"RowID"	"CASRN"	"DTXSID"	"Name"	"Structure_Source"	"SMILES_Original"	"Canonical_QSARr"	"Salt_Solvent"	"InChI_Code_QSARr"	"InChI Key_QSARr"	"LD50_mgkg"	"EPA_category"	"GHS_category"	"very_toxic"	"nontoxic"
"1001"	"130209-82-4"	"DTXSID1041057"	"Latanoprost"	"EPA_DSSTox"	"CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCC1=CC=CC=C1"	"CC(C)OC(=O)CCCC=CCC1C(O)CC(O)C1CCC(O)CCC1=CC=CC=C1"	"?"	"InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3"	"GGXICVAJURFBLW-UHFFFAOYSA-N"		"1"	"1"	"TRUE"	"FALSE"
"1002"	"123253-00-9"	"DTXSID10153915"	"2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 6-chloro-2-methyl-N-(2-pyridinyl)-4-(2-pyridinylamino)-, 1,1-dioxide"	"EPA_DSSTox"	"CN1C(C(=O)NC2=CC=CC=N2)=C(NC2=CC=CC=N2)C2=C(C=C(Cl)S2)S1(=O)=O"	"CN1C(=C(NC2C=CC=CN=2)C2SC(Cl)=CC=2S1(=O)=O)C(=O)NC1C=CC=CN=1"	"?"	"InChI=1S/C18H14ClN5O3S2/c1-24-16(18(25)23-14-7-3-5-9-21-14)15(22-13-6-2-4-8-20-13)17-11(29(24,26)27)10-12(19)28-17/h2-10H,1H3,(H,20,22)(H,21,23,25)"	"WMANCVNHWLMOGE-UHFFFAOYSA-N"		"1"	"2"	"TRUE"	"FALSE"
"1003"	"123253-04-3"	"DTXSID90153918"	"Propanoic acid, 2,2-dimethyl-, 2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide"	"EPA_DSSTox"	"CN1C(C(=O)NC2=CC=CC=N2)=C(OC(=O)C(C)(C)C)C2=C(C=CS2)S1(=O)=O"	"CN1C(=C(OC(=O)C(C)(C)C)C2SC=CC=2S1(=O)=O)C(=O)NC1C=CC=CN=1"	"?"	"InChI=1S/C18H19N3O5S2/c1-18(2,3)17(23)26-14-13(16(22)20-12-7-5-6-9-19-12)21(4)28(24,25)11-8-10-27-15(11)14/h5-10H,1-4H3,(H,19,20,22)"	"TWGBQNRSOGHBMD-UHFFFAOYSA-N"		"1"	"2"	"TRUE"	"FALSE"
"1004"	"14255-87-9"	"DTXSID0045410"	"Parbendazole"	"EPA_DSSTox"	"CCCCC1=CC2=C(NC(NC(=O)OC)=N2)C=C1"	"CCCCC1=CC2N=C(NC=2C=C1)NC(=O)OC"	"?"	"InChI=1S/C13H17N3O2/c1-3-4-5-9-6-7-10-11(8-9)15-12(14-10)16-13(17)18-2/h6-8H,3-5H2,1-2H3,(H2,14,15,16,17)"	"YRWLZFXJFBZBEY-UHFFFAOYSA-N"		"1"	"2"	"TRUE"	"FALSE"
"1005"	"50-56-6"	"DTXSID8048361"	"Oxytocin"	"EPA_DSSTox"	"CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O"	"CC(C)CC(NC(=O)C1CCCN1C(=O)C1CSSCC(N)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)NC(C(C)CC)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)N1)C(=O)NCC(N)=O"	"?"	"InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)"	"XNOPRXBHLZRZKH-UHFFFAOYSA-N"		"1"	"2"	"TRUE"	"FALSE"
"1006"	"93739-45-8"	"DTXSID40239559"	"Ro 17-6661"	"EPA_DSSTox"	"CN1C(C(=O)NC2=NC=C(O)C=C2)=C(O)C2=C(C=CS2)S1(=O)=O"	"CN1C(C(=O)NC2=CC=C(O)C=N2)=C(O)C2SC=CC=2S1(=O)=O"	"?"	"InChI=1S/C13H11N3O5S2/c1-16-10(13(19)15-9-3-2-7(17)6-14-9)11(18)12-8(4-5-22-12)23(16,20)21/h2-6,17-18H,1H3,(H,14,15,19)"	"VJMIVXXTLGMNIX-UHFFFAOYSA-N"		"1"	"2"	"TRUE"	"FALSE"
"1007"	"104902-33-2"	"DTXSID20146818"	"1,8-Naphthyridin-2(1H)-one, 3-methyl-1-(3-(trifluoromethyl)phenyl)-"	"EPA_DSSTox"	"CC1=CC2=C(N=CC=C2)N(C2=CC=CC(=C2)C(F)(F)F)C1=O"	"CC1=CC2C=CC=NC=2N(C1=O)C1C=C(C=CC=1)C(F)(F)F"	"?"	"InChI=1S/C16H11F3N2O/c1-10-8-11-4-3-7-20-14(11)21(15(10)22)13-6-2-5-12(9-13)16(17,18)19/h2-9H,1H3"	"TUYYQWHGLSNMRK-UHFFFAOYSA-N"		"2"	"3"	"FALSE"	"FALSE"
"1008"	"11024-24-1"	"DTXSID1025065"	"Digitonin"	"EPA_DSSTox"	"C[C@H]1[C@H]2[C@@H](O[C@]11CC[C@@H](C)CO1)[C@@H](O)[C@H]1[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]21C"	"CC1COC2(CC1)OC1C(C2C)C2(C)CCC3C(CCC4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)C5O)C(O)CC43C)C2C1O"	"?"	"InChI=1S/C56H92O29/c1-19-7-10-56(75-17-19)20(2)31-45(85-56)37(67)32-22-6-5-21-11-26(24(61)12-55(21,4)23(22)8-9-54(31,32)3)76-50-42(72)39(69)44(30(16-60)80-50)81-53-48(47(36(66)29(15-59)79-53)83-49-40(70)33(63)25(62)18-74-49)84-52-43(73)46(35(65)28(14-58)78-52)82-51-41(71)38(68)34(64)27(13-57)77-51/h19-53,57-73H,5-18H2,1-4H3"	"UVYVLBIGDKGWPX-UHFFFAOYSA-N"		"2"	"3"	"FALSE"	"FALSE"
"1009"	"125055-50-7"	"DTXSID00154557"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N,6-dimethyl-4-oxo-"	"EPA_DSSTox"	"CNC(=O)C1=CN=C2C=CC=C(C)N2C1=O"	"CC1=CC=CC2=NC=C(C(=O)N12)C(=O)NC"	"?"	"InChI=1S/C11H11N3O2/c1-7-4-3-5-9-13-6-8(10(15)12-2)11(16)14(7)9/h3-6H,1-2H3,(H,12,15)"	"YORPSDUDGJSDFZ-UHFFFAOYSA-N"		"2"	"3"	"FALSE"	"FALSE"
"1010"	"125055-54-1"	"DTXSID90154561"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(1,1-dimethylethyl)-6-methyl-4-oxo-"	"EPA_DSSTox"	"CC1=CC=CC2=NC=C(C(=O)NC(C)(C)C)C(=O)N12"	"CC1=CC=CC2=NC=C(C(=O)N12)C(=O)NC(C)(C)C"	"?"	"InChI=1S/C14H17N3O2/c1-9-6-5-7-11-15-8-10(13(19)17(9)11)12(18)16-14(2,3)4/h5-8H,1-4H3,(H,16,18)"	"TWOQZTKIJXLQEP-UHFFFAOYSA-N"		"2"	"3"	"FALSE"	"FALSE"
"1011"	"125055-58-5"	"DTXSID30154565"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-heptyl-6-methyl-4-oxo-"	"EPA_DSSTox"	"CCCCCCCNC(=O)C1=CN=C2C=CC=C(C)N2C1=O"	"CC1=CC=CC2=NC=C(C(=O)N12)C(=O)NCCCCCCC"	"?"	"InChI=1S/C17H23N3O2/c1-3-4-5-6-7-11-18-16(21)14-12-19-15-10-8-9-13(2)20(15)17(14)22/h8-10,12H,3-7,11H2,1-2H3,(H,18,21)"	"RVQRTCFHAKPSMO-UHFFFAOYSA-N"		"2"	"3"	"FALSE"	"FALSE"
"1012"	"125055-62-1"	"DTXSID70154569"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-cyclopentyl-6-methyl-4-oxo-"	"EPA_DSSTox"	"CC1=CC=CC2=NC=C(C(=O)NC3CCCC3)C(=O)N12"	"CC1=CC=CC2=NC=C(C(=O)N21)C(=O)NC1CCCC1"	"?"	"InChI=1S/C15H17N3O2/c1-10-5-4-8-13-16-9-12(15(20)18(10)13)14(19)17-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,17,19)"	"SROGDZSCZFEIAO-UHFFFAOYSA-N"		"2"	"3"	"FALSE"	"FALSE"
"1013"	"125055-66-5"	"DTXSID60154573"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(4-fluorophenyl)-6-methyl-4-oxo-"	"EPA_DSSTox"	"CC1=CC=CC2=NC=C(C(=O)NC3=CC=C(F)C=C3)C(=O)N12"	"CC1=CC=CC2=NC=C(C(=O)NC3C=CC(F)=CC=3)C(=O)N21"	"?"	"InChI=1S/C16H12FN3O2/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)"	"UEHBHFUOPPIXOA-UHFFFAOYSA-N"		"2"	"3"	"FALSE"	"FALSE"
"1014"	"125055-70-1"	"DTXSID00154577"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 8-methyl-4-oxo-N-propyl-"	"EPA_DSSTox"	"CCCNC(=O)C1=CN=C2C=C(C)C=CN2C1=O"	"CC1C=CN2C(C=1)=NC=C(C(=O)NCCC)C2=O"	"?"	"InChI=1S/C13H15N3O2/c1-3-5-14-12(17)10-8-15-11-7-9(2)4-6-16(11)13(10)18/h4,6-8H,3,5H2,1-2H3,(H,14,17)"	"OCTWAVRBRWPDMT-UHFFFAOYSA-N"		"2"	"3"	"FALSE"	"FALSE"
"1015"	"125055-74-5"	"DTXSID90154581"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-4-oxo-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-"	"EPA_DSSTox"	"[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)C1=CN=C2C=CC=C(C)N2C1=O"	"CC1=CC=CC2=NC=C(C(=O)N21)C(=O)NC12CC3CC(C1)CC(C2)C3"	"?"	"InChI=1S/C20H23N3O2/c1-12-3-2-4-17-21-11-16(19(25)23(12)17)18(24)22-20-8-13-5-14(9-20)7-15(6-13)10-20/h2-4,11,13-15H,5-10H2,1H3,(H,22,24)"	"FNVVUVJVDUVZAK-UHFFFAOYSA-N"		"2"	"3"	"FALSE"	"FALSE"
"1016"	"125055-78-9"	"DTXSID30154585"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-cyclopentyl-6-methyl-4-oxo-, monohydrochloride"	"EPA_DSSTox"	"Cl.CC1=CC=CC2=NC=C(C(=O)NC3CCCC3)C(=O)N12"	"CC1=CC=CC2=NC=C(C(=O)N21)C(=O)NC1CCCC1"	"Cl"	"InChI=1S/C15H17N3O2/c1-10-5-4-8-13-16-9-12(15(20)18(10)13)14(19)17-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,17,19)"	"SROGDZSCZFEIAO-UHFFFAOYSA-N"		"2"	"3"	"FALSE"	"FALSE"
"1017"	"130365-34-3"			"Public_CrossChecked"	"CCCCCCCCCCCCCCCCNP1(=S)OCc2cc(ccc2O1)[N+]([O-])=O"	"CCCCCCCCCCCCCCCCNP1(=S)OCC2C=C(C=CC=2O1)[N+]([O-])=O"	"?"	"InChI=1S/C23H39N2O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-30(31)28-20-21-19-22(25(26)27)16-17-23(21)29-30/h16-17,19H,2-15,18,20H2,1H3,(H,24,31)"	"LBDUPNUHUSLPMT-UHFFFAOYSA-N"		"2"	"3"	"FALSE"	"FALSE"
"1018"	"141-30-0"	"DTXSID4059704"	"Pyridazine, 3,6-dichloro-"	"EPA_DSSTox"	"ClC1=CC=C(Cl)N=N1"	"ClC1=CC=C(Cl)N=N1"	"?"	"InChI=1S/C4H2Cl2N2/c5-3-1-2-4(6)8-7-3/h1-2H"	"GUSWJGOYDXFJSI-UHFFFAOYSA-N"		"2"	"3"	"FALSE"	"FALSE"
"1019"	"149455-36-7"	"DTXSID60164273"	"UR 8225"	"EPA_DSSTox"	"CC1(C)C=C(N2C=CC=CC2=O)C2=C(C=CC(=C2)C#N)C1=O"	"CC1(C)C=C(C2C=C(C=CC=2C1=O)C#N)N1C=CC=CC1=O"	"?"	"InChI=1S/C18H14N2O2/c1-18(2)10-15(20-8-4-3-5-16(20)21)14-9-12(11-19)6-7-13(14)17(18)22/h3-10H,1-2H3"	"PJCGOKFHROWGBX-UHFFFAOYSA-N"		"2"	"3"	"FALSE"	"FALSE"
"1020"	"22791-18-0"	"DTXSID50177332"	"Spiro(1,3-benzodioxole-2,1'-cyclohexan)-4-ol, methylcarbamate"	"EPA_DSSTox"	"CNC(=O)OC1=CC=CC2=C1OC1(CCCCC1)O2"	"CNC(=O)OC1=CC=CC2OC3(CCCCC3)OC=21"	"?"	"InChI=1S/C14H17NO4/c1-15-13(16)17-10-6-5-7-11-12(10)19-14(18-11)8-3-2-4-9-14/h5-7H,2-4,8-9H2,1H3,(H,15,16)"	"IYYOBPXUABEUJR-UHFFFAOYSA-N"		"2"	"3"	"FALSE"	"FALSE"
"1021"	"22961-83-7"			"Public_CrossChecked"	"CCC1(C)Oc2cccc(OC(=O)N(C)C(C)=O)c2O1"	"CC(=O)N(C)C(=O)OC1C=CC=C2OC(C)(CC)OC=12"	"?"	"InChI=1S/C14H17NO5/c1-5-14(3)19-11-8-6-7-10(12(11)20-14)18-13(17)15(4)9(2)16/h6-8H,5H2,1-4H3"	"YNGLPKKOWRUTDJ-UHFFFAOYSA-N"		"2"	"3"	"FALSE"	"FALSE"
