio)-2-morpholinopropiophenone"	"EPA_DSSTox"	"CSC1C=CC(=CC=1)C(=O)C(C)(C)N1CCOCC1"	"?"	"InChI=1S/C15H21NO2S/c1-15(2,16-8-10-18-11-9-16)14(17)12-4-6-13(19-3)7-5-12/h4-7H,8-11H2,1-3H3"	"LWRBVKNFOYUCNP-UHFFFAOYSA-N"	FALSE	FALSE	1456	3	4
"71878-19-8"	"DTXSID8044258"	"Chimassorb 944"	"EPA_DSSTox"	"CC(C)(C)CC(C)(C)NC1=NC=NC(=N1)N(CCCCCCNC1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1"	"?"	"InChI=1S/C35H68N8/c1-30(2,3)24-35(12,13)40-28-37-25-38-29(39-28)43(27-22-33(8,9)42-34(10,11)23-27)19-17-15-14-16-18-36-26-20-31(4,5)41-32(6,7)21-26/h25-27,36,41-42H,14-24H2,1-13H3,(H,37,38,39,40)"	"LZVMGBSAHNBBOW-UHFFFAOYSA-N"	FALSE	TRUE	9910	4	5
"719-80-2"	"DTXSID60222160"	"Ethyl diphenylphosphinite"	"EPA_DSSTox"	"CCOP(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C14H15OP/c1-2-15-16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3"	"JCRCPEDXAHDCAJ-UHFFFAOYSA-N"	FALSE	FALSE	316	2	4
"71902-23-3"	"DTXSID8072457"	"6-(Isononanoylamino)hexanoic acid"	"EPA_DSSTox"	"CC(C)CCCCCC(=O)NCCCCCC(O)=O"	"?"	"InChI=1S/C15H29NO3/c1-13(2)9-5-3-6-10-14(17)16-12-8-4-7-11-15(18)19/h13H,3-12H2,1-2H3,(H,16,17)(H,18,19)"	"KWAKSEGGFHCMJS-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"7195-27-9"	"DTXSID0048844"	"Mefruside"	"EPA_DSSTox"	"CN(CC1(C)CCCO1)S(=O)(=O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O"	"?"	"InChI=1S/C13H19ClN2O5S2/c1-13(6-3-7-21-13)9-16(2)23(19,20)10-4-5-11(14)12(8-10)22(15,17)18/h4-5,8H,3,6-7,9H2,1-2H3,(H2,15,17,18)"	"SMNOERSLNYGGOU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"7195-43-9"	"DTXSID7025473"	"Isophthalic diglycidyl ester"	"EPA_DSSTox"	"O=C(OCC1CO1)C1C=C(C=CC=1)C(=O)OCC1CO1"	"?"	"InChI=1S/C14H14O6/c15-13(19-7-11-5-17-11)9-2-1-3-10(4-9)14(16)20-8-12-6-18-12/h1-4,11-12H,5-8H2"	"ZXOATMQSUNJNNG-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"7195-45-1"	NA	NA	"Public_CrossChecked"	"O=C(OCC1CO1)C1C=CC=CC=1C(=O)OCC1CO1"	"?"	"InChI=1S/C14H14O6/c15-13(19-7-9-5-17-9)11-3-1-2-4-12(11)14(16)20-8-10-6-18-10/h1-4,9-10H,5-8H2"	"JRPRCOLKIYRSNH-UHFFFAOYSA-N"	FALSE	FALSE	1245	3	4
"71953-72-5"	NA	NA	"Public_CrossChecked"	"CCC(C(CC)C1=CC(O)=CC=C1)C1=CC(O)=CC=C1"	"?"	"InChI=1S/C18H22O2/c1-3-17(13-7-5-9-15(19)11-13)18(4-2)14-8-6-10-16(20)12-14/h5-12,17-20H,3-4H2,1-2H3"	"KUJAWCSIKNKXLL-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"7199-29-3"	"DTXSID6046551"	"Cyheptamide"	"EPA_DSSTox"	"NC(=O)C1C2C=CC=CC=2CCC2C=CC=CC=21"	"?"	"InChI=1S/C16H15NO/c17-16(18)15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H2,17,18)"	"APBVLLORZMAWKI-UHFFFAOYSA-N"	FALSE	TRUE	2400	3	5
"72-17-3"	"DTXSID6052829"	"Sodium dl-lactate"	"EPA_DSSTox"	"CC(O)C(O)=O"	"[Na+]"	"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)"	"JVTAAEKCZFNVCJ-UHFFFAOYSA-N"	FALSE	TRUE	3543	3	5
"72-18-4"	"DTXSID40883233"	"L-Valine"	"EPA_DSSTox"	"CC(C)C(N)C(O)=O"	"?"	"InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)"	"KZSNJWFQEVHDMF-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"72-33-3"	"DTXSID0020814"	"Mestranol"	"EPA_DSSTox"	"CC12CCC3C(CCC4C=C(C=CC=43)OC)C1CCC2(O)C#C"	"?"	"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"	FALSE	TRUE	NA	4	5
"72-44-6"	"DTXSID7023279"	"Methaqualone"	"EPA_DSSTox"	"CC1C=CC=CC=1N1C(=O)C2C=CC=CC=2N=C1C"	"?"	"InChI=1S/C16H14N2O/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19/h3-10H,1-2H3"	"JEYCTXHKTXCGPB-UHFFFAOYSA-N"	FALSE	FALSE	185	2	3
"72-54-8"	"DTXSID4020373"	"p,p'-DDD"	"EPA_DSSTox"	"ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1"	"?"	"InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H"	"AHJKRLASYNVKDZ-UHFFFAOYSA-N"	FALSE	FALSE	113	2	3
"72-55-9"	"DTXSID9020374"	"p,p'-DDE"	"EPA_DSSTox"	"ClC(Cl)=C(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H"	"UCNVFOCBFJOQAL-UHFFFAOYSA-N"	FALSE	FALSE	880	3	4
"72-56-0"	"DTXSID4020589"	"p,p'-Ethyl-DDD"	"EPA_DSSTox"	"CCC1=CC=C(C=C1)C(C(Cl)Cl)C1=CC=C(CC)C=C1"	"?"	"InChI=1S/C18H20Cl2/c1-3-13-5-9-15(10-6-13)17(18(19)20)16-11-7-14(4-2)8-12-16/h5-12,17-18H,3-4H2,1-2H3"	"QFMDFTQOJHFVNR-UHFFFAOYSA-N"	FALSE	TRUE	6600	4	5
"72-57-1"	"DTXSID4026268"	"C.I. Direct Blue 14"	"EPA_DSSTox"	"CC1C=C(C=CC=1N=NC1=C(C=C2C=C(C=C(N)C2=C1O)S(O)(=O)=O)S(O)(=O)=O)C1=CC(C)=C(C=C1)N=NC1=C(C=C2C=C(C=C(N)C2=C1O)S(O)(=O)=O)S(O)(=O)=O"	"[Na+].[Na+].[Na+].[Na+]"	"InChI=1S/C34H28N6O14S4/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)"	"ZBNARPCCDMHDDV-UHFFFAOYSA-N"	FALSE	TRUE	6200	4	5
"72-63-9"	"DTXSID2023276"	"Methandrostenolone"	"EPA_DSSTox"	"CC12CCC3C(CCC4=CC(=O)C=CC43C)C1CCC2(C)O"	"?"	"InChI=1S/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3"	"XWALNWXLMVGSFR-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"72-80-0"	"DTXSID3048998"	"5,7-Dichloro-8-hydroxy-2-methylquinoline"	"EPA_DSSTox"	"CC1C=CC2C(N=1)=C(O)C(Cl)=CC=2Cl"	"?"	"InChI=1S/C10H7Cl2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3"	"GPTXWRGISTZRIO-UHFFFAOYSA-N"	FALSE	FALSE	660	3	4
"720-94-5"	"DTXSID00338613"	"4,4,4-Trifluoro-1-(4-methylphenyl)butane-1,3-dione"	"EPA_DSSTox"	"CC1C=CC(=CC=1)C(=O)CC(=O)C(F)(F)F"	"?"	"InChI=1S/C11H9F3O2/c1-7-2-4-8(5-3-7)9(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3"	"WRZMHTIRFOFFPY-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"7203-89-6"	NA	NA	"Public_CrossChecked"	"CC1C=CC(=CC=1)N=NN(C)C"	"?"	"InChI=1S/C9H13N3/c1-8-4-6-9(7-5-8)10-11-12(2)3/h4-7H,1-3H3"	"PSNZDNVJMNLFKA-UHFFFAOYSA-N"	FALSE	FALSE	395	2	4
"7203-90-9"	NA	NA	"Public_CrossChecked"	"CN(C)N=NC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C8H10ClN3/c1-12(2)11-10-8-5-3-7(9)4-6-8/h3-6H,1-2H3"	"JZGUQAMYFQKVSO-UHFFFAOYSA-N"	FALSE	FALSE	362	2	4
"7203-95-4"	NA	NA	"Public_CrossChecked"	"CN(C)N=NC1C=CC(=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C14H15N3/c1-17(2)16-15-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,1-2H3"	"WIPXHMSXTWJKCY-UHFFFAOYSA-N"	FALSE	FALSE	347	2	4
"72051-45-7"	NA	NA	"Public_CrossChecked"	"CC1C=CC(=CC=1)SCOC(CN1C=NC=C1)C1C=CC(Cl)=CC=1Cl"	"[N+](=O)(O)[O-]"	"InChI=1S/C19H18Cl2N2OS/c1-14-2-5-16(6-3-14)25-13-24-19(11-23-9-8-22-12-23)17-7-4-15(20)10-18(17)21/h2-10,12,19H,11,13H2,1H3"	"XTJPHNAVZRFXFA-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"721-26-6"	NA	NA	"Public_CrossChecked"	"CC(C)(OO)C1C=C(C=CC=1)C(C)(C)OO"	"?"	"InChI=1S/C12H18O4/c1-11(2,15-13)9-6-5-7-10(8-9)12(3,4)16-14/h5-8,13-14H,1-4H3"	"IROSBXFYXRIPRU-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"7212-44-4"	"DTXSID3022247"	"Nerolidol"	"EPA_DSSTox"	"CC(C)=CCCC(C)=CCCC(C)(O)C=C"	"?"	"InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3"	"FQTLCLSUCSAZDY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"72150-17-5"	NA	NA	"Public_CrossChecked"	"CN1CC2CC3=CC=C(O)C=C3C(C)(C2)CC1"	"Br"	"InChI=1S/C15H21NO/c1-15-5-6-16(2)10-11(9-15)7-12-3-4-13(17)8-14(12)15/h3-4,8,11,17H,5-7,9-10H2,1-2H3"	"ZOWQTJXNFTWSCS-UHFFFAOYSA-N"	FALSE	FALSE	320	2	4
"72162-46-0"	"DTXSID4072526"	"1,3-Propanediamine, N-[3-(isodecyloxy)propyl]-"	"EPA_DSSTox"	"CC(C)CCCCCCCOCCCNCCCN"	"?"	"InChI=1S/C16H36N2O/c1-16(2)10-6-4-3-5-7-14-19-15-9-13-18-12-8-11-17/h16,18H,3-15,17H2,1-2H3"	"LMVFSACRPDMFSQ-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"7217-59-6"	"DTXSID0064595"	"Benzenethiol, 2-methoxy-"	"EPA_DSSTox"	"COC1C=CC=CC=1S"	"?"	"InChI=1S/C7H8OS/c1-8-6-4-2-3-5-7(6)9/h2-5,9H,1H3"	"DSCJETUEDFKYGN-UHFFFAOYSA-N"	FALSE	FALSE	1740	3	4
"72178-02-0"	"DTXSID7024112"	"Fomesafen"	"EPA_DSSTox"	"CS(=O)(=O)NC(=O)C1C=C(C=CC=1[N+]([O-])=O)OC1C=CC(=CC=1Cl)C(F)(F)F"	"?"	"InChI=1S/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22)"	"BGZZWXTVIYUUEY-UHFFFAOYSA-N"	FALSE	FALSE	1250	3	4
"72221-66-0"	NA	NA	"Public_CrossChecked"	"CC(C)CC1=CC=CC2=C1C=CC=C2CC(O)=O"	"?"	"InChI=1S/C16H18O2/c1-11(2)9-12-5-3-8-15-13(10-16(17)18)6-4-7-14(12)15/h3-8,11H,9-10H2,1-2H3,(H,17,18)"	"MJPDFVFWDUWGPQ-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"72239-30-6"	"DTXSID40222567"	"2-Thiazoline, 2-((p-methylbenzyl)amino)-"	"EPA_DSSTox"	"CC1=CC=C(CNC2=NCCS2)C=C1"	"?"	"InChI=1S/C11H14N2S/c1-9-2-4-10(5-3-9)8-13-11-12-6-7-14-11/h2-5H,6-8H2,1H3,(H,12,13)"	"SENJFYMMZYUKHS-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"72239-31-7"	"DTXSID00222568"	"Thiazolamine, 4,5-dihydro-N-((4-bromophenyl)methyl)-"	"EPA_DSSTox"	"BrC1=CC=C(CNC2=NCCS2)C=C1"	"?"	"InChI=1S/C10H11BrN2S/c11-9-3-1-8(2-4-9)7-13-10-12-5-6-14-10/h1-4H,5-7H2,(H,12,13)"	"WQZBFPFJYHBVHE-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"72239-32-8"	"DTXSID60222569"	"2-Thiazoline, 2-((o-methylbenzyl)amino)-"	"EPA_DSSTox"	"CC1=CC=CC=C1CNC1=NCCS1"	"?"	"InChI=1S/C11H14N2S/c1-9-4-2-3-5-10(9)8-13-11-12-6-7-14-11/h2-5H,6-8H2,1H3,(H,12,13)"	"XKHYNSGLWAWLMO-UHFFFAOYSA-N"	FALSE	FALSE	164	2	3
"72239-33-9"	"DTXSID70222570"	"2-Thiazoline, 2-((m-trifluoromethylbenzyl)amino)-"	"EPA_DSSTox"	"FC(F)(F)C1=CC(CNC2=NCCS2)=CC=C1"	"?"	"InChI=1S/C11H11F3N2S/c12-11(13,14)9-3-1-2-8(6-9)7-16-10-15-4-5-17-10/h1-3,6H,4-5,7H2,(H,15,16)"	"NXFOBXJAZZAGPB-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"72239-35-1"	"DTXSID90222572"	"2-Thiazoline, 2-((cyclohexylmethyl)amino)-"	"EPA_DSSTox"	"C(NC1=NCCS1)C1CCCCC1"	"?"	"InChI=1S/C10H18N2S/c1-2-4-9(5-3-1)8-12-10-11-6-7-13-10/h9H,1-8H2,(H,11,12)"	"KIBIZCCCSVLYSL-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"7226-23-5"	"DTXSID3074575"	"2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-"	"EPA_DSSTox"	"CN1CCCN(C)C1=O"	"?"	"InChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3"	"GUVUOGQBMYCBQP-UHFFFAOYSA-N"	FALSE	FALSE	1770	3	4
"7227-91-0"	"DTXSID5021128"	"1-Phenyl-3,3-dimethyltriazene"	"EPA_DSSTox"	"CN(C)N=NC1C=CC=CC=1"	"?"	"InChI=1S/C8H11N3/c1-11(2)10-9-8-6-4-3-5-7-8/h3-7H,1-2H3"	"LLROQAGEAVDYFP-UHFFFAOYSA-N"	FALSE	FALSE	310	2	4
"7227-92-1"	NA	NA	"Public_CrossChecked"	"CN(C)N=NC1C=CC(=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C8H10N4O2/c1-11(2)10-9-7-3-5-8(6-4-7)12(13)14/h3-6H,1-2H3"	"KUUFZOFMKVIAAW-UHFFFAOYSA-N"	FALSE	FALSE	1664	3	4
"723-46-6"	"DTXSID8026064"	"Sulfamethoxazole"	"EPA_DSSTox"	"CC1=CC(NS(=O)(=O)C2C=CC(N)=CC=2)=NO1"	"?"	"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"	FALSE	TRUE	6200	4	5
"7231-31-4"	"DTXSID30222657"	"Pyrazole, 3-propyl-"	"EPA_DSSTox"	"CCCC1=CC=NN1"	"?"	"InChI=1S/C6H10N2/c1-2-3-6-4-5-7-8-6/h4-5H,2-3H2,1H3,(H,7,8)"	"QBNRQCHCKIIYGV-UHFFFAOYSA-N"	FALSE	FALSE	616	3	4
"72322-15-7"	NA	NA	"Public_CrossChecked"	"CC(C1=CC2CC3=CC=CC=C3C=2C=C1)S(=O)CC(O)=O"	"?"	"InChI=1S/C17H16O3S/c1-11(21(20)10-17(18)19)12-6-7-16-14(8-12)9-13-4-2-3-5-15(13)16/h2-8,11H,9-10H2,1H3,(H,18,19)"	"TVYAXEKVOBWADF-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"72324-18-6"	"DTXSID00868127"	"Stepronin"	"EPA_DSSTox"	"CC(SC(=O)C1=CC=CS1)C(=O)NCC(O)=O"	"?"	"InChI=1S/C10H11NO4S2/c1-6(9(14)11-5-8(12)13)17-10(15)7-3-2-4-16-7/h2-4,6H,5H2,1H3,(H,11,14)(H,12,13)"	"JNYSEDHQJCOWQU-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"7235-40-7"	"DTXSID3020253"	"beta-Carotene"	"EPA_DSSTox"	"CC1(C)CCCC(C)=C1C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C"	"?"	"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3"	"OENHQHLEOONYIE-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"72353-29-8"	NA	NA	"Public_CrossChecked"	"CC(SCC(O)=O)C1=CC2CC3=CC=CC=C3C=2C=C1"	"?"	"InChI=1S/C17H16O2S/c1-11(20-10-17(18)19)12-6-7-16-14(8-12)9-13-4-2-3-5-15(13)16/h2-8,11H,9-10H2,1H3,(H,18,19)"	"LSIFHDCVJSZXJI-UHFFFAOYSA-N"	FALSE	FALSE	1905	3	4
"72353-31-2"	NA	NA	"Public_CrossChecked"	"CC(SCC(O)=O)C1=CC2CC3=CC=CC=C3C=2C=C1"	"?"	"InChI=1S/C17H16O2S/c1-11(20-10-17(18)19)12-6-7-16-14(8-12)9-13-4-2-3-5-15(13)16/h2-8,11H,9-10H2,1H3,(H,18,19)"	"LSIFHDCVJSZXJI-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"72361-00-3"	"DTXSID30222677"	"Serine, p-nitrophenyl-"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC(=CC=1)NC(CO)C(O)=O"	"?"	"InChI=1S/C9H10N2O5/c12-5-8(9(13)14)10-6-1-3-7(4-2-6)11(15)16/h1-4,8,10,12H,5H2,(H,13,14)"	"WLZQSOUQRZKSBM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"72364-91-1"	"DTXSID50222679"	"Brl 22321"	"EPA_DSSTox"	"CC1C=C2C(=CC=1C)C(=O)C1=NNN=C1C2=O"	"?"	"InChI=1S/C12H9N3O2/c1-5-3-7-8(4-6(5)2)12(17)10-9(11(7)16)13-15-14-10/h3-4H,1-2H3,(H,13,14,15)"	"ACMSQMLLTIBBEG-UHFFFAOYSA-N"	FALSE	FALSE	980	3	4
"7237-81-2"	"DTXSID60222680"	"Hepronicate"	"EPA_DSSTox"	"CCCCCCC(COC(=O)C1=CN=CC=C1)(COC(=O)C1=CN=CC=C1)COC(=O)C1=CN=CC=C1"	"?"	"InChI=1S/C28H31N3O6/c1-2-3-4-5-12-28(19-35-25(32)22-9-6-13-29-16-22,20-36-26(33)23-10-7-14-30-17-23)21-37-27(34)24-11-8-15-31-18-24/h6-11,13-18H,2-5,12,19-21H2,1H3"	"GUIBJJJLGSYNKE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"7237-83-4"	NA	NA	"Public_CrossChecked"	"O=C(OCC1CO1)C1=CC=C(C=C1C(=O)OCC1CO1)C(=O)OCC1CO1"	"?"	"InChI=1S/C18H18O9/c19-16(25-7-11-4-22-11)10-1-2-14(17(20)26-8-12-5-23-12)15(3-10)18(21)27-9-13-6-24-13/h1-3,11-13H,4-9H2"	"YNOWBNNLZSSIHM-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"7239-21-6"	NA	NA	"Public_CrossChecked"	"CN(C)N=NC1C=CC(Br)=CC=1"	"?"	"InChI=1S/C8H10BrN3/c1-12(2)11-10-8-5-3-7(9)4-6-8/h3-6H,1-2H3"	"LFGYQNAHFGPILM-UHFFFAOYSA-N"	FALSE	FALSE	423	2	4
"72391-46-9"	"DTXSID5058197"	"Chlozolinate"	"EPA_DSSTox"	"CCOC(=O)C1(C)OC(=O)N(C2C=C(Cl)C=C(Cl)C=2)C1=O"	"?"	"InChI=1S/C13H11Cl2NO5/c1-3-20-11(18)13(2)10(17)16(12(19)21-13)9-5-7(14)4-8(15)6-9/h4-6H,3H2,1-2H3"	"IGUYEXXAGBDLLX-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"724-18-5"	"DTXSID10222695"	"Benzhydrylurea"	"EPA_DSSTox"	"NC(=O)NC(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C14H14N2O/c15-14(17)16-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H3,15,16,17)"	"NEBHYUQDMJXPPF-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"72420-38-3"	"DTXSID9045685"	"Acifran"	"EPA_DSSTox"	"CC1(OC(=CC1=O)C(O)=O)C1C=CC=CC=1"	"?"	"InChI=1S/C12H10O4/c1-12(8-5-3-2-4-6-8)10(13)7-9(16-12)11(14)15/h2-7H,1H3,(H,14,15)"	"DFDGRKNOFOJBAJ-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"72432-10-1"	"DTXSID5045128"	"Aniracetam"	"EPA_DSSTox"	"COC1C=CC(=CC=1)C(=O)N1CCCC1=O"	"?"	"InChI=1S/C12H13NO3/c1-16-10-6-4-9(5-7-10)12(15)13-8-2-3-11(13)14/h4-7H,2-3,8H2,1H3"	"ZXNRTKGTQJPIJK-UHFFFAOYSA-N"	FALSE	TRUE	4500	3	5
"7246-21-1"	"DTXSID2023729"	"Sodium tyropanoate"	"EPA_DSSTox"	"CCC(CC1=C(I)C=C(I)C(NC(=O)CCC)=C1I)C(O)=O"	"[Na+]"	"InChI=1S/C15H18I3NO3/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22)"	"YMOXVLQZFAUUKI-UHFFFAOYSA-N"	FALSE	TRUE	6500	4	5
"72468-85-0"	NA	NA	"Public_CrossChecked"	"CN1CCN(CCCCOC2C=CC=CC=2C=CC2C=CC=CC=2)CC1"	"Cl.Cl"	"InChI=1S/C23H30N2O/c1-24-16-18-25(19-17-24)15-7-8-20-26-23-12-6-5-11-22(23)14-13-21-9-3-2-4-10-21/h2-6,9-14H,7-8,15-20H2,1H3"	"HAKLQTHHIPSGRP-UHFFFAOYSA-N"	FALSE	TRUE	2300	3	5
"72492-12-7"	NA	NA	"Public_CrossChecked"	"CC(=O)C1=CC2=C(C=C1)OC1(CC1)C2=O"	"?"	"InChI=1S/C12H10O3/c1-7(13)8-2-3-10-9(6-8)11(14)12(15-10)4-5-12/h2-3,6H,4-5H2,1H3"	"SETMGIIITGNLAS-UHFFFAOYSA-N"	FALSE	TRUE	5440	4	5
"7250-71-7"	NA	NA	"Public_CrossChecked"	"CC(=O)OCC(COC1C=CC=CC=1)OC(C)=O"	"?"	"InChI=1S/C13H16O5/c1-10(14)16-8-13(18-11(2)15)9-17-12-6-4-3-5-7-12/h3-7,13H,8-9H2,1-2H3"	"MFUHTALWGBAVOL-UHFFFAOYSA-N"	FALSE	TRUE	5250	4	5
"72542-60-0"	NA	NA	"Public_CrossChecked"	"CN(SN(C1CCCCC1)P1(=S)OCC(CO1)(CC)CC)C(=O)ON=C(C)SC"	"?"	"InChI=1S/C18H34N3O4PS3/c1-6-18(7-2)13-23-26(27,24-14-18)21(16-11-9-8-10-12-16)29-20(4)17(22)25-19-15(3)28-5/h16H,6-14H2,1-5H3"	"IQUAKIRDXLNOSY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"72542-61-1"	NA	NA	"Public_CrossChecked"	"CN(SN(C(C)C)P1(=S)OCCCO1)C(=O)ON=C(C)SC"	"?"	"InChI=1S/C11H22N3O4PS3/c1-9(2)14(19(20)16-7-6-8-17-19)22-13(4)11(15)18-12-10(3)21-5/h9H,6-8H2,1-5H3"	"GPDLCQIVQQFXGE-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"72558-82-8"	"DTXSID5022770"	"Ceftazidime"	"EPA_DSSTox"	"CC(C)(ON=C(C1=CSC(N)=N1)C(=O)NC1C2SCC(C[N+]3C=CC=CC=3)=C(C(O)=O)N2C1=O)C(O)=O"	"?"	"InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/p+1"	"ORFOPKXBNMVMKC-UHFFFAOYSA-O"	FALSE	TRUE	NA	4	5
"72559-06-9"	"DTXSID0033960"	"Rifabutin"	"EPA_DSSTox"	"CC12OC3=C(C1=O)C1=C(C(=O)C(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(C=CO2)OC)=C2NC4(CCN(CC(C)C)CC4)N=C21)C(O)=C3C |c:17|"	"?"	"InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,49,52-54H,16-19,21H2,1-11H3,(H,47,57)/b13-12?,20-15?,24-14-"	"ATEBXHFBFRCZMA-BGCXWKQQSA-N"	FALSE	TRUE	NA	4	5
"72575-46-3"	NA	NA	"Public_CrossChecked"	"CN(C)C1CC(OC2C=CC(=CC=2)[N+]([O-])=O)C2C=CC=CC=2CC1"	"C(=C/C(=O)[O-])\C(=O)O"	"InChI=1S/C19H22N2O3/c1-20(2)16-8-7-14-5-3-4-6-18(14)19(13-16)24-17-11-9-15(10-12-17)21(22)23/h3-6,9-12,16,19H,7-8,13H2,1-2H3"	"ASNYPHGOFQAGQM-UHFFFAOYSA-N"	FALSE	FALSE	534	3	4
"72576-80-8"	"DTXSID70222898"	"Hexadecanoic acid, isooctadecyl ester"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C"	"?"	"InChI=1S/C34H68O2/c1-4-5-6-7-8-9-10-12-16-19-22-25-28-31-34(35)36-32-29-26-23-20-17-14-11-13-15-18-21-24-27-30-33(2)3/h33H,4-32H2,1-3H3"	"SAMYFBLRCRWESN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"72590-77-3"	"DTXSID3048603"	"Hydrocortisone buteprate"	"EPA_DSSTox"	"CCC(=O)OCC(=O)C1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)OC(=O)CCC"	"?"	"InChI=1S/C28H40O7/c1-5-7-24(33)35-28(22(31)16-34-23(32)6-2)13-11-20-19-9-8-17-14-18(29)10-12-26(17,3)25(19)21(30)15-27(20,28)4/h14,19-21,25,30H,5-13,15-16H2,1-4H3"	"FOGXJPFPZOHSQS-UHFFFAOYSA-N"	FALSE	TRUE	5120	4	5
"7260-35-7"	NA	NA	"Public_CrossChecked"	"CCP(=S)(OC1C=C(Cl)C=CC=1Cl)OCC"	"?"	"InChI=1S/C10H13Cl2O2PS/c1-3-13-15(16,4-2)14-10-7-8(11)5-6-9(10)12/h5-7H,3-4H2,1-2H3"	"SYUMSSZKKFACFR-UHFFFAOYSA-N"	TRUE	FALSE	19	1	2
"72619-34-2"	NA	NA	"Public_CrossChecked"	"CC1C=CC2OC3=CC=C(C=C3C(=O)CC=2C=1)C(C)C(O)=O"	"?"	"InChI=1S/C18H16O4/c1-10-3-5-16-13(7-10)9-15(19)14-8-12(11(2)18(20)21)4-6-17(14)22-16/h3-8,11H,9H2,1-2H3,(H,20,21)"	"REHLODZXMGOGQP-UHFFFAOYSA-N"	FALSE	FALSE	147	2	3
"72619-36-4"	"DTXSID40222946"	"Dibenz(b,f)oxepin-2-acetic acid, 10,11-dihydro-8-methyl-11-oxo-"	"EPA_DSSTox"	"CC1C=C2CC(=O)C3=CC(CC(O)=O)=CC=C3OC2=CC=1"	"?"	"InChI=1S/C17H14O4/c1-10-2-4-15-12(6-10)9-14(18)13-7-11(8-17(19)20)3-5-16(13)21-15/h2-7H,8-9H2,1H3,(H,19,20)"	"JFLSORSNGUVQPA-UHFFFAOYSA-N"	FALSE	FALSE	326	2	4
"72619-41-1"	NA	NA	"Public_CrossChecked"	"CC(C1=CC2=C(C=C1)OC1C=CC=CC=1CC2=O)C(=O)OCCOCCO"	"?"	"InChI=1S/C21H22O6/c1-14(21(24)26-11-10-25-9-8-22)15-6-7-20-17(12-15)18(23)13-16-4-2-3-5-19(16)27-20/h2-7,12,14,22H,8-11,13H2,1H3"	"AQVIMIDPDJTEOW-UHFFFAOYSA-N"	FALSE	FALSE	260	2	3
"72619-44-4"	NA	NA	"Public_CrossChecked"	"CC1C=CC2OC3=CC=C(C=C3C(=O)CC=2C=1)C(C)C(=O)OCCOCCO"	"?"	"InChI=1S/C22H24O6/c1-14-3-5-20-17(11-14)13-19(24)18-12-16(4-6-21(18)28-20)15(2)22(25)27-10-9-26-8-7-23/h3-6,11-12,15,23H,7-10,13H2,1-2H3"	"DYDRMBNWRJVVFB-UHFFFAOYSA-N"	FALSE	FALSE	219	2	3
"72684-95-8"	"DTXSID60888169"	"Benzonitrile, 4-hydroxy-3,5-dimethoxy-"	"EPA_DSSTox"	"COC1=CC(=CC(OC)=C1O)C#N"	"?"	"InChI=1S/C9H9NO3/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-4,11H,1-2H3"	"JKPLQGXXESDJLY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"72705-22-7"	"DTXSID8072584"	"Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl-, monoammonium salt"	"EPA_DSSTox"	"CC(=O)CC(=O)NC1=CC(C)=C(C=C1OC)S(O)(=O)=O"	"[NH4+]"	"InChI=1S/C12H15NO6S/c1-7-4-9(13-12(15)5-8(2)14)10(19-3)6-11(7)20(16,17)18/h4,6H,5H2,1-3H3,(H,13,15)(H,16,17,18)"	"YTSYXEDYBAQECZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"72716-26-8"	"DTXSID80223018"	"Potassium myristoyl glutamate"	"EPA_DSSTox"	"CCCCCCCCCCCCCC(=O)NC(CCC(O)=O)C(O)=O"	"[K+].[H+]"	"InChI=1S/C19H35NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)20-16(19(24)25)14-15-18(22)23/h16H,2-15H2,1H3,(H,20,21)(H,22,23)(H,24,25)"	"MTJZWYHTZFVEGI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"72732-56-0"	"DTXSID20223032"	"Piritrexim"	"EPA_DSSTox"	"CC1C2=C(N=CC=1CC1=CC(=CC=C1OC)OC)N=C(N)N=C2N"	"?"	"InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)"	"VJXSSYDSOJBUAV-UHFFFAOYSA-N"	FALSE	FALSE	1168	3	4
"72739-69-6"	"DTXSID30223048"	"4H-1-Benzopyran-6-carboxylic acid, 3-isopropoxy-2-(p-methoxyphenyl)-4-oxo-, sodium salt"	"EPA_DSSTox"	"COC1C=CC(=CC=1)C1OC2C=CC(=CC=2C(=O)C=1OC(C)C)C(O)=O"	"[Na+]"	"InChI=1S/C20H18O6/c1-11(2)25-19-17(21)15-10-13(20(22)23)6-9-16(15)26-18(19)12-4-7-14(24-3)8-5-12/h4-11H,1-3H3,(H,22,23)"	"MMLQCHMMXJUGBX-UHFFFAOYSA-N"	FALSE	FALSE	1480	3	4
"72782-44-6"	"DTXSID20223113"	"Allyl-alpha-allyloxycarbonyloxyacrylate"	"EPA_DSSTox"	"C=C(OC(=O)OCC=C)C(=O)OCC=C"	"?"	"InChI=1S/C10H12O5/c1-4-6-13-9(11)8(3)15-10(12)14-7-5-2/h4-5H,1-3,6-7H2"	"KAXRAOCFCSJAGT-UHFFFAOYSA-N"	FALSE	FALSE	390	2	4
"728-40-5"	"DTXSID4021559"	"2,6-Di-tert-butyl-4-nitrophenol"	"EPA_DSSTox"	"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)[N+]([O-])=O"	"?"	"InChI=1S/C14H21NO3/c1-13(2,3)10-7-9(15(17)18)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3"	"FCGKUUOTWLWJHE-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"7281-04-1"	"DTXSID4048698"	"Benzyldodecyldimethylammonium bromide"	"EPA_DSSTox"	"CCCCCCCCCCCC[N+](C)(C)CC1C=CC=CC=1"	"[Br-]"	"InChI=1S/C21H38N/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21/h13-15,17-18H,4-12,16,19-20H2,1-3H3/q+1"	"CYDRXTMLKJDRQH-UHFFFAOYSA-N"	FALSE	FALSE	230	2	3
"7283-70-7"	NA	NA	"Public_CrossChecked"	"CC(C)OC(=O)C=CC(=O)OC(C)C"	"?"	"InChI=1S/C10H16O4/c1-7(2)13-9(11)5-6-10(12)14-8(3)4/h5-8H,1-4H3"	"FNMTVMWFISHPEV-UHFFFAOYSA-N"	FALSE	TRUE	3250	3	5
"72850-64-7"	"DTXSID5052468"	"Flurazole"	"EPA_DSSTox"	"O=C(OCC1C=CC=CC=1)C1SC(Cl)=NC=1C(F)(F)F"	"?"	"InChI=1S/C12H7ClF3NO2S/c13-11-17-9(12(14,15)16)8(20-11)10(18)19-6-7-4-2-1-3-5-7/h1-5H,6H2"	"MKQSWTQPLLCSOB-UHFFFAOYSA-N"	FALSE	TRUE	5010	4	5
"7286-69-3"	"DTXSID7058171"	"Sebuthylazine"	"EPA_DSSTox"	"CC(CC)/N=C1\NC(Cl)=N/C(/N\1)=N/CC"	"?"	"InChI=1S/C9H16ClN5/c1-4-6(3)12-9-14-7(10)13-8(15-9)11-5-2/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)"	"BZRUVKZGXNSXMB-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"72869-86-4"	NA	NA	"Public_CrossChecked"	"CC(=C)C(=O)OCCOC(=O)NCCC(C)CC(C)(C)CNC(=O)OCCOC(=O)C(C)=C"	"?"	"InChI=1S/C23H38N2O8/c1-16(2)19(26)30-10-12-32-21(28)24-9-8-18(5)14-23(6,7)15-25-22(29)33-13-11-31-20(27)17(3)4/h18H,1,3,8-15H2,2,4-7H3,(H,24,28)(H,25,29)"	"UEKHZPDUBLCUHN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"7287-36-7"	"DTXSID0042163"	"Monalide"	"EPA_DSSTox"	"CCCC(C)(C)C(=O)NC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C13H18ClNO/c1-4-9-13(2,3)12(16)15-11-7-5-10(14)6-8-11/h5-8H,4,9H2,1-3H3,(H,15,16)"	"KXGYBSNVFXBPNO-UHFFFAOYSA-N"	FALSE	TRUE	2600	3	5
"729-99-7"	"DTXSID5023617"	"Sulfamoxole"	"EPA_DSSTox"	"CC1OC(NS(=O)(=O)C2C=CC(N)=CC=2)=NC=1C"	"?"	"InChI=1S/C11H13N3O3S/c1-7-8(2)17-11(13-7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14)"	"CYFLXLSBHQBMFT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"72903-27-6"	"DTXSID0052469"	"Diethyl 1,4-cyclohexanedicarboxylate"	"EPA_DSSTox"	"CCOC(=O)C1CCC(CC1)C(=O)OCC"	"?"	"InChI=1S/C12H20O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h9-10H,3-8H2,1-2H3"	"KRJHRNUTLDTSKY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"7292-16-2"	"DTXSID2058172"	"Propaphos"	"EPA_DSSTox"	"CSC1C=CC(=CC=1)OP(=O)(OCCC)OCCC"	"?"	"InChI=1S/C13H21O4PS/c1-4-10-15-18(14,16-11-5-2)17-12-6-8-13(19-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3"	"PWYIUEFFPNVCMW-UHFFFAOYSA-N"	FALSE	FALSE	61	2	3
"72956-09-3"	"DTXSID8022747"	"Carvedilol"	"EPA_DSSTox"	"COC1C=CC=CC=1OCCNCC(O)COC1=CC=CC2NC3C=CC=CC=3C=21"	"?"	"InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3"	"OGHNVEJMJSYVRP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"72963-72-5"	"DTXSID8034669"	"Imiprothrin"	"EPA_DSSTox"	"CC(C)=CC1C(C(=O)OCN2C(=O)CN(CC#C)C2=O)C1(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"	FALSE	FALSE	900	3	4
"73-05-2"	"DTXSID40223271"	"Phentolamine hydrochloride [USP]"	"EPA_DSSTox"	"CC1C=CC(=CC=1)N(CC1NCCN=1)C1=CC(O)=CC=C1"	"Cl"	"InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)"	"MRBDMNSDAVCSSF-UHFFFAOYSA-N"	FALSE	FALSE	1250	3	4
"73-09-6"	"DTXSID40874489"	"Etozolin"	"EPA_DSSTox"	"CN1C(=O)C(SC1=CC(=O)OCC)N1CCCCC1"	"?"	"InChI=1S/C13H20N2O3S/c1-3-18-11(16)9-10-14(2)12(17)13(19-10)15-7-5-4-6-8-15/h9,13H,3-8H2,1-2H3"	"ZCKKHYXUQFTBIK-UHFFFAOYSA-N"	FALSE	TRUE	10250	4	5
"73-22-3"	"DTXSID5021419"	"l-Tryptophan"	"EPA_DSSTox"	"NC(CC1=CNC2C=CC=CC=21)C(O)=O"	"?"	"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)"	"QIVBCDIJIAJPQS-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"73-24-5"	"DTXSID6022557"	"Adenine"	"EPA_DSSTox"	"NC1=NC=NC2NC=NC=21"	"?"	"InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)"	"GFFGJBXGBJISGV-UHFFFAOYSA-N"	FALSE	FALSE	227	2	3
"73-66-5"	"DTXSID20223274"	"Pyrimidine, 4-amino-5-(ethoxymethyl)-2-methyl-"	"EPA_DSSTox"	"CC1N=C(N)C(COCC)=CN=1"	"?"	"InChI=1S/C8H13N3O/c1-3-12-5-7-4-10-6(2)11-8(7)9/h4H,3,5H2,1-2H3,(H2,9,10,11)"	"KEYFHYRXUHGMLW-UHFFFAOYSA-N"	FALSE	FALSE	1450	3	4
"730-07-4"	NA	NA	"Public_CrossChecked"	"CC(NC1=CC=C(C=C1)OCC)C(=O)NCCC"	"?"	"InChI=1S/C14H22N2O2/c1-4-10-15-14(17)11(3)16-12-6-8-13(9-7-12)18-5-2/h6-9,11,16H,4-5,10H2,1-3H3,(H,15,17)"	"VVUMWAHNKOLVSN-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"7300-34-7"	"DTXSID0064622"	"1-Propanamine, 3,3'-[1,4-butanediylbis(oxy)]bis-"	"EPA_DSSTox"	"NCCCOCCCCOCCCN"	"?"	"InChI=1S/C10H24N2O2/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h1-12H2"	"YOOSAIJKYCBPFW-UHFFFAOYSA-N"	FALSE	TRUE	3450	3	5
"7305-61-5"	"DTXSID50223328"	"Phosphonic acid, ethyl-, monoethyl ester"	"EPA_DSSTox"	"CCP(O)(=O)OCC"	"?"	"InChI=1S/C4H11O3P/c1-3-7-8(5,6)4-2/h3-4H2,1-2H3,(H,5,6)"	"YJCXKNNURGCXFQ-UHFFFAOYSA-N"	FALSE	TRUE	2112	3	5
"7306-46-9"	"DTXSID00223338"	"4-(Chloromethyl)-1,2-dimethoxy benzene"	"EPA_DSSTox"	"COC1=CC=C(CCl)C=C1OC"	"?"	"InChI=1S/C9H11ClO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6H2,1-2H3"	"WWHJLVMBXXXUFO-UHFFFAOYSA-N"	FALSE	TRUE	4700	3	5
"73080-51-0"	"DTXSID10223349"	"Repirinast"	"EPA_DSSTox"	"CC1=CC=C2C(NC(=O)C3=C2OC(=CC3=O)C(=O)OCCC(C)C)=C1C"	"?"	"InChI=1S/C20H21NO5/c1-10(2)7-8-25-20(24)15-9-14(22)16-18(26-15)13-6-5-11(3)12(4)17(13)21-19(16)23/h5-6,9-10H,7-8H2,1-4H3,(H,21,23)"	"NFQIAEMCQGTTIR-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"73090-70-7"	"DTXSID20223355"	"Epiroprim"	"EPA_DSSTox"	"CCOC1C=C(CC2=CN=C(N)N=C2N)C=C(OCC)C=1N1C=CC=C1"	"?"	"InChI=1S/C19H23N5O2/c1-3-25-15-10-13(9-14-12-22-19(21)23-18(14)20)11-16(26-4-2)17(15)24-7-5-6-8-24/h5-8,10-12H,3-4,9H2,1-2H3,(H4,20,21,22,23)"	"NMARPFMJVCXSAV-UHFFFAOYSA-N"	FALSE	FALSE	1419	3	4
"73115-70-5"	"DTXSID20223390"	"Phosphorothioic acid, O,O-bis(1,6-dihydro-5-methoxy-1-methyl-6-oxo-4-pyridazinyl) O-(1-methylethyl) ester"	"EPA_DSSTox"	"CC(C)OP(=S)(OC1C=NN(C)C(=O)C=1OC)OC1C=NN(C)C(=O)C=1OC"	"?"	"InChI=1S/C15H21N4O7PS/c1-9(2)24-27(28,25-10-7-16-18(3)14(20)12(10)22-5)26-11-8-17-19(4)15(21)13(11)23-6/h7-9H,1-6H3"	"HSNVPFSPGRCJQP-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"73151-29-8"	NA	NA	"Public_CrossChecked"	"ClC1C=C(Cl)C=CC=1C(CN1C=NC=C1)OCC1C=CC(=CC=1)SC1C=CC=CC=1"	"[N+](=O)([O-])[O-]"	"InChI=1S/C24H20Cl2N2OS/c25-19-8-11-22(23(26)14-19)24(15-28-13-12-27-17-28)29-16-18-6-9-21(10-7-18)30-20-4-2-1-3-5-20/h1-14,17,24H,15-16H2"	"ZCJYUTQZBAIHBS-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"7319-16-6"	NA	NA	"Public_CrossChecked"	"CC=COC"	"?"	"InChI=1S/C4H8O/c1-3-4-5-2/h3-4H,1-2H3"	"QHMVQKOXILNZQR-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"7319-47-3"	NA	NA	"Public_CrossChecked"	"CC1C(=CN=C2N=C(N)N=C(N)C=12)C(C)CC"	"?"	"InChI=1S/C12H17N5/c1-4-6(2)8-5-15-11-9(7(8)3)10(13)16-12(14)17-11/h5-6H,4H2,1-3H3,(H4,13,14,15,16,17)"	"HKBUPBPYXKXWBQ-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"732-26-3"	"DTXSID2021311"	"2,4,6-Tris(tert-butyl)phenol"	"EPA_DSSTox"	"CC(C)(C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C"	"?"	"InChI=1S/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3"	"PFEFOYRSMXVNEL-UHFFFAOYSA-N"	FALSE	FALSE	1610	3	4
"73218-79-8"	"DTXSID6045749"	"Apraclonidine hydrochloride"	"EPA_DSSTox"	"NC1=CC(Cl)=C(NC2NCCN=2)C(Cl)=C1"	"Cl"	"InChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15)"	"IEJXVRYNEISIKR-UHFFFAOYSA-N"	TRUE	FALSE	38	1	2
"7327-87-9"	"DTXSID10223501"	"Dihydralazine sulfate"	"EPA_DSSTox"	"NNC1=NN=C(NN)C2=CC=CC=C21"	"S(O)(O)(=O)=O"	"InChI=1S/C8H10N6/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7/h1-4H,9-10H2,(H,11,13)(H,12,14)"	"VQKLRVZQQYVIJW-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"7331-25-1"	"DTXSID50223545"	"BW 50-322"	"EPA_DSSTox"	"CC1=NC(N)=NC(N)=C1C1C=CC(Br)=CC=1"	"?"	"InChI=1S/C11H11BrN4/c1-6-9(10(13)16-11(14)15-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H4,13,14,15,16)"	"NVIBTXFGDLIYIR-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"73310-10-8"	"DTXSID7057814"	"Eicosapentaenoic acid ethyl ester"	"EPA_DSSTox"	"CCOC(=O)C=CC=CC=CC=CC=CCCCCCCCCC"	"?"	"InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h12-21H,3-11H2,1-2H3"	"DTEMJWLYSQBXEL-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"73321-74-1"	"DTXSID40223554"	"Vinylbutonate"	"EPA_DSSTox"	"CCCC(=O)OC(=C(Cl)Cl)P(=O)(OC)OC"	"?"	"InChI=1S/C8H13Cl2O5P/c1-4-5-6(11)15-8(7(9)10)16(12,13-2)14-3/h4-5H2,1-3H3"	"MPMYPPQUXDACBU-UHFFFAOYSA-N"	FALSE	FALSE	1095	3	4
"7339-53-9"	"DTXSID40223630"	"Hydrazine, methyl-, hydrochloride"	"EPA_DSSTox"	"CNN"	"Cl"	"InChI=1S/CH6N2/c1-3-2/h3H,2H2,1H3"	"HDZGCSFEDULWCS-UHFFFAOYSA-N"	FALSE	FALSE	58	2	3
"734-88-3"	"DTXSID7061065"	"3H-Naphtho[2,1-b]pyran-2-carboxylic acid, 3-oxo-, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)C1=CC2C(=CC=C3C=CC=CC3=2)OC1=O"	"?"	"InChI=1S/C16H12O4/c1-2-19-15(17)13-9-12-11-6-4-3-5-10(11)7-8-14(12)20-16(13)18/h3-9H,2H2,1H3"	"FYOZSKRVTISLHE-UHFFFAOYSA-N"	FALSE	FALSE	1580	3	4
"7346-61-4"	"DTXSID70884374"	"Phosphorous acid, 2-ethylhexyl octyl phenyl ester"	"EPA_DSSTox"	"CCC(COP(OC1C=CC=CC=1)OCCCCCCCC)CCCC"	"?"	"InChI=1S/C22H39O3P/c1-4-7-9-10-11-15-19-23-26(25-22-17-13-12-14-18-22)24-20-21(6-3)16-8-5-2/h12-14,17-18,21H,4-11,15-16,19-20H2,1-3H3"	"ZIXVBDFLJANKCD-UHFFFAOYSA-N"	FALSE	TRUE	7000	4	5
"7346-79-4"	"DTXSID4064638"	"Acetic acid, compd. with cyclohexanamine (1:1)"	"EPA_DSSTox"	"NC1CCCCC1"	"C(C)(=O)O"	"InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2"	"PAFZNILMFXTMIY-UHFFFAOYSA-N"	FALSE	FALSE	1650	3	4
"7346-91-0"	NA	NA	"Public_CrossChecked"	"OC(=O)CCC(=O)OCC1COC(O1)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C9H11Cl3O6/c10-9(11,12)8-17-4-5(18-8)3-16-7(15)2-1-6(13)14/h5,8H,1-4H2,(H,13,14)"	"KBXJUABJQDXDRZ-UHFFFAOYSA-N"	FALSE	TRUE	3400	3	5
"7348-26-7"	NA	NA	"Public_CrossChecked"	"O=C(OC1CN2CCC1CC2)C1C=CC=CC=1"	"?"	"InChI=1S/C14H17NO2/c16-14(12-4-2-1-3-5-12)17-13-10-15-8-6-11(13)7-9-15/h1-5,11,13H,6-10H2"	"AHKAOMZZTQULDS-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"735-52-4"	NA	NA	"Public_CrossChecked"	"CC(=O)C1C=CC(=CC=1)C(O)C(CO)NC(=O)C(Cl)Cl"	"?"	"InChI=1S/C13H15Cl2NO4/c1-7(18)8-2-4-9(5-3-8)11(19)10(6-17)16-13(20)12(14)15/h2-5,10-12,17,19H,6H2,1H3,(H,16,20)"	"PKUBDVAOXLEWBF-UHFFFAOYSA-N"	FALSE	FALSE	1097	3	4
"73512-92-2"	NA	NA	"Public_CrossChecked"	"CC1=C(CC(=O)OCCCOC(=O)CCC(NC(=O)C2C=CC=CC=2)C(=O)N(CCC)CCC)C2=CC(=CC=C2N1C(=O)C1C=CC(Cl)=CC=1)OC"	"?"	"InChI=1S/C40H46ClN3O8/c1-5-21-43(22-6-2)40(49)34(42-38(47)28-11-8-7-9-12-28)18-20-36(45)51-23-10-24-52-37(46)26-32-27(3)44(35-19-17-31(50-4)25-33(32)35)39(48)29-13-15-30(41)16-14-29/h7-9,11-17,19,25,34H,5-6,10,18,20-24,26H2,1-4H3,(H,42,47)"	"DCSAKGPASAPAIA-UHFFFAOYSA-N"	FALSE	FALSE	605	3	4
"73512-93-3"	NA	NA	"Public_CrossChecked"	"CC1=C(CC(=O)OCCOCCOC(=O)CCC(NC(=O)C2C=CC=CC=2)C(=O)N(CCC)CCC)C2=CC(=CC=C2N1C(=O)C1C=CC(Cl)=CC=1)OC"	"?"	"InChI=1S/C41H48ClN3O9/c1-5-20-44(21-6-2)41(50)35(43-39(48)29-10-8-7-9-11-29)17-19-37(46)53-24-22-52-23-25-54-38(47)27-33-28(3)45(36-18-16-32(51-4)26-34(33)36)40(49)30-12-14-31(42)15-13-30/h7-16,18,26,35H,5-6,17,19-25,27H2,1-4H3,(H,43,48)"	"XLQAWXQZXZOGSE-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"73512-94-4"	NA	NA	"Public_CrossChecked"	"CC1=C(CC(=O)OCC(=O)OCCOC(=O)CCC(NC(=O)C2C=CC=CC=2)C(=O)N(CCC)CCC)C2=CC(=CC=C2N1C(=O)C1C=CC(Cl)=CC=1)OC"	"?"	"InChI=1S/C41H46ClN3O10/c1-5-20-44(21-6-2)41(51)34(43-39(49)28-10-8-7-9-11-28)17-19-36(46)53-22-23-54-38(48)26-55-37(47)25-32-27(3)45(35-18-16-31(52-4)24-33(32)35)40(50)29-12-14-30(42)15-13-29/h7-16,18,24,34H,5-6,17,19-23,25-26H2,1-4H3,(H,43,49)"	"CEVUQSIRFGZGLR-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"73520-99-7"	NA	NA	"Public_CrossChecked"	"CC1=C(CC(=O)OCCN2CCN(CC2)C(=O)CCC(NC(=O)C2C=CC=CC=2)C(=O)N(CCC)CCC)C2=CC(=CC=C2N1C(=O)C1C=CC(Cl)=CC=1)OC"	"C(=O)(C(=O)[O-])O"	"InChI=1S/C43H52ClN5O7/c1-5-20-48(21-6-2)43(54)37(45-41(52)31-10-8-7-9-11-31)17-19-39(50)47-24-22-46(23-25-47)26-27-56-40(51)29-35-30(3)49(38-18-16-34(55-4)28-36(35)38)42(53)32-12-14-33(44)15-13-32/h7-16,18,28,37H,5-6,17,19-27,29H2,1-4H3,(H,45,52)"	"DETKXWJEBZMMNO-UHFFFAOYSA-N"	FALSE	FALSE	315	2	4
"73521-00-3"	NA	NA	"Public_CrossChecked"	"CC1=C(CC(=O)OCCCNC(=O)CCC(NC(=O)C2C=CC=CC=2)C(=O)N(CCC)CCC)C2=CC(=CC=C2N1C(=O)C1C=CC(Cl)=CC=1)OC"	"?"	"InChI=1S/C40H47ClN4O7/c1-5-22-44(23-6-2)40(50)34(43-38(48)28-11-8-7-9-12-28)18-20-36(46)42-21-10-24-52-37(47)26-32-27(3)45(35-19-17-31(51-4)25-33(32)35)39(49)29-13-15-30(41)16-14-29/h7-9,11-17,19,25,34H,5-6,10,18,20-24,26H2,1-4H3,(H,42,46)(H,43,48)"	"CBHVJCYCLIGOFM-UHFFFAOYSA-N"	FALSE	FALSE	370	2	4
"73573-42-9"	"DTXSID2057815"	"Rescimetol"	"EPA_DSSTox"	"COC1C=C(C=CC(=O)OC2CC3CN4CCC5C6C=CC(=CC=6NC=5C4CC3C(C2OC)C(=O)OC)OC)C=CC=1O"	"?"	"InChI=1S/C33H38N2O8/c1-39-20-7-8-21-22-11-12-35-17-19-14-28(43-29(37)10-6-18-5-9-26(36)27(13-18)40-2)32(41-3)30(33(38)42-4)23(19)16-25(35)31(22)34-24(21)15-20/h5-10,13,15,19,23,25,28,30,32,34,36H,11-12,14,16-17H2,1-4H3"	"MMUMZMIKZXSFSD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"73573-87-2"	"DTXSID1023077"	"Formoterol"	"EPA_DSSTox"	"CC(CC1C=CC(=CC=1)OC)NCC(O)C1C=C(NC=O)C(O)=CC=1"	"?"	"InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)"	"BPZSYCZIITTYBL-UHFFFAOYSA-N"	FALSE	TRUE	3130	3	5
"73590-58-6"	"DTXSID6021080"	"Omeprazole"	"EPA_DSSTox"	"CC1C=NC(CS(=O)C2NC3C=CC(=CC=3N=2)OC)=C(C)C=1OC"	"?"	"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"	FALSE	TRUE	2210	3	5
"736-30-1"	"DTXSID2061066"	"Benzene, 1,1'-(1,2-ethanediyl)bis[4-nitro-"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC(CCC2C=CC(=CC=2)[N+]([O-])=O)=CC=1"	"?"	"InChI=1S/C14H12N2O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h3-10H,1-2H2"	"BSNKHEKTRWNNAC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"7361-61-7"	"DTXSID3040643"	"Xylazine"	"EPA_DSSTox"	"CC1C=CC=C(C)C=1NC1=NCCCS1"	"?"	"InChI=1S/C12H16N2S/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12/h3,5-6H,4,7-8H2,1-2H3,(H,13,14)"	"BPICBUSOMSTKRF-UHFFFAOYSA-N"	FALSE	FALSE	130	2	3
"7361-93-5"	NA	NA	"Public_CrossChecked"	"OC(=O)C1C=CC=CC=1N=CC1C=CC=CC1=O"	"?"	"InChI=1S/C14H11NO3/c16-13-8-4-1-5-10(13)9-15-12-7-3-2-6-11(12)14(17)18/h1-10H,(H,17,18)"	"HNBLMFJLWIJHJE-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"73611-02-6"	"DTXSID10448691"	"SCHEMBL9862937"	"EPA_DSSTox"	"CC1(C)C2C(O)OC(=O)C12"	"?"	"InChI=1S/C7H10O3/c1-7(2)3-4(7)6(9)10-5(3)8/h3-5,8H,1-2H3"	"QHAPONCMFJQXEN-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"73612-29-0"	"DTXSID90888415"	"2-Naphthalenecarboxylic acid, 3-hydroxy-4-[2-(4-methyl-2-sulfophenyl)diazenyl]-, strontium salt (1:1)"	"EPA_DSSTox"	"CC1=CC(=C(C=C1)N=NC1=C2C=CC=CC2=CC(=C1O)C(O)=O)S(O)(=O)=O"	"[Sr+2]"	"InChI=1S/C18H14N2O6S/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23/h2-9,21H,1H3,(H,22,23)(H,24,25,26)"	"JYNBEDVXQNFTOX-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"73622-67-0"	NA	NA	"Public_CrossChecked"	"CC(=O)SCC1C=NC(C)=C(O)C=1CSC(C)=O"	"[Br-]"	"InChI=1S/C12H15NO3S2/c1-7-12(16)11(6-18-9(3)15)10(4-13-7)5-17-8(2)14/h4,16H,5-6H2,1-3H3"	"ARDUHCGSOAFUTR-UHFFFAOYSA-N"	FALSE	FALSE	870	3	4
"73637-19-1"	"DTXSID7051426"	"Ethylenediaminetetraacetic acid disodium copper(II) salt trihydrate"	"EPA_DSSTox"	"OC(=O)CN(CC(O)=O)CCN(CC(O)=O)CC(O)=O"	"[Na+].[Na+].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"	FALSE	FALSE	1750	3	4
"73637-20-4"	"DTXSID2051427"	"Ethylenediaminetetraacetic acid disodium manganese(II) salt dihydrate"	"EPA_DSSTox"	"OC(=O)CN(CC(O)=O)CCN(CC(O)=O)CC(O)=O"	"[Na+].[Na+].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"	FALSE	TRUE	5001	4	5
"7365-45-9"	"DTXSID5040382"	"(4-(2-Hydroxyethyl)-1-piperazineethanesulfonic acid"	"EPA_DSSTox"	"OCCN1CCN(CCS(O)(=O)=O)CC1"	"?"	"InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)"	"JKMHFZQWWAIEOD-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"73681-12-6"	"DTXSID60223950"	"Indecainide hydrochloride"	"EPA_DSSTox"	"CC(C)NCCCC1(C(N)=O)C2=CC=CC=C2C2=CC=CC=C12"	"Cl"	"InChI=1S/C20H24N2O/c1-14(2)22-13-7-12-20(19(21)23)17-10-5-3-8-15(17)16-9-4-6-11-18(16)20/h3-6,8-11,14,22H,7,12-13H2,1-2H3,(H2,21,23)"	"UCEWGESNIULAGX-UHFFFAOYSA-N"	FALSE	FALSE	82	2	3
"73688-63-8"	"DTXSID00223959"	"Benzenesulfonic acid, 4,4'-(1,4-anthraquinonylenediiminodiphenyl-1,4-enedioxo)-"	"EPA_DSSTox"	"OS(=O)(=O)C1C=CC(=CC=1)OC1C=CC(=CC=1)NC1=CC=C(NC2C=CC(=CC=2)OC2C=CC(=CC=2)S(O)(=O)=O)C2=C1C(=O)C1=CC=CC=C1C2=O"	"?"	"InChI=1S/C38H26N2O10S2/c41-37-31-3-1-2-4-32(31)38(42)36-34(40-24-7-11-26(12-8-24)50-28-15-19-30(20-16-28)52(46,47)48)22-21-33(35(36)37)39-23-5-9-25(10-6-23)49-27-13-17-29(18-14-27)51(43,44)45/h1-22,39-40H,(H,43,44,45)(H,46,47,48)"	"UOEKODPRJZFGEV-UHFFFAOYSA-N"	FALSE	TRUE	8550	4	5
"73698-58-5"	"DTXSID60223995"	"4-Benzofuranbutyric acid, 2,3-dihydro-7-methoxy-gamma-oxo-, sodium salt"	"EPA_DSSTox"	"COC1=CC=C(C2CCOC=21)C(=O)CCC(O)=O"	"[Na+]"	"InChI=1S/C13H14O5/c1-17-11-4-2-8(9-6-7-18-13(9)11)10(14)3-5-12(15)16/h2,4H,3,5-7H2,1H3,(H,15,16)"	"XVOCWPBJAHUCGH-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"73698-59-6"	"DTXSID20223996"	"4-Benzofuranbutyric acid, 2,3-dimethyl-7-methoxy-gamma-oxo-, sodium salt"	"EPA_DSSTox"	"COC1C=CC(=C2C=1OC(C)=C2C)C(=O)CCC(O)=O"	"[Na+]"	"InChI=1S/C15H16O5/c1-8-9(2)20-15-12(19-3)6-4-10(14(8)15)11(16)5-7-13(17)18/h4,6H,5,7H2,1-3H3,(H,17,18)"	"RPMGWVLPUWNXTH-UHFFFAOYSA-N"	FALSE	TRUE	2180	3	5
"73698-61-0"	"DTXSID40223998"	"4-Benzofuranbutyric acid, 2-ethyl-7-methoxy-3-methyl-gamma-oxo-, sodium salt"	"EPA_DSSTox"	"CC1C2C(=CC=C(OC)C=2OC=1CC)C(=O)CCC(O)=O"	"[Na+]"	"InChI=1S/C16H18O5/c1-4-12-9(2)15-10(11(17)6-8-14(18)19)5-7-13(20-3)16(15)21-12/h5,7H,4,6,8H2,1-3H3,(H,18,19)"	"JDOSTLJKZAGXCU-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"73698-62-1"	"DTXSID00223999"	"4-Benzofuranbutyric acid, 7-methoxy-2-methyl-gamma-oxo-, sodium salt"	"EPA_DSSTox"	"CC1=CC2=C(C=CC(OC)=C2O1)C(=O)CCC(O)=O"	"[Na+]"	"InChI=1S/C14H14O5/c1-8-7-10-9(11(15)4-6-13(16)17)3-5-12(18-2)14(10)19-8/h3,5,7H,4,6H2,1-2H3,(H,16,17)"	"LBRJCNYBXRTXAA-UHFFFAOYSA-N"	FALSE	TRUE	2160	3	5
"73698-63-2"	"DTXSID80224000"	"4-Benzofuranbutyric acid, 7-methoxy-gamma-oxo-, sodium salt"	"EPA_DSSTox"	"COC1C=CC(=C2C=COC=12)C(=O)CCC(O)=O"	"[Na+]"	"InChI=1S/C13H12O5/c1-17-11-4-2-8(9-6-7-18-13(9)11)10(14)3-5-12(15)16/h2,4,6-7H,3,5H2,1H3,(H,15,16)"	"VADZEJRTCBASBZ-UHFFFAOYSA-N"	FALSE	FALSE	1230	3	4
"73698-64-3"	"DTXSID40224001"	"5-Benzofuranbutyric acid, 7-methoxy-gamma-oxo-, sodium salt"	"EPA_DSSTox"	"COC1=CC(=CC2C=COC=21)C(=O)CCC(O)=O"	"[Na+]"	"InChI=1S/C13H12O5/c1-17-11-7-9(10(14)2-3-12(15)16)6-8-4-5-18-13(8)11/h4-7H,2-3H2,1H3,(H,15,16)"	"JAEHSDOMGBEACP-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"73747-29-2"	NA	NA	"Public_CrossChecked"	"CC(N)C(OCCN(C(C)C)C(C)C)C(=O)C1C=CC=CC=1"	"[Cl-].[Cl-]"	"InChI=1S/C18H30N2O2/c1-13(2)20(14(3)4)11-12-22-18(15(5)19)17(21)16-9-7-6-8-10-16/h6-10,13-15,18H,11-12,19H2,1-5H3"	"RNNRTAYIKJFNSQ-UHFFFAOYSA-N"	FALSE	FALSE	238	2	3
"7377-03-9"	"DTXSID8074609"	"Octanamide, N-hydroxy-"	"EPA_DSSTox"	"CCCCCCCC(=O)NO"	"?"	"InChI=1S/C8H17NO2/c1-2-3-4-5-6-7-8(10)9-11/h11H,2-7H2,1H3,(H,9,10)"	"RGUVUPQQFXCJFC-UHFFFAOYSA-N"	FALSE	TRUE	10700	4	5
"73771-25-2"	NA	NA	"Public_CrossChecked"	"OC1C(OC(CO)C(O)C1O)N1CCN(CC1)C1OC(CO)C(O)C(O)C1O"	"?"	"InChI=1S/C16H30N2O10/c19-5-7-9(21)11(23)13(25)15(27-7)17-1-2-18(4-3-17)16-14(26)12(24)10(22)8(6-20)28-16/h7-16,19-26H,1-6H2"	"AAHLQODCOIMLFS-UHFFFAOYSA-N"	FALSE	TRUE	30000	4	5
"7378-99-6"	"DTXSID2036299"	"N,N-Dimethyloctylamine"	"EPA_DSSTox"	"CCCCCCCCN(C)C"	"?"	"InChI=1S/C10H23N/c1-4-5-6-7-8-9-10-11(2)3/h4-10H2,1-3H3"	"UQKAOOAFEFCDGT-UHFFFAOYSA-N"	FALSE	FALSE	162	2	3
"73803-48-2"	"DTXSID2057817"	"Tripamide"	"EPA_DSSTox"	"NS(=O)(=O)C1C=C(C=CC=1Cl)C(=O)NN1CC2C3CC(CC3)C2C1"	"?"	"InChI=1S/C16H20ClN3O3S/c17-14-4-3-11(6-15(14)24(18,22)23)16(21)19-20-7-12-9-1-2-10(5-9)13(12)8-20/h3-4,6,9-10,12-13H,1-2,5,7-8H2,(H,19,21)(H2,18,22,23)"	"UHLOVGKIEARANS-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"73806-49-2"	"DTXSID60224225"	"trans-Tramadol hydrochloride"	"EPA_DSSTox"	"CN(C)CC1CCCCC1(O)C1C=C(C=CC=1)OC"	"Cl"	"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"	FALSE	FALSE	228	2	3
"7381-13-7"	"DTXSID60864049"	"2H-Azepin-2-one, 1,1'-(1,3-phenylenedicarbonyl)bis[hexahydro-"	"EPA_DSSTox"	"O=C(C1C=C(C=CC=1)C(=O)N1CCCCCC1=O)N1CCCCCC1=O"	"?"	"InChI=1S/C20H24N2O4/c23-17-10-3-1-5-12-21(17)19(25)15-8-7-9-16(14-15)20(26)22-13-6-2-4-11-18(22)24/h7-9,14H,1-6,10-13H2"	"HXZRLUTUNSQNCG-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"73815-11-9"	NA	NA	"Public_CrossChecked"	"COCC1CN(C(=O)O1)C1C=CC(=CC=1)OCC1C=CC=C(C=1)C#N"	"?"	"InChI=1S/C19H18N2O4/c1-23-13-18-11-21(19(22)25-18)16-5-7-17(8-6-16)24-12-15-4-2-3-14(9-15)10-20/h2-9,18H,11-13H2,1H3"	"MVVJINIUPYKZHR-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"73826-58-1"	NA	NA	"Public_CrossChecked"	"[O-][N+](=O)C1C=C(N=NC2C(=CC3C=C(C=C(NC4N=C(Cl)N=C(Cl)N=4)C=3C=2O)S(O)(=O)=O)S(O)(=O)=O)C(O)=CC=1"	"?"	"InChI=1S/C19H11Cl2N7O10S2/c20-17-23-18(21)25-19(24-17)22-11-6-9(39(33,34)35)3-7-4-13(40(36,37)38)15(16(30)14(7)11)27-26-10-5-8(28(31)32)1-2-12(10)29/h1-6,29-30H,(H,33,34,35)(H,36,37,38)(H,22,23,24,25)"	"KEYSGGLUHZVQBX-UHFFFAOYSA-N"	FALSE	TRUE	9120	4	5
"73839-60-8"	"DTXSID60224361"	"Formamidine, N-((dibenzylamino)thio)-N'-(2,4-xylyl)-"	"EPA_DSSTox"	"CC1C=C(C)C(=CC=1)/N=C/NSN(CC1C=CC=CC=1)CC1C=CC=CC=1"	"?"	"InChI=1S/C23H25N3S/c1-19-13-14-23(20(2)15-19)24-18-25-27-26(16-21-9-5-3-6-10-21)17-22-11-7-4-8-12-22/h3-15,18H,16-17H2,1-2H3,(H,24,25)"	"LGPFRUMCKJANNU-UHFFFAOYSA-N"	FALSE	FALSE	1049	3	4
"73839-77-7"	"DTXSID40224369"	"Furo(3,4-c)pyridin-7-ol, 1-ethoxy-6-methyl-, hydrochloride"	"EPA_DSSTox"	"CC1N=CC2=COC(OCC)=C2C=1O"	"Cl"	"InChI=1S/C10H11NO3/c1-3-13-10-8-7(5-14-10)4-11-6(2)9(8)12/h4-5,12H,3H2,1-2H3"	"RIXDCWNXEMGDLS-UHFFFAOYSA-N"	FALSE	TRUE	2150	3	5
"73839-78-8"	"DTXSID50224370"	"Furo(3,4-c)pyridin-7-ol, 1-(2-hydroxyethoxy)-6-methyl-, hydrochloride"	"EPA_DSSTox"	"CC1N=CC2=COC(OCCO)=C2C=1O"	"Cl"	"InChI=1S/C10H11NO4/c1-6-9(13)8-7(4-11-6)5-15-10(8)14-3-2-12/h4-5,12-13H,2-3H2,1H3"	"POKKEUJSKBUXNH-UHFFFAOYSA-N"	FALSE	TRUE	2200	3	5
"73840-48-9"	"DTXSID80224409"	"3-Pyridinol, 5,5'-dithiodimethylenebis(4-aminomethyl-2-methyl-, tetrahydrochloride"	"EPA_DSSTox"	"CC1=NC=C(CSSCC2=CN=C(C)C(O)=C2CN)C(CN)=C1O"	"Cl.Cl.Cl.Cl"	"InChI=1S/C16H22N4O2S2/c1-9-15(21)13(3-17)11(5-19-9)7-23-24-8-12-6-20-10(2)16(22)14(12)4-18/h5-6,21-22H,3-4,7-8,17-18H2,1-2H3"	"ICRVGGMUHSQAEO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"73840-49-0"	"DTXSID90224410"	"3-Pyridinol, 5,5'-(dithiodimethylene)bis(4-chloromethyl-2-methyl-, dihydrochloride"	"EPA_DSSTox"	"CC1=NC=C(CSSCC2=CN=C(C)C(O)=C2CCl)C(CCl)=C1O"	"Cl.Cl"	"InChI=1S/C16H18Cl2N2O2S2/c1-9-15(21)13(3-17)11(5-19-9)7-23-24-8-12-6-20-10(2)16(22)14(12)4-18/h5-6,21-22H,3-4,7-8H2,1-2H3"	"IGEMTLLHVXQTKJ-UHFFFAOYSA-N"	FALSE	TRUE	4300	3	5
"73840-50-3"	"DTXSID50224411"	"3-Pyridinol, 5,5'-dithiodimethylenebis(2,4-dimethyl-, dihydrochloride"	"EPA_DSSTox"	"CC1=NC=C(CSSCC2=CN=C(C)C(O)=C2C)C(C)=C1O"	"Cl.Cl"	"InChI=1S/C16H20N2O2S2/c1-9-13(5-17-11(3)15(9)19)7-21-22-8-14-6-18-12(4)16(20)10(14)2/h5-6,19-20H,7-8H2,1-4H3"	"XWMRYFBDLKOLML-UHFFFAOYSA-N"	FALSE	TRUE	2150	3	5
"73846-69-2"	NA	NA	"Public_CrossChecked"	"OC1CCC(CN2CCC(CC2)=C2C3C=CC(F)=CC=3SC3=CC=C(C=C23)C(F)(F)F)CC1"	"?"	"InChI=1S/C26H27F4NOS/c27-19-4-7-21-24(14-19)33-23-8-3-18(26(28,29)30)13-22(23)25(21)17-9-11-31(12-10-17)15-16-1-5-20(32)6-2-16/h3-4,7-8,13-14,16,20,32H,1-2,5-6,9-12,15H2"	"YLOAWENHAHWVJT-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"73855-29-5"	NA	NA	"Public_CrossChecked"	"CC1=NC=C(COP(O)(O)=O)C(CN)=C1O"	"Cl"	"InChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)"	"ZMJGSOSNSPKHNH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"73866-23-6"	NA	NA	"Public_CrossChecked"	"NC(=O)C1=CC(=CC=C1O)C(=O)CBr"	"?"	"InChI=1S/C9H8BrNO3/c10-4-8(13)5-1-2-7(12)6(3-5)9(11)14/h1-3,12H,4H2,(H2,11,14)"	"VXWSXLSUWGZOHD-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"73870-33-4"	"DTXSID70224458"	"N-Nitrosothiazolidine"	"EPA_DSSTox"	"O=NN1CSCC1"	"?"	"InChI=1S/C3H6N2OS/c6-4-5-1-2-7-3-5/h1-3H2"	"PROHBUGJUQHONA-UHFFFAOYSA-N"	FALSE	FALSE	1950	3	4
"73908-94-8"	"DTXSID00224486"	"Thieno(3,4-c)pyridin-7-ol, 6-methyl-, hydrochloride"	"EPA_DSSTox"	"CC1N=CC2=CSC=C2C=1O"	"Cl"	"InChI=1S/C8H7NOS/c1-5-8(10)7-4-11-3-6(7)2-9-5/h2-4,10H,1H3"	"YHOUBPPSSAANHP-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"73926-93-9"	NA	NA	"Public_CrossChecked"	"OS(=O)(=O)C1C=C(C=CC=1C=CC1C=CC(Cl)=CC=1S(O)(=O)=O)N1N=C2C=C(C3=CC=CC=C3C2=N1)S(O)(=O)=O"	"[Na+].[Na+].[Na+]"	"InChI=1S/C24H16ClN3O9S3/c25-16-9-7-14(21(11-16)38(29,30)31)5-6-15-8-10-17(12-22(15)39(32,33)34)28-26-20-13-23(40(35,36)37)18-3-1-2-4-19(18)24(20)27-28/h1-13H,(H,29,30,31)(H,32,33,34)(H,35,36,37)"	"DFJBGVAHGWBFDN-UHFFFAOYSA-N"	FALSE	TRUE	13700	4	5
"73936-91-1"	"DTXSID4072780"	"Phenol, 2-(2H-benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)-"	"EPA_DSSTox"	"CC(C)(C)CC(C)(C)C1C=C(C(O)=C(C=1)N1N=C2C=CC=CC2=N1)C(C)(C)C1C=CC=CC=1"	"?"	"InChI=1S/C29H35N3O/c1-27(2,3)19-28(4,5)21-17-22(29(6,7)20-13-9-8-10-14-20)26(33)25(18-21)32-30-23-15-11-12-16-24(23)31-32/h8-18,33H,19H2,1-7H3"	"UZUNCLSDTUBVCN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"73937-08-3"	NA	NA	"Public_CrossChecked"	"COP(=O)(NC(=O)CC(=O)OCC)SC"	"?"	"InChI=1S/C7H14NO5PS/c1-4-13-7(10)5-6(9)8-14(11,12-2)15-3/h4-5H2,1-3H3,(H,8,9,11)"	"LXHIGQCQMDOLFZ-UHFFFAOYSA-N"	FALSE	FALSE	125	2	3
"73941-13-6"	NA	NA	"Public_CrossChecked"	"CCCNNC1C=CC=CC=1"	"[Cl-]"	"InChI=1S/C9H14N2/c1-2-8-10-11-9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3"	"IJMARSXMLSCBJU-UHFFFAOYSA-N"	TRUE	FALSE	13	1	2
"73954-17-3"	NA	NA	"Public_CrossChecked"	"OC(C(=O)OC1CC2CCC(C1)[N+]12CCCC1)(C1C=CC=CC=1)C1C=CC=CC=1"	"[Cl-]"	"InChI=1S/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26/h1-6,9-12,21-23,28H,7-8,13-18H2/q+1"	"OYYDSUSKLWTMMQ-UHFFFAOYSA-N"	FALSE	FALSE	1501	3	4
"7396-58-9"	"DTXSID5027649"	"N-Methyldidecylamine"	"EPA_DSSTox"	"CN(CCCCCCCCCC)CCCCCCCCCC"	"?"	"InChI=1S/C21H45N/c1-4-6-8-10-12-14-16-18-20-22(3)21-19-17-15-13-11-9-7-5-2/h4-21H2,1-3H3"	"ATBNMWWDBWBAHM-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"73963-42-5"	"DTXSID20459132"	"5-(4-Chlorobutyl)-1-cyclohexyl-1H-tetrazole"	"EPA_DSSTox"	"ClCCCCC1=NN=NN1C1CCCCC1"	"?"	"InChI=1S/C11H19ClN4/c12-9-5-4-8-11-13-14-15-16(11)10-6-2-1-3-7-10/h10H,1-9H2"	"INTQSGGUSUSCTJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"73963-72-1"	"DTXSID9045132"	"Cilostazol"	"EPA_DSSTox"	"O=C1CCC2C=C(C=CC=2N1)OCCCCC1=NN=NN1C1CCCCC1"	"?"	"InChI=1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26)"	"RRGUKTPIGVIEKM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"7397-62-8"	"DTXSID6044725"	"Butyl hydroxyacetate"	"EPA_DSSTox"	"CCCCOC(=O)CO"	"?"	"InChI=1S/C6H12O3/c1-2-3-4-9-6(8)5-7/h7H,2-5H2,1H3"	"VFGRALUHHHDIQI-UHFFFAOYSA-N"	FALSE	TRUE	4240	3	5
"7398-69-8"	"DTXSID4027650"	"Dimethyldiallylammonium chloride"	"EPA_DSSTox"	"C[N+](C)(CC=C)CC=C"	"[Cl-]"	"InChI=1S/C8H16N/c1-5-7-9(3,4)8-6-2/h5-6H,1-2,7-8H2,3-4H3/q+1"	"YIOJGTBNHQAVBO-UHFFFAOYSA-N"	FALSE	TRUE	2520	3	5
"73986-95-5"	NA	NA	"Public_CrossChecked"	"OCC(O)OC1=CC=C(Cl)C=C1Cl"	"?"	"InChI=1S/C8H8Cl2O3/c9-5-1-2-7(6(10)3-5)13-8(12)4-11/h1-3,8,11-12H,4H2"	"HMJHOMSWBBBOJV-UHFFFAOYSA-N"	FALSE	FALSE	1070	3	4
"73987-24-3"	NA	NA	"Public_CrossChecked"	"CC1=NC=C2CSSCC2=C1O"	"[Cl-]"	"InChI=1S/C8H9NOS2/c1-5-8(10)7-4-12-11-3-6(7)2-9-5/h2,10H,3-4H2,1H3"	"PEBMREZULUGGAP-UHFFFAOYSA-N"	FALSE	FALSE	1110	3	4
"73987-51-6"	"DTXSID30224777"	"1,3-Dioxan-5-ol, 2-(methylphenyl)- (mixed isomers)"	"EPA_DSSTox"	"CC1=CC=CC=C1C1OCC(O)CO1"	"?"	"InChI=1S/C11H14O3/c1-8-4-2-3-5-10(8)11-13-6-9(12)7-14-11/h2-5,9,11-12H,6-7H2,1H3"	"NCMQNBRXQZBDML-UHFFFAOYSA-N"	FALSE	TRUE	3400	3	5
"74-55-5"	"DTXSID8023006"	"Ethambutol"	"EPA_DSSTox"	"CCC(CO)NCCNC(CO)CC"	"?"	"InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3"	"AEUTYOVWOVBAKS-UHFFFAOYSA-N"	FALSE	FALSE	998	3	4
"74-82-8"	"DTXSID8025545"	"Methane"	"EPA_DSSTox"	"C"	"?"	"InChI=1S/CH4/h1H4"	"VNWKTOKETHGBQD-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"74-88-4"	"DTXSID0024187"	"Methyl iodide"	"EPA_DSSTox"	"CI"	"?"	"InChI=1S/CH3I/c1-2/h1H3"	"INQOMBQAUSQDDS-UHFFFAOYSA-N"	FALSE	FALSE	76	2	3
"74-89-5"	"DTXSID7025683"	"Methylamine"	"EPA_DSSTox"	"CN"	"?"	"InChI=1S/CH5N/c1-2/h2H2,1H3"	"BAVYZALUXZFZLV-UHFFFAOYSA-N"	FALSE	FALSE	80	2	3
"74-95-3"	"DTXSID4021557"	"Dibromomethane"	"EPA_DSSTox"	"BrCBr"	"?"	"InChI=1S/CH2Br2/c2-1-3/h1H2"	"FJBFPHVGVWTDIP-UHFFFAOYSA-N"	FALSE	FALSE	108	2	3
"74-96-4"	"DTXSID6020199"	"Bromoethane"	"EPA_DSSTox"	"CCBr"	"?"	"InChI=1S/C2H5Br/c1-2-3/h2H2,1H3"	"RDHPKYGYEGBMSE-UHFFFAOYSA-N"	FALSE	FALSE	1350	3	4
"74-97-5"	"DTXSID4021503"	"Bromochloromethane"	"EPA_DSSTox"	"ClCBr"	"?"	"InChI=1S/CH2BrCl/c2-1-3/h1H2"	"JPOXNPPZZKNXOV-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"740-20-5"	NA	NA	"Public_CrossChecked"	"CP(=S)(OCC(=C)Cl)OC1C=CC(=C(C=1)C(F)(F)F)[N+]([O-])=O"	"?"	"InChI=1S/C11H10ClF3NO4PS/c1-7(12)6-19-21(2,22)20-8-3-4-10(16(17)18)9(5-8)11(13,14)15/h3-5H,1,6H2,2H3"	"MXRVWSWHANYETE-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"74037-54-0"	"DTXSID70224857"	"4-Pyridinemethanol, 3-(ethylthiomethyl)-5-hydroxy-6-methyl-, hydrochloride"	"EPA_DSSTox"	"CC1=NC=C(CSCC)C(CO)=C1O"	"Cl"	"InChI=1S/C10H15NO2S/c1-3-14-6-8-4-11-7(2)10(13)9(8)5-12/h4,12-13H,3,5-6H2,1-2H3"	"CPNZLHLKWZMHRY-UHFFFAOYSA-N"	FALSE	TRUE	3770	3	5
"74037-55-1"	NA	NA	"Public_CrossChecked"	"CC1=NC=C(CSSSCC2C=NC(C)=C(O)C=2CO)C(CO)=C1O"	"O.Cl.Cl"	"InChI=1S/C16H20N2O4S3/c1-9-15(21)13(5-19)11(3-17-9)7-23-25-24-8-12-4-18-10(2)16(22)14(12)6-20/h3-4,19-22H,5-8H2,1-2H3"	"BUGIESCTKFQFNP-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"74039-01-3"	"DTXSID50224911"	"2H-Naphtho(1,2-d)triazole-6,8-disulfonic acid, 2-(4'-amino-1,1'-biphenyl-4-yl)-, dipotassium salt"	"EPA_DSSTox"	"NC1C=CC(=CC=1)C1C=CC(=CC=1)N1N=C2C=CC3C(=CC(=CC=3S(O)(=O)=O)S(O)(=O)=O)C2=N1"	"[K+].[K+]"	"InChI=1S/C22H16N4O6S2/c23-15-5-1-13(2-6-15)14-3-7-16(8-4-14)26-24-20-10-9-18-19(22(20)25-26)11-17(33(27,28)29)12-21(18)34(30,31)32/h1-12H,23H2,(H,27,28,29)(H,30,31,32)"	"UOBUHTAUYKOWFY-UHFFFAOYSA-N"	FALSE	TRUE	7210	4	5
"74050-94-5"	"DTXSID80224949"	"4-Pyridinemethanol, 3,3'-thiodimethylenebis(5-hydroxy-6-methyl-, dihydrochloride, hydrate"	"EPA_DSSTox"	"CC1=NC=C(CSCC2=CN=C(C)C(O)=C2CO)C(CO)=C1O"	"Cl.Cl.O"	"InChI=1S/C16H20N2O4S/c1-9-15(21)13(5-19)11(3-17-9)7-23-8-12-4-18-10(2)16(22)14(12)6-20/h3-4,19-22H,5-8H2,1-2H3"	"RFTLJJQZOSWJGE-UHFFFAOYSA-N"	FALSE	TRUE	7500	4	5
"74050-97-8"	"DTXSID50224951"	"Haloperidol decanoate"	"EPA_DSSTox"	"CCCCCCCCCC(=O)OC1(CCN(CCCC(=O)C2C=CC(F)=CC=2)CC1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C31H41ClFNO3/c1-2-3-4-5-6-7-8-11-30(36)37-31(26-14-16-27(32)17-15-26)20-23-34(24-21-31)22-9-10-29(35)25-12-18-28(33)19-13-25/h12-19H,2-11,20-24H2,1H3"	"GUTXTARXLVFHDK-UHFFFAOYSA-N"	FALSE	FALSE	1717	3	4
"74051-80-2"	"DTXSID9024304"	"Sethoxydim"	"EPA_DSSTox"	"CC(CC1CC(O)=C(C(=O)C1)C(CCC)=NOCC)SCC"	"?"	"InChI=1S/C17H29NO3S/c1-5-8-14(18-21-6-2)17-15(19)10-13(11-16(17)20)9-12(4)22-7-3/h12-13,19H,5-11H2,1-4H3"	"CSPPKDPQLUUTND-UHFFFAOYSA-N"	FALSE	TRUE	2676	3	5
"74068-00-1"	NA	NA	"Public_CrossChecked"	"CC(N)C1CCC(CC1)C1C=CC=CC=1"	"?"	"InChI=1S/C14H21N/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-6,11-12,14H,7-10,15H2,1H3"	"DZWRYOJSAWKQIK-UHFFFAOYSA-N"	FALSE	FALSE	690	3	4
"7407-66-1"	NA	NA	"Public_CrossChecked"	"CC(C)C(NC(=O)COC1C=CC(Cl)=CC=1Cl)C(O)=O"	"?"	"InChI=1S/C13H15Cl2NO4/c1-7(2)12(13(18)19)16-11(17)6-20-10-4-3-8(14)5-9(10)15/h3-5,7,12H,6H2,1-2H3,(H,16,17)(H,18,19)"	"GPBUKZZLRKVOJZ-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"74070-46-5"	"DTXSID7058175"	"Aclonifen"	"EPA_DSSTox"	"NC1=C(Cl)C(=CC=C1[N+]([O-])=O)OC1C=CC=CC=1"	"?"	"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"	FALSE	TRUE	NA	4	5
"74088-83-8"	"DTXSID30224994"	"Benzenamine, 2-((1,2,4-oxadiazol-3-ylmethyl)thio)-"	"EPA_DSSTox"	"NC1=CC=CC=C1SCC1N=CON=1"	"?"	"InChI=1S/C9H9N3OS/c10-7-3-1-2-4-8(7)14-5-9-11-6-13-12-9/h1-4,6H,5,10H2"	"PECMZEOYSREQQN-UHFFFAOYSA-N"	FALSE	FALSE	79.4	2	3
"74089-28-4"	"DTXSID90224995"	"Benzenamine, 2-((1,2,4-oxadiazol-3-ylmethyl)thio)-, monohydrochloride"	"EPA_DSSTox"	"NC1=CC=CC=C1SCC1N=CON=1"	"Cl"	"InChI=1S/C9H9N3OS/c10-7-3-1-2-4-8(7)14-5-9-11-6-13-12-9/h1-4,6H,5,10H2"	"PECMZEOYSREQQN-UHFFFAOYSA-N"	FALSE	FALSE	63	2	3
"74103-07-4"	"DTXSID0045597"	"Ketorolac tromethamine"	"EPA_DSSTox"	"OC(=O)C1CCN2C(=CC=C21)C(=O)C1C=CC=CC=1"	"NC(CO)(CO)CO"	"InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)"	"OZWKMVRBQXNZKK-UHFFFAOYSA-N"	FALSE	FALSE	189	2	3
"74115-24-5"	"DTXSID9023881"	"Clofentezine"	"EPA_DSSTox"	"ClC1C=CC=CC=1C1N=NC(=NN=1)C1C=CC=CC=1Cl"	"?"	"InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H"	"UXADOQPNKNTIHB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"74125-01-2"	"DTXSID70225081"	"Phosphorodithioic acid, O,S,S-tripropyl ester"	"EPA_DSSTox"	"CCCOP(=O)(SCCC)SCCC"	"?"	"InChI=1S/C9H21O2PS2/c1-4-7-11-12(10,13-8-5-2)14-9-6-3/h4-9H2,1-3H3"	"AOTHZQJQFFOUEA-UHFFFAOYSA-N"	FALSE	FALSE	129	2	3
"7414-83-7"	"DTXSID1029671"	"Etidronate disodium"	"EPA_DSSTox"	"CC(O)(P(O)(O)=O)P(O)(O)=O"	"[Na+].[Na+]"	"InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)"	"DBVJJBKOTRCVKF-UHFFFAOYSA-N"	FALSE	FALSE	1340	3	4
"74149-72-7"	"DTXSID10551210"	"Methyl 4-[4-(4-methoxybenzamido)-3-nitrophenyl]-3-methyl-4-oxobutanoate"	"EPA_DSSTox"	"CC(CC(=O)OC)C(=O)C1C=C(C(=CC=1)NC(=O)C1C=CC(=CC=1)OC)[N+]([O-])=O"	"?"	"InChI=1S/C20H20N2O7/c1-12(10-18(23)29-3)19(24)14-6-9-16(17(11-14)22(26)27)21-20(25)13-4-7-15(28-2)8-5-13/h4-9,11-12H,10H2,1-3H3,(H,21,25)"	"BVRUHPOPLACNJO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"74150-27-9"	NA	NA	"Public_CrossChecked"	"CC1CC(=O)N=NC1C1C=C2N=C(NC2=CC=1)C1C=CC(=CC=1)OC"	"?"	"InChI=1S/C19H18N4O2/c1-11-9-17(24)22-23-18(11)13-5-8-15-16(10-13)21-19(20-15)12-3-6-14(25-2)7-4-12/h3-8,10-11,18H,9H2,1-2H3,(H,20,21)"	"MNWILJRMFGWJEX-UHFFFAOYSA-N"	FALSE	FALSE	950	3	4
"7417-67-6"	"DTXSID50225140"	"N-Methyl-N-nitrosoacetamide"	"EPA_DSSTox"	"CC(=O)N(C)N=O"	"?"	"InChI=1S/C3H6N2O2/c1-3(6)5(2)4-7/h1-2H3"	"FFLFWNRFMZRFKU-UHFFFAOYSA-N"	TRUE	FALSE	20	1	2
"742-01-8"	NA	NA	"Public_CrossChecked"	"C1C(C2C=CC=CC=2)N(N=C1C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C21H18N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23(22-20)19-14-8-3-9-15-19/h1-15,21H,16H2"	"FGCZQOHSWGMVPN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"742-20-1"	"DTXSID4022868"	"Cyclopenthiazide"	"EPA_DSSTox"	"NS(=O)(=O)C1C=C2C(=CC=1Cl)NC(CC1CCCC1)NS2(=O)=O"	"?"	"InChI=1S/C13H18ClN3O4S2/c14-9-6-10-12(7-11(9)22(15,18)19)23(20,21)17-13(16-10)5-8-3-1-2-4-8/h6-8,13,16-17H,1-5H2,(H2,15,18,19)"	"BKYKPTRYDKTTJY-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"7420-06-6"	NA	NA	"Public_CrossChecked"	"CCCCOCCC(O)=O"	"?"	"InChI=1S/C7H14O3/c1-2-3-5-10-6-4-7(8)9/h2-6H2,1H3,(H,8,9)"	"OWVMFLLVLFONOO-UHFFFAOYSA-N"	FALSE	TRUE	5190	4	5
"7421-40-1"	"DTXSID7045572"	"Carbenoxolone sodium"	"EPA_DSSTox"	"CC1(C)C(CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O)OC(=O)CCC(O)=O"	"[Na+].[Na+]"	"InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)"	"OBZHEBDUNPOCJG-UHFFFAOYSA-N"	FALSE	TRUE	2450	3	5
"74222-97-2"	"DTXSID0034936"	"Sulfometuron-methyl"	"EPA_DSSTox"	"CC1C=C(C)N=C(NC(=O)NS(=O)(=O)C2C=CC=CC=2C(=O)OC)N=1"	"?"	"InChI=1S/C15H16N4O5S/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3/h4-8H,1-3H3,(H2,16,17,18,19,21)"	"ZDXMLEQEMNLCQG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"7425-14-1"	"DTXSID9052478"	"2-Ethylhexyl 2-ethylhexanoate"	"EPA_DSSTox"	"CCC(CCCC)C(=O)OCC(CCCC)CC"	"?"	"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"	FALSE	TRUE	27000	4	5
"74252-25-8"	"DTXSID00225256"	"Indomethacin sodium [USAN:USP]"	"EPA_DSSTox"	"CC1=C(CC(O)=O)C2=CC(=CC=C2N1C(=O)C1C=CC(Cl)=CC=1)OC"	"[Na+].O.O.O"	"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"	TRUE	FALSE	21	1	2
"74258-86-9"	"DTXSID3048576"	"Alacepril"	"EPA_DSSTox"	"CC(=O)SCC(C)C(=O)N1CCCC1C(=O)NC(CC1C=CC=CC=1)C(O)=O"	"?"	"InChI=1S/C20H26N2O5S/c1-13(12-28-14(2)23)19(25)22-10-6-9-17(22)18(24)21-16(20(26)27)11-15-7-4-3-5-8-15/h3-5,7-8,13,16-17H,6,9-12H2,1-2H3,(H,21,24)(H,26,27)"	"FHHHOYXPRDYHEZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"74277-10-4"	NA	NA	"Public_CrossChecked"	"[H]/N=C(\N=C(N)N)/N1N=CCC1C"	"Cl"	"InChI=1S/C6H12N6/c1-4-2-3-10-12(4)6(9)11-5(7)8/h3-4H,2H2,1H3,(H5,7,8,9,11)"	"UXRYQTWMYQBPJP-UHFFFAOYSA-N"	FALSE	TRUE	4350	3	5
"74277-15-9"	"DTXSID80225294"	"BPC 151"	"EPA_DSSTox"	"[H]/N=C(\N=C(N)N)/N1N=C(C)CC1(C)C"	"Cl"	"InChI=1S/C8H16N6/c1-5-4-8(2,3)14(13-5)7(11)12-6(9)10/h4H2,1-3H3,(H5,9,10,11,12)"	"IAZSIVLHDPDORN-UHFFFAOYSA-N"	FALSE	TRUE	4090	3	5
"74298-63-8"	NA	NA	"Public_CrossChecked"	"CC1=NC2C=CC=CC=2N1CC1C=CC(Cl)=CC=1"	"Cl"	"InChI=1S/C15H13ClN2/c1-11-17-14-4-2-3-5-15(14)18(11)10-12-6-8-13(16)9-7-12/h2-9H,10H2,1H3"	"WNAQOLSMVPFGTE-UHFFFAOYSA-N"	FALSE	TRUE	2200	3	5
"7431-19-8"	NA	NA	"Public_CrossChecked"	"CN(N=O)C1C=CC(=CC=1)C=O"	"?"	"InChI=1S/C8H8N2O2/c1-10(9-12)8-4-2-7(6-11)3-5-8/h2-6H,1H3"	"MFPNZVRAGLEUPZ-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"74356-00-6"	NA	NA	"Public_CrossChecked"	"CN1N=NN=C1SCC1CSC2N(C=1C(O)=O)C(=O)C2(NC(=O)C1SC(S1)=C(C(N)=O)C(O)=O)OC"	"[Na+].[Na+]"	"InChI=1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)"	"SRZNHPXWXCNNDU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"74381-53-6"	"DTXSID7049009"	"Leuprolide acetate salt"	"EPA_DSSTox"	"[H]/N=C(\N)/NCCCC(NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC1=CNC2C=CC=CC=21)NC(=O)C(CC1=CN=CN1)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NCC"	"CC(=O)O"	"InChI=1S/C59H84N16O12/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40/h7-8,11-12,15-18,28-29,31-33,40-48,65,76-77H,6,9-10,13-14,19-27,30H2,1-5H3,(H,62,66)(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)(H4,60,61,64)"	"GFIJNRVAKGFPGQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"7440-44-0"	"DTXSID9027651"	"Carbon"	"EPA_DSSTox"	"C"	"?"	"InChI=1S/CH4/h1H4"	"VNWKTOKETHGBQD-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"7446-81-3"	"DTXSID4027652"	"2-Propenoic acid, sodium salt"	"EPA_DSSTox"	"C=CC(O)=O"	"[Na+]"	"InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)"	"NIXOWILDQLNWCW-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"745-65-3"	"DTXSID9022578"	"Alprostadil"	"EPA_DSSTox"	"CCCCCC(O)C=CC1C(CCCCCCC(O)=O)C(=O)CC1O"	"?"	"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)"	"GMVPRGQOIOIIMI-UHFFFAOYSA-N"	FALSE	FALSE	228	2	3