"1022"	"34484-91-8"			"Public_CrossChecked"	"CCN(CC)C1=C(C=NN2CCOC2=O)C(=O)N2C=CC=CC2=N1"	"CCN(CC)C1N=C2C=CC=CN2C(=O)C=1C=NN1CCOC1=O"	"?"	"InChI=1S/C16H19N5O3/c1-3-19(4-2)14-12(11-17-21-9-10-24-16(21)23)15(22)20-8-6-5-7-13(20)18-14/h5-8,11H,3-4,9-10H2,1-2H3"	"IETXOZFKCNBOGH-UHFFFAOYSA-N"		"2"	"3"	"FALSE"	"FALSE"
"1023"	"53460-76-7"			"Public_CrossChecked"	"OC(CCl)CNC(=O)c1ccc(cc1)[N+]([O-])=O"	"[O-][N+](=O)C1C=CC(=CC=1)C(=O)NCC(O)CCl"	"?"	"InChI=1S/C10H11ClN2O4/c11-5-9(14)6-12-10(15)7-1-3-8(4-2-7)13(16)17/h1-4,9,14H,5-6H2,(H,12,15)"	"HGNMMEVZKKNYKI-UHFFFAOYSA-N"		"2"	"3"	"FALSE"	"FALSE"
"1024"	"63233-53-4"	"DTXSID30212614"	"Hexanamide, N-(3-nitro-4-(2-pyridinylmethyl)phenyl)-"	"EPA_DSSTox"	"CCCCCC(=O)NC1=CC(=C(CC2=CC=CC=N2)C=C1)[N+]([O-])=O"	"CCCCCC(=O)NC1C=C(C(CC2=CC=CC=N2)=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C18H21N3O3/c1-2-3-4-8-18(22)20-16-10-9-14(17(13-16)21(23)24)12-15-7-5-6-11-19-15/h5-7,9-11,13H,2-4,8,12H2,1H3,(H,20,22)"	"KTMLPHTWWLQKPI-UHFFFAOYSA-N"		"2"	"3"	"FALSE"	"FALSE"
"1025"	"72239-29-3"	"DTXSID80222566"	"Thiazolamine, 4,5-dihydro-N-((4-chlorophenyl)methyl)-"	"EPA_DSSTox"	"ClC1=CC=C(CNC2=NCCS2)C=C1"	"ClC1=CC=C(CNC2=NCCS2)C=C1"	"?"	"InChI=1S/C10H11ClN2S/c11-9-3-1-8(2-4-9)7-13-10-12-5-6-14-10/h1-4H,5-7H2,(H,12,13)"	"IASPZIUPJFUGFE-UHFFFAOYSA-N"		"2"	"3"	"FALSE"	"FALSE"
"1026"	"76932-60-0"	"DTXSID50227720"	"Nafarelin acetate"	"EPA_DSSTox"	"CC(O)=O.CC(C)C[C@H](NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O"	"CC(C)CC(NC(=O)C(CC1=CC=C2C=CC=CC2=C1)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(N)=O"	"OC(=O)C"	"InChI=1S/C66H83N17O13/c1-36(2)25-48(58(89)76-47(13-7-23-71-66(68)69)65(96)83-24-8-14-54(83)64(95)73-33-55(67)86)77-60(91)50(28-38-15-18-39-9-3-4-10-40(39)26-38)78-59(90)49(27-37-16-19-43(85)20-17-37)79-63(94)53(34-84)82-61(92)51(29-41-31-72-45-12-6-5-11-44(41)45)80-62(93)52(30-42-32-70-35-74-42)81-57(88)46-21-22-56(87)75-46/h3-6,9-12,15-20,26,31-32,35-36,46-54,72,84-85H,7-8,13-14,21-25,27-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71)"	"RWHUEXWOYVBUCI-UHFFFAOYSA-N"		"2"	"3"	"FALSE"	"FALSE"
"1027"	"93-05-0"	"DTXSID2025058"	"N,N-Diethylbenzene-1,4-diamine"	"EPA_DSSTox"	"CCN(CC)C1=CC=C(N)C=C1"	"CCN(CC)C1C=CC(N)=CC=1"	"?"	"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"		"2"	"3"	"FALSE"	"FALSE"
"1028"	"99300-61-5"			"Public_CrossChecked"	"[O-][N+](=O)c1ccc2OP(=S)(OCc2c1)N1CCCCC1"	"[O-][N+](=O)C1C=C2COP(=S)(OC2=CC=1)N1CCCCC1"	"?"	"InChI=1S/C12H15N2O4PS/c15-14(16)11-4-5-12-10(8-11)9-17-19(20,18-12)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7,9H2"	"SJAABBLGIDUQJL-UHFFFAOYSA-N"		"2"	"3"	"FALSE"	"FALSE"
"1029"	"116979-28-3"			"Public_CrossChecked"	"CN1C[C@@H](CC2[C@H]1Cc1c[nH]c3cccc2c13)c1ccnn1C"	"CN1CC(CC2C1CC1=CNC3C=CC=C2C1=3)C1=CC=NN1C"	"?"	"InChI=1S/C19H22N4/c1-22-11-13(17-6-7-21-23(17)2)8-15-14-4-3-5-16-19(14)12(10-20-16)9-18(15)22/h3-7,10,13,15,18,20H,8-9,11H2,1-2H3"	"BOBRHRIQEWERCH-UHFFFAOYSA-N"		"2"	"4"	"FALSE"	"FALSE"
"1030"	"116979-32-9"			"Public_CrossChecked"	"CN1CC(CC2C1CC1=CNC3=CC=CC2=C13)C1=CC=NN1"	"CN1CC(CC2C1CC1=CNC3=CC=CC2=C13)C1=CC=NN1"	"?"	"InChI=1S/C18H20N4/c1-22-10-12(15-5-6-20-21-15)7-14-13-3-2-4-16-18(13)11(9-19-16)8-17(14)22/h2-6,9,12,14,17,19H,7-8,10H2,1H3,(H,20,21)"	"NRLZOXBFNXPDKJ-UHFFFAOYSA-N"		"2"	"4"	"FALSE"	"FALSE"
"1031"	"127946-77-4"	"DTXSID20561926"	"1-Aminocyclopropane-1-carbonitrile--hydrogen chloride (1/1)"	"EPA_DSSTox"	"Cl.NC1(CC1)C#N"	"NC1(CC1)C#N"	"Cl"	"InChI=1S/C4H6N2/c5-3-4(6)1-2-4/h1-2,6H2"	"UIVATUPCWVUVIM-UHFFFAOYSA-N"		"2"	"4"	"FALSE"	"FALSE"
"1032"	"14683-75-1"			"Public_CrossChecked"	"CCCCC(C)OP(=S)(OCC)OCC"	"CCCCC(C)OP(=S)(OCC)OCC"	"?"	"InChI=1S/C10H23O3PS/c1-5-8-9-10(4)13-14(15,11-6-2)12-7-3/h10H,5-9H2,1-4H3"	"FUHNJWGKVQRFEE-UHFFFAOYSA-N"		"2"	"4"	"FALSE"	"FALSE"
"1033"	"151327-08-1"	"DTXSID90164761"	"Pyrazolo(1,5-a)pyrimidine, 7-(4-morpholinyl)-5-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, monohydrochloride"	"EPA_DSSTox"	"Cl.CCCC1=NC2=CC=NN2C(N2CCOCC2)=C1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1"	"CCCC1=NC2=CC=NN2C(=C1CC1C=CC(=CC=1)C1C=CC=CC=1C1=NNN=N1)N1CCOCC1"	"Cl"	"InChI=1S/C27H28N8O/c1-2-5-24-23(27(34-14-16-36-17-15-34)35-25(29-24)12-13-28-35)18-19-8-10-20(11-9-19)21-6-3-4-7-22(21)26-30-32-33-31-26/h3-4,6-13H,2,5,14-18H2,1H3,(H,30,31,32,33)"	"QXLHSEAUPBTLKK-UHFFFAOYSA-N"		"2"	"4"	"FALSE"	"FALSE"
"1034"	"167375-26-0"	"DTXSID50168280"	"Pyrazolo(1,5-a)pyrimidine, 5,7-dipropyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"CCCC1=NC2=CC=NN2C(CCC)=C1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1"	"CCCC1=NC2=CC=NN2C(CCC)=C1CC1C=CC(=CC=1)C1C=CC=CC=1C1=NNN=N1"	"?"	"InChI=1S/C26H27N7/c1-3-7-23-22(24(8-4-2)33-25(28-23)15-16-27-33)17-18-11-13-19(14-12-18)20-9-5-6-10-21(20)26-29-31-32-30-26/h5-6,9-16H,3-4,7-8,17H2,1-2H3,(H,29,30,31,32)"	"XCYJKTHBHIRGPF-UHFFFAOYSA-N"		"2"	"4"	"FALSE"	"FALSE"
"1035"	"168152-70-3"	"DTXSID70168505"	"(1,2,4)Triazolo(1,5-a)pyrimidin-7-amine, N,N-diethyl-5-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"CCCC1=NC2=NC=NN2C(N(CC)CC)=C1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1"	"CCCC1=NC2=NC=NN2C(=C1CC1C=CC(=CC=1)C1C=CC=CC=1C1=NNN=N1)N(CC)CC"	"?"	"InChI=1S/C26H29N9/c1-4-9-23-22(25(34(5-2)6-3)35-26(29-23)27-17-28-35)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)"	"AQPXLAPRURJICX-UHFFFAOYSA-N"		"2"	"4"	"FALSE"	"FALSE"
"1036"	"168152-74-7"	"DTXSID10168509"	"(1,2,4)Triazolo(1,5-a)pyrimidin-5(1H)-one, 2-ethyl-7-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"CCCC1=C(CC2=CC=C(C=C2)C2=CC=CC=C2C2=NNN=N2)C(=O)N=C2N=C(CC)NN12"	"CCCC1=C(CC2C=CC(=CC=2)C2C=CC=CC=2C2N=NNN=2)C(=O)N=C2N=C(CC)NN12"	"?"	"InChI=1S/C24H24N8O/c1-3-7-20-19(23(33)26-24-25-21(4-2)29-32(20)24)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-27-30-31-28-22/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,25,26,29,33)(H,27,28,30,31)"	"CXMXYXWOGFMIBO-UHFFFAOYSA-N"		"2"	"4"	"FALSE"	"FALSE"
"1037"	"168152-78-1"	"DTXSID00168513"	"(1,2,4)Triazolo(1,5-a)pyrimidin-5-amine, 7-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"CCCC1=C(CC2=CC=C(C=C2)C2=CC=CC=C2C2=NNN=N2)C(N)=NC2=NC=NN12"	"CCCC1=C(CC2C=CC(=CC=2)C2C=CC=CC=2C2N=NNN=2)C(N)=NC2=NC=NN12"	"?"	"InChI=1S/C22H21N9/c1-2-5-19-18(20(23)26-22-24-13-25-31(19)22)12-14-8-10-15(11-9-14)16-6-3-4-7-17(16)21-27-29-30-28-21/h3-4,6-11,13H,2,5,12H2,1H3,(H2,23,24,25,26)(H,27,28,29,30)"	"GAYBUFXUXTWHET-UHFFFAOYSA-N"		"2"	"4"	"FALSE"	"FALSE"
"1038"	"168152-82-7"	"DTXSID40168517"	"(1,2,4)Triazolo(1,5-a)pyrimidin-5(1H)-one, 2-methyl-7-propyl-6-((4-(3-(1H-tetrazol-5-yl)-2-thienyl)phenyl)methyl)-"	"EPA_DSSTox"	"CCCC1=C(CC2=CC=C(C=C2)C2=C(C=CS2)C2=NNN=N2)C(=O)N=C2N=C(C)NN12"	"CC1NN2C(N=1)=NC(=O)C(CC1C=CC(=CC=1)C1SC=CC=1C1=NNN=N1)=C2CCC"	"?"	"InChI=1S/C21H20N8OS/c1-3-4-17-16(20(30)23-21-22-12(2)26-29(17)21)11-13-5-7-14(8-6-13)18-15(9-10-31-18)19-24-27-28-25-19/h5-10H,3-4,11H2,1-2H3,(H,22,23,26,30)(H,24,25,27,28)"	"DRMGKOMHHBBKDH-UHFFFAOYSA-N"		"2"	"4"	"FALSE"	"FALSE"
"1039"	"168152-86-1"	"DTXSID30168521"	"(1,2,4)Triazolo(1,5-a)pyrimidine, 7-propyl-5-(1-pyrrolidinyl)-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)4-yl)methyl)-"	"EPA_DSSTox"	"CCCC1=C(CC2=CC=C(C=C2)C2=CC=CC=C2C2=NNN=N2)C(=NC2=NC=NN12)N1CCCC1"	"CCCC1=C(CC2C=CC(=CC=2)C2C=CC=CC=2C2N=NNN=2)C(=NC2=NC=NN21)N1CCCC1"	"?"	"InChI=1S/C26H27N9/c1-2-7-23-22(25(34-14-5-6-15-34)29-26-27-17-28-35(23)26)16-18-10-12-19(13-11-18)20-8-3-4-9-21(20)24-30-32-33-31-24/h3-4,8-13,17H,2,5-7,14-16H2,1H3,(H,30,31,32,33)"	"ALPWHNOWURKVDX-UHFFFAOYSA-N"		"2"	"4"	"FALSE"	"FALSE"
"1040"	"168152-90-7"	"DTXSID70168525"	"(1,2,4)Triazolo(1,5-a)pyrimidin-5-amine, N-(2-(4-morpholinyl)ethyl)-7-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"CCCC1=C(CC2=CC=C(C=C2)C2=CC=CC=C2C2=NNN=N2)C(NCCN2CCOCC2)=NC2=NC=NN12"	"CCCC1=C(CC2C=CC(=CC=2)C2C=CC=CC=2C2=NNN=N2)C(NCCN2CCOCC2)=NC2=NC=NN21"	"?"	"InChI=1S/C28H32N10O/c1-2-5-25-24(26(32-28-30-19-31-38(25)28)29-12-13-37-14-16-39-17-15-37)18-20-8-10-21(11-9-20)22-6-3-4-7-23(22)27-33-35-36-34-27/h3-4,6-11,19H,2,5,12-18H2,1H3,(H,29,30,31,32)(H,33,34,35,36)"	"YHTUPEKTSKCIPO-UHFFFAOYSA-N"		"2"	"4"	"FALSE"	"FALSE"
"1041"	"168152-94-1"	"DTXSID10168529"	"(1,2,4)Triazolo(1,5-a)pyrimidine, 5-(1-piperidinyl)-7-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"EPA_DSSTox"	"CCCC1=C(CC2=CC=C(C=C2)C2=CC=CC=C2C2=NNN=N2)C(=NC2=NC=NN12)N1CCCCC1"	"CCCC1=C(CC2C=CC(=CC=2)C2C=CC=CC=2C2N=NNN=2)C(=NC2=NC=NN21)N1CCCCC1"	"?"	"InChI=1S/C27H29N9/c1-2-8-24-23(26(35-15-6-3-7-16-35)30-27-28-18-29-36(24)27)17-19-11-13-20(14-12-19)21-9-4-5-10-22(21)25-31-33-34-32-25/h4-5,9-14,18H,2-3,6-8,15-17H2,1H3,(H,31,32,33,34)"	"YGNZIYDTDDSIEA-UHFFFAOYSA-N"		"2"	"4"	"FALSE"	"FALSE"
"1042"	"168153-01-3"	"DTXSID00168533"	"(1,2,4)Triazolo(1,5-a)pyrimidin-5(1H)-one, 6-((4-(5-bromo-3-(1H-tetrazol-5-yl)-2-furanyl)phenyl)methyl)-7-propyl-"	"EPA_DSSTox"	"CCCC1=C(CC2=CC=C(C=C2)C2=C(C=C(Br)O2)C2=NNN=N2)C(=O)N=C2N=CNN12"	"CCCC1=C(CC2C=CC(=CC=2)C2OC(Br)=CC=2C2=NNN=N2)C(=O)N=C2N=CNN12"	"?"	"InChI=1S/C20H17BrN8O2/c1-2-3-15-13(19(30)24-20-22-10-23-29(15)20)8-11-4-6-12(7-5-11)17-14(9-16(21)31-17)18-25-27-28-26-18/h4-7,9-10H,2-3,8H2,1H3,(H,22,23,24,30)(H,25,26,27,28)"	"RBFOJUXCJSVZJC-UHFFFAOYSA-N"		"2"	"4"	"FALSE"	"FALSE"
"1043"	"2240-41-7"	"DTXSID20176933"	"Phosphonic acid, phenyl-, O,O-dimethyl ester"	"EPA_DSSTox"	"COP(=O)(OC)C1=CC=CC=C1"	"COP(=O)(OC)C1C=CC=CC=1"	"?"	"InChI=1S/C8H11O3P/c1-10-12(9,11-2)8-6-4-3-5-7-8/h3-7H,1-2H3"	"OXDOANYFRLHSML-UHFFFAOYSA-N"		"2"	"4"	"FALSE"	"FALSE"
"1044"	"2455-45-0"			"Public_CrossChecked"	"CCOP(=S)(CC)OCC"	"CCP(=S)(OCC)OCC"	"?"	"InChI=1S/C6H15O2PS/c1-4-7-9(10,6-3)8-5-2/h4-6H2,1-3H3"	"QYCVXOPKANTCLT-UHFFFAOYSA-N"		"2"	"4"	"FALSE"	"FALSE"
"1045"	"33156-84-2"			"Public_CrossChecked"	"COc1ccc(cc1)C1(O)N2CCN=C2c2ccccc12"	"COC1C=CC(=CC=1)C1(O)C2C=CC=CC=2C2=NCCN12"	"?"	"InChI=1S/C17H16N2O2/c1-21-13-8-6-12(7-9-13)17(20)15-5-3-2-4-14(15)16-18-10-11-19(16)17/h2-9,20H,10-11H2,1H3"	"HQICEQOCYAITRP-UHFFFAOYSA-N"		"2"	"4"	"FALSE"	"FALSE"
"1046"	"50335-03-0"	"DTXSID20891790"	"Chaetoglobosin A"	"EPA_DSSTox"	"[H][C@@]12O[C@]1(C)[C@@H](C)[C@@]1([H])[C@H](CC3=CNC4=CC=CC=C34)NC(=O)[C@]11C(=O)\C=C\C(=O)[C@H](O)\C(C)=C\[C@@H](C)C\C=C\[C@@]21[H]"	"CC12OC1C1C=CCC(C)C=C(C)C(=O)C(O)C=CC(=O)C31C(C(CC1=CNC4C=CC=CC=41)NC3=O)C2C |c:6,18,t:11|"	"?"	"InChI=1S/C32H36N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-14,16-17,19,22,24-25,27,29,33,35H,8,15H2,1-4H3,(H,34,38)/b10-7-,13-12-,18-14-"	"WWGGKMAHFLTHKU-BCSUKUKTSA-N"		"2"	"4"	"FALSE"	"FALSE"
"1047"	"50765-75-8"			"Public_CrossChecked"	"Cl.CC(C)=CCC(CCN1CCCCC1)(C#N)c1cccc2ccccc12"	"CC(C)=CCC(CCN1CCCCC1)(C#N)C1C=CC=C2C=CC=CC2=1"	"Cl"	"InChI=1S/C24H30N2/c1-20(2)13-14-24(19-25,15-18-26-16-6-3-7-17-26)23-12-8-10-21-9-4-5-11-22(21)23/h4-5,8-13H,3,6-7,14-18H2,1-2H3"	"CALIREOTOJOLDK-UHFFFAOYSA-N"		"2"	"4"	"FALSE"	"FALSE"
"1048"	"54941-76-3"	"DTXSID00203458"	"Methanone, (3,4-dichlorophenyl)(2-(1H-imidazol-2-yl)phenyl)-, monohydrochloride"	"EPA_DSSTox"	"Cl.ClC1=C(Cl)C=C(C=C1)C(=O)C1=CC=CC=C1C1=NC=CN1"	"O=C(C1C=CC=CC=1C1NC=CN=1)C1C=C(Cl)C(Cl)=CC=1"	"Cl"	"InChI=1S/C16H10Cl2N2O/c17-13-6-5-10(9-14(13)18)15(21)11-3-1-2-4-12(11)16-19-7-8-20-16/h1-9H,(H,19,20)"	"ACHPJLVVPZRCSF-UHFFFAOYSA-N"		"2"	"4"	"FALSE"	"FALSE"
"1049"	"54941-82-1"	"DTXSID30203461"	"1H-Imidazole, 1-(4-chlorobenzoyl)-2-phenyl-"	"EPA_DSSTox"	"ClC1=CC=C(C=C1)C(=O)N1C=CN=C1C1=CC=CC=C1"	"O=C(C1C=CC(Cl)=CC=1)N1C=CN=C1C1C=CC=CC=1"	"?"	"InChI=1S/C16H11ClN2O/c17-14-8-6-13(7-9-14)16(20)19-11-10-18-15(19)12-4-2-1-3-5-12/h1-11H"	"YUJCWKIOCRLJEG-UHFFFAOYSA-N"		"2"	"4"	"FALSE"	"FALSE"
"1050"	"6840-11-5"	"DTXSID10218533"	"Phosphonothioic acid, phenyl-, O,O-dimethyl ester"	"EPA_DSSTox"	"COP(=S)(OC)C1=CC=CC=C1"	"COP(=S)(OC)C1C=CC=CC=1"	"?"	"InChI=1S/C8H11O2PS/c1-9-11(12,10-2)8-6-4-3-5-7-8/h3-7H,1-2H3"	"ANZBDDNZDYFTOL-UHFFFAOYSA-N"		"2"	"4"	"FALSE"	"FALSE"
"1051"	"75272-39-8"	"DTXSID0042612"	"Nemonapride"	"EPA_DSSTox"		"CC1C(CCN1CC1C=CC=CC=1)NC(=O)C1C=C(Cl)C(=CC=1OC)NC"	"?"	"InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)"	"KRVOJOCLBAAKSJ-UHFFFAOYSA-N"		"2"	"4"	"FALSE"	"FALSE"
"1052"	"100-03-8"	"DTXSID5024768"	"4-Chlorobenzenesulphinic acid"	"EPA_DSSTox"	"OS(=O)C1=CC=C(Cl)C=C1"	"OS(=O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C6H5ClO2S/c7-5-1-3-6(4-2-5)10(8)9/h1-4H,(H,8,9)"	"AOQYAMDZQAEDLO-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1053"	"101190-60-7"	"DTXSID20143766"	"9H-Purin-6-amine, 9-((2-fluorophenyl)methyl)-N-methyl-, hydrochloride"	"EPA_DSSTox"	"Cl.CNC1=C2N=CN(CC3=CC=CC=C3F)C2=NC=N1"	"CNC1=NC=NC2=C1N=CN2CC1C=CC=CC=1F"	"Cl"	"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"		"3"	"4"	"FALSE"	"FALSE"
"1054"	"10308-13-1"			"Public_CrossChecked"	"COc1cc2[C@@H]3C[C@H](C[C@H]4CCCCN34)OC(=O)C=Cc3ccc(O)c(c3)-c2cc1OC"	"COC1C=C2C3CC(CC4CCCCN43)OC(=O)C=CC3=CC(=C(O)C=C3)C2=CC=1OC |c:20|"	"?"	"InChI=1S/C26H29NO5/c1-30-24-14-19-20(15-25(24)31-2)22-13-18(12-17-5-3-4-10-27(17)22)32-26(29)9-7-16-6-8-23(28)21(19)11-16/h6-9,11,14-15,17-18,22,28H,3-5,10,12-13H2,1-2H3/b9-7-"	"WCZWUYYJZVBKDZ-CLFYSBASSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1055"	"106141-32-6"	"DTXSID40888824"	"Carbamic chloride, N-[5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-"	"EPA_DSSTox"	"CN(C(Cl)=O)C1=NN=C(S1)C(C)(C)C"	"CN(C(=O)Cl)C1=NN=C(S1)C(C)(C)C"	"?"	"InChI=1S/C8H12ClN3OS/c1-8(2,3)5-10-11-7(14-5)12(4)6(9)13/h1-4H3"	"HBHLQGBZOYCPHE-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1056"	"108288-02-4"	"DTXSID1073783"	"4-Pyridazineethanol, 3,6-dichloro-.beta.,.beta.-dimethyl-"	"EPA_DSSTox"	"CC(C)(CO)C1=C(Cl)N=NC(Cl)=C1"	"CC(C)(CO)C1C=C(Cl)N=NC=1Cl"	"?"	"InChI=1S/C8H10Cl2N2O/c1-8(2,4-13)5-3-6(9)11-12-7(5)10/h3,13H,4H2,1-2H3"	"JCUPTUDLHBGJHJ-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1057"	"1118-68-9"	"DTXSID6074336"	"Glycine, N,N-dimethyl-"	"EPA_DSSTox"	"CN(C)CC(O)=O"	"CN(C)CC(O)=O"	"?"	"InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)"	"FFDGPVCHZBVARC-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1058"	"113702-02-6"			"Public_CrossChecked"	"COC12C[C@@H](CO)CN(C)[C@@H]1Cc1cn(c3cccc2c13)C(C)(C)C"	"CC(C)(C)N1C=C2CC3N(C)CC(CO)CC3(OC)C3=CC=CC1=C32"	"?"	"InChI=1S/C21H30N2O2/c1-20(2,3)23-12-15-9-18-21(25-5,10-14(13-24)11-22(18)4)16-7-6-8-17(23)19(15)16/h6-8,12,14,18,24H,9-11,13H2,1-5H3"	"KETJBQNQBMTLIF-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1059"	"115816-67-6"			"Public_CrossChecked"	"CCCOC(=O)C(C(=O)OCCC)=C1SC2C(S1)N(C)CCN2C"	"CN1CCN(C)C2SC(SC12)=C(C(=O)OCCC)C(=O)OCCC"	"?"	"InChI=1S/C16H26N2O4S2/c1-5-9-21-14(19)11(15(20)22-10-6-2)16-23-12-13(24-16)18(4)8-7-17(12)3/h12-13H,5-10H2,1-4H3"	"UOIDEMOWEJIQJA-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1060"	"119646-52-5"			"Public_CrossChecked"	"CN(CCNCc1cc(cc(Br)c1O)C(C)(C)C)CCNC(=O)c1nc(Cl)c(N)nc1N"	"CN(CCNC(=O)C1=NC(Cl)=C(N)N=C1N)CCNCC1=CC(=CC(Br)=C1O)C(C)(C)C"	"?"	"InChI=1S/C21H31BrClN7O2/c1-21(2,3)13-9-12(16(31)14(22)10-13)11-26-5-7-30(4)8-6-27-20(32)15-18(24)29-19(25)17(23)28-15/h9-10,26,31H,5-8,11H2,1-4H3,(H,27,32)(H4,24,25,29)"	"BOOGSGUHOOWQBH-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1061"	"1242-28-0"	"DTXSID40154238"	"3,5-Pyrazolidinedione, 1,2-bis(m-hydroxyphenyl)-4-butyl-"	"EPA_DSSTox"	"CCCCC1C(=O)N(N(C1=O)C1=CC(O)=CC=C1)C1=CC(O)=CC=C1"	"CCCCC1C(=O)N(C2=CC(O)=CC=C2)N(C2=CC(O)=CC=C2)C1=O"	"?"	"InChI=1S/C19H20N2O4/c1-2-3-10-17-18(24)20(13-6-4-8-15(22)11-13)21(19(17)25)14-7-5-9-16(23)12-14/h4-9,11-12,17,22-23H,2-3,10H2,1H3"	"VKZRALJXXAVKJL-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1062"	"128143-07-7"	"DTXSID20155824"	"1-Piperazinecarboximidamide, N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-N'-(2-methylpropyl)-,monohydrochloride"	"EPA_DSSTox"	"Cl.COC1=CC=CC=C1N1CCN(CC1)C(\NC1=CC(Cl)=C(Cl)C=C1)=N/CC(C)C"	"COC1C=CC=CC=1N1CCN(CC1)/C(/NC1C=C(Cl)C(Cl)=CC=1)=N\CC(C)C"	"Cl"	"InChI=1S/C22H28Cl2N4O/c1-16(2)15-25-22(26-17-8-9-18(23)19(24)14-17)28-12-10-27(11-13-28)20-6-4-5-7-21(20)29-3/h4-9,14,16H,10-13,15H2,1-3H3,(H,25,26)"	"RBOMQXYVSYEKPG-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1063"	"132971-59-6"	"DTXSID20157883"	"Cytogenin"	"EPA_DSSTox"	"COC1=CC(O)=C2C(=O)OC(CO)=CC2=C1"	"COC1=CC2C=C(CO)OC(=O)C=2C(O)=C1"	"?"	"InChI=1S/C11H10O5/c1-15-7-2-6-3-8(5-12)16-11(14)10(6)9(13)4-7/h2-4,12-13H,5H2,1H3"	"CAWNOJXNAUEIGB-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1064"	"138069-52-0"	"DTXSID2043955"	"Ukrain"	"EPA_DSSTox"	"[OH-].[OH-].[OH-].C[N@+]1(CCNP(=S)(NCC[N@@+]2(C)CC3=C4OCOC4=CC=C3[C@H]3[C@@H](O)CC4=C(C=C5OCOC5=C4)[C@@H]23)NCC[N@@+]2(C)CC3=C4OCOC4=CC=C3[C@H]3[C@@H](O)CC4=C(C=C5OCOC5=C4)[C@@H]23)CC2=C3OCOC3=CC=C2[C@H]2[C@@H](O)CC3=C(C=C4OCOC4=C3)[C@@H]12"	"C[N+]1(CC2C3OCOC=3C=CC=2C2C1C1C=C3OCOC3=CC=1CC2O)CCNP(=S)(NCC[N+]1(C)CC2C3OCOC=3C=CC=2C2C1C1C=C3OCOC3=CC=1CC2O)NCC[N+]1(C)CC2C3OCOC=3C=CC=2C2C1C1C=C3OCOC3=CC=1CC2O"	"[OH-].[OH-].[OH-]"	"InChI=1S/C66H72N6O15PS/c1-70(25-43-37(4-7-49-64(43)85-31-76-49)58-46(73)16-34-19-52-55(82-28-79-52)22-40(34)61(58)70)13-10-67-88(89,68-11-14-71(2)26-44-38(5-8-50-65(44)86-32-77-50)59-47(74)17-35-20-53-56(83-29-80-53)23-41(35)62(59)71)69-12-15-72(3)27-45-39(6-9-51-66(45)87-33-78-51)60-48(75)18-36-21-54-57(84-30-81-54)24-42(36)63(60)72/h4-9,19-24,46-48,58-63,73-75H,10-18,25-33H2,1-3H3,(H3,67,68,69,89)/q+3"	"DZWOYVBKCHRHGV-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1065"	"1466-76-8"	"DTXSID4046999"	"2,6-Dimethoxybenzoic acid"	"EPA_DSSTox"	"COC1=CC=CC(OC)=C1C(O)=O"	"COC1=CC=CC(OC)=C1C(O)=O"	"?"	