"7450-69-3"	"DTXSID4073382"	"Phosphorodiamidic acid, phenyl ester"	"EPA_DSSTox"	"NP(N)(=O)OC1C=CC=CC=1"	"?"	"InChI=1S/C6H9N2O2P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H4,7,8,9)"	"AYRRNFHDJUXLEQ-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"7452-79-1"	"DTXSID3052488"	"Ethyl 2-methylbutyrate"	"EPA_DSSTox"	"CC(CC)C(=O)OCC"	"?"	"InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3"	"HCRBXQFHJMCTLF-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"74531-87-6"	"DTXSID60225535"	"Acetic acid, ((4-phenyl-2-thiazolyl)amino)oxo-, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)C(=O)NC1=NC(=CS1)C1C=CC=CC=1"	"?"	"InChI=1S/C13H12N2O3S/c1-2-18-12(17)11(16)15-13-14-10(8-19-13)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15,16)"	"JSDDXJXVRWCEBV-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"74548-80-4"	NA	NA	"Public_CrossChecked"	"CC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1"	"?"	"InChI=1S/C16H14Cl3O5P/c1-12(20)22-15(16(17,18)19)25(21,23-13-8-4-2-5-9-13)24-14-10-6-3-7-11-14/h2-11,15H,1H3"	"RJUFATJOENABQE-UHFFFAOYSA-N"	FALSE	TRUE	3280	3	5
"74550-96-2"	"DTXSID90225548"	"Guanidine, (4,5-dipropyl-2-oxazolyl)-, monohydrochloride"	"EPA_DSSTox"	"CCCC1OC(N=C(N)N)=NC=1CCC"	"Cl"	"InChI=1S/C10H18N4O/c1-3-5-7-8(6-4-2)15-10(13-7)14-9(11)12/h3-6H2,1-2H3,(H4,11,12,13,14)"	"AELNGSYDNICUTH-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"7457-25-2"	"DTXSID20225556"	"Methane, bis(p-chlorophenyl)-dichloro-"	"EPA_DSSTox"	"ClC(Cl)(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C13H8Cl4/c14-11-5-1-9(2-6-11)13(16,17)10-3-7-12(15)8-4-10/h1-8H"	"CYRZYVXEHUQRAE-UHFFFAOYSA-N"	FALSE	FALSE	168	2	3
"74627-35-3"	NA	NA	"Public_CrossChecked"	"CN1CC(CC2C1CC1=CNC3C=CC=C2C1=3)CC(C#N)C(N)=O"	"?"	"InChI=1S/C19H22N4O/c1-23-10-11(5-12(8-20)19(21)24)6-15-14-3-2-4-16-18(14)13(9-22-16)7-17(15)23/h2-4,9,11-12,15,17,22H,5-7,10H2,1H3,(H2,21,24)"	"LVMVXZOPCAMYHC-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"74639-40-0"	"DTXSID1057820"	"Docarpamine"	"EPA_DSSTox"	"CC(=O)NC(CCSC)C(=O)NCCC1=CC(OC(=O)OCC)=C(C=C1)OC(=O)OCC"	"?"	"InChI=1S/C21H30N2O8S/c1-5-28-20(26)30-17-8-7-15(13-18(17)31-21(27)29-6-2)9-11-22-19(25)16(10-12-32-4)23-14(3)24/h7-8,13,16H,5-6,9-12H2,1-4H3,(H,22,25)(H,23,24)"	"ZLVMAMIPILWYHQ-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"74697-32-8"	NA	NA	"Public_CrossChecked"	"OC1C=CC(=CC=1)C1(NC(=O)NC1=O)C1=CC=CS1"	"?"	"InChI=1S/C13H10N2O3S/c16-9-5-3-8(4-6-9)13(10-2-1-7-19-10)11(17)14-12(18)15-13/h1-7,16H,(H2,14,15,17,18)"	"OQJYYKGWJGYIPA-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"74697-34-0"	NA	NA	"Public_CrossChecked"	"COC1C=CC(=CC=1Cl)C1(NC(=O)NC1=O)C1C=CC(=CC=1)OC"	"?"	"InChI=1S/C17H15ClN2O4/c1-23-12-6-3-10(4-7-12)17(15(21)19-16(22)20-17)11-5-8-14(24-2)13(18)9-11/h3-9H,1-2H3,(H2,19,20,21,22)"	"FLXAUYCBVVBCOT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"74697-48-6"	NA	NA	"Public_CrossChecked"	"CCC1(NC(=O)NC1=O)C1C=CC=CC=1O"	"?"	"InChI=1S/C11H12N2O3/c1-2-11(9(15)12-10(16)13-11)7-5-3-4-6-8(7)14/h3-6,14H,2H2,1H3,(H2,12,13,15,16)"	"GAMWAHMVIILRNU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"74697-60-2"	NA	NA	"Public_CrossChecked"	"CC1C=C(C=CC=1O)C1(NC(=O)NC1=O)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C16H14N2O4/c1-9-8-11(4-7-13(9)20)16(14(21)17-15(22)18-16)10-2-5-12(19)6-3-10/h2-8,19-20H,1H3,(H2,17,18,21,22)"	"WZHNHMUIGWJPHD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"74697-62-4"	NA	NA	"Public_CrossChecked"	"OC1C=CC(=CC=1)C1(NC(=O)NC1=O)C1=CC(Cl)=C(O)C=C1"	"?"	"InChI=1S/C15H11ClN2O4/c16-11-7-9(3-6-12(11)20)15(13(21)17-14(22)18-15)8-1-4-10(19)5-2-8/h1-7,19-20H,(H2,17,18,21,22)"	"ZHDCRAZTGMZVTI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"7473-98-5"	"DTXSID8044830"	"Propylene glycol diacetate"	"EPA_DSSTox"	"CC(C)(O)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C10H12O2/c1-10(2,12)9(11)8-6-4-3-5-7-8/h3-7,12H,1-2H3"	"XMLYCEVDHLAQEL-UHFFFAOYSA-N"	FALSE	FALSE	1694	3	4
"74738-17-3"	"DTXSID0036633"	"Fenpicionil"	"EPA_DSSTox"	"N#CC1=CNC=C1C1C=CC=C(Cl)C=1Cl"	"?"	"InChI=1S/C11H6Cl2N2/c12-10-3-1-2-8(11(10)13)9-6-15-5-7(9)4-14/h1-3,5-6,15H"	"FKLFBQCQQYDUAM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"7474-78-4"	"DTXSID4064715"	"Benzenesulfonic acid, 3,4-diamino-"	"EPA_DSSTox"	"NC1=CC(=CC=C1N)S(O)(=O)=O"	"?"	"InChI=1S/C6H8N2O3S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,7-8H2,(H,9,10,11)"	"FKSRSWQTEJTBMI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"74758-13-7"	NA	NA	"Public_CrossChecked"	"CN(C)CCN(C(C)=O)N1C=C(C2=CC=CC=C12)C1C=CC=CC=1"	"[Cl-]"	"InChI=1S/C20H23N3O/c1-16(24)22(14-13-21(2)3)23-15-19(17-9-5-4-6-10-17)18-11-7-8-12-20(18)23/h4-12,15H,13-14H2,1-3H3"	"DOUAWBFILMEYMW-UHFFFAOYSA-N"	FALSE	FALSE	1100	3	4
"74758-19-3"	NA	NA	"Public_CrossChecked"	"CN(C)CCN(CCN(C)C)N1C=C(C2=CC=CC=C12)C1C=CC=CC=1"	"[Cl-].[Cl-]"	"InChI=1S/C22H30N4/c1-23(2)14-16-25(17-15-24(3)4)26-18-21(19-10-6-5-7-11-19)20-12-8-9-13-22(20)26/h5-13,18H,14-17H2,1-4H3"	"SUSYZZFRJVLOSW-UHFFFAOYSA-N"	FALSE	FALSE	1250	3	4
"74758-25-1"	NA	NA	"Public_CrossChecked"	"CC1C=C2C(=CC=1)N(C=C2C1C=CC(Cl)=CC=1)N(CCN(CC)CC)CCN(CC)CC"	"[Cl-].[Cl-]"	"InChI=1S/C27H39ClN4/c1-6-29(7-2)16-18-31(19-17-30(8-3)9-4)32-21-26(23-11-13-24(28)14-12-23)25-20-22(5)10-15-27(25)32/h10-15,20-21H,6-9,16-19H2,1-5H3"	"NZRHNXMLBSRPJP-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"74764-40-2"	"DTXSID5040176"	"Bepridil hydrochloride"	"EPA_DSSTox"	"CC(C)COCC(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC1"	"O.Cl"	"InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3"	"UIEATEWHFDRYRU-UHFFFAOYSA-N"	FALSE	TRUE	6850	4	5
"74782-23-3"	"DTXSID8052489"	"Oxabentrinil"	"EPA_DSSTox"	"C#CC(=NOCC1OCCO1)C1C=CC=CC=1"	"?"	"InChI=1S/C13H13NO3/c1-2-12(11-6-4-3-5-7-11)14-17-10-13-15-8-9-16-13/h1,3-7,13H,8-10H2"	"YEMRRKGCMRSREH-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"74789-64-3"	"DTXSID90225765"	"EBP-5"	"EPA_DSSTox"	"O=P(CCN1C2=CC=CC=C2N=C1CC1C=CC=CC=1)(OCCCl)OCCCl"	"?"	"InChI=1S/C20H23Cl2N2O3P/c21-10-13-26-28(25,27-14-11-22)15-12-24-19-9-5-4-8-18(19)23-20(24)16-17-6-2-1-3-7-17/h1-9H,10-16H2"	"UTHUEGPMLNWLBE-UHFFFAOYSA-N"	FALSE	TRUE	6200	4	5
"7483-25-2"	"DTXSID30225805"	"Diethylene glycol, diester with butylphthalate"	"EPA_DSSTox"	"CCCCOC(=O)C1=CC=CC=C1C(=O)OCCOCCOC(=O)C1=CC=CC=C1C(=O)OCCCC"	"?"	"InChI=1S/C28H34O9/c1-3-5-15-34-25(29)21-11-7-9-13-23(21)27(31)36-19-17-33-18-20-37-28(32)24-14-10-8-12-22(24)26(30)35-16-6-4-2/h7-14H,3-6,15-20H2,1-2H3"	"QOHGWJJKTCUFDB-UHFFFAOYSA-N"	FALSE	TRUE	11000	4	5
"74859-37-3"	NA	NA	"Public_CrossChecked"	"CC1N=C(C2C(Br)=C(C=CC=2N(C)C1=O)NC(=O)NCCO)C1C=CC=CC=1Cl"	"?"	"InChI=1S/C20H20BrClN4O3/c1-11-19(28)26(2)15-8-7-14(25-20(29)23-9-10-27)17(21)16(15)18(24-11)12-5-3-4-6-13(12)22/h3-8,11,27H,9-10H2,1-2H3,(H2,23,25,29)"	"YZJUIBJVSMRPRX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"74859-39-5"	NA	NA	"Public_CrossChecked"	"CC1N=C(C2=C(C=CC(NC(=O)NCCO)=C2Cl)N(C)C1=O)C1C=CC=CC=1Cl"	"?"	"InChI=1S/C20H20Cl2N4O3/c1-11-19(28)26(2)15-8-7-14(25-20(29)23-9-10-27)17(22)16(15)18(24-11)12-5-3-4-6-13(12)21/h3-8,11,27H,9-10H2,1-2H3,(H2,23,25,29)"	"SFJNDPGNOSODSN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"74859-42-0"	"DTXSID80225835"	"4-Morpholinecarboxamide, N-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-"	"EPA_DSSTox"	"CN1C2C=CC(NC(=O)N3CCOCC3)=C(Cl)C=2C(=NCC1=O)C1=CC=CC=C1F"	"?"	"InChI=1S/C21H20ClFN4O3/c1-26-16-7-6-15(25-21(29)27-8-10-30-11-9-27)19(22)18(16)20(24-12-17(26)28)13-4-2-3-5-14(13)23/h2-7H,8-12H2,1H3,(H,25,29)"	"SQKFWZPXZMZLSL-UHFFFAOYSA-N"	FALSE	FALSE	1250	3	4
"74860-00-7"	"DTXSID90456774"	"2-[(11H-Dibenzo[b,e]azepin-6-yl)methyl]-1H-isoindole-1,3(2H)-dione"	"EPA_DSSTox"	"O=C1C2=CC=CC=C2C(=O)N1CC1=NC2=CC=CC=C2CC2=CC=CC=C21"	"?"	"InChI=1S/C23H16N2O2/c26-22-18-10-4-5-11-19(18)23(27)25(22)14-21-17-9-3-1-7-15(17)13-16-8-2-6-12-20(16)24-21/h1-12H,13-14H2"	"QAVFEJRLIYLUBJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"749-02-0"	"DTXSID5045205"	"Spiperone"	"EPA_DSSTox"	"O=C1NCN(C2C=CC=CC=2)C21CCN(CCCC(=O)C1C=CC(F)=CC=1)CC2"	"?"	"InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)"	"DKGZKTPJOSAWFA-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"7491-02-3"	"DTXSID3064720"	"Decanedioic acid, bis(1-methylethyl) ester"	"EPA_DSSTox"	"CC(C)OC(=O)CCCCCCCCC(=O)OC(C)C"	"?"	"InChI=1S/C16H30O4/c1-13(2)19-15(17)11-9-7-5-6-8-10-12-16(18)20-14(3)4/h13-14H,5-12H2,1-4H3"	"XFKBBSZEQRFVSL-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"7492-29-7"	NA	NA	"Public_CrossChecked"	"CN1C(=O)CN2CCC3C=CC=CC=3C2C2C=C(Cl)C=CC1=2"	"?"	"InChI=1S/C18H17ClN2O/c1-20-16-7-6-13(19)10-15(16)18-14-5-3-2-4-12(14)8-9-21(18)11-17(20)22/h2-7,10,18H,8-9,11H2,1H3"	"YAQKGZXXQNKEET-UHFFFAOYSA-N"	FALSE	FALSE	1730	3	4
"7492-32-2"	"DTXSID9023174"	"Isopropamide"	"EPA_DSSTox"	"C[N+](CCC(C(N)=O)(C1C=CC=CC=1)C1C=CC=CC=1)(C(C)C)C(C)C"	"?"	"InChI=1S/C23H32N2O/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26)/p+1"	"JTPUMZTWMWIVPA-UHFFFAOYSA-O"	FALSE	FALSE	1032	3	4
"7492-37-7"	"DTXSID50864073"	"4-Heptanone, 3-(phenylmethyl)-"	"EPA_DSSTox"	"CCCC(=O)C(CC1C=CC=CC=1)CC"	"?"	"InChI=1S/C14H20O/c1-3-8-14(15)13(4-2)11-12-9-6-5-7-10-12/h5-7,9-10,13H,3-4,8,11H2,1-2H3"	"CGTCWTIGDNJZOX-UHFFFAOYSA-N"	FALSE	TRUE	4400	3	5
"7492-66-2"	"DTXSID1024837"	"Citral diethyl acetal"	"EPA_DSSTox"	"CC(C)=CCCC(C)=CC(OCC)OCC"	"?"	"InChI=1S/C14H26O2/c1-6-15-14(16-7-2)11-13(5)10-8-9-12(3)4/h9,11,14H,6-8,10H2,1-5H3"	"NTXGFKWLJFHGGJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"7492-67-3"	"DTXSID7052492"	"[(3,7-Dimethyl-6-octenyl)oxy]acetaldehyde"	"EPA_DSSTox"	"CC(CCC=C(C)C)CCOCC=O"	"?"	"InChI=1S/C12H22O2/c1-11(2)5-4-6-12(3)7-9-14-10-8-13/h5,8,12H,4,6-7,9-10H2,1-3H3"	"LMETVDMCIJNNKH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"7493-57-4"	"DTXSID2052493"	"[2-(1-Propoxyethoxy)ethyl]benzene"	"EPA_DSSTox"	"CCCOC(C)OCCC1C=CC=CC=1"	"?"	"InChI=1S/C13H20O2/c1-3-10-14-12(2)15-11-9-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3"	"FMYCPRQGKSONCP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"74940-61-7"	NA	NA	"Public_CrossChecked"	"COP(=O)(OC)C(OC(=O)CCl)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C6H9Cl4O5P/c1-13-16(12,14-2)5(6(8,9)10)15-4(11)3-7/h5H,3H2,1-2H3"	"AHAAWQBSARNIMQ-UHFFFAOYSA-N"	FALSE	FALSE	344	2	4
"7495-45-6"	"DTXSID20225915"	"Acetic acid, diphenylethoxy-"	"EPA_DSSTox"	"CCOC(C(O)=O)(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C16H16O3/c1-2-19-16(15(17)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,17,18)"	"SEUTWLXKEMEBTR-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"74957-49-6"	NA	NA	"Public_CrossChecked"	"CN(C)C(=O)C=CC1=CC2OCOC=2C=C1"	"?"	"InChI=1S/C12H13NO3/c1-13(2)12(14)6-4-9-3-5-10-11(7-9)16-8-15-10/h3-7H,8H2,1-2H3"	"CEUCWGNOCLVFRN-UHFFFAOYSA-N"	FALSE	FALSE	74	2	3
"75-01-4"	"DTXSID8021434"	"Vinyl chloride"	"EPA_DSSTox"	"C=CCl"	"?"	"InChI=1S/C2H3Cl/c1-2-3/h2H,1H2"	"BZHJMEDXRYGGRV-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"75-04-7"	"DTXSID8025678"	"Ethanamine"	"EPA_DSSTox"	"CCN"	"?"	"InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3"	"QUSNBJAOOMFDIB-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"75-05-8"	"DTXSID7020009"	"Acetonitrile"	"EPA_DSSTox"	"CC#N"	"?"	"InChI=1S/C2H3N/c1-2-3/h1H3"	"WEVYAHXRMPXWCK-UHFFFAOYSA-N"	FALSE	TRUE	2487.5	3	5
"75-07-0"	"DTXSID5039224"	"Acetaldehyde"	"EPA_DSSTox"	"CC=O"	"?"	"InChI=1S/C2H4O/c1-2-3/h2H,1H3"	"IKHGUXGNUITLKF-UHFFFAOYSA-N"	FALSE	FALSE	661	3	4
"75-08-1"	"DTXSID9026394"	"Ethanethiol"	"EPA_DSSTox"	"CCS"	"?"	"InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3"	"DNJIEGIFACGWOD-UHFFFAOYSA-N"	FALSE	FALSE	682	3	4
"75-12-7"	"DTXSID8025337"	"Formamide"	"EPA_DSSTox"	"NC=O"	"?"	"InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)"	"ZHNUHDYFZUAESO-UHFFFAOYSA-N"	FALSE	TRUE	5577	4	5
"75-15-0"	"DTXSID6023947"	"Carbon disulfide"	"EPA_DSSTox"	"S=C=S"	"?"	"InChI=1S/CS2/c2-1-3"	"QGJOPFRUJISHPQ-UHFFFAOYSA-N"	FALSE	FALSE	1200	3	4
"75-18-3"	"DTXSID9026398"	"Dimethyl sulfide"	"EPA_DSSTox"	"CSC"	"?"	"InChI=1S/C2H6S/c1-3-2/h1-2H3"	"QMMFVYPAHWMCMS-UHFFFAOYSA-N"	FALSE	TRUE	3300	3	5
"75-21-8"	"DTXSID0020600"	"Ethylene oxide"	"EPA_DSSTox"	"C1CO1"	"?"	"InChI=1S/C2H4O/c1-2-3-1/h1-2H2"	"IAYPIBMASNFSPL-UHFFFAOYSA-N"	FALSE	FALSE	72	2	3
"75-25-2"	"DTXSID1021374"	"Bromoform"	"EPA_DSSTox"	"BrC(Br)Br"	"?"	"InChI=1S/CHBr3/c2-1(3)4/h1H"	"DIKBFYAXUHHXCS-UHFFFAOYSA-N"	FALSE	FALSE	933	3	4
"75-27-4"	"DTXSID1020198"	"Bromodichloromethane"	"EPA_DSSTox"	"ClC(Cl)Br"	"?"	"InChI=1S/CHBrCl2/c2-1(3)4/h1H"	"FMWLUWPQPKEARP-UHFFFAOYSA-N"	FALSE	FALSE	916	3	4
"75-33-2"	"DTXSID1025481"	"Isopropyl mercaptan"	"EPA_DSSTox"	"CC(C)S"	"?"	"InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3"	"KJRCEJOSASVSRA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"75-34-3"	"DTXSID1020437"	"1,1-Dichloroethane"	"EPA_DSSTox"	"CC(Cl)Cl"	"?"	"InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3"	"SCYULBFZEHDVBN-UHFFFAOYSA-N"	FALSE	FALSE	725	3	4
"75-35-4"	"DTXSID8021438"	"1,1-Dichloroethylene"	"EPA_DSSTox"	"C=C(Cl)Cl"	"?"	"InChI=1S/C2H2Cl2/c1-2(3)4/h1H2"	"LGXVIGDEPROXKC-UHFFFAOYSA-N"	FALSE	FALSE	80	2	3
"75-36-5"	"DTXSID2023852"	"Acetyl chloride"	"EPA_DSSTox"	"CC(=O)Cl"	"?"	"InChI=1S/C2H3ClO/c1-2(3)4/h1H3"	"WETWJCDKMRHUPV-UHFFFAOYSA-N"	FALSE	FALSE	910	3	4
"75-47-8"	"DTXSID4020743"	"Iodoform"	"EPA_DSSTox"	"IC(I)I"	"?"	"InChI=1S/CHI3/c2-1(3)4/h1H"	"OKJPEAGHQZHRQV-UHFFFAOYSA-N"	FALSE	FALSE	355	2	4
"75-50-3"	"DTXSID2026238"	"Trimethylamine"	"EPA_DSSTox"	"CN(C)C"	"?"	"InChI=1S/C3H9N/c1-4(2)3/h1-3H3"	"GETQZCLCWQTVFV-UHFFFAOYSA-N"	FALSE	FALSE	460	2	4
"75-52-5"	"DTXSID2020977"	"Nitromethane"	"EPA_DSSTox"	"C[N+]([O-])=O"	"?"	"InChI=1S/CH3NO2/c1-2(3)4/h1H3"	"LYGJENNIWJXYER-UHFFFAOYSA-N"	FALSE	FALSE	940	3	4
"75-55-8"	"DTXSID8024286"	"Propyleneimine"	"EPA_DSSTox"	"CC1CN1"	"?"	"InChI=1S/C3H7N/c1-3-2-4-3/h3-4H,2H2,1H3"	"OZDGMOYKSFPLSE-UHFFFAOYSA-N"	TRUE	FALSE	19	1	2
"75-56-9"	"DTXSID5021207"	"1,2-Propylene oxide"	"EPA_DSSTox"	"CC1CO1"	"?"	"InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3"	"GOOHAUXETOMSMM-UHFFFAOYSA-N"	FALSE	FALSE	380	2	4
"75-59-2"	"DTXSID3029108"	"Tetramethylammonium hydroxide"	"EPA_DSSTox"	"C[N+](C)(C)C"	"[OH-]"	"InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1"	"QEMXHQIAXOOASZ-UHFFFAOYSA-N"	TRUE	FALSE	10	1	2
"75-64-9"	"DTXSID5024681"	"tert-Butylamine"	"EPA_DSSTox"	"CC(C)(C)N"	"?"	"InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3"	"YBRBMKDOPFTVDT-UHFFFAOYSA-N"	TRUE	FALSE	44	1	2
"75-65-0"	"DTXSID8020204"	"tert-Butyl alcohol"	"EPA_DSSTox"	"CC(C)(C)O"	"?"	"InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3"	"DKGAVHZHDRPRBM-UHFFFAOYSA-N"	FALSE	TRUE	2743	3	5
"75-66-1"	"DTXSID0026418"	"2-Methyl-2-propanethiol"	"EPA_DSSTox"	"CC(C)(C)S"	"?"	"InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3"	"WMXCDAVJEZZYLT-UHFFFAOYSA-N"	FALSE	TRUE	4729	3	5
"75-71-8"	"DTXSID6020436"	"Dichlorodifluoromethane"	"EPA_DSSTox"	"FC(F)(Cl)Cl"	"?"	"InChI=1S/CCl2F2/c2-1(3,4)5"	"PXBRQCKWGAHEHS-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"75-75-2"	"DTXSID4026422"	"Methanesulfonic acid"	"EPA_DSSTox"	"CS(O)(=O)=O"	"?"	"InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)"	"AFVFQIVMOAPDHO-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"75-76-3"	"DTXSID9026423"	"Tetramethylsilane"	"EPA_DSSTox"	"C[Si](C)(C)C"	"?"	"InChI=1S/C4H12Si/c1-5(2,3)4/h1-4H3"	"CZDYPVPMEAXLPK-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"75-78-5"	"DTXSID9026425"	"Dimethyldichlorosilane"	"EPA_DSSTox"	"C[Si](C)(Cl)Cl"	"?"	"InChI=1S/C2H6Cl2Si/c1-5(2,3)4/h1-2H3"	"LIKFHECYJZWXFJ-UHFFFAOYSA-N"	FALSE	FALSE	595	3	4
"75-79-6"	"DTXSID4026426"	"Methyltrichlorosilane"	"EPA_DSSTox"	"C[Si](Cl)(Cl)Cl"	"?"	"InChI=1S/CH3Cl3Si/c1-5(2,3)4/h1H3"	"JLUFWMXJHAVVNN-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"75-81-0"	"DTXSID8058790"	"Ethane, 1,2-dibromo-1,1-dichloro-"	"EPA_DSSTox"	"ClC(Cl)(Br)CBr"	"?"	"InChI=1S/C2H2Br2Cl2/c3-1-2(4,5)6/h1H2"	"FIYBYNHDEOSJPL-UHFFFAOYSA-N"	FALSE	FALSE	205	2	3
"75-87-6"	"DTXSID7024744"	"Chloral"	"EPA_DSSTox"	"O=CC(Cl)(Cl)Cl"	"?"	"InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H"	"HFFLGKNGCAIQMO-UHFFFAOYSA-N"	FALSE	FALSE	480	2	4
"75-91-2"	"DTXSID9024693"	"tert-Butyl hydroperoxide"	"EPA_DSSTox"	"CC(C)(C)OO"	"?"	"InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3"	"CIHOLLKRGTVIJN-UHFFFAOYSA-N"	FALSE	FALSE	370	2	4
"75-97-8"	"DTXSID5021752"	"3,3-Dimethyl-2-butanone"	"EPA_DSSTox"	"CC(=O)C(C)(C)C"	"?"	"InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3"	"PJGSXYOJTGTZAV-UHFFFAOYSA-N"	FALSE	FALSE	610	3	4
"7508-73-8"	"DTXSID70226058"	"Phosphorothioic acid, O,O-bis(p-nitrophenyl) O-ethyl ester"	"EPA_DSSTox"	"CCOP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)OC1C=CC(=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C14H13N2O7PS/c1-2-21-24(25,22-13-7-3-11(4-8-13)15(17)18)23-14-9-5-12(6-10-14)16(19)20/h3-10H,2H2,1H3"	"SPAIIFJILQXFKL-UHFFFAOYSA-N"	FALSE	FALSE	66.9	2	3
"75096-86-5"	NA	NA	"Public_CrossChecked"	"CN(C(=O)OC1C=CC=C2CC(C)(C)OC2=1)C(=O)C[N+](C)(C)C"	"[Cl-]"	"InChI=1S/C17H25N2O4/c1-17(2)10-12-8-7-9-13(15(12)23-17)22-16(21)18(3)14(20)11-19(4,5)6/h7-9H,10-11H2,1-6H3/q+1"	"SYSXOQGUMSFJRZ-UHFFFAOYSA-N"	TRUE	FALSE	33.59	1	2
"751-73-5"	NA	NA	"Public_CrossChecked"	"COC1C=CC2=C(C=1)NC1C3CC4C(C(OC)C(CC4CN3CCC=12)OC1CCCCO1)C(=O)OC"	"?"	"InChI=1S/C28H38N2O6/c1-32-17-7-8-18-19-9-10-30-15-16-12-23(36-24-6-4-5-11-35-24)27(33-2)25(28(31)34-3)20(16)14-22(30)26(19)29-21(18)13-17/h7-8,13,16,20,22-25,27,29H,4-6,9-12,14-15H2,1-3H3"	"VTHDACIJKLUNPX-UHFFFAOYSA-N"	FALSE	FALSE	173	2	3
"75147-20-5"	"DTXSID5072802"	"3-Butenoic acid, 2,2,3,4,4-pentachloro-, butyl ester"	"EPA_DSSTox"	"CCCCOC(=O)C(Cl)(Cl)C(Cl)=C(Cl)Cl"	"?"	"InChI=1S/C8H9Cl5O2/c1-2-3-4-15-7(14)8(12,13)5(9)6(10)11/h2-4H2,1H3"	"JZJILZTVTMMGAR-UHFFFAOYSA-N"	FALSE	TRUE	2090	3	5
"752-56-7"	"DTXSID6046892"	"Riboflavin tetrabutyrate"	"EPA_DSSTox"	"CC1=CC2=C(C=C1C)N=C1C(=NC(=O)NC1=O)N2CC(OC(=O)CCC)C(OC(=O)CCC)C(COC(=O)CCC)OC(=O)CCC"	"?"	"InChI=1S/C33H44N4O10/c1-7-11-25(38)44-18-24(46-27(40)13-9-3)30(47-28(41)14-10-4)23(45-26(39)12-8-2)17-37-22-16-20(6)19(5)15-21(22)34-29-31(37)35-33(43)36-32(29)42/h15-16,23-24,30H,7-14,17-18H2,1-6H3,(H,36,42,43)"	"MJNIWUJSIGSWKK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"75219-46-4"	NA	NA	"Public_CrossChecked"	"CC12CCC3C(CCC4C=C(C=CC=43)OC(=O)C3C=CC=CC=3)C1CCC2OC(=O)COC(=O)CCCC1C=CC(=CC=1)N(CCCl)CCCl"	"?"	"InChI=1S/C41H47Cl2NO6/c1-41-21-20-34-33-17-15-32(49-40(47)29-7-3-2-4-8-29)26-30(33)12-16-35(34)36(41)18-19-37(41)50-39(46)27-48-38(45)9-5-6-28-10-13-31(14-11-28)44(24-22-42)25-23-43/h2-4,7-8,10-11,13-15,17,26,34-37H,5-6,9,12,16,18-25,27H2,1H3"	"IFJUINDAXYAPTO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"75219-61-3"	NA	NA	"Public_CrossChecked"	"CC12CCC3C(CCC4C=C(C=CC=43)OC(=O)C3C=CC=CC=3)C1CCC2OC(O)C=O"	"?"	"InChI=1S/C27H30O5/c1-27-14-13-21-20-10-8-19(31-26(30)17-5-3-2-4-6-17)15-18(20)7-9-22(21)23(27)11-12-24(27)32-25(29)16-28/h2-6,8,10,15-16,21-25,29H,7,9,11-14H2,1H3"	"YGMDCHCIJLHAMM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"75224-39-4"	NA	NA	"Public_CrossChecked"	"C1NCCOC1COC1C=CC=CC=1C1CCCCC1"	"Cl"	"InChI=1S/C17H25NO2/c1-2-6-14(7-3-1)16-8-4-5-9-17(16)20-13-15-12-18-10-11-19-15/h4-5,8-9,14-15,18H,1-3,6-7,10-13H2"	"CIHQYOXITLEUNN-UHFFFAOYSA-N"	FALSE	FALSE	1120	3	4
"75259-63-1"	"DTXSID40226227"	"1H-Indole, 5-bromo-3-(4-piperidinylmethyl)-"	"EPA_DSSTox"	"BrC1C=CC2NC=C(CC3CCNCC3)C=2C=1"	"?"	"InChI=1S/C14H17BrN2/c15-12-1-2-14-13(8-12)11(9-17-14)7-10-3-5-16-6-4-10/h1-2,8-10,16-17H,3-7H2"	"BYKSCLVBTLQLDK-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"7526-26-3"	"DTXSID2064731"	"Phosphonic acid, methyl-, diphenyl ester"	"EPA_DSSTox"	"CP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1"	"?"	"InChI=1S/C13H13O3P/c1-17(14,15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2-11H,1H3"	"HPUPGAFDTWIMBR-UHFFFAOYSA-N"	FALSE	FALSE	233	2	3
"75274-14-5"	"DTXSID90226237"	"Acetic acid, ((6-methoxy-4-pyrimidinyl)amino)oxo-, ethyl ester"	"EPA_DSSTox"	"COC1C=C(NC(=O)C(=O)OCC)N=CN=1"	"?"	"InChI=1S/C9H11N3O4/c1-3-16-9(14)8(13)12-6-4-7(15-2)11-5-10-6/h4-5H,3H2,1-2H3,(H,10,11,12,13)"	"ZNTHGRHRFDPBSA-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"75274-15-6"	"DTXSID50226238"	"Acetic acid, ((6-methoxy-2-methyl-4-pyrimidinyl)amino)oxo-, ethyl ester"	"EPA_DSSTox"	"CC1N=C(C=C(NC(=O)C(=O)OCC)N=1)OC"	"?"	"InChI=1S/C10H13N3O4/c1-4-17-10(15)9(14)13-7-5-8(16-3)12-6(2)11-7/h5H,4H2,1-3H3,(H,11,12,13,14)"	"FNBMUGORXCQDTE-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"75274-16-7"	"DTXSID10226239"	"Acetic acid, ((6-methoxy-2-phenyl-4-pyrimidinyl)amino)oxo-, ethyl ester"	"EPA_DSSTox"	"COC1=CC(NC(=O)C(=O)OCC)=NC(=N1)C1C=CC=CC=1"	"?"	"InChI=1S/C15H15N3O4/c1-3-22-15(20)14(19)17-11-9-12(21-2)18-13(16-11)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,16,17,18,19)"	"DZGVNZNKUVUXRI-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"75274-18-9"	"DTXSID80226241"	"Acetic acid, ((2-methyl-6-(2-(phenylmethoxy)ethoxy)-4-pyrimidinyl)amino)oxo-, ethyl ester"	"EPA_DSSTox"	"CC1N=C(C=C(N=1)OCCOCC1C=CC=CC=1)NC(=O)C(=O)OCC"	"?"	"InChI=1S/C18H21N3O5/c1-3-25-18(23)17(22)21-15-11-16(20-13(2)19-15)26-10-9-24-12-14-7-5-4-6-8-14/h4-8,11H,3,9-10,12H2,1-2H3,(H,19,20,21,22)"	"ODPKTZBNHHWEBW-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"75274-19-0"	"DTXSID40226242"	"Acetic acid, ((2-methyl-6-(methylthio)-4-pyrimidinyl)amino)oxo-, ethyl ester"	"EPA_DSSTox"	"CC1N=C(C=C(N=1)SC)NC(=O)C(=O)OCC"	"?"	"InChI=1S/C10H13N3O3S/c1-4-16-10(15)9(14)13-7-5-8(17-3)12-6(2)11-7/h5H,4H2,1-3H3,(H,11,12,13,14)"	"KRRXURJUWUUXDV-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"75274-20-3"	"DTXSID00226243"	"Ethanedioic acid, 2-((6-((ethoxyoxoacetyl)amino)-2-methyl-4-pyrimidinyl)thio)ethyl ethyl ester"	"EPA_DSSTox"	"CC1N=C(C=C(N=1)SCCOC(=O)C(=O)OCC)NC(=O)C(=O)OCC"	"?"	"InChI=1S/C15H19N3O7S/c1-4-23-13(20)12(19)18-10-8-11(17-9(3)16-10)26-7-6-25-15(22)14(21)24-5-2/h8H,4-7H2,1-3H3,(H,16,17,18,19)"	"YYFVACZETOSTOJ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"75274-22-5"	"DTXSID20226245"	"Acetic acid, oxo(4-pyrimidinylamino)-, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)C(=O)NC1=CC=NC=N1"	"?"	"InChI=1S/C8H9N3O3/c1-2-14-8(13)7(12)11-6-3-4-9-5-10-6/h3-5H,2H2,1H3,(H,9,10,11,12)"	"KSKJAAMBBDMWOE-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"75274-23-6"	"DTXSID80226246"	"Acetic acid, ((2,6-dimethoxy-4-pyrimidinyl)amino)oxo-, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)C(=O)NC1=CC(=NC(=N1)OC)OC"	"?"	"InChI=1S/C10H13N3O5/c1-4-18-9(15)8(14)11-6-5-7(16-2)13-10(12-6)17-3/h5H,4H2,1-3H3,(H,11,12,13,14)"	"WHFRPMSJQXSTNS-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"75274-25-8"	"DTXSID40226247"	"Propanoic acid, 3-((6-((ethoxyoxoacetyl)amino)-4-pyrimidinyl)thio)-, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)C(=O)NC1C=C(N=CN=1)SCCC(=O)OCC"	"?"	"InChI=1S/C13H17N3O5S/c1-3-20-11(17)5-6-22-10-7-9(14-8-15-10)16-12(18)13(19)21-4-2/h7-8H,3-6H2,1-2H3,(H,14,15,16,18)"	"GTYDIXVGSWIJOW-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"75274-27-0"	"DTXSID60226249"	"Acetic acid, ((6-((2-methoxyethyl)thio)-4-pyrimidinyl)amino)oxo-, ethyl ester"	"EPA_DSSTox"	"COCCSC1=CC(NC(=O)C(=O)OCC)=NC=N1"	"?"	"InChI=1S/C11H15N3O4S/c1-3-18-11(16)10(15)14-8-6-9(13-7-12-8)19-5-4-17-2/h6-7H,3-5H2,1-2H3,(H,12,13,14,15)"	"LJIARKPLCRQHRB-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"75274-28-1"	NA	NA	"Public_CrossChecked"	"COCCOCCOC1C=C(NC(=O)C(=O)OCC)N=CN=1"	"?"	"InChI=1S/C13H19N3O6/c1-3-21-13(18)12(17)16-10-8-11(15-9-14-10)22-7-6-20-5-4-19-2/h8-9H,3-7H2,1-2H3,(H,14,15,16,17)"	"GAVDJFCUKYTIKS-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"75274-29-2"	"DTXSID70226250"	"Acetic acid, ((6-((2-(2-methoxyethoxy)ethyl)thio)-4-pyrimidinyl)amino)oxo-, ethyl ester"	"EPA_DSSTox"	"COCCOCCSC1=CC(NC(=O)C(=O)OCC)=NC=N1"	"?"	"InChI=1S/C13H19N3O5S/c1-3-21-13(18)12(17)16-10-8-11(15-9-14-10)22-7-6-20-5-4-19-2/h8-9H,3-7H2,1-2H3,(H,14,15,16,17)"	"VUWMNPIYQWFDAA-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"7529-22-8"	"DTXSID3029287"	"4-Methylmorpholine 4-oxide"	"EPA_DSSTox"	"C[N+]1([O-])CCOCC1"	"?"	"InChI=1S/C5H11NO2/c1-6(7)2-4-8-5-3-6/h2-5H2,1H3"	"LFTLOKWAGJYHHR-UHFFFAOYSA-N"	FALSE	TRUE	9200	4	5
"7531-52-4"	"DTXSID00226268"	"Prolinamide"	"EPA_DSSTox"	"NC(=O)C1CCCN1"	"?"	"InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)"	"VLJNHYLEOZPXFW-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"7533-79-1"	"DTXSID70226290"	"Phosphorothioic acid, O-(2,5-dichloro-4-iodophenyl) O,O-diethyl ester"	"EPA_DSSTox"	"CCOP(=S)(OC1C=C(Cl)C(I)=CC=1Cl)OCC"	"?"	"InChI=1S/C10H12Cl2IO3PS/c1-3-14-17(18,15-4-2)16-10-6-7(11)9(13)5-8(10)12/h5-6H,3-4H2,1-2H3"	"GXEPRTHEHNIAKD-UHFFFAOYSA-N"	FALSE	FALSE	140	2	3
"7535-34-4"	NA	NA	"Public_CrossChecked"	"CC(C)CCCC(C)NN"	"?"	"InChI=1S/C8H20N2/c1-7(2)5-4-6-8(3)10-9/h7-8,10H,4-6,9H2,1-3H3"	"WAYKZORTCXXXDO-UHFFFAOYSA-N"	FALSE	FALSE	108	2	3
"754-91-6"	"DTXSID3038939"	"PFOSA"	"EPA_DSSTox"	"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"	FALSE	FALSE	NA	2	3
"75443-99-1"	"DTXSID4046658"	"Aclarubicin hydrochloride"	"EPA_DSSTox"	"COC(=O)C1C2C=C3C(C(=O)C4=C(C=CC=C4O)C3=O)=C(O)C=2C(CC1(O)CC)OC1CC(C(OC2CC(O)C(OC3CCC(=O)C(C)O3)C(C)O2)C(C)O1)N(C)C"	"Cl"	"InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3"	"USZYSDMBJDPRIF-UHFFFAOYSA-N"	FALSE	FALSE	58.56	2	3
"7545-48-4"	NA	NA	"Public_CrossChecked"	"OC1C(COP(O)(O)=O)OC(C1O)[n]1ccc(=O)[nH]c1=O"	"[Na+].[Na+]"	"InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)"	"DJJCXFVJDGTHFX-UHFFFAOYSA-N"	FALSE	TRUE	12000	4	5
"75464-11-8"	"DTXSID10226395"	"Butantrone"	"EPA_DSSTox"	"CCCC(=O)C1C2=CC=CC(O)=C2C(=O)C2C1=CC=CC=2O"	"?"	"InChI=1S/C18H16O4/c1-2-5-12(19)15-10-6-3-8-13(20)16(10)18(22)17-11(15)7-4-9-14(17)21/h3-4,6-9,15,20-21H,2,5H2,1H3"	"AHZXFRRDQXXPJD-UHFFFAOYSA-N"	FALSE	FALSE	1579	3	4
"75498-96-3"	"DTXSID6048591"	"Cefminox sodium"	"EPA_DSSTox"	"CN1N=NN=C1SCC1CSC2N(C=1C(O)=O)C(=O)C2(NC(=O)CSCC(N)C(O)=O)OC"	"[Na+]"	"InChI=1S/C16H21N7O7S3/c1-22-15(19-20-21-22)33-4-7-3-32-14-16(30-2,13(29)23(14)10(7)12(27)28)18-9(24)6-31-5-8(17)11(25)26/h8,14H,3-6,17H2,1-2H3,(H,18,24)(H,25,26)(H,27,28)"	"JSDXOWVAHXDYCU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"75507-68-5"	"DTXSID8045771"	"Flupirtine maleate"	"EPA_DSSTox"	"CCOC(=O)NC1=CC=C(NCC2=CC=C(F)C=C2)N=C1N"	"OC(=O)/C=C\C(O)=O"	"InChI=1S/C15H17FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20)"	"JUUFBMODXQKSTD-UHFFFAOYSA-N"	FALSE	FALSE	1660	3	4
"75511-23-8"	"DTXSID90226459"	"Deschlorobenzoylacemetacin"	"EPA_DSSTox"	"CC1NC2C=CC(=CC=2C=1CC(=O)OCC(O)=O)OC"	"?"	"InChI=1S/C14H15NO5/c1-8-10(6-14(18)20-7-13(16)17)11-5-9(19-2)3-4-12(11)15-8/h3-5,15H,6-7H2,1-2H3,(H,16,17)"	"DQBOZICMPBWODK-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"75511-25-0"	"DTXSID00226460"	"1H-Indole-3-acetic acid, 5-hydroxy-2-methyl-, carboxymethyl ester"	"EPA_DSSTox"	"CC1NC2=CC=C(O)C=C2C=1CC(=O)OCC(O)=O"	"?"	"InChI=1S/C13H13NO5/c1-7-9(5-13(18)19-6-12(16)17)10-4-8(15)2-3-11(10)14-7/h2-4,14-15H,5-6H2,1H3,(H,16,17)"	"KAKQKMNJRNOJLA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"75530-68-6"	"DTXSID2046624"	"Nilvadipine"	"EPA_DSSTox"	"CC1NC(C#N)=C(C(C=1C(=O)OC(C)C)C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC"	"?"	"InChI=1S/C19H19N3O6/c1-10(2)28-19(24)15-11(3)21-14(9-20)17(18(23)27-4)16(15)12-6-5-7-13(8-12)22(25)26/h5-8,10,16,21H,1-4H3"	"FAIIFDPAEUKBEP-UHFFFAOYSA-N"	FALSE	FALSE	1560	3	4
"756-80-9"	"DTXSID5027306"	"Phosphorodithioic acid, O,O-dimethyl ester"	"EPA_DSSTox"	"COP(S)(=S)OC"	"?"	"InChI=1S/C2H7O2PS2/c1-3-5(6,7)4-2/h1-2H3,(H,6,7)"	"CZGGKXNYNPJFAX-UHFFFAOYSA-N"	FALSE	FALSE	694	3	4
"756-91-2"	NA	NA	"Public_CrossChecked"	"CC(CC(O)(C(F)(F)F)C(F)(F)F)=CC(O)(C(F)(F)F)C(F)(F)F"	"?"	"InChI=1S/C10H8F12O2/c1-4(2-5(23,7(11,12)13)8(14,15)16)3-6(24,9(17,18)19)10(20,21)22/h2,23-24H,3H2,1H3"	"PTHJGFDUQRGSRD-UHFFFAOYSA-N"	TRUE	FALSE	18	1	2
"7560-83-0"	"DTXSID6044727"	"N-Cyclohexyl-N-methylcyclohexanamine"	"EPA_DSSTox"	"CN(C1CCCCC1)C1CCCCC1"	"?"	"InChI=1S/C13H25N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3"	"GSCCALZHGUWNJW-UHFFFAOYSA-N"	FALSE	FALSE	446	2	4
"75659-08-4"	"DTXSID7020477"	"(R,R)-Dilevalol hydrochloride"	"EPA_DSSTox"	"CC(CCC1C=CC=CC=1)NCC(O)C1=CC(=C(O)C=C1)C(N)=O"	"Cl"	"InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)"	"SGUAFYQXFOLMHL-UHFFFAOYSA-N"	FALSE	FALSE	1026	3	4
"75696-02-5"	NA	NA	"Public_CrossChecked"	"N#CCCN1C(O)C(=O)N=C(C2=CC(Cl)=CC=C12)C1=CC=CC=C1F"	"?"	"InChI=1S/C18H13ClFN3O2/c19-11-6-7-15-13(10-11)16(12-4-1-2-5-14(12)20)22-17(24)18(25)23(15)9-3-8-21/h1-2,4-7,10,18,25H,3,9H2"	"VURIJHWNVJGSJB-UHFFFAOYSA-N"	FALSE	TRUE	3500	3	5
"757-86-8"	NA	NA	"Public_CrossChecked"	"COC(=O)CSP(=S)(OC)OC"	"?"	"InChI=1S/C5H11O4PS2/c1-7-5(6)4-12-10(11,8-2)9-3/h4H2,1-3H3"	"PLZVCZLWZIJPPO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"75706-12-6"	"DTXSID9023201"	"Leflunomide"	"EPA_DSSTox"	"CC1ON=CC=1C(=O)NC1C=CC(=CC=1)C(F)(F)F"	"?"	"InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)"	"VHOGYURTWQBHIL-UHFFFAOYSA-N"	FALSE	FALSE	235	2	3
"757251-39-1"	"DTXSID10676336"	"4-(4-Amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide"	"EPA_DSSTox"	"CNC(=O)C1=CC(=CC=N1)OC1=CC(F)=C(N)C=C1"	"?"	"InChI=1S/C13H12FN3O2/c1-16-13(18)12-7-9(4-5-17-12)19-8-2-3-11(15)10(14)6-8/h2-7H,15H2,1H3,(H,16,18)"	"ZQHJPIPGBODVTG-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"75736-33-3"	"DTXSID2058178"	"Diclobutrazol"	"EPA_DSSTox"	"CC(C)(C)C(O)C(CC1=CC=C(Cl)C=C1Cl)N1C=NC=N1"	"?"	"InChI=1S/C15H19Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-5,7-9,13-14,21H,6H2,1-3H3"	"URDNHJIVMYZFRT-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"7575-23-7"	"DTXSID1044728"	"3-[(3-Sulfanylpropanoyl)oxy]-2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}propyl 3-sulfanylpropanoate"	"EPA_DSSTox"	"O=C(CCS)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS"	"?"	"InChI=1S/C17H28O8S4/c18-13(1-5-26)22-9-17(10-23-14(19)2-6-27,11-24-15(20)3-7-28)12-25-16(21)4-8-29/h26-29H,1-12H2"	"JOBBTVPTPXRUBP-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"75764-58-8"	NA	NA	"Public_CrossChecked"	"CCC(=O)N(C1CC2C3C=CC=CC=3C(CN2CC1)C1=CC=CC=C1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C28H30N2O/c1-2-28(31)30(22-13-7-4-8-14-22)23-17-18-29-20-26(21-11-5-3-6-12-21)24-15-9-10-16-25(24)27(29)19-23/h3-16,23,26-27H,2,17-20H2,1H3"	"ASBWZSLPLOXCAV-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"7585-39-9"	"DTXSID1020358"	"beta-Cyclodextrin"	"EPA_DSSTox"	"OC1C2OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(OC7OC(CO)C(OC8OC(CO)C(OC(OC2CO)C1O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O"	"?"	"InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2"	"WHGYBXFWUBPSRW-UHFFFAOYSA-N"	FALSE	TRUE	18800	4	5
"7585-41-3"	"DTXSID4027654"	"2-Naphthalenecarboxylic acid, 4-[(5-chloro-4-methyl-2-sulfophenyl)azo]-3-hydroxy-, barium salt (1:1)"	"EPA_DSSTox"	"CC1=CC(=C(C=C1Cl)N=NC1=C2C=CC=CC2=CC(=C1O)C(O)=O)S(O)(=O)=O"	"[Ba+2]"	"InChI=1S/C18H13ClN2O6S/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24/h2-8,22H,1H3,(H,23,24)(H,25,26,27)"	"LZNMMJSXOXXHFD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"75867-00-4"	"DTXSID1041972"	"Fenfluthrin"	"EPA_DSSTox"	"CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1C(F)=C(F)C(F)=C(F)C=1F"	"?"	"InChI=1S/C15H11Cl2F5O2/c1-15(2)6(3-7(16)17)8(15)14(23)24-4-5-9(18)11(20)13(22)12(21)10(5)19/h3,6,8H,4H2,1-2H3"	"YATDSXRLIUJOQN-UHFFFAOYSA-N"	FALSE	FALSE	85	2	3
"75889-62-2"	"DTXSID70226811"	"Fostedil"	"EPA_DSSTox"	"CCOP(=O)(CC1C=CC(=CC=1)C1=NC2=CC=CC=C2S1)OCC"	"?"	"InChI=1S/C18H20NO3PS/c1-3-21-23(20,22-4-2)13-14-9-11-15(12-10-14)18-19-16-7-5-6-8-17(16)24-18/h5-12H,3-4,13H2,1-2H3"	"FVYRUSCZCWSFLT-UHFFFAOYSA-N"	FALSE	FALSE	1555	3	4
"759-94-4"	"DTXSID1024091"	"EPTC"	"EPA_DSSTox"	"CCSC(=O)N(CCC)CCC"	"?"	"InChI=1S/C9H19NOS/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3"	"GUVLYNGULCJVDO-UHFFFAOYSA-N"	FALSE	FALSE	916	3	4
"7597-60-6"	"DTXSID90226873"	"6-Amino-5-formamido-1,3-dimethyluracil"	"EPA_DSSTox"	"CN1C(=O)C(NC=O)=C(N)N(C)C1=O"	"?"	"InChI=1S/C7H10N4O3/c1-10-5(8)4(9-3-12)6(13)11(2)7(10)14/h3H,8H2,1-2H3,(H,9,12)"	"ZNDGAXCBZGSJGU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"75980-60-8"	"DTXSID4052502"	"Diphenyl(2,4,6-trimethylbenzoyl)phosphine oxide"	"EPA_DSSTox"	"CC1C=C(C)C=C(C)C=1C(=O)P(=O)(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C22H21O2P/c1-16-14-17(2)21(18(3)15-16)22(23)25(24,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3"	"VFHVQBAGLAREND-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"76-00-6"	NA	NA	"Public_CrossChecked"	"CC(O)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C3H5Cl3O/c1-2(7)3(4,5)6/h2,7H,1H3"	"HCMBPASAOZIEDZ-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"76-02-8"	"DTXSID9034070"	"Trichloroacetyl chloride"	"EPA_DSSTox"	"O=C(Cl)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C2Cl4O/c3-1(7)2(4,5)6"	"PVFOMCVHYWHZJE-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"76-05-1"	"DTXSID9041578"	"Acetic acid, trifluoro-"	"EPA_DSSTox"	"OC(=O)C(F)(F)F"	"?"	"InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)"	"DTQVDTLACAAQTR-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"76-06-2"	"DTXSID0020315"	"Chloropicrin"	"EPA_DSSTox"	"[O-][N+](=O)C(Cl)(Cl)Cl"	"?"	"InChI=1S/CCl3NO2/c2-1(3,4)5(6)7"	"LFHISGNCFUNFFM-UHFFFAOYSA-N"	TRUE	FALSE	37.5	1	2
"76-11-9"	"DTXSID90861622"	"1,1,1,2-Tetrachloro-2,2-difluoroethane"	"EPA_DSSTox"	"FC(F)(Cl)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C2Cl4F2/c3-1(4,5)2(6,7)8"	"SLGOCMATMKJJCE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"76-21-1"	"DTXSID50226894"	"Hexadecafluoro-nonanoic acid"	"EPA_DSSTox"	"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"	"?"	"InChI=1S/C9H2F16O2/c10-1(11)3(12,13)5(16,17)7(20,21)9(24,25)8(22,23)6(18,19)4(14,15)2(26)27/h1H,(H,26,27)"	"RARQGXBOCXOJPM-UHFFFAOYSA-N"	FALSE	FALSE	821	3	4
"76-29-9"	"DTXSID10858711"	"3-Bromo camphor"	"EPA_DSSTox"	"CC1(C)C2CCC1(C)C(=O)C2Br"	"?"	"InChI=1S/C10H15BrO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-7H,4-5H2,1-3H3"	"NJQADTYRAYFBJN-UHFFFAOYSA-N"	FALSE	TRUE	4450	3	5
"76-38-0"	"DTXSID7025556"	"Methoxyflurane"	"EPA_DSSTox"	"COC(F)(F)C(Cl)Cl"	"?"	"InChI=1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3"	"RFKMCNOHBTXSMU-UHFFFAOYSA-N"	FALSE	TRUE	3600	3	5
"76-44-8"	"DTXSID3020679"	"Heptachlor"	"EPA_DSSTox"	"ClC1(Cl)C2(Cl)C3C=CC(Cl)C3C1(Cl)C(Cl)=C2Cl"	"?"	"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"	TRUE	FALSE	40	1	2
"76-50-6"	"DTXSID20873576"	"Bornyl isovalerate"	"EPA_DSSTox"	"CC1(C)C2CC(OC(=O)CC(C)C)C1(C)CC2"	"?"	"InChI=1S/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3"	"MPYYVGIJHREDBO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"76-73-3"	"DTXSID6044145"	"Secobarbital"	"EPA_DSSTox"	"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"	FALSE	FALSE	125	2	3
"76-99-3"	"DTXSID7023273"	"Methadone"	"EPA_DSSTox"	"CCC(=O)C(CC(C)N(C)C)(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3"	"USSIQXCVUWKGNF-UHFFFAOYSA-N"	FALSE	FALSE	86	2	3
"7601-87-8"	"DTXSID20226922"	"Oxamide, N,N'-dimethyl-N,N'-dinitroso-"	"EPA_DSSTox"	"CN(N=O)C(=O)C(=O)N(C)N=O"	"?"	"InChI=1S/C4H6N4O4/c1-7(5-11)3(9)4(10)8(2)6-12/h1-2H3"	"CBWVWOOEXJQIFA-UHFFFAOYSA-N"	FALSE	FALSE	96	2	3
"76144-81-5"	NA	NA	"Public_CrossChecked"	"C[N+](C)(C)NCCC(O)=O"	"?"	"InChI=1S/C6H14N2O2/c1-8(2,3)7-5-4-6(9)10/h7H,4-5H2,1-3H3/p+1"	"PVBQYTCFVWZSJK-UHFFFAOYSA-O"	FALSE	TRUE	NA	4	5
"762-04-9"	"DTXSID9041861"	"Diethyl phosphite"	"EPA_DSSTox"	"CCOP(O)OCC"	"?"	"InChI=1S/C4H11O3P/c1-3-6-8(5)7-4-2/h5H,3-4H2,1-2H3"	"SULWMEGSVQCTSK-UHFFFAOYSA-N"	FALSE	TRUE	3500	3	5
"762-70-9"	"DTXSID1073236"	"Ethanesulfonyl fluoride, 2-chloro-"	"EPA_DSSTox"	"O=S(=O)(F)CCCl"	"?"	"InChI=1S/C2H4ClFO2S/c3-1-2-7(4,5)6/h1-2H2"	"UWHZNPZESCRRJT-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"7620-77-1"	"DTXSID9027655"	"Octadecanoic acid, 12-hydroxy-, monolithium salt"	"EPA_DSSTox"	"CCCCCCC(O)CCCCCCCCCCC(O)=O"	"[Li+]"	"InChI=1S/C18H36O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)"	"ULQISTXYYBZJSJ-UHFFFAOYSA-N"	FALSE	NA	NA	NA	NA
"7621-86-5"	"DTXSID0064755"	"1H-Benzimidazol-5-amine, 2-(4-aminophenyl)-"	"EPA_DSSTox"	"NC1C=C2N=C(NC2=CC=1)C1C=CC(N)=CC=1"	"?"	"InChI=1S/C13H12N4/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,14-15H2,(H,16,17)"	"XAFOTXWPFVZQAZ-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"76231-76-0"	"DTXSID3040774"	"(-)-alpha,beta-Thujone"	"EPA_DSSTox"	"CC(C)C12CC1C(C)C(=O)C2"	"?"	"InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3"	"USMNOWBWPHYOEA-UHFFFAOYSA-N"	FALSE	FALSE	192	2	3
"763-32-6"	"DTXSID4052506"	"3-Methylbut-3-en-1-ol"	"EPA_DSSTox"	"CC(=C)CCO"	"?"	"InChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3"	"CPJRRXSHAYUTGL-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"763-69-9"	"DTXSID0027309"	"Ethyl 3-ethoxypropionate"	"EPA_DSSTox"	"CCOC(=O)CCOCC"	"?"	"InChI=1S/C7H14O3/c1-3-9-6-5-7(8)10-4-2/h3-6H2,1-2H3"	"BHXIWUJLHYHGSJ-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"7633-57-0"	"DTXSID00227194"	"Indoline, 1-nitroso-"	"EPA_DSSTox"	"O=NN1CCC2=CC=CC=C12"	"?"	"InChI=1S/C8H8N2O/c11-9-10-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2"	"QVXPAHMYCSEIMA-UHFFFAOYSA-N"	FALSE	FALSE	320	2	4
"76343-28-7"	"DTXSID70227207"	"3,5-Pyrazolidinedione, 1,2-diphenyl-4-(2-(phenylthio)ethyl)-, sodium salt"	"EPA_DSSTox"	"O=C1C(CCSC2C=CC=CC=2)C(=O)N(C2C=CC=CC=2)N1C1C=CC=CC=1"	"[Na+]"	"InChI=1S/C23H20N2O2S/c26-22-21(16-17-28-20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2"	"PLGXGMUJUXKCDD-UHFFFAOYSA-N"	FALSE	FALSE	450	2	4
"7635-51-0"	"DTXSID90227209"	"Phendimetrazine hydrochloride"	"EPA_DSSTox"	"CC1C(OCCN1C)C1C=CC=CC=1"	"Cl"	"InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3"	"MFOCDFTXLCYLKU-UHFFFAOYSA-N"	FALSE	FALSE	455	2	4
"76379-66-3"	"DTXSID8073635"	"5,7,11-Dodecatriyn-1-ol"	"EPA_DSSTox"	"C#CCCC#CC#CCCCCO"	"?"	"InChI=1S/C12H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h1,13H,3-4,9-12H2"	"TWBPLYADCPQACM-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"76487-32-6"	NA	NA	"Public_CrossChecked"	"COC1C=CC=CC=1N1CCN(CCCOC2C=CC(N)=CC=2)CC1"	"Cl.Cl"	"InChI=1S/C20H27N3O2/c1-24-20-6-3-2-5-19(20)23-14-12-22(13-15-23)11-4-16-25-18-9-7-17(21)8-10-18/h2-3,5-10H,4,11-16,21H2,1H3"	"OVTOGSIGZHPHRK-UHFFFAOYSA-N"	FALSE	FALSE	416	2	4
"76487-48-4"	"DTXSID90227289"	"4-Quinolinemethanol, 6,8-dichloro-alpha-(2-piperidyl)-2-(trifluoromethyl)-, methanesulfonate,hemihydrate"	"EPA_DSSTox"	"OC(C1CCCCN1)C1=CC(=NC2C(Cl)=CC(Cl)=CC=21)C(F)(F)F"	"S(O)(=O)(=O)C"	"InChI=1S/C16H15Cl2F3N2O/c17-8-5-9-10(15(24)12-3-1-2-4-22-12)7-13(16(19,20)21)23-14(9)11(18)6-8/h5-7,12,15,22,24H,1-4H2"	"GBOMJGJESBMUBL-UHFFFAOYSA-N"	FALSE	FALSE	1134	3	4
"765-12-8"	"DTXSID1044986"	"3,6,9,12-Tetraoxatetradeca-1,13-diene"	"EPA_DSSTox"	"C=COCCOCCOCCOC=C"	"?"	"InChI=1S/C10H18O4/c1-3-11-5-7-13-9-10-14-8-6-12-4-2/h3-4H,1-2,5-10H2"	"CYIGRWUIQAVBFG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"765-30-0"	"DTXSID9061099"	"Cyclopropanamine"	"EPA_DSSTox"	"NC1CC1"	"?"	"InChI=1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2"	"HTJDQJBWANPRPF-UHFFFAOYSA-N"	FALSE	FALSE	445	2	4
"765-34-4"	"DTXSID9020665"	"Glycidaldehyde"	"EPA_DSSTox"	"O=CC1CO1"	"?"	"InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2"	"IWYRWIUNAVNFPE-UHFFFAOYSA-N"	FALSE	FALSE	850	3	4
"765-63-9"	"DTXSID50880152"	"2,2,3,3-Tetrafluorooxetane"	"EPA_DSSTox"	"FC1(F)OCC1(F)F"	"?"	"InChI=1S/C3H2F4O/c4-2(5)1-8-3(2,6)7/h1H2"	"OFWDLJKVZZRPOX-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"76505-58-3"	"DTXSID80227314"	"Diacetam 5"	"EPA_DSSTox"	"CC1(C)CC(CC(C)(C)N1)NC(=O)CCNC1CC(C)(C)NC(C)(C)C1"	"?"	"InChI=1S/C21H42N4O/c1-18(2)11-15(12-19(3,4)24-18)22-10-9-17(26)23-16-13-20(5,6)25-21(7,8)14-16/h15-16,22,24-25H,9-14H2,1-8H3,(H,23,26)"	"GMBXBKNMMIWUED-UHFFFAOYSA-N"	FALSE	TRUE	4180	3	5
"76505-59-4"	NA	NA	"Public_CrossChecked"	"CC1(C)NC(C)(C)CC(=O)C1N"	"?"	"InChI=1S/C9H18N2O/c1-8(2)5-6(12)7(10)9(3,4)11-8/h7,11H,5,10H2,1-4H3"	"ORZVGWLVIBCCKV-UHFFFAOYSA-N"	FALSE	FALSE	920	3	4
"7651-02-7"	"DTXSID9064762"	"Octadecanamide, N-[3-(dimethylamino)propyl]-"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C"	"?"	"InChI=1S/C23H48N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3/h4-22H2,1-3H3,(H,24,26)"	"WWVIUVHFPSALDO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"7652-64-4"	"DTXSID4052508"	"1,1'-(1,3-Phenylenedicarbonyl)bis[2-methylaziridine]"	"EPA_DSSTox"	"CC1CN1C(=O)C1C=C(C=CC=1)C(=O)N1CC1C"	"?"	"InChI=1S/C14H16N2O2/c1-9-7-15(9)13(17)11-4-3-5-12(6-11)14(18)16-8-10(16)2/h3-6,9-10H,7-8H2,1-2H3"	"PQJYXFVJBSRUPG-UHFFFAOYSA-N"	FALSE	FALSE	1230	3	4
"76524-94-2"	"DTXSID50504366"	"N-[3-(Triethoxysilyl)propyl]formamide"	"EPA_DSSTox"	"CCO[Si](CCCNC=O)(OCC)OCC"	"?"	"InChI=1S/C10H23NO4Si/c1-4-13-16(14-5-2,15-6-3)9-7-8-11-10-12/h10H,4-9H2,1-3H3,(H,11,12)"	"ZGJZKIWPDBYTJA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"7654-03-7"	"DTXSID0046220"	"Benmoxin"	"EPA_DSSTox"	"CC(NNC(=O)C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C15H16N2O/c1-12(13-8-4-2-5-9-13)16-17-15(18)14-10-6-3-7-11-14/h2-12,16H,1H3,(H,17,18)"	"BEWNZPMDJIGBED-UHFFFAOYSA-N"	FALSE	FALSE	675	3	4
"76541-72-5"	"DTXSID6045741"	"Mifobate"	"EPA_DSSTox"	"COP(=O)(OC(C1C=CC(Cl)=CC=1)P(=O)(OC)OC)OC"	"?"	"InChI=1S/C11H17ClO7P2/c1-15-20(13,16-2)11(19-21(14,17-3)18-4)9-5-7-10(12)8-6-9/h5-8,11H,1-4H3"	"VQHUQHAPWMNBLP-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"76547-98-3"	"DTXSID6040537"	"Lisinopril"	"EPA_DSSTox"	"NCCCCC(NC(CCC1C=CC=CC=1)C(O)=O)C(=O)N1CCCC1C(O)=O"	"?"	"InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)"	"RLAWWYSOJDYHDC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"76579-52-7"	"DTXSID8073637"	"Benzeneethanethioamide, 4-methoxy-N,N-dimethyl-"	"EPA_DSSTox"	"COC1C=CC(CC(=S)N(C)C)=CC=1"	"?"	"InChI=1S/C11H15NOS/c1-12(2)11(14)8-9-4-6-10(13-3)7-5-9/h4-7H,8H2,1-3H3"	"OHDHFDYXYQEOQI-UHFFFAOYSA-N"	TRUE	FALSE	22	1	2
"7659-86-1"	"DTXSID4027656"	"2-Ethylhexyl sulfanylacetate"	"EPA_DSSTox"	"CCCCC(COC(=O)CS)CC"	"?"	"InChI=1S/C10H20O2S/c1-3-5-6-9(4-2)7-12-10(11)8-13/h9,13H,3-8H2,1-2H3"	"OWHSTLLOZWTNTQ-UHFFFAOYSA-N"	FALSE	FALSE	303	2	4
"76597-98-3"	NA	NA	"Public_CrossChecked"	"C[N+](C)(CC(=O)OCCCCCCCCCC)CCSCC[N+](C)(C)CC(=O)OCCCCCCCCCC"	"[Cl-].[Cl-]"	"InChI=1S/C32H66N2O4S/c1-7-9-11-13-15-17-19-21-25-37-31(35)29-33(3,4)23-27-39-28-24-34(5,6)30-32(36)38-26-22-20-18-16-14-12-10-8-2/h7-30H2,1-6H3/q+2"	"KSPKWLGETDUVGQ-UHFFFAOYSA-N"	FALSE	TRUE	2665	3	5
"7665-72-7"	"DTXSID4024692"	"tert-Butyl glycidyl ether"	"EPA_DSSTox"	"CC(C)(C)OCC1CO1"	"?"	"InChI=1S/C7H14O2/c1-7(2,3)9-5-6-4-8-6/h6H,4-5H2,1-3H3"	"SFJRUJUEMVAZLM-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"76714-88-0"	"DTXSID2040363"	"Diniconazole"	"EPA_DSSTox"	"CC(C)(C)C(O)C(=CC1C=CC(Cl)=CC=1Cl)N1C=NC=N1"	"?"	"InChI=1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3"	"FBOUIAKEJMZPQG-UHFFFAOYSA-N"	FALSE	FALSE	474	2	4
"76738-28-8"	"DTXSID20227555"	"2-Oxazoline-4-methanol, 2-(dichloromethyl)-alpha-(p-nitrophenyl)-, D-threo-"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC=C(C=C1)C(O)C1COC(=N1)C(Cl)Cl"	"?"	"InChI=1S/C11H10Cl2N2O4/c12-10(13)11-14-8(5-19-11)9(16)6-1-3-7(4-2-6)15(17)18/h1-4,8-10,16H,5H2"	"IAZXBBCUBWEOCW-UHFFFAOYSA-N"	FALSE	TRUE	6000	4	5
"76738-62-0"	"DTXSID2024242"	"Paclobutrazol"	"EPA_DSSTox"	"CC(C)(C)C(O)C(CC1=CC=C(Cl)C=C1)N1C=NC=N1"	"?"	"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"	FALSE	FALSE	1300	3	4
"76751-94-5"	NA	NA	"Public_CrossChecked"	"O=c1[nH]c2ccc(cc2o1)C(=O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C14H8ClNO3/c15-10-4-1-8(2-5-10)13(17)9-3-6-11-12(7-9)19-14(18)16-11/h1-7H,(H,16,18)"	"LHVZXQQHKLYSLX-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"768-52-5"	"DTXSID7025479"	"N-Isopropylaniline"	"EPA_DSSTox"	"CC(C)NC1C=CC=CC=1"	"?"	"InChI=1S/C9H13N/c1-8(2)10-9-6-4-3-5-7-9/h3-8,10H,1-2H3"	"FRCFWPVMFJMNDP-UHFFFAOYSA-N"	FALSE	FALSE	560	3	4
"768-94-5"	"DTXSID8022117"	"Amantadine"	"EPA_DSSTox"	"NC12CC3CC(C1)CC(C2)C3"	"?"	"InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2"	"DKNWSYNQZKUICI-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"7681-93-8"	"DTXSID6021163"	"Natamycin"	"EPA_DSSTox"	"CC1CC=CC=CC=CC=CC(CC2OC(O)(CC(O)C2C(O)=O)CC(O)CC2OC2C=CC(=O)O1)OC1OC(C)C(O)C(N)C1O |c:9,t:3,5,7,33|"	"?"	"InChI=1S/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)/b4-3+,7-5+,8-6+,11-9-,13-12+"	"NCXMLFZGDNKEPB-AFQVWPBISA-N"	FALSE	TRUE	2730	3	5
"7682-32-8"	"DTXSID20227636"	"Benzimidazole, 4,5,6-tribromo-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1NC2C=C(Br)C(Br)=C(Br)C=2N=1"	"?"	"InChI=1S/C8H2Br3F3N2/c9-2-1-3-6(5(11)4(2)10)16-7(15-3)8(12,13)14/h1H,(H,15,16)"	"UULQGHQIXNPCOU-UHFFFAOYSA-N"	TRUE	FALSE	7.181	1	2
"7682-38-4"	"DTXSID80227637"	"2,4,5-Trichloroimidazole"	"EPA_DSSTox"	"ClC1N=C(Cl)NC=1Cl"	"?"	"InChI=1S/C3HCl3N2/c4-1-2(5)8-3(6)7-1/h(H,7,8)"	"KCUCKJJLMMZKBV-UHFFFAOYSA-N"	TRUE	FALSE	11	1	2
"76824-35-6"	"DTXSID5023039"	"Famotidine"	"EPA_DSSTox"	"NC(N)=NC1=NC(CSCC/C(/N)=N\S(N)(=O)=O)=CS1"	"?"	"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"	FALSE	TRUE	4049	3	5
"76840-12-5"	NA	NA	"Public_CrossChecked"	"NC(Cl)C1N=C(Cl)C(Cl)=C(Cl)C=1Cl"	"?"	"InChI=1S/C6H3Cl5N2/c7-1-2(8)4(5(10)12)13-6(11)3(1)9/h5H,12H2"	"MZTGXJCZRHTRJZ-UHFFFAOYSA-N"	FALSE	FALSE	1188	3	4
"76840-13-6"	"DTXSID20227656"	"Pyridine, 2-methyl-, aminohexachloro deriv."	"EPA_DSSTox"	"NC(Cl)(Cl)C1N=C(Cl)C(Cl)=C(Cl)C=1Cl"	"?"	"InChI=1S/C6H2Cl6N2/c7-1-2(8)4(6(11,12)13)14-5(10)3(1)9/h13H2"	"JVHMQDJTVTWJAG-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"76858-38-3"	NA	NA	"Public_CrossChecked"	"CC(C)(C)SSN(C)C(=O)ON=C1SC(C)(C)C(=O)N1C"	"?"	"InChI=1S/C12H21N3O3S3/c1-11(2,3)20-21-15(7)10(17)18-13-9-14(6)8(16)12(4,5)19-9/h1-7H3"	"ZYVIHHHZOATYJX-UHFFFAOYSA-N"	FALSE	FALSE	299	2	3
"76874-96-9"	"DTXSID00227679"	"Benzoic acid, 5-hydroxy-2-((3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl ester"	"EPA_DSSTox"	"OC1C=C(C(=CC=1)NC1=CC(=CC=C1)C(F)(F)F)C(=O)OCCOCCO"	"?"	"InChI=1S/C18H18F3NO5/c19-18(20,21)12-2-1-3-13(10-12)22-16-5-4-14(24)11-15(16)17(25)27-9-8-26-7-6-23/h1-5,10-11,22-24H,6-9H2"	"SQGBFZSOEZUQRV-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"76874-97-0"	"DTXSID10227680"	"Benzoic acid, 5-hydroxy-2-((4-hydroxy-3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl ester"	"EPA_DSSTox"	"OCCOCCOC(=O)C1=CC(O)=CC=C1NC1=CC(=C(O)C=C1)C(F)(F)F"	"?"	"InChI=1S/C18H18F3NO6/c19-18(20,21)14-9-11(1-4-16(14)25)22-15-3-2-12(24)10-13(15)17(26)28-8-7-27-6-5-23/h1-4,9-10,22-25H,5-8H2"	"BBCWGYSUBPNWDU-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"7689-03-4"	"DTXSID0030956"	"Camptothecin"	"EPA_DSSTox"	"CCC1(O)C2C=C3C4N=C5C=CC=CC5=CC=4CN3C(=O)C=2COC1=O"	"?"	"InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3"	"VSJKWCGYPAHWDS-UHFFFAOYSA-N"	FALSE	FALSE	153	2	3
"769-78-8"	"DTXSID50227700"	"Vinyl benzoate"	"EPA_DSSTox"	"C=COC(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C9H8O2/c1-2-11-9(10)8-6-4-3-5-7-8/h2-7H,1H2"	"KOZCZZVUFDCZGG-UHFFFAOYSA-N"	FALSE	TRUE	3250	3	5
"7696-12-0"	"DTXSID6032649"	"Tetramethrin"	"EPA_DSSTox"	"CC(C)=CC1C(C(=O)OCN2C(=O)C3CCCCC=3C2=O)C1(C)C"	"?"	"InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3"	"CXBMCYHAMVGWJQ-UHFFFAOYSA-N"	FALSE	TRUE	4600	3	5
"76963-41-2"	"DTXSID5023376"	"Nizatidine"	"EPA_DSSTox"	"CNC(=C[N+]([O-])=O)NCCSCC1=CSC(CN(C)C)=N1"	"?"	"InChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3"	"SGXXNSQHWDMGGP-UHFFFAOYSA-N"	FALSE	FALSE	1653	3	4
"7698-97-7"	NA	NA	"Public_CrossChecked"	"CC1C(CC=C(C1CC)C1C=CC=CC=1)C(O)=O"	"?"	"InChI=1S/C16H20O2/c1-3-13-11(2)14(16(17)18)9-10-15(13)12-7-5-4-6-8-12/h4-8,10-11,13-14H,3,9H2,1-2H3,(H,17,18)"	"CLMFEXDZPBGYQQ-UHFFFAOYSA-N"	FALSE	TRUE	2350	3	5
"76990-85-7"	"DTXSID70227787"	"Milacemide hydrochloride"	"EPA_DSSTox"	"CCCCCNCC(N)=O"	"Cl"	"InChI=1S/C7H16N2O/c1-2-3-4-5-9-6-7(8)10/h9H,2-6H2,1H3,(H2,8,10)"	"GJNNXIYZWIZFRH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"77-04-3"	"DTXSID4045262"	"Pyrithyldione"	"EPA_DSSTox"	"CCC1(CC)C(=O)NC=CC1=O"	"?"	"InChI=1S/C9H13NO2/c1-3-9(4-2)7(11)5-6-10-8(9)12/h5-6H,3-4H2,1-2H3,(H,10,12)"	"NZASCBIBXNPDMH-UHFFFAOYSA-N"	FALSE	FALSE	780	3	4
"77-07-6"	"DTXSID3023213"	"Levorphanol"	"EPA_DSSTox"	"CN1CCC23CCCCC2C1CC1C=CC(O)=CC3=1"	"?"	"InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3"	"JAQUASYNZVUNQP-UHFFFAOYSA-N"	FALSE	FALSE	150	2	3
"77-15-6"	"DTXSID7023017"	"Ethoheptazine"	"EPA_DSSTox"	"CCOC(=O)C1(CCCN(C)CC1)C1C=CC=CC=1"	"?"	"InChI=1S/C16H23NO2/c1-3-19-15(18)16(14-8-5-4-6-9-14)10-7-12-17(2)13-11-16/h4-6,8-9H,3,7,10-13H2,1-2H3"	"WGJHHMKQBWSQIY-UHFFFAOYSA-N"	FALSE	FALSE	355	2	4
"77-21-4"	"DTXSID1023102"	"Glutethimide"	"EPA_DSSTox"	"CCC1(CCC(=O)NC1=O)C1C=CC=CC=1"	"?"	"InChI=1S/C13H15NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h3-7H,2,8-9H2,1H3,(H,14,15,16)"	"JMBQKKAJIKAWKF-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"77-23-6"	"DTXSID9022734"	"Carbetapentane"	"EPA_DSSTox"	"CCN(CCOCCOC(=O)C1(CCCC1)C1C=CC=CC=1)CC"	"?"	"InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3"	"CFJMRBQWBDQYMK-UHFFFAOYSA-N"	FALSE	FALSE	150	2	3
"77-36-1"	"DTXSID4022812"	"Chlorthalidone"	"EPA_DSSTox"	"NS(=O)(=O)C1C=C(C=CC=1Cl)C1(O)NC(=O)C2=CC=CC=C12"	"?"	"InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)"	"JIVPVXMEBJLZRO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"77-54-3"	"DTXSID4047204"	"Cedryl acetate"	"EPA_DSSTox"	"CC1(C)C2CCC(C)C32CC1C(C)(CC3)OC(C)=O"	"?"	"InChI=1S/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3"	"HQKQRXZEXPXXIG-UHFFFAOYSA-N"	FALSE	TRUE	44750	4	5
"77-73-6"	"DTXSID5025023"	"Dicyclopentadiene"	"EPA_DSSTox"	"C1C=CC2C3CC(C=C3)C21"	"?"	"InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2"	"HECLRDQVFMWTQS-UHFFFAOYSA-N"	FALSE	FALSE	365.5	2	4
"77-74-7"	"DTXSID0021755"	"3-Methyl-3-pentanol"	"EPA_DSSTox"	"CC(O)(CC)CC"	"?"	"InChI=1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3"	"FRDAATYAJDYRNW-UHFFFAOYSA-N"	FALSE	FALSE	710	3	4
"77-77-0"	"DTXSID6031253"	"Divinyl sulfone"	"EPA_DSSTox"	"C=CS(=O)(=O)C=C"	"?"	"InChI=1S/C4H6O2S/c1-3-7(5,6)4-2/h3-4H,1-2H2"	"AFOSIXZFDONLBT-UHFFFAOYSA-N"	TRUE	FALSE	32	1	2
"77-79-2"	"DTXSID6021294"	"3-Sulfolene"	"EPA_DSSTox"	"O=S1(=O)CC=CC1"	"?"	"InChI=1S/C4H6O2S/c5-7(6)3-1-2-4-7/h1-2H,3-4H2"	"MBDNRNMVTZADMQ-UHFFFAOYSA-N"	FALSE	TRUE	2547	3	5
"77-83-8"	"DTXSID8020591"	"Ethyl methylphenylglycidate"	"EPA_DSSTox"	"CC1(OC1C(=O)OCC)C1C=CC=CC=1"	"?"	"InChI=1S/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3"	"LQKRYVGRPXFFAV-UHFFFAOYSA-N"	FALSE	TRUE	5470	4	5
"77-86-1"	"DTXSID2023723"	"Tromethamine"	"EPA_DSSTox"	"NC(CO)(CO)CO"	"?"	"InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2"	"LENZDBCJOHFCAS-UHFFFAOYSA-N"	FALSE	TRUE	5900	4	5
"77-89-4"	"DTXSID5044576"	"Acetyltriethyl citrate"	"EPA_DSSTox"	"CC(=O)OC(CC(=O)OCC)(CC(=O)OCC)C(=O)OCC"	"?"	"InChI=1S/C14H22O8/c1-5-19-11(16)8-14(22-10(4)15,13(18)21-7-3)9-12(17)20-6-2/h5-9H2,1-4H3"	"WEAPVABOECTMGR-UHFFFAOYSA-N"	FALSE	TRUE	7000	4	5
"77-90-7"	"DTXSID2026446"	"Acetyl tributyl citrate"	"EPA_DSSTox"	"CC(=O)OC(CC(=O)OCCCC)(CC(=O)OCCCC)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"	FALSE	TRUE	31400	4	5
"77-92-9"	"DTXSID3020332"	"Citric acid"	"EPA_DSSTox"	"OC(=O)C(O)(CC(O)=O)CC(O)=O"	"?"	"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)"	"KRKNYBCHXYNGOX-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"770-35-4"	"DTXSID9027312"	"1-Phenoxy-2-propanol"	"EPA_DSSTox"	"CC(O)COC1C=CC=CC=1"	"?"	"InChI=1S/C9H12O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3"	"IBLKWZIFZMJLFL-UHFFFAOYSA-N"	FALSE	TRUE	2830	3	5
"77001-44-6"	"DTXSID90227820"	"Phosphonic acid, (1-hydroxyethylidene)di-, copper diammonium complex"	"EPA_DSSTox"	"CC(O)(P(O)(O)=O)P(O)(O)=O"	"[Cu+2].[NH4+].[NH4+]"	"InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)"	"DBVJJBKOTRCVKF-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"77017-20-0"	NA	NA	"Public_CrossChecked"	"CC(=O)OCC(=O)C1(O)C(O)CC2C3CCC4=CC(=O)C=CC4(C)C3=CCC12C"	"?"	"InChI=1S/C23H28O6/c1-13(24)29-12-20(27)23(28)19(26)11-18-16-5-4-14-10-15(25)6-8-21(14,2)17(16)7-9-22(18,23)3/h6-8,10,16,18-19,26,28H,4-5,9,11-12H2,1-3H3"	"LUROGHOZLOFASD-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"77053-97-5"	"DTXSID00227851"	"1,3-Cyclohexanedione, 2-(3-(1,3-benzodioxol-5-yl)-1-oxopropyl)-5-phenyl-"	"EPA_DSSTox"	"O=C(CCC1C=C2OCOC2=CC=1)C1C(=O)CC(CC1=O)C1C=CC=CC=1"	"?"	"InChI=1S/C22H20O5/c23-17(8-6-14-7-9-20-21(10-14)27-13-26-20)22-18(24)11-16(12-19(22)25)15-4-2-1-3-5-15/h1-5,7,9-10,16,22H,6,8,11-13H2"	"OLUMRJVVZCNCBF-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"77054-11-6"	"DTXSID60227852"	"1,3-Cyclohexanedione, 2-(3-(1,3-benzodioxol-5-yl)-1-oxopropyl)-5-(4-methylphenyl)-"	"EPA_DSSTox"	"CC1C=CC(=CC=1)C1CC(=O)C(C(=O)CCC2C=C3OCOC3=CC=2)C(=O)C1"	"?"	"InChI=1S/C23H22O5/c1-14-2-6-16(7-3-14)17-11-19(25)23(20(26)12-17)18(24)8-4-15-5-9-21-22(10-15)28-13-27-21/h2-3,5-7,9-10,17,23H,4,8,11-13H2,1H3"	"ZWYGPLBQMNOEOQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"77054-16-1"	NA	NA	"Public_CrossChecked"	"O=C(CC1C=CC=CC=1)C1C(=O)CC(CC1=O)C1C=CC=CC=1"	"?"	"InChI=1S/C20H18O3/c21-17(11-14-7-3-1-4-8-14)20-18(22)12-16(13-19(20)23)15-9-5-2-6-10-15/h1-10,16,20H,11-13H2"	"KYDUFZZSUUSMLF-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"77129-82-9"	NA	NA	"Public_CrossChecked"	"S=C(C=CC1=CC=C2OCOC2=C1)N1CCOCC1"	"?"	"InChI=1S/C14H15NO3S/c19-14(15-5-7-16-8-6-15)4-2-11-1-3-12-13(9-11)18-10-17-12/h1-4,9H,5-8,10H2"	"XJKKZDFITWRRPE-UHFFFAOYSA-N"	FALSE	FALSE	285	2	3
"77145-61-0"	"DTXSID5045201"	"SR 57227A hydrochloride"	"EPA_DSSTox"	"NC1CCN(CC1)C1C=CC=C(Cl)N=1"	"Cl"	"InChI=1S/C10H14ClN3/c11-9-2-1-3-10(13-9)14-6-4-8(12)5-7-14/h1-3,8H,4-7,12H2"	"WPVVMKYQOMJPIN-UHFFFAOYSA-N"	FALSE	FALSE	190	2	3
"77162-70-0"	NA	NA	"Public_CrossChecked"	"[O-][N+](=O)C1C=CC=C2N=C3C=CC=CC3=C(NCCN(CCO)CCO)C=12"	"[Cl-].[Cl-]"	"InChI=1S/C19H22N4O4/c24-12-10-22(11-13-25)9-8-20-19-14-4-1-2-5-15(14)21-16-6-3-7-17(18(16)19)23(26)27/h1-7,24-25H,8-13H2,(H,20,21)"	"SEGKYGNRPDCERU-UHFFFAOYSA-N"	FALSE	FALSE	176	2	3
"77173-43-4"	NA	NA	"Public_CrossChecked"	"COP(=O)(SC)C1C=CC=CC=1"	"?"	"InChI=1S/C8H11O2PS/c1-10-11(9,12-2)8-6-4-3-5-7-8/h3-7H,1-2H3"	"MCOMPSJPKYWWFY-UHFFFAOYSA-N"	FALSE	FALSE	55.3	2	3
"77174-66-4"	"DTXSID60227933"	"Croconazole Hydrochloride"	"EPA_DSSTox"	"C=C(C1=CC=CC=C1OCC1=CC(Cl)=CC=C1)N1C=NC=C1"	"Cl"	"InChI=1S/C18H15ClN2O/c1-14(21-10-9-20-13-21)17-7-2-3-8-18(17)22-12-15-5-4-6-16(19)11-15/h2-11,13H,1,12H2"	"WHPAGCJNPTUGGD-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"77181-69-2"	"DTXSID6057827"	"Bravavir"	"EPA_DSSTox"	"OCC1OC(C(O)C1O)N1C=C(C=CBr)C(=O)NC1=O"	"?"	"InChI=1S/C11H13BrN2O6/c12-2-1-5-3-14(11(19)13-9(5)18)10-8(17)7(16)6(4-15)20-10/h1-3,6-8,10,15-17H,4H2,(H,13,18,19)"	"GCQYYIHYQMVWLT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"77182-82-2"	"DTXSID1024120"	"Glufosinate-ammonium"	"EPA_DSSTox"	"CP(O)(=O)CCC(N)C(O)=O"	"[NH4+]"	"InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)"	"IAJOBQBIJHVGMQ-UHFFFAOYSA-N"	FALSE	FALSE	1510	3	4
"77191-36-7"	"DTXSID2020923"	"Nefiracetam"	"EPA_DSSTox"	"CC1C=CC=C(C)C=1NC(=O)CN1CCCC1=O"	"?"	"InChI=1S/C14H18N2O2/c1-10-5-3-6-11(2)14(10)15-12(17)9-16-8-4-7-13(16)18/h3,5-6H,4,7-9H2,1-2H3,(H,15,17)"	"NGHTXZCKLWZPGK-UHFFFAOYSA-N"	FALSE	FALSE	1182	3	4
"77236-50-1"	NA	NA	"Public_CrossChecked"	"CCC1(CCNC1=O)C1C=CC=CC=1"	"?"	"InChI=1S/C12H15NO/c1-2-12(8-9-13-11(12)14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14)"	"HUGUNZZWSZIHIE-UHFFFAOYSA-N"	FALSE	FALSE	990	3	4
"77287-90-2"	NA	NA	"Public_CrossChecked"	"CC1CC(=C)CC23CCN(CC4CCC4)C(CC4=CC=C(O)C=C24)C31"	"CS(=O)(=O)O"	"InChI=1S/C23H31NO/c1-15-10-16(2)22-21-11-18-6-7-19(25)12-20(18)23(22,13-15)8-9-24(21)14-17-4-3-5-17/h6-7,12,16-17,21-22,25H,1,3-5,8-11,13-14H2,2H3"	"AZJPPZHRNFQRRE-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"77402-03-0"	NA	NA	"Public_CrossChecked"	"COC(NC(=O)C=C)C(=O)OC"	"?"	"InChI=1S/C7H11NO4/c1-4-5(9)8-6(11-2)7(10)12-3/h4,6H,1H2,2-3H3,(H,8,9)"	"JMSTYCQEPRPFBF-UHFFFAOYSA-N"	FALSE	TRUE	2091	3	5
"77439-76-0"	"DTXSID6020276"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"EPA_DSSTox"	"OC1OC(=O)C(Cl)=C1C(Cl)Cl"	"?"	"InChI=1S/C5H3Cl3O3/c6-2-1(3(7)8)4(9)11-5(2)10/h3-4,9H"	"WNTRMRXAGJOLCU-UHFFFAOYSA-N"	FALSE	FALSE	128	2	3
"7745-89-3"	"DTXSID5032313"	"3-Chloro-4-methylaniline hydrochloride"	"EPA_DSSTox"	"CC1C=CC(N)=CC=1Cl"	"Cl"	"InChI=1S/C7H8ClN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3"	"RQKFYFNZSHWXAW-UHFFFAOYSA-N"	FALSE	FALSE	655	3	4
"7745-91-7"	"DTXSID00228161"	"Benzenamine, 3-bromo-4-methyl- (9CI)"	"EPA_DSSTox"	"CC1=CC=C(N)C=C1Br"	"?"	"InChI=1S/C7H8BrN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3"	"GRXMMIBZRMKADT-UHFFFAOYSA-N"	FALSE	FALSE	180	2	3
"7747-35-5"	"DTXSID3029289"	"5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane"	"EPA_DSSTox"	"CCC12COCN1COC2"	"?"	"InChI=1S/C7H13NO2/c1-2-7-3-9-5-8(7)6-10-4-7/h2-6H2,1H3"	"ZRCMGIXRGFOXNT-UHFFFAOYSA-N"	FALSE	TRUE	3674	3	5
"77501-90-7"	"DTXSID0041983"	"Fluoroglycofen-ethyl"	"EPA_DSSTox"	"CCOC(=O)COC(=O)C1C=C(C=CC=1[N+]([O-])=O)OC1C=CC(=CC=1Cl)C(F)(F)F"	"?"	"InChI=1S/C18H13ClF3NO7/c1-2-28-16(24)9-29-17(25)12-8-11(4-5-14(12)23(26)27)30-15-6-3-10(7-13(15)19)18(20,21)22/h3-8H,2,9H2,1H3"	"IPPAUTOBDWNELX-UHFFFAOYSA-N"	FALSE	FALSE	1480	3	4
"7756-94-7"	"DTXSID8052514"	"Isobutene trimer"	"EPA_DSSTox"	"CC(C)(C)CC(C)(C)C=C(C)C"	"?"	"InChI=1S/C12H24/c1-10(2)8-12(6,7)9-11(3,4)5/h8H,9H2,1-7H3"	"DRHABPMHZRIRAH-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"7756-96-9"	"DTXSID5024683"	"Butyl anthranilate"	"EPA_DSSTox"	"CCCCOC(=O)C1=CC=CC=C1N"	"?"	"InChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7H,2-3,8,12H2,1H3"	"HUIYGGQINIVDNW-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"7757-81-5"	"DTXSID8047181"	"Sodium sorbate"	"EPA_DSSTox"	"CC=CC=CC(O)=O"	"[Na+]"	"InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)"	"WSWCOQWTEOXDQX-UHFFFAOYSA-N"	FALSE	TRUE	7160	4	5
"77605-72-2"	"DTXSID30228270"	"N-(3-Chloro-2-hydroxymethylphenyl)anthranilic acid"	"EPA_DSSTox"	"OC(=O)C1=CC=CC=C1NC1C=CC=C(Cl)C=1CO"	"?"	"InChI=1S/C14H12ClNO3/c15-11-5-3-7-13(10(11)8-17)16-12-6-2-1-4-9(12)14(18)19/h1-7,16-17H,8H2,(H,18,19)"	"BMLZYLYIEWXTCM-UHFFFAOYSA-N"	FALSE	TRUE	2400	3	5
"77605-73-3"	"DTXSID90228271"	"N-(3-Chloro-4-hydroxy-2-methylphenyl)anthranilic acid"	"EPA_DSSTox"	"CC1C(Cl)=C(O)C=CC=1NC1=CC=CC=C1C(O)=O"	"?"	"InChI=1S/C14H12ClNO3/c1-8-10(6-7-12(17)13(8)15)16-11-5-3-2-4-9(11)14(18)19/h2-7,16-17H,1H3,(H,18,19)"	"VRNDVGVAHVCCCU-UHFFFAOYSA-N"	FALSE	FALSE	1849	3	4
"77639-70-4"	NA	NA	"Public_CrossChecked"	"CN1C=CC=C1C(=O)C(C#N)C(=O)NC1C=CC=CC=1"	"C(CO)N(CCO)CCO"	"InChI=1S/C15H13N3O2/c1-18-9-5-8-13(18)14(19)12(10-16)15(20)17-11-6-3-2-4-7-11/h2-9,12H,1H3,(H,17,20)"	"KBQUAIAGRLAZGP-UHFFFAOYSA-N"	FALSE	FALSE	1071	3	4
"7764-50-3"	"DTXSID00863556"	"1,6-Dihydrocarvone"	"EPA_DSSTox"	"CC(=C)C1CC(=O)C(C)CC1"	"?"	"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3"	"AZOCECCLWFDTAP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"77658-97-0"	NA	NA	"Public_CrossChecked"	"O=c1[n](CC2CO2)[n](CC2CO2)c(=O)[n]1CC1CO1"	"?"	"InChI=1S/C11H15N3O5/c15-10-12(1-7-4-17-7)11(16)14(3-9-6-19-9)13(10)2-8-5-18-8/h7-9H,1-6H2"	"ZTXDHEQQZVFGPK-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"77668-43-0"	"DTXSID40228307"	"1,2,4-Triazine-3,5-diamine, 6-(2,5-dichlorophenyl)-"	"EPA_DSSTox"	"NC1=NC(N)=C(N=N1)C1=CC(Cl)=CC=C1Cl"	"?"	"InChI=1S/C9H7Cl2N5/c10-4-1-2-6(11)5(3-4)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)"	"QPXGLZOHUMHCAR-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"777-11-7"	"DTXSID9046865"	"Haloprogin"	"EPA_DSSTox"	"ClC1C=C(OCC#CI)C(Cl)=CC=1Cl"	"?"	"InChI=1S/C9H4Cl3IO/c10-6-4-8(12)9(5-7(6)11)14-3-1-2-13/h4-5H,3H2"	"CTETYYAZBPJBHE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"77732-09-3"	"DTXSID2032631"	"Oxadixyl"	"EPA_DSSTox"	"COCC(=O)N(C1C(C)=CC=CC=1C)N1CCOC1=O"	"?"	"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"	FALSE	FALSE	1860	3	4
"77745-66-5"	"DTXSID20228365"	"Triisotridecyl phosphite"	"EPA_DSSTox"	"CC(C)CCCCCCCCCCOP(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C"	"?"	"InChI=1S/C39H81O3P/c1-37(2)31-25-19-13-7-10-16-22-28-34-40-43(41-35-29-23-17-11-8-14-20-26-32-38(3)4)42-36-30-24-18-12-9-15-21-27-33-39(5)6/h37-39H,7-36H2,1-6H3"	"IVINYWARLXOTLP-UHFFFAOYSA-N"	FALSE	TRUE	12000	4	5
"7776-66-1"	NA	NA	"Public_CrossChecked"	"CCP(O)(=S)OCC"	"?"	"InChI=1S/C4H11O2PS/c1-3-6-7(5,8)4-2/h3-4H2,1-2H3,(H,5,8)"	"AIJQQTBLBLBZDI-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"7779-27-3"	"DTXSID1032511"	"1,3,5-Triethylhexahydro-s-triazine"	"EPA_DSSTox"	"CCN1CN(CN(C1)CC)CC"	"?"	"InChI=1S/C9H21N3/c1-4-10-7-11(5-2)9-12(6-3)8-10/h4-9H2,1-3H3"	"XYRTVIAPRQLSOW-UHFFFAOYSA-N"	FALSE	FALSE	316	2	4
"7779-41-1"	"DTXSID3064803"	"Decane, 1,1-dimethoxy-"	"EPA_DSSTox"	"CCCCCCCCCC(OC)OC"	"?"	"InChI=1S/C12H26O2/c1-4-5-6-7-8-9-10-11-12(13-2)14-3/h12H,4-11H2,1-3H3"	"NCRNCSZWOOYBQF-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"7779-65-9"	"DTXSID4025454"	"3-Methylbutyl cinnamate"	"EPA_DSSTox"	"CC(C)CCOC(=O)C=CC1C=CC=CC=1"	"?"	"InChI=1S/C14H18O2/c1-12(2)10-11-16-14(15)9-8-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3"	"JFHCDEYLWGVZMX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"7780-06-5"	"DTXSID3064809"	"2-Propenoic acid, 3-phenyl-, 1-methylethyl ester"	"EPA_DSSTox"	"CC(C)OC(=O)C=CC1C=CC=CC=1"	"?"	"InChI=1S/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3"	"RGACABDFLVLVCT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"7785-33-3"	"DTXSID9047413"	"Geranyl tiglate"	"EPA_DSSTox"	"CC(C)=CCCC(C)=CCOC(=O)C(C)=CC"	"?"	"InChI=1S/C15H24O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,10H,7,9,11H2,1-5H3"	"OGHBUHJLMHQMHS-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"77855-81-3"	NA	NA	"Public_CrossChecked"	"CC(C)C1OC2(CCC1C)CC1CC(CC=C(C)CC(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2 |c:22,t:16,24|"	"?"	"InChI=1S/C33H48O7/c1-19(2)29-22(5)12-13-32(40-29)17-26-16-25(39-32)11-10-21(4)14-20(3)8-7-9-24-18-37-30-28(34)23(6)15-27(31(35)38-26)33(24,30)36/h7-10,15,19-20,22,25-30,34,36H,11-14,16-18H2,1-6H3/b8-7-,21-10-,24-9-"	"BWCRYQGQPDBOAU-HPFHOFPMSA-N"	FALSE	TRUE	2467	3	5
"7786-29-0"	"DTXSID2052528"	"2-Methyloctanal"	"EPA_DSSTox"	"CCCCCCC(C)C=O"	"?"	"InChI=1S/C9H18O/c1-3-4-5-6-7-9(2)8-10/h8-9H,3-7H2,1-2H3"	"ZKPFRIDJMMOODR-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"7786-34-7"	"DTXSID2032683"	"Mevinphos"	"EPA_DSSTox"	"CC(=CC(O)OC)OP(O)(OC)OC"	"?"	"InChI=1S/C7H17O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5,7-9,14H,1-4H3"	"ZORLPBUXCRYBTR-UHFFFAOYSA-N"	TRUE	FALSE	3	1	1
"7787-93-1"	"DTXSID8064856"	"Silane, dichloro(3-chloropropyl)methyl-"	"EPA_DSSTox"	"C[Si](Cl)(Cl)CCCCl"	"?"	"InChI=1S/C4H9Cl3Si/c1-8(6,7)4-2-3-5/h2-4H2,1H3"	"UCJHMXXKIKBHQP-UHFFFAOYSA-N"	NA	FALSE	NA	NA	NA
"77883-43-3"	"DTXSID5045598"	"Doxazosin mesylate"	"EPA_DSSTox"	"COC1=CC2N=C(N=C(N)C=2C=C1OC)N1CCN(CC1)C(=O)C1COC2C=CC=CC=2O1"	"CS(O)(=O)=O"	"InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)"	"RUZYUOTYCVRMRZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"7789-83-5"	NA	NA	"Public_CrossChecked"	"S=C1N=CC=NC(=S)SSSS1 |c:2,4|"	"?"	"InChI=1S/C4H2N2S6/c7-3-5-1-2-6-4(8)10-12-11-9-3/h1-2H/b5-1-,6-2-"	"WBLWIBQAAPOTJK-IOBHVTPZSA-N"	FALSE	TRUE	8530	4	5
"7789-89-1"	"DTXSID6073992"	"1,1,1-Trichloropropane"	"EPA_DSSTox"	"CCC(Cl)(Cl)Cl"	"?"	"InChI=1S/C3H5Cl3/c1-2-3(4,5)6/h2H2,1H3"	"AVGQTJUPLKNPQP-UHFFFAOYSA-N"	FALSE	TRUE	7460	4	5
"7789-92-6"	"DTXSID40228509"	"1,1,3-Triethoxypropane"	"EPA_DSSTox"	"CCOCCC(OCC)OCC"	"?"	"InChI=1S/C9H20O3/c1-4-10-8-7-9(11-5-2)12-6-3/h9H,4-8H2,1-3H3"	"LGICWIVABSMSDK-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"7789-99-3"	"DTXSID6052532"	"2-Methylpentyl acetate"	"EPA_DSSTox"	"CCCC(C)CC(=O)OC"	"?"	"InChI=1S/C8H16O2/c1-4-5-7(2)6-8(9)10-3/h7H,4-6H2,1-3H3"	"VPROXMOZLPCRJN-UHFFFAOYSA-N"	FALSE	TRUE	7400	4	5
"7790-07-0"	"DTXSID3073133"	"Bis[2-(2-ethylbutoxy)ethyl] adipate"	"EPA_DSSTox"	"CCC(COCCOC(=O)CCCCC(=O)OCCOCC(CC)CC)CC"	"?"	"InChI=1S/C22H42O6/c1-5-19(6-2)17-25-13-15-27-21(23)11-9-10-12-22(24)28-16-14-26-18-20(7-3)8-4/h19-20H,5-18H2,1-4H3"	"VHCPQIOKWWQIRV-UHFFFAOYSA-N"	FALSE	TRUE	3250	3	5
"7795-74-6"	"DTXSID10228612"	"Phosphorothioic acid, S-tert-butyl O,O-diethyl ester"	"EPA_DSSTox"	"CC(C)(C)SP(=O)(OCC)OCC"	"?"	"InChI=1S/C8H19O3PS/c1-6-10-12(9,11-7-2)13-8(3,4)5/h6-7H2,1-5H3"	"FSKOAWGTGPPJCS-UHFFFAOYSA-N"	FALSE	FALSE	127	2	3
"78-07-9"	"DTXSID7041962"	"Ethyltriethoxysilane"	"EPA_DSSTox"	"CC[Si](OCC)(OCC)OCC"	"?"	"InChI=1S/C8H20O3Si/c1-5-9-12(8-4,10-6-2)11-7-3/h5-8H2,1-4H3"	"DENFJSAFJTVPJR-UHFFFAOYSA-N"	FALSE	TRUE	14000	4	5
"78-10-4"	"DTXSID6026450"	"Tetraethyl orthosilicate"	"EPA_DSSTox"	"CCO[Si](OCC)(OCC)OCC"	"?"	"InChI=1S/C8H20O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3"	"BOTDANWDWHJENH-UHFFFAOYSA-N"	FALSE	TRUE	6270	4	5
"78-11-5"	"DTXSID2023430"	"Pentaerythritol tetranitrate"	"EPA_DSSTox"	"[O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O"	"?"	"InChI=1S/C5H8N4O12/c10-6(11)18-1-5(2-19-7(12)13,3-20-8(14)15)4-21-9(16)17/h1-4H2"	"TZRXHJWUDPFEEY-UHFFFAOYSA-N"	FALSE	FALSE	1660	3	4
"78-16-0"	NA	NA	"Public_CrossChecked"	"CCC(COC(=O)CCCCCC)(COC(=O)CCCCCC)COC(=O)CCCCCC"	"?"	"InChI=1S/C27H50O6/c1-5-9-12-15-18-24(28)31-21-27(8-4,22-32-25(29)19-16-13-10-6-2)23-33-26(30)20-17-14-11-7-3/h5-23H2,1-4H3"	"UQJDVLPHTXQTRP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"78-30-8"	"DTXSID6032192"	"Tri-o-cresyl phosphate"	"EPA_DSSTox"	"CC1C=CC=CC=1OP(=O)(OC1C=CC=CC=1C)OC1C=CC=CC=1C"	"?"	"InChI=1S/C21H21O4P/c1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h4-15H,1-3H3"	"YSMRWXYRXBRSND-UHFFFAOYSA-N"	FALSE	FALSE	1160	3	4
"78-31-9"	"DTXSID70274039"	"Diphenyl 4-tolyl phosphate"	"EPA_DSSTox"	"CC1C=CC(=CC=1)OP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1"	"?"	"InChI=1S/C19H17O4P/c1-16-12-14-19(15-13-16)23-24(20,21-17-8-4-2-5-9-17)22-18-10-6-3-7-11-18/h2-15H,1H3"	"OJUZRFGUKHQNJX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"78-32-0"	"DTXSID5052676"	"Tris(4-methylphenyl) phosphate"	"EPA_DSSTox"	"CC1C=CC(=CC=1)OP(=O)(OC1C=CC(C)=CC=1)OC1C=CC(C)=CC=1"	"?"	"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"	FALSE	TRUE	12800	4	5
"78-35-3"	"DTXSID6047490"	"Linalyl isobutyrate"	"EPA_DSSTox"	"CC(C)=CCCC(C)(C=C)OC(=O)C(C)C"	"?"	"InChI=1S/C14H24O2/c1-7-14(6,10-8-9-11(2)3)16-13(15)12(4)5/h7,9,12H,1,8,10H2,2-6H3"	"JZIARAQCPRDGAC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"78-38-6"	"DTXSID7025051"	"Diethyl ethylphosphonate"	"EPA_DSSTox"	"CCP(=O)(OCC)OCC"	"?"	"InChI=1S/C6H15O3P/c1-4-8-10(7,6-3)9-5-2/h4-6H2,1-3H3"	"AATNZNJRDOVKDD-UHFFFAOYSA-N"	FALSE	TRUE	2330	3	5
"78-40-0"	"DTXSID8026228"	"Triethyl phosphate"	"EPA_DSSTox"	"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"	FALSE	FALSE	1165	3	4
"78-42-2"	"DTXSID0021414"	"Tris(2-ethylhexyl) phosphate"	"EPA_DSSTox"	"CCCCC(COP(=O)(OCC(CCCC)CC)OCC(CCCC)CC)CC"	"?"	"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"	FALSE	TRUE	37000	4	5
"78-44-4"	"DTXSID8024733"	"Carisoprodol"	"EPA_DSSTox"	"CCCC(C)(COC(N)=O)COC(=O)NC(C)C"	"?"	"InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)"	"OFZCIYFFPZCNJE-UHFFFAOYSA-N"	FALSE	FALSE	1320	3	4
"78-48-8"	"DTXSID1024174"	"Tribufos"	"EPA_DSSTox"	"CCCCSP(=O)(SCCCC)SCCCC"	"?"	"InChI=1S/C12H27OPS3/c1-4-7-10-15-14(13,16-11-8-5-2)17-12-9-6-3/h4-12H2,1-3H3"	"ZOKXUAHZSKEQSS-UHFFFAOYSA-N"	FALSE	FALSE	150	2	3
"78-52-4"	"DTXSID6075356"	"Phosphorodithioic acid, O,O-diethyl S-[[(1-methylethyl)thio]methyl] ester"	"EPA_DSSTox"	"CC(C)SCSP(=S)(OCC)OCC"	"?"	"InChI=1S/C8H19O2PS3/c1-5-9-11(12,10-6-2)14-7-13-8(3)4/h8H,5-7H2,1-4H3"	"QVSDWRRZCKGXCO-UHFFFAOYSA-N"	TRUE	FALSE	1.1	1	1
"78-53-5"	"DTXSID6058184"	"Amiton"	"EPA_DSSTox"	"CCN(CCSP(=O)(OCC)OCC)CC"	"?"	"InChI=1S/C10H24NO3PS/c1-5-11(6-2)9-10-16-15(12,13-7-3)14-8-4/h5-10H2,1-4H3"	"PJISLFCKHOHLLP-UHFFFAOYSA-N"	TRUE	FALSE	3.3	1	1
"78-57-9"	"DTXSID9042120"	"Menazon"	"EPA_DSSTox"	"COP(=S)(OC)SCC1N=C(N)N=C(N)N=1"	"?"	"InChI=1S/C6H12N5O2PS2/c1-12-14(15,13-2)16-3-4-9-5(7)11-6(8)10-4/h3H2,1-2H3,(H4,7,8,9,10,11)"	"SUYHYHLFUHHVJQ-UHFFFAOYSA-N"	FALSE	FALSE	890	3	4
"78-59-1"	"DTXSID8020759"	"Isophorone"	"EPA_DSSTox"	"CC1CC(C)(C)CC(=O)C=1"	"?"	"InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3"	"HJOVHMDZYOCNQW-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"78-62-6"	"DTXSID6052538"	"Diethoxy(dimethyl)silane"	"EPA_DSSTox"	"C[Si](C)(OCC)OCC"	"?"	"InChI=1S/C6H16O2Si/c1-5-7-9(3,4)8-6-2/h5-6H2,1-4H3"	"YYLGKUPAFFKGRQ-UHFFFAOYSA-N"	FALSE	TRUE	9280	4	5
"78-63-7"	"DTXSID9025110"	"2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane"	"EPA_DSSTox"	"CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C"	"?"	"InChI=1S/C16H34O4/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6/h11-12H2,1-10H3"	"DMWVYCCGCQPJEA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"78-66-0"	"DTXSID1041475"	"3,6-Dimethyl-4-octyne-3,6-diol"	"EPA_DSSTox"	"CC(O)(CC)C#CC(C)(O)CC"	"?"	"InChI=1S/C10H18O2/c1-5-9(3,11)7-8-10(4,12)6-2/h11-12H,5-6H2,1-4H3"	"NUYADIDKTLPDGG-UHFFFAOYSA-N"	FALSE	FALSE	1400	3	4
"78-67-1"	"DTXSID1026457"	"2,2'-Azobis(2-methylpropanenitrile)"	"EPA_DSSTox"	"CC(C)(C#N)N=NC(C)(C)C#N"	"?"	"InChI=1S/C8H12N4/c1-7(2,5-9)11-12-8(3,4)6-10/h1-4H3"	"OZAIFHULBGXAKX-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"78-69-3"	"DTXSID7029110"	"3,7-Dimethyl-3-octanol"	"EPA_DSSTox"	"CCC(C)(O)CCCC(C)C"	"?"	"InChI=1S/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3"	"DLHQZZUEERVIGQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"78-70-6"	"DTXSID7025502"	"Linalool"	"EPA_DSSTox"	"CC(C)=CCCC(C)(O)C=C"	"?"	"InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3"	"CDOSHBSSFJOMGT-UHFFFAOYSA-N"	FALSE	TRUE	2790	3	5
"78-75-1"	"DTXSID60870403"	"Propane, 1,2-dibromo-"	"EPA_DSSTox"	"CC(Br)CBr"	"?"	"InChI=1S/C3H6Br2/c1-3(5)2-4/h3H,2H2,1H3"	"XFNJYAKDBJUJAJ-UHFFFAOYSA-N"	FALSE	FALSE	741	3	4
"78-81-9"	"DTXSID9025459"	"Isobutylamine"	"EPA_DSSTox"	"CC(C)CN"	"?"	"InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3"	"KDSNLYIMUZNERS-UHFFFAOYSA-N"	FALSE	FALSE	224	2	3
"78-83-1"	"DTXSID0021759"	"2-Methyl-1-propanol"	"EPA_DSSTox"	"CC(C)CO"	"?"	"InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3"	"ZXEKIIBDNHEJCQ-UHFFFAOYSA-N"	FALSE	TRUE	2460	3	5
"78-85-3"	"DTXSID0052540"	"Methacrylaldehyde"	"EPA_DSSTox"	"CC(=C)C=O"	"?"	"InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3"	"STNJBCKSHOAVAJ-UHFFFAOYSA-N"	FALSE	FALSE	140	2	3
"78-86-4"	"DTXSID9023966"	"2-Chlorobutane"	"EPA_DSSTox"	"CCC(C)Cl"	"?"	"InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3"	"BSPCSKHALVHRSR-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"78-87-5"	"DTXSID0020448"	"1,2-Dichloropropane"	"EPA_DSSTox"	"CC(Cl)CCl"	"?"	"InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3"	"KNKRKFALVUDBJE-UHFFFAOYSA-N"	FALSE	FALSE	1947	3	4
"78-88-6"	"DTXSID6025012"	"2,3-Dichloro-1-propene"	"EPA_DSSTox"	"C=C(Cl)CCl"	"?"	"InChI=1S/C3H4Cl2/c1-3(5)2-4/h1-2H2"	"FALCMQXTWHPRIH-UHFFFAOYSA-N"	FALSE	FALSE	320	2	4
"78-89-7"	"DTXSID5052541"	"2-Chloropropan-1-ol"	"EPA_DSSTox"	"CC(Cl)CO"	"?"	"InChI=1S/C3H7ClO/c1-3(4)2-5/h3,5H,2H2,1H3"	"VZIQXGLTRZLBEX-UHFFFAOYSA-N"	FALSE	FALSE	218	2	3
"78-90-0"	"DTXSID4021761"	"1,2-Diaminopropane"	"EPA_DSSTox"	"CC(N)CN"	"?"	"InChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3"	"AOHJOMMDDJHIJH-UHFFFAOYSA-N"	FALSE	TRUE	2230	3	5
"78-92-2"	"DTXSID9021762"	"2-Butanol"	"EPA_DSSTox"	"CCC(C)O"	"?"	"InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3"	"BTANRVKWQNVYAZ-UHFFFAOYSA-N"	FALSE	TRUE	2054	3	5
"78-95-5"	"DTXSID0021547"	"1-Chloropropan-2-one"	"EPA_DSSTox"	"CC(=O)CCl"	"?"	"InChI=1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3"	"BULLHNJGPPOUOX-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"78-97-7"	"DTXSID6025432"	"Lactonitrile"	"EPA_DSSTox"	"CC(O)C#N"	"?"	"InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3"	"WOFDVDFSGLBFAC-UHFFFAOYSA-N"	TRUE	FALSE	21	1	2
"78-98-8"	"DTXSID0021628"	"Methyl glyoxal"	"EPA_DSSTox"	"CC(=O)C=O"	"?"	"InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3"	"AIJULSRZWUXGPQ-UHFFFAOYSA-N"	FALSE	FALSE	1165	3	4
"78-99-9"	"DTXSID9058818"	"1,1-Dichloropropane"	"EPA_DSSTox"	"CCC(Cl)Cl"	"?"	"InChI=1S/C3H6Cl2/c1-2-3(4)5/h3H,2H2,1H3"	"WIHMGGWNMISDNJ-UHFFFAOYSA-N"	FALSE	TRUE	6500	4	5
"78104-11-7"	"DTXSID80228740"	"Piperidine, 4-(p-aminophenoxy)-1-methyl-4-phenyl-"	"EPA_DSSTox"	"CN1CCC(CC1)(OC1C=CC(N)=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C18H22N2O/c1-20-13-11-18(12-14-20,15-5-3-2-4-6-15)21-17-9-7-16(19)8-10-17/h2-10H,11-14,19H2,1H3"	"GNVZOTBLCYEIRW-UHFFFAOYSA-N"	FALSE	FALSE	410	2	4
"78113-36-7"	NA	NA	"Public_CrossChecked"	"CC(=O)NC1C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(=O)CCCCCCCCCCCCCCCCC)C(O)=O)C(N)=O)C(O)C(CO)OC1O"	"?"	"InChI=1S/C43H78N6O13/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-34(52)45-26-21-20-22-32(42(58)59)48-35(53)25-24-31(39(44)55)49-40(56)28(2)46-41(57)29(3)61-38-36(47-30(4)51)43(60)62-33(27-50)37(38)54/h28-29,31-33,36-38,43,50,54,60H,5-27H2,1-4H3,(H2,44,55)(H,45,52)(H,46,57)(H,47,51)(H,48,53)(H,49,56)(H,58,59)"	"FKHUGQZRBPETJR-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"78164-00-8"	NA	NA	"Public_CrossChecked"	"CC1(CC2(O)C=CC3C(=O)C4=C(C=CC(C5CC(O)C(OC6CCC(OC7C=CC(=O)C(C)O7)C(C)O6)C(C)O5)=C4O)C(=O)C=3C2(O)C(=O)C1)OC1CCC(OC2C=CC(=O)C(C)O2)C(C)O1"	"?"	"InChI=1S/C49H58O18/c1-22-30(50)9-13-37(60-22)64-33-11-15-39(62-24(33)3)66-46-26(5)59-35(19-32(46)52)27-7-8-28-41(43(27)54)44(55)29-17-18-48(57)21-47(6,20-36(53)49(48,58)42(29)45(28)56)67-40-16-12-34(25(4)63-40)65-38-14-10-31(51)23(2)61-38/h7-10,13-14,17-18,22-26,32-35,37-40,46,52,54,57-58H,11-12,15-16,19-21H2,1-6H3"	"YHSTYYHRDFATAQ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"78168-92-0"	NA	NA	"Public_CrossChecked"	"CC(O)C(C1C=CC2OCOC=2C=1)N1CCOCC1"	"?"	"InChI=1S/C14H19NO4/c1-10(16)14(15-4-6-17-7-5-15)11-2-3-12-13(8-11)19-9-18-12/h2-3,8,10,14,16H,4-7,9H2,1H3"	"KFSXLIJSXOJBCB-UHFFFAOYSA-N"	FALSE	TRUE	2470	3	5
"78168-93-1"	"DTXSID2073641"	"1,3,5-Triazine-2,4(1H,3H)-dione, 1-amino-3-(2,2-dimethylpropyl)-6-(ethylthio)-"	"EPA_DSSTox"	"CCSC1=NC(=O)N(CC(C)(C)C)C(=O)N1N"	"?"	"InChI=1S/C10H18N4O2S/c1-5-17-8-12-7(15)13(6-10(2,3)4)9(16)14(8)11/h5-6,11H2,1-4H3"	"KOKBUARVIJVMMM-UHFFFAOYSA-N"	FALSE	TRUE	3500	3	5
"78193-95-0"	NA	NA	"Public_CrossChecked"	"CC1=CC=CC(OC(C)C)=C1N(COCC)C(=O)CCl"	"?"	"InChI=1S/C15H22ClNO3/c1-5-19-10-17(14(18)9-16)15-12(4)7-6-8-13(15)20-11(2)3/h6-8,11H,5,9-10H2,1-4H3"	"UAHGQVFLBQXPMP-UHFFFAOYSA-N"	FALSE	TRUE	2700	3	5
"78193-97-2"	"DTXSID2073643"	"Acetamide, 2-chloro-N-(ethoxymethyl)-N-(2-methyl-6-propoxyphenyl)-"	"EPA_DSSTox"	"CC1C=CC=C(OCCC)C=1N(COCC)C(=O)CCl"	"?"	"InChI=1S/C15H22ClNO3/c1-4-9-20-13-8-6-7-12(3)15(13)17(11-19-5-2)14(18)10-16/h6-8H,4-5,9-11H2,1-3H3"	"PCPOAVKGDVIQOO-UHFFFAOYSA-N"	FALSE	TRUE	2600	3	5
"78194-09-9"	NA	NA	"Public_CrossChecked"	"COC1C(=C(C)C=CC=1C)N(COC(C)C)C(=O)CCl"	"?"	"InChI=1S/C15H22ClNO3/c1-10(2)20-9-17(13(18)8-16)14-11(3)6-7-12(4)15(14)19-5/h6-7,10H,8-9H2,1-5H3"	"RLNUYAQNUQSCDN-UHFFFAOYSA-N"	FALSE	FALSE	1730	3	4
"78194-24-8"	"DTXSID7073644"	"Acetamide, 2-chloro-N-methyl-N-[2-methyl-6-(3-methylbutoxy)phenyl]-"	"EPA_DSSTox"	"CC1C=CC=C(OCCC(C)C)C=1N(C)C(=O)CCl"	"?"	"InChI=1S/C15H22ClNO2/c1-11(2)8-9-19-13-7-5-6-12(3)15(13)17(4)14(18)10-16/h5-7,11H,8-10H2,1-4H3"	"UBAGJCNJDBGZPW-UHFFFAOYSA-N"	FALSE	TRUE	3300	3	5
"78194-42-0"	"DTXSID2073645"	"Acetamide, 2-chloro-N-methyl-N-[2-methyl-6-(1-methylethoxy)phenyl]-"	"EPA_DSSTox"	"CC1C=CC=C(OC(C)C)C=1N(C)C(=O)CCl"	"?"	"InChI=1S/C13H18ClNO2/c1-9(2)17-11-7-5-6-10(3)13(11)15(4)12(16)8-14/h5-7,9H,8H2,1-4H3"	"FGXFFUIRUWWSPI-UHFFFAOYSA-N"	FALSE	FALSE	950	3	4
"78218-49-2"	"DTXSID50228873"	"Pyrazole-5-acetic acid, 1,3,4-triphenyl-, sodium salt"	"EPA_DSSTox"	"OC(=O)CC1=C(C(=NN1C1C=CC=CC=1)C1C=CC=CC=1)C1C=CC=CC=1"	"[Na+]"	"InChI=1S/C23H18N2O2/c26-21(27)16-20-22(17-10-4-1-5-11-17)23(18-12-6-2-7-13-18)24-25(20)19-14-8-3-9-15-19/h1-15H,16H2,(H,26,27)"	"LZRDDINFIHUVCX-UHFFFAOYSA-N"	TRUE	FALSE	13	1	2
"78246-49-8"	"DTXSID50228914"	"Paroxetine hydrochloride [USP]"	"EPA_DSSTox"	"FC1C=CC(=CC=1)C1CCNCC1COC1C=C2OCOC2=CC=1"	"Cl"	"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"	FALSE	FALSE	415	2	4
"78327-32-9"	"DTXSID1041477"	"3-[5-tert-Butyl-3-isoxazolyl]-4-hydroxy-1-methyl-2-imidazolidinone"	"EPA_DSSTox"	"CN1CC(O)N(C1=O)C1C=C(ON=1)C(C)(C)C"	"?"	"InChI=1S/C11H17N3O3/c1-11(2,3)7-5-8(12-17-7)14-9(15)6-13(4)10(14)16/h5,9,15H,6H2,1-4H3"	"SCFGLMLXZAQXGC-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"78415-72-2"	"DTXSID5023324"	"Milrinone"	"EPA_DSSTox"	"CC1NC(=O)C(=CC=1C1C=CN=CC=1)C#N"	"?"	"InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)"	"PZRHRDRVRGEVNW-UHFFFAOYSA-N"	FALSE	FALSE	91	2	3
"78467-28-4"	"DTXSID80229095"	"2(1H)-Quinolinone, 3,4-dihydro-1-methyl-7-(3-(4-(phenylmethyl)-1-piperidinyl)propoxy)-, ethanedioate (1:1)"	"EPA_DSSTox"	"CN1C(=O)CCC2=CC=C(C=C12)OCCCN1CCC(CC2C=CC=CC=2)CC1"	"OC(=O)C(O)=O"	"InChI=1S/C25H32N2O2/c1-26-24-19-23(10-8-22(24)9-11-25(26)28)29-17-5-14-27-15-12-21(13-16-27)18-20-6-3-2-4-7-20/h2-4,6-8,10,19,21H,5,9,11-18H2,1H3"	"SBZLIAXICBCOFO-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"78467-29-5"	"DTXSID40229096"	"2(1H)-Quinolinone, 3,4-dihydro-5-(3-(4-(phenylmethyl)-1-piperidinyl)propoxy)-1-(2-propynyl)-,monohydrochloride"	"EPA_DSSTox"	"C#CCN1C(=O)CCC2C(=CC=CC1=2)OCCCN1CCC(CC2C=CC=CC=2)CC1"	"Cl"	"InChI=1S/C27H32N2O2/c1-2-16-29-25-10-6-11-26(24(25)12-13-27(29)30)31-20-7-17-28-18-14-23(15-19-28)21-22-8-4-3-5-9-22/h1,3-6,8-11,23H,7,12-21H2"	"LGQOLWGFCMYZOK-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"78467-30-8"	"DTXSID00229097"	"2(1H)-Quinolinone, 3,4-dihydro-1-methyl-5-(3-(4-(phenylmethyl)-1-piperidinyl)propoxy)-, monohydrochloride"	"EPA_DSSTox"	"CN1C(=O)CCC2C(=CC=CC1=2)OCCCN1CCC(CC2C=CC=CC=2)CC1"	"Cl"	"InChI=1S/C25H32N2O2/c1-26-23-9-5-10-24(22(23)11-12-25(26)28)29-18-6-15-27-16-13-21(14-17-27)19-20-7-3-2-4-8-20/h2-5,7-10,21H,6,11-19H2,1H3"	"WPDWZOVFEUABEB-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"78467-47-7"	NA	NA	"Public_CrossChecked"	"C=CCN1C(=O)CCC2=C1C=CC=C2OCC(O)CN1CCC(CC1)CC1=CC=CC=C1"	"C(=O)(C(=O)O)O"	"InChI=1S/C27H34N2O3/c1-2-15-29-25-9-6-10-26(24(25)11-12-27(29)31)32-20-23(30)19-28-16-13-22(14-17-28)18-21-7-4-3-5-8-21/h2-10,22-23,30H,1,11-20H2"	"YMSRNFBNWSZZOF-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"78467-49-9"	NA	NA	"Public_CrossChecked"	"CCN1C(=O)CCC2=C1C=CC=C2OCC(O)CN1CCC(CC1)CC1=CC=CC=C1"	"C(=O)(C(=O)O)O"	"InChI=1S/C26H34N2O3/c1-2-28-24-9-6-10-25(23(24)11-12-26(28)30)31-19-22(29)18-27-15-13-21(14-16-27)17-20-7-4-3-5-8-20/h3-10,21-22,29H,2,11-19H2,1H3"	"HTDQENYSJWXFDB-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"78467-50-2"	NA	NA	"Public_CrossChecked"	"OC(CN1CCC(CC1)CC1=CC=CC=C1)COC1C=CC(Br)=C2NC(=O)CCC2=1"	"?"	"InChI=1S/C24H29BrN2O3/c25-21-7-8-22(20-6-9-23(29)26-24(20)21)30-16-19(28)15-27-12-10-18(11-13-27)14-17-4-2-1-3-5-17/h1-5,7-8,18-19,28H,6,9-16H2,(H,26,29)"	"OOFRFJYTNGYDOT-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"78483-88-2"	"DTXSID00229113"	"2(1H)-Quinolinone, 4-phenyl-7-(3-(4-phenyl-1-piperidinyl)propoxy)-, monohydrochloride"	"EPA_DSSTox"	"O=C1C=C(C2=CC=C(C=C2N1)OCCCN1CCC(CC1)C1C=CC=CC=1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C29H30N2O2/c32-29-21-27(24-10-5-2-6-11-24)26-13-12-25(20-28(26)30-29)33-19-7-16-31-17-14-23(15-18-31)22-8-3-1-4-9-22/h1-6,8-13,20-21,23H,7,14-19H2,(H,30,32)"	"BBVUSLOUKXANDX-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"78483-90-6"	NA	NA	"Public_CrossChecked"	"OC(CN1CCC(CC1)CC1=CC=CC=C1)COC1C=CC=C2C=1CCC(=O)N2CC1=CC=CC=C1"	"C(=O)(C(=O)O)O"	"InChI=1S/C31H36N2O3/c34-27(22-32-18-16-25(17-19-32)20-24-8-3-1-4-9-24)23-36-30-13-7-12-29-28(30)14-15-31(35)33(29)21-26-10-5-2-6-11-26/h1-13,25,27,34H,14-23H2"	"OSBIUPYCASTLMN-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"78483-93-9"	NA	NA	"Public_CrossChecked"	"CN1C(=O)CCC2=C1C=CC=C2OCC(O)CN1CCC(CC1)CC1=CC=CC=C1"	"C(=O)(C(=O)O)O"	"InChI=1S/C25H32N2O3/c1-26-23-8-5-9-24(22(23)10-11-25(26)29)30-18-21(28)17-27-14-12-20(13-15-27)16-19-6-3-2-4-7-19/h2-9,20-21,28H,10-18H2,1H3"	"MHNCZMBGYKUZRC-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"78484-08-9"	"DTXSID60229114"	"2(1H)-Quinolinone, 3,4-dihydro-5-(3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)-"	"EPA_DSSTox"	"OC1(CCN(CCCOC2=CC=CC3NC(=O)CCC=32)CC1)C1C=CC=CC=1"	"?"	"InChI=1S/C23H28N2O3/c26-22-11-10-19-20(24-22)8-4-9-21(19)28-17-5-14-25-15-12-23(27,13-16-25)18-6-2-1-3-7-18/h1-4,6-9,27H,5,10-17H2,(H,24,26)"	"BFEQDZNCCKMXOP-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"78484-11-4"	"DTXSID20229115"	"2(1H)-Quinolinone, 3,4-dihydro-7-(3-(4-acetyl-4-phenyl-1-piperidinyl)propoxy)-"	"EPA_DSSTox"	"CC(=O)C1(CCN(CCCOC2C=C3NC(=O)CCC3=CC=2)CC1)C1C=CC=CC=1"	"?"	"InChI=1S/C25H30N2O3/c1-19(28)25(21-6-3-2-4-7-21)12-15-27(16-13-25)14-5-17-30-22-10-8-20-9-11-24(29)26-23(20)18-22/h2-4,6-8,10,18H,5,9,11-17H2,1H3,(H,26,29)"	"KZNFNFJBVRWYRD-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"78491-02-8"	"DTXSID0029559"	"Diazolidinyl urea"	"EPA_DSSTox"	"OCNC(=O)N(CO)C1C(=O)N(CO)C(=O)N1CO"	"?"	"InChI=1S/C8H14N4O7/c13-1-9-7(18)10(2-14)5-6(17)12(4-16)8(19)11(5)3-15/h5,13-16H,1-4H2,(H,9,18)"	"SOROIESOUPGGFO-UHFFFAOYSA-N"	FALSE	TRUE	2600	3	5
"78499-27-1"	NA	NA	"Public_CrossChecked"	"CC1C=CC2OC3=CC=C(C=C3C(=O)CC=2C=1)C(C)C(O)=O"	"?"	"InChI=1S/C18H16O4/c1-10-3-5-16-13(7-10)9-15(19)14-8-12(11(2)18(20)21)4-6-17(14)22-16/h3-8,11H,9H2,1-2H3,(H,20,21)"	"REHLODZXMGOGQP-UHFFFAOYSA-N"	FALSE	FALSE	147	2	3
"78521-39-8"	"DTXSID2074374"	"Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]-"	"EPA_DSSTox"	"CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(O)=O"	"?"	"InChI=1S/C13H19NO4S/c1-11-6-8-12(9-7-11)19(17,18)14-10-4-2-3-5-13(15)16/h6-9,14H,2-5,10H2,1H3,(H,15,16)"	"GLKZGJGPYOFPKV-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"78541-98-7"	NA	NA	"Public_CrossChecked"	"CC1NC2CC3CCN(C)CC3C(=O)C=2C=1CC"	"Cl"	"InChI=1S/C15H22N2O/c1-4-11-9(2)16-13-7-10-5-6-17(3)8-12(10)15(18)14(11)13/h10,12,16H,4-8H2,1-3H3"	"PVZMYDPRVUCJKV-UHFFFAOYSA-N"	FALSE	FALSE	220	2	3
"78587-05-0"	"DTXSID7024299"	"Hexythiazox"	"EPA_DSSTox"	"CC1C(SC(=O)N1C(=O)NC1CCCCC1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)"	"XGWIJUOSCAQSSV-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"78628-80-5"	"DTXSID90229223"	"Terbinafine hydrochloride"	"EPA_DSSTox"	"CN(CC1=CC=CC2=CC=CC=C12)CC=CC#CC(C)(C)C"	"Cl"	"InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3"	"DOMXUEMWDBAQBQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"78712-43-3"	"DTXSID9045506"	"Ozagrel hydrochloride"	"EPA_DSSTox"	"OC(=O)C=CC1C=CC(CN2C=NC=C2)=CC=1"	"Cl"	"InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)"	"SHZKQBHERIJWAO-UHFFFAOYSA-N"	FALSE	TRUE	4164	3	5
"78718-52-2"	NA	NA	"Public_CrossChecked"	"NC(=N)NCC1CCC(CC1)C(=O)OC1=CC=CC=C1C(=O)OCC1C=CC=CC=1"	"?"	"InChI=1S/C23H27N3O4/c24-23(25)26-14-16-10-12-18(13-11-16)21(27)30-20-9-5-4-8-19(20)22(28)29-15-17-6-2-1-3-7-17/h1-9,16,18H,10-15H2,(H4,24,25,26)"	"IAXUQWSLRKIRFR-UHFFFAOYSA-N"	FALSE	TRUE	8010	4	5
"78816-48-5"	"DTXSID40229319"	"Carbamic acid, (5-(3-(diethylamino)-1-oxopropyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride"	"EPA_DSSTox"	"CCOC(=O)NC1C=C2C(CCC3=CC=CC=C3N2C(=O)CCN(CC)CC)=CC=1"	"Cl"	"InChI=1S/C24H31N3O3/c1-4-26(5-2)16-15-23(28)27-21-10-8-7-9-18(21)11-12-19-13-14-20(17-22(19)27)25-24(29)30-6-3/h7-10,13-14,17H,4-6,11-12,15-16H2,1-3H3,(H,25,29)"	"AFIYKNJKFJVVGS-UHFFFAOYSA-N"	FALSE	FALSE	138	2	3
"789-37-7"	NA	NA	"Public_CrossChecked"	"CN(C)C1C2=CC=CC=C2NC(=O)C2C=CC=CC=21"	"?"	"InChI=1S/C16H16N2O/c1-18(2)15-11-7-3-4-8-12(11)16(19)17-14-10-6-5-9-13(14)15/h3-10,15H,1-2H3,(H,17,19)"	"ODOFCZZIGMCBLQ-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"78919-13-8"	"DTXSID2041046"	"Iloprost"	"EPA_DSSTox"	"CC(CC#CC)C(O)C=CC1C2CC(CC2CC1O)=CCCCC(O)=O"	"?"	"InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)"	"HIFJCPQKFCZDDL-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"78945-53-6"	"DTXSID60229396"	"3,5-Pyrazolidinedione, 4-(2-cyclopropylethyl)-1,2-diphenyl-"	"EPA_DSSTox"	"O=C1C(CCC2CC2)C(=O)N(C2C=CC=CC=2)N1C1C=CC=CC=1"	"?"	"InChI=1S/C20H20N2O2/c23-19-18(14-13-15-11-12-15)20(24)22(17-9-5-2-6-10-17)21(19)16-7-3-1-4-8-16/h1-10,15,18H,11-14H2"	"XNOZBQYFHYVMGI-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"78967-07-4"	"DTXSID1046716"	"Mofezolac"	"EPA_DSSTox"	"COC1C=CC(=CC=1)C1=C(CC(O)=O)ON=C1C1C=CC(=CC=1)OC"	"?"	"InChI=1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22)"	"DJEIHHYCDCTAAH-UHFFFAOYSA-N"	FALSE	FALSE	887	3	4
"79-00-5"	"DTXSID5021380"	"1,1,2-Trichloroethane"	"EPA_DSSTox"	"ClCC(Cl)Cl"	"?"	"InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2"	"UBOXGVDOUJQMTN-UHFFFAOYSA-N"	FALSE	FALSE	836	3	4
"79-04-9"	"DTXSID4026472"	"Chloroacetyl chloride"	"EPA_DSSTox"	"O=C(Cl)CCl"	"?"	"InChI=1S/C2H2Cl2O/c3-1-2(4)5/h1H2"	"VGCXGMAHQTYDJK-UHFFFAOYSA-N"	FALSE	FALSE	208	2	3
"79-06-1"	"DTXSID5020027"	"Acrylamide"	"EPA_DSSTox"	"C=CC(N)=O"	"?"	"InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)"	"HRPVXLWXLXDGHG-UHFFFAOYSA-N"	FALSE	FALSE	147	2	3
"79-07-2"	"DTXSID9041570"	"Chloroacetamide"	"EPA_DSSTox"	"NC(=O)CCl"	"?"	"InChI=1S/C2H4ClNO/c3-1-2(4)5/h1H2,(H2,4,5)"	"VXIVSQZSERGHQP-UHFFFAOYSA-N"	FALSE	FALSE	70	2	3
"79-08-3"	"DTXSID7021495"	"Bromoacetic acid"	"EPA_DSSTox"	"OC(=O)CBr"	"?"	"InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)"	"KDPAWGWELVVRCH-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"79-09-4"	"DTXSID8025961"	"Propionic acid"	"EPA_DSSTox"	"CCC(O)=O"	"?"	"InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)"	"XBDQKXXYIPTUBI-UHFFFAOYSA-N"	FALSE	TRUE	2600	3	5
"79-11-8"	"DTXSID4020901"	"Chloroacetic acid"	"EPA_DSSTox"	"OC(=O)CCl"	"?"	"InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)"	"FOCAUTSVDIKZOP-UHFFFAOYSA-N"	FALSE	FALSE	76	2	3
"79-14-1"	"DTXSID0025363"	"Glycolic acid"	"EPA_DSSTox"	"OCC(O)=O"	"?"	"InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)"	"AEMRFAOFKBGASW-UHFFFAOYSA-N"	FALSE	FALSE	1938	3	4
"79-19-6"	"DTXSID9021346"	"Thiosemicarbazide"	"EPA_DSSTox"	"NNC(N)=S"	"?"	"InChI=1S/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5)"	"BRWIZMBXBAOCCF-UHFFFAOYSA-N"	TRUE	FALSE	9.16	1	2
"79-21-0"	"DTXSID1025853"	"Peracetic acid"	"EPA_DSSTox"	"CC(=O)OO"	"?"	"InChI=1S/C2H4O3/c1-2(3)5-4/h4H,1H3"	"KFSLWBXXFJQRDL-UHFFFAOYSA-N"	TRUE	FALSE	39.85	1	2
"79-22-1"	"DTXSID0024185"	"Methyl chlorocarbonate"	"EPA_DSSTox"	"COC(=O)Cl"	"?"	"InChI=1S/C2H3ClO2/c1-5-2(3)4/h1H3"	"XMJHPCRAQCTCFT-UHFFFAOYSA-N"	FALSE	FALSE	60	2	3
"79-27-6"	"DTXSID1026083"	"1,1,2,2-Tetrabromoethane"	"EPA_DSSTox"	"BrC(Br)C(Br)Br"	"?"	"InChI=1S/C2H2Br4/c3-1(4)2(5)6/h1-2H"	"QXSZNDIIPUOQMB-UHFFFAOYSA-N"	FALSE	FALSE	1200	3	4
"79-31-2"	"DTXSID4021636"	"2-Methylpropanoic acid"	"EPA_DSSTox"	"CC(C)C(O)=O"	"?"	"InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)"	"KQNPFQTWMSNSAP-UHFFFAOYSA-N"	FALSE	FALSE	266	2	3
"79-34-5"	"DTXSID7021318"	"1,1,2,2-Tetrachloroethane"	"EPA_DSSTox"	"ClC(Cl)C(Cl)Cl"	"?"	"InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H"	"QPFMBZIOSGYJDE-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"79-39-0"	"DTXSID8029600"	"Methacrylamide"	"EPA_DSSTox"	"CC(=C)C(N)=O"	"?"	"InChI=1S/C4H7NO/c1-3(2)4(5)6/h1H2,2H3,(H2,5,6)"	"FQPSGWSUVKBHSU-UHFFFAOYSA-N"	FALSE	FALSE	1653	3	4
"79-41-4"	"DTXSID3025542"	"Methacrylic acid"	"EPA_DSSTox"	"CC(=C)C(O)=O"	"?"	"InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)"	"CERQOIWHTDAKMF-UHFFFAOYSA-N"	FALSE	FALSE	1060	3	4
"79-44-7"	"DTXSID1020512"	"Dimethylcarbamoyl chloride"	"EPA_DSSTox"	"CN(C)C(=O)Cl"	"?"	"InChI=1S/C3H6ClNO/c1-5(2)3(4)6/h1-2H3"	"YIIMEMSDCNDGTB-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"79-46-9"	"DTXSID6020981"	"2-Nitropropane"	"EPA_DSSTox"	"CC(C)[N+]([O-])=O"	"?"	"InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3"	"FGLBSLMDCBOPQK-UHFFFAOYSA-N"	FALSE	FALSE	720	3	4
"79-52-7"	"DTXSID70229488"	"2-Propanone, 1,1,3-trichloro-1,3,3-trifluoro-"	"EPA_DSSTox"	"O=C(C(F)(Cl)Cl)C(F)(F)Cl"	"?"	"InChI=1S/C3Cl3F3O/c4-2(5,7)1(10)3(6,8)9"	"QCVAFEQJWDOJLG-UHFFFAOYSA-N"	FALSE	FALSE	277	2	3
"79-74-3"	"DTXSID5044992"	"2,5-Bis(2-methylbutan-2-yl)benzene-1,4-diol"	"EPA_DSSTox"	"CC(C)(CC)C1C=C(O)C(=CC=1O)C(C)(C)CC"	"?"	"InChI=1S/C16H26O2/c1-7-15(3,4)11-9-14(18)12(10-13(11)17)16(5,6)8-2/h9-10,17-18H,7-8H2,1-6H3"	"CZNRFEXEPBITDS-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"79-81-2"	"DTXSID1021241"	"Retinol palmitate"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C"	"?"	"InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3"	"VYGQUTWHTHXGQB-UHFFFAOYSA-N"	FALSE	TRUE	7910	4	5
"79-92-5"	"DTXSID8026488"	"Camphene"	"EPA_DSSTox"	"CC1(C)C2CC(CC2)C1=C"	"?"	"InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3"	"CRPUJAZIXJMDBK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"79-93-6"	"DTXSID6023444"	"Phenaglycodol"	"EPA_DSSTox"	"CC(C)(O)C(C)(O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C11H15ClO2/c1-10(2,13)11(3,14)8-4-6-9(12)7-5-8/h4-7,13-14H,1-3H3"	"HTYIXCKSEQQCJO-UHFFFAOYSA-N"	FALSE	FALSE	832	3	4
"79-95-8"	"DTXSID3021770"	"2,2',6,6'-Tetrachlorobisphenol A"	"EPA_DSSTox"	"CC(C)(C1=CC(Cl)=C(O)C(Cl)=C1)C1=CC(Cl)=C(O)C(Cl)=C1"	"?"	"InChI=1S/C15H12Cl4O2/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"	"KYPYTERUKNKOLP-UHFFFAOYSA-N"	FALSE	TRUE	7432	4	5
"79006-73-8"	NA	NA	"Public_CrossChecked"	"CN(SN(C)C(=O)OC1C=CC(=CC=1)OC(=O)N(C)SN(C)C(=O)ON=C(C)SC)C(=O)ON=C(C)SC"	"?"	"InChI=1S/C20H28N6O8S4/c1-13(35-7)21-33-19(29)25(5)37-23(3)17(27)31-15-9-11-16(12-10-15)32-18(28)24(4)38-26(6)20(30)34-22-14(2)36-8/h9-12H,1-8H3"	"YONKQBPXTFUEII-UHFFFAOYSA-N"	FALSE	FALSE	453	2	4
"79006-76-1"	NA	NA	"Public_CrossChecked"	"CC(C)(C1C=CC(=CC=1)OC(=O)N(C)SN(C)C(=O)ON=C(C)SC)C1C=CC(=CC=1)OC(=O)N(C)SN(C)C(=O)ON=C(C)SC"	"?"	"InChI=1S/C29H38N6O8S4/c1-19(44-9)30-42-27(38)34(7)46-32(5)25(36)40-23-15-11-21(12-16-23)29(3,4)22-13-17-24(18-14-22)41-26(37)33(6)47-35(8)28(39)43-31-20(2)45-10/h11-18H,1-10H3"	"JJMZASHUNYULKS-UHFFFAOYSA-N"	FALSE	FALSE	508	3	4
"79006-83-0"	NA	NA	"Public_CrossChecked"	"CN(SN(C)C(=O)OC1C=CC(=CC=1)SC1C=CC(=CC=1)OC(=O)N(C)SN(C)C(=O)ON=C(C)SC)C(=O)ON=C(C)SC"	"?"	"InChI=1S/C26H32N6O8S5/c1-17(41-7)27-39-25(35)31(5)44-29(3)23(33)37-19-9-13-21(14-10-19)43-22-15-11-20(12-16-22)38-24(34)30(4)45-32(6)26(36)40-28-18(2)42-8/h9-16H,1-8H3"	"WQFXKKJUTHUNAO-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"79241-46-6"	"DTXSID0034855"	"Fluazifop-P-butyl"	"EPA_DSSTox"	"CCCCOC(=O)C(C)OC1C=CC(=CC=1)OC1C=CC(=CN=1)C(F)(F)F"	"?"	"InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3"	"VAIZTNZGPYBOGF-UHFFFAOYSA-N"	FALSE	TRUE	2712	3	5
"79276-58-7"	"DTXSID30229601"	"2-Pyrrolidinone, 1-(8-quinolinyl)-"	"EPA_DSSTox"	"O=C1CCCN1C1=CC=CC2=CC=CN=C21"	"?"	"InChI=1S/C13H12N2O/c16-12-7-3-9-15(12)11-6-1-4-10-5-2-8-14-13(10)11/h1-2,4-6,8H,3,7,9H2"	"MVGXWXNDLBXHMO-UHFFFAOYSA-N"	FALSE	FALSE	1650	3	4
"79277-27-3"	"DTXSID1024124"	"Thifensulfuron-methyl"	"EPA_DSSTox"	"CC1N=C(NC(=O)NS(=O)(=O)C2C=CSC=2C(=O)OC)N=C(N=1)OC"	"?"	"InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)"	"AHTPATJNIAFOLR-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"79307-93-0"	"DTXSID2045945"	"Azelastine hydrochloride"	"EPA_DSSTox"	"CN1CCCC(CC1)N1N=C(CC2C=CC(Cl)=CC=2)C2C=CC=CC=2C1=O"	"Cl"	"InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3"	"MBUVEWMHONZEQD-UHFFFAOYSA-N"	FALSE	FALSE	580	3	4
"79438-83-8"	NA	NA	"Public_CrossChecked"	"CN(SN(C1CCCCC1)P(=S)(OCC)OCC)C(=O)ON=C(C)SC"	"?"	"InChI=1S/C15H30N3O4PS3/c1-6-20-23(24,21-7-2)18(14-11-9-8-10-12-14)26-17(4)15(19)22-16-13(3)25-5/h14H,6-12H2,1-5H3"	"MCWYQZGKBVKSLG-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"79442-83-4"	NA	NA	"Public_CrossChecked"	"C[n]1c(C)cc(=NC(=O)C2C=CC=CC=2O)[n]1C1C=CC=CC=1"	"?"	"InChI=1S/C18H17N3O2/c1-13-12-17(19-18(23)15-10-6-7-11-16(15)22)21(20(13)2)14-8-4-3-5-9-14/h3-12,22H,1-2H3"	"WDDJFSOFZDPPLM-UHFFFAOYSA-N"	FALSE	FALSE	1267	3	4
"79451-10-8"	NA	NA	"Public_CrossChecked"	"CN(SN(C(C)C)P(=O)(OCC)OCC)C(=O)ON=C(C)SC"	"?"	"InChI=1S/C12H26N3O5PS2/c1-8-18-21(17,19-9-2)15(10(3)4)23-14(6)12(16)20-13-11(5)22-7/h10H,8-9H2,1-7H3"	"KRZWARAFKHUJIY-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"79510-48-8"	"DTXSID1058187"	"Metsulfuron"	"EPA_DSSTox"	"CC1N=C(N/C(/N=1)=N/C(/O)=N/S(=O)(=O)C1=CC=CC=C1C(O)=O)OC"	"?"	"InChI=1S/C13H13N5O6S/c1-7-14-11(17-13(15-7)24-2)16-12(21)18-25(22,23)9-6-4-3-5-8(9)10(19)20/h3-6H,1-2H3,(H,19,20)(H2,14,15,16,17,18,21)"	"UWHURBUBIHUHSU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"79538-32-2"	"DTXSID5032577"	"Tefluthrin"	"EPA_DSSTox"	"CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)OCC1C(F)=C(F)C(C)=C(F)C=1F"	"?"	"InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3"	"ZFHGXWPMULPQSE-UHFFFAOYSA-N"	TRUE	FALSE	22	1	2
"79547-78-7"	"DTXSID9045508"	"Levocabastine hydrochloride"	"EPA_DSSTox"	"CC1CN(CCC1(C(O)=O)C1=CC=CC=C1)C1CCC(CC1)(C#N)C1=CC=C(F)C=C1"	"Cl"	"InChI=1S/C26H29FN2O2/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20/h2-10,19,23H,11-17H2,1H3,(H,30,31)"	"ZCGOMHNNNFPNMX-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"79622-59-6"	"DTXSID7032551"	"Fluazinam"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC(=C(Cl)C(=C1NC1N=CC(=CC=1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F"	"?"	"InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)"	"UZCGKGPEKUCDTF-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"79645-08-2"	NA	NA	"Public_CrossChecked"	"CC(C)(C)NCC(O)C1C=CC(O)=C(CO)N=1"	"Cl"	"InChI=1S/C12H20N2O3/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8/h4-5,11,13,15-17H,6-7H2,1-3H3"	"VQDBNKDJNJQRDG-UHFFFAOYSA-N"	FALSE	TRUE	2800	3	5
"79660-46-1"	"DTXSID90229824"	"3-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-6,7,8-trifluoro-, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)C1=CNC2=C(C=C(F)C(F)=C2F)C1=O"	"?"	"InChI=1S/C12H8F3NO3/c1-2-19-12(18)6-4-16-10-5(11(6)17)3-7(13)8(14)9(10)15/h3-4H,2H2,1H3,(H,16,17)"	"ONQDAESGZUODFI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"79665-24-0"	"DTXSID00888562"	"2-Naphthalenecarboxamide, N,N'-(2,5-dimethyl-1,4-phenylene)bis[4-[2-(5-chloro-2-methylphenyl)diazenyl]-3-hydroxy-"	"EPA_DSSTox"	"CC1C=C(NC(=O)C2=CC3C=CC=CC=3C(N=NC3=CC(Cl)=CC=C3C)=C2O)C(C)=CC=1NC(=O)C1=CC2C=CC=CC=2C(N=NC2=CC(Cl)=CC=C2C)=C1O"	"?"	"InChI=1S/C44H34Cl2N6O4/c1-23-13-15-29(45)21-37(23)49-51-39-31-11-7-5-9-27(31)19-33(41(39)53)43(55)47-35-17-26(4)36(18-25(35)3)48-44(56)34-20-28-10-6-8-12-32(28)40(42(34)54)52-50-38-22-30(46)16-14-24(38)2/h5-22,53-54H,1-4H3,(H,47,55)(H,48,56)"	"RUASBGDJNNJFOJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"79712-52-0"	"DTXSID20229837"	"1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(3-(4-(3-(phenylthio)propyl)-1-piperazinyl)propyl)-, dihydrochloride"	"EPA_DSSTox"	"CN1C(=O)C2=C(N=CN2CCCN2CCN(CC2)CCCSC2C=CC=CC=2)N(C)C1=O"	"Cl.Cl"	"InChI=1S/C23H32N6O2S/c1-25-21-20(22(30)26(2)23(25)31)29(18-24-21)12-6-10-27-13-15-28(16-14-27)11-7-17-32-19-8-4-3-5-9-19/h3-5,8-9,18H,6-7,10-17H2,1-2H3"	"XFZVKWUIDLNCKJ-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"79712-53-1"	NA	NA	"Public_CrossChecked"	"CN1C(=O)C2=C(N=CN2CC(O)CN2CCN(CCCSC3C=CC=CC=3)CC2)N(C)C1=O"	"Cl.Cl"	"InChI=1S/C23H32N6O3S/c1-25-21-20(22(31)26(2)23(25)32)29(17-24-21)16-18(30)15-28-12-10-27(11-13-28)9-6-14-33-19-7-4-3-5-8-19/h3-5,7-8,17-18,30H,6,9-16H2,1-2H3"	"JTOUASWUIMAMAD-UHFFFAOYSA-N"	FALSE	TRUE	2100	3	5
"79714-31-1"	"DTXSID7048796"	"Risarestat"	"EPA_DSSTox"	"CCOC1=CC(=CC=C1OCCCCC)C1SC(=O)NC1=O"	"?"	"InChI=1S/C16H21NO4S/c1-3-5-6-9-21-12-8-7-11(10-13(12)20-4-2)14-15(18)17-16(19)22-14/h7-8,10,14H,3-6,9H2,1-2H3,(H,17,18,19)"	"CRPGRUONUFDYBG-UHFFFAOYSA-N"	FALSE	TRUE	4330	3	5
"79770-24-4"	"DTXSID0023165"	"Iotrolan"	"EPA_DSSTox"	"CN(C1=C(I)C(=C(I)C(=C1I)C(=O)NC(CO)C(O)CO)C(=O)NC(CO)C(O)CO)C(=O)CC(=O)N(C)C1=C(I)C(=C(I)C(=C1I)C(=O)NC(CO)C(O)CO)C(=O)NC(CO)C(O)CO"	"?"	"InChI=1S/C37H48I6N6O18/c1-48(32-28(40)22(34(64)44-12(4-50)16(58)8-54)26(38)23(29(32)41)35(65)45-13(5-51)17(59)9-55)20(62)3-21(63)49(2)33-30(42)24(36(66)46-14(6-52)18(60)10-56)27(39)25(31(33)43)37(67)47-15(7-53)19(61)11-57/h12-19,50-61H,3-11H2,1-2H3,(H,44,64)(H,45,65)(H,46,66)(H,47,67)"	"XUHXFSYUBXNTHU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"79794-75-5"	"DTXSID2023224"	"Loratadine"	"EPA_DSSTox"	"CCOC(=O)N1CCC(CC1)=C1C2N=CC=CC=2CCC2C=C(Cl)C=CC=21"	"?"	"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"	FALSE	TRUE	NA	4	5
"79983-71-4"	"DTXSID4034653"	"Hexaconazole"	"EPA_DSSTox"	"CCCCC(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1Cl"	"?"	"InChI=1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3"	"STMIIPIFODONDC-UHFFFAOYSA-N"	FALSE	TRUE	2189	3	5
"79985-89-0"	NA	NA	"Public_CrossChecked"	"CCCC(C)OP(=S)(OC)OC"	"?"	"InChI=1S/C7H17O3PS/c1-5-6-7(2)10-11(12,8-3)9-4/h7H,5-6H2,1-4H3"	"WFKICLHWGJUALX-UHFFFAOYSA-N"	FALSE	FALSE	311	2	4
"79985-91-4"	"DTXSID50229981"	"Phosphorothioic acid, O,O-dimethyl S-isopropyl ester"	"EPA_DSSTox"	"CC(C)SP(=O)(OC)OC"	"?"	"InChI=1S/C5H13O3PS/c1-5(2)10-9(6,7-3)8-4/h5H,1-4H3"	"APNRBRNCRUKWCL-UHFFFAOYSA-N"	FALSE	FALSE	108	2	3
"79985-92-5"	"DTXSID10229982"	"Phosphorothioic acid, S-tert-butyl O,O-dimethyl ester"	"EPA_DSSTox"	"CC(C)(C)SP(=O)(OC)OC"	"?"	"InChI=1S/C6H15O3PS/c1-6(2,3)11-10(7,8-4)9-5/h1-5H3"	"ZFUWRLMLTYFAOE-UHFFFAOYSA-N"	FALSE	FALSE	63.4	2	3
"80-00-2"	"DTXSID9042259"	"4-Chlorophenyl phenyl sulfone"	"EPA_DSSTox"	"O=S(=O)(C1C=CC=CC=1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C12H9ClO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H"	"OFCFYWOKHPOXKF-UHFFFAOYSA-N"	FALSE	FALSE	1400	3	4
"80-02-4"	"DTXSID40229990"	"2-p-Sulfanilylanilinoethanol"	"EPA_DSSTox"	"NC1C=CC(=CC=1)S(=O)(=O)C1C=CC(=CC=1)NCCO"	"?"	"InChI=1S/C14H16N2O3S/c15-11-1-5-13(6-2-11)20(18,19)14-7-3-12(4-8-14)16-9-10-17/h1-8,16-17H,9-10,15H2"	"LLBKEUTWJFQRJU-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"80-04-6"	"DTXSID0044993"	"4,4'-Propane-2,2-diyldicyclohexanol"	"EPA_DSSTox"	"CC(C)(C1CCC(O)CC1)C1CCC(O)CC1"	"?"	"InChI=1S/C15H28O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h11-14,16-17H,3-10H2,1-2H3"	"CDBAMNGURPMUTG-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"80-06-8"	"DTXSID7040283"	"Chlorfenethol"	"EPA_DSSTox"	"CC(O)(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C14H12Cl2O/c1-14(17,10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11/h2-9,17H,1H3"	"URYAFVKLYSEINW-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"80-07-9"	"DTXSID9024986"	"4,4'-Dichlorodiphenyl sulfone"	"EPA_DSSTox"	"O=S(=O)(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C12H8Cl2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H"	"GPAPPPVRLPGFEQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"80-08-0"	"DTXSID4020371"	"Dapsone"	"EPA_DSSTox"	"NC1C=CC(=CC=1)S(=O)(=O)C1C=CC(N)=CC=1"	"?"	"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"	FALSE	FALSE	1000	3	4
"80-09-1"	"DTXSID3022409"	"4,4'-Sulfonyldiphenol"	"EPA_DSSTox"	"OC1C=CC(=CC=1)S(=O)(=O)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H"	"VPWNQTHUCYMVMZ-UHFFFAOYSA-N"	FALSE	TRUE	2830	3	5
"80-11-5"	"DTXSID8058827"	"Benzenesulfonamide, N,4-dimethyl-N-nitroso-"	"EPA_DSSTox"	"CC1C=CC(=CC=1)S(=O)(=O)N(C)N=O"	"?"	"InChI=1S/C8H10N2O3S/c1-7-3-5-8(6-4-7)14(12,13)10(2)9-11/h3-6H,1-2H3"	"FFKZOUIEAHOBHW-UHFFFAOYSA-N"	FALSE	TRUE	2700	3	5
"80-15-9"	"DTXSID3024869"	"Cumene hydroperoxide"	"EPA_DSSTox"	"CC(C)(OO)C1C=CC=CC=1"	"?"	"InChI=1S/C9H12O2/c1-9(2,11-10)8-6-4-3-5-7-8/h3-7,10H,1-2H3"	"YQHLDYVWEZKEOX-UHFFFAOYSA-N"	FALSE	FALSE	382	2	4
"80-26-2"	"DTXSID2026496"	"alpha-Terpinyl acetate"	"EPA_DSSTox"	"CC1CCC(CC=1)C(C)(C)OC(C)=O"	"?"	"InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3"	"IGODOXYLBBXFDW-UHFFFAOYSA-N"	FALSE	TRUE	5075	4	5
"80-33-1"	"DTXSID5020310"	"Chlorfenson"	"EPA_DSSTox"	"O=S(=O)(OC1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C12H8Cl2O3S/c13-9-1-5-11(6-2-9)17-18(15,16)12-7-3-10(14)4-8-12/h1-8H"	"RZXLPPRPEOUENN-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"80-34-2"	"DTXSID80229994"	"Glyprothiazol [INN:DCF]"	"EPA_DSSTox"	"CC(C)C1=NN=C(NS(=O)(=O)C2C=CC(N)=CC=2)S1"	"?"	"InChI=1S/C11H14N4O2S2/c1-7(2)10-13-14-11(18-10)15-19(16,17)9-5-3-8(12)4-6-9/h3-7H,12H2,1-2H3,(H,14,15)"	"OPIGMRDAPFQALU-UHFFFAOYSA-N"	FALSE	TRUE	3940	3	5
"80-35-3"	"DTXSID5023611"	"Sulfamethoxypyridazine"	"EPA_DSSTox"	"COC1C=CC(NS(=O)(=O)C2C=CC(N)=CC=2)=NN=1"	"?"	"InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)"	"VLYWMPOKSSWJAL-UHFFFAOYSA-N"	FALSE	TRUE	2739	3	5
"80-38-6"	"DTXSID6041973"	"Fenson"	"EPA_DSSTox"	"O=S(=O)(OC1C=CC(Cl)=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C12H9ClO3S/c13-10-6-8-11(9-7-10)16-17(14,15)12-4-2-1-3-5-12/h1-9H"	"SPJOZZSIXXJYBT-UHFFFAOYSA-N"	FALSE	FALSE	1350	3	4
"80-41-1"	"DTXSID20883256"	"Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate)"	"EPA_DSSTox"	"CC1=CC=C(C=C1)S(=O)(=O)OCCCl"	"?"	"InChI=1S/C9H11ClO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,6-7H2,1H3"	"ZXNMIUJDTOMBPV-UHFFFAOYSA-N"	FALSE	FALSE	498	2	4
"80-43-3"	"DTXSID1025017"	"Dicumyl peroxide"	"EPA_DSSTox"	"CC(C)(OOC(C)(C)C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C18H22O2/c1-17(2,15-11-7-5-8-12-15)19-20-18(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3"	"XMNIXWIUMCBBBL-UHFFFAOYSA-N"	FALSE	TRUE	4100	3	5
"80-46-6"	"DTXSID8021771"	"4-(2-Methylbutan-2-yl)phenol"	"EPA_DSSTox"	"CC(C)(CC)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3"	"NRZWYNLTFLDQQX-UHFFFAOYSA-N"	FALSE	FALSE	1830	3	4
"80-48-8"	"DTXSID4052550"	"Methyl toluene-4-sulfonate"	"EPA_DSSTox"	"CC1C=CC(=CC=1)S(=O)(=O)OC"	"?"	"InChI=1S/C8H10O3S/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3"	"VUQUOGPMUUJORT-UHFFFAOYSA-N"	FALSE	FALSE	341	2	4
"80-51-3"	"DTXSID7026499"	"4,4'-Oxybis(benzenesulfonhydrazide)"	"EPA_DSSTox"	"NNS(=O)(=O)C1C=CC(=CC=1)OC1C=CC(=CC=1)S(=O)(=O)NN"	"?"	"InChI=1S/C12H14N4O5S2/c13-15-22(17,18)11-5-1-9(2-6-11)21-10-3-7-12(8-4-10)23(19,20)16-14/h1-8,15-16H,13-14H2"	"NBOCQTNZUPTTEI-UHFFFAOYSA-N"	FALSE	TRUE	2300	3	5
"80-54-6"	"DTXSID9026500"	"3-(4-tert-Butylphenyl)-2-methylpropanal"	"EPA_DSSTox"	"CC(CC1=CC=C(C=C1)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"	FALSE	FALSE	1390	3	4
"80-56-8"	"DTXSID4026501"	"alpha-Pinene"	"EPA_DSSTox"	"CC1=CCC2CC1C2(C)C"	"?"	"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3"	"GRWFGVWFFZKLTI-UHFFFAOYSA-N"	FALSE	TRUE	3700	3	5
"80-59-1"	"DTXSID80883257"	"2-Butenoic acid, 2-methyl-, (2E)-"	"EPA_DSSTox"	"CC(=CC)C(O)=O"	"?"	"InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)"	"UIERETOOQGIECD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"80-63-7"	"DTXSID4025585"	"Methyl 2-chloroacrylate"	"EPA_DSSTox"	"COC(=O)C(=C)Cl"	"?"	"InChI=1S/C4H5ClO2/c1-3(5)4(6)7-2/h1H2,2H3"	"AWJZTPWDQYFQPQ-UHFFFAOYSA-N"	FALSE	FALSE	68	2	3
"80-73-9"	"DTXSID1073153"	"N,N'-Dimethylimidazolidinone"	"EPA_DSSTox"	"CN1CCN(C)C1=O"	"?"	"InChI=1S/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3"	"CYSGHNMQYZDMIA-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"80-77-3"	"DTXSID3022798"	"Chlormezanone"	"EPA_DSSTox"	"CN1C(C2C=CC(Cl)=CC=2)S(=O)(=O)CCC1=O"	"?"	"InChI=1S/C11H12ClNO3S/c1-13-10(14)6-7-17(15,16)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3"	"WEQAYVWKMWHEJO-UHFFFAOYSA-N"	FALSE	FALSE	605	3	4
"8000-29-1"	NA	NA	"Public_CrossChecked"	"CC(CCC=C(C)C)CC=O"	"?"	"InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3"	"NEHNMFOYXAPHSD-UHFFFAOYSA-N"	FALSE	TRUE	7200	4	5
"80012-43-7"	"DTXSID2048371"	"Epinastine"	"EPA_DSSTox"	"NC1=NCC2C3C=CC=CC=3CC3C=CC=CC=3N12"	"?"	"InChI=1S/C16H15N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15H,9-10H2,(H2,17,18)"	"WHWZLSFABNNENI-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"80024-58-4"	NA	NA	"Public_CrossChecked"	"CN1CC(OC(C)=O)N(C1=O)C1C=C(ON=1)C(C)(C)C"	"?"	"InChI=1S/C13H19N3O4/c1-8(17)19-11-7-15(5)12(18)16(11)10-6-9(20-14-10)13(2,3)4/h6,11H,7H2,1-5H3"	"QXOWNFHVPIWXKF-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"80026-34-2"	"DTXSID10230018"	"1H-Imidazol-2-amine, 4,5-dihydro-N-(2,6-dichlorophenyl)-1-(3-pyridinylcarbonyl)-"	"EPA_DSSTox"	"O=C(C1=CN=CC=C1)N1CCN=C1NC1C(Cl)=CC=CC=1Cl"	"?"	"InChI=1S/C15H12Cl2N4O/c16-11-4-1-5-12(17)13(11)20-15-19-7-8-21(15)14(22)10-3-2-6-18-9-10/h1-6,9H,7-8H2,(H,19,20)"	"SXTLDQYWSNSFBS-UHFFFAOYSA-N"	FALSE	FALSE	80	2	3
"8003-22-3"	"DTXSID7024906"	"D&C Yellow 11"	"EPA_DSSTox"	"O=C1C(C2C=CC3C=CC=CC=3N=2)C(=O)C2C=CC=CC1=2"	"?"	"InChI=1S/C18H11NO2/c20-17-12-6-2-3-7-13(12)18(21)16(17)15-10-9-11-5-1-4-8-14(11)19-15/h1-10,16H"	"IZMJMCDDWKSTTK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"8003-46-1"	NA	NA	"Public_CrossChecked"	"[O-][N+](=O)C1C(Cl)=CC(Cl)=C(C=1Cl)[N+]([O-])=O"	"?"	"InChI=1S/C6HCl3N2O4/c7-2-1-3(8)6(11(14)15)4(9)5(2)10(12)13/h1H"	"BPMOJGOPWSCNHJ-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"8003-50-7"	NA	NA	"Public_CrossChecked"	"OC(=O)C1=CC(C=CC1=O)N=NC1C=CC(=CC=1)C1C=CC(=CC=1)N=NC1=CC=C(N=NC2C=CC(=O)C=C2)C2C=C(C=CC=21)S(O)(=O)=O"	"[Na+].[Na+]"	"InChI=1S/C35H24N6O7S/c42-27-12-9-25(10-13-27)38-41-33-17-16-32(29-15-14-28(20-30(29)33)49(46,47)48)40-37-24-7-3-22(4-8-24)21-1-5-23(6-2-21)36-39-26-11-18-34(43)31(19-26)35(44)45/h1-20,25-26H,(H,44,45)(H,46,47,48)"	"MPPGINSLDHRSOT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"8004-87-3"	"DTXSID8046666"	"Methyl Violet"	"EPA_DSSTox"	"CN=C1C=CC(C=C1)=C(C1C=CC(=CC=1)N(C)C)C1C=CC(=CC=1)N(C)C"	"?"	"InChI=1S/C24H27N3/c1-25-21-12-6-18(7-13-21)24(19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5/h6-17H,1-5H3"	"AMPCGOAFZFKBGH-UHFFFAOYSA-N"	FALSE	FALSE	413	2	4
"8006-39-1"	NA	NA	"Public_CrossChecked"	"CC1CCC(CC=1)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"	FALSE	TRUE	4300	3	5
"8007-43-0"	"DTXSID6027682"	"Sorbitan sesquioleate"	"EPA_DSSTox"	"CCCCCCCCC=CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC=CCCCCCCCC)C1OCC(O)C1O"	"?"	"InChI=1S/C42H76O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)47-36-38(42-41(46)37(43)35-48-42)49-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37-38,41-43,46H,3-16,21-36H2,1-2H3"	"TTZKGYULRVDFJJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"80085-38-7"	"DTXSID80230065"	"Cyclohexanecarboxamide, N-ethyl-N-(3-((1-methyl-1H-tetrazol-5-yl)thio)propyl)-"	"EPA_DSSTox"	"CN1N=NN=C1SCCCN(CC)C(=O)C1CCCCC1"	"?"	"InChI=1S/C14H25N5OS/c1-3-19(13(20)12-8-5-4-6-9-12)10-7-11-21-14-15-16-17-18(14)2/h12H,3-11H2,1-2H3"	"UFWASESOQFUAQE-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"80085-45-6"	"DTXSID40230066"	"Cyclopentanecarboxamide, N-ethyl-N-(3-((1-methyl-1H-tetrazol-5-yl)thio)propyl)-"	"EPA_DSSTox"	"CN1N=NN=C1SCCCN(CC)C(=O)C1CCCC1"	"?"	"InChI=1S/C13H23N5OS/c1-3-18(12(19)11-7-4-5-8-11)9-6-10-20-13-14-15-16-17(13)2/h11H,3-10H2,1-2H3"	"ILQSPLOAWFZQTB-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"80086-35-7"	"DTXSID60230068"	"1H-Tetrazole-1-butanamide, N-cyclohexyl-N-ethyl-5-methyl-"	"EPA_DSSTox"	"CC1=NN=NN1CCCC(=O)N(CC)C1CCCCC1"	"?"	"InChI=1S/C14H25N5O/c1-3-18(13-8-5-4-6-9-13)14(20)10-7-11-19-12(2)15-16-17-19/h13H,3-11H2,1-2H3"	"GNNJQTRYMSDETQ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"80086-85-7"	"DTXSID20230069"	"1H-Tetrazole, 1-methyl-5-((3-((5-methyl-1,3,4-oxadiazol-2-yl)thio)propyl)thio)-"	"EPA_DSSTox"	"CC1=NN=C(O1)SCCCSC1=NN=NN1C"	"?"	"InChI=1S/C8H12N6OS2/c1-6-9-11-8(15-6)17-5-3-4-16-7-10-12-13-14(7)2/h3-5H2,1-2H3"	"FDGHRMFPJSPQMK-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"80086-97-1"	"DTXSID30230070"	"1H-Tetrazole, 5-((3-(ethylthio)propyl)thio)-1-methyl-"	"EPA_DSSTox"	"CCSCCCSC1=NN=NN1C"	"?"	"InChI=1S/C7H14N4S2/c1-3-12-5-4-6-13-7-8-9-10-11(7)2/h3-6H2,1-2H3"	"DLWPGLIDDATJKN-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"80087-19-0"	NA	NA	"Public_CrossChecked"	"CN1N=NN=C1SCCCS(=O)C1C=CC=CN=1"	"?"	"InChI=1S/C10H13N5OS2/c1-15-10(12-13-14-15)17-7-4-8-18(16)9-5-2-3-6-11-9/h2-3,5-6H,4,7-8H2,1H3"	"VOXQTLOEQYFOPR-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"80087-26-9"	"DTXSID10230073"	"2-Propanone, 1-((1-methyl-1H-tetrazol-5-yl)thio)-"	"EPA_DSSTox"	"CC(=O)CSC1=NN=NN1C"	"?"	"InChI=1S/C5H8N4OS/c1-4(10)3-11-5-6-7-8-9(5)2/h3H2,1-2H3"	"SRWOHNSVTLKUQP-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"80087-46-3"	"DTXSID70230074"	"1-Butanone, 4-((1-methyl-1H-tetrazol-5-yl)thio)-1-(2-thienyl)-"	"EPA_DSSTox"	"CN1N=NN=C1SCCCC(=O)C1=CC=CS1"	"?"	"InChI=1S/C10H12N4OS2/c1-14-10(11-12-13-14)17-7-2-4-8(15)9-5-3-6-16-9/h3,5-6H,2,4,7H2,1H3"	"OMWWJHVYRYUDQO-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"801-52-5"	NA	NA	"Public_CrossChecked"	"CN1C2CN3C4=C(C(COC(N)=O)C3(OC)C12)C(=O)C(=N)C(C)C4=O"	"?"	"InChI=1S/C16H20N4O5/c1-6-10(17)13(22)9-7(5-25-15(18)23)16(24-3)14-8(19(14)2)4-20(16)11(9)12(6)21/h6-8,14,17H,4-5H2,1-3H3,(H2,18,23)"	"ZOMZILKTOFTBKI-UHFFFAOYSA-N"	FALSE	FALSE	68	2	3
"80100-23-8"	NA	NA	"Public_CrossChecked"	"OC(C1C=CC=NC=1Cl)C1C=CC=CC=1"	"?"	"InChI=1S/C12H10ClNO/c13-12-10(7-4-8-14-12)11(15)9-5-2-1-3-6-9/h1-8,11,15H"	"DFZYQRVGTKIAOU-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"80100-26-1"	NA	NA	"Public_CrossChecked"	"OC(C1=CC=CN=C1Cl)C1C=CC(F)=CC=1F"	"?"	"InChI=1S/C12H8ClF2NO/c13-12-9(2-1-5-16-12)11(17)8-4-3-7(14)6-10(8)15/h1-6,11,17H"	"DETCBKIOSVYTIW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"80176-21-2"	NA	NA	"Public_CrossChecked"	"CC1C=CC=CC=1OCC(O)CN(N/C=N/C(=O)C1C=CC=CC=1)C(C)C"	"?"	"InChI=1S/C21H27N3O3/c1-16(2)24(23-15-22-21(26)18-10-5-4-6-11-18)13-19(25)14-27-20-12-8-7-9-17(20)3/h4-12,15-16,19,25H,13-14H2,1-3H3,(H,22,23,26)"	"CQINCUVDUJRJSB-UHFFFAOYSA-N"	FALSE	TRUE	2933	3	5
"80214-83-1"	"DTXSID8041117"	"Roxithromycin"	"EPA_DSSTox"	"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(=NOCOCCOC)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"	"RXZBMPWDPOLZGW-UHFFFAOYSA-N"	FALSE	FALSE	830	3	4
"8022-96-6"	NA	NA	"Public_CrossChecked"	"CC1CCCC=1CC=CC"	"?"	"InChI=1S/C10H16/c1-3-4-7-10-8-5-6-9(10)2/h3-4H,5-8H2,1-2H3"	"QUQOZOBHIUEDSV-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"8028-48-6"	NA	NA	"Public_CrossChecked"	"CC(CCC=C(C)C=O)=CCCC(=C)C=C"	"?"	"InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,9,11-12H,1-2,6-8,10H2,3-4H3"	"NOPLRNXKHZRXHT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"80303-93-1"	NA	NA	"Public_CrossChecked"	"OCCSSC1C(Cl)=C(Cl)C(Cl)=C(Cl)C=1Cl"	"?"	"InChI=1S/C8H5Cl5OS2/c9-3-4(10)6(12)8(7(13)5(3)11)16-15-2-1-14/h14H,1-2H2"	"WNDIXJLBXHYTBK-UHFFFAOYSA-N"	FALSE	TRUE	2861	3	5
"80310-21-0"	"DTXSID10230250"	"4H-Pyrido(1,2-a)pyrimidin-4-one, 2,9-dimethyl-3-ethyl-, monohydrochloride"	"EPA_DSSTox"	"CCC1C(=O)N2C=CC=C(C)C2=NC=1C"	"Cl"	"InChI=1S/C12H14N2O/c1-4-10-9(3)13-11-8(2)6-5-7-14(11)12(10)15/h5-7H,4H2,1-3H3"	"KIYKJTIONPRZJR-UHFFFAOYSA-N"	FALSE	FALSE	820	3	4
"80382-23-6"	NA	NA	"Public_CrossChecked"	"CC(C(O)=O)C1C=CC(CC2CCCC2=O)=CC=1"	"O.O.[Na+]"	"InChI=1S/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)"	"YMBXTVYHTMGZDW-UHFFFAOYSA-N"	FALSE	FALSE	145	2	3
"80449-58-7"	NA	NA	"Public_CrossChecked"	"CC1(C)C2CCC(=CC(C)=O)C32CC1C(C)CC3"	"?"	"InChI=1S/C17H26O/c1-11-7-8-17-10-14(11)16(3,4)15(17)6-5-13(17)9-12(2)18/h9,11,14-15H,5-8,10H2,1-4H3"	"WXETUDXXEZHSCS-UHFFFAOYSA-N"	FALSE	TRUE	5200	4	5
"8046-53-5"	NA	NA	"Public_CrossChecked"	"OS(=O)(=O)C1C=CC=CC=1"	"[Na+]"	"InChI=1S/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)"	"SRSXLGNVWSONIS-UHFFFAOYSA-N"	FALSE	TRUE	2050	3	5
"80463-73-6"	"DTXSID00230340"	"Butanamide, N-ethyl-4-((1-methyl-1H-tetrazol-5-yl)thio)-N-phenyl-"	"EPA_DSSTox"	"CN1N=NN=C1SCCCC(=O)N(CC)C1C=CC=CC=1"	"?"	"InChI=1S/C14H19N5OS/c1-3-19(12-8-5-4-6-9-12)13(20)10-7-11-21-14-15-16-17-18(14)2/h4-6,8-9H,3,7,10-11H2,1-2H3"	"GWAWZLIQMUDDLO-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"80463-78-1"	NA	NA	"Public_CrossChecked"	"CN1N=NN=C1SCCCC(=O)NC1CCCCC1"	"?"	"InChI=1S/C12H21N5OS/c1-17-12(14-15-16-17)19-9-5-8-11(18)13-10-6-3-2-4-7-10/h10H,2-9H2,1H3,(H,13,18)"	"BSQYHCRAVZTITA-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"80463-89-4"	"DTXSID60230341"	"Butanamide, N-cyclohexyl-N-(2-(3,4-dimethoxyphenyl)ethyl)-4-((1-methyl-1H-tetrazol-5-yl)thio)-"	"EPA_DSSTox"	"CN1N=NN=C1SCCCC(=O)N(CCC1C=C(OC)C(=CC=1)OC)C1CCCCC1"	"?"	"InChI=1S/C22H33N5O3S/c1-26-22(23-24-25-26)31-15-7-10-21(28)27(18-8-5-4-6-9-18)14-13-17-11-12-19(29-2)20(16-17)30-3/h11-12,16,18H,4-10,13-15H2,1-3H3"	"ZTWBFLALLWDVQG-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"80464-05-7"	NA	NA	"Public_CrossChecked"	"CN(C)C1C=CC(=CC=1)NC(=O)CCCSC1=NN=NN1C"	"?"	"InChI=1S/C14H20N6OS/c1-19(2)12-8-6-11(7-9-12)15-13(21)5-4-10-22-14-16-17-18-20(14)3/h6-9H,4-5,10H2,1-3H3,(H,15,21)"	"WKLKPZAMTNLNQV-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"80464-10-4"	"DTXSID20230342"	"Butanamide, N-ethyl-4-((1-methyl-1H-tetrazol-5-yl)thio)-N-2-pyridinyl-"	"EPA_DSSTox"	"CN1N=NN=C1SCCCC(=O)N(CC)C1=CC=CC=N1"	"?"	"InChI=1S/C13H18N6OS/c1-3-19(11-7-4-5-9-14-11)12(20)8-6-10-21-13-15-16-17-18(13)2/h4-5,7,9H,3,6,8,10H2,1-2H3"	"MWDKLAHJEJZVGV-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"80464-16-0"	NA	NA	"Public_CrossChecked"	"CN1N=NN=C1SCCCC(=O)N(CC)C1CCCCC1O"	"?"	"InChI=1S/C14H25N5O2S/c1-3-19(11-7-4-5-8-12(11)20)13(21)9-6-10-22-14-15-16-17-18(14)2/h11-12,20H,3-10H2,1-2H3"	"WDEVTYTUQHLYHJ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"80472-85-1"	"DTXSID80230348"	"1H-Tetrazole-5-pentanamide, N-cyclohexyl-N-ethyl-1-phenyl-"	"EPA_DSSTox"	"CCN(C1CCCCC1)C(=O)CCCCC1=NN=NN1C1C=CC=CC=1"	"?"	"InChI=1S/C20H29N5O/c1-2-24(17-11-5-3-6-12-17)20(26)16-10-9-15-19-21-22-23-25(19)18-13-7-4-8-14-18/h4,7-8,13-14,17H,2-3,5-6,9-12,15-16H2,1H3"	"KEJRVBBZOIUEDA-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"80472-86-2"	"DTXSID40230349"	"Propanamide, N,N-diethyl-3-(((1-methyl-1H-tetrazol-5-yl)methyl)thio)-"	"EPA_DSSTox"	"CN1N=NN=C1CSCCC(=O)N(CC)CC"	"?"	"InChI=1S/C10H19N5OS/c1-4-15(5-2)10(16)6-7-17-8-9-11-12-13-14(9)3/h4-8H2,1-3H3"	"IROUFHSMZGTKRE-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"80472-88-4"	"DTXSID50230350"	"Propanamide, N,N-diethyl-3-(((1-(4-ethylphenyl)-1H-tetrazol-5-yl)methyl)thio)-"	"EPA_DSSTox"	"CCC1=CC=C(C=C1)N1N=NN=C1CSCCC(=O)N(CC)CC"	"?"	"InChI=1S/C17H25N5OS/c1-4-14-7-9-15(10-8-14)22-16(18-19-20-22)13-24-12-11-17(23)21(5-2)6-3/h7-10H,4-6,11-13H2,1-3H3"	"YGJPZHHSAQYFEG-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"80474-14-2"	"DTXSID8045511"	"Fluticasone propionate"	"EPA_DSSTox"	"CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(OC(=O)CC)C(=O)SCF"	"?"	"InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3"	"WMWTYOKRWGGJOA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"80567-67-5"	"DTXSID40230400"	"2(3H)-Benzothiazolone, 4,6-dimethyl-"	"EPA_DSSTox"	"CC1C=C(C)C2NC(=O)SC=2C=1"	"?"	"InChI=1S/C9H9NOS/c1-5-3-6(2)8-7(4-5)12-9(11)10-8/h3-4H,1-2H3,(H,10,11)"	"LYSKATDZHMEORB-UHFFFAOYSA-N"	FALSE	TRUE	2920	3	5
"80584-91-4"	"DTXSID9072868"	"Hexanoic acid, 6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris-"	"EPA_DSSTox"	"OC(=O)CCCCCNC1N=C(NCCCCCC(O)=O)N=C(NCCCCCC(O)=O)N=1"	"?"	"InChI=1S/C21H36N6O6/c28-16(29)10-4-1-7-13-22-19-25-20(23-14-8-2-5-11-17(30)31)27-21(26-19)24-15-9-3-6-12-18(32)33/h1-15H2,(H,28,29)(H,30,31)(H,32,33)(H3,22,23,24,25,26,27)"	"BKKWPPMEXIXECW-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"80614-27-3"	NA	NA	"Public_CrossChecked"	"CCCCCC(C=CN1C=NC=C1)OCC1C=CC=CC=1"	"?"	"InChI=1S/C18H24N2O/c1-2-3-5-10-18(11-13-20-14-12-19-16-20)21-15-17-8-6-4-7-9-17/h4,6-9,11-14,16,18H,2-3,5,10,15H2,1H3"	"YPIURPNVKACZQH-UHFFFAOYSA-N"	FALSE	TRUE	2550	3	5
"80621-81-4"	"DTXSID7045998"	"Rifaximin"	"EPA_DSSTox"	"COC1C=COC2(C)OC3C(=C4C5N=C6C=C(C)C=CN6C=5C(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)=C(O)C4=C(O)C=3C)C2=O |c:29|"	"?"	"InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11?,17-15?,21-13-"	"NZCRJKRKKOLAOJ-ZQOBQIMBSA-N"	FALSE	TRUE	NA	3	5