"InChI=1S/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)"	"MBIZFBDREVRUHY-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1066"	"149246-67-3"	"DTXSID70164209"	"Pyrazolo(1,5-a)pyrimidin-7(4H)-one, 4-ethyl-2-(2-thienyl)-"	"EPA_DSSTox"	"CCN1C=CC(=O)N2N=C(C=C12)C1=CC=CS1"	"CCN1C=CC(=O)N2N=C(C=C21)C1=CC=CS1"	"?"	"InChI=1S/C12H11N3OS/c1-2-14-6-5-12(16)15-11(14)8-9(13-15)10-4-3-7-17-10/h3-8H,2H2,1H3"	"HRRZBYPYLUKEMM-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1067"	"1675-54-3"	"DTXSID6024624"	"Bisphenol A diglycidyl ether"	"EPA_DSSTox"	"CC(C)(C1=CC=C(OCC2CO2)C=C1)C1=CC=C(OCC2CO2)C=C1"	"CC(C)(C1C=CC(=CC=1)OCC1CO1)C1C=CC(=CC=1)OCC1CO1"	"?"	"InChI=1S/C21H24O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h3-10,19-20H,11-14H2,1-2H3"	"LCFVJGUPQDGYKZ-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1068"	"189624-86-0"			"Public_CrossChecked"	"Cl.Cl.COC(=O)C1C(C(C(=O)OC=C)=C(C)N[C@@]1(C)c1ccc(cc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1)c1cccc(c1)[N+]([O-])=O"	"CC1=NC(C)(C(C(C1C(=O)OC=C)C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC)C1C=CC(=CC=1)N1CCN(CC1)C(C1C=CC=CC=1)C1C=CC=CC=1"	"Cl.Cl"	"InChI=1S/C41H42N4O6/c1-5-51-39(46)35-28(2)42-41(3,37(40(47)50-4)36(35)31-17-12-18-34(27-31)45(48)49)32-19-21-33(22-20-32)43-23-25-44(26-24-43)38(29-13-8-6-9-14-29)30-15-10-7-11-16-30/h5-22,27,35-38H,1,23-26H2,2-4H3"	"ZRZMLQZVIFIZMY-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1069"	"2019-05-8"			"Public_CrossChecked"	"CCCCC1C(=O)N(N(C1=O)c1ccc(cc1)S(C)(=O)=O)c1ccccc1"	"CCCCC1C(=O)N(C2C=CC(=CC=2)S(C)(=O)=O)N(C1=O)C1C=CC=CC=1"	"?"	"InChI=1S/C20H22N2O4S/c1-3-4-10-18-19(23)21(15-8-6-5-7-9-15)22(20(18)24)16-11-13-17(14-12-16)27(2,25)26/h5-9,11-14,18H,3-4,10H2,1-2H3"	"YAWBLMAKWZMRKS-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1070"	"20954-15-8"	"DTXSID50175136"	"Benzoic acid, p-(3-(3-(dimethylamino)propoxy)-1H-indazol-1-yl)-, butyl ester"	"EPA_DSSTox"	"CCCCOC(=O)C1=CC=C(C=C1)N1N=C(OCCCN(C)C)C2=CC=CC=C12"	"CN(C)CCCOC1=NN(C2C=CC=CC=21)C1C=CC(=CC=1)C(=O)OCCCC"	"?"	"InChI=1S/C23H29N3O3/c1-4-5-16-29-23(27)18-11-13-19(14-12-18)26-21-10-7-6-9-20(21)22(24-26)28-17-8-15-25(2)3/h6-7,9-14H,4-5,8,15-17H2,1-3H3"	"ZNHBGQCKVQVSPG-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1071"	"21709-39-7"			"Public_CrossChecked"	"Cc1nc(N)sc1C(=O)NCc1ccccc1"	"CC1N=C(N)SC=1C(=O)NCC1C=CC=CC=1"	"?"	"InChI=1S/C12H13N3OS/c1-8-10(17-12(13)15-8)11(16)14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,13,15)(H,14,16)"	"CZIFOKIOABZOAY-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1072"	"23047-25-8"	"DTXSID2023220"	"Lofepramine"	"EPA_DSSTox"	"CN(CCCN1C2=CC=CC=C2CCC2=C1C=CC=C2)CC(=O)C1=CC=C(Cl)C=C1"	"CN(CCCN1C2=CC=CC=C2CCC2C=CC=CC1=2)CC(=O)C1C=CC(Cl)=CC=1"	"?"	"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"		"3"	"4"	"FALSE"	"FALSE"
"1073"	"26095-59-0"	"DTXSID0046357"	"Otilonium bromide"	"EPA_DSSTox"	"[Br-].CCCCCCCCOC1=CC=CC=C1C(=O)NC1=CC=C(C=C1)C(=O)OCC[N+](C)(CC)CC"	"CCCCCCCCOC1=CC=CC=C1C(=O)NC1C=CC(=CC=1)C(=O)OCC[N+](C)(CC)CC"	"[Br-]"	"InChI=1S/C29H42N2O4/c1-5-8-9-10-11-14-22-34-27-16-13-12-15-26(27)28(32)30-25-19-17-24(18-20-25)29(33)35-23-21-31(4,6-2)7-3/h12-13,15-20H,5-11,14,21-23H2,1-4H3/p+1"	"NQHNLNLJPDMBFN-UHFFFAOYSA-O"		"3"	"4"	"FALSE"	"FALSE"
"1074"	"30507-70-1"	"DTXSID60858786"	"Prodenialure B"	"EPA_DSSTox"	"C\C=C\C\C=C/CCCCCCCCOC(C)=O"	"CC=CCC=CCCCCCCCCOC(C)=O"	"?"	"InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-4,6-7H,5,8-15H2,1-2H3"	"ZZGJZGSVLNSDPG-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1075"	"30560-33-9"			"Public_CrossChecked"	"COP(=O)(NC(=O)C(Cl)Cl)SC"	"COP(=O)(NC(=O)C(Cl)Cl)SC"	"?"	"InChI=1S/C4H8Cl2NO3PS/c1-10-11(9,12-2)7-4(8)3(5)6/h3H,1-2H3,(H,7,8,9)"	"MANCWSUTQSBPSN-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1076"	"32654-41-4"			"Public_CrossChecked"	"Cl.Cc1ccnc(N)c1"	"CC1=CC(N)=NC=C1"	"Cl"	"InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)"	"ORLGLBZRQYOWNA-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1077"	"34580-64-8"	"DTXSID80188138"	"Acetic acid, ((1-(3-(trifluoromethyl)phenyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)- (9CI)"	"EPA_DSSTox"	"OC(=O)COC1=NN(C2=C1C=CC=N2)C1=CC=CC(=C1)C(F)(F)F"	"OC(=O)COC1=NN(C2=NC=CC=C21)C1C=C(C=CC=1)C(F)(F)F"	"?"	"InChI=1S/C15H10F3N3O3/c16-15(17,18)9-3-1-4-10(7-9)21-13-11(5-2-6-19-13)14(20-21)24-8-12(22)23/h1-7H,8H2,(H,22,23)"	"OSBPZONQNBPENH-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1078"	"34580-69-3"			"Public_CrossChecked"	"Cl.FC(F)(F)c1cccc(c1)-n1nc(OCCN2CCCCCC2)c2cccnc12"	"FC(F)(F)C1C=C(C=CC=1)N1N=C(OCCN2CCCCCC2)C2C=CC=NC1=2"	"Cl"	"InChI=1S/C21H23F3N4O/c22-21(23,24)16-7-5-8-17(15-16)28-19-18(9-6-10-25-19)20(26-28)29-14-13-27-11-3-1-2-4-12-27/h5-10,15H,1-4,11-14H2"	"DPXRCERCUVACRU-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1079"	"34580-74-0"	"DTXSID70188142"	"Ethanol, 2-((1-(3-(trifluoromethyl)phenyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)- (9CI)"	"EPA_DSSTox"	"OCCOC1=NN(C2=C1C=CC=N2)C1=CC=CC(=C1)C(F)(F)F"	"OCCOC1=NN(C2=NC=CC=C21)C1C=C(C=CC=1)C(F)(F)F"	"?"	"InChI=1S/C15H12F3N3O2/c16-15(17,18)10-3-1-4-11(9-10)21-13-12(5-2-6-19-13)14(20-21)23-8-7-22/h1-6,9,22H,7-8H2"	"IOLVNDULVQTBBV-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1080"	"34614-29-4"	"DTXSID90188184"	"1H-Pyrazolo(3,4-b)pyridine, 3-butoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-"	"EPA_DSSTox"	"CCCCOC1=NN(C2=C1C=CC=N2)C1=CC=CC(=C1)C(F)(F)F"	"CCCCOC1=NN(C2=NC=CC=C21)C1C=C(C=CC=1)C(F)(F)F"	"?"	"InChI=1S/C17H16F3N3O/c1-2-3-10-24-16-14-8-5-9-21-15(14)23(22-16)13-7-4-6-12(11-13)17(18,19)20/h4-9,11H,2-3,10H2,1H3"	"JYEZATRKDHFEPJ-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1081"	"34935-16-5"			"Public_CrossChecked"	"CC(C=O)C(=O)c1ccc(cc1)C1CCCCC1"	"CC(C=O)C(=O)C1=CC=C(C=C1)C1CCCCC1"	"?"	"InChI=1S/C16H20O2/c1-12(11-17)16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-13H,2-6H2,1H3"	"AHKVYNGYMYYIPI-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1082"	"36146-44-8"			"Public_CrossChecked"	"O=C1OCCN1N=CC1=C(N=C2C=CC=CN2C1=O)N1CCCCCC1"	"O=C1C(C=NN2CCOC2=O)=C(N=C2C=CC=CN12)N1CCCCCC1"	"?"	"InChI=1S/C18H21N5O3/c24-17-14(13-19-23-11-12-26-18(23)25)16(21-8-4-1-2-5-9-21)20-15-7-3-6-10-22(15)17/h3,6-7,10,13H,1-2,4-5,8-9,11-12H2"	"FRKGTQMKDGCKBB-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1083"	"39062-67-4"	"DTXSID20192310"	"5-Hydroxyflufenamic acid"	"EPA_DSSTox"	"OC(=O)C1=C(NC2=CC=CC(=C2)C(F)(F)F)C=CC(O)=C1"	"OC1C=CC(NC2C=C(C=CC=2)C(F)(F)F)=C(C=1)C(O)=O"	"?"	"InChI=1S/C14H10F3NO3/c15-14(16,17)8-2-1-3-9(6-8)18-12-5-4-10(19)7-11(12)13(20)21/h1-7,18-19H,(H,20,21)"	"HXTLXQUVSUWKKB-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1084"	"40373-43-1"	"DTXSID80193363"	"Carbamic acid, methyl(1-oxobutyl)-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester"	"EPA_DSSTox"	"CCCC(=O)N(C)C(=O)OC1=CC=CC2=C1OC(C)(C)O2"	"CCCC(=O)N(C)C(=O)OC1=CC=CC2OC(C)(C)OC=21"	"?"	"InChI=1S/C15H19NO5/c1-5-7-12(17)16(4)14(18)19-10-8-6-9-11-13(10)21-15(2,3)20-11/h6,8-9H,5,7H2,1-4H3"	"QMNOSNZAYYYCKM-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1085"	"40374-18-3"			"Public_CrossChecked"	"CN(C(C)=O)C(=O)Oc1cccc2OC3(CCCCC3)Oc12"	"CC(=O)N(C)C(=O)OC1C=CC=C2OC3(CCCCC3)OC=12"	"?"	"InChI=1S/C16H19NO5/c1-11(18)17(2)15(19)20-12-7-6-8-13-14(12)22-16(21-13)9-4-3-5-10-16/h6-8H,3-5,9-10H2,1-2H3"	"WGCDPRJZQCZMQA-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1086"	"41817-54-3"	"DTXSID50194625"	"5-Thiazolecarboxamide, 4-methyl-2-(4-morpholinyl)-N-phenyl-"	"EPA_DSSTox"	"CC1=C(SC(=N1)N1CCOCC1)C(=O)NC1=CC=CC=C1"	"CC1N=C(SC=1C(=O)NC1C=CC=CC=1)N1CCOCC1"	"?"	"InChI=1S/C15H17N3O2S/c1-11-13(14(19)17-12-5-3-2-4-6-12)21-15(16-11)18-7-9-20-10-8-18/h2-6H,7-10H2,1H3,(H,17,19)"	"NRDNQJKBYRHTBO-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1087"	"50765-72-5"			"Public_CrossChecked"	"[Cl-].CC[NH+](C)CCC(CC=C(C)C)(C#N)c1cccc2ccccc12"	"CC(C)=CCC(CCN(C)CC)(C#N)C1C=CC=C2C=CC=CC2=1"	"[Cl-]"	"InChI=1S/C22H28N2/c1-5-24(4)16-15-22(17-23,14-13-18(2)3)21-12-8-10-19-9-6-7-11-20(19)21/h6-13H,5,14-16H2,1-4H3"	"QQPIEKBXNDZETN-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1088"	"50765-80-5"			"Public_CrossChecked"	"Cl.CCC(C)C(CCN(CC=C(C)C)CC=C(C)C)(C#N)c1cccc2ccccc12"	"CCC(C)C(CCN(CC=C(C)C)CC=C(C)C)(C#N)C1C=CC=C2C=CC=CC2=1"	"Cl"	"InChI=1S/C28H38N2/c1-7-24(6)28(21-29,27-14-10-12-25-11-8-9-13-26(25)27)17-20-30(18-15-22(2)3)19-16-23(4)5/h8-16,24H,7,17-20H2,1-6H3"	"JFZUXRURNWLFOS-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1089"	"50765-84-9"			"Public_CrossChecked"	"[Cl-].C[NH+](C)CCC(CC=C(C)C)(Cc1cccc2ccccc12)C#N"	"CC(C)=CCC(CCN(C)C)(CC1C=CC=C2C=CC=CC=12)C#N"	"[Cl-]"	"InChI=1S/C22H28N2/c1-18(2)12-13-22(17-23,14-15-24(3)4)16-20-10-7-9-19-8-5-6-11-21(19)20/h5-12H,13-16H2,1-4H3"	"AEPSRGKFFFKPGJ-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1090"	"50838-36-3"	"DTXSID0057758"	"Tolciclate"	"EPA_DSSTox"	"CN(C(=S)OC1=CC2=C(C=C1)C1CCC2C1)C1=CC(C)=CC=C1"	"CC1C=C(C=CC=1)N(C)C(=S)OC1=CC2C3CC(CC3)C=2C=C1"	"?"	