"80689-16-3"	"DTXSID80230505"	"2(3H)-Benzothiazolone, 6-methoxy-4-methyl-"	"EPA_DSSTox"	"CC1=CC(=CC2SC(=O)NC1=2)OC"	"?"	"InChI=1S/C9H9NO2S/c1-5-3-6(12-2)4-7-8(5)10-9(11)13-7/h3-4H,1-2H3,(H,10,11)"	"SOZONSXBIDNNRB-UHFFFAOYSA-N"	FALSE	TRUE	7580	4	5
"80693-00-1"	"DTXSID9052553"	"3,9-Bis(2,6-di-tert-butyl-4-methylphenoxy)-1,5,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane"	"EPA_DSSTox"	"CC(C)(C)C1C=C(C)C=C(C=1OP1COC2(COP(OC3C(=CC(C)=CC=3C(C)(C)C)C(C)(C)C)OC2)OC1)C(C)(C)C"	"?"	"InChI=1S/C35H54O6P2/c1-23-15-25(31(3,4)5)29(26(16-23)32(6,7)8)40-42-21-36-35(37-22-42)19-38-43(39-20-35)41-30-27(33(9,10)11)17-24(2)18-28(30)34(12,13)14/h15-18H,19-22H2,1-14H3"	"XZLOATMEHRADOF-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"80733-97-7"	"DTXSID40230581"	"2,4(1H,3H)-Pyridinedione, 3,3-diethyl-1-(1-piperazinylmethyl)-"	"EPA_DSSTox"	"CCC1(CC)C(=O)N(CN2CCNCC2)C=CC1=O"	"?"	"InChI=1S/C14H23N3O2/c1-3-14(4-2)12(18)5-8-17(13(14)19)11-16-9-6-15-7-10-16/h5,8,15H,3-4,6-7,9-11H2,1-2H3"	"MMGVQQXRNDQEPP-UHFFFAOYSA-N"	FALSE	FALSE	1340	3	4
"80763-10-6"	NA	NA	"Public_CrossChecked"	"CCC(O)OC(C)(C)C"	"?"	"InChI=1S/C7H16O2/c1-5-6(8)9-7(2,3)4/h6,8H,5H2,1-4H3"	"JJJTYYIVEITCFU-UHFFFAOYSA-N"	FALSE	TRUE	2525	3	5
"80803-92-5"	NA	NA	"Public_CrossChecked"	"CC1(C)C(C1C=NOCC1=CC=CO1)C(=O)OC(C#N)C1=CC(=CC=C1)OC1C=CC=CC=1"	"?"	"InChI=1S/C26H24N2O5/c1-26(2)22(16-28-31-17-21-12-7-13-30-21)24(26)25(29)33-23(15-27)18-8-6-11-20(14-18)32-19-9-4-3-5-10-19/h3-14,16,22-24H,17H2,1-2H3"	"VPYUUNAASHRARR-UHFFFAOYSA-N"	FALSE	FALSE	91	2	3
"80828-32-6"	NA	NA	"Public_CrossChecked"	"CC(NC(CCC1C=CC=CC=1)C(=O)OCC)C(=O)N1C2CCCCC2CC1C(O)=O"	"[Cl-]"	"InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)"	"VXFJYXUZANRPDJ-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"80834-48-6"	"DTXSID40230647"	"2(1H)-Quinolinone, 3,4-dihydro-6-(1-oxo-3-(4-phenyl-1-piperazinyl)propyl)-"	"EPA_DSSTox"	"O=C1CCC2=CC(=CC=C2N1)C(=O)CCN1CCN(CC1)C1C=CC=CC=1"	"?"	"InChI=1S/C22H25N3O2/c26-21(18-6-8-20-17(16-18)7-9-22(27)23-20)10-11-24-12-14-25(15-13-24)19-4-2-1-3-5-19/h1-6,8,16H,7,9-15H2,(H,23,27)"	"ANXUQYAKBBKZHV-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"80834-50-0"	"DTXSID60230649"	"2(1H)-Quinolinone, 3,4-dihydro-6-(4-(4-(2-chlorophenyl)-1-piperazinyl)-1-oxobutyl)-, hydrochloride, hydrate (1:1:1)"	"EPA_DSSTox"	"O=C1CCC2=CC(=CC=C2N1)C(=O)CCCN1CCN(CC1)C1=CC=CC=C1Cl"	"Cl"	"InChI=1S/C23H26ClN3O2/c24-19-4-1-2-5-21(19)27-14-12-26(13-15-27)11-3-6-22(28)18-7-9-20-17(16-18)8-10-23(29)25-20/h1-2,4-5,7,9,16H,3,6,8,10-15H2,(H,25,29)"	"MGWANDWMSKYXKT-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"80834-51-1"	NA	NA	"Public_CrossChecked"	"CCC(C(=O)c1cc2ccc(=O)[nH]c2cc1)N1CCN(CC1)C1=CC(Cl)=CC=C1"	"?"	"InChI=1S/C23H24ClN3O2/c1-2-21(23(29)17-6-8-20-16(14-17)7-9-22(28)25-20)27-12-10-26(11-13-27)19-5-3-4-18(24)15-19/h3-9,14-15,21H,2,10-13H2,1H3,(H,25,28)"	"LVCUAMMHDAVDEZ-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"80834-52-2"	NA	NA	"Public_CrossChecked"	"OC(CCCN1CCN(CC1)C1=CC(Cl)=CC=C1)C1C=C2CCC(=O)NC2=CC=1"	"?"	"InChI=1S/C23H28ClN3O2/c24-19-3-1-4-20(16-19)27-13-11-26(12-14-27)10-2-5-22(28)18-6-8-21-17(15-18)7-9-23(29)25-21/h1,3-4,6,8,15-16,22,28H,2,5,7,9-14H2,(H,25,29)"	"GOKCVODNFKBBAQ-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"80834-54-4"	"DTXSID70230650"	"2(1H)-Quinolinone, 3,4-dihydro-6-(3-(4-(3-chlorophenyl)-1-piperazinyl)-1-oxopropyl)-, monohydrochloride"	"EPA_DSSTox"	"O=C1CCC2=CC(=CC=C2N1)C(=O)CCN1CCN(CC1)C1=CC(Cl)=CC=C1"	"Cl"	"InChI=1S/C22H24ClN3O2/c23-18-2-1-3-19(15-18)26-12-10-25(11-13-26)9-8-21(27)17-4-6-20-16(14-17)5-7-22(28)24-20/h1-4,6,14-15H,5,7-13H2,(H,24,28)"	"VXVSAOUNYKSFFK-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"80834-55-5"	NA	NA	"Public_CrossChecked"	"O=C1CCC2=CC(C=CCN3CCN(CC3)C3=CC(Cl)=CC=C3)=CC=C2N1"	"?"	"InChI=1S/C22H24ClN3O/c23-19-4-1-5-20(16-19)26-13-11-25(12-14-26)10-2-3-17-6-8-21-18(15-17)7-9-22(27)24-21/h1-6,8,15-16H,7,9-14H2,(H,24,27)"	"OINBUEIJCDYAKA-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"80834-56-6"	NA	NA	"Public_CrossChecked"	"CCOC1C=CC=CC=1N1CCN(CC=CC2C=C3CCC(=O)NC3=CC=2)CC1"	"?"	"InChI=1S/C24H29N3O2/c1-2-29-23-8-4-3-7-22(23)27-16-14-26(15-17-27)13-5-6-19-9-11-21-20(18-19)10-12-24(28)25-21/h3-9,11,18H,2,10,12-17H2,1H3,(H,25,28)"	"IBAGCSRHNFKBQI-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"80834-58-8"	NA	NA	"Public_CrossChecked"	"O=C1CCC2=CC(C=CCCN3CCN(CC3)C3C=CC=CC=3)=CC=C2N1"	"?"	"InChI=1S/C23H27N3O/c27-23-12-10-20-18-19(9-11-22(20)24-23)6-4-5-13-25-14-16-26(17-15-25)21-7-2-1-3-8-21/h1-4,6-9,11,18H,5,10,12-17H2,(H,24,27)"	"LMCXNHCNKDRPES-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"80834-59-9"	NA	NA	"Public_CrossChecked"	"CCOC1C=CC=CC=1N1CCN(CCC=CC2C=C3CCC(=O)NC3=CC=2)CC1"	"?"	"InChI=1S/C25H31N3O2/c1-2-30-24-9-4-3-8-23(24)28-17-15-27(16-18-28)14-6-5-7-20-10-12-22-21(19-20)11-13-25(29)26-22/h3-5,7-10,12,19H,2,6,11,13-18H2,1H3,(H,26,29)"	"PPOSVGXTYKCAPK-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"80834-60-2"	NA	NA	"Public_CrossChecked"	"O=C1CCC2=CC(C=CCN3CCN(CC3)C3C=CC(Cl)=CC=3)=CC=C2N1"	"?"	"InChI=1S/C22H24ClN3O/c23-19-5-7-20(8-6-19)26-14-12-25(13-15-26)11-1-2-17-3-9-21-18(16-17)4-10-22(27)24-21/h1-3,5-9,16H,4,10-15H2,(H,24,27)"	"WVEOURZSZRGEEN-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"80834-62-4"	"DTXSID90230652"	"2(1H)-Quinolinone, 3,4-dihydro-6-(4-(4-(2-ethoxyphenyl)-1-piperazinyl)butyl)-"	"EPA_DSSTox"	"CCOC1=CC=CC=C1N1CCN(CCCCC2C=C3CCC(=O)NC3=CC=2)CC1"	"?"	"InChI=1S/C25H33N3O2/c1-2-30-24-9-4-3-8-23(24)28-17-15-27(16-18-28)14-6-5-7-20-10-12-22-21(19-20)11-13-25(29)26-22/h3-4,8-10,12,19H,2,5-7,11,13-18H2,1H3,(H,26,29)"	"FVPTZVIDVHTZHA-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"80834-63-5"	"DTXSID50230653"	"2(1H)-Quinolinone, 3,4-dihydro-6-(3-(4-(2-ethoxyphenyl)-1-piperazinyl)propyl)-"	"EPA_DSSTox"	"CCOC1=CC=CC=C1N1CCN(CCCC2C=C3CCC(=O)NC3=CC=2)CC1"	"?"	"InChI=1S/C24H31N3O2/c1-2-29-23-8-4-3-7-22(23)27-16-14-26(15-17-27)13-5-6-19-9-11-21-20(18-19)10-12-24(28)25-21/h3-4,7-9,11,18H,2,5-6,10,12-17H2,1H3,(H,25,28)"	"LNNZZDORFCHETO-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"80834-64-6"	"DTXSID10230654"	"2(1H)-Quinolinone, 3,4-dihydro-6-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)-"	"EPA_DSSTox"	"COC1=CC=CC=C1N1CCN(CCCC2C=C3CCC(=O)NC3=CC=2)CC1"	"?"	"InChI=1S/C23H29N3O2/c1-28-22-7-3-2-6-21(22)26-15-13-25(14-16-26)12-4-5-18-8-10-20-19(17-18)9-11-23(27)24-20/h2-3,6-8,10,17H,4-5,9,11-16H2,1H3,(H,24,27)"	"KGUDNVAUAZHJCX-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"80834-66-8"	NA	NA	"Public_CrossChecked"	"COC1C=CC=CC=1N1CCN(CC=CC2C=C3CCC(=O)NC3=CC=2)CC1"	"?"	"InChI=1S/C23H27N3O2/c1-28-22-7-3-2-6-21(22)26-15-13-25(14-16-26)12-4-5-18-8-10-20-19(17-18)9-11-23(27)24-20/h2-8,10,17H,9,11-16H2,1H3,(H,24,27)"	"RBHHPHLJNBJZIH-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"80834-68-0"	NA	NA	"Public_CrossChecked"	"CC1C=C(C=CC=1)N1CCN(CC=CC2C=C3CCC(=O)N(CC4C=CC=CC=4)C3=CC=2)CC1"	"C(=O)(C(=O)O)O"	"InChI=1S/C30H33N3O/c1-24-7-5-11-28(21-24)32-19-17-31(18-20-32)16-6-10-25-12-14-29-27(22-25)13-15-30(34)33(29)23-26-8-3-2-4-9-26/h2-12,14,21-22H,13,15-20,23H2,1H3"	"KHZLAFVJFCDIFO-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"80834-70-4"	NA	NA	"Public_CrossChecked"	"CC1C=CC(=CC=1)C1CCN(CC=1)CC=CC1C=C2CCC(=O)NC2=CC=1"	"?"	"InChI=1S/C24H26N2O/c1-18-4-7-20(8-5-18)21-12-15-26(16-13-21)14-2-3-19-6-10-23-22(17-19)9-11-24(27)25-23/h2-8,10,12,17H,9,11,13-16H2,1H3,(H,25,27)"	"ZACQJHOOQOJVCO-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"80834-72-6"	"DTXSID90230657"	"2(1H)-Quinolinone, 3,4-dihydro-6-(4-(4-(4-chlorophenyl)-3,6-dihydro-1(2H)-pyridinyl)-1-oxobutyl)-"	"EPA_DSSTox"	"O=C(CCCN1CC=C(CC1)C1C=CC(Cl)=CC=1)C1C=C2CCC(=O)NC2=CC=1"	"?"	"InChI=1S/C24H25ClN2O2/c25-21-7-3-17(4-8-21)18-11-14-27(15-12-18)13-1-2-23(28)20-5-9-22-19(16-20)6-10-24(29)26-22/h3-5,7-9,11,16H,1-2,6,10,12-15H2,(H,26,29)"	"KRMCFJTYRPOAEG-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"80834-73-7"	"DTXSID50230658"	"2(1H)-Quinolinone, 3,4-dihydro-6-(3-(3,6-dihydro-4-(4-methylphenyl)-1(2H)-pyridinyl)-1-oxopropyl)-"	"EPA_DSSTox"	"CC1=CC=C(C=C1)C1CCN(CC=1)CCC(=O)C1C=C2CCC(=O)NC2=CC=1"	"?"	"InChI=1S/C24H26N2O2/c1-17-2-4-18(5-3-17)19-10-13-26(14-11-19)15-12-23(27)21-6-8-22-20(16-21)7-9-24(28)25-22/h2-6,8,10,16H,7,9,11-15H2,1H3,(H,25,28)"	"PRXOEWWQWRAAGL-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"80834-75-9"	NA	NA	"Public_CrossChecked"	"COC1C=CC=CC=1C1CCN(CC=1)CC=CC1C=C2CCC(=O)NC2=CC=1"	"C(=O)(C(=O)O)O"	"InChI=1S/C24H26N2O2/c1-28-23-7-3-2-6-21(23)19-12-15-26(16-13-19)14-4-5-18-8-10-22-20(17-18)9-11-24(27)25-22/h2-8,10,12,17H,9,11,13-16H2,1H3,(H,25,27)"	"WJWCCJHFYAFFNN-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"80834-78-2"	"DTXSID10230659"	"2(1H)-Quinolinone, 3,4-dihydro-6-(3-(4-(2-methoxyphenyl)-1-piperidinyl)propyl)-, ethanedioate(1:1)"	"EPA_DSSTox"	"COC1=CC=CC=C1C1CCN(CCCC2C=C3CCC(=O)NC3=CC=2)CC1"	"OC(=O)C(O)=O"	"InChI=1S/C24H30N2O2/c1-28-23-7-3-2-6-21(23)19-12-15-26(16-13-19)14-4-5-18-8-10-22-20(17-18)9-11-24(27)25-22/h2-3,6-8,10,17,19H,4-5,9,11-16H2,1H3,(H,25,27)"	"PXBHYYBEBZNZTJ-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"80834-79-3"	"DTXSID20230660"	"2(1H)-Quinolinone, 6-(4-(4-phenyl-1-piperazinyl)butyl)-"	"EPA_DSSTox"	"O=C1C=CC2C=C(CCCCN3CCN(CC3)C3C=CC=CC=3)C=CC=2N1"	"?"	"InChI=1S/C23H27N3O/c27-23-12-10-20-18-19(9-11-22(20)24-23)6-4-5-13-25-14-16-26(17-15-25)21-7-2-1-3-8-21/h1-3,7-12,18H,4-6,13-17H2,(H,24,27)"	"ADDNRBBXLJRQFM-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"80834-80-6"	NA	NA	"Public_CrossChecked"	"CCOC1C=CC=CC=1N1CCN(CCC=Cc2cc3ccc(=O)[nH]c3cc2)CC1"	"?"	"InChI=1S/C25H29N3O2/c1-2-30-24-9-4-3-8-23(24)28-17-15-27(16-18-28)14-6-5-7-20-10-12-22-21(19-20)11-13-25(29)26-22/h3-5,7-13,19H,2,6,14-18H2,1H3,(H,26,29)"	"WTQXWMCWQHOPRX-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"80845-35-8"	"DTXSID20230721"	"2(1H)-Quinolinone, 3,4-dihydro-1-methyl-6-(1-oxo-3-(4-phenyl-1-piperazinyl)propyl)-, ethanedioate (1:1)"	"EPA_DSSTox"	"CN1C2=CC=C(C=C2CCC1=O)C(=O)CCN1CCN(CC1)C1C=CC=CC=1"	"OC(=O)C(O)=O"	"InChI=1S/C23H27N3O2/c1-24-21-9-7-19(17-18(21)8-10-23(24)28)22(27)11-12-25-13-15-26(16-14-25)20-5-3-2-4-6-20/h2-7,9,17H,8,10-16H2,1H3"	"ZDMXPRFHHLSZBX-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"80876-01-3"	NA	NA	"Public_CrossChecked"	"CC(NC(CCC1C=CC=CC=1)C(=O)OCC)C(=O)N1C2CCCCC2CC1C(O)=O"	"?"	"InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)"	"VXFJYXUZANRPDJ-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"81-04-9"	"DTXSID5046982"	"1,5-Naphthalenedisulfonic acid"	"EPA_DSSTox"	"OS(=O)(=O)C1=CC=CC2C1=CC=CC=2S(O)(=O)=O"	"?"	"InChI=1S/C10H8O6S2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)"	"XTEGVFVZDVNBPF-UHFFFAOYSA-N"	FALSE	TRUE	30000	4	5
"81-07-2"	"DTXSID5021251"	"Saccharin"	"EPA_DSSTox"	"O=C1NS(=O)(=O)C2C=CC=CC1=2"	"?"	"InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)"	"CVHZOJJKTDOEJC-UHFFFAOYSA-N"	FALSE	TRUE	14200	4	5
"81-13-0"	"DTXSID3022906"	"Dexpanthenol"	"EPA_DSSTox"	"CC(C)(CO)C(O)C(=O)NCCCO"	"?"	"InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)"	"SNPLKNRPJHDVJA-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"81-14-1"	"DTXSID6025690"	"Musk ketone"	"EPA_DSSTox"	"CC(=O)C1C(C)=C(C(=C(C=1C)[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"	FALSE	TRUE	NA	4	5
"81-15-2"	"DTXSID1021405"	"2,4,6-Trinitro-1,3-dimethyl-5-tert-butylbenzene"	"EPA_DSSTox"	"CC1=C(C(C)=C(C(=C1[N+]([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"	FALSE	TRUE	NA	4	5
"81-16-3"	"DTXSID7020922"	"2-Amino-1-naphthalenesulfonic acid"	"EPA_DSSTox"	"NC1C=CC2C=CC=CC=2C=1S(O)(=O)=O"	"?"	"InChI=1S/C10H9NO3S/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14/h1-6H,11H2,(H,12,13,14)"	"GWIAAIUASRVOIA-UHFFFAOYSA-N"	FALSE	TRUE	14200	4	5
"81-19-6"	"DTXSID8021773"	"alpha,alpha-2,6-Tetrachlorotoluene"	"EPA_DSSTox"	"ClC1C=CC=C(Cl)C=1C(Cl)Cl"	"?"	"InChI=1S/C7H4Cl4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,7H"	"QQPXXHAEIGVZKQ-UHFFFAOYSA-N"	FALSE	FALSE	1300	3	4
"81-23-2"	"DTXSID2022888"	"Dehydrocholic acid"	"EPA_DSSTox"	"CC(CCC(O)=O)C1CCC2C3C(CC(=O)C21C)C1(C)CCC(=O)CC1CC3=O"	"?"	"InChI=1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)"	"OHXPGWPVLFPUSM-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"81-30-1"	"DTXSID4052554"	"Naphthalene-1,8:4,5-tetracarboxylic dianhydride"	"EPA_DSSTox"	"O=C1OC(=O)C2=CC=C3C4=C2C1=CC=C4C(=O)OC3=O"	"?"	"InChI=1S/C14H4O6/c15-11-5-1-2-6-10-8(14(18)20-12(6)16)4-3-7(9(5)10)13(17)19-11/h1-4H"	"YTVNOVQHSGMMOV-UHFFFAOYSA-N"	FALSE	TRUE	7400	4	5
"81-64-1"	"DTXSID8044464"	"1,4-Dihydroxyanthracene-9,10-dione"	"EPA_DSSTox"	"OC1=CC=C(O)C2=C1C(=O)C1C=CC=CC=1C2=O"	"?"	"InChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H"	"GUEIZVNYDFNHJU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"81-77-6"	"DTXSID2026280"	"Vat Blue 4"	"EPA_DSSTox"	"O=C1C2C3NC4C=CC5=C(C=4NC=3C=CC=2C(=O)C2C=CC=CC1=2)C(=O)C1C=CC=CC=1C5=O"	"?"	"InChI=1S/C28H14N2O4/c31-25-13-5-1-3-7-15(13)27(33)21-17(25)9-11-19-23(21)29-20-12-10-18-22(24(20)30-19)28(34)16-8-4-2-6-14(16)26(18)32/h1-12,29-30H"	"UHOKSCJSTAHBSO-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"81-82-3"	"DTXSID8041797"	"Coumachlor"	"EPA_DSSTox"	"CC(=O)CC(C1=C(O)C2C=CC=CC=2OC1=O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C19H15ClO4/c1-11(21)10-15(12-6-8-13(20)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,22H,10H2,1H3"	"DEKWZWCFHUABHE-UHFFFAOYSA-N"	FALSE	FALSE	187	2	3
"81-83-4"	"DTXSID0044731"	"1H-Benzo[de]isoquinoline-1,3(2H)-dione"	"EPA_DSSTox"	"O=C1NC(=O)C2C=CC=C3C=CC=C1C3=2"	"?"	"InChI=1S/C12H7NO2/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13-11/h1-6H,(H,13,14,15)"	"XJHABGPPCLHLLV-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"81-84-5"	"DTXSID4026505"	"1H,3H-Naphtho(1,8-cd)pyran-1,3-dione"	"EPA_DSSTox"	"O=C1OC(=O)C2C=CC=C3C=CC=C1C3=2"	"?"	"InChI=1S/C12H6O3/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(14)15-11/h1-6H"	"GRSMWKLPSNHDHA-UHFFFAOYSA-N"	FALSE	TRUE	9600	4	5
"81025-03-8"	"DTXSID80230863"	"Lactitol dihydrate"	"EPA_DSSTox"	"OC(CO)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)CO"	"O.O"	"InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2"	"VQHSOMBJVWLPSR-UHFFFAOYSA-N"	FALSE	TRUE	27500	4	5
"81025-04-9"	"DTXSID6047028"	"D-Lactitol monohydrate"	"EPA_DSSTox"	"OC(CO)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)CO"	"O"	"InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2"	"VQHSOMBJVWLPSR-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"81098-60-4"	"DTXSID3022825"	"Cisapride"	"EPA_DSSTox"	"COC1=CC(N)=C(Cl)C=C1C(=O)NC1CCN(CC1OC)CCCOC1C=CC(F)=CC=1"	"?"	"InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)"	"DCSUBABJRXZOMT-UHFFFAOYSA-N"	FALSE	TRUE	4166	3	5
"81103-11-9"	"DTXSID3022829"	"Clarithromycin"	"EPA_DSSTox"	"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"	FALSE	FALSE	1270	3	4
"81129-83-1"	"DTXSID2046915"	"Cilastatin sodium"	"EPA_DSSTox"	"CC1(C)CC1C(=O)NC(=CCCCCSCC(N)C(O)=O)C(O)=O"	"[Na+]"	"InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)"	"DHSUYTOATWAVLW-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"81182-04-9"	NA	NA	"Public_CrossChecked"	"COC1C=C2C(CCC3=CC(OC)=C(C=C3)OC)=NCCC2=CC=1OC"	"[Cl-]"	"InChI=1S/C21H25NO4/c1-23-18-8-6-14(11-19(18)24-2)5-7-17-16-13-21(26-4)20(25-3)12-15(16)9-10-22-17/h6,8,11-13H,5,7,9-10H2,1-4H3"	"HMBAIFXFCAVTSP-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"81250-14-8"	"DTXSID40230980"	"1H-Purine-2,6-dione, 3,7-dihydro-3-butyl-8-methyl-1-(2-propenyl)-"	"EPA_DSSTox"	"CC1NC2=C(N=1)N(CCCC)C(=O)N(CC=C)C2=O"	"?"	"InChI=1S/C13H18N4O2/c1-4-6-8-16-11-10(14-9(3)15-11)12(18)17(7-5-2)13(16)19/h5H,2,4,6-8H2,1,3H3,(H,14,15)"	"QBFREJBHQYIGDW-UHFFFAOYSA-N"	TRUE	FALSE	24	1	2
"81250-17-1"	"DTXSID00230981"	"1H-Purine-2,6-dione, 3,7-dihydro-8-methyl-3-(2-methylpropyl)-1-(2-propenyl)-"	"EPA_DSSTox"	"CC1NC2=C(N=1)N(CC(C)C)C(=O)N(CC=C)C2=O"	"?"	"InChI=1S/C13H18N4O2/c1-5-6-16-12(18)10-11(15-9(4)14-10)17(13(16)19)7-8(2)3/h5,8H,1,6-7H2,2-4H3,(H,14,15)"	"LZKYSPPBMXPEBI-UHFFFAOYSA-N"	TRUE	FALSE	17	1	2
"81265-54-5"	NA	NA	"Public_CrossChecked"	"CC(C(O)=O)C1C=CC(=CC=1)N1C=C2C=CC=CC2=N1"	"?"	"InChI=1S/C16H14N2O2/c1-11(16(19)20)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)17-18/h2-11H,1H3,(H,19,20)"	"JARNVIWZIFANFH-UHFFFAOYSA-N"	FALSE	FALSE	1550	3	4
"813-74-1"	NA	NA	"Public_CrossChecked"	"N#CC(Cl)(Cl)CCl"	"?"	"InChI=1S/C3H2Cl3N/c4-1-3(5,6)2-7/h1H2"	"XMVOGXZDRUZXAP-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"813-84-3"	NA	NA	"Public_CrossChecked"	"COP(=O)(OC)C(O)(C(F)F)C(F)F"	"?"	"InChI=1S/C5H9F4O4P/c1-12-14(11,13-2)5(10,3(6)7)4(8)9/h3-4,10H,1-2H3"	"JIULQIONDXIEHE-UHFFFAOYSA-N"	TRUE	FALSE	9	1	2
"81334-34-1"	"DTXSID8034665"	"Imazapyr"	"EPA_DSSTox"	"CC1(N=C(NC1=O)C1N=CC=CC=1C(O)=O)C(C)C"	"?"	"InChI=1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-7H,1-3H3,(H,17,18)(H,15,16,19)"	"CLQMBPJKHLGMQK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"81335-37-7"	"DTXSID3024152"	"Imazaquin"	"EPA_DSSTox"	"CC1(N=C(NC1=O)C1=NC2C=CC=CC=2C=C1C(O)=O)C(C)C"	"?"	"InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)"	"CABMTIJINOIHOD-UHFFFAOYSA-N"	FALSE	TRUE	4073	3	5
"81335-47-9"	"DTXSID5034274"	"3-Quinolinecarboxylic acid, 2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-, monoammonium salt"	"EPA_DSSTox"	"CC1(N=C(NC1=O)C1=NC2C=CC=CC=2C=C1C(O)=O)C(C)C"	"[NH4+]"	"InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)"	"CABMTIJINOIHOD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"81335-77-5"	"DTXSID3024287"	"Imazethapyr"	"EPA_DSSTox"	"CCC1=CC(C(O)=O)=C(N=C1)C1NC(=O)C(C)(N=1)C(C)C"	"?"	"InChI=1S/C15H19N3O3/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21)"	"XVOKUMIPKHGGTN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"81356-60-7"	"DTXSID1073650"	"N-Cyclopropyl-N'-(2,5-difluorophenyl)urea"	"EPA_DSSTox"	"O=C(NC1CC1)NC1C=C(F)C=CC=1F"	"?"	"InChI=1S/C10H10F2N2O/c11-6-1-4-8(12)9(5-6)14-10(15)13-7-2-3-7/h1,4-5,7H,2-3H2,(H2,13,14,15)"	"YNHCORPJRLQDMA-UHFFFAOYSA-N"	FALSE	FALSE	152	2	3
"814-78-8"	"DTXSID9052557"	"3-Methylbut-3-en-2-one"	"EPA_DSSTox"	"CC(=O)C(C)=C"	"?"	"InChI=1S/C5H8O/c1-4(2)5(3)6/h1H2,2-3H3"	"ZGHFDIIVVIFNPS-UHFFFAOYSA-N"	FALSE	FALSE	180	2	3
"81406-37-3"	"DTXSID5034303"	"Fluroxypyr-meptyl"	"EPA_DSSTox"	"CCCCCCC(C)OC(=O)COC1N=C(F)C(Cl)=C(N)C=1Cl"	"?"	"InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)"	"OLZQTUCTGLHFTQ-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"81486-22-8"	NA	NA	"Public_CrossChecked"	"CC(C)NCC(O)COC1C=CC=C2CC(COC2=1)O[N+]([O-])=O"	"?"	"InChI=1S/C15H22N2O6/c1-10(2)16-7-12(18)8-21-14-5-3-4-11-6-13(23-17(19)20)9-22-15(11)14/h3-5,10,12-13,16,18H,6-9H2,1-2H3"	"OMCPLEZZPVJJIS-UHFFFAOYSA-N"	FALSE	FALSE	1040	3	4
"81510-83-0"	"DTXSID9034230"	"2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-pyridinecarboxylic acid with 2-propanamine (1:1)"	"EPA_DSSTox"	"CC1(N=C(NC1=O)C1N=CC=CC=1C(O)=O)C(C)C"	"C(C)(C)N"	"InChI=1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-7H,1-3H3,(H,17,18)(H,15,16,19)"	"CLQMBPJKHLGMQK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"81529-69-3"	"DTXSID10231181"	"Acetic acid, oxo((4-phenyl-2-thiazolyl)amino)-, 2-methoxyethyl ester"	"EPA_DSSTox"	"COCCOC(=O)C(=O)NC1=NC(=CS1)C1C=CC=CC=1"	"?"	"InChI=1S/C14H14N2O4S/c1-19-7-8-20-13(18)12(17)16-14-15-11(9-21-14)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,16,17)"	"ZSSSUXLAVXQWSM-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"81529-71-7"	"DTXSID30231183"	"Acetic acid, oxo((4-phenyl-2-thiazolyl)amino)-, 2-(2-methoxyethoxy)ethyl ester"	"EPA_DSSTox"	"COCCOCCOC(=O)C(=O)NC1=NC(=CS1)C1=CC=CC=C1"	"?"	"InChI=1S/C16H18N2O5S/c1-21-7-8-22-9-10-23-15(20)14(19)18-16-17-13(11-24-16)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,17,18,19)"	"WWCOCLGHUGETIT-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"816-19-3"	"DTXSID9052559"	"Methyl 2-ethylhexanoate"	"EPA_DSSTox"	"CCCCC(CC)C(=O)OC"	"?"	"InChI=1S/C9H18O2/c1-4-6-7-8(5-2)9(10)11-3/h8H,4-7H2,1-3H3"	"KICUISADAVMYCJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"816-57-9"	"DTXSID0021204"	"N-Propyl-N-nitrosourea"	"EPA_DSSTox"	"CCCN(N=O)C(N)=O"	"?"	"InChI=1S/C4H9N3O2/c1-2-3-7(6-9)4(5)8/h2-3H2,1H3,(H2,5,8)"	"YGGSSUISOYLCBF-UHFFFAOYSA-N"	FALSE	FALSE	480	2	4
"816-80-8"	"DTXSID60231217"	"Phosphorotrithious acid, trimethyl ester"	"EPA_DSSTox"	"CSP(SC)SC"	"?"	"InChI=1S/C3H9PS3/c1-5-4(6-2)7-3/h1-3H3"	"FVTIMWPYAZCZQB-UHFFFAOYSA-N"	FALSE	FALSE	105	2	3
"81695-89-8"	NA	NA	"Public_CrossChecked"	"CNC(=O)C1C=C(C=CC=1O)C(O)CNC(C)(C)CCN1C2C=CC=CC=2C(C)(C)OC1=O"	"CS(=O)(=O)O"	"InChI=1S/C25H33N3O5/c1-24(2,27-15-21(30)16-10-11-20(29)17(14-16)22(31)26-5)12-13-28-19-9-7-6-8-18(19)25(3,4)33-23(28)32/h6-11,14,21,27,29-30H,12-13,15H2,1-5H3,(H,26,31)"	"LCZSKMOVOAKSGM-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"81719-55-3"	NA	NA	"Public_CrossChecked"	"CC=C(C)C(=O)N1CCCC2=CC(C)=CC=C12"	"?"	"InChI=1S/C15H19NO/c1-4-12(3)15(17)16-9-5-6-13-10-11(2)7-8-14(13)16/h4,7-8,10H,5-6,9H2,1-3H3"	"KPPVNWGJXFMGAM-UHFFFAOYSA-N"	FALSE	TRUE	2200	3	5
"81737-62-4"	NA	NA	"Public_CrossChecked"	"OC(CNCC(O)C1COC2C=CC=CC=2O1)C1COC2C=CC=CC=2O1"	"CS(=O)(=O)O"	"InChI=1S/C20H23NO6/c22-13(19-11-24-15-5-1-3-7-17(15)26-19)9-21-10-14(23)20-12-25-16-6-2-4-8-18(16)27-20/h1-8,13-14,19-23H,9-12H2"	"JMVGSDHINNGCAC-UHFFFAOYSA-N"	FALSE	TRUE	4490	3	5
"81777-89-1"	"DTXSID1032355"	"Clomazone"	"EPA_DSSTox"	"CC1(C)CON(CC2C=CC=CC=2Cl)C1=O"	"?"	"InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3"	"KIEDNEWSYUYDSN-UHFFFAOYSA-N"	FALSE	FALSE	1369	3	4
"81840-15-5"	"DTXSID80231411"	"Vesnarinone"	"EPA_DSSTox"	"COC1=CC=C(C=C1OC)C(=O)N1CCN(CC1)C1C=C2CCC(=O)NC2=CC=1"	"?"	"InChI=1S/C22H25N3O4/c1-28-19-7-3-16(14-20(19)29-2)22(27)25-11-9-24(10-12-25)17-5-6-18-15(13-17)4-8-21(26)23-18/h3,5-7,13-14H,4,8-12H2,1-2H3,(H,23,26)"	"ZVNYJIZDIRKMBF-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"81995-79-1"	"DTXSID80231496"	"Theobromine, 1-(3-(4-(3,4-dichlorophenyl)-1-piperazinyl)propyl)-"	"EPA_DSSTox"	"CN1C=NC2=C1C(=O)N(CCCN1CCN(CC1)C1C=CC(Cl)=C(Cl)C=1)C(=O)N2C"	"?"	"InChI=1S/C20H24Cl2N6O2/c1-24-13-23-18-17(24)19(29)28(20(30)25(18)2)7-3-6-26-8-10-27(11-9-26)14-4-5-15(21)16(22)12-14/h4-5,12-13H,3,6-11H2,1-2H3"	"LFNYICHEDVBALH-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"81996-52-3"	"DTXSID00231498"	"Theophylline, 7-(5-(4-(p-chlorophenyl)-1-piperazinyl)pentyl)-, dihydrochloride"	"EPA_DSSTox"	"CN1C(=O)C2=C(N=CN2CCCCCN2CCN(CC2)C2C=CC(Cl)=CC=2)N(C)C1=O"	"Cl.Cl"	"InChI=1S/C22H29ClN6O2/c1-25-20-19(21(30)26(2)22(25)31)29(16-24-20)11-5-3-4-10-27-12-14-28(15-13-27)18-8-6-17(23)7-9-18/h6-9,16H,3-5,10-15H2,1-2H3"	"LEBAQEUZYSEVOG-UHFFFAOYSA-N"	FALSE	FALSE	353	2	4
"82-48-4"	"DTXSID3058876"	"1,8-Anthracenedisulfonic acid, 9,10-dihydro-9,10-dioxo-"	"EPA_DSSTox"	"OS(=O)(=O)C1=CC=CC2=C1C(=O)C1C(=CC=CC=1S(O)(=O)=O)C2=O"	"?"	"InChI=1S/C14H8O8S2/c15-13-7-3-1-5-9(23(17,18)19)11(7)14(16)12-8(13)4-2-6-10(12)24(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22)"	"IJNPIHLZSZCGOC-UHFFFAOYSA-N"	FALSE	FALSE	1870	3	4
"82-57-5"	"DTXSID50231509"	"Visnagin"	"EPA_DSSTox"	"CC1=CC(=O)C2C(OC)=C3C=COC3=CC=2O1"	"?"	"InChI=1S/C13H10O4/c1-7-5-9(14)12-11(17-7)6-10-8(3-4-16-10)13(12)15-2/h3-6H,1-2H3"	"NZVQLVGOZRELTG-UHFFFAOYSA-N"	FALSE	FALSE	832	3	4
"82-66-6"	"DTXSID4032378"	"Diphacinone"	"EPA_DSSTox"	"O=C(C1C(=O)C2=CC=CC=C2C1=O)C(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C23H16O3/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H"	"JYGLAHSAISAEAL-UHFFFAOYSA-N"	TRUE	FALSE	1.5	1	1
"82-68-8"	"DTXSID2021105"	"Pentachloronitrobenzene"	"EPA_DSSTox"	"[O-][N+](=O)C1C(Cl)=C(Cl)C(Cl)=C(Cl)C=1Cl"	"?"	"InChI=1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9"	"LKPLKUMXSAEKID-UHFFFAOYSA-N"	FALSE	FALSE	1100	3	4
"82-82-6"	NA	NA	"Public_CrossChecked"	"CC1=NC=C(CO)C(C(O)=O)=C1O"	"?"	"InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)"	"HXACOUQIXZGNBF-UHFFFAOYSA-N"	FALSE	TRUE	7500	4	5
"82018-90-4"	"DTXSID3021011"	"N-Nitroso(2,2,2-trifluoroethyl) ethylamine"	"EPA_DSSTox"	"CCN(CC(F)(F)F)N=O"	"?"	"InChI=1S/C4H7F3N2O/c1-2-9(8-10)3-4(5,6)7/h2-3H2,1H3"	"FCYWOYUDCUKTJC-UHFFFAOYSA-N"	FALSE	FALSE	960	3	4
"82097-50-5"	"DTXSID0024345"	"Triasulfuron"	"EPA_DSSTox"	"CC1N=C(NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl)N=C(N=1)OC"	"?"	"InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)"	"XOPFESVZMSQIKC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"821-06-7"	"DTXSID8024941"	"(E)-1,4-Dibromo-2-butene"	"EPA_DSSTox"	"BrCC=CCBr"	"?"	"InChI=1S/C4H6Br2/c5-3-1-2-4-6/h1-2H,3-4H2"	"RMXLHIUHKIVPAB-UHFFFAOYSA-N"	FALSE	FALSE	62	2	3
"821-55-6"	"DTXSID2022125"	"2-Nonanone"	"EPA_DSSTox"	"CCCCCCCC(C)=O"	"?"	"InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3"	"VKCYHJWLYTUGCC-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"821-57-8"	"DTXSID50231564"	"Heptanoic acid, 7-chloro-"	"EPA_DSSTox"	"OC(=O)CCCCCCCl"	"?"	"InChI=1S/C7H13ClO2/c8-6-4-2-1-3-5-7(9)10/h1-6H2,(H,9,10)"	"IGNBKLCFKTYIRI-UHFFFAOYSA-N"	FALSE	FALSE	1800	3	4
"82159-09-9"	"DTXSID1046479"	"Epalrestat"	"EPA_DSSTox"	"CC(=CC1C=CC=CC=1)C=C1SC(=S)N(CC(O)=O)C1=O"	"?"	"InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)"	"CHNUOJQWGUIOLD-UHFFFAOYSA-N"	TRUE	FALSE	5.3	1	2
"82163-55-1"	"DTXSID50231600"	"EG 1088"	"EPA_DSSTox"	"CCOC(=O)C1=C(C)C=C2N=C(COC(=O)NC)N(C(=O)C2=C1C)C1=CC=CC=C1Cl"	"?"	"InChI=1S/C22H22ClN3O5/c1-5-30-21(28)18-12(2)10-15-19(13(18)3)20(27)26(16-9-7-6-8-14(16)23)17(25-15)11-31-22(29)24-4/h6-10H,5,11H2,1-4H3,(H,24,29)"	"NUVXJFLCRWIOHW-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"82199-12-0"	"DTXSID90868651"	"Butanamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[2-(2-methoxyphenyl)diazenyl]-3-oxo-"	"EPA_DSSTox"	"CC(=O)C(N=NC1C=CC=CC=1OC)C(=O)NC1C=C2NC(=O)NC2=CC=1"	"?"	"InChI=1S/C18H17N5O4/c1-10(24)16(23-22-13-5-3-4-6-15(13)27-2)17(25)19-11-7-8-12-14(9-11)21-18(26)20-12/h3-9,16H,1-2H3,(H,19,25)(H2,20,21,26)"	"BWCSCOGVOJAQRL-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"822-06-0"	"DTXSID4024143"	"1,6-Diisocyanatohexane"	"EPA_DSSTox"	"O=C=NCCCCCCN=C=O"	"?"	"InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2"	"RRAMGCGOFNQTLD-UHFFFAOYSA-N"	FALSE	FALSE	738	3	4
"822-36-6"	"DTXSID9025617"	"4-Methylimidazole"	"EPA_DSSTox"	"CC1=CNC=N1"	"?"	"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)"	"XLSZMDLNRCVEIJ-UHFFFAOYSA-N"	FALSE	FALSE	751	3	4
"822-48-0"	"DTXSID80231618"	"Oxetane, 3-(chloromethyl)-3-methyl-"	"EPA_DSSTox"	"CC1(CCl)COC1"	"?"	"InChI=1S/C5H9ClO/c1-5(2-6)3-7-4-5/h2-4H2,1H3"	"MCZYEFODKAZWIH-UHFFFAOYSA-N"	FALSE	FALSE	1120	3	4
"82203-23-4"	NA	NA	"Public_CrossChecked"	"CC1(OC(OC2COC(OC12)C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1)C(O)CO"	"?"	"InChI=1S/C21H22Cl2O6/c1-21(17(25)10-24)18-16(27-20(29-21)13-4-8-15(23)9-5-13)11-26-19(28-18)12-2-6-14(22)7-3-12/h2-9,16-20,24-25H,10-11H2,1H3"	"YULFFYZCWUUTNC-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"82211-24-3"	"DTXSID0058192"	"Inabenfide"	"EPA_DSSTox"	"OC(C1=CC(Cl)=CC=C1NC(=O)C1C=CN=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C19H15ClN2O2/c20-15-6-7-17(22-19(24)14-8-10-21-11-9-14)16(12-15)18(23)13-4-2-1-3-5-13/h1-12,18,23H,(H,22,24)"	"PFDCOZXELJAUTR-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"82230-53-3"	"DTXSID70231642"	"Girisopam"	"EPA_DSSTox"	"CC1CC2=CC(OC)=C(C=C2C(=NN=1)C1=CC(Cl)=CC=C1)OC"	"?"	"InChI=1S/C18H17ClN2O2/c1-11-7-13-9-16(22-2)17(23-3)10-15(13)18(21-20-11)12-5-4-6-14(19)8-12/h4-6,8-10H,7H2,1-3H3"	"VQYLGVVODFDFNK-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"82273-25-4"	"DTXSID20231657"	"2-Guaiacolethanol acetylsalicylate"	"EPA_DSSTox"	"CC(=O)OC1=CC=CC=C1C(=O)OCCOC1=CC=CC=C1OC"	"?"	"InChI=1S/C18H18O6/c1-13(19)24-15-8-4-3-7-14(15)18(20)23-12-11-22-17-10-6-5-9-16(17)21-2/h3-10H,11-12H2,1-2H3"	"FEFLVJLFTWFCOV-UHFFFAOYSA-N"	FALSE	TRUE	2934	3	5
"823-40-5"	"DTXSID4027319"	"2,6-Toluenediamine"	"EPA_DSSTox"	"CC1C(N)=CC=CC=1N"	"?"	"InChI=1S/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4H,8-9H2,1H3"	"RLYCRLGLCUXUPO-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"824-11-3"	"DTXSID10871809"	"2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane, 4-ethyl-"	"EPA_DSSTox"	"CCC12COP(OC1)OC2"	"?"	"InChI=1S/C6H11O3P/c1-2-6-3-7-10(8-4-6)9-5-6/h2-5H2,1H3"	"QRUSNTDXJQBKBI-UHFFFAOYSA-N"	TRUE	FALSE	8.39	1	2
"82413-20-5"	"DTXSID9022441"	"Droloxifene"	"EPA_DSSTox"	"CCC(=C(C1=CC(O)=CC=C1)C1C=CC(=CC=1)OCCN(C)C)C1C=CC=CC=1"	"?"	"InChI=1S/C26H29NO2/c1-4-25(20-9-6-5-7-10-20)26(22-11-8-12-23(28)19-22)21-13-15-24(16-14-21)29-18-17-27(2)3/h5-16,19,28H,4,17-18H2,1-3H3"	"ZQZFYGIXNQKOAV-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"82419-36-1"	"DTXSID3041085"	"Ofloxacin"	"EPA_DSSTox"	"CN1CCN(CC1)C1=C(F)C=C2C3=C1OCC(C)N3C=C(C(O)=O)C2=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"	FALSE	TRUE	3590	3	5
"825-51-4"	"DTXSID10862434"	"2-Naphthalenol, decahydro-"	"EPA_DSSTox"	"OC1CC2CCCCC2CC1"	"?"	"InChI=1S/C10H18O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-11H,1-7H2"	"UPMAOXLCTXPPAG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"82508-32-5"	NA	NA	"Public_CrossChecked"	"CC1(C=CC=C(C)C(O)=O)OC(=O)C23CCC1C2(CCC(C)=CC3)OC(C)=O"	"?"	"InChI=1S/C22H28O6/c1-14-7-11-21-12-9-17(22(21,13-8-14)27-16(3)23)20(4,28-19(21)26)10-5-6-15(2)18(24)25/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,24,25)"	"GOHMRMDXUXWCDQ-UHFFFAOYSA-N"	FALSE	FALSE	219	2	3
"82558-50-7"	"DTXSID8024159"	"Isoxaben"	"EPA_DSSTox"	"COC1C=CC=C(OC)C=1C(=O)NC1=CC(=NO1)C(C)(CC)CC"	"?"	"InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)"	"PMHURSZHKKJGBM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"82559-96-4"	"DTXSID0073663"	"Benzamide, N-[6-(1-ethyl-1-methylpropyl)-3-pyridazinyl]-2,6-dimethoxy-"	"EPA_DSSTox"	"COC1=CC=CC(OC)=C1C(=O)NC1=CC=C(N=N1)C(C)(CC)CC"	"?"	"InChI=1S/C19H25N3O3/c1-6-19(3,7-2)15-11-12-16(22-21-15)20-18(23)17-13(24-4)9-8-10-14(17)25-5/h8-12H,6-7H2,1-5H3,(H,20,22,23)"	"IIXVAGMYWDRAHB-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"82560-06-3"	"DTXSID5073664"	"5-Isoxazolamine, 3-(1-ethyl-1-methylpropyl)-"	"EPA_DSSTox"	"CC(CC)(CC)C1C=C(N)ON=1"	"?"	"InChI=1S/C9H16N2O/c1-4-9(3,5-2)7-6-8(10)12-11-7/h6H,4-5,10H2,1-3H3"	"DFDAEJDUOXMUQR-UHFFFAOYSA-N"	FALSE	FALSE	144	2	3
"82560-54-1"	"DTXSID2041622"	"Benfuracarb"	"EPA_DSSTox"	"CN(SN(CCC(=O)OCC)C(C)C)C(=O)OC1C=CC=C2CC(C)(C)OC=12"	"?"	"InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3"	"FYZBOYWSHKHDMT-UHFFFAOYSA-N"	FALSE	FALSE	105	2	3
"82578-51-6"	"DTXSID10231888"	"Benzoic acid, 2-((4-hydroxy-3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl ester"	"EPA_DSSTox"	"OC1C=CC(=CC=1C(F)(F)F)NC1=CC=CC=C1C(=O)OCCOCCO"	"?"	"InChI=1S/C18H18F3NO5/c19-18(20,21)14-11-12(5-6-16(14)24)22-15-4-2-1-3-13(15)17(25)27-10-9-26-8-7-23/h1-6,11,22-24H,7-10H2"	"NVFSLOJEQRYMFK-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"82586-52-5"	"DTXSID7044267"	"Moexipril hydrochloride"	"EPA_DSSTox"	"CC(NC(CCC1C=CC=CC=1)C(=O)OCC)C(=O)N1CC2=CC(OC)=C(C=C2CC1C(O)=O)OC"	"Cl"	"InChI=1S/C27H34N2O7/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-16-20-15-24(35-4)23(34-3)14-19(20)13-22(29)26(31)32/h6-10,14-15,17,21-22,28H,5,11-13,16H2,1-4H3,(H,31,32)"	"UWWDHYUMIORJTA-UHFFFAOYSA-N"	FALSE	TRUE	4015	3	5
"82586-55-8"	"DTXSID3021221"	"Quinapril hydrochloride"	"EPA_DSSTox"	"CC(NC(CCC1C=CC=CC=1)C(=O)OCC)C(=O)N1CC2C=CC=CC=2CC1C(O)=O"	"Cl"	"InChI=1S/C25H30N2O5/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30)"	"JSDRRTOADPPCHY-UHFFFAOYSA-N"	FALSE	TRUE	3541	3	5
"826-36-8"	"DTXSID4041527"	"2,2,6,6-Tetramethyl-4-piperidone"	"EPA_DSSTox"	"CC1(C)CC(=O)CC(C)(C)N1"	"?"	"InChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3"	"JWUXJYZVKZKLTJ-UHFFFAOYSA-N"	FALSE	FALSE	1330	3	4
"826-54-0"	"DTXSID30231906"	"Hydratropamide, alpha-methyl-"	"EPA_DSSTox"	"CC(C)(C(N)=O)C1C=CC=CC=1"	"?"	"InChI=1S/C10H13NO/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,11,12)"	"VKLQYTLWERZJEP-UHFFFAOYSA-N"	FALSE	FALSE	1650	3	4
"82657-04-3"	"DTXSID9020160"	"Bifenthrin"	"EPA_DSSTox"	"CC1(C)C(C1C=C(Cl)C(F)(F)F)C(=O)OCC1C=CC=C(C2C=CC=CC=2)C=1C"	"?"	"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"	"OMFRMAHOUUJSGP-UHFFFAOYSA-N"	FALSE	FALSE	54.5	2	3
"82664-20-8"	NA	NA	"Public_CrossChecked"	"COC1(C)CC(OC2C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)(F)CC(C)(O)C(OC3OC(C)CC(C3O)N(C)C)C2C)OC(C)C1O"	"?"	"InChI=1S/C37H66FNO13/c1-14-24-37(10,46)29(42)21(5)28(41)34(7,38)17-35(8,45)31(52-33-26(40)23(39(11)12)15-18(2)48-33)19(3)27(20(4)32(44)50-24)51-25-16-36(9,47-13)30(43)22(6)49-25/h18-27,29-31,33,40,42-43,45-46H,14-17H2,1-13H3"	"XOEUHCONYHZURQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"82697-74-3"	NA	NA	"Public_CrossChecked"	"CC1SC(NC1=O)C1C=CC=CC=1OC"	"?"	"InChI=1S/C11H13NO2S/c1-7-10(13)12-11(15-7)8-5-3-4-6-9(8)14-2/h3-7,11H,1-2H3,(H,12,13)"	"ONARVZUZXPSUJA-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"82697-75-4"	NA	NA	"Public_CrossChecked"	"CC1SC(NC1=O)C1C=CC(=CC=1)OC"	"?"	"InChI=1S/C11H13NO2S/c1-7-10(13)12-11(15-7)8-3-5-9(14-2)6-4-8/h3-7,11H,1-2H3,(H,12,13)"	"UTVSNADZGAVXTJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"82697-76-5"	NA	NA	"Public_CrossChecked"	"COC1C=C(C=C(OC)C=1OC)C1NC(=O)CCS1"	"?"	"InChI=1S/C13H17NO4S/c1-16-9-6-8(7-10(17-2)12(9)18-3)13-14-11(15)4-5-19-13/h6-7,13H,4-5H2,1-3H3,(H,14,15)"	"RNZPUDNTBZUVDK-UHFFFAOYSA-N"	FALSE	TRUE	5400	4	5
"82697-77-6"	NA	NA	"Public_CrossChecked"	"COC1C=CC(=CC=1OC)C1NC(=O)CCS1"	"?"	"InChI=1S/C12H15NO3S/c1-15-9-4-3-8(7-10(9)16-2)12-13-11(14)5-6-17-12/h3-4,7,12H,5-6H2,1-2H3,(H,13,14)"	"HQOIEHGBVFDGJI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"82697-79-8"	NA	NA	"Public_CrossChecked"	"COC1C=CC(=CC=1)C1NC(=O)CCS1"	"?"	"InChI=1S/C11H13NO2S/c1-14-9-4-2-8(3-5-9)11-12-10(13)6-7-15-11/h2-5,11H,6-7H2,1H3,(H,12,13)"	"UFWDSXPIWNBPAI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"828-00-2"	"DTXSID6020480"	"Dimethoxane"	"EPA_DSSTox"	"CC1OC(CC(C)O1)OC(C)=O"	"?"	"InChI=1S/C8H14O4/c1-5-4-8(11-6(2)9)12-7(3)10-5/h5,7-8H,4H2,1-3H3"	"PHMNXPYGVPEQSJ-UHFFFAOYSA-N"	FALSE	FALSE	1930	3	4
"82822-14-8"	NA	NA	"Public_CrossChecked"	"O=C1NCCCN1CN1CCOCC1"	"?"	"InChI=1S/C9H17N3O2/c13-9-10-2-1-3-12(9)8-11-4-6-14-7-5-11/h1-8H2,(H,10,13)"	"ZSWVOFMSMUXCLY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"82834-16-0"	"DTXSID6023440"	"Perindopril"	"EPA_DSSTox"	"CC(NC(CCC)C(=O)OCC)C(=O)N1C2CCCCC2CC1C(O)=O"	"?"	"InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)"	"IPVQLZZIHOAWMC-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"82875-36-3"	"DTXSID80232044"	"5-Thiazolecarboxamide, N,4-dimethyl-2-(3,4,5-trimethoxyphenyl)-"	"EPA_DSSTox"	"CC1N=C(SC=1C(=O)NC)C1=CC(OC)=C(OC)C(=C1)OC"	"?"	"InChI=1S/C15H18N2O4S/c1-8-13(14(18)16-2)22-15(17-8)9-6-10(19-3)12(21-5)11(7-9)20-4/h6-7H,1-5H3,(H,16,18)"	"KJCOCIRKXVZOFV-UHFFFAOYSA-N"	FALSE	TRUE	5200	4	5
"82875-37-4"	"DTXSID40232045"	"5-Thiazolecarboxamide, 4-methyl-N-propyl-2-(3,4,5-trimethoxyphenyl)-"	"EPA_DSSTox"	"CC1N=C(SC=1C(=O)NCCC)C1=CC(OC)=C(OC)C(=C1)OC"	"?"	"InChI=1S/C17H22N2O4S/c1-6-7-18-16(20)15-10(2)19-17(24-15)11-8-12(21-3)14(23-5)13(9-11)22-4/h8-9H,6-7H2,1-5H3,(H,18,20)"	"QCDDOTXBQFZCPU-UHFFFAOYSA-N"	FALSE	TRUE	5600	4	5
"82875-38-5"	"DTXSID00232046"	"5-Thiazolecarboxamide, 4-methyl-2-(3,4-dimethoxyphenyl)-"	"EPA_DSSTox"	"CC1N=C(SC=1C(N)=O)C1C=C(OC)C(=CC=1)OC"	"?"	"InChI=1S/C13H14N2O3S/c1-7-11(12(14)16)19-13(15-7)8-4-5-9(17-2)10(6-8)18-3/h4-6H,1-3H3,(H2,14,16)"	"KUUQMVAMUVEWCA-UHFFFAOYSA-N"	FALSE	TRUE	6200	4	5
"82875-39-6"	"DTXSID60232047"	"5-Thiazolecarboxamide, 2-(3,4-dimethoxyphenyl)-N,4-dimethyl-"	"EPA_DSSTox"	"CC1N=C(SC=1C(=O)NC)C1C=C(OC)C(=CC=1)OC"	"?"	"InChI=1S/C14H16N2O3S/c1-8-12(13(17)15-2)20-14(16-8)9-5-6-10(18-3)11(7-9)19-4/h5-7H,1-4H3,(H,15,17)"	"QNIHAJJHPNMVJY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"82875-41-0"	"DTXSID80232049"	"5-Thiazolecarboxamide, 2-(2-methoxyphenyl)-4-methyl-"	"EPA_DSSTox"	"CC1N=C(SC=1C(N)=O)C1=CC=CC=C1OC"	"?"	"InChI=1S/C12H12N2O2S/c1-7-10(11(13)15)17-12(14-7)8-5-3-4-6-9(8)16-2/h3-6H,1-2H3,(H2,13,15)"	"ODXUWYRAHXUBLC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"82875-42-1"	"DTXSID90232050"	"5-Thiazolecarboxamide, N,4-dimethyl-2-(2-methoxyphenyl)-"	"EPA_DSSTox"	"CC1N=C(SC=1C(=O)NC)C1=CC=CC=C1OC"	"?"	"InChI=1S/C13H14N2O2S/c1-8-11(12(16)14-2)18-13(15-8)9-6-4-5-7-10(9)17-3/h4-7H,1-3H3,(H,14,16)"	"RWQUXMQQPCENOI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"82875-43-2"	"DTXSID50232051"	"5-Thiazolecarboxamide, 2-(2-methoxyphenyl)-4-methyl-N-propyl-"	"EPA_DSSTox"	"CC1N=C(SC=1C(=O)NCCC)C1=CC=CC=C1OC"	"?"	"InChI=1S/C15H18N2O2S/c1-4-9-16-14(18)13-10(2)17-15(20-13)11-7-5-6-8-12(11)19-3/h5-8H,4,9H2,1-3H3,(H,16,18)"	"UKEXUOFKPZTJSJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"82875-45-4"	"DTXSID70232053"	"5-Thiazolecarboxamide, N,4-dimethyl-2-(4-methoxyphenyl)-"	"EPA_DSSTox"	"CC1N=C(SC=1C(=O)NC)C1C=CC(=CC=1)OC"	"?"	"InChI=1S/C13H14N2O2S/c1-8-11(12(16)14-2)18-13(15-8)9-4-6-10(17-3)7-5-9/h4-7H,1-3H3,(H,14,16)"	"GPLLJBLZFRBIEX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"82875-46-5"	"DTXSID30232054"	"5-Thiazolecarboxamide, 2-(4-methoxyphenyl)-4-methyl-N-propyl-"	"EPA_DSSTox"	"CC1N=C(SC=1C(=O)NCCC)C1C=CC(=CC=1)OC"	"?"	"InChI=1S/C15H18N2O2S/c1-4-9-16-14(18)13-10(2)17-15(20-13)11-5-7-12(19-3)8-6-11/h5-8H,4,9H2,1-3H3,(H,16,18)"	"VJMMBMXIGQXGOG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"82956-11-4"	"DTXSID7046128"	"Nafamostat mesylate"	"EPA_DSSTox"	"[H]/N=C(\N)/NC1C=CC(=CC=1)C(=O)OC1=CC2=CC=C(C=C2C=C1)/C(/N)=N/[H]"	"S(=O)(O)(=O)C"	"InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)"	"MQQNFDZXWVTQEH-UHFFFAOYSA-N"	FALSE	TRUE	3050	3	5
"82989-25-1"	"DTXSID6048626"	"Tazanolast"	"EPA_DSSTox"	"CCCCOC(=O)C(=O)NC1C=C(C=CC=1)C1NN=NN=1"	"?"	"InChI=1S/C13H15N5O3/c1-2-3-7-21-13(20)12(19)14-10-6-4-5-9(8-10)11-15-17-18-16-11/h4-6,8H,2-3,7H2,1H3,(H,14,19)(H,15,16,17,18)"	"XQTARQNQIVVBRX-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"83-05-6"	"DTXSID3040699"	"p,p'-DDA"	"EPA_DSSTox"	"OC(=O)C(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1"	"?"	"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"	FALSE	FALSE	740	3	4
"83-07-8"	"DTXSID8048860"	"Ampyrone"	"EPA_DSSTox"	"CN1C(C)=C(N)C(=O)N1C1C=CC=CC=1"	"?"	"InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3"	"RLFWWDJHLFCNIJ-UHFFFAOYSA-N"	FALSE	FALSE	1700	3	4
"83-12-5"	"DTXSID5023453"	"Phenindione"	"EPA_DSSTox"	"O=C1C(C2C=CC=CC=2)C(=O)C2=CC=CC=C12"	"?"	"InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H"	"NFBAXHOPROOJAW-UHFFFAOYSA-N"	FALSE	FALSE	163	2	3
"83-26-1"	"DTXSID1025930"	"Pindone"	"EPA_DSSTox"	"CC(C)(C)C(=O)C1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C14H14O3/c1-14(2,3)13(17)10-11(15)8-6-4-5-7-9(8)12(10)16/h4-7,10H,1-3H3"	"RZKYEQDPDZUERB-UHFFFAOYSA-N"	TRUE	FALSE	10.3	1	2
"83-34-1"	"DTXSID8021775"	"3-Methylindole"	"EPA_DSSTox"	"CC1=CNC2C=CC=CC=21"	"?"	"InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3"	"ZFRKQXVRDFCRJG-UHFFFAOYSA-N"	FALSE	TRUE	3450	3	5
"83-40-9"	"DTXSID9038686"	"2-Hydroxy-3-methylbenzoic acid"	"EPA_DSSTox"	"CC1=CC=CC(C(O)=O)=C1O"	"?"	"InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11)"	"WHSXTWFYRGOBGO-UHFFFAOYSA-N"	FALSE	FALSE	445	2	4
"83-42-1"	"DTXSID1041263"	"1-Chloro-2-methyl-3-nitrobenzene"	"EPA_DSSTox"	"CC1C(Cl)=CC=CC=1[N+]([O-])=O"	"?"	"InChI=1S/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3"	"XCSNRORTQRKCHB-UHFFFAOYSA-N"	FALSE	TRUE	2320	3	5
"83-43-2"	"DTXSID7023300"	"Methylprednisolone"	"EPA_DSSTox"	"CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)CO)C2(C)C=CC(=O)C=C21"	"?"	"InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3"	"VHRSUDSXCMQTMA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"83-67-0"	"DTXSID9026132"	"Theobromine"	"EPA_DSSTox"	"CN1C2N=CN(C)C=2C(=O)NC1=O"	"?"	"InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)"	"YAPQBXQYLJRXSA-UHFFFAOYSA-N"	FALSE	FALSE	950	3	4
"83-79-4"	"DTXSID6021248"	"Rotenone"	"EPA_DSSTox"	"CC(=C)C1CC2C(=CC=C3C(=O)C4C(COC5C=C(OC)C(=CC=54)OC)OC=23)O1"	"?"	"InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3"	"JUVIOZPCNVVQFO-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"83-88-5"	"DTXSID8021777"	"Riboflavin"	"EPA_DSSTox"	"CC1=CC2=C(C=C1C)N=C1C(=NC(=O)NC1=O)N2CC(O)C(O)C(O)CO"	"?"	"InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)"	"AUNGANRZJHBGPY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"83003-97-8"	"DTXSID40232121"	"Acetamide, N-(2-(trifluoromethyl)-5-benzimidazolyl)-"	"EPA_DSSTox"	"CC(=O)NC1C=C2NC(=NC2=CC=1)C(F)(F)F"	"?"	"InChI=1S/C10H8F3N3O/c1-5(17)14-6-2-3-7-8(4-6)16-9(15-7)10(11,12)13/h2-4H,1H3,(H,14,17)(H,15,16)"	"DXLUUMMINGDWEA-UHFFFAOYSA-N"	TRUE	FALSE	23.764	1	2
"830322-14-0"	"DTXSID50889100"	"Cyclohexanol, 4-(3-methylbutyl)-"	"EPA_DSSTox"	"CC(C)CCC1CCC(O)CC1"	"?"	"InChI=1S/C11H22O/c1-9(2)3-4-10-5-7-11(12)8-6-10/h9-12H,3-8H2,1-2H3"	"QNRGJHPSMHZLCY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"83105-70-8"	"DTXSID9048641"	"Sultamicillin tosylate"	"EPA_DSSTox"	"CC1(C)SC2C(NC(=O)C(N)C3C=CC=CC=3)C(=O)N2C1C(=O)OCOC(=O)C1N2C(CC2=O)S(=O)(=O)C1(C)C"	"C1(=CC=C(C)C=C1)S(O)(=O)=O"	"InChI=1S/C25H30N4O9S2/c1-24(2)17(29-20(32)16(21(29)39-24)27-19(31)15(26)12-8-6-5-7-9-12)22(33)37-11-38-23(34)18-25(3,4)40(35,36)14-10-13(30)28(14)18/h5-9,14-18,21H,10-11,26H2,1-4H3,(H,27,31)"	"OPYGFNJSCUDTBT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"83121-18-0"	"DTXSID6042440"	"Teflubenzuron"	"EPA_DSSTox"	"O=C(NC1C=C(Cl)C(F)=C(Cl)C=1F)NC(=O)C1C(F)=CC=CC=1F"	"?"	"InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)"	"CJDWRQLODFKPEL-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"83145-58-8"	NA	NA	"Public_CrossChecked"	"CC(=O)OC(CCC(O)=O)C=C"	"?"	"InChI=1S/C8H12O4/c1-3-7(12-6(2)9)4-5-8(10)11/h3,7H,1,4-5H2,2H3,(H,10,11)"	"OGLBQMIRAQXHHD-UHFFFAOYSA-N"	FALSE	FALSE	543	3	4
"83161-22-2"	NA	NA	"Public_CrossChecked"	"CC1OC(OCCCCC)C(O)C(O)C1O"	"?"	"InChI=1S/C11H22O5/c1-3-4-5-6-15-11-10(14)9(13)8(12)7(2)16-11/h7-14H,3-6H2,1-2H3"	"MXMLDYZVUZXDAF-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"83164-33-4"	"DTXSID4041494"	"Diflufenican"	"EPA_DSSTox"	"O=C(NC1=CC=C(F)C=C1F)C1C=CC=NC=1OC1=CC(=CC=C1)C(F)(F)F"	"?"	"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"	FALSE	TRUE	NA	4	5
"832088-68-3"	NA	NA	"Public_CrossChecked"	"CC(C)(C1C=CC(=CC=1)C#CCCN1CCC(CC1)C(O)(C1C=CC=CC=1)C1C=CC=CC=1)C(O)=O"	"?"	"InChI=1S/C32H35NO3/c1-31(2,30(34)35)26-18-16-25(17-19-26)11-9-10-22-33-23-20-29(21-24-33)32(36,27-12-5-3-6-13-27)28-14-7-4-8-15-28/h3-8,12-19,29,36H,10,20-24H2,1-2H3,(H,34,35)"	"LNQJRLLXDQRHIW-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"833-50-1"	"DTXSID2061199"	"Benzoxazole, 2-phenyl-"	"EPA_DSSTox"	"C1=CC=CC=C1C1=NC2=CC=CC=C2O1"	"?"	"InChI=1S/C13H9NO/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H"	"FIISKTXZUZBTRC-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"83335-32-4"	"DTXSID6020987"	"N-Nitroso-bis-(4,4,4-trifluoro-N-butyl)amine"	"EPA_DSSTox"	"O=NN(CCCC(F)(F)F)CCCC(F)(F)F"	"?"	"InChI=1S/C8H12F6N2O/c9-7(10,11)3-1-5-16(15-17)6-2-4-8(12,13)14/h1-6H2"	"USZDDJLVNDSPSY-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"83373-31-3"	NA	NA	"Public_CrossChecked"	"CC(C)(C)C1=CC=C(C=C1)OC(=O)C1CCC(CN=C(N)N)CC1"	"Cl"	"InChI=1S/C19H29N3O2/c1-19(2,3)15-8-10-16(11-9-15)24-17(23)14-6-4-13(5-7-14)12-22-18(20)21/h8-11,13-14H,4-7,12H2,1-3H3,(H4,20,21,22)"	"HXLJIJAWKVNQNT-UHFFFAOYSA-N"	TRUE	FALSE	NA	1	2
"83395-30-6"	"DTXSID70232311"	"Carbamic acid, (7-(3,6-dihydro-1(2H)-pyridinyl)-2-oxo-2H-(1,2,4)oxadiazolo(2,3-c)pyrimidin-5-yl)-, propyl ester"	"EPA_DSSTox"	"CCCOC(=O)NC1=NC(=CC2=NC(=O)ON12)N1CCC=CC1"	"?"	"InChI=1S/C14H17N5O4/c1-2-8-22-13(20)17-12-15-10(18-6-4-3-5-7-18)9-11-16-14(21)23-19(11)12/h3-4,9H,2,5-8H2,1H3,(H,15,17,20)"	"XIYGRWCMWJGFRF-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"83395-31-7"	"DTXSID30232312"	"Carbamic acid, (7-(3,6-dihydro-1(2H)-pyridinyl)-2-oxo-2H-(1,2,4)oxadiazolo(2,3-c)pyrimidin-5-yl)-, 1-methylethyl ester"	"EPA_DSSTox"	"CC(C)OC(=O)NC1=NC(=CC2=NC(=O)ON21)N1CC=CCC1"	"?"	"InChI=1S/C14H17N5O4/c1-9(2)22-13(20)17-12-15-10(18-6-4-3-5-7-18)8-11-16-14(21)23-19(11)12/h3-4,8-9H,5-7H2,1-2H3,(H,15,17,20)"	"QYKSEIPIULBWJT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"83395-32-8"	"DTXSID90232313"	"Carbamic acid, (7-(3,6-dihydro-1(2H)-pyridinyl)-2-oxo-2H-(1,2,4)oxadiazolo(2,3-c)pyrimidin-5-yl)-, 2-propynyl ester"	"EPA_DSSTox"	"C#CCOC(=O)NC1=NC(=CC2=NC(=O)ON21)N1CC=CCC1"	"?"	"InChI=1S/C14H13N5O4/c1-2-8-22-13(20)17-12-15-10(18-6-4-3-5-7-18)9-11-16-14(21)23-19(11)12/h1,3-4,9H,5-8H2,(H,15,17,20)"	"QYTIRWVZIPCHQB-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"83395-33-9"	"DTXSID50232314"	"Carbamic acid, (7-(3,6-dihydro-1(2H)-pyridinyl)-2-oxo-2H-(1,2,4)oxadiazolo(2,3-c)pyrimidin-5-yl)-, 2-propenyl ester"	"EPA_DSSTox"	"C=CCOC(=O)NC1=NC(=CC2=NC(=O)ON21)N1CC=CCC1"	"?"	"InChI=1S/C14H15N5O4/c1-2-8-22-13(20)17-12-15-10(18-6-4-3-5-7-18)9-11-16-14(21)23-19(11)12/h2-4,9H,1,5-8H2,(H,15,17,20)"	"QLESDPZBHLIKTQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"834-12-8"	"DTXSID1023869"	"Ametryn"	"EPA_DSSTox"	"CCNC1N=C(NC(C)C)N=C(N=1)SC"	"?"	"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"	FALSE	FALSE	1060	3	4
"834-28-6"	"DTXSID0021121"	"Phenformin hydrochloride"	"EPA_DSSTox"	"[H]/N=C(\N/C(/N)=N/[H])/NCCC1C=CC=CC=1"	"Cl"	"InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)"	"ICFJFFQQTFMIBG-UHFFFAOYSA-N"	FALSE	FALSE	938	3	4
"83435-67-0"	"DTXSID6048597"	"Delapril hydrochloride"	"EPA_DSSTox"	"CC(NC(CCC1C=CC=CC=1)C(=O)OCC)C(=O)N(CC(O)=O)C1CC2C=CC=CC=2C1"	"Cl"	"InChI=1S/C26H32N2O5/c1-3-33-26(32)23(14-13-19-9-5-4-6-10-19)27-18(2)25(31)28(17-24(29)30)22-15-20-11-7-8-12-21(20)16-22/h4-12,18,22-23,27H,3,13-17H2,1-2H3,(H,29,30)"	"WOUOLAUOZXOLJQ-UHFFFAOYSA-N"	FALSE	TRUE	8260	4	5
"83447-96-5"	NA	NA	"Public_CrossChecked"	"ICC1CCC(CC1)CI"	"?"	"InChI=1S/C8H14I2/c9-5-7-1-2-8(6-10)4-3-7/h7-8H,1-6H2"	"CADHELUGADNHSF-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"83480-29-9"	"DTXSID2021442"	"Voglibose"	"EPA_DSSTox"	"OCC1(O)CC(NC(CO)CO)C(O)C(O)C1O"	"?"	"InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2"	"FZNCGRZWXLXZSZ-UHFFFAOYSA-N"	FALSE	TRUE	20000	4	5
"83519-04-4"	"DTXSID2049008"	"Ilmofosine"	"EPA_DSSTox"	"COCC(COP(O)(=O)OCC[N+](C)(C)C)CSCCCCCCCCCCCCCCCC"	"?"	"InChI=1S/C26H56NO5PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-34-25-26(23-30-5)24-32-33(28,29)31-21-20-27(2,3)4/h26H,6-25H2,1-5H3/p+1"	"ODEDPKNSRBCSDO-UHFFFAOYSA-O"	FALSE	FALSE	253	2	3
"83656-29-5"	NA	NA	"Public_CrossChecked"	"CC(C)OC1=CC=CC(=C1)C1CC(=O)NC1=O"	"?"	"InChI=1S/C13H15NO3/c1-8(2)17-10-5-3-4-9(6-10)11-7-12(15)14-13(11)16/h3-6,8,11H,7H2,1-2H3,(H,14,15,16)"	"XKCUOVLFNVLRTK-UHFFFAOYSA-N"	FALSE	TRUE	2400	3	5
"83657-17-4"	"DTXSID3035002"	"Uniconazole-P"	"EPA_DSSTox"	"CC(C)(C)C(O)C(=CC1C=CC(Cl)=CC=1)N1C=NC=N1"	"?"	"InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3"	"YNWVFADWVLCOPU-UHFFFAOYSA-N"	FALSE	FALSE	430	2	4
"83657-18-5"	"DTXSID2034548"	"Diniconazole-M"	"EPA_DSSTox"	"CC(C)(C)C(O)C(=CC1C=CC(Cl)=CC=1Cl)N1C=NC=N1"	"?"	"InChI=1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3"	"FBOUIAKEJMZPQG-UHFFFAOYSA-N"	FALSE	FALSE	474	2	4
"83657-22-1"	"DTXSID7032505"	"Uniconazole"	"EPA_DSSTox"	"CC(C)(C)C(O)C(=CC1C=CC(Cl)=CC=1)N1C=NC=N1"	"?"	"InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3"	"YNWVFADWVLCOPU-UHFFFAOYSA-N"	FALSE	FALSE	1790	3	4
"838-95-9"	NA	NA	"Public_CrossChecked"	"CN(C)C1C=CC(C=CC2C=CC=CC=2)=CC=1"	"?"	"InChI=1S/C16H17N/c1-17(2)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h3-13H,1-2H3"	"XGHHHPDRXLIMPM-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"83805-11-2"	NA	NA	"Public_CrossChecked"	"CC12CCCC(=CC=C3CC(O)CC(O)C3=C)C1CCC2C(C)CCCC(O)(C(F)(F)F)C(F)(F)F"	"?"	"InChI=1S/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3"	"XPYGGHVSFMUHLH-UHFFFAOYSA-N"	TRUE	FALSE	0.0417	1	1
"839-90-7"	"DTXSID4026266"	"Tris(2-hydroxyethyl) isocyanurate"	"EPA_DSSTox"	"OCCN1C(=O)N(CCO)C(=O)N(CCO)C1=O"	"?"	"InChI=1S/C9H15N3O6/c13-4-1-10-7(16)11(2-5-14)9(18)12(3-6-15)8(10)17/h13-15H,1-6H2"	"BPXVHIRIPLPOPT-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"83905-01-5"	"DTXSID8030760"	"Azithromycin"	"EPA_DSSTox"	"CN(C)C1CC(C)OC(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)N(C)CC(C)CC2(C)O)C1O"	"?"	"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"	FALSE	TRUE	NA	3	5
"83929-47-9"	"DTXSID60232820"	"Methyl 4-(((2,5-dichlorophenyl)amino)carbonyl)-2-nitrobenzoate"	"EPA_DSSTox"	"COC(=O)C1=CC=C(C=C1[N+]([O-])=O)C(=O)NC1=CC(Cl)=CC=C1Cl"	"?"	"InChI=1S/C15H10Cl2N2O5/c1-24-15(21)10-4-2-8(6-13(10)19(22)23)14(20)18-12-7-9(16)3-5-11(12)17/h2-7H,1H3,(H,18,20)"	"BVBSCSYCFCDVEU-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"83940-41-4"	NA	NA	"Public_CrossChecked"	"COC1=CC=C(O)C(=C1C(O)C1=NC=C(N1C)[N+]([O-])=O)C(C)(C)C"	"?"	"InChI=1S/C16H21N3O5/c1-16(2,3)13-9(20)6-7-10(24-5)12(13)14(21)15-17-8-11(18(15)4)19(22)23/h6-8,14,20-21H,1-5H3"	"ACPNSCZYTIZEKI-UHFFFAOYSA-N"	FALSE	TRUE	6800	4	5
"84-04-8"	"DTXSID3023477"	"Pipamazine"	"EPA_DSSTox"	"NC(=O)C1CCN(CCCN2C3=CC=CC=C3SC3C=CC(Cl)=CC2=3)CC1"	"?"	"InChI=1S/C21H24ClN3OS/c22-16-6-7-20-18(14-16)25(17-4-1-2-5-19(17)27-20)11-3-10-24-12-8-15(9-13-24)21(23)26/h1-2,4-7,14-15H,3,8-13H2,(H2,23,26)"	"OSJJYEUEJRVVOD-UHFFFAOYSA-N"	FALSE	FALSE	620	3	4
"84-12-8"	"DTXSID3046112"	"Phanquinone"	"EPA_DSSTox"	"O=C1C2N=CC=CC=2C2C=CC=NC=2C1=O"	"?"	"InChI=1S/C12H6N2O2/c15-11-9-7(3-1-5-13-9)8-4-2-6-14-10(8)12(11)16/h1-6H"	"VLPADTBFADIFKG-UHFFFAOYSA-N"	TRUE	FALSE	5	1	2
"84-15-1"	"DTXSID1049697"	"o-Terphenyl"	"EPA_DSSTox"	"C1=CC=CC=C1C1C=CC=CC=1C1C=CC=CC=1"	"?"	"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"	FALSE	FALSE	1900	3	4
"84-16-2"	"DTXSID2022381"	"meso-Hexestrol"	"EPA_DSSTox"	"CCC(C(CC)C1C=CC(O)=CC=1)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3"	"PBBGSZCBWVPOOL-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"84-36-6"	"DTXSID9023629"	"Syrosingopine"	"EPA_DSSTox"	"CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)OC1CC2CN3CCC4C5C=CC(=CC=5NC=4C3CC2C(C1OC)C(=O)OC)OC)OC"	"?"	"InChI=1S/C35H42N2O11/c1-7-46-35(40)48-31-26(42-3)12-18(13-27(31)43-4)33(38)47-28-14-19-17-37-11-10-22-21-9-8-20(41-2)15-24(21)36-30(22)25(37)16-23(19)29(32(28)44-5)34(39)45-6/h8-9,12-13,15,19,23,25,28-29,32,36H,7,10-11,14,16-17H2,1-6H3"	"ZCDNRPPFBQDQHR-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"84-59-3"	"DTXSID00232889"	"1,5-Naphthalenediol, 2,6-dibromo-"	"EPA_DSSTox"	"OC1=C2C=CC(Br)=C(O)C2=CC=C1Br"	"?"	"InChI=1S/C10H6Br2O2/c11-7-3-1-5-6(10(7)14)2-4-8(12)9(5)13/h1-4,13-14H"	"GHJUWGHWJYULLK-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"84-61-7"	"DTXSID5025021"	"Dicyclohexyl phthalate"	"EPA_DSSTox"	"O=C(OC1CCCCC1)C1C=CC=CC=1C(=O)OC1CCCCC1"	"?"	"InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2"	"VOWAEIGWURALJQ-UHFFFAOYSA-N"	FALSE	TRUE	30000	4	5
"84-62-8"	"DTXSID3021778"	"Diphenyl phthalate"	"EPA_DSSTox"	"O=C(OC1C=CC=CC=1)C1=CC=CC=C1C(=O)OC1C=CC=CC=1"	"?"	"InChI=1S/C20H14O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h1-14H"	"DWNAQMUDCDVSLT-UHFFFAOYSA-N"	FALSE	TRUE	8000	4	5
"84-65-1"	"DTXSID3020095"	"Anthraquinone"	"EPA_DSSTox"	"O=C1C2C=CC=CC=2C(=O)C2C=CC=CC1=2"	"?"	"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"	FALSE	TRUE	NA	NA	5
"84-66-2"	"DTXSID7021780"	"Diethyl phthalate"	"EPA_DSSTox"	"CCOC(=O)C1=CC=CC=C1C(=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"	FALSE	TRUE	8600	4	5
"84-69-5"	"DTXSID9022522"	"Diisobutyl phthalate"	"EPA_DSSTox"	"CC(C)COC(=O)C1C=CC=CC=1C(=O)OCC(C)C"	"?"	"InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3"	"MGWAVDBGNNKXQV-UHFFFAOYSA-N"	FALSE	TRUE	10400	4	5
"84-74-2"	"DTXSID2021781"	"Dibutyl phthalate"	"EPA_DSSTox"	"CCCCOC(=O)C1=CC=CC=C1C(=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"	FALSE	TRUE	6300	4	5
"84-75-3"	"DTXSID6025068"	"Dihexyl phthalate"	"EPA_DSSTox"	"CCCCCCOC(=O)C1C=CC=CC=1C(=O)OCCCCCC"	"?"	"InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3"	"KCXZNSGUUQJJTR-UHFFFAOYSA-N"	FALSE	TRUE	29600	4	5
"84-76-4"	"DTXSID9047966"	"Dinonyl phthalate"	"EPA_DSSTox"	"CCCCCCCCCOC(=O)C1C=CC=CC=1C(=O)OCCCCCCCCC"	"?"	"InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3"	"DROMNWUQASBTFM-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"84-80-0"	"DTXSID8023472"	"Phytonadione"	"EPA_DSSTox"	"CC(C)CCCC(C)CCCC(C)CCCC(C)=CCC1C(=O)C2C=CC=CC=2C(=O)C=1C"	"?"	"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3"	"MBWXNTAXLNYFJB-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"84-83-3"	"DTXSID7052579"	"1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene acetaldehyde"	"EPA_DSSTox"	"CN1C(=CC=O)C(C)(C)C2=CC=CC=C12"	"?"	"InChI=1S/C13H15NO/c1-13(2)10-6-4-5-7-11(10)14(3)12(13)8-9-15/h4-9H,1-3H3"	"GCECACVNILMTRD-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"84-89-9"	"DTXSID7058911"	"1-Naphthalenesulfonic acid, 5-amino-"	"EPA_DSSTox"	"NC1C=CC=C2C(=CC=CC2=1)S(O)(=O)=O"	"?"	"InChI=1S/C10H9NO3S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14/h1-6H,11H2,(H,12,13,14)"	"DQNAQOYOSRJXFZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"84-96-8"	"DTXSID9023708"	"Trimeprazine"	"EPA_DSSTox"	"CN(C)CC(C)CN1C2=CC=CC=C2SC2C=CC=CC1=2"	"?"	"InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3"	"ZZHLYYDVIOPZBE-UHFFFAOYSA-N"	FALSE	FALSE	210	2	3
"84-97-9"	"DTXSID6048628"	"Perazine"	"EPA_DSSTox"	"CN1CCN(CCCN2C3C=CC=CC=3SC3C=CC=CC2=3)CC1"	"?"	"InChI=1S/C20H25N3S/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3"	"WEYVCQFUGFRXOM-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"84012-64-6"	"DTXSID00868783"	"1-Cyclopentene-1-propanol, .beta.,.beta.,2-trimethyl-5-(1-methylethenyl)-, 1-propanoate"	"EPA_DSSTox"	"CCC(=O)OCC(C)(C)CC1C(CCC=1C)C(C)=C"	"?"	"InChI=1S/C17H28O2/c1-7-16(18)19-11-17(5,6)10-15-13(4)8-9-14(15)12(2)3/h14H,2,7-11H2,1,3-6H3"	"RWSDULKUTPNPMB-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"84044-17-7"	NA	NA	"Public_CrossChecked"	"CCP(=O)(OC)SC"	"?"	"InChI=1S/C4H11O2PS/c1-4-7(5,6-2)8-3/h4H2,1-3H3"	"ZEOAMTWWLDATMW-UHFFFAOYSA-N"	TRUE	FALSE	8.3	1	2
"84057-84-1"	"DTXSID2023195"	"Lamotrigine"	"EPA_DSSTox"	"NC1=NC(N)=C(N=N1)C1=CC=CC(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"	FALSE	FALSE	205	2	3
"84087-01-4"	"DTXSID6032641"	"Quinclorac"	"EPA_DSSTox"	"OC(=O)C1C2N=CC(Cl)=CC=2C=CC=1Cl"	"?"	"InChI=1S/C10H5Cl2NO2/c11-6-3-5-1-2-7(12)8(10(14)15)9(5)13-4-6/h1-4H,(H,14,15)"	"FFSSWMQPCJRCRV-UHFFFAOYSA-N"	FALSE	TRUE	2190	3	5
"841-73-6"	"DTXSID4048854"	"Bucolome"	"EPA_DSSTox"	"CCCCC1C(=O)N(C2CCCCC2)C(=O)NC1=O"	"?"	"InChI=1S/C14H22N2O3/c1-2-3-9-11-12(17)15-14(19)16(13(11)18)10-7-5-4-6-8-10/h10-11H,2-9H2,1H3,(H,15,17,19)"	"DVEQCIBLXRSYPH-UHFFFAOYSA-N"	FALSE	FALSE	1115	3	4
"841-77-0"	"DTXSID80232968"	"Norcyclizine"	"EPA_DSSTox"	"C1CN(CCN1)C(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C17H20N2/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19/h1-10,17-18H,11-14H2"	"NWVNXDKZIQLBNM-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"84170-74-1"	NA	NA	"Public_CrossChecked"	"CC(C)(COCCCOC(=O)C=C)COCCCOC(=O)C=C"	"?"	"InChI=1S/C17H28O6/c1-5-15(18)22-11-7-9-20-13-17(3,4)14-21-10-8-12-23-16(19)6-2/h5-6H,1-2,7-14H2,3-4H3"	"NQGDHQASSFDDLD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"84197-34-2"	"DTXSID10233120"	"Phosphorothioic acid, O,O-diethyl O-(4-isothiocyanatophenyl) ester"	"EPA_DSSTox"	"CCOP(=S)(OC1C=CC(=CC=1)N=C=S)OCC"	"?"	"InChI=1S/C11H14NO3PS2/c1-3-13-16(18,14-4-2)15-11-7-5-10(6-8-11)12-9-17/h5-8H,3-4H2,1-2H3"	"QGFKIHMVYSNACF-UHFFFAOYSA-N"	FALSE	FALSE	251	2	3
"84197-35-3"	"DTXSID70233121"	"Phosphorothioic acid, O-(4-chloro-3-nitrophenyl) O,O-diethyl ester"	"EPA_DSSTox"	"CCOP(=S)(OC1C=C(C(Cl)=CC=1)[N+]([O-])=O)OCC"	"?"	"InChI=1S/C10H13ClNO5PS/c1-3-15-18(19,16-4-2)17-8-5-6-9(11)10(7-8)12(13)14/h5-7H,3-4H2,1-2H3"	"DRVNTXNZMYCYLS-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"84210-62-8"	"DTXSID20233131"	"Benzoic acid, 2-(3-thiazolidinylcarbonyl)-, sodium salt"	"EPA_DSSTox"	"OC(=O)C1=CC=CC=C1C(=O)N1CCSC1"	"[Na+]"	"InChI=1S/C11H11NO3S/c13-10(12-5-6-16-7-12)8-3-1-2-4-9(8)11(14)15/h1-4H,5-7H2,(H,14,15)"	"XVAYJUBRRZOANH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"84268-33-7"	"DTXSID9036488"	"Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, methyl ester"	"EPA_DSSTox"	"COC(=O)CCC1C=C(C(O)=C(C=1)C(C)(C)C)N1N=C2C=CC=CC2=N1"	"?"	"InChI=1S/C20H23N3O3/c1-20(2,3)14-11-13(9-10-18(24)26-4)12-17(19(14)25)23-21-15-7-5-6-8-16(15)22-23/h5-8,11-12,25H,9-10H2,1-4H3"	"UJRDRFZCRQNLJM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"84487-03-6"	"DTXSID80233475"	"Pyridine, 2-amino-6-chloro-5-nitro-"	"EPA_DSSTox"	"NC1C=CC(=C(Cl)N=1)[N+]([O-])=O"	"?"	"InChI=1S/C5H4ClN3O2/c6-5-3(9(10)11)1-2-4(7)8-5/h1-2H,(H2,7,8)"	"XVJLWPXRQLPUPT-UHFFFAOYSA-N"	FALSE	FALSE	1783	3	4
"84504-69-8"	"DTXSID2040234"	"Irsogladine maleate"	"EPA_DSSTox"	"NC1=NC(=NC(N)=N1)C1C=C(Cl)C=CC=1Cl"	"C(/C=C\C(=O)O)(=O)O"	"InChI=1S/C9H7Cl2N5/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16)"	"ATCGGEJZONJOCL-UHFFFAOYSA-N"	FALSE	TRUE	2898	3	5
"84529-59-9"	"DTXSID4073679"	"N-(2-Bromo-4-chlorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline"	"EPA_DSSTox"	"CN(C1C(=CC(=CC=1C(F)(F)F)[N+]([O-])=O)[N+]([O-])=O)C1C=CC(Cl)=CC=1Br"	"?"	"InChI=1S/C14H8BrClF3N3O4/c1-20(11-3-2-7(16)4-10(11)15)13-9(14(17,18)19)5-8(21(23)24)6-12(13)22(25)26/h2-6H,1H3"	"IBPFENASYMFEQN-UHFFFAOYSA-N"	TRUE	FALSE	4.5	1	1
"84529-63-5"	"DTXSID8073681"	"N-(2,4-Dichlorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline"	"EPA_DSSTox"	"CN(C1C(=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O)C(F)(F)F)C1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C14H8Cl2F3N3O4/c1-20(11-3-2-7(15)4-10(11)16)13-9(14(17,18)19)5-8(21(23)24)6-12(13)22(25)26/h2-6H,1H3"	"CRMFHYMPUSLXJK-UHFFFAOYSA-N"	TRUE	FALSE	4.5	1	1
"84542-20-1"	"DTXSID3073686"	"N-(2,4-Difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline"	"EPA_DSSTox"	"CN(C1C(=CC(=CC=1C(F)(F)F)[N+]([O-])=O)[N+]([O-])=O)C1=CC=C(F)C=C1F"	"?"	"InChI=1S/C14H8F5N3O4/c1-20(11-3-2-7(15)4-10(11)16)13-9(14(17,18)19)5-8(21(23)24)6-12(13)22(25)26/h2-6H,1H3"	"BGEWCEXJSPCYTQ-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"84596-57-6"	"DTXSID7074111"	"Benzamide, N-[[[5-(4-chlorophenyl)-4,6-dimethyl-2-pyridinyl]amino]carbonyl]-2,6-difluoro-"	"EPA_DSSTox"	"CC1=NC(=CC(C)=C1C1C=CC(Cl)=CC=1)NC(=O)NC(=O)C1C(F)=CC=CC=1F"	"?"	"InChI=1S/C21H16ClF2N3O2/c1-11-10-17(25-12(2)18(11)13-6-8-14(22)9-7-13)26-21(29)27-20(28)19-15(23)4-3-5-16(19)24/h3-10H,1-2H3,(H2,25,26,27,28,29)"	"OMTGAKYMMAWHHG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"84597-71-7"	"DTXSID60233574"	"Benzenesulfonamide, 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-methyl-"	"EPA_DSSTox"	"CNS(=O)(=O)C1=CC=CC=C1C1=NN=C(N)S1"	"?"	"InChI=1S/C9H10N4O2S2/c1-11-17(14,15)7-5-3-2-4-6(7)8-12-13-9(10)16-8/h2-5,11H,1H3,(H2,10,13)"	"WOXJMDSFCKRTEO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"846-48-0"	NA	NA	"Public_CrossChecked"	"CC12CCC3C(CCC4=CC(=O)C=CC43C)C1CCC2O"	"?"	"InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3"	"RSIHSRDYCUFFLA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"846-49-1"	"DTXSID7023225"	"Lorazepam"	"EPA_DSSTox"	"OC1N=C(C2=CC(Cl)=CC=C2NC1=O)C1=CC=CC=C1Cl"	"?"	"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"	FALSE	TRUE	4500	3	5
"84611-23-4"	"DTXSID8048735"	"Erdosteine"	"EPA_DSSTox"	"OC(=O)CSCC(=O)NC1CCSC1=O"	"?"	"InChI=1S/C8H11NO4S2/c10-6(3-14-4-7(11)12)9-5-1-2-15-8(5)13/h5H,1-4H2,(H,9,10)(H,11,12)"	"QGFORSXNKQLDNO-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"84625-61-6"	"DTXSID3023180"	"Itraconazole"	"EPA_DSSTox"	"CC(CC)N1N=CN(C1=O)C1C=CC(=CC=1)N1CCN(CC1)C1C=CC(=CC=1)OCC1COC(CN2C=NC=N2)(O1)C1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3"	"VHVPQPYKVGDNFY-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"84632-50-8"	NA	NA	"Public_CrossChecked"	"N#CC1C=C(C=CC=1)C1=NC(=O)C2C1C(=O)NC=2C1=CC(=CC=C1)C#N"	"?"	"InChI=1S/C20H10N4O2/c21-9-11-3-1-5-13(7-11)17-15-16(20(26)23-17)18(24-19(15)25)14-6-2-4-12(8-14)10-22/h1-8,15H,(H,24,25)"	"IBHROEAVFSSQRT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"84632-59-7"	NA	NA	"Public_CrossChecked"	"CC(C)(C)C1C=CC(=CC=1)C1=NC(=O)C2C1C(=O)NC=2C1C=CC(=CC=1)C(C)(C)C"	"?"	"InChI=1S/C26H28N2O2/c1-25(2,3)17-11-7-15(8-12-17)21-19-20(24(30)27-21)22(28-23(19)29)16-9-13-18(14-10-16)26(4,5)6/h7-14,19H,1-6H3,(H,28,29)"	"LHAZTPPNIKFJSJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"84731-70-4"	NA	NA	"Public_CrossChecked"	"CCCCC(COC(=O)C1CCC(CC1)C(=O)OCC(CCCC)CC)CC"	"?"	"InChI=1S/C24H44O4/c1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2/h19-22H,5-18H2,1-4H3"	"HOQGHOMLEVKTBY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"84732-27-4"	"DTXSID20888645"	"1,2,4-Benzenetricarboxylic acid, 1-[2-[(1-oxo-2-propen-1-yl)oxy]ethyl] ester"	"EPA_DSSTox"	"C=CC(=O)OCCOC(=O)C1=CC=C(C=C1C(O)=O)C(O)=O"	"?"	"InChI=1S/C14H12O8/c1-2-11(15)21-5-6-22-14(20)9-4-3-8(12(16)17)7-10(9)13(18)19/h2-4,7H,1,5-6H2,(H,16,17)(H,18,19)"	"JSIGTVCYQSGTFG-UHFFFAOYSA-N"	FALSE	TRUE	3190	3	5
"848-53-3"	"DTXSID9045635"	"Homochlorcyclizine"	"EPA_DSSTox"	"CN1CCCN(CC1)C(C1C=CC=CC=1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C19H23ClN2/c1-21-12-5-13-22(15-14-21)19(16-6-3-2-4-7-16)17-8-10-18(20)11-9-17/h2-4,6-11,19H,5,12-15H2,1H3"	"WEUCDJCFJHYFRL-UHFFFAOYSA-N"	FALSE	FALSE	490	2	4
"84852-53-9"	"DTXSID2052732"	"1,1'-Ethane-1,2-diylbis(pentabromobenzene)"	"EPA_DSSTox"	"BrC1C(CCC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)=C(Br)C(Br)=C(Br)C=1Br"	"?"	"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"	FALSE	TRUE	NA	4	5
"849-55-8"	NA	NA	"Public_CrossChecked"	"CC(CCC1C=CC=CC=1)NC(C)C(O)C1=CC=C(O)C=C1"	"?"	"InChI=1S/C19H25NO2/c1-14(8-9-16-6-4-3-5-7-16)20-15(2)19(22)17-10-12-18(21)13-11-17/h3-7,10-15,19-22H,8-9H2,1-2H3"	"PTGXAUBQBSGPKF-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"84964-12-5"	NA	NA	"Public_CrossChecked"	"CCC12CC(O)(C(=O)OC)N3C4C1N(CCC=4C1C=CC(Br)=CC3=1)CCC2"	"C(=C/C(=O)O)\C(=O)O"	"InChI=1S/C21H25BrN2O3/c1-3-20-8-4-9-23-10-7-15-14-6-5-13(22)11-16(14)24(17(15)18(20)23)21(26,12-20)19(25)27-2/h5-6,11,18,26H,3-4,7-10,12H2,1-2H3"	"WYIJGAVIVKPUGJ-UHFFFAOYSA-N"	FALSE	FALSE	1743	3	4
"84985-34-2"	NA	NA	"Public_CrossChecked"	"CC1C(O)C(C(O)O)C(=S)NC1C"	"?"	"InChI=1S/C8H15NO3S/c1-3-4(2)9-7(13)5(6(3)10)8(11)12/h3-6,8,10-12H,1-2H3,(H,9,13)"	"JOVBPJAEPFRTIX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"85-00-7"	"DTXSID3024075"	"Diquat dibromide"	"EPA_DSSTox"	"C1C[N+]2C=CC=CC=2C2C=CC=C[N+]=21"	"[Br-].[Br-]"	"InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2"	"SYJFEGQWDCRVNX-UHFFFAOYSA-N"	FALSE	FALSE	120.5	2	3
"85-34-7"	"DTXSID2040284"	"Chlorfenac"	"EPA_DSSTox"	"OC(=O)CC1=C(Cl)C(Cl)=CC=C1Cl"	"?"	"InChI=1S/C8H5Cl3O2/c9-5-1-2-6(10)8(11)4(5)3-7(12)13/h1-2H,3H2,(H,12,13)"	"QZXCCPZJCKEPSA-UHFFFAOYSA-N"	FALSE	FALSE	1780	3	4
"85-40-5"	"DTXSID8026513"	"1,2,3,6-Tetrahydrophthalimide"	"EPA_DSSTox"	"O=C1NC(=O)C2CC=CCC12"	"?"	"InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-2,5-6H,3-4H2,(H,9,10,11)"	"CIFFBTOJCKSRJY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"85-41-6"	"DTXSID3026514"	"Phthalimide"	"EPA_DSSTox"	"O=C1NC(=O)C2C=CC=CC1=2"	"?"	"InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)"	"XKJCHHZQLQNZHY-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"85-42-7"	"DTXSID8026515"	"Hexahydrophthalic anhydride"	"EPA_DSSTox"	"O=C1OC(=O)C2CCCCC12"	"?"	"InChI=1S/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2"	"MUTGBJKUEZFXGO-UHFFFAOYSA-N"	FALSE	TRUE	4040	3	5
"85-43-8"	"DTXSID3026516"	"Tetrahydrophthalic anhydride"	"EPA_DSSTox"	"O=C1OC(=O)C2CC=CCC12"	"?"	"InChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-2,5-6H,3-4H2"	"KMOUUZVZFBCRAM-UHFFFAOYSA-N"	FALSE	TRUE	5410	4	5
"85-44-9"	"DTXSID2021159"	"Phthalic anhydride"	"EPA_DSSTox"	"O=C1OC(=O)C2C=CC=CC1=2"	"?"	"InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H"	"LGRFSURHDFAFJT-UHFFFAOYSA-N"	FALSE	FALSE	1530	3	4
"85-52-9"	"DTXSID6058924"	"Benzoic acid, 2-benzoyl-"	"EPA_DSSTox"	"OC(=O)C1C=CC=CC=1C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C14H10O3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9H,(H,16,17)"	"FGTYTUFKXYPTML-UHFFFAOYSA-N"	FALSE	TRUE	4600	3	5
"85-70-1"	"DTXSID7023938"	"Butylphthalyl butylglycolate"	"EPA_DSSTox"	"CCCCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCCCC"	"?"	"InChI=1S/C18H24O6/c1-3-5-11-22-16(19)13-24-18(21)15-10-8-7-9-14(15)17(20)23-12-6-4-2/h7-10H,3-6,11-13H2,1-2H3"	"GOJCZVPJCKEBQV-UHFFFAOYSA-N"	FALSE	TRUE	7000	4	5
"85-72-3"	"DTXSID0041486"	"3'-Methylphthalanilic acid"	"EPA_DSSTox"	"CC1C=C(C=CC=1)NC(=O)C1C=CC=CC=1C(O)=O"	"?"	"InChI=1S/C15H13NO3/c1-10-5-4-6-11(9-10)16-14(17)12-7-2-3-8-13(12)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)"	"AZPJXONNBLOZFE-UHFFFAOYSA-N"	FALSE	TRUE	5230	4	5
"85-73-4"	"DTXSID8023470"	"Phthalylsulfathiazole"	"EPA_DSSTox"	"OC(=O)C1C=CC=CC=1C(=O)NC1C=CC(=CC=1)S(=O)(=O)NC1=NC=CS1"	"?"	"InChI=1S/C17H13N3O5S2/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23)"	"PBMSWVPMRUJMPE-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"85095-76-7"	NA	NA	"Public_CrossChecked"	"OC(CNCCNCC(O)CCl)CCl"	"Cl.Cl"	"InChI=1S/C8H18Cl2N2O2/c9-3-7(13)5-11-1-2-12-6-8(14)4-10/h7-8,11-14H,1-6H2"	"CZJWCCGENCEFPM-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"85095-79-0"	NA	NA	"Public_CrossChecked"	"OC(CNC1C=CC=CC=1NCC(O)CCl)CCl"	"?"	"InChI=1S/C12H18Cl2N2O2/c13-5-9(17)7-15-11-3-1-2-4-12(11)16-8-10(18)6-14/h1-4,9-10,15-18H,5-8H2"	"LKYBBUJUXPLBIC-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"85111-28-0"	NA	NA	"Public_CrossChecked"	"OC(CNCCNCC(O)CCl)CCl"	"?"	"InChI=1S/C8H18Cl2N2O2/c9-3-7(13)5-11-1-2-12-6-8(14)4-10/h7-8,11-14H,1-6H2"	"CZJWCCGENCEFPM-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"85162-11-4"	"DTXSID10234314"	"4-Oxazoleacetic acid, 2-(p-fluorophenyl)-5-(3-thienyl)-"	"EPA_DSSTox"	"OC(=O)CC1N=C(OC=1C1=CSC=C1)C1C=CC(F)=CC=1"	"?"	"InChI=1S/C15H10FNO3S/c16-11-3-1-9(2-4-11)15-17-12(7-13(18)19)14(20-15)10-5-6-21-8-10/h1-6,8H,7H2,(H,18,19)"	"SCEWIPICHQDLEK-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"85175-31-1"	"DTXSID60234344"	"5H-(1)Benzopyrano(4,3-b)pyridin-5-one"	"EPA_DSSTox"	"O=C1OC2=CC=CC=C2C2=NC=CC=C21"	"?"	"InChI=1S/C12H7NO2/c14-12-9-5-3-7-13-11(9)8-4-1-2-6-10(8)15-12/h1-7H"	"GNWLMVUQBPYECO-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"85187-23-1"	"DTXSID40234367"	"1,3,5-Triisopropyl-2,4-dinitrobenzene"	"EPA_DSSTox"	"CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C15H22N2O4/c1-8(2)11-7-12(9(3)4)15(17(20)21)13(10(5)6)14(11)16(18)19/h7-10H,1-6H3"	"NGJYAFYAFKBGRH-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"85209-91-2"	"DTXSID2072914"	"12H-Dibenzo[d,g][1,3,2]dioxaphosphocin, 2,4,8,10-tetrakis(1,1-dimethylethyl)-6-hydroxy-, 6-oxide, sodium salt"	"EPA_DSSTox"	"CC(C)(C)C1=CC(=CC2CC3C=C(C=C(C=3OP(O)(=O)OC1=2)C(C)(C)C)C(C)(C)C)C(C)(C)C"	"[Na+]"	"InChI=1S/C29H43O4P/c1-26(2,3)20-14-18-13-19-15-21(27(4,5)6)17-23(29(10,11)12)25(19)33-34(30,31)32-24(18)22(16-20)28(7,8)9/h14-17H,13H2,1-12H3,(H,30,31)"	"GGQHNQQPLWRNHD-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"85273-96-7"	NA	NA	"Public_CrossChecked"	"CN(C)CCSC1=NC2C=CC=CC=2C=C1C1C=CC=CC=1"	"?"	"InChI=1S/C19H20N2S/c1-21(2)12-13-22-19-17(15-8-4-3-5-9-15)14-16-10-6-7-11-18(16)20-19/h3-11,14H,12-13H2,1-2H3"	"HYOLQGVNMQNERE-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"853-34-9"	"DTXSID00234500"	"Kebuzone"	"EPA_DSSTox"	"CC(=O)CCC1C(=O)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O"	"?"	"InChI=1S/C19H18N2O3/c1-14(22)12-13-17-18(23)20(15-8-4-2-5-9-15)21(19(17)24)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3"	"LGYTZKPVOAIUKX-UHFFFAOYSA-N"	FALSE	FALSE	720	3	4
"85365-53-3"	NA	NA	"Public_CrossChecked"	"CC(=O)OC1(CN2CCC1CC2C(O)C1C=CN=C2C=CC(=CC=12)OC)CC"	"?"	"InChI=1S/C22H28N2O4/c1-4-22(28-14(2)25)13-24-10-8-15(22)11-20(24)21(26)17-7-9-23-19-6-5-16(27-3)12-18(17)19/h5-7,9,12,15,20-21,26H,4,8,10-11,13H2,1-3H3"	"OAUDKHPYEZVLMK-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"85405-59-0"	"DTXSID90873225"	"3-Hydroxyhydroquinidine"	"EPA_DSSTox"	"CCC1(O)CN2CCC1CC2C(O)C1=CC=NC2C=CC(=CC=21)OC"	"?"	"InChI=1S/C20H26N2O3/c1-3-20(24)12-22-9-7-13(20)10-18(22)19(23)15-6-8-21-17-5-4-14(25-2)11-16(15)17/h4-6,8,11,13,18-19,23-24H,3,7,9-10,12H2,1-2H3"	"QJYVSAYVZYKUJL-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"85438-51-3"	"DTXSID8073689"	"1,3,5-Triazine-2,4,6-triamine, N,N'''-1,6-hexanediylbis[N',N''-di-2-propenyl-N-(2,2,6,6-tetramethyl-4-piperidinyl)-"	"EPA_DSSTox"	"CC1(C)CC(CC(C)(C)N1)N(CCCCCCN(C1CC(C)(C)NC(C)(C)C1)C1=NC(NCC=C)=NC(NCC=C)=N1)C1=NC(NCC=C)=NC(NCC=C)=N1"	"?"	"InChI=1S/C42H72N14/c1-13-21-43-33-47-34(44-22-14-2)50-37(49-33)55(31-27-39(5,6)53-40(7,8)28-31)25-19-17-18-20-26-56(32-29-41(9,10)54-42(11,12)30-32)38-51-35(45-23-15-3)48-36(52-38)46-24-16-4/h13-16,31-32,53-54H,1-4,17-30H2,5-12H3,(H2,43,44,47,49,50)(H2,45,46,48,51,52)"	"UAZYLKSUESKEDW-UHFFFAOYSA-N"	FALSE	TRUE	4012	3	5
"85509-19-9"	"DTXSID3024235"	"Flusilazole"	"EPA_DSSTox"	"C[Si](CN1C=NC=N1)(C1C=CC(F)=CC=1)C1C=CC(F)=CC=1"	"?"	"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"	FALSE	FALSE	674	3	4
"85539-83-9"	NA	NA	"Public_CrossChecked"	"N#C[Se]CC1C=CC(C[Se]C#N)=CC=1"	"?"	"InChI=1S/C10H8N2Se2/c11-7-13-5-9-1-2-10(4-3-9)6-14-8-12/h1-4H,5-6H2"	"QFTBWTJGZHUOAW-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"85697-07-0"	"DTXSID00234984"	"Propanamide, N-ethyl-3-(((1-phenyl-1H-tetrazol-5-yl)methyl)thio)-"	"EPA_DSSTox"	"CCNC(=O)CCSCC1=NN=NN1C1C=CC=CC=1"	"?"	"InChI=1S/C13H17N5OS/c1-2-14-13(19)8-9-20-10-12-15-16-17-18(12)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,19)"	"UPLJXOHHBVVBBG-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"85697-11-6"	NA	NA	"Public_CrossChecked"	"CCN1N=NN=C1CSCCCC(=O)NCC"	"?"	"InChI=1S/C10H19N5OS/c1-3-11-10(16)6-5-7-17-8-9-12-13-14-15(9)4-2/h3-8H2,1-2H3,(H,11,16)"	"WWUFYMKTLBBINN-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"857-95-4"	NA	NA	"Public_CrossChecked"	"NC(CC1C=CC(=CC=1)OC1C=CC(=CC=1)N(CCCl)CCCl)C(O)=O"	"?"	"InChI=1S/C19H22Cl2N2O3/c20-9-11-23(12-10-21)15-3-7-17(8-4-15)26-16-5-1-14(2-6-16)13-18(22)19(24)25/h1-8,18H,9-13,22H2,(H,24,25)"	"IDJLCKJFVNGXOP-UHFFFAOYSA-N"	FALSE	FALSE	620	3	4
"85721-33-1"	"DTXSID8022824"	"Ciprofloxacin"	"EPA_DSSTox"	"OC(=O)C1=CN(C2CC2)C2=CC(=C(F)C=C2C1=O)N1CCNCC1"	"?"	"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"	FALSE	TRUE	NA	3	5
"85785-20-2"	"DTXSID2058201"	"Esprocarb"	"EPA_DSSTox"	"CC(C)C(C)N(CC)C(=O)SCC1=CC=CC=C1"	"?"	"InChI=1S/C15H23NOS/c1-5-16(13(4)12(2)3)15(17)18-11-14-9-7-6-8-10-14/h6-10,12-13H,5,11H2,1-4H3"	"BXEHUCNTIZGSOJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"85801-02-1"	"DTXSID9057844"	"Indomethacin farnesil"	"EPA_DSSTox"	"CC(C)=CCCC(C)=CCCC(C)=CCOC(=O)CC1C2C=C(C=CC=2N(C(=O)C2C=CC(Cl)=CC=2)C=1C)OC"	"?"	"InChI=1S/C34H40ClNO4/c1-23(2)9-7-10-24(3)11-8-12-25(4)19-20-40-33(37)22-30-26(5)36(32-18-17-29(39-6)21-31(30)32)34(38)27-13-15-28(35)16-14-27/h9,11,13-19,21H,7-8,10,12,20,22H2,1-6H3"	"CFIGYZZVJNJVDQ-UHFFFAOYSA-N"	FALSE	FALSE	1680	3	4
"85813-73-6"	"DTXSID10473605"	"Benzenesulfonyl isocyanate, 2-(trifluoromethyl)-"	"EPA_DSSTox"	"O=C=NS(=O)(=O)C1=CC=CC=C1C(F)(F)F"	"?"	"InChI=1S/C8H4F3NO3S/c9-8(10,11)6-3-1-2-4-7(6)16(14,15)12-5-13/h1-4H"	"QQYWUZHDPAYMOO-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"85815-37-8"	"DTXSID80235095"	"Rilmazafone hydrochloride"	"EPA_DSSTox"	"CN(C)C(=O)C1N=C(CNC(=O)CN)N(N=1)C1=CC=C(Cl)C=C1C(=O)C1=CC=CC=C1Cl"	"Cl"	"InChI=1S/C21H20Cl2N6O3/c1-28(2)21(32)20-26-17(11-25-18(30)10-24)29(27-20)16-8-7-12(22)9-14(16)19(31)13-5-3-4-6-15(13)23/h3-9H,10-11,24H2,1-2H3,(H,25,30)"	"KYHFRCPLIGODFH-UHFFFAOYSA-N"	FALSE	FALSE	680	3	4
"858956-08-8"	"DTXSID0074683"	"4-Pyrimidinecarboxylic acid, 6-amino-5-chloro-2-cyclopropyl-"	"EPA_DSSTox"	"NC1=NC(=NC(C(O)=O)=C1Cl)C1CC1"	"?"	"InChI=1S/C8H8ClN3O2/c9-4-5(8(13)14)11-7(3-1-2-3)12-6(4)10/h3H,1-2H2,(H,13,14)(H2,10,11,12)"	"KWAIHLIXESXTJL-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"859-18-7"	"DTXSID7047803"	"Lincomycin hydrochloride"	"EPA_DSSTox"	"CC(O)C(NC(=O)C1CC(CCC)CN1C)C1OC(SC)C(O)C(O)C1O"	"Cl"	"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"	FALSE	TRUE	NA	4	5
"85977-49-7"	"DTXSID20235317"	"Tauromustine"	"EPA_DSSTox"	"CN(C)S(=O)(=O)CCNC(=O)N(CCCl)N=O"	"?"	"InChI=1S/C7H15ClN4O4S/c1-11(2)17(15,16)6-4-9-7(13)12(10-14)5-3-8/h3-6H2,1-2H3,(H,9,13)"	"RCLLNBVPCJDIPX-UHFFFAOYSA-N"	TRUE	FALSE	39	1	2
"86-00-0"	"DTXSID9025746"	"2-Nitro-1,1'-biphenyl"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC=CC=C1C1C=CC=CC=1"	"?"	"InChI=1S/C12H9NO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H"	"YOJKKXRJMXIKSR-UHFFFAOYSA-N"	FALSE	FALSE	1230	3	4
"86-04-4"	"DTXSID90235329"	"Inosine diphosphate"	"EPA_DSSTox"	"OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1O)N1C=NC2=C1NC=NC2=O"	"?"	"InChI=1S/C10H14N4O11P2/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,11,12,17)(H2,18,19,20)"	"JPXZQMKKFWMMGK-UHFFFAOYSA-N"	FALSE	TRUE	3790	3	5
"86-12-4"	"DTXSID1048835"	"Thenalidine"	"EPA_DSSTox"	"CN1CCC(CC1)N(CC1=CC=CS1)C1C=CC=CC=1"	"?"	"InChI=1S/C17H22N2S/c1-18-11-9-16(10-12-18)19(14-17-8-5-13-20-17)15-6-3-2-4-7-15/h2-8,13,16H,9-12,14H2,1H3"	"KLOHYVOVXOUKQI-UHFFFAOYSA-N"	FALSE	FALSE	1060	3	4
"86-28-2"	"DTXSID1052585"	"9-Ethylcarbazole"	"EPA_DSSTox"	"CCN1C2=CC=CC=C2C2C=CC=CC1=2"	"?"	"InChI=1S/C14H13N/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10H,2H2,1H3"	"PLAZXGNBGZYJSA-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"86-29-3"	"DTXSID4020539"	"Diphenylacetonitrile"	"EPA_DSSTox"	"N#CC(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C14H11N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H"	"NEBPTMCRLHKPOB-UHFFFAOYSA-N"	FALSE	TRUE	3500	3	5
"86-30-6"	"DTXSID6021030"	"N-Nitrosodiphenylamine"	"EPA_DSSTox"	"O=NN(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"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"	FALSE	FALSE	1825	3	4
"86-35-1"	"DTXSID6023020"	"Ethotoin"	"EPA_DSSTox"	"CCN1C(=O)NC(C2C=CC=CC=2)C1=O"	"?"	"InChI=1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,15)"	"SZQIFWWUIBRPBZ-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"86-50-0"	"DTXSID3020122"	"Azinphos-methyl"	"EPA_DSSTox"	"COP(=S)(OC)SCN1N=NC2C=CC=CC=2C1=O"	"?"	"InChI=1S/C10H12N3O3PS2/c1-15-17(18,16-2)19-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,7H2,1-2H3"	"CJJOSEISRRTUQB-UHFFFAOYSA-N"	TRUE	FALSE	4.6	1	1
"86-52-2"	"DTXSID5058939"	"Naphthalene, 1-(chloromethyl)-"	"EPA_DSSTox"	"ClCC1C=CC=C2C=CC=CC2=1"	"?"	"InChI=1S/C11H9Cl/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2"	"XMWGTKZEDLCVIG-UHFFFAOYSA-N"	FALSE	FALSE	890	3	4
"86-54-4"	"DTXSID4023129"	"Hydralazine"	"EPA_DSSTox"	"NNC1=NN=CC2C=CC=CC=21"	"?"	"InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)"	"RPTUSVTUFVMDQK-UHFFFAOYSA-N"	FALSE	FALSE	90	2	3
"86-57-7"	"DTXSID7020978"	"1-Nitronaphthalene"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC=CC2C=CC=CC=21"	"?"	"InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H"	"RJKGJBPXVHTNJL-UHFFFAOYSA-N"	FALSE	FALSE	150	2	3
"86-74-8"	"DTXSID4020248"	"Carbazole"	"EPA_DSSTox"	"C1=CC=CC2NC3C=CC=CC=3C=21"	"?"	"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"	FALSE	TRUE	5001	4	5
"86-84-0"	"DTXSID9058949"	"1-Isocyanatonaphthalene"	"EPA_DSSTox"	"O=C=NC1=CC=CC2C=CC=CC=21"	"?"	"InChI=1S/C11H7NO/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H"	"BDQNKCYCTYYMAA-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"86-87-3"	"DTXSID8020915"	"1-Naphthaleneacetic acid"	"EPA_DSSTox"	"OC(=O)CC1=CC=CC2C=CC=CC=21"	"?"	"InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)"	"PRPINYUDVPFIRX-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"86-88-4"	"DTXSID8020919"	"1-(1-Naphthyl)-2-thiourea"	"EPA_DSSTox"	"NC(=S)NC1=CC=CC2C=CC=CC=21"	"?"	"InChI=1S/C11H10N2S/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,12,13,14)"	"PIVQQUNOTICCSA-UHFFFAOYSA-N"	TRUE	FALSE	3	1	1
"86-92-0"	"DTXSID6052588"	"5-Methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one"	"EPA_DSSTox"	"CC1CC(=O)N(N=1)C1C=CC(C)=CC=1"	"?"	"InChI=1S/C11H12N2O/c1-8-3-5-10(6-4-8)13-11(14)7-9(2)12-13/h3-6H,7H2,1-2H3"	"IOQOLGUXWSBWHR-UHFFFAOYSA-N"	FALSE	TRUE	7450	4	5
"860-22-0"	"DTXSID1020190"	"C.I. Acid Blue 74"	"EPA_DSSTox"	"OS(=O)(=O)C1=CC2=C(C=C1)NC(=C1NC3C=CC(=CC=3C1=O)S(O)(=O)=O)C2=O"	"[Na+].[Na+]"	"InChI=1S/C16H10N2O8S2/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14/h1-6,17-18H,(H,21,22,23)(H,24,25,26)"	"CFZXDJWFRVEWSR-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"860035-10-5"	NA	NA	"Public_CrossChecked"	"CC(C)C(=O)OC(C)OC(=O)ON1C(=O)CCC1=O"	"?"	"InChI=1S/C11H15NO7/c1-6(2)10(15)17-7(3)18-11(16)19-12-8(13)4-5-9(12)14/h6-7H,4-5H2,1-3H3"	"NIJJEANUXNRGNK-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"86135-39-9"	NA	NA	"Public_CrossChecked"	"CN(CCCOC1C=CC(=CC=1C1SC2C=CC=CC=2N1C(C)=O)[N+]([O-])=O)C1CCCCC1"	"C(=C/C(=O)O)\C(=O)O"	"InChI=1S/C25H31N3O4S/c1-18(29)27-22-11-6-7-12-24(22)33-25(27)21-17-20(28(30)31)13-14-23(21)32-16-8-15-26(2)19-9-4-3-5-10-19/h6-7,11-14,17,19,25H,3-5,8-10,15-16H2,1-2H3"	"DVJSDFNMDMUHDO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"86135-92-4"	NA	NA	"Public_CrossChecked"	"CC(=O)N1C(SC2C=CC=CC1=2)C1C=C(C=CC=1OCCCCN1CCN(CCC2C=C(OC)C(OC)=C(C=2)OC)CC1)OC"	"Cl.Cl"	"InChI=1S/C35H45N3O6S/c1-25(39)38-29-10-6-7-11-33(29)45-35(38)28-24-27(40-2)12-13-30(28)44-21-9-8-15-36-17-19-37(20-18-36)16-14-26-22-31(41-3)34(43-5)32(23-26)42-4/h6-7,10-13,22-24,35H,8-9,14-21H2,1-5H3"	"SLGSZXCWKMILHF-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"86247-86-1"	NA	NA	"Public_CrossChecked"	"CC(C)NCC(O)COC1C=CC=C2CC(O)COC2=1"	"?"	"InChI=1S/C15H23NO4/c1-10(2)16-7-13(18)9-19-14-5-3-4-11-6-12(17)8-20-15(11)14/h3-5,10,12-13,16-18H,6-9H2,1-2H3"	"GEKRLAMHPJMGFS-UHFFFAOYSA-N"	FALSE	FALSE	1840	3	4
"86273-46-3"	"DTXSID90888672"	"2-Propenoic acid, 2-[2-(ethenyloxy)ethoxy]ethyl ester"	"EPA_DSSTox"	"C=CC(=O)OCCOCCOC=C"	"?"	"InChI=1S/C9H14O4/c1-3-9(10)13-8-7-12-6-5-11-4-2/h3-4H,1-2,5-8H2"	"URQQDYIVGXOEDA-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"86335-26-4"	"DTXSID40235495"	"Acetic acid, (2-(2,3,5,6-tetrachlorophenoxy)phenyl)-"	"EPA_DSSTox"	"OC(=O)CC1=CC=CC=C1OC1C(Cl)=C(Cl)C=C(Cl)C=1Cl"	"?"	"InChI=1S/C14H8Cl4O3/c15-8-6-9(16)13(18)14(12(8)17)21-10-4-2-1-3-7(10)5-11(19)20/h1-4,6H,5H2,(H,19,20)"	"GHGPBRILEYTPSN-UHFFFAOYSA-N"	FALSE	FALSE	303	2	4
"86360-33-0"	"DTXSID70235504"	"Carocainide hydrochloride"	"EPA_DSSTox"	"CNC(=O)NC1C(OCCN2CCCC2)=C(OC)C2OC=CC=2C=1OC"	"Cl"	"InChI=1S/C18H25N3O5/c1-19-18(22)20-13-14(23-2)12-6-10-25-15(12)17(24-3)16(13)26-11-9-21-7-4-5-8-21/h6,10H,4-5,7-9,11H2,1-3H3,(H2,19,20,22)"	"BWMMRMDCODVQBX-UHFFFAOYSA-N"	FALSE	FALSE	1047	3	4
"86371-40-6"	NA	NA	"Public_CrossChecked"	"CCNC(C)CN1Cc2c(=O)oc3ccccc3c2CC1"	"?"	"InChI=1S/C17H22N2O2/c1-3-18-12(2)10-19-9-8-13-14-6-4-5-7-16(14)21-17(20)15(13)11-19/h4-7,12,18H,3,8-11H2,1-2H3"	"MJRICTKAEYTJAV-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"86393-33-1"	"DTXSID9057846"	"Fluoroquinolonic acid"	"EPA_DSSTox"	"OC(=O)C1=CN(C2CC2)C2C=C(Cl)C(F)=CC=2C1=O"	"?"	"InChI=1S/C13H9ClFNO3/c14-9-4-11-7(3-10(9)15)12(17)8(13(18)19)5-16(11)6-1-2-6/h3-6H,1-2H2,(H,18,19)"	"ISPVACVJFUIDPD-UHFFFAOYSA-N"	FALSE	FALSE	583	3	4
"86401-95-8"	"DTXSID2023301"	"Methylprednisolone aceponate"	"EPA_DSSTox"	"CC(=O)OCC(=O)C1(CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3C(O)CC12C)OC(=O)CC"	"?"	"InChI=1S/C27H36O7/c1-6-23(32)34-27(22(31)14-33-16(3)28)10-8-19-18-11-15(2)20-12-17(29)7-9-25(20,4)24(18)21(30)13-26(19,27)5/h7,9,12,15,18-19,21,24,30H,6,8,10-11,13-14H2,1-5H3"	"DALKLAYLIPSCQL-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"86408-72-2"	"DTXSID4057847"	"Ecabet sodium"	"EPA_DSSTox"	"CC(C)C1=CC2CCC3C(C)(CCCC3(C)C(O)=O)C=2C=C1S(O)(=O)=O"	"[Na+]"	"InChI=1S/C20H28O5S/c1-12(2)14-10-13-6-7-17-19(3,8-5-9-20(17,4)18(21)22)15(13)11-16(14)26(23,24)25/h10-12,17H,5-9H2,1-4H3,(H,21,22)(H,23,24,25)"	"IWCWQNVIUXZOMJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"86479-06-3"	"DTXSID3032620"	"Hexaflumuron"	"EPA_DSSTox"	"O=C(NC(=O)NC1C=C(Cl)C(OC(F)(F)C(F)F)=C(Cl)C=1)C1C(F)=CC=CC=1F"	"?"	"InChI=1S/C16H8Cl2F6N2O3/c17-7-4-6(5-8(18)12(7)29-16(23,24)14(21)22)25-15(28)26-13(27)11-9(19)2-1-3-10(11)20/h1-5,14H,(H2,25,26,27,28)"	"RGNPBRKPHBKNKX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"86541-74-4"	"DTXSID9045922"	"Benazepril hydrochloride"	"EPA_DSSTox"	"CCOC(=O)C(CCC1C=CC=CC=1)NC1CCC2C=CC=CC=2N(CC(O)=O)C1=O"	"Cl"	"InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)"	"XPCFTKFZXHTYIP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"86553-26-6"	"DTXSID70235660"	"Carbamic acid, (7-(3,6-dihydro-1(2H)-pyridinyl)-2-oxo-2H-(1,2,4)oxadiazolo(2,3-c)pyrimidin-5-yl)-, 2-methylpropyl ester"	"EPA_DSSTox"	"CC(C)COC(=O)NC1=NC(=CC2=NC(=O)ON21)N1CC=CCC1"	"?"	"InChI=1S/C15H19N5O4/c1-10(2)9-23-14(21)18-13-16-11(19-6-4-3-5-7-19)8-12-17-15(22)24-20(12)13/h3-4,8,10H,5-7,9H2,1-2H3,(H,16,18,21)"	"MWWOXOPFRZUERC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"86598-92-7"	"DTXSID7058204"	"Imibenconazole"	"EPA_DSSTox"	"ClC1C=C(Cl)C(=CC=1)N=C(CN1C=NC=N1)SCC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C17H13Cl3N4S/c18-13-3-1-12(2-4-13)9-25-17(8-24-11-21-10-22-24)23-16-6-5-14(19)7-15(16)20/h1-7,10-11H,8-9H2"	"AGKSTYPVMZODRV-UHFFFAOYSA-N"	FALSE	TRUE	2800	3	5
"866-82-0"	"DTXSID4058491"	"Cupric citrate"	"EPA_DSSTox"	"OC(=O)C(O)(CC(O)=O)CC(O)=O"	"[Cu+2].[Cu+2]"	"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)"	"KRKNYBCHXYNGOX-UHFFFAOYSA-N"	FALSE	FALSE	1580	3	4
"86604-75-3"	"DTXSID80470727"	"2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine--hydrogen chloride (1/1)"	"EPA_DSSTox"	"CC1C=NC(CCl)=C(C)C=1OC"	"Cl"	"InChI=1S/C9H12ClNO/c1-6-5-11-8(4-10)7(2)9(6)12-3/h5H,4H2,1-3H3"	"SRKVJDYNPSMHJM-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	NA
"86695-30-9"	"DTXSID40235773"	"Phosphoric acid, dibutyl ester, compd. with N,N-diethylethanamine (1:1)"	"EPA_DSSTox"	"CCCCOP(O)(=O)OCCCC"	"N(CC)(CC)CC"	"InChI=1S/C8H19O4P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H,9,10)"	"JYFHYPJRHGVZDY-UHFFFAOYSA-N"	FALSE	TRUE	3525	3	5
"867-27-6"	"DTXSID6041840"	"Demeton-O-methyl"	"EPA_DSSTox"	"CCSCCOP(=S)(OC)OC"	"?"	"InChI=1S/C6H15O3PS2/c1-4-12-6-5-9-10(11,7-2)8-3/h4-6H2,1-3H3"	"ZVZQKNVMDKSGGF-UHFFFAOYSA-N"	FALSE	FALSE	75	2	3
"867-55-0"	"DTXSID00883597"	"Propanoic acid, 2-hydroxy-, lithium salt (1:1)"	"EPA_DSSTox"	"CC(O)C(O)=O"	"[Li+]"	"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)"	"JVTAAEKCZFNVCJ-UHFFFAOYSA-N"	FALSE	TRUE	2100	3	5
"86780-90-7"	"DTXSID9048649"	"Aranidipine"	"EPA_DSSTox"	"COC(=O)C1C(C(C(=O)OCC(C)=O)=C(C)NC=1C)C1=CC=CC=C1[N+]([O-])=O"	"?"	"InChI=1S/C19H20N2O7/c1-10(22)9-28-19(24)16-12(3)20-11(2)15(18(23)27-4)17(16)13-7-5-6-8-14(13)21(25)26/h5-8,17,20H,9H2,1-4H3"	"NCUCGYYHUFIYNU-UHFFFAOYSA-N"	FALSE	FALSE	1459	3	4
"86790-29-6"	NA	NA	"Public_CrossChecked"	"CC(C)(C)C1CCC(CC1)C1C(=O)C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C20H24O3/c1-20(2,3)13-10-8-12(9-11-13)16-17(21)14-6-4-5-7-15(14)18(22)19(16)23/h4-7,12-13,16H,8-11H2,1-3H3"	"KNSZLVYFDRXIPI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"868-59-7"	"DTXSID4046527"	"Ethyl L-cysteinate hydrochloride"	"EPA_DSSTox"	"CCOC(=O)C(N)CS"	"Cl"	"InChI=1S/C5H11NO2S/c1-2-8-5(7)4(6)3-9/h4,9H,2-3,6H2,1H3"	"YVKSGVDJQXLXDV-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"86803-90-9"	"DTXSID6052586"	"5-Methoxyoctahydro-1H-4,7-methanoindene-2-carbaldehyde"	"EPA_DSSTox"	"COC1CC2CC1C1CC(CC21)C=O"	"?"	"InChI=1S/C12H18O2/c1-14-12-5-8-4-11(12)10-3-7(6-13)2-9(8)10/h6-12H,2-5H2,1H3"	"UOGMZEGKCNHMBF-UHFFFAOYSA-N"	FALSE	TRUE	2800	3	5
"86827-84-1"	NA	NA	"Public_CrossChecked"	"O=C(OCCN1CCOCC1)C1=CC=CN=C1NC1C=CC=C(C=1)C(F)(F)F"	"?"	"InChI=1S/C19H20F3N3O3/c20-19(21,22)14-3-1-4-15(13-14)24-17-16(5-2-6-23-17)18(26)28-12-9-25-7-10-27-11-8-25/h1-6,13H,7-12H2,(H,23,24)"	"LDXSPUSKBDTEKA-UHFFFAOYSA-N"	FALSE	TRUE	4301	3	5
"86832-68-0"	"DTXSID1046712"	"Carumonam sodium"	"EPA_DSSTox"	"NC(=O)OCC1C(NC(=O)C(=NOCC(O)=O)C2=CSC(N)=N2)C(=O)N1S(O)(=O)=O"	"[Na+].[Na+]"	"InChI=1S/C12H14N6O10S2/c13-11-15-4(3-29-11)7(17-28-2-6(19)20)9(21)16-8-5(1-27-12(14)23)18(10(8)22)30(24,25)26/h3,5,8H,1-2H2,(H2,13,15)(H2,14,23)(H,16,21)(H,19,20)(H,24,25,26)"	"UIMOJFJSJSIGLV-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"869-24-9"	"DTXSID1029203"	"1-Chloro-2-(diethylamine)ethane hydrochloride"	"EPA_DSSTox"	"CCN(CCCl)CC"	"Cl"	"InChI=1S/C6H14ClN/c1-3-8(4-2)6-5-7/h3-6H2,1-2H3"	"YMDNODNLFSHHCV-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"869-29-4"	"DTXSID8041450"	"2-Propene-1,1-diol diacetate"	"EPA_DSSTox"	"CC(=O)OC(C=C)OC(C)=O"	"?"	"InChI=1S/C7H10O4/c1-4-7(10-5(2)8)11-6(3)9/h4,7H,1H2,2-3H3"	"TXECTBGVEUDNSL-UHFFFAOYSA-N"	TRUE	FALSE	35	1	2
"86960-46-5"	"DTXSID60394134"	"4-decanoyloxybenzoic Acid"	"EPA_DSSTox"	"CCCCCCCCCC(=O)OC1C=CC(=CC=1)C(O)=O"	"?"	"InChI=1S/C17H24O4/c1-2-3-4-5-6-7-8-9-16(18)21-15-12-10-14(11-13-15)17(19)20/h10-13H,2-9H2,1H3,(H,19,20)"	"QTMHHQFADWIZCP-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"87-02-5"	"DTXSID7026520"	"7-Amino-4-hydroxynaphthalene-2-sulfonic acid"	"EPA_DSSTox"	"NC1C=C2C=C(C=C(O)C2=CC=1)S(O)(=O)=O"	"?"	"InChI=1S/C10H9NO4S/c11-7-1-2-9-6(3-7)4-8(5-10(9)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)"	"KYARBIJYVGJZLB-UHFFFAOYSA-N"	FALSE	TRUE	11500	4	5
"87-10-5"	"DTXSID4026181"	"Tribromsalan"	"EPA_DSSTox"	"OC1C(=CC(Br)=CC=1Br)C(=O)NC1C=CC(Br)=CC=1"	"?"	"InChI=1S/C13H8Br3NO2/c14-7-1-3-9(4-2-7)17-13(19)10-5-8(15)6-11(16)12(10)18/h1-6,18H,(H,17,19)"	"KVSKGMLNBAPGKH-UHFFFAOYSA-N"	FALSE	FALSE	410	2	4
"87-12-7"	"DTXSID1041500"	"4',5-Dibromosalicylanilide"	"EPA_DSSTox"	"OC1C=CC(Br)=CC=1C(=O)NC1C=CC(Br)=CC=1"	"?"	"InChI=1S/C13H9Br2NO2/c14-8-1-4-10(5-2-8)16-13(18)11-7-9(15)3-6-12(11)17/h1-7,17H,(H,16,18)"	"CTFFKFYWSOSIAA-UHFFFAOYSA-N"	FALSE	FALSE	410	2	4
"87-19-4"	"DTXSID3047186"	"Isobutyl salicylate"	"EPA_DSSTox"	"CC(C)COC(=O)C1=CC=CC=C1O"	"?"	"InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8,12H,7H2,1-2H3"	"PTXDBYSCVQQBNF-UHFFFAOYSA-N"	FALSE	FALSE	1560	3	4
"87-20-7"	"DTXSID9041655"	"Isoamyl salicylate"	"EPA_DSSTox"	"CC(C)CCOC(=O)C1C=CC=CC=1O"	"?"	"InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3"	"PMGCQNGBLMMXEW-UHFFFAOYSA-N"	FALSE	TRUE	3300	3	5
"87-25-2"	"DTXSID6025272"	"Ethyl anthranilate"	"EPA_DSSTox"	"CCOC(=O)C1C=CC=CC=1N"	"?"	"InChI=1S/C9H11NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2,10H2,1H3"	"TWLLPUMZVVGILS-UHFFFAOYSA-N"	FALSE	TRUE	3750	3	5
"87-29-6"	"DTXSID3020330"	"Cinnamyl anthranilate"	"EPA_DSSTox"	"NC1C=CC=CC=1C(=O)OCC=CC1C=CC=CC=1"	"?"	"InChI=1S/C16H15NO2/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-11H,12,17H2"	"GABQNAFEZZDSCM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"87-33-2"	"DTXSID0045832"	"Isosorbide dinitrate"	"EPA_DSSTox"	"[O-][N+](=O)OC1COC2C1OCC2O[N+]([O-])=O"	"?"	"InChI=1S/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2"	"MOYKHGMNXAOIAT-UHFFFAOYSA-N"	FALSE	FALSE	747	3	4
"87-56-9"	"DTXSID7020423"	"(2Z)-2,3-Dichloro-4-oxobut-2-enoic acid"	"EPA_DSSTox"	"OC(=O)C(Cl)=C(Cl)C=O"	"?"	"InChI=1S/C4H2Cl2O3/c5-2(1-7)3(6)4(8)9/h1H,(H,8,9)"	"LUMLZKVIXLWTCI-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"87-60-5"	"DTXSID3024815"	"3-Chloro-2-methylaniline"	"EPA_DSSTox"	"CC1=C(N)C=CC=C1Cl"	"?"	"InChI=1S/C7H8ClN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3"	"ZUVPLKVDZNDZCM-UHFFFAOYSA-N"	FALSE	FALSE	574	3	4
"87-61-6"	"DTXSID8026193"	"1,2,3-Trichlorobenzene"	"EPA_DSSTox"	"ClC1C=CC=C(Cl)C=1Cl"	"?"	"InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H"	"RELMFMZEBKVZJC-UHFFFAOYSA-N"	FALSE	FALSE	756	3	4
"87-62-7"	"DTXSID8026307"	"2,6-Dimethylaniline"	"EPA_DSSTox"	"CC1C=CC=C(C)C=1N"	"?"	"InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3"	"UFFBMTHBGFGIHF-UHFFFAOYSA-N"	FALSE	FALSE	840	3	4
"87-68-3"	"DTXSID7020683"	"Hexachloro-1,3-butadiene"	"EPA_DSSTox"	"ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl"	"?"	"InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10"	"RWNKSTSCBHKHTB-UHFFFAOYSA-N"	FALSE	FALSE	82	2	3
"87-69-4"	"DTXSID8023632"	"L-Tartaric acid"	"EPA_DSSTox"	"OC(=O)C(O)C(O)C(O)=O"	"?"	"InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)"	"FEWJPZIEWOKRBE-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"87-84-3"	"DTXSID4025828"	"Pentabromochlorocyclohexane"	"EPA_DSSTox"	"ClC1C(Br)C(Br)C(Br)C(Br)C1Br"	"?"	"InChI=1S/C6H6Br5Cl/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H"	"UZOSVZSBPTTWIG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"87-86-5"	"DTXSID7021106"	"Pentachlorophenol"	"EPA_DSSTox"	"OC1C(Cl)=C(Cl)C(Cl)=C(Cl)C=1Cl"	"?"	"InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H"	"IZUPBVBPLAPZRR-UHFFFAOYSA-N"	TRUE	FALSE	38.5	1	2
"87-90-1"	"DTXSID2026523"	"Symclosene"	"EPA_DSSTox"	"O=C1N(Cl)C(=O)N(Cl)C(=O)N1Cl"	"?"	"InChI=1S/C3Cl3N3O3/c4-7-1(10)8(5)3(12)9(6)2(7)11"	"YRIZYWQGELRKNT-UHFFFAOYSA-N"	FALSE	FALSE	406	2	4
"87-97-8"	"DTXSID40236043"	"Ethyl 762"	"EPA_DSSTox"	"CC(C)(C)C1=CC(COC)=CC(=C1O)C(C)(C)C"	"?"	"InChI=1S/C16H26O2/c1-15(2,3)12-8-11(10-18-7)9-13(14(12)17)16(4,5)6/h8-9,17H,10H2,1-7H3"	"SCXYLTWTWUGEAA-UHFFFAOYSA-N"	FALSE	TRUE	10650	4	5
"87-99-0"	"DTXSID7042514"	"Xylitol"	"EPA_DSSTox"	"OC(C(O)CO)C(O)CO"	"?"	"InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2"	"HEBKCHPVOIAQTA-UHFFFAOYSA-N"	FALSE	TRUE	14100	4	5
"870-72-4"	"DTXSID3027328"	"Sodium hydroxymethanesulfonate"	"EPA_DSSTox"	"OCS(O)(=O)=O"	"[Na+]"	"InChI=1S/CH4O4S/c2-1-6(3,4)5/h2H,1H2,(H,3,4,5)"	"DETXZQGDWUJKMO-UHFFFAOYSA-N"	FALSE	TRUE	3200	3	5
"87061-04-9"	"DTXSID20868962"	"1,2-Propanediol, 3-[[5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-"	"EPA_DSSTox"	"CC(C)C1CCC(C)CC1OCC(O)CO"	"?"	"InChI=1S/C13H26O3/c1-9(2)12-5-4-10(3)6-13(12)16-8-11(15)7-14/h9-15H,4-8H2,1-3H3"	"MDVYIGJINBYKOM-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"871-22-7"	"DTXSID00236125"	"Acetaldehyde, dibutyl acetal"	"EPA_DSSTox"	"CC(OCCCC)OCCCC"	"?"	"InChI=1S/C10H22O2/c1-4-6-8-11-10(3)12-9-7-5-2/h10H,4-9H2,1-3H3"	"SWTCCCJQNPGXLQ-UHFFFAOYSA-N"	FALSE	TRUE	8790	4	5
"87130-20-9"	"DTXSID5037527"	"Diethofencarb"	"EPA_DSSTox"	"CC(C)OC(=O)NC1=CC(OCC)=C(C=C1)OCC"	"?"	"InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)"	"LNJNFVJKDJYTEU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"872-36-6"	"DTXSID1074888"	"1,3-Dioxol-2-one"	"EPA_DSSTox"	"O=C1OC=CO1"	"?"	"InChI=1S/C3H2O3/c4-3-5-1-2-6-3/h1-2H"	"VAYTZRYEBVHVLE-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"872-50-4"	"DTXSID6020856"	"N-Methyl-2-pyrrolidone"	"EPA_DSSTox"	"CN1CCCC1=O"	"?"	"InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3"	"SECXISVLQFMRJM-UHFFFAOYSA-N"	FALSE	TRUE	3914	3	5
"872-85-5"	"DTXSID1061237"	"4-Pyridinecarboxaldehyde"	"EPA_DSSTox"	"O=CC1C=CN=CC=1"	"?"	"InChI=1S/C6H5NO/c8-5-6-1-3-7-4-2-6/h1-5H"	"BGUWFUQJCDRPTL-UHFFFAOYSA-N"	FALSE	TRUE	2167	3	5
"87237-48-7"	"DTXSID9058492"	"Haloxyfop-etotyl"	"EPA_DSSTox"	"CCOCCOC(=O)C(C)OC1C=CC(=CC=1)OC1=NC=C(C=C1Cl)C(F)(F)F"	"?"	"InChI=1S/C19H19ClF3NO5/c1-3-26-8-9-27-18(25)12(2)28-14-4-6-15(7-5-14)29-17-16(20)10-13(11-24-17)19(21,22)23/h4-7,10-12H,3,8-9H2,1-2H3"	"MIJLZGZLQLAQCM-UHFFFAOYSA-N"	FALSE	FALSE	518	3	4
"87238-52-6"	NA	NA	"Public_CrossChecked"	"CC(=O)OCOC(=O)C1=C(COC(N)=O)SC2C(C(C)O)C(=O)N12"	"?"	"InChI=1S/C13H16N2O8S/c1-5(16)8-10(18)15-9(12(19)23-4-22-6(2)17)7(24-11(8)15)3-21-13(14)20/h5,8,11,16H,3-4H2,1-2H3,(H2,14,20)"	"FZKGLCPKPZBGLX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"87239-81-4"	"DTXSID1022766"	"Cefpodoxime proxetil"	"EPA_DSSTox"	"CC(C)OC(=O)OC(C)OC(=O)C1=C(CSC2C(NC(=O)C(=NOC)C3=CSC(N)=N3)C(=O)N12)COC"	"?"	"InChI=1S/C21H27N5O9S2/c1-9(2)33-21(30)35-10(3)34-19(29)15-11(6-31-4)7-36-18-14(17(28)26(15)18)24-16(27)13(25-32-5)12-8-37-20(22)23-12/h8-10,14,18H,6-7H2,1-5H3,(H2,22,23)(H,24,27)"	"LTINZAODLRIQIX-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"873-32-5"	"DTXSID5052593"	"2-Chlorobenzonitrile"	"EPA_DSSTox"	"N#CC1C=CC=CC=1Cl"	"?"	"InChI=1S/C7H4ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H"	"NHWQMJMIYICNBP-UHFFFAOYSA-N"	FALSE	FALSE	396	2	4
"87310-56-3"	"DTXSID7058206"	"Butenachlor"	"EPA_DSSTox"	"CC=CCOCN(C(=O)CCl)C1C(CC)=CC=CC=1CC"	"?"	"InChI=1S/C17H24ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h4,7-10H,5-6,11-13H2,1-3H3"	"HZDIJTXDRLNTIS-UHFFFAOYSA-N"	FALSE	FALSE	1630	3	4
"87333-19-5"	"DTXSID8023551"	"Ramipril"	"EPA_DSSTox"	"CC(NC(CCC1C=CC=CC=1)C(=O)OCC)C(=O)N1C2CCCC2CC1C(O)=O"	"?"	"InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)"	"HDACQVRGBOVJII-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"87344-06-7"	"DTXSID50236291"	"Amtolmetin guacil"	"EPA_DSSTox"	"CC1C=CC(=CC=1)C(=O)C1=CC=C(CC(=O)NCC(=O)OC2=CC=CC=C2OC)N1C"	"?"	"InChI=1S/C24H24N2O5/c1-16-8-10-17(11-9-16)24(29)19-13-12-18(26(19)2)14-22(27)25-15-23(28)31-21-7-5-4-6-20(21)30-3/h4-13H,14-15H2,1-3H3,(H,25,27)"	"CWJNMKKMGIAGDK-UHFFFAOYSA-N"	FALSE	FALSE	1450	3	4
"87344-11-4"	"DTXSID10236292"	"Benzoic acid, 4-(((1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)acetyl)amino)-, ethyl ester"	"EPA_DSSTox"	"CC1C=CC(=CC=1)C(=O)C1=CC=C(CC(=O)NC2C=CC(=CC=2)C(=O)OCC)N1C"	"?"	"InChI=1S/C24H24N2O4/c1-4-30-24(29)18-9-11-19(12-10-18)25-22(27)15-20-13-14-21(26(20)3)23(28)17-7-5-16(2)6-8-17/h5-14H,4,15H2,1-3H3,(H,25,27)"	"ILIYQAMHUPBRHY-UHFFFAOYSA-N"	FALSE	FALSE	1800	3	4
"87344-16-9"	"DTXSID70236293"	"1H-Pyrrole-2-acetic acid, 1-methyl-5-(4-methylbenzoyl)-, 2-(2-(4-methyl-1-piperazinyl)-2-oxoethyl)hydrazide"	"EPA_DSSTox"	"CC1C=CC(=CC=1)C(=O)C1=CC=C(CC(=O)NNCC(=O)N2CCN(C)CC2)N1C"	"?"	"InChI=1S/C22H29N5O3/c1-16-4-6-17(7-5-16)22(30)19-9-8-18(26(19)3)14-20(28)24-23-15-21(29)27-12-10-25(2)11-13-27/h4-9,23H,10-15H2,1-3H3,(H,24,28)"	"RNUOEJBMWCKBAJ-UHFFFAOYSA-N"	FALSE	FALSE	978	3	4
"87359-33-9"	NA	NA	"Public_CrossChecked"	"CS(=O)C1=CC(OC)=C(C=C1)C1NC2C=NC=CC=2N=1"	"?"	"InChI=1S/C14H13N3O2S/c1-19-13-7-9(20(2)18)3-4-10(13)14-16-11-5-6-15-8-12(11)17-14/h3-8H,1-2H3,(H,16,17)"	"JQUKCPUPFALELS-UHFFFAOYSA-N"	FALSE	FALSE	132	2	3
"873888-84-7"	"DTXSID70889223"	"Benzoic acid, 2-hydroxy-, (3Z)-1-methyl-3-hexen-1-yl ester"	"EPA_DSSTox"	"CCC=CCC(C)OC(=O)C1C=CC=CC=1O"	"?"	"InChI=1S/C14H18O3/c1-3-4-5-8-11(2)17-14(16)12-9-6-7-10-13(12)15/h4-7,9-11,15H,3,8H2,1-2H3"	"AWFJMMINHWORIB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"873888-85-8"	"DTXSID10737335"	"Hept-4-en-2-yl 2-hydroxybenzoate"	"EPA_DSSTox"	"CCC=CCC(C)OC(=O)C1=CC=CC=C1O"	"?"	"InChI=1S/C14H18O3/c1-3-4-5-8-11(2)17-14(16)12-9-6-7-10-13(12)15/h4-7,9-11,15H,3,8H2,1-2H3"	"AWFJMMINHWORIB-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"874-66-8"	"DTXSID5061247"	"2-Propenal, 3-(2-furanyl)-2-methyl-"	"EPA_DSSTox"	"CC(=CC1=CC=CO1)C=O"	"?"	"InChI=1S/C8H8O2/c1-7(6-9)5-8-3-2-4-10-8/h2-6H,1H3"	"ZNBXZUKDRRRQJK-UHFFFAOYSA-N"	FALSE	FALSE	1400	3	4
"874195-61-6"	"DTXSID70236339"	"Triafamone [ISO]"	"EPA_DSSTox"	"COC1N=C(N=C(N=1)OC)C(=O)C1=CC=CC(F)=C1N(C)S(=O)(=O)C(F)(F)F"	"?"	"InChI=1S/C14H12F4N4O5S/c1-22(28(24,25)14(16,17)18)9-7(5-4-6-8(9)15)10(23)11-19-12(26-2)21-13(20-11)27-3/h4-6H,1-3H3"	"OITZMPIXCYYBAL-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"87429-91-2"	NA	NA	"Public_CrossChecked"	"OC1C=CC(=CC=1)C(O)CN1CCN(CC1)C(C1C=CC=CC=1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C25H28N2O2/c28-23-13-11-20(12-14-23)24(29)19-26-15-17-27(18-16-26)25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,24-25,28-29H,15-19H2"	"GFSURARAIBJHTM-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"87459-76-5"	"DTXSID60236348"	"Methionine, N-(3-mercaptopropionyl)-, thiobenzoate (ester)"	"EPA_DSSTox"	"CSCCC(NC(=O)CCSC(=O)C1C=CC=CC=1)C(O)=O"	"?"	"InChI=1S/C15H19NO4S2/c1-21-9-7-12(14(18)19)16-13(17)8-10-22-15(20)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,16,17)(H,18,19)"	"VEPQNNJPTNROPK-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"874819-71-3"	"DTXSID40470389"	"(2-Nitrophenyl)-phosphoric triamide"	"EPA_DSSTox"	"NP(N)(=O)NC1=CC=CC=C1[N+]([O-])=O"	"?"	"InChI=1S/C6H9N4O3P/c7-14(8,13)9-5-3-1-2-4-6(5)10(11)12/h1-4H,(H5,7,8,9,13)"	"GDPVISFVPDYFPN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"875-28-5"	NA	NA	"Public_CrossChecked"	"OC(=O)C1=CC=CC(O)=C1O"	"[Na+]"	"InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)"	"GLDQAMYCGOIJDV-UHFFFAOYSA-N"	FALSE	FALSE	1800	3	4
"876-85-7"	"DTXSID30236512"	"4-Pyridinemethanol, 3-hydroxy-5-(mercaptomethyl)-2-methyl-, hydrochloride"	"EPA_DSSTox"	"CC1=NC=C(CS)C(CO)=C1O"	"Cl"	"InChI=1S/C8H11NO2S/c1-5-8(11)7(3-10)6(4-12)2-9-5/h2,10-12H,3-4H2,1H3"	"JXYDRIBYAKJTIW-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"87674-68-8"	"DTXSID4032376"	"Dimethenamid"	"EPA_DSSTox"	"CC1SC=C(C)C=1N(C(C)COC)C(=O)CCl"	"?"	"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"	FALSE	FALSE	397	2	4
"87679-37-6"	"DTXSID2023692"	"Trandolapril"	"EPA_DSSTox"	"CC(NC(CCC1C=CC=CC=1)C(=O)OCC)C(=O)N1C2CCCCC2CC1C(O)=O"	"?"	"InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)"	"VXFJYXUZANRPDJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"87691-92-7"	"DTXSID50236559"	"Tiospirone hydrochloride"	"EPA_DSSTox"	"O=C1CC2(CC(=O)N1CCCCN1CCN(CC1)C1=NSC3=CC=CC=C31)CCCC2"	"Cl"	"InChI=1S/C24H32N4O2S/c29-21-17-24(9-3-4-10-24)18-22(30)28(21)12-6-5-11-26-13-15-27(16-14-26)23-19-7-1-2-8-20(19)31-25-23/h1-2,7-8H,3-6,9-18H2"	"ZFZPJDFBJFHYIV-UHFFFAOYSA-N"	FALSE	FALSE	1850	3	4
"877-24-7"	"DTXSID0042167"	"Monopotassium phthalate"	"EPA_DSSTox"	"OC(=O)C1C=CC=CC=1C(O)=O"	"[K+]"	"InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)"	"XNGIFLGASWRNHJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"877179-04-9"	"DTXSID60468783"	"3',4'-Dichloro-5-fluoro-[1,1'-biphenyl]-2-amine"	"EPA_DSSTox"	"NC1=CC=C(F)C=C1C1=CC(Cl)=C(Cl)C=C1"	"?"	"InChI=1S/C12H8Cl2FN/c13-10-3-1-7(5-11(10)14)9-6-8(15)2-4-12(9)16/h1-6H,16H2"	"QUVGVAKQHNJQNN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"877399-00-3"	"DTXSID10470674"	"(R)-5-Bromo-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)pyridin-2-amine"	"EPA_DSSTox"	"CC(OC1=CC(Br)=CN=C1N)C1C(Cl)=C(F)C=CC=1Cl"	"?"	"InChI=1S/C13H10BrCl2FN2O/c1-6(11-8(15)2-3-9(17)12(11)16)20-10-4-7(14)5-19-13(10)18/h2-6H,1H3,(H2,18,19)"	"URFUZAZEKBBCEY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"87757-18-4"	NA	NA	"Public_CrossChecked"	"CC(OC1C=CC(=CC=1)OC1=NC=C(Cl)C=C1Cl)C(=O)N1CCCO1"	"?"	"InChI=1S/C17H16Cl2N2O4/c1-11(17(22)21-7-2-8-23-21)24-13-3-5-14(6-4-13)25-16-15(19)9-12(18)10-20-16/h3-6,9-11H,2,7-8H2,1H3"	"ANFHKXSOSRDDRQ-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"87767-36-0"	NA	NA	"Public_CrossChecked"	"CN(SN(C)C(=O)OC1C=CC=CC=1OC(=O)N(C)SN(C)C(=O)ON=C(C)SC)C(=O)ON=C(C)SC"	"?"	"InChI=1S/C20H28N6O8S4/c1-13(35-7)21-33-19(29)25(5)37-23(3)17(27)31-15-11-9-10-12-16(15)32-18(28)24(4)38-26(6)20(30)34-22-14(2)36-8/h9-12H,1-8H3"	"JCVVYFRYPSZIBD-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"87767-48-4"	NA	NA	"Public_CrossChecked"	"CC(C)(C1C=CC(=CC=1)OC(=O)N(C)SN(C)C(=O)ON=C1CSCCS1)C1C=CC(=CC=1)OC(=O)N(C)SN(C)C(=O)ON=C1CSCCS1"	"?"	"InChI=1S/C31H38N6O8S6/c1-31(2,21-7-11-23(12-8-21)42-27(38)34(3)50-36(5)29(40)44-32-25-19-46-15-17-48-25)22-9-13-24(14-10-22)43-28(39)35(4)51-37(6)30(41)45-33-26-20-47-16-18-49-26/h7-14H,15-20H2,1-6H3"	"OEPNTWXGGNCJHX-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"87787-67-5"	"DTXSID5074636"	"Ethanol, 2-[2-[(1,1-dimethylethyl)amino]ethoxy]-"	"EPA_DSSTox"	"CC(C)(C)NCCOCCO"	"?"	"InChI=1S/C8H19NO2/c1-8(2,3)9-4-6-11-7-5-10/h9-10H,4-7H2,1-3H3"	"YDEDDFNFQOPRQJ-UHFFFAOYSA-N"	FALSE	FALSE	1395.61	3	4
"87792-13-0"	"DTXSID50236635"	"SP 123"	"EPA_DSSTox"	"CCCCC1=C(OC(=O)C23CC4CC(C2)CC(C3)C4)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O"	"?"	"InChI=1S/C30H34N2O3/c1-2-3-14-26-27(33)31(24-10-6-4-7-11-24)32(25-12-8-5-9-13-25)28(26)35-29(34)30-18-21-15-22(19-30)17-23(16-21)20-30/h4-13,21-23H,2-3,14-20H2,1H3"	"FOBIEMIYPMYDIM-UHFFFAOYSA-N"	FALSE	FALSE	1698	3	4
"87792-14-1"	"DTXSID10236636"	"SP 124"	"EPA_DSSTox"	"CCCCC1=C(OC(=O)C2=CC=CS2)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O"	"?"	"InChI=1S/C24H22N2O3S/c1-2-3-15-20-22(27)25(18-11-6-4-7-12-18)26(19-13-8-5-9-14-19)23(20)29-24(28)21-16-10-17-30-21/h4-14,16-17H,2-3,15H2,1H3"	"KGZGBODIIMWEDY-UHFFFAOYSA-N"	FALSE	FALSE	1175	3	4
"87792-15-2"	"DTXSID70236637"	"SP 125"	"EPA_DSSTox"	"CCCCC1=C(OC(=O)C2C=C3OCOC3=CC=2)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O"	"?"	"InChI=1S/C27H24N2O5/c1-2-3-14-22-25(30)28(20-10-6-4-7-11-20)29(21-12-8-5-9-13-21)26(22)34-27(31)19-15-16-23-24(17-19)33-18-32-23/h4-13,15-17H,2-3,14,18H2,1H3"	"RMPOBZVILCTPIS-UHFFFAOYSA-N"	FALSE	FALSE	1373	3	4
"87798-85-4"	"DTXSID90236639"	"Theophylline, 7-(4-(4-(p-chlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride"	"EPA_DSSTox"	"CN1C(=O)C2=C(N=CN2CCCCN2CCN(CC2)C2C=CC(Cl)=CC=2)N(C)C1=O"	"Cl.Cl"	"InChI=1S/C21H27ClN6O2/c1-24-19-18(20(29)25(2)21(24)30)28(15-23-19)10-4-3-9-26-11-13-27(14-12-26)17-7-5-16(22)6-8-17/h5-8,15H,3-4,9-14H2,1-2H3"	"GGIFIKRJXXGESV-UHFFFAOYSA-N"	FALSE	FALSE	505	3	4
"87820-88-0"	"DTXSID1034973"	"Tralkoxydim"	"EPA_DSSTox"	"CC1C=C(C)C=C(C)C=1C1CC(O)=C(C(=O)C1)C(CC)=NOCC"	"?"	"InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,22H,6-7,10-11H2,1-5H3"	"DQFPEYARZIQXRM-UHFFFAOYSA-N"	FALSE	FALSE	934	3	4
"87957-27-5"	"DTXSID40236725"	"Phosphonium, (carbonylbis(iminomethylene))bis(tris(hydroxymethyl)-"	"EPA_DSSTox"	"OC[P+](CNC(=O)NC[P+](CO)(CO)CO)(CO)CO"	"?"	"InChI=1S/C9H23N2O7P2/c12-3-19(4-13,5-14)1-10-9(18)11-2-20(6-15,7-16)8-17/h12-17H,1-8H2,(H-,10,11,18)/q+1/p+1"	"GFBDYLUWSMRLAC-UHFFFAOYSA-O"	FALSE	FALSE	245	2	3
"88-05-1"	"DTXSID5043847"	"2,4,6-Trimethylaniline"	"EPA_DSSTox"	"CC1C=C(C)C=C(C)C=1N"	"?"	"InChI=1S/C9H13N/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,10H2,1-3H3"	"KWVPRPSXBZNOHS-UHFFFAOYSA-N"	FALSE	FALSE	743	3	4
"88-06-2"	"DTXSID5021386"	"2,4,6-Trichlorophenol"	"EPA_DSSTox"	"OC1C(Cl)=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H"	"LINPIYWFGCPVIE-UHFFFAOYSA-N"	FALSE	FALSE	820	3	4
"88-09-5"	"DTXSID2041418"	"2-Ethylbutyric acid"	"EPA_DSSTox"	"CCC(CC)C(O)=O"	"?"	"InChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)"	"OXQGTIUCKGYOAA-UHFFFAOYSA-N"	FALSE	TRUE	2200	3	5
"88-17-5"	"DTXSID7058961"	"o-(Trifluoromethyl)aniline"	"EPA_DSSTox"	"NC1C=CC=CC=1C(F)(F)F"	"?"	"InChI=1S/C7H6F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H,11H2"	"VBLXCTYLWZJBKA-UHFFFAOYSA-N"	FALSE	FALSE	1870	3	4
"88-18-6"	"DTXSID2026525"	"2-tert-Butylphenol"	"EPA_DSSTox"	"CC(C)(C)C1C=CC=CC=1O"	"?"	"InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3"	"WJQOZHYUIDYNHM-UHFFFAOYSA-N"	FALSE	FALSE	440	2	4
"88-19-7"	"DTXSID7021362"	"o-Toluenesulfonamide"	"EPA_DSSTox"	"CC1C=CC=CC=1S(N)(=O)=O"	"?"	"InChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)"	"YCMLQMDWSXFTIF-UHFFFAOYSA-N"	FALSE	TRUE	2400	3	5
"88-24-4"	"DTXSID7038864"	"2,2'-Methylenebis(ethyl-6-tert-butylphenol)"	"EPA_DSSTox"	"CC(C)(C)C1=CC(CC)=CC(CC2C=C(CC)C=C(C=2O)C(C)(C)C)=C1O"	"?"	"InChI=1S/C25H36O2/c1-9-16-11-18(22(26)20(13-16)24(3,4)5)15-19-12-17(10-2)14-21(23(19)27)25(6,7)8/h11-14,26-27H,9-10,15H2,1-8H3"	"GPNYZBKIGXGYNU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"88-27-7"	"DTXSID0044997"	"2,6-Di-tert-butyl-4-[(dimethylamino)methyl]phenol"	"EPA_DSSTox"	"CC(C)(C)C1=CC(CN(C)C)=CC(=C1O)C(C)(C)C"	"?"	"InChI=1S/C17H29NO/c1-16(2,3)13-9-12(11-18(7)8)10-14(15(13)19)17(4,5)6/h9-10,19H,11H2,1-8H3"	"VMZVBRIIHDRYGK-UHFFFAOYSA-N"	FALSE	FALSE	365	2	4
"88-29-9"	"DTXSID3041582"	"Acetylethyltetramethyltetralin"	"EPA_DSSTox"	"CC(=O)C1=CC2=C(C=C1CC)C(C)(C)CCC2(C)C"	"?"	"InChI=1S/C18H26O/c1-7-13-10-15-16(11-14(13)12(2)19)18(5,6)9-8-17(15,3)4/h10-11H,7-9H2,1-6H3"	"KSEZPRJUTHMFGZ-UHFFFAOYSA-N"	FALSE	FALSE	260	2	3
"88-38-0"	NA	NA	"Public_CrossChecked"	"OS(=O)(=O)C1C=C(C=CC=1C=CC1C=CC(=CC=1S(O)(=O)=O)NC1=NC(NC2C=CC=CC=2)=NC(NC2C=CC=CC=2)=N1)NC1=NC(NC2C=CC=CC=2)=NC(NC2C=CC=CC=2)=N1"	"?"	"InChI=1S/C44H36N12O6S2/c57-63(58,59)37-27-35(49-43-53-39(45-31-13-5-1-6-14-31)51-40(54-43)46-32-15-7-2-8-16-32)25-23-29(37)21-22-30-24-26-36(28-38(30)64(60,61)62)50-44-55-41(47-33-17-9-3-10-18-33)52-42(56-44)48-34-19-11-4-12-20-34/h1-28H,(H,57,58,59)(H,60,61,62)(H3,45,46,49,51,53,54)(H3,47,48,50,52,55,56)"	"HRHCYUBSBRXMIN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"88-44-8"	"DTXSID7026526"	"2-Amino-5-methylbenzenesulfonic acid"	"EPA_DSSTox"	"CC1C=C(C(N)=CC=1)S(O)(=O)=O"	"?"	"InChI=1S/C7H9NO3S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)"	"LTPSRQRIPCVMKQ-UHFFFAOYSA-N"	FALSE	TRUE	11700	4	5
"88-51-7"	"DTXSID2026527"	"2-Amino-4-chloro-5-methylbenzenesulfonic acid"	"EPA_DSSTox"	"CC1C=C(C(N)=CC=1Cl)S(O)(=O)=O"	"?"	"InChI=1S/C7H8ClNO3S/c1-4-2-7(13(10,11)12)6(9)3-5(4)8/h2-3H,9H2,1H3,(H,10,11,12)"	"VRLPHBSFRWMMPW-UHFFFAOYSA-N"	FALSE	TRUE	12300	4	5
"88-60-8"	"DTXSID2026529"	"2-tert-Butyl-5-methylphenol"	"EPA_DSSTox"	"CC1C=CC(=C(O)C=1)C(C)(C)C"	"?"	"InChI=1S/C11H16O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7,12H,1-4H3"	"XOUQAVYLRNOXDO-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	NA
"88-63-1"	"DTXSID3044465"	"2,4-Diaminobenzenesulfonic acid"	"EPA_DSSTox"	"NC1C=C(N)C(=CC=1)S(O)(=O)=O"	"?"	"InChI=1S/C6H8N2O3S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,7-8H2,(H,9,10,11)"	"JVMSQRAXNZPDHF-UHFFFAOYSA-N"	FALSE	TRUE	3480	3	5
"88-73-3"	"DTXSID0020280"	"1-Chloro-2-nitrobenzene"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC=CC=1Cl"	"?"	"InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H"	"BFCFYVKQTRLZHA-UHFFFAOYSA-N"	FALSE	FALSE	251	2	3
"88-74-4"	"DTXSID1025726"	"2-Nitroaniline"	"EPA_DSSTox"	"NC1=CC=CC=C1[N+]([O-])=O"	"?"	"InChI=1S/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2"	"DPJCXCZTLWNFOH-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"88-75-5"	"DTXSID1021790"	"2-Nitrophenol"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC=CC=1O"	"?"	"InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H"	"IQUPABOKLQSFBK-UHFFFAOYSA-N"	FALSE	FALSE	334	2	4
"88-85-7"	"DTXSID3020207"	"Dinoseb"	"EPA_DSSTox"	"CCC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3"	"OWZPCEFYPSAJFR-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"88-89-1"	"DTXSID4025909"	"Picric acid"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC(=C(O)C(=C1)[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H"	"OXNIZHLAWKMVMX-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"88-99-3"	"DTXSID8021484"	"Phthalic acid"	"EPA_DSSTox"	"OC(=O)C1=CC=CC=C1C(O)=O"	"?"	"InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)"	"XNGIFLGASWRNHJ-UHFFFAOYSA-N"	FALSE	TRUE	7900	4	5
"88045-98-1"	"DTXSID00236766"	"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(5,6-dihydro-1,4-dioxin-2-yl)-2,6-dimethyl-, diethyl ester"	"EPA_DSSTox"	"CC1NC(C)=C(C(C2=COCCO2)C=1C(=O)OCC)C(=O)OCC"	"?"	"InChI=1S/C17H23NO6/c1-5-22-16(19)13-10(3)18-11(4)14(17(20)23-6-2)15(13)12-9-21-7-8-24-12/h9,15,18H,5-8H2,1-4H3"	"BEJLLWYCSDDQRG-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"88045-99-2"	"DTXSID60236767"	"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(5,6-dihydro-1,4-dioxin-2-yl)-2,6-dimethyl-, dipropyl ester"	"EPA_DSSTox"	"CC1NC(C)=C(C(C2=COCCO2)C=1C(=O)OCCC)C(=O)OCCC"	"?"	"InChI=1S/C19H27NO6/c1-5-7-25-18(21)15-12(3)20-13(4)16(19(22)26-8-6-2)17(15)14-11-23-9-10-24-14/h11,17,20H,5-10H2,1-4H3"	"MMPQZMGYRLFHMD-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"88046-00-8"	"DTXSID20236768"	"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(5,6-dihydro-1,4-dioxin-2-yl)-2,6-dimethyl-, dimethyl ester"	"EPA_DSSTox"	"CC1NC(C)=C(C(C2=COCCO2)C=1C(=O)OC)C(=O)OC"	"?"	"InChI=1S/C15H19NO6/c1-8-11(14(17)19-3)13(10-7-21-5-6-22-10)12(9(2)16-8)15(18)20-4/h7,13,16H,5-6H2,1-4H3"	"LZGBGZKCNXANHC-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"88069-67-4"	"DTXSID1046639"	"Pilsicainide"	"EPA_DSSTox"	"CC1C=CC=C(C)C=1NC(=O)CC12CCCN1CCC2"	"?"	"InChI=1S/C17H24N2O/c1-13-6-3-7-14(2)16(13)18-15(20)12-17-8-4-10-19(17)11-5-9-17/h3,6-7H,4-5,8-12H2,1-2H3,(H,18,20)"	"BCQTVJKBTWGHCX-UHFFFAOYSA-N"	FALSE	FALSE	255	2	3
"881-99-2"	"DTXSID00236822"	"Hexachlorometaxylol"	"EPA_DSSTox"	"ClC(Cl)(Cl)C1C=C(C=CC=1)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C8H4Cl6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-4H"	"GGZIUXGYCNYNNV-UHFFFAOYSA-N"	FALSE	TRUE	2924	3	5
"88107-10-2"	"DTXSID7020344"	"Tomelukast"	"EPA_DSSTox"	"CC(=O)C1C=CC(OCCCCC2NN=NN=2)=C(CCC)C=1O"	"?"	"InChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)"	"MWYHLEQJTQJHSS-UHFFFAOYSA-N"	FALSE	FALSE	650	3	4
"88124-27-0"	NA	NA	"Public_CrossChecked"	"CCOC1C2=CC=CC=C2N(C)C(=O)C2C=CC=CC=21"	"?"	"InChI=1S/C17H17NO2/c1-3-20-16-12-8-4-5-9-13(12)17(19)18(2)15-11-7-6-10-14(15)16/h4-11,16H,3H2,1-2H3"	"BLGFGFHRMMDRPC-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"88144-99-4"	NA	NA	"Public_CrossChecked"	"[O-][N+](=O)C1C=CC(=CC=1)OP(=O)(CCl)C1C=CC=CC=1"	"?"	"InChI=1S/C13H11ClNO4P/c14-10-20(18,13-4-2-1-3-5-13)19-12-8-6-11(7-9-12)15(16)17/h1-9H,10H2"	"KDRPNFGJOVCCSH-UHFFFAOYSA-N"	FALSE	FALSE	203	2	3
"88149-59-1"	"DTXSID90236856"	"1H-Pyrrole-2-acetic acid, 1-methyl-5-(4-methylbenzoyl)-, 2-methoxyphenyl ester"	"EPA_DSSTox"	"CC1C=CC(=CC=1)C(=O)C1=CC=C(CC(=O)OC2=CC=CC=C2OC)N1C"	"?"	"InChI=1S/C22H21NO4/c1-15-8-10-16(11-9-15)22(25)18-13-12-17(23(18)2)14-21(24)27-20-7-5-4-6-19(20)26-3/h4-13H,14H2,1-3H3"	"QVLFOXWWEVUHME-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"88150-62-3"	NA	NA	"Public_CrossChecked"	"CC1=NC(COCCN2C(=O)C3C=CC=CC=3C2=O)=C(C(C1C(=O)OC)C1C=CC=CC=1Cl)C(=O)OCC"	"?"	"InChI=1S/C28H27ClN2O7/c1-4-38-28(35)24-21(15-37-14-13-31-25(32)17-9-5-6-10-18(17)26(31)33)30-16(2)22(27(34)36-3)23(24)19-11-7-8-12-20(19)29/h5-12,22-23H,4,13-15H2,1-3H3"	"HRVXFLOSVLUJNF-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"882167-77-3"	"DTXSID20675759"	"4-Chloro-N-methylpyridine-2-carboxamide--hydrogen chloride (1/1)"	"EPA_DSSTox"	"CNC(=O)C1=CC(Cl)=CC=N1"	"Cl"	"InChI=1S/C7H7ClN2O/c1-9-7(11)6-4-5(8)2-3-10-6/h2-4H,1H3,(H,9,11)"	"BGVBBMZMEKXUTR-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"88283-41-4"	"DTXSID2042359"	"Pyrifenox"	"EPA_DSSTox"	"CON=C(CC1=CN=CC=C1)C1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C14H12Cl2N2O/c1-19-18-14(7-10-3-2-6-17-9-10)12-5-4-11(15)8-13(12)16/h2-6,8-9H,7H2,1H3"	"CKPCAYZTYMHQEX-UHFFFAOYSA-N"	FALSE	FALSE	1705	3	4
"88296-62-2"	NA	NA	"Public_CrossChecked"	"CN(C)C1(CCN(CC1)C1CCCCC1O)C(=O)NC1C(C)=CC=CC=1C"	"?"	"InChI=1S/C22H35N3O2/c1-16-8-7-9-17(2)20(16)23-21(27)22(24(3)4)12-14-25(15-13-22)18-10-5-6-11-19(18)26/h7-9,18-19,26H,5-6,10-15H2,1-4H3,(H,23,27)"	"MFKCGXDCHAFQQZ-UHFFFAOYSA-N"	TRUE	FALSE	4.83	1	1
"88321-09-9"	NA	NA	"Public_CrossChecked"	"CCOC(=O)C1OC1C(=O)NC(CC(C)C)C(=O)NCCC(C)C"	"?"	"InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)"	"SRVFFFJZQVENJC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"88338-63-0"	"DTXSID90236972"	"Chinoin 170"	"EPA_DSSTox"	"CC1=NC(CN2C=NC3=C2C(=O)N(C)C(=O)N3C)=NO1"	"?"	"InChI=1S/C11H12N6O3/c1-6-13-7(14-20-6)4-17-5-12-9-8(17)10(18)16(3)11(19)15(9)2/h5H,4H2,1-3H3"	"JBXSBZBZASARMY-UHFFFAOYSA-N"	FALSE	FALSE	1549	3	4
"884-49-1"	NA	NA	"Public_CrossChecked"	"O=S1(=O)CC(CC1)NNC1C=CC=CC=1"	"?"	"InChI=1S/C10H14N2O2S/c13-15(14)7-6-10(8-15)12-11-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2"	"RFTNJABYPCOMMW-UHFFFAOYSA-N"	FALSE	TRUE	2377	3	5
"88426-33-9"	"DTXSID4057849"	"Buparvaquone"	"EPA_DSSTox"	"CC(C)(C)C1CCC(CC2=C(O)C(=O)C3C=CC=CC=3C2=O)CC1"	"?"	"InChI=1S/C21H26O3/c1-21(2,3)14-10-8-13(9-11-14)12-17-18(22)15-6-4-5-7-16(15)19(23)20(17)24/h4-7,13-14,24H,8-12H2,1-3H3"	"KLLIVCPQDTYMLC-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"88430-50-6"	"DTXSID7049136"	"Beraprost"	"EPA_DSSTox"	"CC(CC#CC)C(O)C=CC1C2C(CC1O)OC1C(CCCC(O)=O)=CC=CC=12"	"?"	"InChI=1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)"	"CTPOHARTNNSRSR-UHFFFAOYSA-N"	TRUE	FALSE	12	1	2
"88475-55-2"	"DTXSID30237064"	"1H-Indole, dihydromethyl-"	"EPA_DSSTox"	"CN1CCC2=CC=CC=C12"	"?"	"InChI=1S/C9H11N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-5H,6-7H2,1H3"	"FIRXFHJQGIIJDB-UHFFFAOYSA-N"	FALSE	FALSE	1250	3	4
"88485-37-4"	"DTXSID5044998"	"Fluxofenim"	"EPA_DSSTox"	"FC(F)(F)C(=NOCC1OCCO1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C12H11ClF3NO3/c13-9-3-1-8(2-4-9)11(12(14,15)16)17-20-7-10-18-5-6-19-10/h1-4,10H,5-7H2"	"UKSLKNUCVPZQCQ-UHFFFAOYSA-N"	FALSE	FALSE	669	3	4
"88599-33-1"	"DTXSID40237171"	"Benzoic acid, 2-((aminocarbonyl)oxy)-, phenyl ester"	"EPA_DSSTox"	"NC(=O)OC1=CC=CC=C1C(=O)OC1C=CC=CC=1"	"?"	"InChI=1S/C14H11NO4/c15-14(17)19-12-9-5-4-8-11(12)13(16)18-10-6-2-1-3-7-10/h1-9H,(H2,15,17)"	"LTQGRTJHOFHMJC-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"88599-34-2"	"DTXSID00237172"	"Benzoic acid, 2-((aminocarbonyl)oxy)-, 3-pentadecylphenyl ester"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCC1C=CC=C(C=1)OC(=O)C1=CC=CC=C1OC(N)=O"	"?"	"InChI=1S/C29H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-19-17-20-25(23-24)33-28(31)26-21-15-16-22-27(26)34-29(30)32/h15-17,19-23H,2-14,18H2,1H3,(H2,30,32)"	"BXHQKJWGFMPOJS-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"88599-37-5"	"DTXSID60237173"	"Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, methyl ester"	"EPA_DSSTox"	"COC(=O)C1=CC(Cl)=CC=C1OC(N)=O"	"?"	"InChI=1S/C9H8ClNO4/c1-14-8(12)6-4-5(10)2-3-7(6)15-9(11)13/h2-4H,1H3,(H2,11,13)"	"OOOVIVZJBGEEBJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"88599-41-1"	"DTXSID80237175"	"Benzoic acid, 2-((aminocarbonyl)oxy)-, 1-methylethyl ester"	"EPA_DSSTox"	"CC(C)OC(=O)C1=CC=CC=C1OC(N)=O"	"?"	"InChI=1S/C11H13NO4/c1-7(2)15-10(13)8-5-3-4-6-9(8)16-11(12)14/h3-7H,1-2H3,(H2,12,14)"	"PPKPDEXFZGRPNQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"88599-42-2"	"DTXSID40237176"	"Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 1-methylethyl ester"	"EPA_DSSTox"	"CC(C)OC(=O)C1=CC(Cl)=CC=C1OC(N)=O"	"?"	"InChI=1S/C11H12ClNO4/c1-6(2)16-10(14)8-5-7(12)3-4-9(8)17-11(13)15/h3-6H,1-2H3,(H2,13,15)"	"BJIUVGLEVZTMHK-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"88599-43-3"	"DTXSID00237177"	"Benzoic acid, 2-((aminocarbonyl)oxy)-, butyl ester"	"EPA_DSSTox"	"CCCCOC(=O)C1=CC=CC=C1OC(N)=O"	"?"	"InChI=1S/C12H15NO4/c1-2-3-8-16-11(14)9-6-4-5-7-10(9)17-12(13)15/h4-7H,2-3,8H2,1H3,(H2,13,15)"	"JZWIHVYDENUJHO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"88599-47-7"	"DTXSID20237179"	"Benzoic acid, 2-((aminocarbonyl)oxy)-, 2-methylphenyl ester"	"EPA_DSSTox"	"CC1=CC=CC=C1OC(=O)C1=CC=CC=C1OC(N)=O"	"?"	"InChI=1S/C15H13NO4/c1-10-6-2-4-8-12(10)19-14(17)11-7-3-5-9-13(11)20-15(16)18/h2-9H,1H3,(H2,16,18)"	"CJKXQRMRKTTXIP-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"88599-48-8"	"DTXSID30237180"	"Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 2-methylphenyl ester"	"EPA_DSSTox"	"CC1=CC=CC=C1OC(=O)C1=CC(Cl)=CC=C1OC(N)=O"	"?"	"InChI=1S/C15H12ClNO4/c1-9-4-2-3-5-12(9)20-14(18)11-8-10(16)6-7-13(11)21-15(17)19/h2-8H,1H3,(H2,17,19)"	"TWXVOXHOUYVOKS-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"88599-49-9"	"DTXSID90237181"	"Benzoic acid, 2-((aminocarbonyl)oxy)-, 3-methylphenyl ester"	"EPA_DSSTox"	"CC1=CC(=CC=C1)OC(=O)C1=CC=CC=C1OC(N)=O"	"?"	"InChI=1S/C15H13NO4/c1-10-5-4-6-11(9-10)19-14(17)12-7-2-3-8-13(12)20-15(16)18/h2-9H,1H3,(H2,16,18)"	"DAOKQLIWUHRVQX-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"88599-51-3"	"DTXSID10237183"	"Benzoic acid, 2-((aminocarbonyl)oxy)-, 2-chlorophenyl ester"	"EPA_DSSTox"	"NC(=O)OC1=CC=CC=C1C(=O)OC1=CC=CC=C1Cl"	"?"	"InChI=1S/C14H10ClNO4/c15-10-6-2-4-8-12(10)19-13(17)9-5-1-3-7-11(9)20-14(16)18/h1-8H,(H2,16,18)"	"ZBULHIWAZTVVQS-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"88599-62-6"	"DTXSID70237184"	"Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-chlorophenyl ester"	"EPA_DSSTox"	"NC(=O)OC1=CC=CC=C1C(=O)OC1=CC=C(Cl)C=C1"	"?"	"InChI=1S/C14H10ClNO4/c15-9-5-7-10(8-6-9)19-13(17)11-3-1-2-4-12(11)20-14(16)18/h1-8H,(H2,16,18)"	"SYIFAVZVJRMWFJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"88599-64-8"	"DTXSID30237185"	"Benzoic acid, 2-((aminocarbonyl)oxy)-, 2,4-dichlorophenyl ester"	"EPA_DSSTox"	"NC(=O)OC1=CC=CC=C1C(=O)OC1=CC=C(Cl)C=C1Cl"	"?"	"InChI=1S/C14H9Cl2NO4/c15-8-5-6-12(10(16)7-8)20-13(18)9-3-1-2-4-11(9)21-14(17)19/h1-7H,(H2,17,19)"	"NJIZMOVZYOGLFL-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"88599-68-2"	NA	NA	"Public_CrossChecked"	"CC1C=CC=C(C=1)OC(=O)C1C=CC(Cl)=CC=1OC(N)=O"	"?"	"InChI=1S/C15H12ClNO4/c1-9-3-2-4-11(7-9)20-14(18)12-6-5-10(16)8-13(12)21-15(17)19/h2-8H,1H3,(H2,17,19)"	"QGAIWDAIYSSROS-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"88599-69-3"	"DTXSID50237187"	"Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 4-chloro-3-methylphenyl ester"	"EPA_DSSTox"	"CC1=CC(=CC=C1Cl)OC(=O)C1=CC(Cl)=CC=C1OC(N)=O"	"?"	"InChI=1S/C15H11Cl2NO4/c1-8-6-10(3-4-12(8)17)21-14(19)11-7-9(16)2-5-13(11)22-15(18)20/h2-7H,1H3,(H2,18,20)"	"XQCKHALKVIBURQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"88599-70-6"	"DTXSID10237188"	"Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 3-pentadecylphenyl ester"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCC1C=CC=C(C=1)OC(=O)C1=CC(Cl)=CC=C1OC(N)=O"	"?"	"InChI=1S/C29H40ClNO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-23-17-15-18-25(21-23)34-28(32)26-22-24(30)19-20-27(26)35-29(31)33/h15,17-22H,2-14,16H2,1H3,(H2,31,33)"	"PPYZTYXOUVBLDZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"88599-72-8"	"DTXSID80237190"	"Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-ethoxyphenyl ester"	"EPA_DSSTox"	"CCOC1=CC=C(C=C1)OC(=O)C1=CC=CC=C1OC(N)=O"	"?"	"InChI=1S/C16H15NO5/c1-2-20-11-7-9-12(10-8-11)21-15(18)13-5-3-4-6-14(13)22-16(17)19/h3-10H,2H2,1H3,(H2,17,19)"	"JNTODINSBSEXBK-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"88599-73-9"	"DTXSID40237191"	"Benzoic acid, 2-((aminocarbonyl)oxy)-, 2-nitrophenyl ester"	"EPA_DSSTox"	"NC(=O)OC1=CC=CC=C1C(=O)OC1=CC=CC=C1[N+]([O-])=O"	"?"	"InChI=1S/C14H10N2O6/c15-14(18)22-11-7-3-1-5-9(11)13(17)21-12-8-4-2-6-10(12)16(19)20/h1-8H,(H2,15,18)"	"NHPYPYNDXKSVBI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"88599-74-0"	"DTXSID00237192"	"Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-nitrophenyl ester"	"EPA_DSSTox"	"NC(=O)OC1=CC=CC=C1C(=O)OC1C=CC(=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C14H10N2O6/c15-14(18)22-12-4-2-1-3-11(12)13(17)21-10-7-5-9(6-8-10)16(19)20/h1-8H,(H2,15,18)"	"HYFBDRYGMHFGRI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"886-50-0"	"DTXSID3024318"	"Terbutryn"	"EPA_DSSTox"	"CCNC1N=C(NC(C)(C)C)N=C(N=1)SC"	"?"	"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"	FALSE	TRUE	2045	3	5