"InChI=1S/C20H21NOS/c1-13-4-3-5-16(10-13)21(2)20(23)22-17-8-9-18-14-6-7-15(11-14)19(18)12-17/h3-5,8-10,12,14-15H,6-7,11H2,1-2H3"	"CANCCLAKQQHLNK-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1091"	"52-01-7"	"DTXSID6034186"	"Spironolactone"	"EPA_DSSTox"	"CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12"	"CC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC43CCC(=O)O4)C21"	"?"	"InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3"	"LXMSZDCAJNLERA-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1092"	"5301-65-5"			"Public_CrossChecked"	"CCOP(=O)(CC)OC"	"COP(=O)(CC)OCC"	"?"	"InChI=1S/C5H13O3P/c1-4-8-9(6,5-2)7-3/h4-5H2,1-3H3"	"GYWPLJQMSDXQDK-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1093"	"55232-82-1"	"DTXSID30203749"	"Benzenecarboximidamide, N-(5-chloro-2-methoxyphenyl)-N'-cyclohexyl-3-methyl-, monohydrochloride"	"EPA_DSSTox"	"Cl.COC1=C(N\C(=N\C2CCCCC2)C2=CC=CC(C)=C2)C=C(Cl)C=C1"	"CC1C=C(C=CC=1)/C(/NC1C=C(Cl)C=CC=1OC)=N\C1CCCCC1"	"Cl"	"InChI=1S/C21H25ClN2O/c1-15-7-6-8-16(13-15)21(23-18-9-4-3-5-10-18)24-19-14-17(22)11-12-20(19)25-2/h6-8,11-14,18H,3-5,9-10H2,1-2H3,(H,23,24)"	"MZVOVHVHVYCRNT-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1094"	"56344-92-4"	"DTXSID00204884"	"Benzonitrile, 2-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, monohydrochloride"	"EPA_DSSTox"	"Cl.CC1=NC2=CC=CC=C2C(=O)N1C1=CC=CC=C1C#N"	"CC1=NC2C=CC=CC=2C(=O)N1C1C=CC=CC=1C#N"	"Cl"	"InChI=1S/C16H11N3O/c1-11-18-14-8-4-3-7-13(14)16(20)19(11)15-9-5-2-6-12(15)10-17/h2-9H,1H3"	"ZWFKHMRTCUBAPH-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1095"	"5834-96-8"	"DTXSID8041616"	"Azothoate"	"EPA_DSSTox"	"COP(=S)(OC)OC1=CC=C(C=C1)\N=N\C1=CC=C(Cl)C=C1"	"COP(=S)(OC1C=CC(=CC=1)N=NC1C=CC(Cl)=CC=1)OC"	"?"	"InChI=1S/C14H14ClN2O3PS/c1-18-21(22,19-2)20-14-9-7-13(8-10-14)17-16-12-5-3-11(15)4-6-12/h3-10H,1-2H3"	"DCEAEHHJGXAROU-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1096"	"58955-81-0"	"DTXSID00207693"	"6H-1,3,5-Oxathiazine, 4-(4-chlorophenyl)-"	"EPA_DSSTox"	"ClC1=CC=C(C=C1)C1=NCOCS1"	"ClC1C=CC(=CC=1)C1=NCOCS1"	"?"	"InChI=1S/C9H8ClNOS/c10-8-3-1-7(2-4-8)9-11-5-12-6-13-9/h1-4H,5-6H2"	"AFHWEGXDWKSXKJ-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1097"	"59673-82-4"	"DTXSID60886362"	"Benzoic acid, 2-amino-4-[[(2,5-dichlorophenyl)amino]carbonyl]-, methyl ester"	"EPA_DSSTox"	"COC(=O)C1=C(N)C=C(C=C1)C(=O)NC1=CC(Cl)=CC=C1Cl"	"COC(=O)C1C=CC(=CC=1N)C(=O)NC1=CC(Cl)=CC=C1Cl"	"?"	"InChI=1S/C15H12Cl2N2O3/c1-22-15(21)10-4-2-8(6-12(10)18)14(20)19-13-7-9(16)3-5-11(13)17/h2-7H,18H2,1H3,(H,19,20)"	"SQYUJKVKVFILNB-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1098"	"640-67-5"			"Public_CrossChecked"	"[Mn++].[O-]C(=O)C([O-])=O"	"OC(=O)C(O)=O"	"[Mn+2]"	"InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)"	"MUBZPKHOEPUJKR-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1099"	"64037-26-9"	"DTXSID80214047"	"Benzoxazole, 2,5-diamino-"	"EPA_DSSTox"	"NC1=NC2=C(O1)C=CC(N)=C2"	"NC1C=C2N=C(N)OC2=CC=1"	"?"	"InChI=1S/C7H7N3O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,8H2,(H2,9,10)"	"KGVVXUNDDIZWEL-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1100"	"64951-30-0"	"DTXSID00215258"	"Carbamic acid, (1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-piperidinyl)methyl-, ethyl ester, hydrochloride"	"EPA_DSSTox"	"Cl.CCOC(=O)N(C)C1CCN(CC1)C1=NC2=CC(OC)=C(OC)C=C2C(N)=N1"	"CN(C1CCN(CC1)C1N=C2C=C(OC)C(=CC2=C(N)N=1)OC)C(=O)OCC"	"Cl"	"InChI=1S/C19H27N5O4/c1-5-28-19(25)23(2)12-6-8-24(9-7-12)18-21-14-11-16(27-4)15(26-3)10-13(14)17(20)22-18/h10-12H,5-9H2,1-4H3,(H2,20,21,22)"	"WOGGUPDXQPCHRA-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1101"	"64951-35-5"			"Public_CrossChecked"	"Cl.CCOC(=O)NC1CCCN(C1)c1nc(N)c2cc(OC)c(OC)cc2n1"	"CCOC(=O)NC1CN(CCC1)C1=NC2C=C(OC)C(=CC=2C(N)=N1)OC"	"Cl"	"InChI=1S/C18H25N5O4/c1-4-27-18(24)20-11-6-5-7-23(10-11)17-21-13-9-15(26-3)14(25-2)8-12(13)16(19)22-17/h8-9,11H,4-7,10H2,1-3H3,(H,20,24)(H2,19,21,22)"	"OIXYLLTUBGWUAK-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1102"	"68274-52-2"	"DTXSID40218425"	"6-Quinazolinecarboxylic acid, 1,4-dihydro-2-(2-ethoxy-5-methoxyphenyl)-4-oxo-"	"EPA_DSSTox"	"CCOC1=C(C=C(OC)C=C1)C1=NC(=O)C2=C(N1)C=CC(=C2)C(O)=O"	"COC1C=C(C2NC3=CC=C(C=C3C(=O)N=2)C(O)=O)C(=CC=1)OCC"	"?"	"InChI=1S/C18H16N2O5/c1-3-25-15-7-5-11(24-2)9-13(15)16-19-14-6-4-10(18(22)23)8-12(14)17(21)20-16/h4-9H,3H2,1-2H3,(H,22,23)(H,19,20,21)"	"FKBAPDCFZRVMEI-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1103"	"7152-03-6"	"DTXSID7064576"	"Methanone, cyclopropyl(4-methoxyphenyl)-"	"EPA_DSSTox"	"COC1=CC=C(C=C1)C(=O)C1CC1"	"COC1C=CC(=CC=1)C(=O)C1CC1"	"?"	"InChI=1S/C11H12O2/c1-13-10-6-4-9(5-7-10)11(12)8-2-3-8/h4-8H,2-3H2,1H3"	"YKZSVEVTRUSPOQ-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1104"	"73356-67-9"			"Public_CrossChecked"	"Cn1c2cc(oc2c2ccc(cc12)C(F)(F)F)C(=O)NCCCN1CCCCC1"	"CN1C2C=C(C=CC=2C2OC(=CC1=2)C(=O)NCCCN1CCCCC1)C(F)(F)F"	"?"	"InChI=1S/C21H24F3N3O2/c1-26-16-12-14(21(22,23)24)6-7-15(16)19-17(26)13-18(29-19)20(28)25-8-5-11-27-9-3-2-4-10-27/h6-7,12-13H,2-5,8-11H2,1H3,(H,25,28)"	"BPDXSVFHUFURAC-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1105"	"74226-22-5"	"DTXSID40225215"	"Dazoxiben hydrochloride"	"EPA_DSSTox"	"Cl.OC(=O)C1=CC=C(OCCN2C=CN=C2)C=C1"	"OC(=O)C1C=CC(=CC=1)OCCN1C=NC=C1"	"Cl"	"InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)"	"XQGZSYKGWHUSDH-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1106"	"75274-13-4"	"DTXSID30226236"	"Acetic acid, ((6-(2-methoxyethoxy)-4-pyrimidinyl)amino)oxo-, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)C(=O)NC1=CC(OCCOC)=NC=N1"	"COCCOC1=CC(NC(=O)C(=O)OCC)=NC=N1"	"?"	"InChI=1S/C11H15N3O5/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)"	"HOOZHVDIZZXWGT-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1107"	"75274-17-8"	"DTXSID20226240"	"Acetic acid, ((6-(2-methoxyethoxy)-2-methyl-4-pyrimidinyl)amino)oxo-, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)C(=O)NC1=CC(OCCOC)=NC(C)=N1"	"CC1N=C(C=C(N=1)OCCOC)NC(=O)C(=O)OCC"	"?"	"InChI=1S/C12H17N3O5/c1-4-19-12(17)11(16)15-9-7-10(14-8(2)13-9)20-6-5-18-3/h7H,4-6H2,1-3H3,(H,13,14,15,16)"	"UFUSDQWMAOBKJG-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1108"	"75274-21-4"	"DTXSID60226244"	"Acetic acid, ((6-chloro-4-pyrimidinyl)amino)oxo-, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)C(=O)NC1=CC(Cl)=NC=N1"	"CCOC(=O)C(=O)NC1C=C(Cl)N=CN=1"	"?"	"InChI=1S/C8H8ClN3O3/c1-2-15-8(14)7(13)12-6-3-5(9)10-4-11-6/h3-4H,2H2,1H3,(H,10,11,12,13)"	"OZMPERPPSYTMBL-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1109"	"75274-26-9"	"DTXSID00226248"	"Acetic acid, ((6-((2-methoxyethyl)thio)-2-methyl-4-pyrimidinyl)amino)oxo-, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)C(=O)NC1=CC(SCCOC)=NC(C)=N1"	"CC1N=C(C=C(N=1)SCCOC)NC(=O)C(=O)OCC"	"?"	"InChI=1S/C12H17N3O4S/c1-4-19-12(17)11(16)15-9-7-10(14-8(2)13-9)20-6-5-18-3/h7H,4-6H2,1-3H3,(H,13,14,15,16)"	"MBOFHCHKFUGXBF-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1110"	"76874-95-8"	"DTXSID40227678"	"Benzoic acid, 5-hydroxy-2-((4-hydroxy-3-(trifluoromethyl)phenyl)amino)-"	"EPA_DSSTox"	"OC(=O)C1=C(NC2=CC(=C(O)C=C2)C(F)(F)F)C=CC(O)=C1"	"OC(=O)C1=CC(O)=CC=C1NC1=CC(=C(O)C=C1)C(F)(F)F"	"?"	"InChI=1S/C14H10F3NO4/c15-14(16,17)10-5-7(1-4-12(10)20)18-11-3-2-8(19)6-9(11)13(21)22/h1-6,18-20H,(H,21,22)"	"ZSUPWVOAEVDEBK-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1111"	"78-12-6"			"Public_CrossChecked"	"OC(OCC(COC(O)C(Cl)(Cl)Cl)(COC(O)C(Cl)(Cl)Cl)COC(O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"	"OC(OCC(COC(O)C(Cl)(Cl)Cl)(COC(O)C(Cl)(Cl)Cl)COC(O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C13H16Cl12O8/c14-10(15,16)5(26)30-1-9(2-31-6(27)11(17,18)19,3-32-7(28)12(20,21)22)4-33-8(29)13(23,24)25/h5-8,26-29H,1-4H2"	"OKACKALPXHBEMA-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1112"	"78467-25-1"			"Public_CrossChecked"	"O=C1CCc2c(N1)cccc2OCCCN1CCC(Cc2ccccc2)CC1"	"O=C1CCC2C(=CC=CC=2OCCCN2CCC(CC3C=CC=CC=3)CC2)N1"	"?"	