"886-74-8"	"DTXSID5022803"	"Chlorphenesin carbamate"	"EPA_DSSTox"	"NC(=O)OCC(O)COC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C10H12ClNO4/c11-7-1-3-9(4-2-7)15-5-8(13)6-16-10(12)14/h1-4,8,13H,5-6H2,(H2,12,14)"	"SKPLBLUECSEIFO-UHFFFAOYSA-N"	FALSE	FALSE	744	3	4
"886588-62-1"	"DTXSID90720841"	"(2S,3S)-2,3-Dihydroxybutanedioic acid--2-[(3R)-piperidin-3-yl]-1H-isoindole-1,3(2H)-dione (1/1)"	"EPA_DSSTox"	"O=C1C2=CC=CC=C2C(=O)N1C1CNCCC1"	"O[C@@H]([C@H](O)C(O)=O)C(O)=O"	"InChI=1S/C13H14N2O2/c16-12-10-5-1-2-6-11(10)13(17)15(12)9-4-3-7-14-8-9/h1-2,5-6,9,14H,3-4,7-8H2"	"POAZMSVKCTYEPJ-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	NA
"88671-89-0"	"DTXSID8024315"	"Myclobutanil"	"EPA_DSSTox"	"CCCCC(CN1C=NC=N1)(C#N)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3"	"HZJKXKUJVSEEFU-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"88678-31-3"	"DTXSID6046470"	"Liranaftate"	"EPA_DSSTox"	"COC1C=CC=C(N=1)N(C)C(=S)OC1=CC2CCCCC=2C=C1"	"?"	"InChI=1S/C18H20N2O2S/c1-20(16-8-5-9-17(19-16)21-2)18(23)22-15-11-10-13-6-3-4-7-14(13)12-15/h5,8-12H,3-4,6-7H2,1-2H3"	"VPHPQNGOVQYUMG-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"88678-67-5"	"DTXSID2058209"	"Pyributicarb"	"EPA_DSSTox"	"COC1C=CC=C(N=1)N(C)C(=S)OC1=CC(=CC=C1)C(C)(C)C"	"?"	"InChI=1S/C18H22N2O2S/c1-18(2,3)13-8-6-9-14(12-13)22-17(23)20(4)15-10-7-11-16(19-15)21-5/h6-12H,1-5H3"	"VTRWMTJQBQJKQH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"88881-65-6"	"DTXSID9073701"	"Glycine, N-ethyl-N-(3-methylphenyl)-, 2,2,2-trifluoroethyl ester"	"EPA_DSSTox"	"CC1C=C(C=CC=1)N(CC(=O)OCC(F)(F)F)CC"	"?"	"InChI=1S/C13H16F3NO2/c1-3-17(11-6-4-5-10(2)7-11)8-12(18)19-9-13(14,15)16/h4-7H,3,8-9H2,1-2H3"	"CTPTXCRGTSLBLX-UHFFFAOYSA-N"	FALSE	FALSE	1900	3	4
"88909-96-0"	"DTXSID10237406"	"Isodibut"	"EPA_DSSTox"	"OC(=O)CCCN1C(=O)C2C=CC=C3C=CC=C(C3=2)C1=O"	"?"	"InChI=1S/C16H13NO4/c18-13(19)8-3-9-17-15(20)11-6-1-4-10-5-2-7-12(14(10)11)16(17)21/h1-2,4-7H,3,8-9H2,(H,18,19)"	"ZHXRDXTYPCPBTI-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"88969-41-9"	NA	NA	"Public_CrossChecked"	"CC(=O)OC(C)(C)CCCC(=C)CC"	"?"	"InChI=1S/C12H22O2/c1-6-10(2)8-7-9-12(4,5)14-11(3)13/h2,6-9H2,1,3-5H3"	"VHVRYMDFTKNLFA-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"89-25-8"	"DTXSID9021130"	"1-Phenyl-3-methyl-5-pyrazolone"	"EPA_DSSTox"	"CC1CC(=O)N(N=1)C1C=CC=CC=1"	"?"	"InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3"	"QELUYTUMUWHWMC-UHFFFAOYSA-N"	FALSE	FALSE	1915	3	4
"89-32-7"	"DTXSID1026536"	"1H,3H-Benzo(1,2-c:4,5-c')difuran-1,3,5,7-tetrone"	"EPA_DSSTox"	"O=C1OC(=O)C2=CC3=C(C=C12)C(=O)OC3=O"	"?"	"InChI=1S/C10H2O6/c11-7-3-1-4-6(10(14)16-8(4)12)2-5(3)9(13)15-7/h1-2H"	"ANSXAPJVJOKRDJ-UHFFFAOYSA-N"	FALSE	TRUE	2250	3	5
"89-33-8"	"DTXSID5044738"	"Ethyl 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate"	"EPA_DSSTox"	"CCOC(=O)C1CC(=O)N(N=1)C1C=CC=CC=1"	"?"	"InChI=1S/C12H12N2O3/c1-2-17-12(16)10-8-11(15)14(13-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3"	"WBFXQKNQVZMOSQ-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"89-39-4"	"DTXSID5058987"	"Benzene, 1,4-dimethoxy-2-nitro-"	"EPA_DSSTox"	"COC1C=CC(=CC=1[N+]([O-])=O)OC"	"?"	"InChI=1S/C8H9NO4/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5H,1-2H3"	"UPTOWXNJLZJTGD-UHFFFAOYSA-N"	FALSE	TRUE	2120	3	5
"89-61-2"	"DTXSID7052602"	"1,4-Dichloro-2-nitrobenzene"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC(Cl)=CC=C1Cl"	"?"	"InChI=1S/C6H3Cl2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H"	"RZKKOBGFCAHLCZ-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"89-63-4"	"DTXSID4030384"	"4-Chloro-2-nitroaniline"	"EPA_DSSTox"	"NC1C=CC(Cl)=CC=1[N+]([O-])=O"	"?"	"InChI=1S/C6H5ClN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2"	"PBGKNXWGYQPUJK-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"89-65-6"	"DTXSID6026537"	"Isoascorbic acid"	"EPA_DSSTox"	"OC(CO)C1OC(=O)C(O)=C1O"	"?"	"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2"	"CIWBSHSKHKDKBQ-UHFFFAOYSA-N"	FALSE	TRUE	18000	4	5
"89-72-5"	"DTXSID2022331"	"2-(Butan-2-yl)phenol"	"EPA_DSSTox"	"CCC(C)C1C=CC=CC=1O"	"?"	"InChI=1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3"	"NGFPWHGISWUQOI-UHFFFAOYSA-N"	FALSE	FALSE	320	2	4
"89-75-8"	"DTXSID2052603"	"2,4-Dichlorobenzoyl chloride"	"EPA_DSSTox"	"O=C(Cl)C1=CC=C(Cl)C=C1Cl"	"?"	"InChI=1S/C7H3Cl3O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H"	"CEOCVKWBUWKBKA-UHFFFAOYSA-N"	FALSE	TRUE	4640	3	5
"89-80-5"	"DTXSID2044478"	"dl-Menthone"	"EPA_DSSTox"	"CC(C)C1CCC(C)CC1=O"	"?"	"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3"	"NFLGAXVYCFJBMK-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"89-82-7"	"DTXSID2025975"	"R-(+)-Pulegone"	"EPA_DSSTox"	"CC(C)=C1CCC(C)CC1=O"	"?"	"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3"	"NZGWDASTMWDZIW-UHFFFAOYSA-N"	FALSE	FALSE	470	2	4
"89-83-8"	"DTXSID6034972"	"Thymol"	"EPA_DSSTox"	"CC1C=CC(C(C)C)=C(O)C=1"	"?"	"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3"	"MGSRCZKZVOBKFT-UHFFFAOYSA-N"	FALSE	FALSE	980	3	4
"89-84-9"	"DTXSID4058998"	"Ethanone, 1-(2,4-dihydroxyphenyl)-"	"EPA_DSSTox"	"CC(=O)C1C=CC(O)=CC=1O"	"?"	"InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3"	"SULYEHHGGXARJS-UHFFFAOYSA-N"	FALSE	TRUE	2830	3	5
"89-87-2"	"DTXSID2025135"	"1,3-Dimethyl-4-nitrobenzene"	"EPA_DSSTox"	"CC1=CC(C)=C(C=C1)[N+]([O-])=O"	"?"	"InChI=1S/C8H9NO2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3"	"BBUPBICWUURTNP-UHFFFAOYSA-N"	FALSE	FALSE	1690	3	4
"89-98-5"	"DTXSID5024764"	"2-Chlorobenzaldehyde"	"EPA_DSSTox"	"O=CC1C=CC=CC=1Cl"	"?"	"InChI=1S/C7H5ClO/c8-7-4-2-1-3-6(7)5-9/h1-5H"	"FPYUJUBAXZAQNL-UHFFFAOYSA-N"	FALSE	TRUE	2160	3	5
"892-01-3"	NA	NA	"Public_CrossChecked"	"OC(=O)CCC1(CCCCC1=O)CC1C=CC=CC=1"	"?"	"InChI=1S/C16H20O3/c17-14-8-4-5-10-16(14,11-9-15(18)19)12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,18,19)"	"QQWBGHWKTDIMCX-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"89226-75-5"	"DTXSID9020796"	"Manidipine dihydrochloride"	"EPA_DSSTox"	"COC(=O)C1C(C(C(=O)OCCN2CCN(CC2)C(C2C=CC=CC=2)C2C=CC=CC=2)=C(C)NC=1C)C1=CC(=CC=C1)[N+]([O-])=O"	"Cl.Cl"	"InChI=1S/C35H38N4O6/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-16,23,32-33,36H,17-22H2,1-3H3"	"ANEBWFXPVPTEET-UHFFFAOYSA-N"	FALSE	FALSE	156	2	3
"89232-83-7"	NA	NA	"Public_CrossChecked"	"CC(CCC(O)=O)C1CCC2C3C(CCC21C)C1(C)CCC(CC1CC3OS(O)(=O)=O)OS(O)(=O)=O"	"[Na+].[Na+].[Na+]"	"InChI=1S/C24H40O10S2/c1-14(4-7-21(25)26)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(33-35(27,28)29)12-15(23)13-20(22)34-36(30,31)32/h14-20,22H,4-13H2,1-3H3,(H,25,26)(H,27,28,29)(H,30,31,32)"	"BWXSDJHAJWTEAD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"89269-64-7"	"DTXSID1058210"	"Ferimzone"	"EPA_DSSTox"	"CC1C=C(C)N=C(NN=C(C)C2=CC=CC=C2C)N=1"	"?"	"InChI=1S/C15H18N4/c1-10-7-5-6-8-14(10)13(4)18-19-15-16-11(2)9-12(3)17-15/h5-9H,1-4H3,(H,16,17,19)"	"GOWLARCWZRESHU-UHFFFAOYSA-N"	FALSE	FALSE	525	3	4
"89392-03-0"	"DTXSID10888694"	"Carbamic acid, N-(4,6-dimethoxy-2-pyrimidinyl)-, phenyl ester"	"EPA_DSSTox"	"COC1=CC(=NC(NC(=O)OC2C=CC=CC=2)=N1)OC"	"?"	"InChI=1S/C13H13N3O4/c1-18-10-8-11(19-2)15-12(14-10)16-13(17)20-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15,16,17)"	"MESPVSMSORHLAX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"89396-94-1"	"DTXSID7046912"	"Imidapril hydrochloride"	"EPA_DSSTox"	"CN1CC(C(O)=O)N(C1=O)C(=O)C(C)NC(CCC1C=CC=CC=1)C(=O)OCC"	"Cl"	"InChI=1S/C20H27N3O6/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26)"	"KLZWOWYOHUKJIG-UHFFFAOYSA-N"	FALSE	TRUE	3536	3	5
"894-86-0"	"DTXSID3061269"	"[2,2'-Bi-1H-indole]-3,3'-diol, disodium salt"	"EPA_DSSTox"	"OC1=C(NC2=CC=CC=C12)C1NC2C=CC=CC=2C=1O"	"[Na+].[Na+]"	"InChI=1S/C16H12N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-20H"	"VIFKLIUAPGUEBV-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"894079-42-6"	"DTXSID90467567"	"Phenol, 3-[(1S)-1-(methylamino)ethyl]-"	"EPA_DSSTox"	"CNC(C)C1C=CC=C(O)C=1"	"?"	"InChI=1S/C9H13NO/c1-7(10-2)8-4-3-5-9(11)6-8/h3-7,10-11H,1-2H3"	"AEOMELCUDZBIFY-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"89426-87-9"	"DTXSID70237649"	"Benzimidazole, 5-ethyl-2-(trifluoromethyl)-"	"EPA_DSSTox"	"CCC1C=C2NC(=NC2=CC=1)C(F)(F)F"	"?"	"InChI=1S/C10H9F3N2/c1-2-6-3-4-7-8(5-6)15-9(14-7)10(11,12)13/h3-5H,2H2,1H3,(H,14,15)"	"DPMJZEGWBKIXDX-UHFFFAOYSA-N"	TRUE	FALSE	28	1	2
"89426-89-1"	"DTXSID40237651"	"Benzimidazole-5-carboxamide, 2-(trifluoromethyl)-"	"EPA_DSSTox"	"NC(=O)C1C=C2NC(=NC2=CC=1)C(F)(F)F"	"?"	"InChI=1S/C9H6F3N3O/c10-9(11,12)8-14-5-2-1-4(7(13)16)3-6(5)15-8/h1-3H,(H2,13,16)(H,14,15)"	"MKJCYFAERKFQLL-UHFFFAOYSA-N"	TRUE	FALSE	31.632	1	2
"89426-90-4"	"DTXSID00237652"	"Benzimidazol-5-ol, 2-(trifluoromethyl)-"	"EPA_DSSTox"	"OC1C=C2NC(=NC2=CC=1)C(F)(F)F"	"?"	"InChI=1S/C8H5F3N2O/c9-8(10,11)7-12-5-2-1-4(14)3-6(5)13-7/h1-3,14H,(H,12,13)"	"XKWNYYWVRVWOEN-UHFFFAOYSA-N"	TRUE	FALSE	41	1	2
"89426-91-5"	"DTXSID60237653"	"5-Benzimidazolesulfonamide, 2-(trifluoromethyl)-"	"EPA_DSSTox"	"NS(=O)(=O)C1C=C2NC(=NC2=CC=1)C(F)(F)F"	"?"	"InChI=1S/C8H6F3N3O2S/c9-8(10,11)7-13-5-2-1-4(17(12,15)16)3-6(5)14-7/h1-3H,(H,13,14)(H2,12,15,16)"	"GUCMWUGQNHQWCK-UHFFFAOYSA-N"	TRUE	FALSE	21	1	2
"89426-92-6"	"DTXSID20237654"	"Benzimidazole, 5-phenyl-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1NC2=CC(=CC=C2N=1)C1C=CC=CC=1"	"?"	"InChI=1S/C14H9F3N2/c15-14(16,17)13-18-11-7-6-10(8-12(11)19-13)9-4-2-1-3-5-9/h1-8H,(H,18,19)"	"JYIRUKAOLZSQJQ-UHFFFAOYSA-N"	FALSE	FALSE	69	2	3
"89426-93-7"	"DTXSID80237655"	"Benzimidazole, 4,6-difluoro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC1C=C(F)C2N=C(NC=2C=1)C(F)(F)F"	"?"	"InChI=1S/C8H3F5N2/c9-3-1-4(10)6-5(2-3)14-7(15-6)8(11,12)13/h1-2H,(H,14,15)"	"OTBZYJFQZSYALD-UHFFFAOYSA-N"	TRUE	FALSE	2.492	1	1
"89426-94-8"	"DTXSID40237656"	"Benzimidazole, 5-chloro-4-fluoro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC1C2N=C(NC=2C=CC=1Cl)C(F)(F)F"	"?"	"InChI=1S/C8H3ClF4N2/c9-3-1-2-4-6(5(3)10)15-7(14-4)8(11,12)13/h1-2H,(H,14,15)"	"QTONVTBIOPKFII-UHFFFAOYSA-N"	TRUE	FALSE	5.723	1	2
"89426-95-9"	"DTXSID00237657"	"Benzimidazole, 6-chloro-4-fluoro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC1C=C(Cl)C=C2NC(=NC=12)C(F)(F)F"	"?"	"InChI=1S/C8H3ClF4N2/c9-3-1-4(10)6-5(2-3)14-7(15-6)8(11,12)13/h1-2H,(H,14,15)"	"MOADYEPTPCKHNN-UHFFFAOYSA-N"	TRUE	FALSE	7.372	1	2
"89426-96-0"	"DTXSID60237658"	"Benzimidazole, 6-chloro-5-fluoro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC1=CC2NC(=NC=2C=C1Cl)C(F)(F)F"	"?"	"InChI=1S/C8H3ClF4N2/c9-3-1-5-6(2-4(3)10)15-7(14-5)8(11,12)13/h1-2H,(H,14,15)"	"LRLCGSNWJZYZLV-UHFFFAOYSA-N"	TRUE	FALSE	8.661	1	2
"89426-98-2"	"DTXSID30237660"	"Benzimidazole, 4-bromo-6-fluoro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC1C=C(Br)C2N=C(NC=2C=1)C(F)(F)F"	"?"	"InChI=1S/C8H3BrF4N2/c9-4-1-3(10)2-5-6(4)15-7(14-5)8(11,12)13/h1-2H,(H,14,15)"	"CSWMRZAOJVOJBN-UHFFFAOYSA-N"	TRUE	FALSE	5.647	1	2
"89426-99-3"	"DTXSID90237661"	"Benzimidazole, 4-bromo-6-chloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1NC2C=C(Cl)C=C(Br)C=2N=1"	"?"	"InChI=1S/C8H3BrClF3N2/c9-4-1-3(10)2-5-6(4)15-7(14-5)8(11,12)13/h1-2H,(H,14,15)"	"LUKWKKYXNIHSRJ-UHFFFAOYSA-N"	TRUE	FALSE	7.184	1	2
"89427-00-9"	"DTXSID50237662"	"Benzimidazole, 4-chloro-6-iodo-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1NC2=CC(I)=CC(Cl)=C2N=1"	"?"	"InChI=1S/C8H3ClF3IN2/c9-4-1-3(13)2-5-6(4)15-7(14-5)8(10,11)12/h1-2H,(H,14,15)"	"NPPLBMXLLSXEID-UHFFFAOYSA-N"	TRUE	FALSE	1.443	1	1
"89427-01-0"	"DTXSID10237663"	"Benzimidazole, 6-chloro-4-iodo-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1NC2C=C(Cl)C=C(I)C=2N=1"	"?"	"InChI=1S/C8H3ClF3IN2/c9-3-1-4(13)6-5(2-3)14-7(15-6)8(10,11)12/h1-2H,(H,14,15)"	"QKBHKNIBCOMLJR-UHFFFAOYSA-N"	TRUE	FALSE	24	1	2
"89427-02-1"	"DTXSID70237664"	"Benzimidazole, 5-chloro-4-methoxy-2-(trifluoromethyl)-"	"EPA_DSSTox"	"COC1=C(Cl)C=CC2NC(=NC=21)C(F)(F)F"	"?"	"InChI=1S/C9H6ClF3N2O/c1-16-7-4(10)2-3-5-6(7)15-8(14-5)9(11,12)13/h2-3H,1H3,(H,14,15)"	"ITEGNHZULKQUEH-UHFFFAOYSA-N"	TRUE	FALSE	3.155	1	1
"89427-03-2"	"DTXSID30237665"	"Benzimidazole, 5-chloro-4-methyl-2-(trifluoromethyl)-"	"EPA_DSSTox"	"CC1=C(Cl)C=CC2NC(=NC=21)C(F)(F)F"	"?"	"InChI=1S/C9H6ClF3N2/c1-4-5(10)2-3-6-7(4)15-8(14-6)9(11,12)13/h2-3H,1H3,(H,14,15)"	"KLYLINZLAQURKX-UHFFFAOYSA-N"	TRUE	FALSE	22	1	2
"89427-04-3"	"DTXSID90237666"	"Benzimidazole, 4-bromo-5-methyl-2-(trifluoromethyl)-"	"EPA_DSSTox"	"CC1C=CC2NC(=NC=2C=1Br)C(F)(F)F"	"?"	"InChI=1S/C9H6BrF3N2/c1-4-2-3-5-7(6(4)10)15-8(14-5)9(11,12)13/h2-3H,1H3,(H,14,15)"	"HXJCFALYERVBLM-UHFFFAOYSA-N"	FALSE	FALSE	64	2	3
"89427-05-4"	"DTXSID50237667"	"Benzimidazole, 6-bromo-5-methyl-2-(trifluoromethyl)-"	"EPA_DSSTox"	"CC1=CC2NC(=NC=2C=C1Br)C(F)(F)F"	"?"	"InChI=1S/C9H6BrF3N2/c1-4-2-6-7(3-5(4)10)15-8(14-6)9(11,12)13/h2-3H,1H3,(H,14,15)"	"DPUCPNLAQAMNLR-UHFFFAOYSA-N"	FALSE	FALSE	77	2	3
"89427-06-5"	"DTXSID10237668"	"Benzimidazole, 4-bromo-6-tert-butyl-2-(trifluoromethyl)-"	"EPA_DSSTox"	"CC(C)(C)C1C=C2NC(=NC2=C(Br)C=1)C(F)(F)F"	"?"	"InChI=1S/C12H12BrF3N2/c1-11(2,3)6-4-7(13)9-8(5-6)17-10(18-9)12(14,15)16/h4-5H,1-3H3,(H,17,18)"	"QEOJVLBOBFWCEI-UHFFFAOYSA-N"	FALSE	FALSE	161	2	3
"89427-10-1"	"DTXSID00237672"	"Benzimidazole, 5-methyl-4-nitro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"CC1=CC=C2NC(=NC2=C1[N+]([O-])=O)C(F)(F)F"	"?"	"InChI=1S/C9H6F3N3O2/c1-4-2-3-5-6(7(4)15(16)17)14-8(13-5)9(10,11)12/h2-3H,1H3,(H,13,14)"	"FXEJGTRANQTCMH-UHFFFAOYSA-N"	TRUE	FALSE	7.752	1	2
"89427-11-2"	"DTXSID60237673"	"Benzimidazole, 4-chloro-7-nitro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC=C(Cl)C2N=C(NC1=2)C(F)(F)F"	"?"	"InChI=1S/C8H3ClF3N3O2/c9-3-1-2-4(15(16)17)6-5(3)13-7(14-6)8(10,11)12/h1-2H,(H,13,14)"	"QBKPGCHGJXTPPQ-UHFFFAOYSA-N"	TRUE	FALSE	11.069	1	2
"89427-13-4"	"DTXSID80237675"	"Benzimidazole, 5,6-dimethoxy-2-(trifluoromethyl)-"	"EPA_DSSTox"	"COC1C=C2NC(=NC2=CC=1OC)C(F)(F)F"	"?"	"InChI=1S/C10H9F3N2O2/c1-16-7-3-5-6(4-8(7)17-2)15-9(14-5)10(11,12)13/h3-4H,1-2H3,(H,14,15)"	"KKUSEXKTNFXEAQ-UHFFFAOYSA-N"	TRUE	FALSE	42	1	2
"89427-14-5"	"DTXSID40237676"	"Benzimidazole, 4,7-dimethoxy-2-(trifluoromethyl)-"	"EPA_DSSTox"	"COC1C=CC(OC)=C2NC(=NC=12)C(F)(F)F"	"?"	"InChI=1S/C10H9F3N2O2/c1-16-5-3-4-6(17-2)8-7(5)14-9(15-8)10(11,12)13/h3-4H,1-2H3,(H,14,15)"	"DVWDQEOXYVYICR-UHFFFAOYSA-N"	FALSE	FALSE	60	2	3
"89427-15-6"	"DTXSID00237677"	"Benzimidazole, 4,5,7-trifluoro-2-(trifluoromethyl)"	"EPA_DSSTox"	"FC1=CC(F)=C(F)C2NC(=NC1=2)C(F)(F)F"	"?"	"InChI=1S/C8H2F6N2/c9-2-1-3(10)5-6(4(2)11)16-7(15-5)8(12,13)14/h1H,(H,15,16)"	"ZPYUMXGVUPRXGQ-UHFFFAOYSA-N"	TRUE	FALSE	2.293	1	1
"89427-17-8"	"DTXSID20237679"	"Benzimidazole, 5-bromo-4,6-dichloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1NC2C=C(Cl)C(Br)=C(Cl)C=2N=1"	"?"	"InChI=1S/C8H2BrCl2F3N2/c9-4-2(10)1-3-6(5(4)11)16-7(15-3)8(12,13)14/h1H,(H,15,16)"	"TZMJKLIIGWZDMN-UHFFFAOYSA-N"	TRUE	FALSE	8.783	1	2
"89427-19-0"	"DTXSID90237681"	"Carbamic acid, ethyl-, 5,6-dichloro-2-(trifluoromethyl)-4-benzimidazolyl ester"	"EPA_DSSTox"	"CCNC(=O)OC1C2N=C(NC=2C=C(Cl)C=1Cl)C(F)(F)F"	"?"	"InChI=1S/C11H8Cl2F3N3O2/c1-2-17-10(20)21-8-6(13)4(12)3-5-7(8)19-9(18-5)11(14,15)16/h3H,2H2,1H3,(H,17,20)(H,18,19)"	"YJZWOOIORFWOOU-UHFFFAOYSA-N"	FALSE	FALSE	103	2	3
"89427-20-3"	"DTXSID50237682"	"Carbamic acid, dimethyl-, 5,6-dichloro-2-(trifluoromethyl)-4-benzimidazolyl ester"	"EPA_DSSTox"	"CN(C)C(=O)OC1C2N=C(NC=2C=C(Cl)C=1Cl)C(F)(F)F"	"?"	"InChI=1S/C11H8Cl2F3N3O2/c1-19(2)10(20)21-8-6(13)4(12)3-5-7(8)18-9(17-5)11(14,15)16/h3H,1-2H3,(H,17,18)"	"KPGUUMARSUECQE-UHFFFAOYSA-N"	TRUE	FALSE	41	1	2
"89427-21-4"	"DTXSID10237683"	"Benzimidazole, 6-bromo-5-chloro-4-methyl-2-(trifluoromethyl)-"	"EPA_DSSTox"	"CC1C(Cl)=C(Br)C=C2NC(=NC2=1)C(F)(F)F"	"?"	"InChI=1S/C9H5BrClF3N2/c1-3-6(11)4(10)2-5-7(3)16-8(15-5)9(12,13)14/h2H,1H3,(H,15,16)"	"NFHFENIYBYJBKZ-UHFFFAOYSA-N"	TRUE	FALSE	30	1	2
"89427-22-5"	"DTXSID70237684"	"Benzimidazole, 5,6-dimethyl-4-nitro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"CC1C(=C2N=C(NC2=CC=1C)C(F)(F)F)[N+]([O-])=O"	"?"	"InChI=1S/C10H8F3N3O2/c1-4-3-6-7(8(5(4)2)16(17)18)15-9(14-6)10(11,12)13/h3H,1-2H3,(H,14,15)"	"HMWZHAXMGSDNNR-UHFFFAOYSA-N"	FALSE	FALSE	67	2	3
"89427-23-6"	NA	NA	"Public_CrossChecked"	"CC1=C(Cl)C=C2NC(=NC2=C1[N+]([O-])=O)C(F)(F)F"	"?"	"InChI=1S/C9H5ClF3N3O2/c1-3-4(10)2-5-6(7(3)16(17)18)15-8(14-5)9(11,12)13/h2H,1H3,(H,14,15)"	"QRSPFIGONKAPND-UHFFFAOYSA-N"	TRUE	FALSE	31.371	1	2
"89427-24-7"	NA	NA	"Public_CrossChecked"	"CC1=C(Br)C=C2NC(=NC2=C1[N+]([O-])=O)C(F)(F)F"	"?"	"InChI=1S/C9H5BrF3N3O2/c1-3-4(10)2-5-6(7(3)16(17)18)15-8(14-5)9(11,12)13/h2H,1H3,(H,14,15)"	"YUYRQXBFESASPO-UHFFFAOYSA-N"	FALSE	FALSE	83	2	3
"89427-25-8"	"DTXSID30237685"	"Benzimidazole-6-carbonitrile, 4,5-dichloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"N#CC1=CC2NC(=NC=2C(Cl)=C1Cl)C(F)(F)F"	"?"	"InChI=1S/C9H2Cl2F3N3/c10-5-3(2-15)1-4-7(6(5)11)17-8(16-4)9(12,13)14/h1H,(H,16,17)"	"HKGDOOBSWGGNPM-UHFFFAOYSA-N"	FALSE	TRUE	3955	3	5
"89427-26-9"	NA	NA	"Public_CrossChecked"	"FC1C2N=C(NC=2C(Cl)=C(Cl)C=1Cl)C(F)(F)F"	"?"	"InChI=1S/C8HCl3F4N2/c9-1-2(10)4(12)6-5(3(1)11)16-7(17-6)8(13,14)15/h(H,16,17)"	"IKKYUZMHOXIBFE-UHFFFAOYSA-N"	TRUE	FALSE	0.847	1	1
"89427-27-0"	NA	NA	"Public_CrossChecked"	"FC1C(Cl)=C(F)C2N=C(NC=2C=1Cl)C(F)(F)F"	"?"	"InChI=1S/C8HCl2F5N2/c9-1-3(11)2(10)5-6(4(1)12)17-7(16-5)8(13,14)15/h(H,16,17)"	"JQGLVTOSBVIPTM-UHFFFAOYSA-N"	TRUE	FALSE	1.674	1	1
"89427-28-1"	"DTXSID90237686"	"Benzimidazole, 5,7-dibromo-4,6-difluoro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC1C(Br)=C(F)C2N=C(NC=2C=1Br)C(F)(F)F"	"?"	"InChI=1S/C8HBr2F5N2/c9-1-3(11)2(10)5-6(4(1)12)17-7(16-5)8(13,14)15/h(H,16,17)"	"XILWGCOFEKFQIG-UHFFFAOYSA-N"	TRUE	FALSE	7.234	1	2
"89427-29-2"	"DTXSID50237687"	"Benzimidazole, 6-fluoro-4,5,7-tribromo-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC1C(Br)=C(Br)C2N=C(NC=2C=1Br)C(F)(F)F"	"?"	"InChI=1S/C8HBr3F4N2/c9-1-2(10)5-6(3(11)4(1)12)17-7(16-5)8(13,14)15/h(H,16,17)"	"YSHGDPHOIXCXIN-UHFFFAOYSA-N"	TRUE	FALSE	9.644	1	2
"89427-31-6"	"DTXSID70237689"	"Benzimidazole, 5-methyl-4,6,7-trifluoro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"CC1C(F)=C(F)C2N=C(NC=2C=1F)C(F)(F)F"	"?"	"InChI=1S/C9H4F6N2/c1-2-3(10)5(12)7-6(4(2)11)16-8(17-7)9(13,14)15/h1H3,(H,16,17)"	"KMBQBBFTNZANLA-UHFFFAOYSA-N"	TRUE	FALSE	3.936	1	1
"89427-32-7"	"DTXSID80237690"	"Benzimidazole, 4-bromo-5,7-dichloro-6-fluoro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC1C(Cl)=C(Br)C2NC(=NC=2C=1Cl)C(F)(F)F"	"?"	"InChI=1S/C8HBrCl2F4N2/c9-1-2(10)4(12)3(11)6-5(1)16-7(17-6)8(13,14)15/h(H,16,17)"	"AQOQCACLQPLZSJ-UHFFFAOYSA-N"	TRUE	FALSE	6.258	1	2
"89427-33-8"	"DTXSID40237691"	"Benzimidazole, 4-chloro-5,7-dibromo-6-fluoro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC1C(Br)=C(Cl)C2N=C(NC=2C=1Br)C(F)(F)F"	"?"	"InChI=1S/C8HBr2ClF4N2/c9-1-3(11)6-5(2(10)4(1)12)16-7(17-6)8(13,14)15/h(H,16,17)"	"QGZJKNKPIQMLNK-UHFFFAOYSA-N"	TRUE	FALSE	6.282	1	2
"89427-35-0"	"DTXSID60237693"	"Benzimidazole, 4-chloro-5,6,7-tribromo-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1NC2=C(N=1)C(Cl)=C(Br)C(Br)=C2Br"	"?"	"InChI=1S/C8HBr3ClF3N2/c9-1-2(10)4(12)6-5(3(1)11)16-7(17-6)8(13,14)15/h(H,16,17)"	"ZZDTWTUXVKLZAZ-UHFFFAOYSA-N"	TRUE	FALSE	5.25	1	2
"89427-36-1"	"DTXSID20237694"	"Benzimidazole, 4-methyl-5,6,7-trichloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"CC1C2N=C(NC=2C(Cl)=C(Cl)C=1Cl)C(F)(F)F"	"?"	"InChI=1S/C9H4Cl3F3N2/c1-2-3(10)4(11)5(12)7-6(2)16-8(17-7)9(13,14)15/h1H3,(H,16,17)"	"RTMIMHBCZFVXKQ-UHFFFAOYSA-N"	TRUE	FALSE	6.488	1	2
"89427-38-3"	"DTXSID40237696"	"Benzimidazole, 5-chloro-6,7-dibromo-4-methyl-2-(trifluoromethyl)-"	"EPA_DSSTox"	"CC1=C(Cl)C(Br)=C(Br)C2NC(=NC=21)C(F)(F)F"	"?"	"InChI=1S/C9H4Br2ClF3N2/c1-2-5(12)3(10)4(11)7-6(2)16-8(17-7)9(13,14)15/h1H3,(H,16,17)"	"MMGDMNXUWSCLNR-UHFFFAOYSA-N"	TRUE	FALSE	23	1	2
"89427-39-4"	"DTXSID00237697"	"Benzimidazole, 5-methoxy-4,6,7-trichloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"COC1C(Cl)=C(Cl)C2NC(=NC=2C=1Cl)C(F)(F)F"	"?"	"InChI=1S/C9H4Cl3F3N2O/c1-18-7-3(11)2(10)5-6(4(7)12)17-8(16-5)9(13,14)15/h1H3,(H,16,17)"	"YXXSITTZKJSJDH-UHFFFAOYSA-N"	TRUE	FALSE	33	1	2
"89427-40-7"	"DTXSID60237698"	"Benzimidazole, 6-chloro-4,7-dinitro-5-methyl-2-(trifluoromethyl)-"	"EPA_DSSTox"	"CC1C(Cl)=C(C2N=C(NC=2C=1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O"	"?"	"InChI=1S/C9H4ClF3N4O4/c1-2-3(10)7(17(20)21)5-4(6(2)16(18)19)14-8(15-5)9(11,12)13/h1H3,(H,14,15)"	"YPLUNPZVGFKOEU-UHFFFAOYSA-N"	FALSE	FALSE	105	2	3
"89427-41-8"	"DTXSID20237699"	"Benzimidazole, 5-amino-4,6,7-trichloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"NC1=C(Cl)C2N=C(NC=2C(Cl)=C1Cl)C(F)(F)F"	"?"	"InChI=1S/C8H3Cl3F3N3/c9-1-2(10)5-6(3(11)4(1)15)17-7(16-5)8(12,13)14/h15H2,(H,16,17)"	"QNPXUEHCQJDKJS-UHFFFAOYSA-N"	TRUE	FALSE	23	1	2
"89427-42-9"	"DTXSID70237700"	"Benzamide, N-(5,6,7-trichloro-2-(trifluoromethyl)-4-benzimidazolyl)-"	"EPA_DSSTox"	"O=C(NC1C2NC(=NC=2C(Cl)=C(Cl)C=1Cl)C(F)(F)F)C1C=CC=CC=1"	"?"	"InChI=1S/C15H7Cl3F3N3O/c16-7-8(17)10(22-13(25)6-4-2-1-3-5-6)12-11(9(7)18)23-14(24-12)15(19,20)21/h1-5H,(H,22,25)(H,23,24)"	"NTMAKXFTJGNLNN-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"89427-43-0"	"DTXSID30237701"	"Benzimidazole, 4-(dimethylamino)-5,6,7-trichloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"CN(C)C1=C2NC(=NC2=C(Cl)C(Cl)=C1Cl)C(F)(F)F"	"?"	"InChI=1S/C10H7Cl3F3N3/c1-19(2)8-5(13)3(11)4(12)6-7(8)18-9(17-6)10(14,15)16/h1-2H3,(H,17,18)"	"VUBNWEVDRZRFID-UHFFFAOYSA-N"	TRUE	FALSE	22	1	2
"89427-44-1"	"DTXSID90237702"	"4-Benzimidazolesulfonamide, 5,6,7-trichloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"NS(=O)(=O)C1C2N=C(NC=2C(Cl)=C(Cl)C=1Cl)C(F)(F)F"	"?"	"InChI=1S/C8H3Cl3F3N3O2S/c9-1-2(10)4-5(6(3(1)11)20(15,18)19)17-7(16-4)8(12,13)14/h(H,16,17)(H2,15,18,19)"	"UDBODTGRGGNVRH-UHFFFAOYSA-N"	FALSE	FALSE	83	2	3
"89427-45-2"	"DTXSID50237703"	"Benzimidazole, 4,5,6,7-tetramethyl-2-(trifluoromethyl)-"	"EPA_DSSTox"	"CC1=C2N=C(NC2=C(C)C(C)=C1C)C(F)(F)F"	"?"	"InChI=1S/C12H13F3N2/c1-5-6(2)8(4)10-9(7(5)3)16-11(17-10)12(13,14)15/h1-4H3,(H,16,17)"	"PMRKIYCDKYQZJL-UHFFFAOYSA-N"	FALSE	FALSE	58	2	3
"89427-46-3"	"DTXSID10237704"	"Benzimidazole, 5,6-dichloro-4,7-dimethoxy-2-(trifluoromethyl)-"	"EPA_DSSTox"	"COC1=C2N=C(NC2=C(OC)C(Cl)=C1Cl)C(F)(F)F"	"?"	"InChI=1S/C10H7Cl2F3N2O2/c1-18-7-3(11)4(12)8(19-2)6-5(7)16-9(17-6)10(13,14)15/h1-2H3,(H,16,17)"	"RHBLGQMUTIVZQL-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"89427-48-5"	"DTXSID30237706"	"Propionamide, N-(2-(trifluoromethyl)-5-benzimidazolyl)-"	"EPA_DSSTox"	"CCC(=O)NC1C=C2NC(=NC2=CC=1)C(F)(F)F"	"?"	"InChI=1S/C11H10F3N3O/c1-2-9(18)15-6-3-4-7-8(5-6)17-10(16-7)11(12,13)14/h3-5H,2H2,1H3,(H,15,18)(H,16,17)"	"FRIWIMPDXXTXTA-UHFFFAOYSA-N"	TRUE	FALSE	8.919	1	2
"89457-11-4"	"DTXSID30237726"	"Benzimidazole, 4-bromo-5-chloro-6-fluoro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC1=CC2NC(=NC=2C(Br)=C1Cl)C(F)(F)F"	"?"	"InChI=1S/C8H2BrClF4N2/c9-4-5(10)2(11)1-3-6(4)16-7(15-3)8(12,13)14/h1H,(H,15,16)"	"LQPBTVYGNVQAED-UHFFFAOYSA-N"	TRUE	FALSE	7.974	1	2
"89591-51-5"	NA	NA	"Public_CrossChecked"	"CN(C)C1=CC(OC)=C(C=C1[N+]([O-])=O)C(=O)NCCN(CC)CC"	"[Cl-]"	"InChI=1S/C16H26N4O4/c1-6-19(7-2)9-8-17-16(21)12-10-14(20(22)23)13(18(3)4)11-15(12)24-5/h10-11H,6-9H2,1-5H3,(H,17,21)"	"FGTQEICFEHSKTB-UHFFFAOYSA-N"	FALSE	FALSE	856	3	4
"89667-40-3"	"DTXSID4021133"	"Isbogrel"	"EPA_DSSTox"	"OC(=O)CCCCC=C(C1C=NC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C18H19NO2/c20-18(21)12-6-2-5-11-17(15-8-3-1-4-9-15)16-10-7-13-19-14-16/h1,3-4,7-11,13-14H,2,5-6,12H2,(H,20,21)"	"UWPBQLKEHGGKKD-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"89686-69-1"	"DTXSID10869029"	"2,2'-isopropylidenebis(tetrahydrofuran)"	"EPA_DSSTox"	"CC(C)(C1CCCO1)C1CCCO1"	"?"	"InChI=1S/C11H20O2/c1-11(2,9-5-3-7-12-9)10-6-4-8-13-10/h9-10H,3-8H2,1-2H3"	"FZLHAQMQWDDWFI-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"897-15-4"	"DTXSID7047778"	"Dothiepin hydrochloride"	"EPA_DSSTox"	"CN(C)CCC=C1C2C=CC=CC=2CSC2C=CC=CC=21"	"Cl"	"InChI=1S/C19H21NS/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"	"PHTUQLWOUWZIMZ-UHFFFAOYSA-N"	FALSE	FALSE	260	2	3
"897-83-6"	NA	NA	"Public_CrossChecked"	"CCOP(=O)(Oc1cc2oc(=O)ccc2cc1)OCC"	"?"	"InChI=1S/C13H15O6P/c1-3-16-20(15,17-4-2)19-11-7-5-10-6-8-13(14)18-12(10)9-11/h5-9H,3-4H2,1-2H3"	"LZXQXHKDCNQUOF-UHFFFAOYSA-N"	TRUE	FALSE	29	1	2
"89703-10-6"	NA	NA	"Public_CrossChecked"	"CC(C)N1CCN(CC1)C(=O)C1C=CC(=CC=1)OC(=O)C1CCCC2=CC=CC=C21"	"CS(=O)(=O)O"	"InChI=1S/C25H30N2O3/c1-18(2)26-14-16-27(17-15-26)24(28)20-10-12-21(13-11-20)30-25(29)23-9-5-7-19-6-3-4-8-22(19)23/h3-4,6,8,10-13,18,23H,5,7,9,14-17H2,1-2H3"	"BPNWUGVANKCJDV-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"89778-26-7"	"DTXSID3023689"	"Toremifene"	"EPA_DSSTox"	"CN(C)CCOC1C=CC(=CC=1)C(=C(CCCl)C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3"	"XFCLJVABOIYOMF-UHFFFAOYSA-N"	FALSE	FALSE	1700	3	4
"89778-27-8"	"DTXSID2021367"	"Toremifene citrate"	"EPA_DSSTox"	"CN(C)CCOC1C=CC(=CC=1)C(=C(CCCl)C1C=CC=CC=1)C1C=CC=CC=1"	"C(CC(O)(C(=O)O)CC(=O)O)(=O)O"	"InChI=1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3"	"XFCLJVABOIYOMF-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"89784-60-1"	"DTXSID4058493"	"Pyraclofos"	"EPA_DSSTox"	"CCOP(=O)(OC1C=NN(C=1)C1C=CC(Cl)=CC=1)SCCC"	"?"	"InChI=1S/C14H18ClN2O3PS/c1-3-9-22-21(18,19-4-2)20-14-10-16-17(11-14)13-7-5-12(15)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3"	"QHGVXILFMXYDRS-UHFFFAOYSA-N"	FALSE	FALSE	237	2	3
"89786-04-9"	"DTXSID8023634"	"Tazobactam"	"EPA_DSSTox"	"CC1(CN2C=CN=N2)C(C(O)=O)N2C(CC2=O)S1(=O)=O"	"?"	"InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)"	"LPQZKKCYTLCDGQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"89805-39-0"	NA	NA	"Public_CrossChecked"	"CN(CCC1=CC(OC)=C(C=C1)OC)CCC1=CC(OC)=C(C=C1)OC"	"[Cl-]"	"InChI=1S/C21H29NO4/c1-22(12-10-16-6-8-18(23-2)20(14-16)25-4)13-11-17-7-9-19(24-3)21(15-17)26-5/h6-9,14-15H,10-13H2,1-5H3"	"OXZMQFKVNVQMLI-UHFFFAOYSA-N"	FALSE	FALSE	178	2	3
"898566-17-1"	"DTXSID80672128"	"2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene"	"EPA_DSSTox"	"CC1=CC=C(I)C=C1CC1=CC=C(S1)C1C=CC(F)=CC=1"	"?"	"InChI=1S/C18H14FIS/c1-12-2-7-16(20)10-14(12)11-17-8-9-18(21-17)13-3-5-15(19)6-4-13/h2-10H,11H2,1H3"	"MGXZKAYHSITHMW-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"90-02-8"	"DTXSID1021792"	"Salicylaldehyde"	"EPA_DSSTox"	"OC1=CC=CC=C1C=O"	"?"	"InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H"	"SMQUZDBALVYZAC-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"90-04-0"	"DTXSID5023877"	"2-Anisidine"	"EPA_DSSTox"	"COC1C=CC=CC=1N"	"?"	"InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3"	"VMPITZXILSNTON-UHFFFAOYSA-N"	FALSE	FALSE	1505	3	4
"90-12-0"	"DTXSID9020877"	"1-Methylnaphthalene"	"EPA_DSSTox"	"CC1=CC=CC2C=CC=CC=21"	"?"	"InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3"	"QPUYECUOLPXSFR-UHFFFAOYSA-N"	FALSE	FALSE	1840	3	4
"90-13-1"	"DTXSID2024791"	"1-Chloronaphthalene"	"EPA_DSSTox"	"ClC1=CC=CC2C=CC=CC=21"	"?"	"InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H"	"JTPNRXUCIXHOKM-UHFFFAOYSA-N"	FALSE	FALSE	1540	3	4
"90-15-3"	"DTXSID6021793"	"1-Naphthol"	"EPA_DSSTox"	"OC1=CC=CC2C=CC=CC=21"	"?"	"InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H"	"KJCVRFUGPWSIIH-UHFFFAOYSA-N"	FALSE	FALSE	1870	3	4
"90-16-4"	"DTXSID5026544"	"1,2,3-Benzotriazin-4(1H)-one"	"EPA_DSSTox"	"O=C1N=NNC2C=CC=CC=21"	"?"	"InChI=1S/C7H5N3O/c11-7-5-3-1-2-4-6(5)8-10-9-7/h1-4H,(H,8,9,11)"	"DMSSTTLDFWKBSX-UHFFFAOYSA-N"	FALSE	FALSE	595	3	4
"90-17-5"	"DTXSID2047725"	"2,2,2-Trichloro-1-phenylethyl acetate"	"EPA_DSSTox"	"CC(=O)OC(C1C=CC=CC=1)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C10H9Cl3O2/c1-7(14)15-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3"	"JKRWZLOCPLZZEI-UHFFFAOYSA-N"	FALSE	TRUE	6800	4	5
"90-30-2"	"DTXSID2025892"	"N-Phenyl-1-naphthylamine"	"EPA_DSSTox"	"C1=CC=C(NC2C=CC=CC=2)C2C=CC=CC=21"	"?"	"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"	FALSE	FALSE	1625	3	4
"90-33-5"	"DTXSID8025670"	"4-Methylumbelliferone"	"EPA_DSSTox"	"CC1=CC(=O)OC2C=C(O)C=CC=21"	"?"	"InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3"	"HSHNITRMYYLLCV-UHFFFAOYSA-N"	FALSE	TRUE	3850	3	5
"90-39-1"	"DTXSID4023591"	"Sparteine"	"EPA_DSSTox"	"C1C2CC(CC3CCCCN31)N1CCCCC12"	"?"	"InChI=1S/C15H26N2/c1-3-7-16-11-12-9-14(10-13(16)5-1)17-8-4-2-6-15(12)17/h12-15H,1-11H2"	"FAVXIFMWJHLGSS-UHFFFAOYSA-N"	FALSE	FALSE	960	3	4
"90-41-5"	"DTXSID3030189"	"2-Biphenylamine"	"EPA_DSSTox"	"NC1C=CC=CC=1C1C=CC=CC=1"	"?"	"InChI=1S/C12H11N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,13H2"	"TWBPWBPGNQWFSJ-UHFFFAOYSA-N"	FALSE	TRUE	2340	3	5
"90-42-6"	"DTXSID8047424"	"1,1'-Bi(cyclohexyl)-2-one"	"EPA_DSSTox"	"O=C1CCCCC1C1CCCCC1"	"?"	"InChI=1S/C12H20O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-11H,1-9H2"	"UOBQDYFTAJKQAL-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"90-49-3"	"DTXSID4020612"	"Ethylphenylacetylurea"	"EPA_DSSTox"	"CCC(C1C=CC=CC=1)C(=O)NC(N)=O"	"?"	"InChI=1S/C11H14N2O2/c1-2-9(10(14)13-11(12)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H3,12,13,14,15)"	"AJOQSQHYDOFIOX-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"90-72-2"	"DTXSID5026548"	"2,4,6-Tris(dimethylaminomethyl)phenol"	"EPA_DSSTox"	"CN(C)CC1=CC(CN(C)C)=C(O)C(CN(C)C)=C1"	"?"	"InChI=1S/C15H27N3O/c1-16(2)9-12-7-13(10-17(3)4)15(19)14(8-12)11-18(5)6/h7-8,19H,9-11H2,1-6H3"	"AHDSRXYHVZECER-UHFFFAOYSA-N"	FALSE	FALSE	1200	3	4
"90-82-4"	"DTXSID0023537"	"Pseudoephedrine"	"EPA_DSSTox"	"CC(NC)C(O)C1C=CC=CC=1"	"?"	"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3"	"KWGRBVOPPLSCSI-UHFFFAOYSA-N"	FALSE	FALSE	660	3	4
"90-84-6"	"DTXSID6022929"	"Diethylpropion"	"EPA_DSSTox"	"CC(C(=O)C1C=CC=CC=1)N(CC)CC"	"?"	"InChI=1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3"	"XXEPPPIWZFICOJ-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"90-87-9"	"DTXSID6047109"	"2-Phenylpropionaldehyde dimethyl acetal"	"EPA_DSSTox"	"CC(C(OC)OC)C1C=CC=CC=1"	"?"	"InChI=1S/C11H16O2/c1-9(11(12-2)13-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3"	"UFOUDYPOSJJEDJ-UHFFFAOYSA-N"	FALSE	FALSE	1850	3	4
"9000-30-0"	NA	NA	"Public_CrossChecked"	"NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1"	"[Na+].[Na+]"	"InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)"	"SUYVUBYJARFZHO-UHFFFAOYSA-N"	FALSE	TRUE	6770	4	5
"9000-38-8"	NA	NA	"Public_CrossChecked"	"COC1CC(C=CC2=CCCC=C2)OC(=O)C=1"	"?"	"InChI=1S/C14H16O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h3,5-8,10,12H,2,4,9H2,1H3"	"OMNGEVNATYFZGG-UHFFFAOYSA-N"	FALSE	TRUE	16000	4	5
"9000-40-2"	NA	NA	"Public_CrossChecked"	"CCOC(=O)C(Cl)N=NC1C=CC=CC=1"	"?"	"InChI=1S/C10H11ClN2O2/c1-2-15-10(14)9(11)13-12-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3"	"ONXOVUAXOZHTPY-UHFFFAOYSA-N"	FALSE	TRUE	13000	4	5
"9001-73-4"	NA	NA	"Public_CrossChecked"	"NCCC(=O)NC(CC1=CN=CN1)C(O)=O"	"?"	"InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)"	"CQOVPNPJLQNMDC-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"9002-89-5"	NA	NA	"Public_CrossChecked"	"CC=O"	"?"	"InChI=1S/C2H4O/c1-2-3/h2H,1H3"	"IKHGUXGNUITLKF-UHFFFAOYSA-N"	FALSE	TRUE	23854	4	5
"9002-93-1"	NA	NA	"Public_CrossChecked"	"CC(C)(C)CC(C)(C)C1C=CC(=CC=1)OCCO"	"?"	"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"	FALSE	FALSE	1800	3	4
"9003-35-4"	"DTXSID2049713"	"Phenol-formaldehyde resin"	"EPA_DSSTox"	"OC1C=CC=CC=1"	"C=O"	"InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H"	"ISWSIDIOOBJBQZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"90035-08-8"	"DTXSID1058212"	"Flocoumafen"	"EPA_DSSTox"	"OC1=C(C2CC(CC3=CC=CC=C32)C2C=CC(=CC=2)OCC2C=CC(=CC=2)C(F)(F)F)C(=O)OC2=CC=CC=C21"	"?"	"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/h1-16,23,28,37H,17-19H2"	"KKBGNYHHEIAGOH-UHFFFAOYSA-N"	TRUE	FALSE	0.25	1	1
"9004-57-3"	"DTXSID0049608"	"Ethylcellulose"	"EPA_DSSTox"	"CCOC1C(O)C(OC2OC(COCC)C(O)C(COCC)C2O)C(CO)OC1O"	"?"	"InChI=1S/C19H36O11/c1-4-25-8-10-13(21)12(9-26-5-2)29-19(14(10)22)30-16-11(7-20)28-18(24)17(15(16)23)27-6-3/h10-24H,4-9H2,1-3H3"	"GJQHNBFXPPDVQM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"9004-82-4"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCCCCOCCOS(O)(=O)=O"	"?"	"InChI=1S/C14H30O5S/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17/h2-14H2,1H3,(H,15,16,17)"	"QTDIEDOANJISNP-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"9004-86-8"	NA	NA	"Public_CrossChecked"	"O=C(OCCOC(=O)C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C16H14O4/c17-15(13-7-3-1-4-8-13)19-11-12-20-16(18)14-9-5-2-6-10-14/h1-10H,11-12H2"	"XFDQLDNQZFOAFK-UHFFFAOYSA-N"	FALSE	TRUE	5340	4	5
"9004-95-9"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO"	"?"	"InChI=1S/C56H114O21/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-58-19-21-60-23-25-62-27-29-64-31-33-66-35-37-68-39-41-70-43-45-72-47-49-74-51-53-76-55-56-77-54-52-75-50-48-73-46-44-71-42-40-69-38-36-67-34-32-65-30-28-63-26-24-61-22-20-59-18-16-57/h57H,2-56H2,1H3"	"NLMKTBGFQGKQEV-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"9004-98-2"	NA	NA	"Public_CrossChecked"	"CCCCCCCCC=CCCCCCCCCOCCO"	"?"	"InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h9-10,21H,2-8,11-20H2,1H3"	"KWVPFECTOKLOBL-UHFFFAOYSA-N"	FALSE	TRUE	2700	3	5
"9004-99-3"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCCCCCCCCCC(=O)OCCO"	"?"	"InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h21H,2-19H2,1H3"	"RFVNOJDQRGSOEL-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"9005-00-9"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCCCCCCCCCCOCCO"	"?"	"InChI=1S/C20H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h21H,2-20H2,1H3"	"ICIDSZQHPUZUHC-UHFFFAOYSA-N"	FALSE	FALSE	1900	3	4
"9005-38-3"	"DTXSID0040410"	"Sodium alginate"	"EPA_DSSTox"	"OC1OC(C(O)C(O)C1O)C(O)=O"	"?"	"InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)"	"AEMOLEFTQBMNLQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"9006-42-2"	NA	NA	"Public_CrossChecked"	"SC(=S)NCCNC(S)=S"	"[Zn+2]"	"InChI=1S/C4H8N2S4/c7-3(8)5-1-2-6-4(9)10/h1-2H2,(H2,5,7,8)(H2,6,9,10)"	"AWYFNIZYMPNGAI-UHFFFAOYSA-N"	FALSE	TRUE	2850	3	5
"901-44-0"	"DTXSID6029204"	"Ethanol, 2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis-"	"EPA_DSSTox"	"CC(C)(C1C=CC(=CC=1)OCCO)C1C=CC(=CC=1)OCCO"	"?"	"InChI=1S/C19H24O4/c1-19(2,15-3-7-17(8-4-15)22-13-11-20)16-5-9-18(10-6-16)23-14-12-21/h3-10,20-21H,11-14H2,1-2H3"	"UUAGPGQUHZVJBQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"901-82-6"	NA	NA	"Public_CrossChecked"	"CC1C(=O)OC2CCN3CC=C(COC(=O)C(C)(O)C1(C)O)C32"	"Cl"	"InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3"	"QVCMHGGNRFRMAD-UHFFFAOYSA-N"	TRUE	FALSE	45.5	1	2
"90101-16-9"	"DTXSID70238035"	"Droxicam"	"EPA_DSSTox"	"CN1C2C(=O)N(C3=CC=CC=N3)C(=O)OC=2C2=CC=CC=C2S1(=O)=O"	"?"	"InChI=1S/C16H11N3O5S/c1-18-13-14(10-6-2-3-7-11(10)25(18,22)23)24-16(21)19(15(13)20)12-8-4-5-9-17-12/h2-9H,1H3"	"OEHFRZLKGRKFAS-UHFFFAOYSA-N"	FALSE	FALSE	1434	3	4
"9014-90-8"	"DTXSID1042310"	"Polyethylene glycol nonylphenyl ether sulfate sodium salt"	"EPA_DSSTox"	"CCCCCCCCCC1=CC=C(C=C1)OCCOS(O)(=O)=O"	"[Na+]"	"InChI=1S/C17H28O5S/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)21-14-15-22-23(18,19)20/h10-13H,2-9,14-15H2,1H3,(H,18,19,20)"	"LYXIQGSHERAWKV-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"90220-14-7"	NA	NA	"Public_CrossChecked"	"CP(=O)(OCCC)SCCC"	"?"	"InChI=1S/C7H17O2PS/c1-4-6-9-10(3,8)11-7-5-2/h4-7H2,1-3H3"	"HXQZRGKPDOYCCP-UHFFFAOYSA-N"	TRUE	FALSE	1.2	1	1
"90220-15-8"	NA	NA	"Public_CrossChecked"	"CCP(=O)(OCCC)SCCC"	"?"	"InChI=1S/C8H19O2PS/c1-4-7-10-11(9,6-3)12-8-5-2/h4-8H2,1-3H3"	"PMQIYZHLHSBCEO-UHFFFAOYSA-N"	TRUE	FALSE	1.8	1	1
"90220-16-9"	NA	NA	"Public_CrossChecked"	"CCP(=O)(OC)SCCC"	"?"	"InChI=1S/C6H15O2PS/c1-4-6-10-9(7,5-2)8-3/h4-6H2,1-3H3"	"BFPKJCXDJWMOQX-UHFFFAOYSA-N"	TRUE	FALSE	2.5	1	1
"90220-19-2"	NA	NA	"Public_CrossChecked"	"CCCP(=O)(OC)SC"	"?"	"InChI=1S/C5H13O2PS/c1-4-5-8(6,7-2)9-3/h4-5H2,1-3H3"	"KHDOCIXBNDMHPL-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"90220-20-5"	NA	NA	"Public_CrossChecked"	"CCCCP(=O)(OC)SC"	"?"	"InChI=1S/C6H15O2PS/c1-4-5-6-9(7,8-2)10-3/h4-6H2,1-3H3"	"MBBWHUDMOAASLP-UHFFFAOYSA-N"	FALSE	FALSE	52	2	3
"90245-33-3"	NA	NA	"Public_CrossChecked"	"COP(=O)(CC)SCC"	"?"	"InChI=1S/C5H13O2PS/c1-4-8(6,7-3)9-5-2/h4-5H2,1-3H3"	"VIRFWZXOEASPIZ-UHFFFAOYSA-N"	TRUE	FALSE	9.9	1	2
"90268-24-9"	NA	NA	"Public_CrossChecked"	"CC1=CC(C)=C(C=C1)NC(=O)C(N=NC1C=CC(=CC=1Cl)C1=CC(Cl)=C(C=C1)N=NC(C(=O)NC1C=C(OC)C(Cl)=CC=1OC)C(C)=O)C(C)=O"	"?"	"InChI=1S/C36H33Cl3N6O6/c1-18-7-10-27(19(2)13-18)40-35(48)33(20(3)46)44-42-28-11-8-22(14-24(28)37)23-9-12-29(25(38)15-23)43-45-34(21(4)47)36(49)41-30-17-31(50-5)26(39)16-32(30)51-6/h7-17,33-34H,1-6H3,(H,40,48)(H,41,49)"	"CTCGHGAGCLXAHB-UHFFFAOYSA-N"	FALSE	TRUE	2228	3	5
"9046-10-0"	"DTXSID4049745"	"Polyoxypropylenediamine"	"EPA_DSSTox"	"CC(COCCCN)COCCN"	"?"	"InChI=1S/C9H22N2O2/c1-9(8-13-6-4-11)7-12-5-2-3-10/h9H,2-8,10-11H2,1H3"	"JAIPWULQVOEKJZ-UHFFFAOYSA-N"	FALSE	FALSE	242	2	3
"90494-79-4"	"DTXSID5046724"	"Xaliproden hydrochloride"	"EPA_DSSTox"	"FC(F)(F)C1C=C(C=CC=1)C1CCN(CC=1)CCC1C=CC2C=CC=CC=2C=1"	"Cl"	"InChI=1S/C24H22F3N/c25-24(26,27)23-7-3-6-22(17-23)20-11-14-28(15-12-20)13-10-18-8-9-19-4-1-2-5-21(19)16-18/h1-9,11,16-17H,10,12-15H2"	"WJJYZXPHLSLMGE-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"905-30-6"	NA	NA	"Public_CrossChecked"	"CC12CCC3C(CC=C4C=C(CCC43C)N3CCCC3)C1CCC2=O"	"?"	"InChI=1S/C23H33NO/c1-22-11-9-17(24-13-3-4-14-24)15-16(22)5-6-18-19-7-8-21(25)23(19,2)12-10-20(18)22/h5,15,18-20H,3-4,6-14H2,1-2H3"	"RYMKCRPGXRRYQV-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"9050-04-8"	NA	NA	"Public_CrossChecked"	"COC1=CC2C(NC(C)CCCN(CC)CC)=C3C=C(Cl)C=CC3=NC=2C=C1"	"?"	"InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-14-17(24)9-11-21(19)26-22-12-10-18(28-4)15-20(22)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)"	"SVUDQUZYHLUPQN-UHFFFAOYSA-N"	FALSE	TRUE	4400	3	5
"9050-67-3"	"DTXSID00238184"	"Sizofiran"	"EPA_DSSTox"	"OC1OC(CO)C(O)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1O"	"?"	"InChI=1S/C24H42O21/c25-1-5-9(28)13(32)15(34)22(41-5)39-4-8-12(31)20(45-23-16(35)14(33)10(29)6(2-26)42-23)18(37)24(43-8)44-19-11(30)7(3-27)40-21(38)17(19)36/h5-38H,1-4H2"	"WDQLRUYAYXDIFW-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"90622-57-4"	NA	NA	"Public_CrossChecked"	"CCCCCCCCC(C)C"	"?"	"InChI=1S/C11H24/c1-4-5-6-7-8-9-10-11(2)3/h11H,4-10H2,1-3H3"	"CNPVJWYWYZMPDS-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"90729-41-2"	"DTXSID50869063"	"Oxodipine"	"EPA_DSSTox"	"COC(=O)C1C(C(C(=O)OCC)=C(C)N=C1C)C1C=CC=C2OCOC=12"	"?"	"InChI=1S/C19H21NO6/c1-5-24-19(22)15-11(3)20-10(2)14(18(21)23-4)16(15)12-7-6-8-13-17(12)26-9-25-13/h6-8,14,16H,5,9H2,1-4H3"	"KPXMQNVOPUYOKS-UHFFFAOYSA-N"	FALSE	FALSE	1100	3	4
"90729-43-4"	"DTXSID6046472"	"Ebastine"	"EPA_DSSTox"	"CC(C)(C)C1C=CC(=CC=1)C(=O)CCCN1CCC(CC1)OC(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3"	"MJJALKDDGIKVBE-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"9084-06-4"	"DTXSID6029709"	"Naphthalenesulfonic acid, polymer with formaldehyde, sodium salt"	"EPA_DSSTox"	"OS(=O)(=O)C1=CC2C=CC=C(CC3=CC=CC4C=C(C=CC=43)S(O)(=O)=O)C=2C=C1"	"[Na+].[Na+]"	"InChI=1S/C21H16O6S2/c22-28(23,24)18-7-9-20-14(3-1-5-16(20)12-18)11-15-4-2-6-17-13-19(29(25,26)27)8-10-21(15)17/h1-10,12-13H,11H2,(H,22,23,24)(H,25,26,27)"	"XQFKOAKYKWUBKQ-UHFFFAOYSA-N"	FALSE	TRUE	3800	3	5
"90842-58-3"	"DTXSID5074684"	"Benzene, 1-butoxy-2,3,4,5,6-pentachloro-"	"EPA_DSSTox"	"CCCCOC1C(Cl)=C(Cl)C(Cl)=C(Cl)C=1Cl"	"?"	"InChI=1S/C10H9Cl5O/c1-2-3-4-16-10-8(14)6(12)5(11)7(13)9(10)15/h2-4H2,1H3"	"WZEKHHYDVVXEED-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"90982-32-4"	"DTXSID0023955"	"Chlorimuron-ethyl"	"EPA_DSSTox"	"COC1C=C(Cl)N=C(NC(=O)NS(=O)(=O)C2C=CC=CC=2C(=O)OCC)N=1"	"?"	"InChI=1S/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22)"	"NSWAMPCUPHPTTC-UHFFFAOYSA-N"	FALSE	TRUE	4102	3	5
"90992-25-9"	NA	NA	"Public_CrossChecked"	"CC1C=C(C)C=C(C)[N+]=1NC(=O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O"	"?"	"InChI=1S/C15H16ClN3O3S/c1-9-6-10(2)19(11(3)7-9)18-15(20)12-4-5-13(16)14(8-12)23(17,21)22/h4-8H,1-3H3,(H2-,17,18,20,21,22)/p+1"	"PNDYDXDNOWKEBO-UHFFFAOYSA-O"	FALSE	TRUE	NA	4	5
"91-01-0"	"DTXSID2059015"	"Diphenylmethanol"	"EPA_DSSTox"	"OC(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H"	"QILSFLSDHQAZET-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"91-10-1"	"DTXSID2052607"	"2,6-Dimethoxyphenol"	"EPA_DSSTox"	"COC1=CC=CC(OC)=C1O"	"?"	"InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3"	"KLIDCXVFHGNTTM-UHFFFAOYSA-N"	FALSE	FALSE	550	3	4
"91-15-6"	"DTXSID8029604"	"1,2-Benzenedicarbonitrile"	"EPA_DSSTox"	"N#CC1=CC=CC=C1C#N"	"?"	"InChI=1S/C8H4N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H"	"XQZYPMVTSDWCCE-UHFFFAOYSA-N"	TRUE	FALSE	30	1	2
"91-17-8"	"DTXSID1024912"	"Decalin"	"EPA_DSSTox"	"C1CCCC2CCCCC21"	"?"	"InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2"	"NNBZCPXTIHJBJL-UHFFFAOYSA-N"	FALSE	TRUE	4170	3	5
"91-22-5"	"DTXSID1021798"	"Quinoline"	"EPA_DSSTox"	"C1=CC=NC2C=CC=CC=21"	"?"	"InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H"	"SMWDFEZZVXVKRB-UHFFFAOYSA-N"	FALSE	FALSE	331	2	4
"91-23-6"	"DTXSID3020962"	"1-Methoxy-2-nitrobenzene"	"EPA_DSSTox"	"COC1C=CC=CC=1[N+]([O-])=O"	"?"	"InChI=1S/C7H7NO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3"	"CFBYEGUGFPZCNF-UHFFFAOYSA-N"	FALSE	FALSE	740	3	4
"91-33-8"	"DTXSID4022658"	"Benzthiazide"	"EPA_DSSTox"	"NS(=O)(=O)C1C=C2C(=CC=1Cl)N=C(CSCC1C=CC=CC=1)NS2(=O)=O"	"?"	"InChI=1S/C15H14ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)(H2,17,20,21)"	"NDTSRXAMMQDVSW-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"91-44-1"	"DTXSID9025035"	"7-Diethylamino-4-methylcoumarin"	"EPA_DSSTox"	"CC1=CC(=O)OC2C=C(C=CC1=2)N(CC)CC"	"?"	"InChI=1S/C14H17NO2/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11/h6-9H,4-5H2,1-3H3"	"AFYCEAFSNDLKSX-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"91-51-0"	"DTXSID2052609"	"Methyl 2-[[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropylidene]amino]benzoate"	"EPA_DSSTox"	"COC(=O)C1C=CC=CC=1N=NC(C)CC1C=CC(=CC=1)C(C)(C)C"	"?"	"InChI=1S/C21H26N2O2/c1-15(14-16-10-12-17(13-11-16)21(2,3)4)22-23-19-9-7-6-8-18(19)20(24)25-5/h6-13,15H,14H2,1-5H3"	"HCYRUADDKFDUII-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"91-62-3"	"DTXSID3020887"	"6-Methylquinoline"	"EPA_DSSTox"	"CC1=CC2C=CC=NC=2C=C1"	"?"	"InChI=1S/C10H9N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h2-7H,1H3"	"LUYISICIYVKBTA-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"91-87-2"	"DTXSID1052612"	"[2-(Dimethoxymethyl)-1-heptenyl]benzene"	"EPA_DSSTox"	"CCCCCC(=CC1C=CC=CC=1)C(OC)OC"	"?"	"InChI=1S/C16H24O2/c1-4-5-7-12-15(16(17-2)18-3)13-14-10-8-6-9-11-14/h6,8-11,13,16H,4-5,7,12H2,1-3H3"	"QCHZKUPVENJLAW-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"91-94-1"	"DTXSID6020432"	"3,3'-Dichlorobenzidine"	"EPA_DSSTox"	"NC1C=CC(=CC=1Cl)C1=CC(Cl)=C(N)C=C1"	"?"	"InChI=1S/C12H10Cl2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2"	"HUWXDEQWWKGHRV-UHFFFAOYSA-N"	FALSE	TRUE	3820	3	5
"91-97-4"	"DTXSID7041463"	"3,3'-Dimethyl-4,4'-diphenylene diisocyanate"	"EPA_DSSTox"	"CC1C=C(C=CC=1N=C=O)C1C=C(C)C(=CC=1)N=C=O"	"?"	"InChI=1S/C16H12N2O2/c1-11-7-13(3-5-15(11)17-9-19)14-4-6-16(18-10-20)12(2)8-14/h3-8H,1-2H3"	"ICLCCFKUSALICQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"91-99-6"	"DTXSID5059036"	"Ethanol, 2,2'-[(3-methylphenyl)imino]bis-"	"EPA_DSSTox"	"CC1C=C(C=CC=1)N(CCO)CCO"	"?"	"InChI=1S/C11H17NO2/c1-10-3-2-4-11(9-10)12(5-7-13)6-8-14/h2-4,9,13-14H,5-8H2,1H3"	"VMNDRLYLEVCGAG-UHFFFAOYSA-N"	FALSE	TRUE	3100	3	5
"91040-94-7"	"DTXSID90238375"	"2-Naphthaleneacetic acid, 6-acetyl-"	"EPA_DSSTox"	"CC(=O)C1C=C2C=CC(CC(O)=O)=CC2=CC=1"	"?"	"InChI=1S/C14H12O3/c1-9(15)11-4-5-12-6-10(7-14(16)17)2-3-13(12)8-11/h2-6,8H,7H2,1H3,(H,16,17)"	"APDGGZHZAXDVQI-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"91040-95-8"	"DTXSID50238376"	"2-Naphthaleneacetic acid, 6-(2-methyl-1-oxopropyl)-"	"EPA_DSSTox"	"CC(C)C(=O)C1C=C2C=CC(CC(O)=O)=CC2=CC=1"	"?"	"InChI=1S/C16H16O3/c1-10(2)16(19)14-6-5-12-7-11(8-15(17)18)3-4-13(12)9-14/h3-7,9-10H,8H2,1-2H3,(H,17,18)"	"DYQZFKYDCVBNCQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"91040-96-9"	"DTXSID10238377"	"2-Naphthaleneacetic acid, 6-(2-methylpropyl)-"	"EPA_DSSTox"	"CC(C)CC1=CC2C=CC(CC(O)=O)=CC=2C=C1"	"?"	"InChI=1S/C16H18O2/c1-11(2)7-12-3-5-15-9-13(10-16(17)18)4-6-14(15)8-12/h3-6,8-9,11H,7,10H2,1-2H3,(H,17,18)"	"CJOVLAFQKCRCFU-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"911-45-5"	"DTXSID1022843"	"Clomiphene"	"EPA_DSSTox"	"CCN(CCOC1C=CC(=CC=1)C(=C(Cl)C1C=CC=CC=1)C1C=CC=CC=1)CC"	"?"	"InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3"	"GKIRPKYJQBWNGO-UHFFFAOYSA-N"	FALSE	TRUE	5750	4	5
"91132-80-8"	NA	NA	"Public_CrossChecked"	"CC(C)C1NC(=O)C2C=CC=CC=2O1"	"?"	"InChI=1S/C11H13NO2/c1-7(2)11-12-10(13)8-5-3-4-6-9(8)14-11/h3-7,11H,1-2H3,(H,12,13)"	"ITSWJRRWFLDUEY-UHFFFAOYSA-N"	FALSE	FALSE	1850	3	4
"91315-15-0"	"DTXSID1058216"	"Aldimorph"	"EPA_DSSTox"	"CCCCCCCCCCCCN1CC(C)OC(C)C1"	"?"	"InChI=1S/C18H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-19-15-17(2)20-18(3)16-19/h17-18H,4-16H2,1-3H3"	"SBUKOHLFHYSZNG-UHFFFAOYSA-N"	FALSE	TRUE	3500	3	5
"91374-20-8"	"DTXSID50238533"	"Ropinirole hydrochloride [USAN:USP]"	"EPA_DSSTox"	"CCCN(CCC)CCC1=CC=CC2NC(=O)CC1=2"	"Cl"	"InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)"	"UHSKFQJFRQCDBE-UHFFFAOYSA-N"	FALSE	FALSE	396	2	4
"91374-21-9"	"DTXSID8045195"	"Ropinirole"	"EPA_DSSTox"	"CCCN(CCC)CCC1C=CC=C2NC(=O)CC=12"	"?"	"InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)"	"UHSKFQJFRQCDBE-UHFFFAOYSA-N"	FALSE	FALSE	862	3	4
"91465-08-6"	"DTXSID7032559"	"lambda-Cyhalothrin"	"EPA_DSSTox"	"CC1(C)C(C1C=C(Cl)C(F)(F)F)C(=O)OC(C#N)C1C=CC=C(C=1)OC1C=CC=CC=1"	"?"	"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"	"ZXQYGBMAQZUVMI-UHFFFAOYSA-N"	FALSE	FALSE	56	2	3
"915-30-0"	"DTXSID8022951"	"Diphenoxylate"	"EPA_DSSTox"	"CCOC(=O)C1(CCN(CCC(C#N)(C2C=CC=CC=2)C2C=CC=CC=2)CC1)C1C=CC=CC=1"	"?"	"InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3"	"HYPPXZBJBPSRLK-UHFFFAOYSA-N"	FALSE	FALSE	221	2	3
"915-67-3"	"DTXSID2021232"	"Amaranth"	"EPA_DSSTox"	"OC1C(=CC2=CC(=CC=C2C=1N=NC1=CC=C(C2=CC=CC=C21)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O"	"[Na+].[Na+].[Na+]"	"InChI=1S/C20H14N2O10S3/c23-20-18(35(30,31)32)10-11-9-12(33(24,25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32)"	"IRPXADUBAQAOKL-UHFFFAOYSA-N"	FALSE	TRUE	6000	4	5
"915095-87-3"	NA	NA	"Public_CrossChecked"	"O=C(C1C=C(I)C=CC=1Cl)C1C=CC(=CC=1)OC1COCC1"	"?"	"InChI=1S/C17H14ClIO3/c18-16-6-3-12(19)9-15(16)17(20)11-1-4-13(5-2-11)22-14-7-8-21-10-14/h1-6,9,14H,7-8,10H2"	"WBBJCIOCSVFCNI-UHFFFAOYSA-N"	FALSE	FALSE	NA	NA	4
"915095-94-2"	NA	NA	"Public_CrossChecked"	"ClC1C=CC(I)=CC=1CC1C=CC(=CC=1)OC1COCC1"	"?"	"InChI=1S/C17H16ClIO2/c18-17-6-3-14(19)10-13(17)9-12-1-4-15(5-2-12)21-16-7-8-20-11-16/h1-6,10,16H,7-9,11H2"	"YLUHNGIWRCCQMQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"91595-86-7"	NA	NA	"Public_CrossChecked"	"NC1=NCC(CN2CCN(CC2)C2C=CC=CC=2)O1"	"?"	"InChI=1S/C14H20N4O/c15-14-16-10-13(19-14)11-17-6-8-18(9-7-17)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H2,15,16)"	"XSZLHACSCSAKOF-UHFFFAOYSA-N"	FALSE	FALSE	575	3	4
"91599-74-5"	"DTXSID2049050"	"rac Benidipine hydrochloride"	"EPA_DSSTox"	"COC(=O)C1C(C(C(=O)OC2CN(CC3C=CC=CC=3)CCC2)=C(C)NC=1C)C1=CC(=CC=C1)[N+]([O-])=O"	"Cl"	"InChI=1S/C28H31N3O6/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20/h4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3"	"QZVNQOLPLYWLHQ-UHFFFAOYSA-N"	FALSE	FALSE	87.6	2	3
"917-61-3"	"DTXSID2061274"	"Cyanic acid, sodium salt"	"EPA_DSSTox"	"N=C=O"	"[Na+]"	"InChI=1S/CHNO/c2-1-3/h2H"	"OWIKHYCFFJSOEH-UHFFFAOYSA-N"	FALSE	FALSE	582	3	4
"917-92-0"	"DTXSID70238671"	"3,3-Dimethylbutyne"	"EPA_DSSTox"	"CC(C)(C)C#C"	"?"	"InChI=1S/C6H10/c1-5-6(2,3)4/h1H,2-4H3"	"PPWNCLVNXGCGAF-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"918-85-4"	"DTXSID90870794"	"1-Penten-3-ol, 3-methyl-"	"EPA_DSSTox"	"CCC(C)(O)C=C"	"?"	"InChI=1S/C6H12O/c1-4-6(3,7)5-2/h4,7H,1,5H2,2-3H3"	"HFYAEUXHCMTPOL-UHFFFAOYSA-N"	FALSE	FALSE	700	3	4
"91832-40-5"	"DTXSID8046084"	"Cefdinir"	"EPA_DSSTox"	"C=CC1CSC2C(NC(=O)C(N=O)C3=CSC(N)=N3)C(=O)N2C=1C(O)=O"	"?"	"InChI=1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,7-8,12H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)"	"ARLUIXDNJOUYAM-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"918504-27-5"	"DTXSID30475207"	"N-[3-(5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide"	"EPA_DSSTox"	"CCCS(=O)(=O)NC1C=CC(F)=C(C(=O)C2=CNC3N=CC(Br)=CC2=3)C=1F"	"?"	"InChI=1S/C17H14BrF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)"	"TVFGCDQPUZGXMQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"91893-26-4"	"DTXSID30238733"	"Ethanesulfonamide, 2-((((2-chloroethyl)amino)carbonyl)amino)-N,N-dimethyl-"	"EPA_DSSTox"	"CN(C)S(=O)(=O)CCNC(=O)NCCCl"	"?"	"InChI=1S/C7H16ClN3O3S/c1-11(2)15(13,14)6-5-10-7(12)9-4-3-8/h3-6H2,1-2H3,(H2,9,10,12)"	"RUIGAHCLEIQCRC-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"91893-35-5"	"DTXSID50238735"	"Ethanesulfonamide, 2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-"	"EPA_DSSTox"	"NS(=O)(=O)CCNC(=O)N(CCCl)N=O"	"?"	"InChI=1S/C5H11ClN4O4S/c6-1-3-10(9-12)5(11)8-2-4-15(7,13)14/h1-4H2,(H,8,11)(H2,7,13,14)"	"WPXCIIMXSGOMHQ-UHFFFAOYSA-N"	TRUE	FALSE	40	1	2
"91893-36-6"	"DTXSID10238736"	"Piperidine, 1-((2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)ethyl)sulfonyl)-"	"EPA_DSSTox"	"O=S(=O)(CCNC(=O)N(CCCl)N=O)N1CCCCC1"	"?"	"InChI=1S/C10H19ClN4O4S/c11-4-8-15(13-17)10(16)12-5-9-20(18,19)14-6-2-1-3-7-14/h1-9H2,(H,12,16)"	"CVMVXHUAVILQEG-UHFFFAOYSA-N"	FALSE	FALSE	125	2	3
"91893-37-7"	"DTXSID70238737"	"Ethanesulfonamide, 2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-N-methyl-"	"EPA_DSSTox"	"CNS(=O)(=O)CCNC(=O)N(CCCl)N=O"	"?"	"InChI=1S/C6H13ClN4O4S/c1-8-16(14,15)5-3-9-6(12)11(10-13)4-2-7/h8H,2-5H2,1H3,(H,9,12)"	"SATDQZURIZSSKI-UHFFFAOYSA-N"	TRUE	FALSE	40	1	2
"91893-38-8"	"DTXSID30238738"	"Ethanesulfonamide, 2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-N,N-dipropyl-"	"EPA_DSSTox"	"CCCN(CCC)S(=O)(=O)CCNC(=O)N(CCCl)N=O"	"?"	"InChI=1S/C11H23ClN4O4S/c1-3-7-15(8-4-2)21(19,20)10-6-13-11(17)16(14-18)9-5-12/h3-10H2,1-2H3,(H,13,17)"	"UZGRTWBSSSBFBV-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"91893-39-9"	"DTXSID90238739"	"Ethanesulfonamide, 2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-N-(phenylmethyl)-"	"EPA_DSSTox"	"O=C(NCCS(=O)(=O)NCC1C=CC=CC=1)N(CCCl)N=O"	"?"	"InChI=1S/C12H17ClN4O4S/c13-6-8-17(16-19)12(18)14-7-9-22(20,21)15-10-11-4-2-1-3-5-11/h1-5,15H,6-10H2,(H,14,18)"	"LPXGZKNGUJJRLR-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"91893-64-0"	"DTXSID60238741"	"1-Butanesulfonamide, 4-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-N,N-dimethyl-"	"EPA_DSSTox"	"CN(C)S(=O)(=O)CCCCNC(=O)N(CCCl)N=O"	"?"	"InChI=1S/C9H19ClN4O4S/c1-13(2)19(17,18)8-4-3-6-11-9(15)14(12-16)7-5-10/h3-8H2,1-2H3,(H,11,15)"	"XRRCROCEBQBJHF-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"91893-68-4"	"DTXSID20238742"	"Ethanesulfonamide, 2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-N-ethyl-N-propyl-"	"EPA_DSSTox"	"CCCN(CC)S(=O)(=O)CCNC(=O)N(CCCl)N=O"	"?"	"InChI=1S/C10H21ClN4O4S/c1-3-7-14(4-2)20(18,19)9-6-12-10(16)15(13-17)8-5-11/h3-9H2,1-2H3,(H,12,16)"	"VBYJDSHYVNCROJ-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"919-30-2"	"DTXSID2027333"	"3-Aminopropyltriethoxysilane"	"EPA_DSSTox"	"CCO[Si](CCCN)(OCC)OCC"	"?"	"InChI=1S/C9H23NO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-10H2,1-3H3"	"WYTZZXDRDKSJID-UHFFFAOYSA-N"	FALSE	FALSE	1570	3	4
"919-53-9"	NA	NA	"Public_CrossChecked"	"COC(=O)CSP(=S)(OCC)OCC"	"?"	"InChI=1S/C7H15O4PS2/c1-4-10-12(13,11-5-2)14-6-7(8)9-3/h4-6H2,1-3H3"	"NOZSNNNGJMTFCM-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"919-54-0"	"DTXSID9041572"	"Acethion"	"EPA_DSSTox"	"CCOC(=O)CSP(=S)(OCC)OCC"	"?"	"InChI=1S/C8H17O4PS2/c1-4-10-8(9)7-15-13(14,11-5-2)12-6-3/h4-7H2,1-3H3"	"AISZOMRXKKCPIS-UHFFFAOYSA-N"	FALSE	FALSE	1100	3	4
"919-76-6"	"DTXSID2041595"	"Amidithion"	"EPA_DSSTox"	"COCCNC(=O)CSP(=S)(OC)OC"	"?"	"InChI=1S/C7H16NO4PS2/c1-10-5-4-8-7(9)6-15-13(14,11-2)12-3/h4-6H2,1-3H3,(H,8,9)"	"GDTZUQIYUMGJRT-UHFFFAOYSA-N"	FALSE	FALSE	420	2	4
"919-86-8"	"DTXSID5037521"	"Demeton-S-methyl"	"EPA_DSSTox"	"CCSCCSP(=O)(OC)OC"	"?"	"InChI=1S/C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3/h4-6H2,1-3H3"	"WEBQKRLKWNIYKK-UHFFFAOYSA-N"	TRUE	FALSE	30	1	2
"919-94-8"	"DTXSID7061279"	"Butane, 2-ethoxy-2-methyl-"	"EPA_DSSTox"	"CC(C)(CC)OCC"	"?"	"InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3"	"KFRVYYGHSPLXSZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"92-00-2"	"DTXSID4026557"	"2,2'-(3-Chlorophenylimino)diethanol"	"EPA_DSSTox"	"OCCN(CCO)C1C=CC=C(Cl)C=1"	"?"	"InChI=1S/C10H14ClNO2/c11-9-2-1-3-10(8-9)12(4-6-13)5-7-14/h1-3,8,13-14H,4-7H2"	"MVQUJEUCFOGFJU-UHFFFAOYSA-N"	FALSE	TRUE	5150	4	5
"92-09-1"	"DTXSID4043779"	"N-{2-[(4-amino-3-methylphenyl)(ethyl)amino]ethyl}methanesulfonamide"	"EPA_DSSTox"	"CC1C=C(C=CC=1N)N(CCNS(C)(=O)=O)CC"	"?"	"InChI=1S/C12H21N3O2S/c1-4-15(8-7-14-18(3,16)17)11-5-6-12(13)10(2)9-11/h5-6,9,14H,4,7-8,13H2,1-3H3"	"NPKFETRYYSUTEC-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"92-13-7"	"DTXSID1021162"	"Pilocarpine"	"EPA_DSSTox"	"CCC1C(COC1=O)CC1=CN=CN1C"	"?"	"InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3"	"QCHFTSOMWOSFHM-UHFFFAOYSA-N"	FALSE	FALSE	402	2	4
"92-36-4"	"DTXSID5024502"	"Dehydrothio-4-toluidine"	"EPA_DSSTox"	"CC1=CC2SC(=NC=2C=C1)C1C=CC(N)=CC=1"	"?"	"InChI=1S/C14H12N2S/c1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10/h2-8H,15H2,1H3"	"XRTJYEIMLZALBD-UHFFFAOYSA-N"	FALSE	TRUE	5650	4	5
"92-43-3"	"DTXSID1049433"	"3-Pyrazolidinone,1-phenyl-"	"EPA_DSSTox"	"O=C1CCN(N1)C1C=CC=CC=1"	"?"	"InChI=1S/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)"	"CMCWWLVWPDLCRM-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"92-48-8"	"DTXSID9025588"	"6-Methyl coumarin"	"EPA_DSSTox"	"CC1C=C2C=CC(=O)OC2=CC=1"	"?"	"InChI=1S/C10H8O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3"	"FXFYOPQLGGEACP-UHFFFAOYSA-N"	FALSE	FALSE	1680	3	4
"92-49-9"	"DTXSID6052615"	"N-(2-Chloroethyl)-N-ethylaniline"	"EPA_DSSTox"	"CCN(CCCl)C1C=CC=CC=1"	"?"	"InChI=1S/C10H14ClN/c1-2-12(9-8-11)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3"	"DBDNQNARCHWMSP-UHFFFAOYSA-N"	FALSE	FALSE	616	3	4
"92-50-2"	"DTXSID3059056"	"Ethanol, 2-(ethylphenylamino)-"	"EPA_DSSTox"	"CCN(CCO)C1C=CC=CC=1"	"?"	"InChI=1S/C10H15NO/c1-2-11(8-9-12)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3"	"HYVGFUIWHXLVNV-UHFFFAOYSA-N"	FALSE	FALSE	1640	3	4
"92-52-4"	"DTXSID4020161"	"Biphenyl"	"EPA_DSSTox"	"C1=CC=CC=C1C1C=CC=CC=1"	"?"	"InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H"	"ZUOUZKKEUPVFJK-UHFFFAOYSA-N"	FALSE	TRUE	2140	3	5
"92-53-5"	"DTXSID8059057"	"Morpholine, 4-phenyl-"	"EPA_DSSTox"	"C1CN(CCO1)C1C=CC=CC=1"	"?"	"InChI=1S/C10H13NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5H,6-9H2"	"FHQRDEDZJIFJAL-UHFFFAOYSA-N"	FALSE	FALSE	930	3	4
"92-54-6"	"DTXSID8057855"	"Phenylpiperazine"	"EPA_DSSTox"	"C1CN(CCN1)C1C=CC=CC=1"	"?"	"InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2"	"YZTJYBJCZXZGCT-UHFFFAOYSA-N"	FALSE	FALSE	210	2	3
"92-61-5"	"DTXSID0075368"	"Scopoletin"	"EPA_DSSTox"	"COC1C=C2C=CC(=O)OC2=CC=1O"	"?"	"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3"	"RODXRVNMMDRFIK-UHFFFAOYSA-N"	FALSE	TRUE	3800	3	5
"92-67-1"	"DTXSID5020071"	"4-Biphenylamine"	"EPA_DSSTox"	"NC1C=CC(=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2"	"DMVOXQPQNTYEKQ-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"92-69-3"	"DTXSID7021152"	"4-Phenylphenol"	"EPA_DSSTox"	"OC1C=CC(=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H"	"YXVFYQXJAXKLAK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"92-70-6"	"DTXSID3026560"	"3-Hydroxy-2-naphthoic acid"	"EPA_DSSTox"	"OC1=CC2=CC=CC=C2C=C1C(O)=O"	"?"	"InChI=1S/C11H8O3/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6,12H,(H,13,14)"	"ALKYHXVLJMQRLQ-UHFFFAOYSA-N"	FALSE	FALSE	809	3	4