"InChI=1S/C24H30N2O2/c27-24-11-10-21-22(25-24)8-4-9-23(21)28-17-5-14-26-15-12-20(13-16-26)18-19-6-2-1-3-7-19/h1-4,6-9,20H,5,10-18H2,(H,25,27)"	"ZSHZOONYRBYGNV-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1113"	"78467-44-4"	"DTXSID60229098"	"2(1H)-Quinolinone, 4-methyl-7-(3-(4-(phenylmethyl)-1-piperidinyl)propoxy)-"	"EPA_DSSTox"	"CC1=CC(=O)NC2=C1C=CC(OCCCN1CCC(CC3=CC=CC=C3)CC1)=C2"	"CC1=CC(=O)NC2=CC(=CC=C21)OCCCN1CCC(CC2C=CC=CC=2)CC1"	"?"	"InChI=1S/C25H30N2O2/c1-19-16-25(28)26-24-18-22(8-9-23(19)24)29-15-5-12-27-13-10-21(11-14-27)17-20-6-3-2-4-7-20/h2-4,6-9,16,18,21H,5,10-15,17H2,1H3,(H,26,28)"	"ZVIURFHDXIMZNQ-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1114"	"78467-53-5"			"Public_CrossChecked"	"OC(COc1ccc2CCC(=O)Nc2c1)CN1CCC(CC1)c1ccccc1"	"OC(CN1CCC(CC1)C1C=CC=CC=1)COC1=CC2NC(=O)CCC=2C=C1"	"?"	"InChI=1S/C23H28N2O3/c26-20(15-25-12-10-18(11-13-25)17-4-2-1-3-5-17)16-28-21-8-6-19-7-9-23(27)24-22(19)14-21/h1-6,8,14,18,20,26H,7,9-13,15-16H2,(H,24,27)"	"CPXJWPACAUOGMV-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1115"	"78484-03-4"			"Public_CrossChecked"	"[I-].C[N+]1(CC(O)COc2cccc3NC(=O)CCc23)CCC(CC1)c1ccccc1"	"C[N+]1(CC(O)COC2C=CC=C3NC(=O)CCC=23)CCC(CC1)C1C=CC=CC=1"	"[I-]"	"InChI=1S/C24H30N2O3/c1-26(14-12-19(13-15-26)18-6-3-2-4-7-18)16-20(27)17-29-23-9-5-8-22-21(23)10-11-24(28)25-22/h2-9,19-20,27H,10-17H2,1H3/p+1"	"LLQCSNWLMYGVCH-UHFFFAOYSA-O"		"3"	"4"	"FALSE"	"FALSE"
"1116"	"79985-90-3"			"Public_CrossChecked"	"CCCCC(C)OP(=S)(OC)OC"	"CCCCC(C)OP(=S)(OC)OC"	"?"	"InChI=1S/C8H19O3PS/c1-5-6-7-8(2)11-12(13,9-3)10-4/h8H,5-7H2,1-4H3"	"GUJCTFUPYTZUMH-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1117"	"80086-34-6"	"DTXSID00230067"	"1H-Tetrazole-1-butanamide, N,N-diethyl-5-methyl-"	"EPA_DSSTox"	"CCN(CC)C(=O)CCCN1N=NN=C1C"	"CC1=NN=NN1CCCC(=O)N(CC)CC"	"?"	"InChI=1S/C10H19N5O/c1-4-14(5-2)10(16)7-6-8-15-9(3)11-12-13-15/h4-8H2,1-3H3"	"NSFRQXZPDHOYJW-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1118"	"80087-02-1"	"DTXSID90230071"	"Pyridine, 4-((3-((1-methyl-1H-tetrazol-5-yl)thio)propyl)thio)-"	"EPA_DSSTox"	"CN1N=NN=C1SCCCSC1=CC=NC=C1"	"CN1N=NN=C1SCCCSC1C=CN=CC=1"	"?"	"InChI=1S/C10H13N5S2/c1-15-10(12-13-14-15)17-8-2-7-16-9-3-5-11-6-4-9/h3-6H,2,7-8H2,1H3"	"OMHHOYKQSMBZOO-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1119"	"80463-72-5"	"DTXSID90230339"	"Butanamide, N-cyclohexyl-N-ethyl-4-((1-methyl-1H-tetrazol-5-yl)thio)-"	"EPA_DSSTox"	"CCN(C1CCCCC1)C(=O)CCCSC1=NN=NN1C"	"CN1N=NN=C1SCCCC(=O)N(CC)C1CCCCC1"	"?"	"InChI=1S/C14H25N5OS/c1-3-19(12-8-5-4-6-9-12)13(20)10-7-11-21-14-15-16-17-18(14)2/h12H,3-11H2,1-2H3"	"RWGGSNKUNTZVTC-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1120"	"80464-03-5"			"Public_CrossChecked"	"Cn1nnnc1SCCCC(=O)NCc1ccco1"	"CN1N=NN=C1SCCCC(=O)NCC1=CC=CO1"	"?"	"InChI=1S/C11H15N5O2S/c1-16-11(13-14-15-16)19-7-3-5-10(17)12-8-9-4-2-6-18-9/h2,4,6H,3,5,7-8H2,1H3,(H,12,17)"	"IZQBIHAPLPPWQA-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1121"	"80472-73-7"	"DTXSID20230347"	"Pentanamide, N-cyclohexyl-N-ethyl-5-((1-methyl-1H-tetrazol-5-yl)thio)-"	"EPA_DSSTox"	"CCN(C1CCCCC1)C(=O)CCCCSC1=NN=NN1C"	"CN1N=NN=C1SCCCCC(=O)N(CC)C1CCCCC1"	"?"	"InChI=1S/C15H27N5OS/c1-3-20(13-9-5-4-6-10-13)14(21)11-7-8-12-22-15-16-17-18-19(15)2/h13H,3-12H2,1-2H3"	"RDAFXSPQODNGDE-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1122"	"81479-65-4"			"Public_CrossChecked"	"CN1CC(OC(C)=O)N(C1=O)c1cc(no1)C(C)(C)C"	"CN1CC(OC(C)=O)N(C1=O)C1=CC(=NO1)C(C)(C)C"	"?"	"InChI=1S/C13H19N3O4/c1-8(17)19-11-7-15(5)12(18)16(11)10-6-9(14-20-10)13(2,3)4/h6,11H,7H2,1-5H3"	"MIGRYTAVWMQWCF-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1123"	"827-94-1"	"DTXSID7052573"	"2,6-Dibromo-4-nitroaniline"	"EPA_DSSTox"	"NC1=C(Br)C=C(C=C1Br)[N+]([O-])=O"	"NC1C(Br)=CC(=CC=1Br)[N+]([O-])=O"	"?"	"InChI=1S/C6H4Br2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2"	"YMZIFDLWYUSZCC-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1124"	"85697-02-5"	"DTXSID40234983"	"Propanamide, 3-(((1-ethyl-1H-tetrazol-5-yl)methyl)thio)-"	"EPA_DSSTox"	"CCN1N=NN=C1CSCCC(N)=O"	"CCN1N=NN=C1CSCCC(N)=O"	"?"	"InChI=1S/C7H13N5OS/c1-2-12-7(9-10-11-12)5-14-4-3-6(8)13/h2-5H2,1H3,(H2,8,13)"	"DLILMAIALIVQNX-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1125"	"86379-46-6"	"DTXSID2073693"	"Benzamide, N-[[(2,6-difluorophenyl)amino]carbonyl]-2,6-dimethoxy-"	"EPA_DSSTox"	"COC1=CC=CC(OC)=C1C(=O)NC(=O)NC1=C(F)C=CC=C1F"	"COC1C=CC=C(OC)C=1C(=O)NC(=O)NC1C(F)=CC=CC=1F"	"?"	"InChI=1S/C16H14F2N2O4/c1-23-11-7-4-8-12(24-2)13(11)15(21)20-16(22)19-14-9(17)5-3-6-10(14)18/h3-8H,1-2H3,(H2,19,20,21,22)"	"CDDPJKVQPVXRGW-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1126"	"939-97-9"	"DTXSID6027343"	"4-tert-Butylbenzaldehyde"	"EPA_DSSTox"	"CC(C)(C)C1=CC=C(C=O)C=C1"	"CC(C)(C)C1C=CC(C=O)=CC=1"	"?"	"InChI=1S/C11H14O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H3"	"OTXINXDGSUFPNU-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1127"	"96719-44-7"			"Public_CrossChecked"	"FC(F)(F)c1cccc(c1)N1CCc2ccccc2C1c1ccccc1"	"FC(F)(F)C1C=C(C=CC=1)N1CCC2C=CC=CC=2C1C1C=CC=CC=1"	"?"	"InChI=1S/C22H18F3N/c23-22(24,25)18-10-6-11-19(15-18)26-14-13-16-7-4-5-12-20(16)21(26)17-8-2-1-3-9-17/h1-12,15,21H,13-14H2"	"MERSLHVVBXWHTM-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1128"	"96719-48-1"			"Public_CrossChecked"	"COc1ccc2C(N(CCc2c1)c1ccccc1)c1ccccc1Cl"	"COC1=CC2CCN(C(C=2C=C1)C1C=CC=CC=1Cl)C1C=CC=CC=1"	"?"	"InChI=1S/C22H20ClNO/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"	"VTCSPRDLJWCJAP-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1129"	"96719-53-8"			"Public_CrossChecked"	"COc1ccc2C(N(CCc2c1)c1ccccc1)c1cccc(Br)c1"	"COC1=CC2CCN(C(C=2C=C1)C1=CC(Br)=CC=C1)C1C=CC=CC=1"	"?"	"InChI=1S/C22H20BrNO/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"	"XWHBMCPMGHGYPL-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1130"	"96719-61-8"			"Public_CrossChecked"	"COc1ccc2C(N(CCc2c1)c1ccccc1)c1ccc(Cl)cc1"	"COC1=CC2CCN(C(C=2C=C1)C1C=CC(Cl)=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C22H20ClNO/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"	"XNRFDMWERXCITN-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1131"	"96719-66-3"			"Public_CrossChecked"	"Cl.COc1ccc2C(N(CCc2c1)c1ccccc1)c1ccc(O)cc1"	"COC1=CC2CCN(C(C=2C=C1)C1C=CC(O)=CC=1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C22H21NO2/c1-25-20-11-12-21-17(15-20)13-14-23(18-5-3-2-4-6-18)22(21)16-7-9-19(24)10-8-16/h2-12,15,22,24H,13-14H2,1H3"	"ADCYNTGYMHUSED-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1132"	"96719-70-9"			"Public_CrossChecked"	"COc1cc2CCN(C(c3ccccc3F)c2cc1OC)c1ccccc1"	"COC1C=C2CCN(C(C2=CC=1OC)C1C=CC=CC=1F)C1C=CC=CC=1"	"?"	"InChI=1S/C23H22FNO2/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"	"YGUXVCXVUQCACA-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1133"	"97106-80-4"			"Public_CrossChecked"	"COc1ccc2C(N(CCc2c1)c1ccccc1)c1ccccc1F"	"COC1=CC2CCN(C(C=2C=C1)C1C=CC=CC=1F)C1C=CC=CC=1"	"?"	"InChI=1S/C22H20FNO/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"	"CLDQEJBTSNAYIU-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1134"	"98-79-3"	"DTXSID6046260"	"Pidolic acid"	"EPA_DSSTox"	"OC(=O)[C@@H]1CCC(=O)N1"	"OC(=O)C1CCC(=O)N1"	"?"	"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"		"3"	"4"	"FALSE"	"FALSE"