"92-72-8"	"DTXSID2059061"	"2-Naphthalenecarboxamide, N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-"	"EPA_DSSTox"	"COC1=CC(OC)=C(C=C1Cl)NC(=O)C1=CC2C=CC=CC=2C=C1O"	"?"	"InChI=1S/C19H16ClNO4/c1-24-17-10-18(25-2)15(9-14(17)20)21-19(23)13-7-11-5-3-4-6-12(11)8-16(13)22/h3-10,22H,1-2H3,(H,21,23)"	"XDWATWCCUTYUDE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"92-79-5"	"DTXSID2059067"	"2-Naphthalenecarboxamide, 3-hydroxy-N-(4-methoxyphenyl)-"	"EPA_DSSTox"	"COC1C=CC(=CC=1)NC(=O)C1=CC2C=CC=CC=2C=C1O"	"?"	"InChI=1S/C18H15NO3/c1-22-15-8-6-14(7-9-15)19-18(21)16-10-12-4-2-3-5-13(12)11-17(16)20/h2-11,20H,1H3,(H,19,21)"	"UIXFPIHXQQZAGX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"92-81-9"	"DTXSID4073887"	"Acridine, 9,10-dihydro-"	"EPA_DSSTox"	"C1C2=CC=CC=C2NC2C=CC=CC=21"	"?"	"InChI=1S/C13H11N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8,14H,9H2"	"HJCUTNIGJHJGCF-UHFFFAOYSA-N"	FALSE	TRUE	2140	3	5
"92-87-5"	"DTXSID2020137"	"Benzidine"	"EPA_DSSTox"	"NC1C=CC(=CC=1)C1C=CC(N)=CC=1"	"?"	"InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2"	"HFACYLZERDEVSX-UHFFFAOYSA-N"	FALSE	FALSE	309	2	4
"92-88-6"	"DTXSID1029120"	"4,4'-Biphenyldiol"	"EPA_DSSTox"	"OC1C=CC(=CC=1)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C12H10O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H"	"VCCBEIPGXKNHFW-UHFFFAOYSA-N"	FALSE	TRUE	4920	3	5
"92-94-4"	"DTXSID6029121"	"1,1':4',1''-Terphenyl"	"EPA_DSSTox"	"C1=CC(=CC=C1C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"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"	FALSE	TRUE	NA	4	5
"92065-18-4"	NA	NA	"Public_CrossChecked"	"CC(=NOC(=O)NC)SC(CC)C(N)=O"	"?"	"InChI=1S/C8H15N3O3S/c1-4-6(7(9)12)15-5(2)11-14-8(13)10-3/h6H,4H2,1-3H3,(H2,9,12)(H,10,13)"	"HMJRJJMWNOLUIK-UHFFFAOYSA-N"	TRUE	FALSE	14.1	1	2
"92077-78-6"	"DTXSID00238846"	"Cilazapril monohydrate"	"EPA_DSSTox"	"CCOC(=O)C(CCC1C=CC=CC=1)NC1CCCN2CCCC(C(O)=O)N2C1=O"	"O"	"InChI=1S/C22H31N3O5/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28)"	"HHHKFGXWKKUNCY-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"921-09-5"	"DTXSID2073938"	"1,3-Butadiene, 1,1,2,3-tetrachloro-"	"EPA_DSSTox"	"C=C(Cl)C(Cl)=C(Cl)Cl"	"?"	"InChI=1S/C4H2Cl4/c1-2(5)3(6)4(7)8/h1H2"	"RCBKHVTUYAGMLB-UHFFFAOYSA-N"	FALSE	FALSE	421	2	4
"923-02-4"	"DTXSID2027335"	"2-Propenamide, N-(hydroxymethyl)-2-methyl-"	"EPA_DSSTox"	"CC(=C)C(=O)NCO"	"?"	"InChI=1S/C5H9NO2/c1-4(2)5(8)6-3-7/h7H,1,3H2,2H3,(H,6,8)"	"DNTMQTKDNSEIFO-UHFFFAOYSA-N"	FALSE	FALSE	853	3	4
"92320-57-5"	"DTXSID80238965"	"Propionamide, 2-(p-chlorophenoxy)-N-(2-(dimethylamino)ethyl)-2-methyl-"	"EPA_DSSTox"	"CN(C)CCNC(=O)C(C)(C)OC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C14H21ClN2O2/c1-14(2,13(18)16-9-10-17(3)4)19-12-7-5-11(15)6-8-12/h5-8H,9-10H2,1-4H3,(H,16,18)"	"CFVANZOOUNMRET-UHFFFAOYSA-N"	FALSE	FALSE	130	2	3
"92327-36-1"	NA	NA	"Public_CrossChecked"	"CCN(CCC1=NC(=NO1)C1C=CC(=O)C=C1)CC"	"?"	"InChI=1S/C14H19N3O2/c1-3-17(4-2)10-9-13-15-14(16-19-13)11-5-7-12(18)8-6-11/h5-8,11H,3-4,9-10H2,1-2H3"	"LOMDXQINXPBTKT-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"924-16-3"	"DTXSID2021026"	"N-Nitrosodibutylamine"	"EPA_DSSTox"	"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"	FALSE	FALSE	1200	3	4
"924-42-5"	"DTXSID3020885"	"N-Methylolacrylamide"	"EPA_DSSTox"	"C=CC(=O)NCO"	"?"	"InChI=1S/C4H7NO2/c1-2-4(7)5-3-6/h2,6H,1,3H2,(H,5,7)"	"CNCOEDDPFOAUMB-UHFFFAOYSA-N"	FALSE	FALSE	474	2	4
"924-88-9"	"DTXSID9044740"	"Dipropan-2-yl butanedioate"	"EPA_DSSTox"	"CC(C)OC(=O)CCC(=O)OC(C)C"	"?"	"InChI=1S/C10H18O4/c1-7(2)13-9(11)5-6-10(12)14-8(3)4/h7-8H,5-6H2,1-4H3"	"YPLYFEUBZLLLIY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"92448-79-8"	NA	NA	"Public_CrossChecked"	"CCC(C)(C)C1CCC(CC1)C1C(=O)C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C21H26O3/c1-4-21(2,3)14-11-9-13(10-12-14)17-18(22)15-7-5-6-8-16(15)19(23)20(17)24/h5-8,13-14,17H,4,9-12H2,1-3H3"	"JJRWXIQGAJBKBW-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"92454-60-9"	NA	NA	"Public_CrossChecked"	"CC(C(CC)=CC(N=O)C(N)=O)[N+]([O-])=O"	"?"	"InChI=1S/C8H13N3O4/c1-3-6(5(2)11(14)15)4-7(10-13)8(9)12/h4-5,7H,3H2,1-2H3,(H2,9,12)"	"MLSOFIZUAONVQM-UHFFFAOYSA-N"	FALSE	FALSE	651	3	4
"925-15-5"	"DTXSID80239018"	"Succinic acid, dipropyl ester"	"EPA_DSSTox"	"CCCOC(=O)CCC(=O)OCCC"	"?"	"InChI=1S/C10H18O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-8H2,1-2H3"	"SZHZCPHKDJWHNG-UHFFFAOYSA-N"	FALSE	TRUE	6490	4	5
"925-83-7"	"DTXSID30883606"	"Decanedioic acid, 1,10-dihydrazide"	"EPA_DSSTox"	"NNC(=O)CCCCCCCCC(=O)NN"	"?"	"InChI=1S/C10H22N4O2/c11-13-9(15)7-5-3-1-2-4-6-8-10(16)14-12/h1-8,11-12H2,(H,13,15)(H,14,16)"	"ZWLIYXJBOIDXLL-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"926-63-6"	"DTXSID8074813"	"N,N-Dimethylpropylamine"	"EPA_DSSTox"	"CCCN(C)C"	"?"	"InChI=1S/C5H13N/c1-4-5-6(2)3/h4-5H2,1-3H3"	"ZUHZZVMEUAUWHY-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"926-93-2"	NA	NA	"Public_CrossChecked"	"CNC(=S)NNC(=S)NC(C)C=C"	"?"	"InChI=1S/C7H14N4S2/c1-4-5(2)9-7(13)11-10-6(12)8-3/h4-5H,1H2,2-3H3,(H2,8,10,12)(H2,9,11,13)"	"CGFFKDRVHZIQHL-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"92671-67-5"	NA	NA	"Public_CrossChecked"	"CC(C)C1OCC2=C(OC(C)=O)C(C)=NC=C2CO1"	"?"	"InChI=1S/C14H19NO4/c1-8(2)14-17-6-11-5-15-9(3)13(19-10(4)16)12(11)7-18-14/h5,8,14H,6-7H2,1-4H3"	"BINHDFHXALYLJN-UHFFFAOYSA-N"	FALSE	TRUE	2850	3	5
"927-62-8"	"DTXSID8047472"	"N,N-Dimethylbutylamine"	"EPA_DSSTox"	"CCCCN(C)C"	"?"	"InChI=1S/C6H15N/c1-4-5-6-7(2)3/h4-6H2,1-3H3"	"DJEQZVQFEPKLOY-UHFFFAOYSA-N"	FALSE	FALSE	184	2	3
"928-40-5"	NA	NA	"Public_CrossChecked"	"CC(O)CCCCO"	"?"	"InChI=1S/C6H14O2/c1-6(8)4-2-3-5-7/h6-8H,2-5H2,1H3"	"UNVGBIALRHLALK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"928-53-0"	NA	NA	"Public_CrossChecked"	"N#CC=CC#N"	"?"	"InChI=1S/C4H2N2/c5-3-1-2-4-6/h1-2H"	"KYPOHTVBFVELTG-UHFFFAOYSA-N"	TRUE	FALSE	40	1	2
"928-70-1"	"DTXSID50883608"	"Carbonodithioic acid, O-(3-methylbutyl) ester, potassium salt (1:1)"	"EPA_DSSTox"	"CC(C)CCOC(S)=S"	"[K+]"	"InChI=1S/C6H12OS2/c1-5(2)3-4-7-6(8)9/h5H,3-4H2,1-2H3,(H,8,9)"	"CONMNFZLRNYHIQ-UHFFFAOYSA-N"	FALSE	FALSE	765	3	4
"928-72-3"	"DTXSID1027340"	"Glycine, N-(carboxymethyl)-, disodium salt"	"EPA_DSSTox"	"OC(=O)CNCC(O)=O"	"[Na+].[Na+]"	"InChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)"	"NBZBKCUXIYYUSX-UHFFFAOYSA-N"	FALSE	TRUE	8070	4	5
"928-95-0"	"DTXSID2047062"	"(E)-2-Hexen-1-ol"	"EPA_DSSTox"	"CCCC=CCO"	"?"	"InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3"	"ZCHHRLHTBGRGOT-UHFFFAOYSA-N"	FALSE	TRUE	3500	3	5
"928-96-1"	"DTXSID6022137"	"(Z)-3-Hexen-1-ol"	"EPA_DSSTox"	"CCC=CCCO"	"?"	"InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3"	"UFLHIIWVXFIJGU-UHFFFAOYSA-N"	FALSE	TRUE	4700	3	5
"92823-03-5"	"DTXSID20239158"	"Flomoxef sodium"	"EPA_DSSTox"	"COC1(NC(=O)CSC(F)F)C2OCC(CSC3=NN=NN3CCO)=C(C(O)=O)N2C1=O"	"[Na] |^1:0|"	"InChI=1S/C15H18F2N6O7S2/c1-29-15(18-8(25)6-31-13(16)17)11(28)23-9(10(26)27)7(4-30-12(15)23)5-32-14-19-20-21-22(14)2-3-24/h12-13,24H,2-6H2,1H3,(H,18,25)(H,26,27)"	"UHRBTBZOWWGKMK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"929-17-9"	"DTXSID10239182"	"omega-Aminoenantic acid"	"EPA_DSSTox"	"NCCCCCCC(O)=O"	"?"	"InChI=1S/C7H15NO2/c8-6-4-2-1-3-5-7(9)10/h1-6,8H2,(H,9,10)"	"XDOLZJYETYVRKV-UHFFFAOYSA-N"	FALSE	TRUE	9000	4	5
"929-37-3"	"DTXSID9075456"	"Diethylene glycol monovinyl ether"	"EPA_DSSTox"	"C=COCCOCCO"	"?"	"InChI=1S/C6H12O3/c1-2-8-5-6-9-4-3-7/h2,7H,1,3-6H2"	"WULAHPYSGCVQHM-UHFFFAOYSA-N"	FALSE	TRUE	4930	3	5
"92929-94-7"	NA	NA	"Public_CrossChecked"	"CC(C)(C)C(O)(COC1C=CC(C=NOC)=CC=1)CN1C=NC=N1"	"?"	"InChI=1S/C17H24N4O3/c1-16(2,3)17(22,10-21-13-18-12-19-21)11-24-15-7-5-14(6-8-15)9-20-23-4/h5-9,12-13,22H,10-11H2,1-4H3"	"ARVBIHYXZWVWQZ-UHFFFAOYSA-N"	FALSE	FALSE	921	3	4
"92953-10-1"	"DTXSID7045601"	"Clofilium tosylate"	"EPA_DSSTox"	"CCCCCCC[N+](CCCCC1C=CC(Cl)=CC=1)(CC)CC"	"CC1=CC=C(S([O-])(=O)=O)C=C1"	"InChI=1S/C21H37ClN/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20/h14-17H,4-13,18-19H2,1-3H3/q+1"	"WPSYTTKBGAZSCX-UHFFFAOYSA-N"	FALSE	FALSE	456	2	4
"93-02-7"	"DTXSID5052620"	"2,5-Dimethoxybenzaldehyde"	"EPA_DSSTox"	"COC1C=CC(=CC=1C=O)OC"	"?"	"InChI=1S/C9H10O3/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-6H,1-2H3"	"AFUKNJHPZAVHGQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"93-04-9"	"DTXSID7044392"	"2-Methoxynaphthalene"	"EPA_DSSTox"	"COC1C=C2C=CC=CC2=CC=1"	"?"	"InChI=1S/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3"	"LUZDYPLAQQGJEA-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"93-09-4"	"DTXSID1059078"	"2-Naphthalenecarboxylic acid"	"EPA_DSSTox"	"OC(=O)C1C=C2C=CC=CC2=CC=1"	"?"	"InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)"	"UOBYKYZJUGYBDK-UHFFFAOYSA-N"	FALSE	TRUE	4500	3	5
"93-14-1"	"DTXSID5023114"	"Guaifenesin"	"EPA_DSSTox"	"COC1=CC=CC=C1OCC(O)CO"	"?"	"InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3"	"HSRJKNPTNIJEKV-UHFFFAOYSA-N"	FALSE	FALSE	1510	3	4
"93-16-3"	"DTXSID0052621"	"4-Prop-1-enylveratrole"	"EPA_DSSTox"	"CC=CC1C=C(OC)C(=CC=1)OC"	"?"	"InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3"	"NNWHUJCUHAELCL-UHFFFAOYSA-N"	FALSE	TRUE	2500	3	5
"93-18-5"	"DTXSID2049684"	"2-Ethoxynaphthalene"	"EPA_DSSTox"	"CCOC1=CC2=CC=CC=C2C=C1"	"?"	"InChI=1S/C12H12O/c1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3"	"GUMOJENFFHZAFP-UHFFFAOYSA-N"	FALSE	TRUE	3110	3	5
"93-19-6"	"DTXSID5052622"	"2-(2-Methylpropyl)quinoline"	"EPA_DSSTox"	"CC(C)CC1C=CC2=CC=CC=C2N=1"	"?"	"InChI=1S/C13H15N/c1-10(2)9-12-8-7-11-5-3-4-6-13(11)14-12/h3-8,10H,9H2,1-2H3"	"FAQVGPWFQGGIPP-UHFFFAOYSA-N"	FALSE	FALSE	1020	3	4
"93-20-9"	NA	NA	"Public_CrossChecked"	"OCCOC1=CC2C=CC=CC=2C=C1"	"?"	"InChI=1S/C12H12O2/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2"	"BQPBZDSDFCDSAO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"93-23-2"	"DTXSID5042087"	"2-Dodecylisoquinolinium bromide"	"EPA_DSSTox"	"CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1"	"[Br-]"	"InChI=1S/C21H32N/c1-2-3-4-5-6-7-8-9-10-13-17-22-18-16-20-14-11-12-15-21(20)19-22/h11-12,14-16,18-19H,2-10,13,17H2,1H3/q+1"	"ZFCMISKWVFUWHP-UHFFFAOYSA-N"	FALSE	FALSE	230	2	3
"93-28-7"	"DTXSID5052624"	"Acetyleugenol"	"EPA_DSSTox"	"CC(=O)OC1=CC=C(CC=C)C=C1OC"	"?"	"InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4,6-8H,1,5H2,2-3H3"	"SCCDQYPEOIRVGX-UHFFFAOYSA-N"	FALSE	FALSE	1670	3	4
"93-45-8"	"DTXSID8025701"	"4-(2-Naphthylamino)phenol"	"EPA_DSSTox"	"OC1C=CC(=CC=1)NC1=CC2C=CC=CC=2C=C1"	"?"	"InChI=1S/C16H13NO/c18-16-9-7-14(8-10-16)17-15-6-5-12-3-1-2-4-13(12)11-15/h1-11,17-18H"	"RACMGQBQYYWANW-UHFFFAOYSA-N"	FALSE	TRUE	5200	4	5
"93-51-6"	"DTXSID6047105"	"2-Methoxy-4-methylphenol"	"EPA_DSSTox"	"CC1C=CC(O)=C(C=1)OC"	"?"	"InChI=1S/C8H10O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5,9H,1-2H3"	"PETRWTHZSKVLRE-UHFFFAOYSA-N"	FALSE	FALSE	740	3	4
"93-53-8"	"DTXSID0052629"	"Hydratropaldehyde"	"EPA_DSSTox"	"CC(C=O)C1C=CC=CC=1"	"?"	"InChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3"	"IQVAERDLDAZARL-UHFFFAOYSA-N"	FALSE	TRUE	2800	3	5
"93-58-3"	"DTXSID5025572"	"Methyl benzoate"	"EPA_DSSTox"	"COC(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3"	"QPJVMBTYPHYUOC-UHFFFAOYSA-N"	FALSE	FALSE	1177	3	4
"93-65-2"	"DTXSID9024194"	"Mecoprop"	"EPA_DSSTox"	"CC1C=C(Cl)C=CC=1OC(C)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"	FALSE	FALSE	650	3	4
"93-68-5"	"DTXSID3026562"	"N-(2-Methylphenyl)-3-oxobutanamide"	"EPA_DSSTox"	"CC(=O)CC(=O)NC1C=CC=CC=1C"	"?"	"InChI=1S/C11H13NO2/c1-8-5-3-4-6-10(8)12-11(14)7-9(2)13/h3-6H,7H2,1-2H3,(H,12,14)"	"TVZIWRMELPWPPR-UHFFFAOYSA-N"	FALSE	FALSE	1024	3	4
"93-69-6"	"DTXSID3042051"	"1-(o-Tolyl)biguanide"	"EPA_DSSTox"	"[H]/N=C(/NC1C=CC=CC=1C)\N/C(/N)=N/[H]"	"?"	"InChI=1S/C9H13N5/c1-6-4-2-3-5-7(6)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)"	"SQZCAOHYQSOZCE-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"93-70-9"	"DTXSID9052630"	"N-(2-Chlorophenyl)-3-oxobutanamide"	"EPA_DSSTox"	"CC(=O)CC(=O)NC1=CC=CC=C1Cl"	"?"	"InChI=1S/C10H10ClNO2/c1-7(13)6-10(14)12-9-5-3-2-4-8(9)11/h2-5H,6H2,1H3,(H,12,14)"	"BFVHBHKMLIBQNN-UHFFFAOYSA-N"	FALSE	TRUE	4040	3	5
"93-78-7"	"DTXSID7041332"	"2,4,5-T-isopropyl"	"EPA_DSSTox"	"CC(C)OC(=O)COC1C=C(Cl)C(Cl)=CC=1Cl"	"?"	"InChI=1S/C11H11Cl3O3/c1-6(2)17-11(15)5-16-10-4-8(13)7(12)3-9(10)14/h3-4,6H,5H2,1-2H3"	"SXHQLHGHMREHMX-UHFFFAOYSA-N"	FALSE	FALSE	495	2	4
"93-84-5"	"DTXSID9059092"	"2H-Benzimidazol-2-one, 1,3-dihydro-5-nitro-"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC2NC(=O)NC=2C=C1"	"?"	"InChI=1S/C7H5N3O3/c11-7-8-5-2-1-4(10(12)13)3-6(5)9-7/h1-3H,(H2,8,9,11)"	"DLJZIPVEVJOKHB-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"93-89-0"	"DTXSID3038696"	"Ethyl benzoate"	"EPA_DSSTox"	"CCOC(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3"	"MTZQAGJQAFMTAQ-UHFFFAOYSA-N"	FALSE	TRUE	2100	3	5
"93-90-3"	"DTXSID9059094"	"Ethanol, 2-(methylphenylamino)-"	"EPA_DSSTox"	"CN(CCO)C1C=CC=CC=1"	"?"	"InChI=1S/C9H13NO/c1-10(7-8-11)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3"	"VIIZJXNVVJKISZ-UHFFFAOYSA-N"	FALSE	TRUE	2830	3	5
"93-96-9"	NA	NA	"Public_CrossChecked"	"CC(OC(C)C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C16H18O/c1-13(15-9-5-3-6-10-15)17-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3"	"WXAVSTZWKNIWCN-UHFFFAOYSA-N"	FALSE	TRUE	9800	4	5
"930-02-9"	"DTXSID2061305"	"Octadecane, 1-(ethenyloxy)-"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCCOC=C"	"?"	"InChI=1S/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2/h4H,2-3,5-20H2,1H3"	"QJJDJWUCRAPCOL-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"930-09-6"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO"	"?"	"InChI=1S/C25H52O7/c1-2-3-4-5-6-7-8-9-10-11-12-14-27-16-18-29-20-22-31-24-25-32-23-21-30-19-17-28-15-13-26/h26H,2-25H2,1H3"	"GDLHTTMISPHZCZ-UHFFFAOYSA-N"	FALSE	FALSE	1400	3	4
"930-55-2"	"DTXSID8021062"	"N-Nitrosopyrrolidine"	"EPA_DSSTox"	"O=NN1CCCC1"	"?"	"InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2"	"WNYADZVDBIBLJJ-UHFFFAOYSA-N"	FALSE	FALSE	900	3	4
"931-97-5"	"DTXSID2024878"	"Cyclohexanone cyanohydrin"	"EPA_DSSTox"	"N#CC1(O)CCCCC1"	"?"	"InChI=1S/C7H11NO/c8-6-7(9)4-2-1-3-5-7/h9H,1-5H2"	"ZDBRPNZOTCHLSP-UHFFFAOYSA-N"	TRUE	FALSE	10	1	2
"93105-81-8"	NA	NA	"Public_CrossChecked"	"OC(=O)C1=CC=C(CCCCCCCCCCCCCCCCCCO)C=C1Cl"	"?"	"InChI=1S/C25H41ClO3/c26-24-21-22(18-19-23(24)25(28)29)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-20-27/h18-19,21,27H,1-17,20H2,(H,28,29)"	"PICKAYZUZRFBDW-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"93106-60-6"	"DTXSID1045619"	"Enrofloxacin"	"EPA_DSSTox"	"CCN1CCN(CC1)C1=CC2=C(C=C1F)C(=O)C(=CN2C1CC1)C(O)=O"	"?"	"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"	FALSE	TRUE	5001	4	5
"93107-08-5"	"DTXSID1047788"	"Ciprofloxacin hydrochloride"	"EPA_DSSTox"	"OC(=O)C1=CN(C2CC2)C2C=C(C(F)=CC=2C1=O)N1CCNCC1"	"Cl"	"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"	FALSE	TRUE	NA	4	5
"93181-85-2"	"DTXSID10239309"	"Endixaprine"	"EPA_DSSTox"	"OC1CCN(CC1)C1=CC=C(N=N1)C1=CC=C(Cl)C=C1Cl"	"?"	"InChI=1S/C15H15Cl2N3O/c16-10-1-2-12(13(17)9-10)14-3-4-15(19-18-14)20-7-5-11(21)6-8-20/h1-4,9,11,21H,5-8H2"	"COWWILCLLRVLSC-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"932-64-9"	"DTXSID80883616"	"3H-1,2,4-Triazol-3-one, 1,2-dihydro-5-nitro-"	"EPA_DSSTox"	"[O-][N+](=O)C1NNC(=O)N=1"	"?"	"InChI=1S/C2H2N4O3/c7-2-3-1(4-5-2)6(8)9/h(H2,3,4,5,7)"	"QJTIRVUEVSKJTK-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"933-48-2"	"DTXSID1047570"	"(1R,5R)-3,3,5-trimethylcyclohexanol"	"EPA_DSSTox"	"CC1CC(O)CC(C)(C)C1"	"?"	"InChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3"	"BRRVXFOKWJKTGG-UHFFFAOYSA-N"	FALSE	TRUE	2400	3	5
"934-73-6"	"DTXSID8023975"	"4-Chlorophenyl methyl sulfoxide"	"EPA_DSSTox"	"CS(=O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C7H7ClOS/c1-10(9)7-4-2-6(8)3-5-7/h2-5H,1H3"	"UBDUBBTYCRJUHW-UHFFFAOYSA-N"	FALSE	FALSE	463	2	4
"93503-00-5"	NA	NA	"Public_CrossChecked"	"CC1SC(C)(C)SC1=NOC(=O)NC"	"?"	"InChI=1S/C8H14N2O2S2/c1-5-6(10-12-7(11)9-4)14-8(2,3)13-5/h5H,1-4H3,(H,9,11)"	"RLNVTXJDTJWBGM-UHFFFAOYSA-N"	TRUE	FALSE	1.02	1	1
"93503-03-8"	NA	NA	"Public_CrossChecked"	"CCCC(=O)N(C)C(=O)ON=C1CSCCS1"	"?"	"InChI=1S/C10H16N2O3S2/c1-3-4-9(13)12(2)10(14)15-11-8-7-16-5-6-17-8/h3-7H2,1-2H3"	"YNMPYEYPRKKZCC-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"93697-74-6"	"DTXSID9058496"	"Pyrazosulfuron-ethyl"	"EPA_DSSTox"	"CCOC(=O)C1C=NN(C)C=1S(=O)(=O)NC(=O)NC1N=C(C=C(N=1)OC)OC"	"?"	"InChI=1S/C14H18N6O7S/c1-5-27-12(21)8-7-15-20(2)11(8)28(23,24)19-14(22)18-13-16-9(25-3)6-10(17-13)26-4/h6-7H,5H2,1-4H3,(H2,16,17,18,19,22)"	"BGNQYGRXEXDAIQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"93738-40-0"	"DTXSID8043947"	"Ralitoline"	"EPA_DSSTox"	"CC1C=CC=C(Cl)C=1NC(=O)C=C1SCC(=O)N1C"	"?"	"InChI=1S/C13H13ClN2O2S/c1-8-4-3-5-9(14)13(8)15-10(17)6-12-16(2)11(18)7-19-12/h3-6H,7H2,1-2H3,(H,15,17)"	"YJXQTIXFPYPQFT-UHFFFAOYSA-N"	FALSE	FALSE	1350	3	4
"93793-83-0"	"DTXSID2046670"	"Roxatidine acetate hydrochloride"	"EPA_DSSTox"	"CC(=O)OCC(=O)NCCCOC1C=C(CN2CCCCC2)C=CC=1"	"Cl"	"InChI=1S/C19H28N2O4/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23)"	"SMTZFNFIKUPEJC-UHFFFAOYSA-N"	FALSE	FALSE	755	3	4
"938-18-1"	"DTXSID20239653"	"Mesitoyl chloride"	"EPA_DSSTox"	"CC1C=C(C)C=C(C)C=1C(=O)Cl"	"?"	"InChI=1S/C10H11ClO/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3"	"UKRQMDIFLKHCRO-UHFFFAOYSA-N"	FALSE	TRUE	2300	3	5
"938-73-8"	"DTXSID4020581"	"2-Ethoxybenzamide"	"EPA_DSSTox"	"CCOC1C=CC=CC=1C(N)=O"	"?"	"InChI=1S/C9H11NO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H2,10,11)"	"SBNKFTQSBPKMBZ-UHFFFAOYSA-N"	FALSE	TRUE	2200	3	5
"93839-20-4"	"DTXSID70239729"	"N-(4-(Aminocarbonyl)phenyl)-4-methoxy-3-nitrobenzamide"	"EPA_DSSTox"	"COC1=CC=C(C=C1[N+]([O-])=O)C(=O)NC1C=CC(=CC=1)C(N)=O"	"?"	"InChI=1S/C15H13N3O5/c1-23-13-7-4-10(8-12(13)18(21)22)15(20)17-11-5-2-9(3-6-11)14(16)19/h2-8H,1H3,(H2,16,19)(H,17,20)"	"JXHSJUAPWJKPLE-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"93839-21-5"	"DTXSID80239730"	"N-(4-(Aminocarbonyl)phenyl)-4-nitrobenzamide"	"EPA_DSSTox"	"NC(=O)C1C=CC(=CC=1)NC(=O)C1C=CC(=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C14H11N3O4/c15-13(18)9-1-5-11(6-2-9)16-14(19)10-3-7-12(8-4-10)17(20)21/h1-8H,(H2,15,18)(H,16,19)"	"FANLHXKNWWSLIG-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"93864-33-6"	NA	NA	"Public_CrossChecked"	"CCN(CCC1=NC(=NO1)C1C=CC=C(O)C=1)CC"	"?"	"InChI=1S/C14H19N3O2/c1-3-17(4-2)9-8-13-15-14(16-19-13)11-6-5-7-12(18)10-11/h5-7,10,18H,3-4,8-9H2,1-2H3"	"JYZREZKFCPJPCO-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"939-48-0"	"DTXSID9044746"	"Propan-2-yl benzoate"	"EPA_DSSTox"	"CC(C)OC(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C10H12O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-8H,1-2H3"	"FEXQDZTYJVXMOS-UHFFFAOYSA-N"	FALSE	TRUE	3730	3	5
"939-80-0"	"DTXSID50239868"	"Benzonitrile, 4-chloro-3-nitro-"	"EPA_DSSTox"	"N#CC1C=C(C(Cl)=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C7H3ClN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H"	"XBLPHYSLHRGMNW-UHFFFAOYSA-N"	FALSE	TRUE	2050	3	5
"93981-02-3"	"DTXSID30240078"	"4,4'-Bis((4-((2-hydroxyethyl)amino)-6-(m-sulphoanilino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, sodium salt"	"EPA_DSSTox"	"OS(=O)(=O)C1C=C(C=CC=1)NC1N=C(NC2=CC(=C(C=C2)C=CC2=CC=C(C=C2S(O)(=O)=O)NC2N=C(NC3C=C(C=CC=3)S(O)(=O)=O)N=C(NCCO)N=2)S(O)(=O)=O)N=C(NCCO)N=1"	"[Na+].[Na+].[Na+].[Na+]"	"InChI=1S/C36H36N12O14S4/c49-15-13-37-31-43-33(39-23-3-1-5-27(17-23)63(51,52)53)47-35(45-31)41-25-11-9-21(29(19-25)65(57,58)59)7-8-22-10-12-26(20-30(22)66(60,61)62)42-36-46-32(38-14-16-50)44-34(48-36)40-24-4-2-6-28(18-24)64(54,55)56/h1-12,17-20,49-50H,13-16H2,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48)"	"BCSZQTDMXPAYQX-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"94-04-2"	"DTXSID4052633"	"Ethenyl 2-ethylhexanoate"	"EPA_DSSTox"	"CCCCC(CC)C(=O)OC=C"	"?"	"InChI=1S/C10H18O2/c1-4-7-8-9(5-2)10(11)12-6-3/h6,9H,3-5,7-8H2,1-2H3"	"IGBZOHMCHDADGY-UHFFFAOYSA-N"	FALSE	TRUE	4290	3	5
"94-09-7"	"DTXSID8021804"	"Benzocaine"	"EPA_DSSTox"	"CCOC(=O)C1C=CC(N)=CC=1"	"?"	"InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3"	"BLFLLBZGZJTVJG-UHFFFAOYSA-N"	FALSE	TRUE	3042	3	5
"94-20-2"	"DTXSID9020322"	"Chlorpropamide"	"EPA_DSSTox"	"CCCNC(=O)NS(=O)(=O)C1=CC=C(Cl)C=C1"	"?"	"InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)"	"RKWGIWYCVPQPMF-UHFFFAOYSA-N"	FALSE	TRUE	2150	3	5
"94-28-0"	"DTXSID3026564"	"Triethylene glycol bis(2-ethylhexanoate)"	"EPA_DSSTox"	"CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CCCC)CC"	"?"	"InChI=1S/C22H42O6/c1-5-9-11-19(7-3)21(23)27-17-15-25-13-14-26-16-18-28-22(24)20(8-4)12-10-6-2/h19-20H,5-18H2,1-4H3"	"FRQDZJMEHSJOPU-UHFFFAOYSA-N"	FALSE	TRUE	31000	4	5
"94-30-4"	"DTXSID4059099"	"Benzoic acid, 4-methoxy-, ethyl ester"	"EPA_DSSTox"	"COC1=CC=C(C=C1)C(=O)OCC"	"?"	"InChI=1S/C10H12O3/c1-3-13-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3"	"FHUODBDRWMIBQP-UHFFFAOYSA-N"	FALSE	TRUE	2040	3	5
"94-36-0"	"DTXSID6024591"	"Benzoyl peroxide"	"EPA_DSSTox"	"O=C(OOC(=O)C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H"	"OMPJBNCRMGITSC-UHFFFAOYSA-N"	FALSE	TRUE	7710	4	5
"94-46-2"	"DTXSID8047185"	"Isopentyl benzoate"	"EPA_DSSTox"	"CC(C)CCOC(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C12H16O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3"	"MLLAPOCBLWUFAP-UHFFFAOYSA-N"	FALSE	TRUE	6330	4	5
"94-47-3"	"DTXSID9047590"	"2-Phenylethyl benzoate"	"EPA_DSSTox"	"O=C(OCCC1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C15H14O2/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2"	"OSORMYZMWHVFOZ-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"94-48-4"	"DTXSID4052637"	"(2E)-3,6-Dimethylhepta-2,5-dien-1-yl benzoate"	"EPA_DSSTox"	"CC(C)=CCC(C)=CCOC(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C16H20O2/c1-13(2)9-10-14(3)11-12-18-16(17)15-7-5-4-6-8-15/h4-9,11H,10,12H2,1-3H3"	"FZPCVOCXTXFFHI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"94-58-6"	"DTXSID7020475"	"Dihydrosafrole"	"EPA_DSSTox"	"CCCC1=CC2OCOC=2C=C1"	"?"	"InChI=1S/C10H12O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h4-6H,2-3,7H2,1H3"	"MYEIDJPOUKASEC-UHFFFAOYSA-N"	FALSE	TRUE	2260	3	5
"94-60-0"	"DTXSID3026566"	"Dimethyl hexahydroterephthalate"	"EPA_DSSTox"	"COC(=O)C1CCC(CC1)C(=O)OC"	"?"	"InChI=1S/C10H16O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h7-8H,3-6H2,1-2H3"	"LNGAGQAGYITKCW-UHFFFAOYSA-N"	FALSE	TRUE	2812	3	5
"94-62-2"	"DTXSID3021805"	"Piperine"	"EPA_DSSTox"	"O=C(C=CC=CC1=CC2OCOC=2C=C1)N1CCCCC1"	"?"	"InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2"	"MXXWOMGUGJBKIW-UHFFFAOYSA-N"	FALSE	FALSE	514	3	4
"94-74-6"	"DTXSID4024195"	"MCPA"	"EPA_DSSTox"	"CC1C=C(Cl)C=CC=1OCC(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"	FALSE	FALSE	700	3	4
"94-75-7"	"DTXSID0020442"	"2,4-Dichlorophenoxyacetic acid"	"EPA_DSSTox"	"OC(=O)COC1C=CC(Cl)=CC=1Cl"	"?"	"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"	FALSE	FALSE	370	2	4
"94-78-0"	"DTXSID1023445"	"Phenazopyridine"	"EPA_DSSTox"	"NC1N=C(N)C=CC=1N=NC1C=CC=CC=1"	"?"	"InChI=1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)"	"QPFYXYFORQJZEC-UHFFFAOYSA-N"	FALSE	FALSE	403	2	4
"94-80-4"	"DTXSID5020443"	"2,4-D 1-butyl ester"	"EPA_DSSTox"	"CCCCOC(=O)COC1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C12H14Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3"	"UQMRAFJOBWOFNS-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"94-81-5"	"DTXSID4024193"	"MCPB"	"EPA_DSSTox"	"CC1C=C(Cl)C=CC=1OCCCC(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"	FALSE	FALSE	680	3	4
"94-82-6"	"DTXSID7024035"	"2,4-DB"	"EPA_DSSTox"	"OC(=O)CCCOC1=CC=C(Cl)C=C1Cl"	"?"	"InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)"	"YIVXMZJTEQBPQO-UHFFFAOYSA-N"	FALSE	FALSE	700	3	4
"94-86-0"	"DTXSID2047727"	"2-Ethoxy-5-(1-propenyl)phenol"	"EPA_DSSTox"	"CC=CC1C=CC(OCC)=C(O)C=1"	"?"	"InChI=1S/C11H14O2/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h3,5-8,12H,4H2,1-2H3"	"RADIRXJQODWKGQ-UHFFFAOYSA-N"	FALSE	TRUE	2400	3	5
"94-91-7"	"DTXSID2041200"	"N,N'-Disalicylidene-1,2-diaminopropane"	"EPA_DSSTox"	"CC(CN=CC1C=CC=CC=1O)N=CC1C=CC=CC=1O"	"?"	"InChI=1S/C17H18N2O2/c1-13(19-12-15-7-3-5-9-17(15)21)10-18-11-14-6-2-4-8-16(14)20/h2-9,11-13,20-21H,10H2,1H3"	"RURPJGZXBHYNEM-UHFFFAOYSA-N"	FALSE	TRUE	4560	3	5
"94-96-2"	"DTXSID4025292"	"2-Ethyl-1,3-hexanediol"	"EPA_DSSTox"	"CCC(CO)C(O)CCC"	"?"	"InChI=1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3"	"RWLALWYNXFYRGW-UHFFFAOYSA-N"	FALSE	FALSE	1400	3	4
"940-41-0"	"DTXSID9052632"	"Trichloro(2-phenylethyl)silane"	"EPA_DSSTox"	"Cl[Si](Cl)(Cl)CCC1C=CC=CC=1"	"?"	"InChI=1S/C8H9Cl3Si/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2"	"FMYXZXAKZWIOHO-UHFFFAOYSA-N"	FALSE	TRUE	2830	3	5
"940-69-2"	"DTXSID2046541"	"alpha-Lipoic acid amide"	"EPA_DSSTox"	"NC(=O)CCCCC1CCSS1"	"?"	"InChI=1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10)"	"FCCDDURTIIUXBY-UHFFFAOYSA-N"	FALSE	FALSE	1980	3	4
"94011-82-2"	"DTXSID70240219"	"Bazinaprine"	"EPA_DSSTox"	"N#CC1C=C(N=NC=1NCCN1CCOCC1)C1C=CC=CC=1"	"?"	"InChI=1S/C17H19N5O/c18-13-15-12-16(14-4-2-1-3-5-14)20-21-17(15)19-6-7-22-8-10-23-11-9-22/h1-5,12H,6-11H2,(H,19,21)"	"KRNDIPHOJLIHRI-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"94015-46-0"	NA	NA	"Public_CrossChecked"	"CC(C)(C)C1CCC(CC1)C1C(=O)C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C20H24O3/c1-20(2,3)13-10-8-12(9-11-13)16-17(21)14-6-4-5-7-15(14)18(22)19(16)23/h4-7,12-13,16H,8-11H2,1-3H3"	"KNSZLVYFDRXIPI-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"941-69-5"	"DTXSID0041274"	"1-Phenyl-1H-pyrrole-2,5-dione"	"EPA_DSSTox"	"O=C1C=CC(=O)N1C1C=CC=CC=1"	"?"	"InChI=1S/C10H7NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-7H"	"HIDBROSJWZYGSZ-UHFFFAOYSA-N"	FALSE	FALSE	128	2	3
"94108-97-1"	"DTXSID7072969"	"Ditrimethylolpropane tetraacrylate"	"EPA_DSSTox"	"CCC(COCC(COC(=O)C=C)(COC(=O)C=C)CC)(COC(=O)C=C)COC(=O)C=C"	"?"	"InChI=1S/C24H34O9/c1-7-19(25)30-15-23(11-5,16-31-20(26)8-2)13-29-14-24(12-6,17-32-21(27)9-3)18-33-22(28)10-4/h7-10H,1-4,11-18H2,5-6H3"	"XRMBQHTWUBGQDN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"94125-34-5"	"DTXSID9034868"	"Prosulfuron"	"EPA_DSSTox"	"CC1N=C(NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F)N=C(N=1)OC"	"?"	"InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)"	"LTUNNEGNEKBSEH-UHFFFAOYSA-N"	FALSE	FALSE	986	3	4
"94133-79-6"	"DTXSID60240682"	"1,2-Bis(isopropyl)naphthalene"	"EPA_DSSTox"	"CC(C)C1=CC=C2C=CC=CC2=C1C(C)C"	"?"	"InChI=1S/C16H20/c1-11(2)14-10-9-13-7-5-6-8-15(13)16(14)12(3)4/h5-12H,1-4H3"	"IAUKWGFWINVWKS-UHFFFAOYSA-N"	FALSE	TRUE	15180	4	5
"94149-41-4"	NA	NA	"Public_CrossChecked"	"CC(SC(=O)C1=CC=CS1)C(=O)NC1CCSC1=O"	"?"	"InChI=1S/C12H13NO3S3/c1-7(19-12(16)9-3-2-5-17-9)10(14)13-8-4-6-18-11(8)15/h2-3,5,7-8H,4,6H2,1H3,(H,13,14)"	"MKTVMEMIKNBVHI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"942-01-8"	"DTXSID00240969"	"1,2,3,4-Tetrahydrocarbazole"	"EPA_DSSTox"	"C1CCCC2NC3=CC=CC=C3C=21"	"?"	"InChI=1S/C12H13N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,5,7,13H,2,4,6,8H2"	"XKLNOVWDVMWTOB-UHFFFAOYSA-N"	FALSE	TRUE	2650	3	5
"94238-00-3"	NA	NA	"Public_CrossChecked"	"CC(C=CC=C(C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)=CC=CC=C(C)C=CC=C(C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O"	"?"	"InChI=1S/C44H64O24/c1-19(11-7-13-21(3)39(59)67-43-37(57)33(53)29(49)25(65-43)17-61-41-35(55)31(51)27(47)23(15-45)63-41)9-5-6-10-20(2)12-8-14-22(4)40(60)68-44-38(58)34(54)30(50)26(66-44)18-62-42-36(56)32(52)28(48)24(16-46)64-42/h5-14,23-38,41-58H,15-18H2,1-4H3"	"SEBIKDIMAPSUBY-UHFFFAOYSA-N"	FALSE	TRUE	3160	3	5
"94239-04-0"	"DTXSID60371405"	"2-Fluoro-6-(trifluoromethyl)pyridine"	"EPA_DSSTox"	"FC1C=CC=C(N=1)C(F)(F)F"	"?"	"InChI=1S/C6H3F4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H"	"IZOIOCQPMHHDHN-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"943-88-4"	"DTXSID9061338"	"3-Buten-2-one, 4-(4-methoxyphenyl)-"	"EPA_DSSTox"	"CC(=O)C=CC1=CC=C(C=C1)OC"	"?"	"InChI=1S/C11H12O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h3-8H,1-2H3"	"WRRZKDVBPZBNJN-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"944-21-8"	"DTXSID0041989"	"Fonofos oxygen analog"	"EPA_DSSTox"	"CCP(=O)(OCC)SC1C=CC=CC=1"	"?"	"InChI=1S/C10H15O2PS/c1-3-12-13(11,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3"	"KKVDUJRKQVHKBU-UHFFFAOYSA-N"	TRUE	FALSE	2.75	1	1
"944129-07-1"	"DTXSID20657510"	"(4-Chloro-2-fluoro-3-methoxyphenyl)boronic acid"	"EPA_DSSTox"	"COC1=C(F)C(=CC=C1Cl)B(O)O"	"?"	"InChI=1S/C7H7BClFO3/c1-13-7-5(9)3-2-4(6(7)10)8(11)12/h2-3,11-12H,1H3"	"GDJCQSNQOHRAGY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"945553-94-6"	NA	NA	"Public_CrossChecked"	"[O-][N+](=O)C1C=C2C(NC3=CC(Cl)=C(F)C=C3)=NC=NC2=CC=1S(=O)(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C20H12ClFN4O4S/c21-15-8-12(6-7-16(15)22)25-20-14-9-18(26(27)28)19(10-17(14)23-11-24-20)31(29,30)13-4-2-1-3-5-13/h1-11H,(H,23,24,25)"	"IBXBOQKFZSMVOL-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"947-04-6"	"DTXSID1027344"	"Azacyclotridecan-2-one"	"EPA_DSSTox"	"O=C1CCCCCCCCCCCN1"	"?"	"InChI=1S/C12H23NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12/h1-11H2,(H,13,14)"	"JHWNWJKBPDFINM-UHFFFAOYSA-N"	FALSE	TRUE	2330	3	5
"94720-90-8"	"DTXSID40535326"	"1,1,2-Trichloro-1-fluoro-2-(trifluoromethoxy)ethane"	"EPA_DSSTox"	"FC(F)(F)OC(Cl)C(F)(Cl)Cl"	"?"	"InChI=1S/C3HCl3F4O/c4-1(2(5,6)7)11-3(8,9)10/h1H"	"TYAWQASXBDYRLQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"94739-29-4"	"DTXSID8048812"	"Lemildipine"	"EPA_DSSTox"	"CC1NC(COC(N)=O)=C(C(C=1C(=O)OC)C1=CC=CC(Cl)=C1Cl)C(=O)OC(C)C"	"?"	"InChI=1S/C20H22Cl2N2O6/c1-9(2)30-19(26)16-13(8-29-20(23)27)24-10(3)14(18(25)28-4)15(16)11-6-5-7-12(21)17(11)22/h5-7,9,15,24H,8H2,1-4H3,(H2,23,27)"	"WTOVRSWDBLIFHU-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"94776-91-7"	NA	NA	"Public_CrossChecked"	"[O-][N+](=O)C=C1SCCN1CC1C=CC=CC=1"	"?"	"InChI=1S/C11H12N2O2S/c14-13(15)9-11-12(6-7-16-11)8-10-4-2-1-3-5-10/h1-5,9H,6-8H2"	"TULKOBWQIRTXSH-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"948-65-2"	"DTXSID8061343"	"1H-Indole, 2-phenyl-"	"EPA_DSSTox"	"C1=C(NC2=CC=CC=C21)C1C=CC=CC=1"	"?"	"InChI=1S/C14H11N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-10,15H"	"KLLLJCACIRKBDT-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"94847-66-2"	"DTXSID10241644"	"2,4,5-Tribromoimidazole-1-dimethylcarbamic acid"	"EPA_DSSTox"	"CN(C)C(=O)N1C(Br)=NC(Br)=C1Br"	"?"	"InChI=1S/C6H6Br3N3O/c1-11(2)6(13)12-4(8)3(7)10-5(12)9/h1-2H3"	"MQECOKJOKJUMII-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"94876-55-8"	NA	NA	"Public_CrossChecked"	"CCOC1(CCN(CC1C)CCC1C=CC=CC=1)C1=CC=CO1"	"?"	"InChI=1S/C20H27NO2/c1-3-23-20(19-10-7-15-22-19)12-14-21(16-17(20)2)13-11-18-8-5-4-6-9-18/h4-10,15,17H,3,11-14,16H2,1-2H3"	"INLMDDDTZIKNNI-UHFFFAOYSA-N"	TRUE	FALSE	NA	1	2
"949-13-3"	"DTXSID3061344"	"Phenol, 2-octyl-"	"EPA_DSSTox"	"CCCCCCCCC1C=CC=CC=1O"	"?"	"InChI=1S/C14H22O/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15/h8-9,11-12,15H,2-7,10H2,1H3"	"DUIOKRXOKLLURE-UHFFFAOYSA-N"	FALSE	TRUE	2800	3	5
"95-01-2"	"DTXSID8021806"	"2,4-Dihydroxybenzaldehyde"	"EPA_DSSTox"	"OC1=CC(O)=C(C=O)C=C1"	"?"	"InChI=1S/C7H6O3/c8-4-5-1-2-6(9)3-7(5)10/h1-4,9-10H"	"IUNJCFABHJZSKB-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"95-06-7"	"DTXSID7021289"	"Sulfallate"	"EPA_DSSTox"	"CCN(CC)C(=S)SCC(=C)Cl"	"?"	"InChI=1S/C8H14ClNS2/c1-4-10(5-2)8(11)12-6-7(3)9/h3-6H2,1-2H3"	"XJCLWVXTCRQIDI-UHFFFAOYSA-N"	FALSE	FALSE	850	3	4
"95-14-7"	"DTXSID6020147"	"1,2,3-Benzotriazole"	"EPA_DSSTox"	"C1=CC=CC2NN=NC=21"	"?"	"InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)"	"QRUDEWIWKLJBPS-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"95-16-9"	"DTXSID7024586"	"Benzothiazole"	"EPA_DSSTox"	"C1=NC2=CC=CC=C2S1"	"?"	"InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H"	"IOJUPLGTWVMSFF-UHFFFAOYSA-N"	FALSE	FALSE	178	2	3
"95-19-2"	"DTXSID9025378"	"2-Heptadecyl-3-hydroxyethylimidazoline"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCC1=NCCN1CCO"	"?"	"InChI=1S/C22H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h25H,2-21H2,1H3"	"QJEBJKXTNSYBGE-UHFFFAOYSA-N"	FALSE	TRUE	3800	3	5
"95-26-1"	"DTXSID9059121"	"Benzothiazole, 2,5-dimethyl-"	"EPA_DSSTox"	"CC1=CC2N=C(C)SC=2C=C1"	"?"	"InChI=1S/C9H9NS/c1-6-3-4-9-8(5-6)10-7(2)11-9/h3-5H,1-2H3"	"XHANCLXYCNTZMM-UHFFFAOYSA-N"	FALSE	FALSE	957	3	4
"95-30-7"	"DTXSID4059122"	"Carbamodithioic acid, diethyl-, 2-benzothiazolyl ester"	"EPA_DSSTox"	"CCN(CC)C(=S)SC1=NC2C=CC=CC=2S1"	"?"	"InChI=1S/C12H14N2S3/c1-3-14(4-2)12(15)17-11-13-9-7-5-6-8-10(9)16-11/h5-8H,3-4H2,1-2H3"	"LFMQNMXVVXHZCC-UHFFFAOYSA-N"	FALSE	TRUE	6000	4	5
"95-33-0"	"DTXSID5020360"	"N-Cyclohexyl-2-benzothiazolesulfenamide"	"EPA_DSSTox"	"C1CCCCC1NSC1=NC2C=CC=CC=2S1"	"?"	"InChI=1S/C13H16N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/h4-5,8-10,15H,1-3,6-7H2"	"DEQZTKGFXNUBJL-UHFFFAOYSA-N"	FALSE	TRUE	5300	4	5
"95-38-5"	"DTXSID2036112"	"2-(8-Heptadecenyl)-2-imidazoline-1-ethanol"	"EPA_DSSTox"	"CCCCCCCCC=CCCCCCCCC1=NCCN1CCO"	"?"	"InChI=1S/C22H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h9-10,25H,2-8,11-21H2,1H3"	"WGTDLPBPQKAPMN-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"95-47-6"	"DTXSID3021807"	"o-Xylene"	"EPA_DSSTox"	"CC1=CC=CC=C1C"	"?"	"InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3"	"CTQNGGLPUBDAKN-UHFFFAOYSA-N"	FALSE	TRUE	3523	3	5
"95-48-7"	"DTXSID8021808"	"o-Cresol"	"EPA_DSSTox"	"CC1C=CC=CC=1O"	"?"	"InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3"	"QWVGKYWNOKOFNN-UHFFFAOYSA-N"	FALSE	FALSE	121	2	3
"95-49-8"	"DTXSID8023977"	"2-Chlorotoluene"	"EPA_DSSTox"	"CC1=CC=CC=C1Cl"	"?"	"InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3"	"IBSQPLPBRSHTTG-UHFFFAOYSA-N"	FALSE	TRUE	3900	3	5
"95-50-1"	"DTXSID6020430"	"1,2-Dichlorobenzene"	"EPA_DSSTox"	"ClC1C=CC=CC=1Cl"	"?"	"InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H"	"RFFLAFLAYFXFSW-UHFFFAOYSA-N"	FALSE	FALSE	500	2	4
"95-51-2"	"DTXSID2021810"	"2-Chloroaniline"	"EPA_DSSTox"	"NC1C=CC=CC=1Cl"	"?"	"InChI=1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2"	"AKCRQHGQIJBRMN-UHFFFAOYSA-N"	FALSE	FALSE	1016	3	4
"95-54-5"	"DTXSID3025881"	"1,2-Phenylenediamine"	"EPA_DSSTox"	"NC1C=CC=CC=1N"	"?"	"InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2"	"GEYOCULIXLDCMW-UHFFFAOYSA-N"	FALSE	FALSE	510	3	4
"95-55-6"	"DTXSID8024498"	"2-Aminophenol"	"EPA_DSSTox"	"NC1C=CC=CC=1O"	"?"	"InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2"	"CDAWCLOXVUBKRW-UHFFFAOYSA-N"	FALSE	FALSE	951	3	4
"95-63-6"	"DTXSID6021402"	"1,2,4-Trimethylbenzene"	"EPA_DSSTox"	"CC1=CC(C)=C(C)C=C1"	"?"	"InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3"	"GWHJZXXIDMPWGX-UHFFFAOYSA-N"	FALSE	TRUE	3280	3	5
"95-64-7"	"DTXSID3026308"	"3,4-Dimethylaniline"	"EPA_DSSTox"	"CC1=CC(N)=CC=C1C"	"?"	"InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3"	"DOLQYFPDPKPQSS-UHFFFAOYSA-N"	FALSE	FALSE	810	3	4
"95-65-8"	"DTXSID4024062"	"3,4-Dimethylphenol"	"EPA_DSSTox"	"CC1=CC(O)=CC=C1C"	"?"	"InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3"	"YCOXTKKNXUZSKD-UHFFFAOYSA-N"	FALSE	FALSE	727	3	4
"95-69-2"	"DTXSID1041508"	"4-Chloro-2-methylaniline"	"EPA_DSSTox"	"CC1C=C(Cl)C=CC=1N"	"?"	"InChI=1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3"	"CXNVOWPRHWWCQR-UHFFFAOYSA-N"	FALSE	FALSE	1058	3	4
"95-70-5"	"DTXSID6029123"	"2-Methyl-1,4-benzenediamine"	"EPA_DSSTox"	"CC1=CC(N)=CC=C1N"	"?"	"InChI=1S/C7H10N2/c1-5-4-6(8)2-3-7(5)9/h2-4H,8-9H2,1H3"	"OBCSAIDCZQSFQH-UHFFFAOYSA-N"	FALSE	FALSE	102	2	3
"95-73-8"	"DTXSID5040702"	"2,4-Dichlorotoluene"	"EPA_DSSTox"	"CC1=CC=C(Cl)C=C1Cl"	"?"	"InChI=1S/C7H6Cl2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3"	"FUNUTBJJKQIVSY-UHFFFAOYSA-N"	FALSE	TRUE	2400	3	5
"95-74-9"	"DTXSID0020286"	"3-Chloro-4-methylaniline"	"EPA_DSSTox"	"CC1C=CC(N)=CC=1Cl"	"?"	"InChI=1S/C7H8ClN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3"	"RQKFYFNZSHWXAW-UHFFFAOYSA-N"	FALSE	FALSE	302	2	4
"95-76-1"	"DTXSID7021815"	"3,4-Dichloroaniline"	"EPA_DSSTox"	"NC1=CC(Cl)=C(Cl)C=C1"	"?"	"InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2"	"SDYWXFYBZPNOFX-UHFFFAOYSA-N"	FALSE	FALSE	530	3	4
"95-78-3"	"DTXSID3026306"	"2,5-Dimethylaniline"	"EPA_DSSTox"	"CC1=CC(N)=C(C)C=C1"	"?"	"InChI=1S/C8H11N/c1-6-3-4-7(2)8(9)5-6/h3-5H,9H2,1-2H3"	"VOWZNBNDMFLQGM-UHFFFAOYSA-N"	FALSE	FALSE	1297	3	4
"95-79-4"	"DTXSID5020287"	"5-Chloro-2-methylaniline"	"EPA_DSSTox"	"CC1=CC=C(Cl)C=C1N"	"?"	"InChI=1S/C7H8ClN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3"	"WRZOMWDJOLIVQP-UHFFFAOYSA-N"	FALSE	FALSE	464	2	4
"95-80-7"	"DTXSID4020402"	"2,4-Diaminotoluene"	"EPA_DSSTox"	"CC1C=CC(N)=CC=1N"	"?"	"InChI=1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3"	"VOZKAJLKRJDJLL-UHFFFAOYSA-N"	FALSE	FALSE	73	2	3
"95-82-9"	"DTXSID6024967"	"2,5-Dichloroaniline"	"EPA_DSSTox"	"NC1C=C(Cl)C=CC=1Cl"	"?"	"InChI=1S/C6H5Cl2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2"	"AVYGCQXNNJPXSS-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"95-85-2"	"DTXSID5024473"	"2-Amino-4-chlorophenol"	"EPA_DSSTox"	"NC1=CC(Cl)=CC=C1O"	"?"	"InChI=1S/C6H6ClNO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2"	"SWFNPENEBHAHEB-UHFFFAOYSA-N"	FALSE	FALSE	690	3	4
"95-88-5"	"DTXSID8052643"	"4-Chlororesorcinol"	"EPA_DSSTox"	"OC1=CC(O)=C(Cl)C=C1"	"?"	"InChI=1S/C6H5ClO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H"	"JQVAPEJNIZULEK-UHFFFAOYSA-N"	FALSE	FALSE	369	2	4
"95-93-2"	"DTXSID1029124"	"1,2,4,5-Tetramethylbenzene"	"EPA_DSSTox"	"CC1C=C(C)C(C)=CC=1C"	"?"	"InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3"	"SQNZJJAZBFDUTD-UHFFFAOYSA-N"	FALSE	TRUE	6989	4	5
"95-94-3"	"DTXSID7024320"	"1,2,4,5-Tetrachlorobenzene"	"EPA_DSSTox"	"ClC1C=C(Cl)C(Cl)=CC=1Cl"	"?"	"InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H"	"JHBKHLUZVFWLAG-UHFFFAOYSA-N"	FALSE	FALSE	1500	3	4
"95-95-4"	"DTXSID4024359"	"2,4,5-Trichlorophenol"	"EPA_DSSTox"	"OC1C=C(Cl)C(Cl)=CC=1Cl"	"?"	"InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H"	"LHJGJYXLEPZJPM-UHFFFAOYSA-N"	FALSE	FALSE	820	3	4
"95-96-5"	"DTXSID7041253"	"3,6-Dimethyl-2,5-dioxo-1,4-dioxane"	"EPA_DSSTox"	"CC1OC(=O)C(C)OC1=O"	"?"	"InChI=1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3"	"JJTUDXZGHPGLLC-UHFFFAOYSA-N"	FALSE	TRUE	3543	3	5
"950-35-6"	"DTXSID5037571"	"Methylparaoxon"	"EPA_DSSTox"	"COP(=O)(OC1C=CC(=CC=1)[N+]([O-])=O)OC"	"?"	"InChI=1S/C8H10NO6P/c1-13-16(12,14-2)15-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3"	"BAFQDKPJKOLXFZ-UHFFFAOYSA-N"	TRUE	FALSE	3.27	1	1
"950-37-8"	"DTXSID5020819"	"Methidathion"	"EPA_DSSTox"	"COC1=NN(CSP(=S)(OC)OC)C(=O)S1"	"?"	"InChI=1S/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3"	"MEBQXILRKZHVCX-UHFFFAOYSA-N"	TRUE	FALSE	20	1	2
"951-42-8"	"DTXSID5074979"	"Bicyclo[2.2.1]heptane-2-carbonitrile, 5-chloro-6-[[[(methylamino)carbonyl]oxy]imino]-, (1R,2S,4S,5S)-rel-"	"EPA_DSSTox"	"CNC(=O)ON=C1C(Cl)C2CC1C(C2)C#N"	"?"	"InChI=1S/C10H12ClN3O2/c1-13-10(15)16-14-9-7-3-5(8(9)11)2-6(7)4-12/h5-8H,2-3H2,1H3,(H,13,15)"	"QCQPGRMMDFIQMB-UHFFFAOYSA-N"	TRUE	FALSE	25	1	2
"95266-40-3"	"DTXSID9032535"	"Trinexapac-ethyl"	"EPA_DSSTox"	"CCOC(=O)C1CC(=O)C(=C(O)C2CC2)C(=O)C1"	"?"	"InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3"	"RVKCCVTVZORVGD-UHFFFAOYSA-N"	FALSE	TRUE	4460	3	5
"953-32-2"	"DTXSID90241804"	"Phosphorodithioic acid, O,O-diethyl S-(p-tolyl) ester"	"EPA_DSSTox"	"CC1C=CC(=CC=1)SP(=S)(OCC)OCC"	"?"	"InChI=1S/C11H17O2PS2/c1-4-12-14(15,13-5-2)16-11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3"	"QLCGYBKCWYULKB-UHFFFAOYSA-N"	FALSE	FALSE	316	2	4
"955-48-6"	NA	NA	"Public_CrossChecked"	"CC(NC)C(O)C1C=CC(=CC=1)NS(C)(=O)=O"	"Cl"	"InChI=1S/C11H18N2O3S/c1-8(12-2)11(14)9-4-6-10(7-5-9)13-17(3,15)16/h4-8,11-14H,1-3H3"	"YTDJNWMSAAWJDD-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"956-90-1"	NA	NA	"Public_CrossChecked"	"C1CCCCN1C1(CCCCC1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2"	"JTJMJGYZQZDUJJ-UHFFFAOYSA-N"	FALSE	FALSE	135	2	3
"95617-09-7"	"DTXSID5058224"	"Fenoxaprop"	"EPA_DSSTox"	"CC(OC1C=CC(=CC=1)OC1=NC2=CC=C(Cl)C=C2O1)C(O)=O"	"?"	"InChI=1S/C16H12ClNO5/c1-9(15(19)20)21-11-3-5-12(6-4-11)22-16-18-13-7-2-10(17)8-14(13)23-16/h2-9H,1H3,(H,19,20)"	"MPPOHAUSNPTFAJ-UHFFFAOYSA-N"	FALSE	TRUE	2357	3	5
"956317-36-5"	"DTXSID20693236"	"5-Methyl-2-(2H-1,2,3-triazol-2-yl)benzoic acid"	"EPA_DSSTox"	"CC1C=C(C(O)=O)C(=CC=1)N1N=CC=N1"	"?"	"InChI=1S/C10H9N3O2/c1-7-2-3-9(8(6-7)10(14)15)13-11-4-5-12-13/h2-6H,1H3,(H,14,15)"	"SRBAGFIYKNQXDV-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"957-51-7"	"DTXSID8024072"	"Diphenamid"	"EPA_DSSTox"	"CN(C)C(=O)C(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C16H17NO/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3"	"QAHFOPIILNICLA-UHFFFAOYSA-N"	FALSE	FALSE	685	3	4
"957-68-6"	"DTXSID9045342"	"7-Aminocephalosporanic acid"	"EPA_DSSTox"	"CC(=O)OCC1CSC2C(N)C(=O)N2C=1C(O)=O"	"?"	"InChI=1S/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)"	"HSHGZXNAXBPPDL-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"95719-24-7"	NA	NA	"Public_CrossChecked"	"CC(C1C=CC(Cl)=C(C)C=1C)C1C=CC=CC=1"	"?"	"InChI=1S/C16H17Cl/c1-11-12(2)16(17)10-9-15(11)13(3)14-7-5-4-6-8-14/h4-10,13H,1-3H3"	"JVZOSCNIJORZIZ-UHFFFAOYSA-N"	FALSE	TRUE	2129	3	5
"95719-25-8"	NA	NA	"Public_CrossChecked"	"CC(C1C=CC=CC=1CCl)C1C=CC=CC=1"	"?"	"InChI=1S/C15H15Cl/c1-12(13-7-3-2-4-8-13)15-10-6-5-9-14(15)11-16/h2-10,12H,11H2,1H3"	"PIMAHAFHAWIYFM-UHFFFAOYSA-N"	FALSE	TRUE	4700	3	5
"95737-68-1"	"DTXSID1032640"	"Pyriproxyfen"	"EPA_DSSTox"	"CC(COC1C=CC(=CC=1)OC1C=CC=CC=1)OC1=CC=CC=N1"	"?"	"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"	FALSE	TRUE	NA	4	5
"958-93-0"	"DTXSID4026131"	"Thenyldiamine hydrochloride"	"EPA_DSSTox"	"CN(C)CCN(CC1=CSC=C1)C1=CC=CC=N1"	"Cl"	"InChI=1S/C14H19N3S/c1-16(2)8-9-17(11-13-6-10-18-12-13)14-5-3-4-7-15-14/h3-7,10,12H,8-9,11H2,1-2H3"	"RCGYDFVCAAKKNG-UHFFFAOYSA-N"	FALSE	FALSE	525	3	4
"95882-64-7"	"DTXSID2073720"	"N'-(3-tert-Butyl-5-isothiazolyl)-N-methoxy-N-methylurea"	"EPA_DSSTox"	"CN(OC)C(=O)NC1=CC(=NS1)C(C)(C)C"	"?"	"InChI=1S/C10H17N3O2S/c1-10(2,3)7-6-8(16-12-7)11-9(14)13(4)15-5/h6H,1-5H3,(H,11,14)"	"PNGMJJUDEOUWQT-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"95884-49-4"	"DTXSID40242003"	"Piperazine, 1-(6-chloro-2-pyridinyl)-, monohydrochloride"	"EPA_DSSTox"	"ClC1=CC=CC(=N1)N1CCNCC1"	"Cl"	"InChI=1S/C9H12ClN3/c10-8-2-1-3-9(12-8)13-6-4-11-5-7-13/h1-3,11H,4-7H2"	"KQFRTJUIRPBBAB-UHFFFAOYSA-N"	FALSE	FALSE	174	2	3
"959-14-8"	"DTXSID5023403"	"Oxolamine"	"EPA_DSSTox"	"CCN(CCC1=NC(=NO1)C1C=CC=CC=1)CC"	"?"	"InChI=1S/C14H19N3O/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3"	"IDCHQQSVJAAUQQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"959-24-0"	"DTXSID8021278"	"Sotalol hydrochloride"	"EPA_DSSTox"	"CC(C)NCC(O)C1C=CC(=CC=1)NS(C)(=O)=O"	"Cl"	"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"	FALSE	TRUE	3450	3	5
"959-98-8"	"DTXSID9037539"	"Endosulfan I"	"EPA_DSSTox"	"O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl"	"?"	"InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2"	"RDYMFSUJUZBWLH-UHFFFAOYSA-N"	FALSE	FALSE	76	2	3
"96-05-9"	"DTXSID2021816"	"Allyl methacrylate"	"EPA_DSSTox"	"CC(=C)C(=O)OCC=C"	"?"	"InChI=1S/C7H10O2/c1-4-5-9-7(8)6(2)3/h4H,1-2,5H2,3H3"	"FBCQUCJYYPMKRO-UHFFFAOYSA-N"	FALSE	FALSE	70	2	3
"96-09-3"	"DTXSID2021286"	"Styrene oxide"	"EPA_DSSTox"	"C1OC1C1C=CC=CC=1"	"?"	"InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2"	"AWMVMTVKBNGEAK-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"96-12-8"	"DTXSID3020413"	"1,2-Dibromo-3-chloropropane"	"EPA_DSSTox"	"ClCC(Br)CBr"	"?"	"InChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2"	"WBEJYOJJBDISQU-UHFFFAOYSA-N"	FALSE	FALSE	170	2	3
"96-13-9"	"DTXSID7021817"	"2,3-Dibromopropanol"	"EPA_DSSTox"	"OCC(Br)CBr"	"?"	"InChI=1S/C3H6Br2O/c4-1-3(5)2-6/h3,6H,1-2H2"	"QWVCIORZLNBIIC-UHFFFAOYSA-N"	FALSE	FALSE	681	3	4
"96-17-3"	"DTXSID2021818"	"2-Methylbutanal"	"EPA_DSSTox"	"CCC(C)C=O"	"?"	"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3"	"BYGQBDHUGHBGMD-UHFFFAOYSA-N"	FALSE	TRUE	6400	4	5
"96-18-4"	"DTXSID9021390"	"1,2,3-Trichloropropane"	"EPA_DSSTox"	"ClC(CCl)CCl"	"?"	"InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2"	"CFXQEHVMCRXUSD-UHFFFAOYSA-N"	FALSE	FALSE	136	2	3
"96-19-5"	"DTXSID3047766"	"1,2,3-Trichloropropene"	"EPA_DSSTox"	"ClCC(Cl)=CCl"	"?"	"InChI=1S/C3H3Cl3/c4-1-3(6)2-5/h1H,2H2"	"HIILBTHBHCLUER-UHFFFAOYSA-N"	FALSE	FALSE	616	3	4
"96-20-8"	"DTXSID60859935"	"1-Butanol, 2-amino-"	"EPA_DSSTox"	"CCC(N)CO"	"?"	"InChI=1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3"	"JCBPETKZIGVZRE-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"96-22-0"	"DTXSID6021820"	"3-Pentanone"	"EPA_DSSTox"	"CCC(=O)CC"	"?"	"InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3"	"FDPIMTJIUBPUKL-UHFFFAOYSA-N"	FALSE	TRUE	2140	3	5
"96-23-1"	"DTXSID6025010"	"1,3-Dichloro-2-propanol"	"EPA_DSSTox"	"OC(CCl)CCl"	"?"	"InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2"	"DEWLEGDTCGBNGU-UHFFFAOYSA-N"	FALSE	FALSE	110	2	3
"96-24-2"	"DTXSID4020664"	"3-Chloro-1,2-propanediol"	"EPA_DSSTox"	"OCC(O)CCl"	"?"	"InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2"	"SSZWWUDQMAHNAQ-UHFFFAOYSA-N"	TRUE	FALSE	26	1	2
"96-26-4"	"DTXSID0025072"	"Dihydroxyacetone"	"EPA_DSSTox"	"CC(O)C(O)=O"	"?"	"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)"	"JVTAAEKCZFNVCJ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"96-29-7"	"DTXSID1021821"	"2-Butanone oxime"	"EPA_DSSTox"	"CCC(C)N=O"	"?"	"InChI=1S/C4H9NO/c1-3-4(2)5-6/h4H,3H2,1-2H3"	"GRFXXWWBAWFSRF-UHFFFAOYSA-N"	FALSE	FALSE	930	3	4
"96-32-2"	"DTXSID7052737"	"Methyl bromoacetate"	"EPA_DSSTox"	"COC(=O)CBr"	"?"	"InChI=1S/C3H5BrO2/c1-6-3(5)2-4/h2H2,1H3"	"YDCHPLOFQATIDS-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"96-33-3"	"DTXSID0024183"	"Methyl acrylate"	"EPA_DSSTox"	"COC(=O)C=C"	"?"	"InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3"	"BAPJBEWLBFYGME-UHFFFAOYSA-N"	FALSE	FALSE	277	2	3
"96-45-7"	"DTXSID5020601"	"Ethylene thiourea"	"EPA_DSSTox"	"S=C1NCCN1"	"?"	"InChI=1S/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)"	"PDQAZBWRQCGBEV-UHFFFAOYSA-N"	FALSE	FALSE	545	3	4
"96-47-9"	"DTXSID9030258"	"2-Methyltetrahydrofuran"	"EPA_DSSTox"	"CC1CCCO1"	"?"	"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3"	"JWUJQDFVADABEY-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	4
"96-49-1"	"DTXSID2026600"	"1,3-Dioxolan-2-one"	"EPA_DSSTox"	"O=C1OCCO1"	"?"	"InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2"	"KMTRUDSVKNLOMY-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"96-50-4"	"DTXSID5024508"	"2-Aminothiazole"	"EPA_DSSTox"	"NC1=NC=CS1"	"?"	"InChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)"	"RAIPHJJURHTUIC-UHFFFAOYSA-N"	FALSE	FALSE	480	2	4
"96-53-7"	"DTXSID3059133"	"2-Thiazolidinethione"	"EPA_DSSTox"	"S=C1NCCS1"	"?"	"InChI=1S/C3H5NS2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)"	"WGJCBBASTRWVJL-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"96-66-2"	"DTXSID8059136"	"4,4'-Thiobis[2-tert-butyl-6-methylphenol]"	"EPA_DSSTox"	"CC(C)(C)C1C=C(C=C(C)C=1O)SC1C=C(C)C(O)=C(C=1)C(C)(C)C"	"?"	"InChI=1S/C22H30O2S/c1-13-9-15(11-17(19(13)23)21(3,4)5)25-16-10-14(2)20(24)18(12-16)22(6,7)8/h9-12,23-24H,1-8H3"	"YFHKLSPMRRWLKI-UHFFFAOYSA-N"	FALSE	TRUE	6340	4	5
"96-69-5"	"DTXSID4021341"	"4,4'-Thiobis(6-tert-butyl-m-cresol)"	"EPA_DSSTox"	"CC1C=C(O)C(=CC=1SC1=CC(=C(O)C=C1C)C(C)(C)C)C(C)(C)C"	"?"	"InChI=1S/C22H30O2S/c1-13-9-17(23)15(21(3,4)5)11-19(13)25-20-12-16(22(6,7)8)18(24)10-14(20)2/h9-12,23-24H,1-8H3"	"HXIQYSLFEXIOAV-UHFFFAOYSA-N"	FALSE	TRUE	2345	3	5
"96-80-0"	"DTXSID6021822"	"2-(Diisopropylamino)ethanol"	"EPA_DSSTox"	"CC(C)N(CCO)C(C)C"	"?"	"InChI=1S/C8H19NO/c1-7(2)9(5-6-10)8(3)4/h7-8,10H,5-6H2,1-4H3"	"ZYWUVGFIXPNBDL-UHFFFAOYSA-N"	FALSE	FALSE	860	3	4
"96-83-3"	"DTXSID6023159"	"Iopanoic acid"	"EPA_DSSTox"	"CCC(CC1=C(I)C=C(I)C(N)=C1I)C(O)=O"	"?"	"InChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)"	"OIRFJRBSRORBCM-UHFFFAOYSA-N"	FALSE	FALSE	1540	3	4
"96-84-4"	"DTXSID1046265"	"Iophenoxic acid"	"EPA_DSSTox"	"CCC(CC1C(I)=CC(I)=C(O)C=1I)C(O)=O"	"?"	"InChI=1S/C11H11I3O3/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5,15H,2-3H2,1H3,(H,16,17)"	"GOIQOQCNFWYSTQ-UHFFFAOYSA-N"	FALSE	TRUE	2001	3	5
"96-88-8"	"DTXSID9023259"	"Mepivacaine"	"EPA_DSSTox"	"CC1C=CC=C(C)C=1NC(=O)C1CCCCN1C"	"?"	"InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)"	"INWLQCZOYSRPNW-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"96-96-8"	"DTXSID3044750"	"4-Methoxy-2-nitroaniline"	"EPA_DSSTox"	"COC1C=C(C(N)=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C7H8N2O3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3"	"QFMJFXFXQAFGBO-UHFFFAOYSA-N"	FALSE	TRUE	14100	4	5
"96-98-0"	"DTXSID6025642"	"4-Methyl-3-nitrobenzoic acid"	"EPA_DSSTox"	"CC1C=CC(=CC=1[N+]([O-])=O)C(O)=O"	"?"	"InChI=1S/C8H7NO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11)"	"BBEWSMNRCUXQRF-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"96-99-1"	"DTXSID7059143"	"Benzoic acid, 4-chloro-3-nitro-"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC(=CC=C1Cl)C(O)=O"	"?"	"InChI=1S/C7H4ClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)"	"DFXQXFGFOLXAPO-UHFFFAOYSA-N"	FALSE	TRUE	3150	3	5
"961-11-5"	"DTXSID1021320"	"Tetrachlorovinphos"	"EPA_DSSTox"	"COP(=O)(OC(=CCl)C1C=C(Cl)C(Cl)=CC=1Cl)OC"	"?"	"InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3"	"UBCKGWBNUIFUST-UHFFFAOYSA-N"	FALSE	TRUE	4000	3	5
"96222-01-4"	"DTXSID90242174"	"4-(3-Cyclohexylpropionyl)-1-(2-ethoxyphenyl)piperazine"	"EPA_DSSTox"	"CCOC1=CC=CC=C1N1CCN(CC1)C(=O)CCC1CCCCC1"	"Cl"	"InChI=1S/C21H32N2O2/c1-2-25-20-11-7-6-10-19(20)22-14-16-23(17-15-22)21(24)13-12-18-8-4-3-5-9-18/h6-7,10-11,18H,2-5,8-9,12-17H2,1H3"	"VVRJSSAKBZOXOJ-UHFFFAOYSA-N"	FALSE	TRUE	2422	3	5
"96250-37-2"	"DTXSID60242181"	"2-Propenoic acid, 2-fluoro-, 2,2,3,3-tetrafluoropropyl ester"	"EPA_DSSTox"	"C=C(F)C(=O)OCC(F)(F)C(F)F"	"?"	"InChI=1S/C6H5F5O2/c1-3(7)4(12)13-2-6(10,11)5(8)9/h5H,1-2H2"	"OOPSTBSKXWPLKJ-UHFFFAOYSA-N"	FALSE	FALSE	60	2	3
"963-03-1"	"DTXSID20877236"	"BENZENESULFONAMIDE, 4-CHLORO-N-[(CYCLOHEXYLAMINO"	"EPA_DSSTox"	"O/C(/NS(=O)(=O)C1C=CC(Cl)=CC=1)=N\C1CCCCC1"	"?"	"InChI=1S/C13H17ClN2O3S/c14-10-6-8-12(9-7-10)20(18,19)16-13(17)15-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,15,16,17)"	"TYZHJGCYLYXPSB-UHFFFAOYSA-N"	FALSE	FALSE	1525	3	4
"963-34-8"	"DTXSID90242194"	"6-Aminomethaqualone"	"EPA_DSSTox"	"CC1=CC=CC=C1N1C(=O)C2=CC(N)=CC=C2N=C1C"	"?"	"InChI=1S/C16H15N3O/c1-10-5-3-4-6-15(10)19-11(2)18-14-8-7-12(17)9-13(14)16(19)20/h3-9H,17H2,1-2H3"	"GOZTWIXHTIBOHQ-UHFFFAOYSA-N"	FALSE	FALSE	60	2	3
"963-39-3"	"DTXSID4046155"	"Demoxepam"	"EPA_DSSTox"	"[O-][N+]1CC(=O)NC2C=CC(Cl)=CC=2C=1C1C=CC=CC=1"	"?"	"InChI=1S/C15H11ClN2O2/c16-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)18(20)9-14(19)17-13/h1-8H,9H2,(H,17,19)"	"GGRWZBVSUZZMKS-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"964-52-3"	"DTXSID9046946"	"Moxisylyte hydrochloride"	"EPA_DSSTox"	"CC1C=C(OCCN(C)C)C(=CC=1OC(C)=O)C(C)C"	"Cl"	"InChI=1S/C16H25NO3/c1-11(2)14-10-15(20-13(4)18)12(3)9-16(14)19-8-7-17(5)6/h9-11H,7-8H2,1-6H3"	"VRYMTAVOXVTQEF-UHFFFAOYSA-N"	FALSE	FALSE	740	3	4
"964-82-9"	NA	NA	"Public_CrossChecked"	"CC=CCC(C(O)=O)C1C=CC(=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C18H18O2/c1-2-3-9-17(18(19)20)16-12-10-15(11-13-16)14-7-5-4-6-8-14/h2-8,10-13,17H,9H2,1H3,(H,19,20)"	"ZVRCODPBROUJIT-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"96480-44-3"	NA	NA	"Public_CrossChecked"	"CN1CC2CN(CC(C1)C2OC(=O)C1C=CC(Cl)=CC=1)CC"	"Cl"	"InChI=1S/C17H23ClN2O2/c1-3-20-10-13-8-19(2)9-14(11-20)16(13)22-17(21)12-4-6-15(18)7-5-12/h4-7,13-14,16H,3,8-11H2,1-2H3"	"PMCPYLGCPSNSLS-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"96489-71-3"	"DTXSID5032573"	"Pyridaben"	"EPA_DSSTox"	"CC(C)(C)N1N=CC(SCC2C=CC(=CC=2)C(C)(C)C)=C(Cl)C1=O"	"?"	"InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3"	"DWFZBUWUXWZWKD-UHFFFAOYSA-N"	FALSE	FALSE	570	3	4
"965-40-2"	"DTXSID30242279"	"Succinic acid dicyclohexyl ester"	"EPA_DSSTox"	"O=C(CCC(=O)OC1CCCCC1)OC1CCCCC1"	"?"	"InChI=1S/C16H26O4/c17-15(19-13-7-3-1-4-8-13)11-12-16(18)20-14-9-5-2-6-10-14/h13-14H,1-12H2"	"WWQSMJYMCWMODI-UHFFFAOYSA-N"	FALSE	TRUE	12000	4	5
"96513-83-6"	NA	NA	"Public_CrossChecked"	"CC(C)CC(CCN(C(C)C)C(C)C)(C(N)=O)C1C=CC=CN=1"	"?"	"InChI=1S/C19H33N3O/c1-14(2)13-19(18(20)23,17-9-7-8-11-21-17)10-12-22(15(3)4)16(5)6/h7-9,11,14-16H,10,12-13H2,1-6H3,(H2,20,23)"	"ZZOZYGHXNQPIPS-UHFFFAOYSA-N"	FALSE	FALSE	1100	3	4
"96515-74-1"	"DTXSID5021099"	"Palonidipine hydrochloride"	"EPA_DSSTox"	"COC(=O)C1C(C(C(=O)OCC(C)(C)CN(C)CC2C=CC=CC=2)=C(C)NC=1C)C1=CC(=CC=C1F)[N+]([O-])=O"	"Cl"	"InChI=1S/C29H34FN3O6/c1-18-24(27(34)38-6)26(22-14-21(33(36)37)12-13-23(22)30)25(19(2)31-18)28(35)39-17-29(3,4)16-32(5)15-20-10-8-7-9-11-20/h7-14,26,31H,15-17H2,1-6H3"	"MUNSLZPCNUVWCH-UHFFFAOYSA-N"	TRUE	FALSE	30.54	1	2
"96525-23-4"	"DTXSID5058228"	"Flurtamone"	"EPA_DSSTox"	"CNC1OC(C(=O)C=1C1C=C(C=CC=1)C(F)(F)F)C1C=CC=CC=1"	"?"	"InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3"	"NYRMIJKDBAQCHC-UHFFFAOYSA-N"	FALSE	NA	NA	NA	NA
"96719-43-6"	NA	NA	"Public_CrossChecked"	"C1CN(C(C2C=CC=CC=21)C1C=CC=CC=1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C21H19N/c1-3-10-18(11-4-1)21-20-14-8-7-9-17(20)15-16-22(21)19-12-5-2-6-13-19/h1-14,21H,15-16H2"	"FDZNPOXDIHEVRB-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"96719-45-8"	NA	NA	"Public_CrossChecked"	"FC1C=CC=CC=1C1C2C=CC=CC=2CCN1C1=CC(=CC=C1)C(F)(F)F"	"?"	"InChI=1S/C22H17F4N/c23-20-11-4-3-10-19(20)21-18-9-2-1-6-15(18)12-13-27(21)17-8-5-7-16(14-17)22(24,25)26/h1-11,14,21H,12-13H2"	"QBRQMRMDTBMGAR-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"96719-46-9"	NA	NA	"Public_CrossChecked"	"COC1=CC2CCN(C(C=2C=C1)C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C22H21NO/c1-24-20-12-13-21-18(16-20)14-15-23(19-10-6-3-7-11-19)22(21)17-8-4-2-5-9-17/h2-13,16,22H,14-15H2,1H3"	"FNPFSMMZCAJYPR-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"96719-47-0"	NA	NA	"Public_CrossChecked"	"COC1=CC2CCN(C(C=2C=C1)C1C=CC=CC=1Br)C1C=CC=CC=1"	"?"	"InChI=1S/C22H20BrNO/c1-25-18-11-12-19-16(15-18)13-14-24(17-7-3-2-4-8-17)22(19)20-9-5-6-10-21(20)23/h2-12,15,22H,13-14H2,1H3"	"XDFFYTDEZDZQNK-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"96719-49-2"	NA	NA	"Public_CrossChecked"	"COC1=CC2CCN(C(C=2C=C1)C1C=CC=CC=1[N+]([O-])=O)C1C=CC=CC=1"	"?"	"InChI=1S/C22H20N2O3/c1-27-18-11-12-19-16(15-18)13-14-23(17-7-3-2-4-8-17)22(19)20-9-5-6-10-21(20)24(25)26/h2-12,15,22H,13-14H2,1H3"	"DSZPHTQRMCGHOZ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"96719-50-5"	NA	NA	"Public_CrossChecked"	"COC1=CC2CCN(C(C=2C=C1)C1C=CC=CC=1N)C1C=CC=CC=1"	"?"	"InChI=1S/C22H22N2O/c1-25-18-11-12-19-16(15-18)13-14-24(17-7-3-2-4-8-17)22(19)20-9-5-6-10-21(20)23/h2-12,15,22H,13-14,23H2,1H3"	"AKELMUVAOCPJQX-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"96719-51-6"	NA	NA	"Public_CrossChecked"	"COC1=CC2CCN(C(C=2C=C1)C1C=CC=CC=1OC)C1C=CC=CC=1"	"?"	"InChI=1S/C23H23NO2/c1-25-19-12-13-20-17(16-19)14-15-24(18-8-4-3-5-9-18)23(20)21-10-6-7-11-22(21)26-2/h3-13,16,23H,14-15H2,1-2H3"	"GZKGIHUTMXMHBE-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"96719-54-9"	NA	NA	"Public_CrossChecked"	"COC1=CC2CCN(C(C=2C=C1)C1=CC(Cl)=CC=C1)C1C=CC=CC=1"	"?"	"InChI=1S/C22H20ClNO/c1-25-20-10-11-21-16(15-20)12-13-24(19-8-3-2-4-9-19)22(21)17-6-5-7-18(23)14-17/h2-11,14-15,22H,12-13H2,1H3"	"QTMHZXNYRSWGDP-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"96719-59-4"	NA	NA	"Public_CrossChecked"	"COC1=CC2CCN(C(C=2C=C1)C1=CC(=CC=C1)C(F)(F)F)C1C=CC=CC=1"	"?"	"InChI=1S/C23H20F3NO/c1-28-20-10-11-21-16(15-20)12-13-27(19-8-3-2-4-9-19)22(21)17-6-5-7-18(14-17)23(24,25)26/h2-11,14-15,22H,12-13H2,1H3"	"CRGSEZGTSABFPT-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"96719-60-7"	NA	NA	"Public_CrossChecked"	"COC1=CC2CCN(C(C=2C=C1)C1C=CC(Br)=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C22H20BrNO/c1-25-20-11-12-21-17(15-20)13-14-24(19-5-3-2-4-6-19)22(21)16-7-9-18(23)10-8-16/h2-12,15,22H,13-14H2,1H3"	"JZWXUANUQPJQOI-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"96719-62-9"	NA	NA	"Public_CrossChecked"	"COC1=CC2CCN(C(C=2C=C1)C1C=CC(F)=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C22H20FNO/c1-25-20-11-12-21-17(15-20)13-14-24(19-5-3-2-4-6-19)22(21)16-7-9-18(23)10-8-16/h2-12,15,22H,13-14H2,1H3"	"HMALRTIODVSZQS-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"96719-64-1"	NA	NA	"Public_CrossChecked"	"COC1=CC2CCN(C(C=2C=C1)C1C=CC(=CC=1)OC)C1C=CC=CC=1"	"?"	"InChI=1S/C23H23NO2/c1-25-20-10-8-17(9-11-20)23-22-13-12-21(26-2)16-18(22)14-15-24(23)19-6-4-3-5-7-19/h3-13,16,23H,14-15H2,1-2H3"	"YGGGFIXJKTVTNF-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"96719-65-2"	NA	NA	"Public_CrossChecked"	"COC1=CC2CCN(C(C3=CC=C(C=C3)OCC3C=CC=CC=3)C=2C=C1)C1C=CC=CC=1"	"?"	"InChI=1S/C29H27NO2/c1-31-27-16-17-28-24(20-27)18-19-30(25-10-6-3-7-11-25)29(28)23-12-14-26(15-13-23)32-21-22-8-4-2-5-9-22/h2-17,20,29H,18-19,21H2,1H3"	"AWYDWYRAFPQDAV-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"96719-67-4"	NA	NA	"Public_CrossChecked"	"COC1=CC2CCN(C(C=2C=C1)C1C=CC(=CC=1)OCCN1CCCCC1)C1C=CC=CC=1"	"?"	"InChI=1S/C29H34N2O2/c1-32-27-14-15-28-24(22-27)16-19-31(25-8-4-2-5-9-25)29(28)23-10-12-26(13-11-23)33-21-20-30-17-6-3-7-18-30/h2,4-5,8-15,22,29H,3,6-7,16-21H2,1H3"	"ITLSLIOXUMKROB-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"96719-68-5"	NA	NA	"Public_CrossChecked"	"COC1=CC2CCN(C(C=2C=C1)C1=CC(F)=CC=C1)C1=CC(F)=CC=C1"	"?"	"InChI=1S/C22H19F2NO/c1-26-20-8-9-21-15(13-20)10-11-25(19-7-3-6-18(24)14-19)22(21)16-4-2-5-17(23)12-16/h2-9,12-14,22H,10-11H2,1H3"	"DZFOJIAPAGYNSN-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"96719-69-6"	NA	NA	"Public_CrossChecked"	"COC1C=C2CCN(C(C2=CC=1OC)C1C=CC=CC=1Cl)C1C=CC=CC=1"	"?"	"InChI=1S/C23H22ClNO2/c1-26-21-14-16-12-13-25(17-8-4-3-5-9-17)23(19(16)15-22(21)27-2)18-10-6-7-11-20(18)24/h3-11,14-15,23H,12-13H2,1-2H3"	"WOGBWKXVEKKSJS-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"96719-71-0"	NA	NA	"Public_CrossChecked"	"FC1C=CC=CC=1C1C2C=C3OCOC3=CC=2CCN1C1C=CC=CC=1"	"?"	"InChI=1S/C22H18FNO2/c23-19-9-5-4-8-17(19)22-18-13-21-20(25-14-26-21)12-15(18)10-11-24(22)16-6-2-1-3-7-16/h1-9,12-13,22H,10-11,14H2"	"YQFAARLYHRUZFL-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"96733-88-9"	NA	NA	"Public_CrossChecked"	"COC1=CC2CCN(C(C=2C=C1)C1C=CC(=CC=1)OCCN1CCCC1)C1C=CC=CC=1"	"?"	"InChI=1S/C28H32N2O2/c1-31-26-13-14-27-23(21-26)15-18-30(24-7-3-2-4-8-24)28(27)22-9-11-25(12-10-22)32-20-19-29-16-5-6-17-29/h2-4,7-14,21,28H,5-6,15-20H2,1H3"	"AVXOIXIAWBSTIZ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"96753-85-4"	"DTXSID20242501"	"1H-(1,2,4)Triazolo(3,4-c)(1,4)benzoxazin-1-one, 2,4-dihydro-6,8-dinitro-"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC(=C2OCC3N=NC(=O)N3C2=C1)[N+]([O-])=O"	"?"	"InChI=1S/C9H5N5O6/c15-9-11-10-7-3-20-8-5(12(7)9)1-4(13(16)17)2-6(8)14(18)19/h1-2,7H,3H2"	"CPKCOHOJHFPWHM-UHFFFAOYSA-N"	FALSE	TRUE	3690	3	5