"1135"	"98518-98-0"	"DTXSID50243602"	"1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-1,3-dioxan-2-yl)methyl)-, monohydrochloride"	"EPA_DSSTox"	"Cl.C(N1C=NC=N1)C1(OCCCO1)C1=CC2=CC=CC=C2O1"	"C(N1C=NC=N1)C1(OCCCO1)C1=CC2=CC=CC=C2O1"	"Cl"	"InChI=1S/C15H15N3O3/c1-2-5-13-12(4-1)8-14(21-13)15(19-6-3-7-20-15)9-18-11-16-10-17-18/h1-2,4-5,8,10-11H,3,6-7,9H2"	"QONLNYKQICMQRS-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1136"	"98519-04-1"			"Public_CrossChecked"	"C[C@@H]1CO[C@](Cn2cncn2)(O1)c1cc2cc(Cl)ccc2o1"	"CC1COC(CN2C=NC=N2)(O1)C1=CC2C=C(Cl)C=CC=2O1"	"?"	"InChI=1S/C15H14ClN3O3/c1-10-6-20-15(22-10,7-19-9-17-8-18-19)14-5-11-4-12(16)2-3-13(11)21-14/h2-5,8-10H,6-7H2,1H3"	"LYAZAPNOXZNNCL-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1137"	"98519-16-5"	"DTXSID70243609"	"1H-Imidazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-1,3-dioxan-2-yl)methyl)-"	"EPA_DSSTox"	"ClC1=CC(Cl)=C2OC(=CC2=C1)C1(CN2C=CN=C2)OCCCO1"	"ClC1C=C(Cl)C2OC(=CC=2C=1)C1(CN2C=NC=C2)OCCCO1"	"?"	"InChI=1S/C16H14Cl2N2O3/c17-12-6-11-7-14(23-15(11)13(18)8-12)16(21-4-1-5-22-16)9-20-3-2-19-10-20/h2-3,6-8,10H,1,4-5,9H2"	"CXISOSYBSVEESX-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1138"	"98519-45-0"	"DTXSID90243626"	"1H-Imidazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-, trans-"	"EPA_DSSTox"	"C[C@H]1CO[C@](CN2C=CN=C2)(O1)C1=CC2=CC(Cl)=CC(Cl)=C2O1"	"CC1COC(CN2C=NC=C2)(O1)C1=CC2C=C(Cl)C=C(Cl)C=2O1"	"?"	"InChI=1S/C16H14Cl2N2O3/c1-10-7-21-16(23-10,8-20-3-2-19-9-20)14-5-11-4-12(17)6-13(18)15(11)22-14/h2-6,9-10H,7-8H2,1H3"	"VWKBREMZKXCAND-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1139"	"98532-67-3"	"DTXSID40243636"	"1H-1,2,4-Triazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-1,3-dioxolan-2-yl)methyl)-"	"EPA_DSSTox"	"ClC1=CC(Cl)=C2OC(=CC2=C1)C1(CN2C=NC=N2)OCCO1"	"ClC1C=C(Cl)C2OC(=CC=2C=1)C1(CN2C=NC=N2)OCCO1"	"?"	"InChI=1S/C14H11Cl2N3O3/c15-10-3-9-4-12(22-13(9)11(16)5-10)14(20-1-2-21-14)6-19-8-17-7-18-19/h3-5,7-8H,1-2,6H2"	"DSBJCXOOXAUGCZ-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1140"	"98532-75-3"	"DTXSID60243638"	"1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5,5-dimethyl-1,3-dioxan-2-yl)methyl)-"	"EPA_DSSTox"	"CC1(C)COC(CN2C=NC=N2)(OC1)C1=CC2=CC=CC=C2O1"	"CC1(C)COC(CN2C=NC=N2)(OC1)C1=CC2=CC=CC=C2O1"	"?"	"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"		"3"	"4"	"FALSE"	"FALSE"
"1141"	"98532-83-3"	"DTXSID50243642"	"1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-4-methyl-1,3-dioxan-2-yl)methyl)-, cis-"	"EPA_DSSTox"	"C[C@@H]1CCO[C@](CN2C=NC=N2)(O1)C1=CC2=CC=CC=C2O1"	"CC1CCOC(CN2C=NC=N2)(O1)C1=CC2=CC=CC=C2O1"	"?"	"InChI=1S/C16H17N3O3/c1-12-6-7-20-16(22-12,9-19-11-17-10-18-19)15-8-13-4-2-3-5-14(13)21-15/h2-5,8,10-12H,6-7,9H2,1H3"	"FZLVHAJCOZSNSP-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1142"	"666816-98-4"	"DTXSID40610667"	"8-Bromo-7-(but-2-yn-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione"	"EPA_DSSTox"	"CC#CCN1C(Br)=NC2=C1C(=O)NC(=O)N2C"	"CN1C2N=C(Br)N(CC#CC)C=2C(=O)NC1=O"	"?"	"InChI=1S/C10H9BrN4O2/c1-3-4-5-15-6-7(12-9(15)11)14(2)10(17)13-8(6)16/h5H2,1-2H3,(H,13,16,17)"	"HFZOBQSHTNNKFY-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"1143"	"100402-60-6"	"DTXSID10143255"	"d-Glucose, ether with glycerol"	"EPA_DSSTox"	"OCC(O)CO.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C=O"	"OC(CO)C(O)C(O)C(C=O)OC(C=O)C(O)C(O)C(O)CO"	"OC(CO)CO"	"InChI=1S/C12H22O11/c13-1-5(17)9(19)11(21)7(3-15)23-8(4-16)12(22)10(20)6(18)2-14/h3-14,17-22H,1-2H2"	"SLXLBNNEMBRKON-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1144"	"10109-95-2"	"DTXSID7064948"	"2,5-Dianilinoterephthalic acid"	"EPA_DSSTox"	"OC(=O)C1=CC(NC2=CC=CC=C2)=C(C=C1NC1=CC=CC=C1)C(O)=O"	"OC(=O)C1C=C(NC2C=CC=CC=2)C(=CC=1NC1C=CC=CC=1)C(O)=O"	"?"	"InChI=1S/C20H16N2O4/c23-19(24)15-12-18(22-14-9-5-2-6-10-14)16(20(25)26)11-17(15)21-13-7-3-1-4-8-13/h1-12,21-22H,(H,23,24)(H,25,26)"	"ZJQZWNLKRBUEKX-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1145"	"101708-04-7"	"DTXSID20144137"	"1H-Pyrazolecarboxamide, 4-bromo-5-methyl-N-(3-(trifluoromethyl)phenyl)-"	"EPA_DSSTox"	"CC1=C(Br)C(=NN1)C(=O)NC1=CC=CC(=C1)C(F)(F)F"	"CC1NN=C(C(=O)NC2=CC(=CC=C2)C(F)(F)F)C=1Br"	"?"	"InChI=1S/C12H9BrF3N3O/c1-6-9(13)10(19-18-6)11(20)17-8-4-2-3-7(5-8)12(14,15)16/h2-5H,1H3,(H,17,20)(H,18,19)"	"SAVMNLAMXVSNRW-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1146"	"102-04-5"	"DTXSID5059244"	"2-Propanone, 1,3-diphenyl-"	"EPA_DSSTox"	"O=C(CC1=CC=CC=C1)CC1=CC=CC=C1"	"O=C(CC1C=CC=CC=1)CC1C=CC=CC=1"	"?"	"InChI=1S/C15H14O/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2"	"YFKBXYGUSOXJGS-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1147"	"103201-78-1"	"DTXSID70431160"	"trans-4-Cyclohexyl-L-proline"	"EPA_DSSTox"	"OC(=O)[C@@H]1C[C@H](CN1)C1CCCCC1"	"OC(=O)C1CC(CN1)C1CCCCC1"	"?"	"InChI=1S/C11H19NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)"	"XRZWVSXEDRYQGC-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1148"	"104801-96-9"	"DTXSID80451930"	"(3S,4S,6R)-3-Hexyl-4-hydroxy-6-undecyloxan-2-one (non-preferred name)"	"EPA_DSSTox"	"CCCCCCCCCCC[C@@H]1C[C@H](O)[C@H](CCCCCC)C(=O)O1"	"CCCCCCCCCCCC1CC(O)C(CCCCCC)C(=O)O1"	"?"	"InChI=1S/C22H42O3/c1-3-5-7-9-10-11-12-13-14-16-19-18-21(23)20(22(24)25-19)17-15-8-6-4-2/h19-21,23H,3-18H2,1-2H3"	"LRXRIVSWHMVULO-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1149"	"105-74-8"	"DTXSID1059319"	"Peroxide, bis(1-oxododecyl)"	"EPA_DSSTox"	"CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC"	"CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC"	"?"	"InChI=1S/C24H46O4/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-28-24(26)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3"	"YIVJZNGAASQVEM-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1150"	"106-94-5"	"DTXSID6021874"	"1-Bromopropane"	"EPA_DSSTox"	"CCCBr"	"CCCBr"	"?"	"InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3"	"CYNYIHKIEHGYOZ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1151"	"109-13-7"	"DTXSID1059363"	"Propaneperoxoic acid, 2-methyl-, 1,1-dimethylethyl ester"	"EPA_DSSTox"	"CC(C)C(=O)OOC(C)(C)C"	"CC(C)C(=O)OOC(C)(C)C"	"?"	"InChI=1S/C8H16O3/c1-6(2)7(9)10-11-8(3,4)5/h6H,1-5H3"	"PFBLRDXPNUJYJM-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1152"	"110-53-2"	"DTXSID3049203"	"1-Bromopentane"	"EPA_DSSTox"	"CCCCCBr"	"CCCCCBr"	"?"	"InChI=1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3"	"YZWKKMVJZFACSU-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1153"	"111-05-7"	"DTXSID90883304"	"9-Octadecenamide, N-(2-hydroxypropyl)-, (9Z)-"	"EPA_DSSTox"	"CCCCCCCC\C=C/CCCCCCCC(=O)NCC(C)O"	"CCCCCCCCC=CCCCCCCCC(=O)NCC(C)O"	"?"	"InChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)22-19-20(2)23/h10-11,20,23H,3-9,12-19H2,1-2H3,(H,22,24)"	"UDZAXLGLNUMCRX-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1154"	"111696-23-2"	"DTXSID1048590"	"Cefetamet pivoxil HCl"	"EPA_DSSTox"	"Cl.CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(C)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)C1=CSC(N)=N1"	"CC1CSC2C(NC(=O)C(=NOC)C3=CSC(N)=N3)C(=O)N2C=1C(=O)OCOC(=O)C(C)(C)C"	"Cl"	"InChI=1S/C20H25N5O7S2/c1-9-6-33-16-12(23-14(26)11(24-30-5)10-7-34-19(21)22-10)15(27)25(16)13(9)17(28)31-8-32-18(29)20(2,3)4/h7,12,16H,6,8H2,1-5H3,(H2,21,22)(H,23,26)"	"DASYMCLQENWCJG-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1155"	"112-39-0"	"DTXSID4029149"	"Methyl hexadecanoate"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCC(=O)OC"	"CCCCCCCCCCCCCCCC(=O)OC"	"?"	"InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3"	"FLIACVVOZYBSBS-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1156"	"112764-00-8"	"DTXSID00715743"	"3-Hexyl-4-hydroxy-6-undecyl-5,6-dihydro-2H-pyran-2-one"	"EPA_DSSTox"	"CCCCCCCCCCCC1CC(O)=C(CCCCCC)C(=O)O1"	"CCCCCCCCCCCC1CC(O)=C(CCCCCC)C(=O)O1"	"?"	"InChI=1S/C22H40O3/c1-3-5-7-9-10-11-12-13-14-16-19-18-21(23)20(22(24)25-19)17-15-8-6-4-2/h19,23H,3-18H2,1-2H3"	"BLXCWAINNUGTQE-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1157"	"114772-54-2"	"DTXSID30363559"	"4'-Bromomethyl-2-cyanobiphenyl"	"EPA_DSSTox"	"BrCC1=CC=C(C=C1)C1=CC=CC=C1C#N"	"N#CC1=CC=CC=C1C1C=CC(CBr)=CC=1"	"?"	"InChI=1S/C14H10BrN/c15-9-11-5-7-12(8-6-11)14-4-2-1-3-13(14)10-16/h1-8H,9H2"	"LFFIEVAMVPCZNA-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1158"	"116337-61-2"	"DTXSID30151357"	"2H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-4-methyl-"	"EPA_DSSTox"	"CN1C(=O)COC2=C1C=CC(=C2)C(=O)C1=CC=CC=C1"	"CN1C2C=CC(=CC=2OCC1=O)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C16H13NO3/c1-17-13-8-7-12(9-14(13)20-10-15(17)18)16(19)11-5-3-2-4-6-11/h2-9H,10H2,1H3"	"HTYIAUSIYYSNMN-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1159"	"116337-66-7"	"DTXSID20151361"	"2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-4-methyl-"	"EPA_DSSTox"	"CN1C(=O)COC2=C1C=CC(=C2)C(=O)C1=CC=C(Cl)C=C1"	"CN1C2C=CC(=CC=2OCC1=O)C(=O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C16H12ClNO3/c1-18-13-7-4-11(8-14(13)21-9-15(18)19)16(20)10-2-5-12(17)6-3-10/h2-8H,9H2,1H3"	"COBYWFSQIXISJJ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1160"	"116337-73-6"	"DTXSID20151366"	"2H-1,4-Benzoxazin-3(4H)-one, 4-methyl-7-(1-oxobutyl)-"	"EPA_DSSTox"	"CCCC(=O)C1=CC2=C(C=C1)N(C)C(=O)CO2"	"CCCC(=O)C1=CC2OCC(=O)N(C)C=2C=C1"	"?"	"InChI=1S/C13H15NO3/c1-3-4-11(15)9-5-6-10-12(7-9)17-8-13(16)14(10)2/h5-7H,3-4,8H2,1-2H3"	"UQLUXLRYULISKR-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1161"	"117570-93-1"	"DTXSID40564999"	"2-[2-(Carboxymethyl)phenoxy]-3,4-dimethylbenzoic acid"	"EPA_DSSTox"	"CC1=C(C)C(OC2=CC=CC=C2CC(O)=O)=C(C=C1)C(O)=O"	"CC1C=CC(=C(OC2=CC=CC=C2CC(O)=O)C=1C)C(O)=O"	"?"	