"96753-93-4"	"DTXSID80242502"	"Carbamic acid, (oxybis(1H-benzimidazole-5,2-diyl))bis-, dimethyl ester"	"EPA_DSSTox"	"COC(=O)NC1NC2=CC(=CC=C2N=1)OC1C=C2NC(NC(=O)OC)=NC2=CC=1"	"?"	"InChI=1S/C18H16N6O5/c1-27-17(25)23-15-19-11-5-3-9(7-13(11)21-15)29-10-4-6-12-14(8-10)22-16(20-12)24-18(26)28-2/h3-8H,1-2H3,(H2,19,21,23,25)(H2,20,22,24,26)"	"CTIKCTPWGUDEDX-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"968-81-0"	"DTXSID7020007"	"Acetohexamide"	"EPA_DSSTox"	"CC(=O)C1C=CC(=CC=1)S(=O)(=O)NC(=O)NC1CCCCC1"	"?"	"InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)"	"VGZSUPCWNCWDAN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"96892-56-7"	NA	NA	"Public_CrossChecked"	"OC1=CC2CCN(C(C=2C=C1)C1C=CC(F)=CC=1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C21H18FNO/c22-17-8-6-15(7-9-17)21-20-11-10-19(24)14-16(20)12-13-23(21)18-4-2-1-3-5-18/h1-11,14,21,24H,12-13H2"	"AGADFQNWGUDFRP-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"969-33-5"	"DTXSID5042586"	"Cyproheptadine hydrochloride"	"EPA_DSSTox"	"CN1CCC(CC1)=C1C2C=CC=CC=2C=CC2C=CC=CC=21"	"Cl"	"InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3"	"JJCFRYNCJDLXIK-UHFFFAOYSA-N"	FALSE	FALSE	295	2	3
"97-02-9"	"DTXSID1021823"	"2,4-Dinitroaniline"	"EPA_DSSTox"	"NC1C=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C6H5N3O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,7H2"	"LXQOQPGNCGEELI-UHFFFAOYSA-N"	FALSE	FALSE	285	2	3
"97-11-0"	"DTXSID4041810"	"Cyclethrin"	"EPA_DSSTox"	"CC(C)=CC1C(C(=O)OC2CC(=O)C(C3CCC=C3)=C2C)C1(C)C"	"?"	"InChI=1S/C21H28O3/c1-12(2)10-15-19(21(15,4)5)20(23)24-17-11-16(22)18(13(17)3)14-8-6-7-9-14/h6,8,10,14-15,17,19H,7,9,11H2,1-5H3"	"YJXNJQHBVKTWCC-UHFFFAOYSA-N"	FALSE	FALSE	1410	3	4
"97-16-5"	"DTXSID5020447"	"2,4-Dichlorophenyl benzenesulfonate"	"EPA_DSSTox"	"O=S(=O)(OC1C=CC(Cl)=CC=1Cl)C1C=CC=CC=1"	"?"	"InChI=1S/C12H8Cl2O3S/c13-9-6-7-12(11(14)8-9)17-18(15,16)10-4-2-1-3-5-10/h1-8H"	"OZFAFGSSMRRTDW-UHFFFAOYSA-N"	FALSE	FALSE	1000	3	4
"97-17-6"	"DTXSID8040274"	"Dichlofenthion"	"EPA_DSSTox"	"CCOP(=S)(OC1C=CC(Cl)=CC=1Cl)OCC"	"?"	"InChI=1S/C10H13Cl2O3PS/c1-3-13-16(17,14-4-2)15-10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3"	"WGOWCPGHOCIHBW-UHFFFAOYSA-N"	FALSE	FALSE	172	2	3
"97-18-7"	"DTXSID9021342"	"Bithionol"	"EPA_DSSTox"	"OC1=C(C=C(Cl)C=C1Cl)SC1=CC(Cl)=CC(Cl)=C1O"	"?"	"InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H"	"JFIOVJDNOJYLKP-UHFFFAOYSA-N"	TRUE	FALSE	7	1	2
"97-23-4"	"DTXSID6021824"	"Dichlorophen"	"EPA_DSSTox"	"OC1=CC=C(Cl)C=C1CC1=CC(Cl)=CC=C1O"	"?"	"InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2"	"MDNWOSOZYLHTCG-UHFFFAOYSA-N"	FALSE	FALSE	1506	3	4
"97-36-9"	"DTXSID4040719"	"N-(2,4-Dimethylphenyl)-3-oxobutanamide"	"EPA_DSSTox"	"CC(=O)CC(=O)NC1=CC=C(C)C=C1C"	"?"	"InChI=1S/C12H15NO2/c1-8-4-5-11(9(2)6-8)13-12(15)7-10(3)14/h4-6H,7H2,1-3H3,(H,13,15)"	"HGVIAKXYAZRSEG-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"97-41-6"	"DTXSID2052651"	"Ethyl chrysanthemate"	"EPA_DSSTox"	"CC(C)=CC1C(C(=C)CCC)C1(C)C"	"?"	"InChI=1S/C14H24/c1-7-8-11(4)13-12(9-10(2)3)14(13,5)6/h9,12-13H,4,7-8H2,1-3,5-6H3"	"VYHWGQTZNDYWBY-UHFFFAOYSA-N"	FALSE	TRUE	2600	3	5
"97-51-8"	"DTXSID6059154"	"Benzaldehyde, 2-hydroxy-5-nitro-"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC(O)=C(C=1)C=O"	"?"	"InChI=1S/C7H5NO4/c9-4-5-3-6(8(11)12)1-2-7(5)10/h1-4,10H"	"IHFRMUGEILMHNU-UHFFFAOYSA-N"	FALSE	FALSE	799	3	4
"97-53-0"	"DTXSID9020617"	"Eugenol"	"EPA_DSSTox"	"COC1C=C(CC=C)C=CC=1O"	"?"	"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3"	"RRAFCDWBNXTKKO-UHFFFAOYSA-N"	FALSE	FALSE	1930	3	4
"97-54-1"	"DTXSID7022413"	"Isoeugenol"	"EPA_DSSTox"	"CC=CC1=CC(OC)=C(O)C=C1"	"?"	"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3"	"BJIOGJUNALELMI-UHFFFAOYSA-N"	FALSE	FALSE	1560	3	4
"97-61-0"	"DTXSID9021633"	"2-Methylpentanoic acid"	"EPA_DSSTox"	"CCCC(C)C(O)=O"	"?"	"InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)"	"OVBFMEVBMNZIBR-UHFFFAOYSA-N"	FALSE	TRUE	2040	3	5
"97-63-2"	"DTXSID1025308"	"Ethyl methacrylate"	"EPA_DSSTox"	"CC(=C)C(=O)OCC"	"?"	"InChI=1S/C6H10O2/c1-4-8-6(7)5(2)3/h2,4H2,1,3H3"	"SUPCQIBBMFXVTL-UHFFFAOYSA-N"	FALSE	TRUE	14800	4	5
"97-64-3"	"DTXSID6029127"	"Ethyl lactate"	"EPA_DSSTox"	"CCOC(=O)C(C)O"	"?"	"InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3"	"LZCLXQDLBQLTDK-UHFFFAOYSA-N"	FALSE	TRUE	8200	4	5
"97-72-3"	"DTXSID7026609"	"Isobutyric anhydride"	"EPA_DSSTox"	"CC(C)C(=O)OC(=O)C(C)C"	"?"	"InChI=1S/C8H14O3/c1-5(2)7(9)11-8(10)6(3)4/h5-6H,1-4H3"	"LSACYLWPPQLVSM-UHFFFAOYSA-N"	FALSE	TRUE	7700	4	5
"97-81-4"	NA	NA	"Public_CrossChecked"	"CCOC(=O)C1CC2CC1C1OC21"	"?"	"InChI=1S/C10H14O3/c1-2-12-10(11)7-4-5-3-6(7)9-8(5)13-9/h5-9H,2-4H2,1H3"	"DKVJAOMZYNDXCB-UHFFFAOYSA-N"	FALSE	TRUE	4760	3	5
"97-84-7"	"DTXSID0026121"	"N,N,N',N'-Tetramethyl-1,3-butanediamine"	"EPA_DSSTox"	"CN(C)CCC(C)N(C)C"	"?"	"InChI=1S/C8H20N2/c1-8(10(4)5)6-7-9(2)3/h8H,6-7H2,1-5H3"	"AXFVIWBTKYFOCY-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"97-85-8"	"DTXSID6026612"	"Isobutyl isobutyrate"	"EPA_DSSTox"	"CC(C)C(=O)OCC(C)C"	"?"	"InChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3"	"RXGUIWHIADMCFC-UHFFFAOYSA-N"	FALSE	TRUE	12800	4	5
"97-86-9"	"DTXSID3025461"	"Isobutyl methacrylate"	"EPA_DSSTox"	"CC(=C)C(=O)OCC(C)C"	"?"	"InChI=1S/C8H14O2/c1-6(2)5-10-8(9)7(3)4/h6H,3,5H2,1-2,4H3"	"RUMACXVDVNRZJZ-UHFFFAOYSA-N"	FALSE	TRUE	9590	4	5
"97-87-0"	"DTXSID9073888"	"Propanoic acid, 2-methyl-, butyl ester"	"EPA_DSSTox"	"CCCCOC(=O)C(C)C"	"?"	"InChI=1S/C8H16O2/c1-4-5-6-10-8(9)7(2)3/h7H,4-6H2,1-3H3"	"JSLCOZYBKYHZNL-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"97-88-1"	"DTXSID4024696"	"Butyl methacrylate"	"EPA_DSSTox"	"CC(=C)C(=O)OCCCC"	"?"	"InChI=1S/C8H14O2/c1-4-5-6-10-8(9)7(2)3/h2,4-6H2,1,3H3"	"SOGAXMICEFXMKE-UHFFFAOYSA-N"	FALSE	TRUE	16000	4	5
"97-94-9"	"DTXSID2052653"	"Triethylborane"	"EPA_DSSTox"	"CCB(CC)CC"	"?"	"InChI=1S/C6H15B/c1-4-7(5-2)6-3/h4-6H2,1-3H3"	"LALRXNPLTWZJIJ-UHFFFAOYSA-N"	FALSE	FALSE	235	2	3
"97-95-0"	"DTXSID2041416"	"2-Ethyl-1-butanol"	"EPA_DSSTox"	"CCC(CO)CC"	"?"	"InChI=1S/C6H14O/c1-3-6(4-2)5-7/h6-7H,3-5H2,1-2H3"	"TZYRSLHNPKPEFV-UHFFFAOYSA-N"	FALSE	FALSE	1850	3	4
"97-96-1"	"DTXSID3049380"	"2-Ethylbutyraldehyde"	"EPA_DSSTox"	"CCC(CC)C=O"	"?"	"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3"	"UNNGUFMVYQJGTD-UHFFFAOYSA-N"	FALSE	TRUE	3980	3	5
"97-99-4"	"DTXSID1029128"	"Tetrahydrofurfuryl alcohol"	"EPA_DSSTox"	"OCC1CCCO1"	"?"	"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2"	"BSYVTEYKTMYBMK-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"971-15-3"	"DTXSID4020535"	"Bis(1-piperidinylthioxomethyl)hexasulfide"	"EPA_DSSTox"	"S=C(SSSSSSC(=S)N1CCCCC1)N1CCCCC1"	"?"	"InChI=1S/C12H20N2S8/c15-11(13-7-3-1-4-8-13)17-19-21-22-20-18-12(16)14-9-5-2-6-10-14/h1-10H2"	"HPFHYRNETZEPIV-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"97110-59-3"	NA	NA	"Public_CrossChecked"	"OC1(N=CN[N+]2=CC=C3C=CC=CC3=C12)C1C=CC(Cl)=CC=1"	"CCS(=O)(=O)[O-]"	"InChI=1S/C17H13ClN3O/c18-14-7-5-13(6-8-14)17(22)16-15-4-2-1-3-12(15)9-10-21(16)20-11-19-17/h1-11,22H,(H,19,20)/q+1"	"BHGKFSWHUYVRRH-UHFFFAOYSA-N"	FALSE	FALSE	1300	3	4
"97174-79-3"	"DTXSID10242752"	"WIN-3074"	"EPA_DSSTox"	"O=C1C2=CC=CC=C2C(=O)N1CCC1=CC=CC=N1"	"Cl"	"InChI=1S/C15H12N2O2/c18-14-12-6-1-2-7-13(12)15(19)17(14)10-8-11-5-3-4-9-16-11/h1-7,9H,8,10H2"	"XDSOQPQMYBPJND-UHFFFAOYSA-N"	FALSE	FALSE	860	3	4
"972-02-1"	"DTXSID3022950"	"Diphenidol"	"EPA_DSSTox"	"OC(CCCN1CCCCC1)(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2"	"OGAKLTJNUQRZJU-UHFFFAOYSA-N"	FALSE	FALSE	515	3	4
"973-21-7"	"DTXSID4040268"	"Dinobuton"	"EPA_DSSTox"	"CC(C)OC(=O)OC1C(=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O)C(C)CC"	"?"	"InChI=1S/C14H18N2O7/c1-5-9(4)11-6-10(15(18)19)7-12(16(20)21)13(11)23-14(17)22-8(2)3/h6-9H,5H2,1-4H3"	"HDWLUGYOLUHEMN-UHFFFAOYSA-N"	FALSE	FALSE	59	2	3
"973-28-4"	NA	NA	"Public_CrossChecked"	"CCOP(=S)(OCC)SC(C1C=CC=CC=1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C17H20ClO2PS2/c1-3-19-21(22,20-4-2)23-17(14-8-6-5-7-9-14)15-10-12-16(18)13-11-15/h5-13,17H,3-4H2,1-2H3"	"IQXFUWXKKYVIGJ-UHFFFAOYSA-N"	FALSE	TRUE	10000	4	5
"97322-87-7"	"DTXSID8023719"	"Troglitazone"	"EPA_DSSTox"	"CC1=C(O)C(C)=C2CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)OC2=C1C"	"?"	"InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)"	"GXPHKUHSUJUWKP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"97392-14-8"	"DTXSID70242915"	"1-Butanone, 1-(10-(3-morpholinopropyl)phenothiazin-2-yl)-"	"EPA_DSSTox"	"CCCC(=O)C1C=C2C(=CC=1)SC1=CC=CC=C1N2CCCN1CCOCC1"	"?"	"InChI=1S/C23H28N2O2S/c1-2-6-21(26)18-9-10-23-20(17-18)25(19-7-3-4-8-22(19)28-23)12-5-11-24-13-15-27-16-14-24/h3-4,7-10,17H,2,5-6,11-16H2,1H3"	"UHDGFGHAZFXBCG-UHFFFAOYSA-N"	FALSE	TRUE	3500	3	5
"97519-39-6"	"DTXSID4045925"	"Ceftibuten"	"EPA_DSSTox"	"NC1=NC(=CS1)C(=CCC(O)=O)C(=O)NC1C2SCC=C(C(O)=O)N2C1=O"	"?"	"InChI=1S/C15H14N4O6S2/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25)"	"UNJFKXSSGBWRBZ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"976-70-5"	"DTXSID10875403"	"6,7-DIHYDROCANRENONE"	"EPA_DSSTox"	"CC12CCC3C(CCC43CCC(=O)O4)C1CCC1=CC(=O)CCC21C"	"?"	"InChI=1S/C22H30O3/c1-20-9-5-15(23)13-14(20)3-4-17-16-6-11-22(12-8-19(24)25-22)18(16)7-10-21(17,20)2/h13,16-18H,3-12H2,1-2H3"	"XDMUECKKVXCUQN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"97683-31-3"	"DTXSID8048787"	"Egualen sodium"	"EPA_DSSTox"	"CCC1C=C(C2=CC(=CC=CC2=1)C(C)C)S(O)(=O)=O"	"[Na+]"	"InChI=1S/C15H18O3S/c1-4-11-9-15(19(16,17)18)14-8-12(10(2)3)6-5-7-13(11)14/h5-10H,4H2,1-3H3,(H,16,17,18)"	"NARQSHREEUXZBT-UHFFFAOYSA-N"	FALSE	FALSE	1096	3	4
"97699-69-9"	"DTXSID40243131"	"2-Naphthaleneacetic acid, 6-methoxy-alpha-methyl-, (1,4-piperazinediyl)diethylene ester, (S-(R*,R*))-"	"EPA_DSSTox"	"CC(C1C=C2C=CC(=CC2=CC=1)OC)C(=O)OCCN1CCN(CC1)CCOC(=O)C(C)C1C=C2C=CC(=CC2=CC=1)OC"	"?"	"InChI=1S/C36H42N2O6/c1-25(27-5-7-31-23-33(41-3)11-9-29(31)21-27)35(39)43-19-17-37-13-15-38(16-14-37)18-20-44-36(40)26(2)28-6-8-32-24-34(42-4)12-10-30(32)22-28/h5-12,21-26H,13-20H2,1-4H3"	"SMTKYORFZSFAQI-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"97699-81-5"	"DTXSID90243141"	"2-Naphthaleneacetic acid, 6-methoxy-alpha-methyl-, 2-(4-(p-aminobenzyl)-1-piperazinyl)ethyl ester, (S)-"	"EPA_DSSTox"	"COC1=CC2=CC=C(C=C2C=C1)C(C)C(=O)OCCN1CCN(CC2C=CC(N)=CC=2)CC1"	"?"	"InChI=1S/C27H33N3O3/c1-20(22-5-6-24-18-26(32-2)10-7-23(24)17-22)27(31)33-16-15-29-11-13-30(14-12-29)19-21-3-8-25(28)9-4-21/h3-10,17-18,20H,11-16,19,28H2,1-2H3"	"ZRPNHOLGJRMKFB-UHFFFAOYSA-N"	FALSE	FALSE	1600	3	4
"97755-90-3"	NA	NA	"Public_CrossChecked"	"ClCC[N+]1(CCCO1)CCCCCC[N+]1(CCCl)CCCO1"	"[I-].[I-]"	"InChI=1S/C16H32Cl2N2O2/c17-7-13-19(11-5-15-21-19)9-3-1-2-4-10-20(14-8-18)12-6-16-22-20/h1-16H2/q+2"	"SCSGSUCJIAGWHC-UHFFFAOYSA-N"	TRUE	FALSE	30	1	2
"97780-06-8"	"DTXSID9034573"	"Ethametsulfuron-methyl"	"EPA_DSSTox"	"COC(=O)C1C=CC=CC=1S(=O)(=O)NC(=O)NC1N=C(N=C(NC)N=1)OCC"	"?"	"InChI=1S/C15H18N6O6S/c1-4-27-15-19-12(16-2)17-13(20-15)18-14(23)21-28(24,25)10-8-6-5-7-9(10)11(22)26-3/h5-8H,4H2,1-3H3,(H3,16,17,18,19,20,21,23)"	"ZINJLDJMHCUBIP-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"97817-06-6"	"DTXSID70243265"	"Thiazolo(5,4-c)pyridine-5(4H)-carboxamide, 6,7-dihydro-2-((aminoiminomethyl)amino)-N-cyclopropyl-"	"EPA_DSSTox"	"NC(N)=NC1=NC2CCN(CC=2S1)C(=O)NC1CC1"	"?"	"InChI=1S/C11H16N6OS/c12-9(13)16-10-15-7-3-4-17(5-8(7)19-10)11(18)14-6-1-2-6/h6H,1-5H2,(H,14,18)(H4,12,13,15,16)"	"IDLFGBDIKSBCRO-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"97817-39-5"	"DTXSID20243270"	"Thiazolo(5,4-c)pyridine-5(4H)-carboxamide, 6,7-dihydro-2-((aminoiminomethyl)amino)-N-(1-methylethyl)-"	"EPA_DSSTox"	"CC(C)NC(=O)N1CCC2N=C(N=C(N)N)SC=2C1"	"?"	"InChI=1S/C11H18N6OS/c1-6(2)14-11(18)17-4-3-7-8(5-17)19-10(15-7)16-9(12)13/h6H,3-5H2,1-2H3,(H,14,18)(H4,12,13,15,16)"	"LNVAHBMIMOJDRD-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"97886-45-8"	"DTXSID9032379"	"Dithiopyr"	"EPA_DSSTox"	"CC(C)CC1C(=C(N=C(C=1C(=O)SC)C(F)(F)F)C(F)F)C(=O)SC"	"?"	"InChI=1S/C15H16F5NO2S2/c1-6(2)5-7-8(13(22)24-3)10(12(16)17)21-11(15(18,19)20)9(7)14(23)25-4/h6,12H,5H2,1-4H3"	"YUBJPYNSGLJZPQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"97887-77-9"	"DTXSID6073732"	"3,5-Pyridinedicarboxylic acid, 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, dimethyl ester"	"EPA_DSSTox"	"CC(C)CC1C(=C(N=C(C=1C(=O)OC)C(F)(F)F)C(F)F)C(=O)OC"	"?"	"InChI=1S/C15H16F5NO4/c1-6(2)5-7-8(13(22)24-3)10(12(16)17)21-11(15(18,19)20)9(7)14(23)25-4/h6,12H,5H2,1-4H3"	"ZQOKGFJVSMHJSW-UHFFFAOYSA-N"	FALSE	FALSE	1420	3	4
"97901-22-9"	NA	NA	"Public_CrossChecked"	"OC(=O)C1C=C2CCC(CC2=CC=1)CN1C=NC=C1"	"?"	"InChI=1S/C15H16N2O2/c18-15(19)14-4-3-12-7-11(1-2-13(12)8-14)9-17-6-5-16-10-17/h3-6,8,10-11H,1-2,7,9H2,(H,18,19)"	"VJJHOPPXRPHVCA-UHFFFAOYSA-N"	FALSE	FALSE	1994	3	4
"98-00-0"	"DTXSID2025347"	"Furfuryl alcohol"	"EPA_DSSTox"	"OCC1=CC=CO1"	"?"	"InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2"	"XPFVYQJUAUNWIW-UHFFFAOYSA-N"	FALSE	FALSE	177	2	3
"98-01-1"	"DTXSID1020647"	"Furfural"	"EPA_DSSTox"	"O=CC1=CC=CO1"	"?"	"InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H"	"HYBBIBNJHNGZAN-UHFFFAOYSA-N"	FALSE	FALSE	100	2	3
"98-06-6"	"DTXSID3047138"	"tert-Butylbenzene"	"EPA_DSSTox"	"CC(C)(C)C1C=CC=CC=1"	"?"	"InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3"	"YTZKOQUCBOVLHL-UHFFFAOYSA-N"	FALSE	TRUE	3045	3	5
"98-07-7"	"DTXSID1020148"	"Benzotrichloride"	"EPA_DSSTox"	"ClC(Cl)(Cl)C1C=CC=CC=1"	"?"	"InChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H"	"XEMRAKSQROQPBR-UHFFFAOYSA-N"	FALSE	FALSE	1590	3	4
"98-09-9"	"DTXSID1026619"	"Benzenesulfonyl chloride"	"EPA_DSSTox"	"O=S(=O)(Cl)C1C=CC=CC=1"	"?"	"InChI=1S/C6H5ClO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H"	"CSKNSYBAZOQPLR-UHFFFAOYSA-N"	FALSE	FALSE	1960	3	4
"98-29-3"	"DTXSID5024687"	"4-tert-Butylcatechol"	"EPA_DSSTox"	"CC(C)(C)C1=CC(O)=C(O)C=C1"	"?"	"InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3"	"XESZUVZBAMCAEJ-UHFFFAOYSA-N"	FALSE	FALSE	815	3	4
"98-51-1"	"DTXSID1024704"	"4-tert-Butyltoluene"	"EPA_DSSTox"	"CC1C=CC(=CC=1)C(C)(C)C"	"?"	"InChI=1S/C11H16/c1-9-5-7-10(8-6-9)11(2,3)4/h5-8H,1-4H3"	"QCWXDVFBZVHKLV-UHFFFAOYSA-N"	FALSE	FALSE	1555	3	4
"98-52-2"	"DTXSID5026623"	"4-tert-Butylcyclohexanol"	"EPA_DSSTox"	"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"	FALSE	TRUE	4200	3	5
"98-53-3"	"DTXSID7044394"	"4-tert-Butylcyclohexanone"	"EPA_DSSTox"	"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"	FALSE	TRUE	5001	4	5
"98-55-5"	"DTXSID5026625"	"alpha-Terpineol"	"EPA_DSSTox"	"CC1CCC(CC=1)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"	FALSE	TRUE	5170	4	5
"98-56-6"	"DTXSID7024821"	"1-Chloro-4-(trifluoromethyl)benzene"	"EPA_DSSTox"	"FC(F)(F)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H"	"QULYNCCPRWKEMF-UHFFFAOYSA-N"	FALSE	TRUE	13000	4	5
"98-60-2"	"DTXSID4059174"	"Benzenesulfonyl chloride, 4-chloro-"	"EPA_DSSTox"	"O=S(=O)(Cl)C1=CC=C(Cl)C=C1"	"?"	"InChI=1S/C6H4Cl2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H"	"ZLYBFBAHAQEEQQ-UHFFFAOYSA-N"	FALSE	TRUE	4250	3	5
"98-66-8"	"DTXSID7044473"	"4-Chlorobenzenesulfonic acid"	"EPA_DSSTox"	"OS(=O)(=O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C6H5ClO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)"	"RJWBTWIBUIGANW-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98-73-7"	"DTXSID0040703"	"4-tert-Butylbenzoic acid"	"EPA_DSSTox"	"CC(C)(C)C1C=CC(=CC=1)C(O)=O"	"?"	"InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)"	"KDVYCTOWXSLNNI-UHFFFAOYSA-N"	FALSE	FALSE	473	2	4
"98-85-1"	"DTXSID1020859"	"alpha-Methylbenzyl alcohol"	"EPA_DSSTox"	"CC(O)C1C=CC=CC=1"	"?"	"InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3"	"WAPNOHKVXSQRPX-UHFFFAOYSA-N"	FALSE	FALSE	400	2	4
"98-86-2"	"DTXSID6021828"	"Acetophenone"	"EPA_DSSTox"	"CC(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3"	"KWOLFJPFCHCOCG-UHFFFAOYSA-N"	FALSE	FALSE	857.5	3	4
"98-87-3"	"DTXSID6025014"	"Benzal chloride"	"EPA_DSSTox"	"ClC(Cl)C1C=CC=CC=1"	"?"	"InChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H"	"CAHQGWAXKLQREW-UHFFFAOYSA-N"	FALSE	TRUE	3249	3	5
"98-88-4"	"DTXSID9026631"	"Benzoyl chloride"	"EPA_DSSTox"	"O=C(Cl)C1C=CC=CC=1"	"?"	"InChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H"	"PASDCCFISLVPSO-UHFFFAOYSA-N"	FALSE	TRUE	2460	3	5
"98-89-5"	"DTXSID8059180"	"Cyclohexanecarboxylic acid"	"EPA_DSSTox"	"OC(=O)C1CCCCC1"	"?"	"InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)"	"NZNMSOFKMUBTKW-UHFFFAOYSA-N"	FALSE	TRUE	3265	3	5
"98-92-0"	"DTXSID2020929"	"Niacinamide"	"EPA_DSSTox"	"NC(=O)C1C=NC=CC=1"	"?"	"InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)"	"DFPAKSUCGFBDDF-UHFFFAOYSA-N"	FALSE	TRUE	3500	3	5
"98-95-3"	"DTXSID3020964"	"Nitrobenzene"	"EPA_DSSTox"	"[O-][N+](=O)C1C=CC=CC=1"	"?"	"InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H"	"LQNUZADURLCDLV-UHFFFAOYSA-N"	FALSE	FALSE	349	2	4
"980-26-7"	"DTXSID2052655"	"C.I. Pigment Red 122"	"EPA_DSSTox"	"CC1=CC2=C(C=C1)NC1=CC3=C(C=C1C2=O)NC1=CC=C(C)C=C1C3=O"	"?"	"InChI=1S/C22H16N2O2/c1-11-3-5-17-13(7-11)21(25)15-9-20-16(10-19(15)23-17)22(26)14-8-12(2)4-6-18(14)24-20/h3-10H,1-2H3,(H,23,25)(H,24,26)"	"TXWSZJSDZKWQAU-UHFFFAOYSA-N"	FALSE	TRUE	NA	NA	5
"980-71-2"	"DTXSID2052657"	"Brompheniramine maleate"	"EPA_DSSTox"	"CN(C)CCC(C1=CC=CC=N1)C1C=CC(Br)=CC=1"	"C(/C=C\C(=O)O)(=O)O"	"InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3"	"ZDIGNSYAACHWNL-UHFFFAOYSA-N"	FALSE	FALSE	318	2	4
"98043-60-8"	NA	NA	"Public_CrossChecked"	"O=C1NC2CCCCN2C21CCN(CCCN1C3C=C(Cl)C=CC=3CCC3C=CC=CC1=3)CC2"	"Cl.Cl"	"InChI=1S/C28H35ClN4O/c29-23-12-11-22-10-9-21-6-1-2-7-24(21)32(25(22)20-23)16-5-15-31-18-13-28(14-19-31)27(34)30-26-8-3-4-17-33(26)28/h1-2,6-7,11-12,20,26H,3-5,8-10,13-19H2,(H,30,34)"	"PXUIZULXJVRBPC-UHFFFAOYSA-N"	FALSE	TRUE	4912	3	5
"98119-87-0"	"DTXSID20243457"	"Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diimino)bis-"	"EPA_DSSTox"	"OC(=O)C1=CC=CC=C1NC(=O)C(=CC1C=CC=CC=1)C(=O)NC1=CC=CC=C1C(O)=O"	"?"	"InChI=1S/C24H18N2O6/c27-21(25-19-12-6-4-10-16(19)23(29)30)18(14-15-8-2-1-3-9-15)22(28)26-20-13-7-5-11-17(20)24(31)32/h1-14H,(H,25,27)(H,26,28)(H,29,30)(H,31,32)"	"RNVMJUCFJAEWSG-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"98124-05-1"	"DTXSID50243460"	"1H-Pyrrole-2-acetamide, N-(2-((3-chlorophenyl)amino)-2-oxoethyl)-1-methyl-5-(4-methylbenzoyl)-"	"EPA_DSSTox"	"CC1C=CC(=CC=1)C(=O)C1=CC=C(CC(=O)NCC(=O)NC2=CC(Cl)=CC=C2)N1C"	"?"	"InChI=1S/C23H22ClN3O3/c1-15-6-8-16(9-7-15)23(30)20-11-10-19(27(20)2)13-21(28)25-14-22(29)26-18-5-3-4-17(24)12-18/h3-12H,13-14H2,1-2H3,(H,25,28)(H,26,29)"	"PPZWTAUOIRQJHB-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98124-07-3"	"DTXSID10243461"	"1H-Pyrrole-2-acetamide, N-(2-((2-methoxyphenyl)amino)-2-oxoethyl)-1-methyl-5-(4-methylbenzoyl)-"	"EPA_DSSTox"	"CC1C=CC(=CC=1)C(=O)C1=CC=C(CC(=O)NCC(=O)NC2=CC=CC=C2OC)N1C"	"?"	"InChI=1S/C24H25N3O4/c1-16-8-10-17(11-9-16)24(30)20-13-12-18(27(20)2)14-22(28)25-15-23(29)26-19-6-4-5-7-21(19)31-3/h4-13H,14-15H2,1-3H3,(H,25,28)(H,26,29)"	"VSMIFBJUOGVYRY-UHFFFAOYSA-N"	FALSE	FALSE	1550	3	4
"98124-08-4"	"DTXSID70243462"	"1H-Pyrrole-2-acetamide, N-(2-((2,3-dimethylphenyl)amino)-2-oxoethyl)-1-methyl-5-(4-methylbenzoyl)-"	"EPA_DSSTox"	"CC1C=CC(=CC=1)C(=O)C1=CC=C(CC(=O)NCC(=O)NC2=CC=CC(C)=C2C)N1C"	"?"	"InChI=1S/C25H27N3O3/c1-16-8-10-19(11-9-16)25(31)22-13-12-20(28(22)4)14-23(29)26-15-24(30)27-21-7-5-6-17(2)18(21)3/h5-13H,14-15H2,1-4H3,(H,26,29)(H,27,30)"	"MESODXXYDHGARC-UHFFFAOYSA-N"	FALSE	FALSE	1300	3	4
"98216-44-5"	"DTXSID40243515"	"Ethanone, 1-(9H-fluoren-2-yl)-2-(1H-imidazol-1-yl)-"	"EPA_DSSTox"	"O=C(CN1C=NC=C1)C1C=C2CC3=CC=CC=C3C2=CC=1"	"?"	"InChI=1S/C18H14N2O/c21-18(11-20-8-7-19-12-20)14-5-6-17-15(10-14)9-13-3-1-2-4-16(13)17/h1-8,10,12H,9,11H2"	"SUGPLOJKALVEBK-UHFFFAOYSA-N"	FALSE	TRUE	4550	3	5
"98243-83-5"	"DTXSID0058229"	"Benalaxyl-M"	"EPA_DSSTox"	"CC1C=CC=C(C)C=1N(C(C)C(=O)OC)C(=O)CC1C=CC=CC=1"	"?"	"InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3"	"CJPQIRJHIZUAQP-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"98290-92-7"	NA	NA	"Public_CrossChecked"	"CC1=C(C(=O)NC2CCN(CCC3C=CC=CC=3)CC2)C2=CC(O)=CC=C2N1CCCC"	"Cl"	"InChI=1S/C27H35N3O2/c1-3-4-15-30-20(2)26(24-19-23(31)10-11-25(24)30)27(32)28-22-13-17-29(18-14-22)16-12-21-8-6-5-7-9-21/h5-11,19,22,31H,3-4,12-18H2,1-2H3,(H,28,32)"	"RTQZMJOPISROQH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"98318-25-3"	NA	NA	"Public_CrossChecked"	"CCOC(=O)C(NCCNC(C1C=CC=CC=1O)C(=O)OCC)C1C=CC=CC=1O"	"?"	"InChI=1S/C22H28N2O6/c1-3-29-21(27)19(15-9-5-7-11-17(15)25)23-13-14-24-20(22(28)30-4-2)16-10-6-8-12-18(16)26/h5-12,19-20,23-26H,3-4,13-14H2,1-2H3"	"OFGCPCGNQBNYMY-UHFFFAOYSA-N"	FALSE	FALSE	800	3	4
"98319-26-7"	"DTXSID3020625"	"Finasteride"	"EPA_DSSTox"	"CC(C)(C)NC(=O)C1CCC2C3CCC4NC(=O)C=CC4(C)C3CCC21C"	"?"	"InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)"	"DBEPLOCGEIEOCV-UHFFFAOYSA-N"	FALSE	FALSE	418	2	4
"98349-25-8"	"DTXSID50431269"	"ETHYL 1-CYCLOPROPYL-6,7-DIFLUORO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLATE"	"EPA_DSSTox"	"CCOC(=O)C1=CN(C2CC2)C2=CC(F)=C(F)C=C2C1=O"	"?"	"InChI=1S/C15H13F2NO3/c1-2-21-15(20)10-7-18(8-3-4-8)13-6-12(17)11(16)5-9(13)14(10)19/h5-8H,2-4H2,1H3"	"QYGNYHKBMNUIJN-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"98383-40-5"	NA	NA	"Public_CrossChecked"	"OCC1OC(C(O)C1O)N1C=NC2C1=NC=NC=2NCC(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C24H25N5O4/c30-12-18-20(31)21(32)24(33-18)29-14-28-19-22(26-13-27-23(19)29)25-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13-14,17-18,20-21,24,30-32H,11-12H2,(H,25,26,27)"	"TUGMXIURLRAWSS-UHFFFAOYSA-N"	FALSE	FALSE	166	2	3
"98389-04-9"	"DTXSID30243564"	"Pyrazosulfuron  [ISO:BSI]"	"EPA_DSSTox"	"CN1N=CC(C(O)=O)=C1S(=O)(=O)NC(=O)NC1N=C(C=C(N=1)OC)OC"	"?"	"InChI=1S/C12H14N6O7S/c1-18-9(6(5-13-18)10(19)20)26(22,23)17-12(21)16-11-14-7(24-2)4-8(15-11)25-3/h4-5H,1-3H3,(H,19,20)(H2,14,15,16,17,21)"	"VXMNDQDDWDDKOQ-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"98410-36-7"	"DTXSID30243569"	"Palatrigine"	"EPA_DSSTox"	"[H]/N=C1/N=C(N)C(=NN/1C(C)C)C1=CC=CC(Cl)=C1Cl"	"?"	"InChI=1S/C12H13Cl2N5/c1-6(2)19-12(16)17-11(15)10(18-19)7-4-3-5-8(13)9(7)14/h3-6H,1-2H3,(H3,15,16,17)"	"XJQJAFGEQVKYNF-UHFFFAOYSA-N"	FALSE	FALSE	229	2	3
"98459-18-8"	NA	NA	"Public_CrossChecked"	"CC1CCCC(C)N1CCCNC1=NNC2C=CC=CC=21"	"?"	"InChI=1S/C17H26N4/c1-13-7-5-8-14(2)21(13)12-6-11-18-17-15-9-3-4-10-16(15)19-20-17/h3-4,9-10,13-14H,5-8,11-12H2,1-2H3,(H2,18,19,20)"	"WGOFCCGLYQIQSC-UHFFFAOYSA-N"	FALSE	FALSE	700	3	4
"98476-13-2"	"DTXSID6073736"	"1H-Pyrazole-4-carboxylic acid, 5-cyano-1-(3-methylphenyl)-, ethyl ester"	"EPA_DSSTox"	"CC1C=C(C=CC=1)N1N=CC(=C1C#N)C(=O)OCC"	"?"	"InChI=1S/C14H13N3O2/c1-3-19-14(18)12-9-16-17(13(12)8-15)11-6-4-5-10(2)7-11/h4-7,9H,3H2,1-2H3"	"ABGIIDLTTLKRLV-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98477-07-7"	"DTXSID0073742"	"1H-Pyrazole-4-carboxamide, 5-cyano-1-(1,1-dimethylethyl)-N-methyl-"	"EPA_DSSTox"	"CC(C)(C)N1N=CC(C(=O)NC)=C1C#N"	"?"	"InChI=1S/C10H14N4O/c1-10(2,3)14-8(5-11)7(6-13-14)9(15)12-4/h6H,1-4H3,(H,12,15)"	"JLUPSFKBYGTZJQ-UHFFFAOYSA-N"	FALSE	FALSE	392	2	4
"98518-96-8"	"DTXSID90243601"	"1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-2,2-dimethoxyethyl)-"	"EPA_DSSTox"	"COC(CN1C=NC=N1)(OC)C1=CC2=CC=CC=C2O1"	"?"	"InChI=1S/C14H15N3O3/c1-18-14(19-2,8-17-10-15-9-16-17)13-7-11-5-3-4-6-12(11)20-13/h3-7,9-10H,8H2,1-2H3"	"QMEOZJFVKNIRTI-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98518-99-1"	NA	NA	"Public_CrossChecked"	"CCC1COC(CN2C=NC=N2)(O1)C1=CC2C=CC=CC=2O1"	"?"	"InChI=1S/C16H17N3O3/c1-2-13-8-20-16(22-13,9-19-11-17-10-18-19)15-7-12-5-3-4-6-14(12)21-15/h3-7,10-11,13H,2,8-9H2,1H3"	"NDNRJWWYXRNCTI-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98519-00-7"	"DTXSID10243603"	"1H-1,2,4-Triazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-1,3-dioxan-2-yl)methyl)-"	"EPA_DSSTox"	"ClC1C=C(Cl)C2OC(=CC=2C=1)C1(CN2C=NC=N2)OCCCO1"	"?"	"InChI=1S/C15H13Cl2N3O3/c16-11-4-10-5-13(23-14(10)12(17)6-11)15(21-2-1-3-22-15)7-20-9-18-8-19-20/h4-6,8-9H,1-3,7H2"	"QFJWSFXJJVIGIX-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98519-01-8"	NA	NA	"Public_CrossChecked"	"CC1OC(CN2C=NC=N2)(OC1C)C1=CC2C=C(Cl)C=C(Cl)C=2O1"	"?"	"InChI=1S/C16H15Cl2N3O3/c1-9-10(2)24-16(23-9,6-21-8-19-7-20-21)14-4-11-3-12(17)5-13(18)15(11)22-14/h3-5,7-10H,6H2,1-2H3"	"MOWWJUKSUIQMGV-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98519-06-3"	NA	NA	"Public_CrossChecked"	"CCC1COC(CN2C=NC=N2)(O1)C1=CC2C=C(Cl)C=CC=2O1"	"?"	"InChI=1S/C16H16ClN3O3/c1-2-13-7-21-16(23-13,8-20-10-18-9-19-20)15-6-11-5-12(17)3-4-14(11)22-15/h3-6,9-10,13H,2,7-8H2,1H3"	"GKGMLPKHSHONGE-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98519-07-4"	"DTXSID70243604"	"1H-1,2,4-Triazole, 1-((2-(5-chloro-2-benzofuranyl)-1,3-dioxan-2-yl)methyl)-"	"EPA_DSSTox"	"ClC1=CC2C=C(OC=2C=C1)C1(CN2C=NC=N2)OCCCO1"	"?"	"InChI=1S/C15H14ClN3O3/c16-12-2-3-13-11(6-12)7-14(22-13)15(20-4-1-5-21-15)8-19-10-17-9-18-19/h2-3,6-7,9-10H,1,4-5,8H2"	"HPZDVUSOTYHGHH-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98519-08-5"	"DTXSID30243605"	"1H-Imidazole, 1-((2-(2-benzofuranyl)-1,3-dioxolan-2-yl)methyl)-"	"EPA_DSSTox"	"C(N1C=NC=C1)C1(OCCO1)C1=CC2=CC=CC=C2O1"	"?"	"InChI=1S/C15H14N2O3/c1-2-4-13-12(3-1)9-14(20-13)15(18-7-8-19-15)10-17-6-5-16-11-17/h1-6,9,11H,7-8,10H2"	"ULLHBRIRWVRXQT-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98519-11-0"	"DTXSID90243606"	"1H-Imidazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-4-(ethoxymethyl)-1,3-dioxolan-2-yl)methyl)-, cis-"	"EPA_DSSTox"	"CCOCC1COC(CN2C=NC=C2)(O1)C1=CC2C=C(Cl)C=C(Cl)C=2O1"	"?"	"InChI=1S/C18H18Cl2N2O4/c1-2-23-8-14-9-24-18(26-14,10-22-4-3-21-11-22)16-6-12-5-13(19)7-15(20)17(12)25-16/h3-7,11,14H,2,8-10H2,1H3"	"KHGOTKDBPDRJOL-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98519-13-2"	"DTXSID50243607"	"1H-Imidazole, 1-((2-(2-benzofuranyl)-1,3-dioxan-2-yl)methyl)-"	"EPA_DSSTox"	"C(N1C=NC=C1)C1(OCCCO1)C1=CC2=CC=CC=C2O1"	"?"	"InChI=1S/C16H16N2O3/c1-2-5-14-13(4-1)10-15(21-14)16(19-8-3-9-20-16)11-18-7-6-17-12-18/h1-2,4-7,10,12H,3,8-9,11H2"	"QXWQGVSLRHBJTR-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98519-15-4"	"DTXSID10243608"	"1H-Imidazole, 1-((2-(2-benzofuranyl)-5,5-dimethyl-1,3-dioxan-2-yl)methyl)-"	"EPA_DSSTox"	"CC1(C)COC(CN2C=NC=C2)(OC1)C1=CC2=CC=CC=C2O1"	"?"	"InChI=1S/C18H20N2O3/c1-17(2)11-21-18(22-12-17,10-20-8-7-19-13-20)16-9-14-5-3-4-6-15(14)23-16/h3-9,13H,10-12H2,1-2H3"	"FRNBEHBDJUZZED-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98519-18-7"	"DTXSID80243610"	"1H-Imidazole, 1-((2-(5-chloro-2-benzofuranyl)-1,3-dioxolan-2-yl)methyl)-"	"EPA_DSSTox"	"ClC1=CC2C=C(OC=2C=C1)C1(CN2C=NC=C2)OCCO1"	"?"	"InChI=1S/C15H13ClN2O3/c16-12-1-2-13-11(7-12)8-14(21-13)15(19-5-6-20-15)9-18-4-3-17-10-18/h1-4,7-8,10H,5-6,9H2"	"JUVXPOMHSVYCJB-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98519-19-8"	"DTXSID40243611"	"1H-Imidazole, 1-(2-(5-methyl-2-(benzofuranyl)-1,3-dioxolan-2-yl)methyL)-"	"EPA_DSSTox"	"CC1C=C2C=C(OC2=CC=1)C1(CN2C=NC=C2)OCCO1"	"?"	"InChI=1S/C16H16N2O3/c1-12-2-3-14-13(8-12)9-15(21-14)16(19-6-7-20-16)10-18-5-4-17-11-18/h2-5,8-9,11H,6-7,10H2,1H3"	"MSNYPRXKBHEMMB-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98519-24-5"	"DTXSID00243612"	"1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-, trans-"	"EPA_DSSTox"	"CC1COC(CN2C=NC=N2)(O1)C1=CC2=CC=CC=C2O1"	"?"	"InChI=1S/C15H15N3O3/c1-11-7-19-15(21-11,8-18-10-16-9-17-18)14-6-12-4-2-3-5-13(12)20-14/h2-6,9-11H,7-8H2,1H3"	"PIIXAPHXKDVYRY-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98519-26-7"	"DTXSID20243614"	"1H-1,2,4-Triazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-, trans-"	"EPA_DSSTox"	"CC1COC(CN2C=NC=N2)(O1)C1=CC2C=C(Cl)C=C(Cl)C=2O1"	"?"	"InChI=1S/C15H13Cl2N3O3/c1-9-5-21-15(23-9,6-20-8-18-7-19-20)13-3-10-2-11(16)4-12(17)14(10)22-13/h2-4,7-9H,5-6H2,1H3"	"WWNAUNMOERXNGG-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98519-28-9"	"DTXSID80243615"	"1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-4-(methoxymethyl)-1,3-dioxolan-2-yl)methyl)-, trans-"	"EPA_DSSTox"	"COCC1COC(CN2C=NC=N2)(O1)C1=CC2=CC=CC=C2O1"	"?"	"InChI=1S/C16H17N3O4/c1-20-7-13-8-21-16(23-13,9-19-11-17-10-18-19)15-6-12-4-2-3-5-14(12)22-15/h2-6,10-11,13H,7-9H2,1H3"	"XGKPDTIWHMXLPQ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98519-29-0"	"DTXSID40243616"	"1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-4-(ethoxymethyl)-1,3-dioxolan-2-yl)methyl)-, trans-"	"EPA_DSSTox"	"CCOCC1COC(CN2C=NC=N2)(O1)C1=CC2=CC=CC=C2O1"	"?"	"InChI=1S/C17H19N3O4/c1-2-21-8-14-9-22-17(24-14,10-20-12-18-11-19-20)16-7-13-5-3-4-6-15(13)23-16/h3-7,11-12,14H,2,8-10H2,1H3"	"CPRBQLZJMPPOOS-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98519-31-4"	"DTXSID60243618"	"1H-1,2,4-Triazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-4-(ethoxymethyl)-1,3-dioxolan-2-yl)methyl)-, trans-"	"EPA_DSSTox"	"CCOCC1COC(CN2C=NC=N2)(O1)C1=CC2C=C(Cl)C=C(Cl)C=2O1"	"?"	"InChI=1S/C17H17Cl2N3O4/c1-2-23-6-13-7-24-17(26-13,8-22-10-20-9-21-22)15-4-11-3-12(18)5-14(19)16(11)25-15/h3-5,9-10,13H,2,6-8H2,1H3"	"QASDENMPAIDIOJ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98519-32-5"	NA	NA	"Public_CrossChecked"	"CC1(COC(CN2C=NC=N2)(OC1)C1=CC2C=CC=CC=2O1)CC"	"?"	"InChI=1S/C18H21N3O3/c1-3-17(2)10-22-18(23-11-17,9-21-13-19-12-20-21)16-8-14-6-4-5-7-15(14)24-16/h4-8,12-13H,3,9-11H2,1-2H3"	"QBIZYLGKEYAQGW-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98519-33-6"	NA	NA	"Public_CrossChecked"	"CC1(CCC)COC(CN2C=NC=N2)(OC1)C1=CC2C=CC=CC=2O1"	"?"	"InChI=1S/C19H23N3O3/c1-3-8-18(2)11-23-19(24-12-18,10-22-14-20-13-21-22)17-9-15-6-4-5-7-16(15)25-17/h4-7,9,13-14H,3,8,10-12H2,1-2H3"	"ITACZRXGTMPYNT-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98519-35-8"	"DTXSID30243620"	"1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-4,4,6-trimethyl-1,3-dioxan-2-yl)methyl)-, trans-"	"EPA_DSSTox"	"CC1(C)CC(C)OC(CN2C=NC=N2)(O1)C1=CC2=CC=CC=C2O1"	"?"	"InChI=1S/C18H21N3O3/c1-13-9-17(2,3)24-18(23-13,10-21-12-19-11-20-21)16-8-14-6-4-5-7-15(14)22-16/h4-8,11-13H,9-10H2,1-3H3"	"JQTASVIHJNIOAT-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98519-37-0"	NA	NA	"Public_CrossChecked"	"CCC1(COC(CN2C=NC=N2)(OC1)C1=CC2C=CC=CC=2O1)CCCC"	"?"	"InChI=1S/C21H27N3O3/c1-3-5-10-20(4-2)13-25-21(26-14-20,12-24-16-22-15-23-24)19-11-17-8-6-7-9-18(17)27-19/h6-9,11,15-16H,3-5,10,12-14H2,1-2H3"	"ZIBLQCIVFVPAHQ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98519-38-1"	"DTXSID90243621"	"1,3-Dioxolane-4-methanol, 2-(2-benzofuranyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-, trans-"	"EPA_DSSTox"	"OCC1COC(CN2C=NC=N2)(O1)C1=CC2=CC=CC=C2O1"	"?"	"InChI=1S/C15H15N3O4/c19-6-12-7-20-15(22-12,8-18-10-16-9-17-18)14-5-11-3-1-2-4-13(11)21-14/h1-5,9-10,12,19H,6-8H2"	"ZHZAXCRDSDIEFS-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98519-41-6"	"DTXSID10243623"	"1H-1,2,4-Triazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-4-((1-methylethoxy)methyl)-1,3-dioxolan-2-yl)methyl)-, trans-"	"EPA_DSSTox"	"CC(C)OCC1COC(CN2C=NC=N2)(O1)C1=CC2C=C(Cl)C=C(Cl)C=2O1"	"?"	"InChI=1S/C18H19Cl2N3O4/c1-11(2)24-6-14-7-25-18(27-14,8-23-10-21-9-22-23)16-4-12-3-13(19)5-15(20)17(12)26-16/h3-5,9-11,14H,6-8H2,1-2H3"	"PFQLAQNAMIUSTM-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98519-43-8"	"DTXSID70243624"	"1H-1,2,4-Triazole, 1-((2-(5-chloro-2-benzofuranyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-, trans-"	"EPA_DSSTox"	"CCC1COC(CN2C=NC=N2)(O1)C1=CC2C=C(Cl)C=CC=2O1"	"?"	"InChI=1S/C16H16ClN3O3/c1-2-13-7-21-16(23-13,8-20-10-18-9-19-20)15-6-11-5-12(17)3-4-14(11)22-15/h3-6,9-10,13H,2,7-8H2,1H3"	"GKGMLPKHSHONGE-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98519-44-9"	"DTXSID30243625"	"1H-Imidazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-, trans-"	"EPA_DSSTox"	"CCC1COC(CN2C=NC=C2)(O1)C1=CC2C=C(Cl)C=C(Cl)C=2O1"	"?"	"InChI=1S/C17H16Cl2N2O3/c1-2-13-8-22-17(24-13,9-21-4-3-20-10-21)15-6-11-5-12(18)7-14(19)16(11)23-15/h3-7,10,13H,2,8-9H2,1H3"	"OWMRUOBQCRCMEL-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98519-46-1"	"DTXSID50243627"	"1H-Imidazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-4-(ethoxymethyl)-1,3-dioxolan-2-yl)methyl)-, trans-"	"EPA_DSSTox"	"CCOCC1COC(CN2C=NC=C2)(O1)C1=CC2C=C(Cl)C=C(Cl)C=2O1"	"?"	"InChI=1S/C18H18Cl2N2O4/c1-2-23-8-14-9-24-18(26-14,10-22-4-3-21-11-22)16-6-12-5-13(19)7-15(20)17(12)25-16/h3-7,11,14H,2,8-10H2,1H3"	"KHGOTKDBPDRJOL-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98519-47-2"	"DTXSID10243628"	"1H-Imidazole, 1-((2-(2-benzofuranyl)-4-(methoxymethyl)-1,3-dioxolan-2-yl)methyl)-, trans-"	"EPA_DSSTox"	"COCC1COC(CN2C=NC=C2)(O1)C1=CC2=CC=CC=C2O1"	"?"	"InChI=1S/C17H18N2O4/c1-20-9-14-10-21-17(23-14,11-19-7-6-18-12-19)16-8-13-4-2-3-5-15(13)22-16/h2-8,12,14H,9-11H2,1H3"	"LUPHMOQPQABUQS-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98519-48-3"	"DTXSID70243629"	"1H-Imidazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-4-(methoxymethyl)-1,3-dioxolan-2-yl)methyl)-, trans-"	"EPA_DSSTox"	"COCC1COC(CN2C=NC=C2)(O1)C1=CC2C=C(Cl)C=C(Cl)C=2O1"	"?"	"InChI=1S/C17H16Cl2N2O4/c1-22-7-13-8-23-17(25-13,9-21-3-2-20-10-21)15-5-11-4-12(18)6-14(19)16(11)24-15/h2-6,10,13H,7-9H2,1H3"	"YNWTXWKEWMYHHW-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98532-64-0"	NA	NA	"Public_CrossChecked"	"COCC1COC(CN2C=NC=N2)(O1)C1=CC2C=CC=CC=2O1"	"?"	"InChI=1S/C16H17N3O4/c1-20-7-13-8-21-16(23-13,9-19-11-17-10-18-19)15-6-12-4-2-3-5-14(12)22-15/h2-6,10-11,13H,7-9H2,1H3"	"XGKPDTIWHMXLPQ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98532-65-1"	"DTXSID80243635"	"1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-1,3-dioxolan-2-yl)methyl)-"	"EPA_DSSTox"	"C(N1C=NC=N1)C1(OCCO1)C1=CC2=CC=CC=C2O1"	"?"	"InChI=1S/C14H13N3O3/c1-2-4-12-11(3-1)7-13(20-12)14(18-5-6-19-14)8-17-10-15-9-16-17/h1-4,7,9-10H,5-6,8H2"	"WJXMCVUDLYYCHQ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98532-66-2"	NA	NA	"Public_CrossChecked"	"CCC1COC(CN2C=NC=N2)(O1)C1=CC2C=C(Cl)C=C(Cl)C=2O1"	"?"	"InChI=1S/C16H15Cl2N3O3/c1-2-12-6-22-16(24-12,7-21-9-19-8-20-21)14-4-10-3-11(17)5-13(18)15(10)23-14/h3-5,8-9,12H,2,6-7H2,1H3"	"QFEMPCGCIHFAAX-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98532-68-4"	NA	NA	"Public_CrossChecked"	"CC1COC(CN2C=NC=N2)(O1)C1=CC2C=C(Cl)C=C(Cl)C=2O1"	"?"	"InChI=1S/C15H13Cl2N3O3/c1-9-5-21-15(23-9,6-20-8-18-7-19-20)13-3-10-2-11(16)4-12(17)14(10)22-13/h2-4,7-9H,5-6H2,1H3"	"WWNAUNMOERXNGG-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98532-69-5"	"DTXSID00243637"	"1H-1,2,4-Triazole, 1-((2-(5,7-dimethoxy-2-benzofuranyl)-1,3-dioxolan-2-yl)methyl)-"	"EPA_DSSTox"	"COC1=CC(OC)=C2OC(=CC2=C1)C1(CN2C=NC=N2)OCCO1"	"?"	"InChI=1S/C16H17N3O5/c1-20-12-5-11-6-14(24-15(11)13(7-12)21-2)16(22-3-4-23-16)8-19-10-17-9-18-19/h5-7,9-10H,3-4,8H2,1-2H3"	"MARZMUKQVNRKLD-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98532-70-8"	NA	NA	"Public_CrossChecked"	"COCC1COC(CN2C=NC=N2)(O1)C1=CC2C=C(Cl)C=C(Cl)C=2O1"	"?"	"InChI=1S/C16H15Cl2N3O4/c1-22-5-12-6-23-16(25-12,7-21-9-19-8-20-21)14-3-10-2-11(17)4-13(18)15(10)24-14/h2-4,8-9,12H,5-7H2,1H3"	"BYXWBCUXPQKHSC-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98532-72-0"	NA	NA	"Public_CrossChecked"	"C(N1C=NC=N1)C1(OC(CO1)COC1C=CC=CC=1)C1=CC2C=CC=CC=2O1"	"?"	"InChI=1S/C21H19N3O4/c1-2-7-17(8-3-1)25-11-18-12-26-21(28-18,13-24-15-22-14-23-24)20-10-16-6-4-5-9-19(16)27-20/h1-10,14-15,18H,11-13H2"	"KFXMFRPCEMAZEC-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98532-73-1"	NA	NA	"Public_CrossChecked"	"CCOCC1COC(CN2C=NC=N2)(O1)C1=CC2C=C(Cl)C=C(Cl)C=2O1"	"?"	"InChI=1S/C17H17Cl2N3O4/c1-2-23-6-13-7-24-17(26-13,8-22-10-20-9-21-22)15-4-11-3-12(18)5-14(19)16(11)25-15/h3-5,9-10,13H,2,6-8H2,1H3"	"QASDENMPAIDIOJ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98532-74-2"	NA	NA	"Public_CrossChecked"	"CC1OC(CN2C=NC=N2)(OC1C)C1=CC2C=CC=CC=2O1"	"?"	"InChI=1S/C16H17N3O3/c1-11-12(2)22-16(21-11,8-19-10-17-9-18-19)15-7-13-5-3-4-6-14(13)20-15/h3-7,9-12H,8H2,1-2H3"	"SZOGXYNIMJKAKT-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98532-76-4"	"DTXSID20243639"	"1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5,5-dimethyl-1,3-dioxan-2-yl)methyl)-, mononitrate"	"EPA_DSSTox"	"CC1(C)COC(CN2C=NC=N2)(OC1)C1=CC2=CC=CC=C2O1"	"O[N+]([O-])=O"	"InChI=1S/C17H19N3O3/c1-16(2)9-21-17(22-10-16,8-20-12-18-11-19-20)15-7-13-5-3-4-6-14(13)23-15/h3-7,11-12H,8-10H2,1-2H3"	"BDTUYKOVRKTPEU-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98532-77-5"	"DTXSID30243640"	"1H-1,2,4-Triazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-5,5-dimethyl-1,3-dioxan-2-yl)methyl)-"	"EPA_DSSTox"	"CC1(C)COC(CN2C=NC=N2)(OC1)C1=CC2C=C(Cl)C=C(Cl)C=2O1"	"?"	"InChI=1S/C17H17Cl2N3O3/c1-16(2)7-23-17(24-8-16,6-22-10-20-9-21-22)14-4-11-3-12(18)5-13(19)15(11)25-14/h3-5,9-10H,6-8H2,1-2H3"	"FPURNXYCHFHEAQ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98532-78-6"	NA	NA	"Public_CrossChecked"	"CC1(COC(CN2C=NC=N2)(OC1)C1=CC2C=CC=CC=2O1)CC"	"?"	"InChI=1S/C18H21N3O3/c1-3-17(2)10-22-18(23-11-17,9-21-13-19-12-20-21)16-8-14-6-4-5-7-15(14)24-16/h4-8,12-13H,3,9-11H2,1-2H3"	"QBIZYLGKEYAQGW-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98532-80-0"	NA	NA	"Public_CrossChecked"	"CC1(C)COC(CN2C=NC=N2)(OC1CCC)C1=CC2C=CC=CC=2O1"	"?"	"InChI=1S/C20H25N3O3/c1-4-7-17-19(2,3)12-24-20(26-17,11-23-14-21-13-22-23)18-10-15-8-5-6-9-16(15)25-18/h5-6,8-10,13-14,17H,4,7,11-12H2,1-3H3"	"XLCJQVYEZGZAEK-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98532-81-1"	"DTXSID90243641"	"1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5,5-diethyl-1,3-dioxan-2-yl)methyl)-"	"EPA_DSSTox"	"CCC1(COC(CN2C=NC=N2)(OC1)C1=CC2=CC=CC=C2O1)CC"	"?"	"InChI=1S/C19H23N3O3/c1-3-18(4-2)11-23-19(24-12-18,10-22-14-20-13-21-22)17-9-15-7-5-6-8-16(15)25-17/h5-9,13-14H,3-4,10-12H2,1-2H3"	"WGJBHZHZDFHDRV-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98532-82-2"	NA	NA	"Public_CrossChecked"	"CC1(C)CC(C)OC(CN2C=NC=N2)(O1)C1=CC2C=CC=CC=2O1"	"?"	"InChI=1S/C18H21N3O3/c1-13-9-17(2,3)24-18(23-13,10-21-12-19-11-20-21)16-8-14-6-4-5-7-15(14)22-16/h4-8,11-13H,9-10H2,1-3H3"	"JQTASVIHJNIOAT-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98532-84-4"	NA	NA	"Public_CrossChecked"	"CCC1(COC(CN2C=NC=N2)(OC1)C1=CC2C=CC=CC=2O1)CCCC"	"?"	"InChI=1S/C21H27N3O3/c1-3-5-10-20(4-2)13-25-21(26-14-20,12-24-16-22-15-23-24)19-11-17-8-6-7-9-18(17)27-19/h6-9,11,15-16H,3-5,10,12-14H2,1-2H3"	"ZIBLQCIVFVPAHQ-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98532-85-5"	NA	NA	"Public_CrossChecked"	"CCC1COC(CN2C=NC=N2)(OC1CCC)C1=CC2C=CC=CC=2O1"	"?"	"InChI=1S/C20H25N3O3/c1-3-7-18-15(4-2)11-24-20(26-18,12-23-14-21-13-22-23)19-10-16-8-5-6-9-17(16)25-19/h5-6,8-10,13-15,18H,3-4,7,11-12H2,1-2H3"	"FDNGXABDLKHFPU-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98532-86-6"	"DTXSID10243643"	"1H-Imidazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-4-(methoxymethyl)-1,3-dioxolan-2-yl)methyl)-, cis-"	"EPA_DSSTox"	"COCC1COC(CN2C=NC=C2)(O1)C1=CC2C=C(Cl)C=C(Cl)C=2O1"	"?"	"InChI=1S/C17H16Cl2N2O4/c1-22-7-13-8-23-17(25-13,9-21-3-2-20-10-21)15-5-11-4-12(18)6-14(19)16(11)24-15/h2-6,10,13H,7-9H2,1H3"	"YNWTXWKEWMYHHW-UHFFFAOYSA-N"	FALSE	FALSE	NA	3	4
"98565-18-5"	"DTXSID9073751"	"Phosphonic acid, [[[2-[methyl(methylsulfonyl)amino]-2-oxoethyl]amino]methyl]-"	"EPA_DSSTox"	"CN(C(=O)CNCP(O)(O)=O)S(C)(=O)=O"	"?"	"InChI=1S/C5H13N2O6PS/c1-7(15(2,12)13)5(8)3-6-4-14(9,10)11/h6H,3-4H2,1-2H3,(H2,9,10,11)"	"HPDFFWOTIYEPLZ-UHFFFAOYSA-N"	TRUE	FALSE	NA	1	2
"98617-19-7"	"DTXSID40243737"	"1H-Pyrrole-2-acetamide, 1-methyl-5-(4-methylbenzoyl)-N-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)-"	"EPA_DSSTox"	"CC1C=CC(=CC=1)C(=O)C1=CC=C(CC(=O)NCCN2C=NC3=C2C(=O)N(C)C(=O)N3C)N1C"	"?"	"InChI=1S/C24H26N6O4/c1-15-5-7-16(8-6-15)21(32)18-10-9-17(27(18)2)13-19(31)25-11-12-30-14-26-22-20(30)23(33)29(4)24(34)28(22)3/h5-10,14H,11-13H2,1-4H3,(H,25,31)"	"BPVFPRBOEPFKIX-UHFFFAOYSA-N"	FALSE	FALSE	1200	3	4
"987-78-0"	"DTXSID9048431"	"Citicoline"	"EPA_DSSTox"	"C[N+](C)(C)CCOP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1O)N1C=CC(N)=NC1=O"	"?"	"InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/p+1"	"RZZPDXZPRHQOCG-UHFFFAOYSA-O"	FALSE	TRUE	18501	4	5
"98730-04-2"	"DTXSID3029572"	"Benoxacor"	"EPA_DSSTox"	"CC1COC2C=CC=CC=2N1C(=O)C(Cl)Cl"	"?"	"InChI=1S/C11H11Cl2NO2/c1-7-6-16-9-5-3-2-4-8(9)14(7)11(15)10(12)13/h2-5,7,10H,6H2,1H3"	"PFJJMJDEVDLPNE-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"98753-19-6"	"DTXSID8046909"	"Cefpirome sulfate"	"EPA_DSSTox"	"CON=C(C1=CSC(N)=N1)C(=O)NC1C2SCC(C[N+]3C=CC=C4CCCC=34)=C(C(O)=O)N2C1=O"	"S(=O)(=O)(O)O"	"InChI=1S/C22H22N6O5S2/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32)/p+1"	"DKOQGJHPHLTOJR-UHFFFAOYSA-O"	FALSE	TRUE	NA	4	5
"98886-44-3"	"DTXSID0034930"	"Fosthiazate"	"EPA_DSSTox"	"CC(CC)SP(=O)(OCC)N1CCSC1=O"	"?"	"InChI=1S/C9H18NO3PS2/c1-4-8(3)16-14(12,13-5-2)10-6-7-15-9(10)11/h8H,4-7H2,1-3H3"	"DUFVKSUJRWYZQP-UHFFFAOYSA-N"	FALSE	FALSE	57	2	3
"98967-40-9"	"DTXSID4032615"	"Flumetsulam"	"EPA_DSSTox"	"CC1C=CN2N=C(N=C2N=1)S(=O)(=O)NC1C(F)=CC=CC=1F"	"?"	"InChI=1S/C12H9F2N5O2S/c1-7-5-6-19-11(15-7)16-12(17-19)22(20,21)18-10-8(13)3-2-4-9(10)14/h2-6,18H,1H3"	"RXCPQSJAVKGONC-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"99-03-6"	"DTXSID0021830"	"3-Aminoacetophenone"	"EPA_DSSTox"	"CC(=O)C1C=C(N)C=CC=1"	"?"	"InChI=1S/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3"	"CKQHAYFOPRIUOM-UHFFFAOYSA-N"	FALSE	FALSE	1870	3	4
"99-09-2"	"DTXSID6025725"	"3-Nitroaniline"	"EPA_DSSTox"	"NC1=CC(=CC=C1)[N+]([O-])=O"	"?"	"InChI=1S/C6H6N2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,7H2"	"XJCVRTZCHMZPBD-UHFFFAOYSA-N"	FALSE	FALSE	535	3	4
"99-11-6"	"DTXSID3059185"	"Citrazinic acid"	"EPA_DSSTox"	"OC(=O)C1C=C(O)NC(=O)C=1"	"?"	"InChI=1S/C6H5NO4/c8-4-1-3(6(10)11)2-5(9)7-4/h1-2H,(H,10,11)(H2,7,8,9)"	"CSGQJHQYWJLPKY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"99-35-4"	"DTXSID6021406"	"1,3,5-Trinitrobenzene"	"EPA_DSSTox"	"[O-][N+](=O)C1C=C(C=C(C=1)[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C6H3N3O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H"	"UATJOMSPNYCXIX-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"99-48-9"	"DTXSID3024736"	"Carveol"	"EPA_DSSTox"	"CC1=CCC(CC1O)C(C)=C"	"?"	"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3"	"BAVONGHXFVOKBV-UHFFFAOYSA-N"	FALSE	TRUE	3000	3	5
"99-49-0"	"DTXSID8047426"	"dl-Carvone"	"EPA_DSSTox"	"CC1=CCC(CC1=O)C(C)=C"	"?"	"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"	FALSE	FALSE	1640	3	4
"99-54-7"	"DTXSID8024999"	"3,4-Dichloronitrobenzene"	"EPA_DSSTox"	"[O-][N+](=O)C1C=C(Cl)C(Cl)=CC=1"	"?"	"InChI=1S/C6H3Cl2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H"	"NTBYINQTYWZXLH-UHFFFAOYSA-N"	FALSE	FALSE	625	3	4
"99-55-8"	"DTXSID4020959"	"2-Methyl-5-nitroaniline"	"EPA_DSSTox"	"CC1C=CC(=CC=1N)[N+]([O-])=O"	"?"	"InChI=1S/C7H8N2O2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,8H2,1H3"	"DSBIJCMXAIKKKI-UHFFFAOYSA-N"	FALSE	FALSE	574	3	4
"99-57-0"	"DTXSID6020062"	"2-Amino-4-nitrophenol"	"EPA_DSSTox"	"NC1C=C(C=CC=1O)[N+]([O-])=O"	"?"	"InChI=1S/C6H6N2O3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H,7H2"	"VLZVIIYRNMWPSN-UHFFFAOYSA-N"	FALSE	TRUE	2400	3	5
"99-59-2"	"DTXSID0020943"	"2-Methoxy-5-nitroaniline"	"EPA_DSSTox"	"COC1C=CC(=CC=1N)[N+]([O-])=O"	"?"	"InChI=1S/C7H8N2O3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,8H2,1H3"	"NIPDVSLAMPAWTP-UHFFFAOYSA-N"	FALSE	TRUE	2250	3	5
"99-67-2"	NA	NA	"Public_CrossChecked"	"C=CCC(CC=C)C(O)=O"	"?"	"InChI=1S/C8H12O2/c1-3-5-7(6-4-2)8(9)10/h3-4,7H,1-2,5-6H2,(H,9,10)"	"OKJQSUPURXTNME-UHFFFAOYSA-N"	FALSE	FALSE	570	3	4
"99-71-8"	"DTXSID7022332"	"4-(Butan-2-yl)phenol"	"EPA_DSSTox"	"CC(CC)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C10H14O/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8,11H,3H2,1-2H3"	"ZUTYZAFDFLLILI-UHFFFAOYSA-N"	FALSE	TRUE	2450	3	5
"99-75-2"	"DTXSID4025668"	"Methyl 4-methylbenzoate"	"EPA_DSSTox"	"CC1C=CC(=CC=1)C(=O)OC"	"?"	"InChI=1S/C9H10O2/c1-7-3-5-8(6-4-7)9(10)11-2/h3-6H,1-2H3"	"QSSJZLPUHJDYKF-UHFFFAOYSA-N"	FALSE	TRUE	3300	3	5
"99-76-3"	"DTXSID4022529"	"Methylparaben"	"EPA_DSSTox"	"COC(=O)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3"	"LXCFILQKKLGQFO-UHFFFAOYSA-N"	FALSE	TRUE	2100	3	5
"99-77-4"	"DTXSID1052666"	"Ethyl 4-nitrobenzoate"	"EPA_DSSTox"	"CCOC(=O)C1=CC=C(C=C1)[N+]([O-])=O"	"?"	"InChI=1S/C9H9NO4/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3"	"PHWSCBWNPZDYRI-UHFFFAOYSA-N"	FALSE	TRUE	2660	3	5
"99-79-6"	"DTXSID2052869"	"p-Iophendylate"	"EPA_DSSTox"	"CCOC(=O)CCCCCCCCC(C)C1C=CC(I)=CC=1"	"?"	"InChI=1S/C19H29IO2/c1-3-22-19(21)11-9-7-5-4-6-8-10-16(2)17-12-14-18(20)15-13-17/h12-16H,3-11H2,1-2H3"	"LAYLQVBQIBQVLL-UHFFFAOYSA-N"	FALSE	TRUE	2100	3	5
"99-80-9"	"DTXSID3020839"	"N-Methyl-N,4-dinitrosoaniline"	"EPA_DSSTox"	"CN(N=O)C1C=CC(=CC=1)N=O"	"?"	"InChI=1S/C7H7N3O2/c1-10(9-12)7-4-2-6(8-11)3-5-7/h2-5H,1H3"	"FMGUJLASXUBMOP-UHFFFAOYSA-N"	FALSE	FALSE	1370	3	4
"99-82-1"	"DTXSID9025530"	"p-Menthane"	"EPA_DSSTox"	"CC(C)C1CCC(C)CC1"	"?"	"InChI=1S/C10H20/c1-8(2)10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H3"	"CFJYNSNXFXLKNS-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"99-86-5"	"DTXSID9041237"	"alpha-Terpinene"	"EPA_DSSTox"	"CC1CCC(=CC=1)C(C)C"	"?"	"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3"	"YHQGMYUVUMAZJR-UHFFFAOYSA-N"	FALSE	FALSE	1680	3	4
"99-87-6"	"DTXSID3026645"	"p-Cymene"	"EPA_DSSTox"	"CC1C=CC(=CC=1)C(C)C"	"?"	"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3"	"HFPZCAJZSCWRBC-UHFFFAOYSA-N"	FALSE	TRUE	4750	3	5
"99-96-7"	"DTXSID3026647"	"4-Hydroxybenzoic acid"	"EPA_DSSTox"	"OC1C=CC(=CC=1)C(O)=O"	"?"	"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)"	"FJKROLUGYXJWQN-UHFFFAOYSA-N"	FALSE	TRUE	5001	4	5
"99-97-8"	"DTXSID0021832"	"N,N,4-Trimethylaniline"	"EPA_DSSTox"	"CC1C=CC(=CC=1)N(C)C"	"?"	"InChI=1S/C9H13N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1-3H3"	"GYVGXEWAOAAJEU-UHFFFAOYSA-N"	FALSE	FALSE	1650	3	4
"99-98-9"	"DTXSID6025149"	"N,N-Dimethyl-p-phenylenediamine"	"EPA_DSSTox"	"CN(C)C1C=CC(N)=CC=1"	"?"	"InChI=1S/C8H12N2/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3"	"BZORFPDSXLZWJF-UHFFFAOYSA-N"	TRUE	FALSE	50	1	2
"99-99-0"	"DTXSID5023792"	"4-Nitrotoluene"	"EPA_DSSTox"	"CC1=CC=C(C=C1)[N+]([O-])=O"	"?"	"InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3"	"ZPTVNYMJQHSSEA-UHFFFAOYSA-N"	FALSE	TRUE	2050	3	5
"990-73-8"	"DTXSID80243933"	"Fentanyl citrate"	"EPA_DSSTox"	"CCC(=O)N(C1CCN(CCC2C=CC=CC=2)CC1)C1C=CC=CC=1"	"OC(CC(O)=O)(CC(O)=O)C(O)=O"	"InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3"	"PJMPHNIQZUBGLI-UHFFFAOYSA-N"	TRUE	FALSE	18	1	2
"991-42-4"	"DTXSID8042216"	"Norbormide"	"EPA_DSSTox"	"OC(C1=CC=CC=N1)(C1=CC2C3C(C1C2=C(C1C=CC=CN=1)C1C=CC=CC=1)C(=O)NC3=O)C1C=CC=CC=1"	"?"	"InChI=1S/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)"	"DNTHHIVFNQZZRD-UHFFFAOYSA-N"	TRUE	FALSE	3.8	1	1
"99189-60-3"	"DTXSID70349837"	"1,1-Cyclohexanediacetic acid monoamide"	"EPA_DSSTox"	"NC(=O)CC1(CC(O)=O)CCCCC1"	"?"	"InChI=1S/C10H17NO3/c11-8(12)6-10(7-9(13)14)4-2-1-3-5-10/h1-7H2,(H2,11,12)(H,13,14)"	"QJGSJXLCJRXTRY-UHFFFAOYSA-N"	FALSE	TRUE	NA	3	5
"99233-24-6"	"DTXSID00243995"	"Pyrazole-3-methanol, 4-chloro-alpha,alpha-diethyl-"	"EPA_DSSTox"	"CCC(O)(CC)C1NN=CC=1Cl"	"?"	"InChI=1S/C8H13ClN2O/c1-3-8(12,4-2)7-6(9)5-10-11-7/h5,12H,3-4H2,1-2H3,(H,10,11)"	"MOPPPDCERVKKOI-UHFFFAOYSA-N"	FALSE	FALSE	236	2	3
"99247-33-3"	NA	NA	"Public_CrossChecked"	"CCCN(CCC)C(=O)C(CCC(O)=O)NC(=O)C1C=CC=CC=1"	"[Na+]"	"InChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22)"	"DGMKFQYCZXERLX-UHFFFAOYSA-N"	FALSE	TRUE	8200	4	5
"99283-01-9"	"DTXSID3074949"	"Bensulfuron"	"EPA_DSSTox"	"COC1=CC(=NC(NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(O)=O)=N1)OC"	"?"	"InChI=1S/C15H16N4O7S/c1-25-11-7-12(26-2)17-14(16-11)18-15(22)19-27(23,24)8-9-5-3-4-6-10(9)13(20)21/h3-7H,8H2,1-2H3,(H,20,21)(H2,16,17,18,19,22)"	"PPWBRCCBKOWDNB-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"99291-25-5"	"DTXSID8023210"	"Levodropropizine"	"EPA_DSSTox"	"OCC(O)CN1CCN(CC1)C1C=CC=CC=1"	"?"	"InChI=1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2"	"PTVWPYVOOKLBCG-UHFFFAOYSA-N"	FALSE	FALSE	887	3	4
"99294-94-7"	"DTXSID60244029"	"Teriparatide acetate"	"EPA_DSSTox"	"[H]/N=C(\N)/NCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CCSC)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC1=CN=CN1)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(CO)NC(=O)C(NC(=O)C(N)CO)C(C)C)C(C)CC)C(=O)NC(C(C)C)C(=O)NC(CCC(O)=O)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC(CC(C)C)C(=O)NC(CCCN/C(/N)=N/[H])C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CC(O)=O)C(=O)NC(C(C)C)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC(N)=O)C(=O)NC(CC1C=CC=CC=1)C(O)=O"	"OC(=O)C"	"InChI=1S/C181H291N55O51S2/c1-21-96(18)146(236-160(267)114(48-53-141(250)251)212-174(281)132(84-239)232-177(284)143(93(12)13)233-147(254)103(185)82-237)178(285)216-111(45-50-134(187)241)155(262)219-119(65-90(6)7)163(270)213-116(55-62-289-20)158(265)224-124(71-100-79-196-86-203-100)167(274)226-126(73-135(188)242)169(276)217-117(63-88(2)3)148(255)201-81-138(245)205-105(39-27-30-56-182)149(256)223-123(70-99-78-195-85-202-99)166(273)221-121(67-92(10)11)164(271)225-128(75-137(190)244)171(278)231-131(83-238)173(280)214-115(54-61-288-19)157(264)210-112(46-51-139(246)247)153(260)208-109(43-34-60-199-181(193)194)159(266)234-144(94(14)15)175(282)215-113(47-52-140(248)249)156(263)222-122(69-98-77-200-104-38-26-25-37-102(98)104)165(272)220-120(66-91(8)9)161(268)209-108(42-33-59-198-180(191)192)151(258)206-106(40-28-31-57-183)150(257)207-107(41-29-32-58-184)152(259)218-118(64-89(4)5)162(269)211-110(44-49-133(186)240)154(261)228-129(76-142(252)253)172(279)235-145(95(16)17)176(283)229-125(72-101-80-197-87-204-101)168(275)227-127(74-136(189)243)170(277)230-130(179(286)287)68-97-35-23-22-24-36-97/h22-26,35-38,77-80,85-96,103,105-132,143-146,200,237-239H,21,27-34,39-76,81-84,182-185H2,1-20H3,(H2,186,240)(H2,187,241)(H2,188,242)(H2,189,243)(H2,190,244)(H,195,202)(H,196,203)(H,197,204)(H,201,255)(H,205,245)(H,206,258)(H,207,257)(H,208,260)(H,209,268)(H,210,264)(H,211,269)(H,212,281)(H,213,270)(H,214,280)(H,215,282)(H,216,285)(H,217,276)(H,218,259)(H,219,262)(H,220,272)(H,221,273)(H,222,263)(H,223,256)(H,224,265)(H,225,271)(H,226,274)(H,227,275)(H,228,261)(H,229,283)(H,230,277)(H,231,278)(H,232,284)(H,233,254)(H,234,266)(H,235,279)(H,236,267)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,286,287)(H4,191,192,198)(H4,193,194,199)"	"OGBMKVWORPGQRR-UHFFFAOYSA-N"	TRUE	FALSE	NA	1	2
"99300-58-0"	NA	NA	"Public_CrossChecked"	"[O-][N+](=O)C1C=C2COP(=S)(OC2=CC=1)N1CCOCC1"	"?"	"InChI=1S/C11H13N2O5PS/c14-13(15)10-1-2-11-9(7-10)8-17-19(20,18-11)12-3-5-16-6-4-12/h1-2,7H,3-6,8H2"	"MRIOYEWIJKSFMC-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"99300-59-1"	NA	NA	"Public_CrossChecked"	"[O-][N+](=O)C1C=C2COP(=S)(NC3CCCCC3)OC2=CC=1"	"?"	"InChI=1S/C13H17N2O4PS/c16-15(17)12-6-7-13-10(8-12)9-18-20(21,19-13)14-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,14,21)"	"RAIITXUYMWRBQD-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"99300-60-4"	NA	NA	"Public_CrossChecked"	"[O-][N+](=O)C1C=C2COP(=S)(OC2=CC=1)N1CCCC1"	"?"	"InChI=1S/C11H13N2O4PS/c14-13(15)10-3-4-11-9(7-10)8-16-18(19,17-11)12-5-1-2-6-12/h3-4,7H,1-2,5-6,8H2"	"BGXAXDXMYWQZSN-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"99300-62-6"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCCCCCCCCCNP1(=S)OCC2C=C(C=CC=2O1)[N+]([O-])=O"	"?"	"InChI=1S/C24H41N2O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-31(32)29-21-22-20-23(26(27)28)17-18-24(22)30-31/h17-18,20H,2-16,19,21H2,1H3,(H,25,32)"	"VVNDZSIUFLGYKT-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"99300-63-7"	NA	NA	"Public_CrossChecked"	"CC(C)NP1(=S)OCC2C=C(C=CC=2O1)[N+]([O-])=O"	"?"	"InChI=1S/C10H13N2O4PS/c1-7(2)11-17(18)15-6-8-5-9(12(13)14)3-4-10(8)16-17/h3-5,7H,6H2,1-2H3,(H,11,18)"	"BHMIEZASVUEXOJ-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"99300-64-8"	NA	NA	"Public_CrossChecked"	"CN(C)P1(=S)OCC2C=C(C=CC=2O1)[N+]([O-])=O"	"?"	"InChI=1S/C9H11N2O4PS/c1-10(2)16(17)14-6-7-5-8(11(12)13)3-4-9(7)15-16/h3-5H,6H2,1-2H3"	"CAXSOCSELKTOFO-UHFFFAOYSA-N"	FALSE	FALSE	125	2	3
"99313-47-0"	NA	NA	"Public_CrossChecked"	"CCCCCCCCCNP1(=S)OCC2C=C(C=CC=2O1)[N+]([O-])=O"	"?"	"InChI=1S/C16H25N2O4PS/c1-2-3-4-5-6-7-8-11-17-23(24)21-13-14-12-15(18(19)20)9-10-16(14)22-23/h9-10,12H,2-8,11,13H2,1H3,(H,17,24)"	"NUWUCZXYNLZSGN-UHFFFAOYSA-N"	FALSE	FALSE	NA	2	3
"99376-22-4"	NA	NA	"Public_CrossChecked"	"CC(=O)OCOC(=O)C1=C(COC(N)=O)SC2C(C(C)O)C(=O)N12"	"?"	"InChI=1S/C13H16N2O8S/c1-5(16)8-10(18)15-9(12(19)23-4-22-6(2)17)7(24-11(8)15)3-21-13(14)20/h5,8,11,16H,3-4H2,1-2H3,(H2,14,20)"	"FZKGLCPKPZBGLX-UHFFFAOYSA-N"	FALSE	TRUE	7230	4	5
"994-05-8"	"DTXSID8024521"	"tert-Amyl methyl ether"	"EPA_DSSTox"	"CCC(C)(C)OC"	"?"	"InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3"	"HVZJRWJGKQPSFL-UHFFFAOYSA-N"	FALSE	FALSE	1602	3	4
"99522-79-9"	"DTXSID00875518"	"PRANIDIPINE"	"EPA_DSSTox"	"COC(=O)C1C(C(C(=O)OCC=CC2C=CC=CC=2)=C(C)N=C1C)C1=CC(=CC=C1)[N+]([O-])=O"	"?"	"InChI=1S/C25H24N2O6/c1-16-21(24(28)32-3)23(19-12-7-13-20(15-19)27(30)31)22(17(2)26-16)25(29)33-14-8-11-18-9-5-4-6-10-18/h4-13,15,21,23H,14H2,1-3H3"	"BTOSRYCUFZLVHX-UHFFFAOYSA-N"	FALSE	TRUE	2968	3	5
"99559-84-9"	"DTXSID30244132"	"Phosphorodithioic acid, O-methyl S,S-bis(1-methylethyl) ester"	"EPA_DSSTox"	"COP(=O)(SC(C)C)SC(C)C"	"?"	"InChI=1S/C7H17O2PS2/c1-6(2)11-10(8,9-5)12-7(3)4/h6-7H,1-5H3"	"HHFGBTPFKQMYEB-UHFFFAOYSA-N"	FALSE	FALSE	119	2	3
"99591-74-9"	"DTXSID60469235"	"1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide"	"EPA_DSSTox"	"O=S1(=O)CS(=O)(=O)OCO1"	"?"	"InChI=1S/C2H4O6S2/c3-9(4)2-10(5,6)8-1-7-9/h1-2H2"	"GWAOOGWHPITOEY-UHFFFAOYSA-N"	FALSE	FALSE	300	2	4
"99599-74-3"	NA	NA	"Public_CrossChecked"	"CC1(C)CC2(NC(=O)N(CCCN3CCC(O)CC3)C2=O)C2C=C(F)C=CC=2O1"	"?"	"InChI=1S/C21H28FN3O4/c1-20(2)13-21(16-12-14(22)4-5-17(16)29-20)18(27)25(19(28)23-21)9-3-8-24-10-6-15(26)7-11-24/h4-5,12,15,26H,3,6-11,13H2,1-2H3,(H,23,28)"	"PJHXQSZJHGJZCC-UHFFFAOYSA-N"	FALSE	FALSE	780	3	4
"99599-78-7"	NA	NA	"Public_CrossChecked"	"CC1(C)CC2(NC(=O)N(CCCN3CCC(O)CC3)C2=O)C2C=C(Cl)C=CC=2O1"	"?"	"InChI=1S/C21H28ClN3O4/c1-20(2)13-21(16-12-14(22)4-5-17(16)29-20)18(27)25(19(28)23-21)9-3-8-24-10-6-15(26)7-11-24/h4-5,12,15,26H,3,6-11,13H2,1-2H3,(H,23,28)"	"VDDQRGRMFUGJDD-UHFFFAOYSA-N"	FALSE	FALSE	858	3	4
"996-04-3"	"DTXSID70244151"	"Phosphonodithioic acid, methyl-, S,S-dipropyl ester"	"EPA_DSSTox"	"CP(=O)(SCCC)SCCC"	"?"	"InChI=1S/C7H17OPS2/c1-4-6-10-9(3,8)11-7-5-2/h4-7H2,1-3H3"	"OSYTXYVCVORGKQ-UHFFFAOYSA-N"	TRUE	FALSE	1.78	1	1
"996-05-4"	"DTXSID30244152"	"Phosphonotrithioic acid, methyl-, dipropyl ester"	"EPA_DSSTox"	"CP(=S)(SCCC)SCCC"	"?"	"InChI=1S/C7H17PS3/c1-4-6-10-8(3,9)11-7-5-2/h4-7H2,1-3H3"	"ZDUNRJQMFZIUCR-UHFFFAOYSA-N"	TRUE	FALSE	18	1	2
"996-35-0"	"DTXSID2033447"	"Dimethylisopropylamine"	"EPA_DSSTox"	"CC(C)N(C)C"	"?"	"InChI=1S/C5H13N/c1-5(2)6(3)4/h5H,1-4H3"	"VMOWKUTXPNPTEN-UHFFFAOYSA-N"	FALSE	FALSE	684	3	4
"99607-70-2"	"DTXSID3041794"	"Cloquintocet-mexyl"	"EPA_DSSTox"	"CCCCCC(C)OC(=O)COC1C=CC(Cl)=C2C=CC=NC=12"	"?"	"InChI=1S/C18H22ClNO3/c1-3-4-5-7-13(2)23-17(21)12-22-16-10-9-15(19)14-8-6-11-20-18(14)16/h6,8-11,13H,3-5,7,12H2,1-2H3"	"COYBRKAVBMYYSF-UHFFFAOYSA-N"	FALSE	FALSE	1098	3	4
"99784-08-4"	NA	NA	"Public_CrossChecked"	"COC1C=CC(=CC=1O)C1COC2C=CC=CC=2O1"	"?"	"InChI=1S/C15H14O4/c1-17-12-7-6-10(8-11(12)16)15-9-18-13-4-2-3-5-14(13)19-15/h2-8,15-16H,9H2,1H3"	"OBZRQUBQVYFPPH-UHFFFAOYSA-N"	FALSE	TRUE	NA	4	5
"998-30-1"	"DTXSID6052667"	"Triethoxysilane"	"EPA_DSSTox"	"CCO[SiH](OCC)OCC"	"?"	"InChI=1S/C6H16O3Si/c1-4-7-10(8-5-2)9-6-3/h10H,4-6H2,1-3H3"	"QQQSFSZALRVCSZ-UHFFFAOYSA-N"	FALSE	NA	NA	3	NA
"998-40-3"	"DTXSID9046998"	"Tributylphosphine"	"EPA_DSSTox"	"CCCCP(CCCC)CCCC"	"?"	"InChI=1S/C12H27P/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3"	"TUQOTMZNTHZOKS-UHFFFAOYSA-N"	FALSE	FALSE	750	3	4
"99874-01-8"	"DTXSID60244281"	"L-Cysteine, N-(2-mercapto-2-methyl-1-oxopropyl)-, sodium salt"	"EPA_DSSTox"	"CC(C)(S)C(=O)NC(CS)C(O)=O"	"[Na+]"	"InChI=1S/C7H13NO3S2/c1-7(2,13)6(11)8-4(3-12)5(9)10/h4,12-13H,3H2,1-2H3,(H,8,11)(H,9,10)"	"VUAFHZCUKUDDBC-UHFFFAOYSA-N"	FALSE	TRUE	5220	4	5
"999-01-9"	"DTXSID0073245"	"Phosphonothioic acid, O,O-diethyl ester"	"EPA_DSSTox"	"CCOP(=S)OCC"	"?"	"InChI=1S/C4H11O2PS/c1-3-5-7(8)6-4-2/h7H,3-4H2,1-2H3"	"KZRRLRUEAGCJRA-UHFFFAOYSA-N"	FALSE	FALSE	200	2	3
"999-34-8"	"DTXSID80244288"	"Phosphonodithious acid, methyl-, dipropyl ester"	"EPA_DSSTox"	"CP(SCCC)SCCC"	"?"	"InChI=1S/C7H17PS2/c1-4-6-9-8(3)10-7-5-2/h4-7H2,1-3H3"	"HKDYILGABRVNTF-UHFFFAOYSA-N"	TRUE	FALSE	2.24	1	1
"999-61-1"	"DTXSID0022143"	"2-Hydroxypropyl acrylate"	"EPA_DSSTox"	"CC(O)COC(=O)C=C"	"?"	"InChI=1S/C6H10O3/c1-3-6(8)9-4-5(2)7/h3,5,7H,1,4H2,2H3"	"GWZMWHWAWHPNHN-UHFFFAOYSA-N"	FALSE	FALSE	250	2	3
"999-81-5"	"DTXSID6020303"	"Chlormequat chloride"	"EPA_DSSTox"	"C[N+](C)(C)CCCl"	"[Cl-]"	"InChI=1S/C5H13ClN/c1-7(2,3)5-4-6/h4-5H2,1-3H3/q+1"	"JUZXDNPBRPUIOR-UHFFFAOYSA-N"	FALSE	FALSE	600	3	4
"999-97-3"	"DTXSID2025395"	"Hexamethyldisilazane"	"EPA_DSSTox"	"C[Si](C)(C)N[Si](C)(C)C"	"?"	"InChI=1S/C6H19NSi2/c1-8(2,3)7-9(4,5)6/h7H,1-6H3"	"FFUAGWLWBBFQJT-UHFFFAOYSA-N"	FALSE	FALSE	847	3	4