"InChI=1S/C17H16O5/c1-10-7-8-13(17(20)21)16(11(10)2)22-14-6-4-3-5-12(14)9-15(18)19/h3-8H,9H2,1-2H3,(H,18,19)(H,20,21)"	"QVNLAQHWWITQLH-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1162"	"119-80-2"	"DTXSID1059498"	"Benzoic acid, 2,2'-dithiobis-"	"EPA_DSSTox"	"OC(=O)C1=C(SSC2=C(C=CC=C2)C(O)=O)C=CC=C1"	"OC(=O)C1C=CC=CC=1SSC1C=CC=CC=1C(O)=O"	"?"	"InChI=1S/C14H10O4S2/c15-13(16)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(17)18/h1-8H,(H,15,16)(H,17,18)"	"LBEMXJWGHIEXRA-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1163"	"120202-68-8"	"DTXSID30621848"	"(2-Chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acid--(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonic acid (1/1)"	"EPA_DSSTox"	"[H]C12CCC(CS(O)(=O)=O)(C(=O)C1)C2(C)C.OC(=O)C(N1CCC2=C(C1)C=CS2)C1=CC=CC=C1Cl"	"OC(=O)C(C1=CC=CC=C1Cl)N1CC2C=CSC=2CC1"	"S(O)(=O)(=O)CC12C(C)(C)C(CC1)CC2=O"	"InChI=1S/C15H14ClNO2S/c16-12-4-2-1-3-11(12)14(15(18)19)17-7-5-13-10(9-17)6-8-20-13/h1-4,6,8,14H,5,7,9H2,(H,18,19)"	"DCASRSISIKYPDD-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1164"	"122892-31-3"	"DTXSID5046693"	"Itopride hydrochloride"	"EPA_DSSTox"	"Cl.COC1=CC=C(C=C1OC)C(=O)NCC1=CC=C(OCCN(C)C)C=C1"	"COC1=CC=C(C=C1OC)C(=O)NCC1C=CC(=CC=1)OCCN(C)C"	"Cl"	"InChI=1S/C20H26N2O4/c1-22(2)11-12-26-17-8-5-15(6-9-17)14-21-20(23)16-7-10-18(24-3)19(13-16)25-4/h5-10,13H,11-12,14H2,1-4H3,(H,21,23)"	"QQQIECGTIMUVDS-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1165"	"123172-47-4"	"DTXSID80153881"	"1-Butanone, 1-(4-amino-3-hydroxyphenyl)-"	"EPA_DSSTox"	"CCCC(=O)C1=CC(O)=C(N)C=C1"	"CCCC(=O)C1=CC(O)=C(N)C=C1"	"?"	"InChI=1S/C10H13NO2/c1-2-3-9(12)7-4-5-8(11)10(13)6-7/h4-6,13H,2-3,11H2,1H3"	"NLAPTLUVVJSIHL-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1166"	"123172-51-0"			"Public_CrossChecked"	"CC1Oc2cc(ccc2NC1=O)C(=O)c1ccc(Cl)cc1"	"CC1OC2C=C(C=CC=2NC1=O)C(=O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C16H12ClNO3/c1-9-16(20)18-13-7-4-11(8-14(13)21-9)15(19)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,18,20)"	"MAQISQMPSBDBBP-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1167"	"123172-55-4"			"Public_CrossChecked"	"CC1Oc2cc(ccc2N(C)C1=O)C(C)=O"	"CC(=O)C1=CC2OC(C)C(=O)N(C)C=2C=C1"	"?"	"InChI=1S/C12H13NO3/c1-7(14)9-4-5-10-11(6-9)16-8(2)12(15)13(10)3/h4-6,8H,1-3H3"	"PQGQSPZMCPKUQZ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1168"	"123172-60-1"			"Public_CrossChecked"	"CC1Oc2cc(ccc2N(C)C1=O)C(=O)C=Cc1ccc(Cl)cc1"	"CC1OC2C=C(C=CC=2N(C)C1=O)C(=O)C=CC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C19H16ClNO3/c1-12-19(23)21(2)16-9-6-14(11-18(16)24-12)17(22)10-5-13-3-7-15(20)8-4-13/h3-12H,1-2H3"	"CLJAAKBBMNXOSB-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1169"	"123172-64-5"			"Public_CrossChecked"	"CN1C(=O)C(C)(C)Oc2cc(ccc12)C(=O)C=Cc1ccc(O)cc1"	"CN1C2C=CC(=CC=2OC(C)(C)C1=O)C(=O)C=CC1C=CC(O)=CC=1"	"?"	"InChI=1S/C20H19NO4/c1-20(2)19(24)21(3)16-10-7-14(12-18(16)25-20)17(23)11-6-13-4-8-15(22)9-5-13/h4-12,22H,1-3H3"	"LQCQXGKWFYMWIN-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1170"	"125971-95-1"	"DTXSID70436296"	"tert-Butyl [(4R,6R)-6-{2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate"	"EPA_DSSTox"	"CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1)C1=CC=C(F)C=C1)C1=CC=CC=C1"	"CC(C)(C)OC(=O)CC1CC(CCN2C(C(C)C)=C(C(=C2C2=CC=C(F)C=C2)C2C=CC=CC=2)C(=O)NC2C=CC=CC=2)OC(C)(C)O1"	"?"	"InChI=1S/C40H47FN2O5/c1-26(2)36-35(38(45)42-30-16-12-9-13-17-30)34(27-14-10-8-11-15-27)37(28-18-20-29(41)21-19-28)43(36)23-22-31-24-32(47-40(6,7)46-31)25-33(44)48-39(3,4)5/h8-21,26,31-32H,22-25H2,1-7H3,(H,42,45)"	"NPPZOMYSGNZDKY-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1171"	"1262985-24-9"	"DTXSID80679576"	"N-{3-[5-Bromo-1-(2,6-dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide"	"EPA_DSSTox"	"CCCS(=O)(=O)NC1=C(F)C(C(=O)C2=CN(C(=O)C3=C(Cl)C=CC=C3Cl)C3=C2C=C(Br)C=N3)=C(F)C=C1"	"CCCS(=O)(=O)NC1C=CC(F)=C(C(=O)C2=CN(C3N=CC(Br)=CC2=3)C(=O)C2C(Cl)=CC=CC=2Cl)C=1F"	"?"	"InChI=1S/C24H16BrCl2F2N3O4S/c1-2-8-37(35,36)31-18-7-6-17(28)20(21(18)29)22(33)14-11-32(23-13(14)9-12(25)10-30-23)24(34)19-15(26)4-3-5-16(19)27/h3-7,9-11,31H,2,8H2,1H3"	"UNMVKSILGFGKIZ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1172"	"128119-70-0"	"DTXSID4051322"	"1-Propanol, 2-methyl-3-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]-"	"EPA_DSSTox"	"CC(CO)COC1CC2CCC1(C)C2(C)C"	"CC1(C)C2CC(OCC(C)CO)C1(C)CC2"	"?"	"InChI=1S/C14H26O2/c1-10(8-15)9-16-12-7-11-5-6-14(12,4)13(11,2)3/h10-12,15H,5-9H2,1-4H3"	"YCOHHRPARVZBHK-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1173"	"131631-89-5"			"Public_CrossChecked"	"CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12"	"CC(=O)NCCCOC1C=CC(=CC=1)C(=O)N1CCC(CC1)N1C2C=CC=CC=2CCC1=O"	"?"	"InChI=1S/C26H31N3O4/c1-19(30)27-15-4-18-33-23-10-7-21(8-11-23)26(32)28-16-13-22(14-17-28)29-24-6-3-2-5-20(24)9-12-25(29)31/h2-3,5-8,10-11,22H,4,9,12-18H2,1H3,(H,27,30)"	"KSNUCNRMDYJBKT-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1174"	"133914-85-9"	"DTXSID00158419"	"4(3H)-Pteridinone, 2-(ethoxymethyl)-"	"EPA_DSSTox"	"CCOCC1=NC(=O)C2=NC=CN=C2N1"	"CCOCC1NC2=NC=CN=C2C(=O)N=1"	"?"	"InChI=1S/C9H10N4O2/c1-2-15-5-6-12-8-7(9(14)13-6)10-3-4-11-8/h3-4H,2,5H2,1H3,(H,11,12,13,14)"	"SFWVULIFVPNTOF-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1175"	"13501-76-3"	"DTXSID00159204"	"(3-Chloropropyl)diethoxymethylsilane"	"EPA_DSSTox"	"CCO[Si](C)(CCCCl)OCC"	"C[Si](CCCCl)(OCC)OCC"	"?"	"InChI=1S/C8H19ClO2Si/c1-4-10-12(3,11-5-2)8-6-7-9/h4-8H2,1-3H3"	"KEZMLECYELSZDC-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1176"	"137521-47-2"			"Public_CrossChecked"	"CNC(=O)C(=NNc1ccccc1)C(C)=O"	"CC(=O)C(N=NC1C=CC=CC=1)C(=O)NC"	"?"	"InChI=1S/C11H13N3O2/c1-8(15)10(11(16)12-2)14-13-9-6-4-3-5-7-9/h3-7,10H,1-2H3,(H,12,16)"	"LELJMRFUXBDBNM-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1177"	"137521-51-8"			"Public_CrossChecked"	"CNC(=O)C(=NNc1ccccc1Cl)C(C)=O"	"CC(=O)C(N=NC1C=CC=CC=1Cl)C(=O)NC"	"?"	"InChI=1S/C11H12ClN3O2/c1-7(16)10(11(17)13-2)15-14-9-6-4-3-5-8(9)12/h3-6,10H,1-2H3,(H,13,17)"	"CFWPPYDDNDZSPL-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1178"	"137521-55-2"			"Public_CrossChecked"	"CNC(=O)C(=NNc1ccc(Cl)c(Cl)c1)C(C)=O"	"CC(=O)C(N=NC1=CC(Cl)=C(Cl)C=C1)C(=O)NC"	"?"	"InChI=1S/C11H11Cl2N3O2/c1-6(17)10(11(18)14-2)16-15-7-3-4-8(12)9(13)5-7/h3-5,10H,1-2H3,(H,14,18)"	"FMSRIDFSVXBYHH-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1179"	"137521-59-6"			"Public_CrossChecked"	"CNC(=O)C(=NNc1ccc(OC)cc1[N+]([O-])=O)C(C)=O"	"CC(=O)C(N=NC1C=CC(=CC=1[N+]([O-])=O)OC)C(=O)NC"	"?"	"InChI=1S/C12H14N4O5/c1-7(17)11(12(18)13-2)15-14-9-5-4-8(21-3)6-10(9)16(19)20/h4-6,11H,1-3H3,(H,13,18)"	"IMUACABZWYQKPZ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1180"	"137862-53-4"	"DTXSID6023735"	"Valsartan"	"EPA_DSSTox"	"CCCCC(=O)N(CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN=NN1)[C@H](C(C)C)C(O)=O"	"CC(C)C(C(O)=O)N(CC1C=CC(=CC=1)C1=CC=CC=C1C1NN=NN=1)C(=O)CCCC"	"?"	"InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)"	"ACWBQPMHZXGDFX-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1181"	"139147-73-2"	"DTXSID20446128"	"DICYCLOPENTYLDICHLOROSILANE"	"EPA_DSSTox"	"Cl[Si](Cl)(C1CCCC1)C1CCCC1"	"Cl[Si](Cl)(C1CCCC1)C1CCCC1"	"?"	"InChI=1S/C10H18Cl2Si/c11-13(12,9-5-1-2-6-9)10-7-3-4-8-10/h9-10H,1-8H2"	"DRMVGLWQJKLGKR-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1182"	"141573-96-8"	"DTXSID70571737"	"3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carbonyl chloride"	"EPA_DSSTox"	"CN1C=C(C(Cl)=O)C(=N1)C(F)F"	"CN1C=C(C(=O)Cl)C(=N1)C(F)F"	"?"	"InChI=1S/C6H5ClF2N2O/c1-11-2-3(5(7)12)4(10-11)6(8)9/h2,6H,1H3"	"MZGPCLIDFPCPTI-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1183"	"142646-10-4"	"DTXSID80162115"	"Carbamic acid, (((2-nitro-4-(phenylmethoxy)phenyl)amino)thioxomethyl)-, methyl ester"	"EPA_DSSTox"	"COC(=O)NC(=S)NC1=C(C=C(OCC2=CC=CC=C2)C=C1)[N+]([O-])=O"	"COC(=O)NC(=S)NC1C=CC(=CC=1[N+]([O-])=O)OCC1C=CC=CC=1"	"?"	"InChI=1S/C16H15N3O5S/c1-23-16(20)18-15(25)17-13-8-7-12(9-14(13)19(21)22)24-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,17,18,20,25)"	"HKNLSQCEYUNPNG-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1184"	"144-15-0"	"DTXSID80883333"	"1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-tris(2-ethylhexyl) ester"	"EPA_DSSTox"	"CCCCC(CC)COC(=O)CC(CC(=O)OCC(CC)CCCC)(OC(C)=O)C(=O)OCC(CC)CCCC"	"CC(=O)OC(CC(=O)OCC(CCCC)CC)(CC(=O)OCC(CCCC)CC)C(=O)OCC(CCCC)CC"	"?"	"InChI=1S/C32H58O8/c1-8-14-17-26(11-4)22-37-29(34)20-32(40-25(7)33,31(36)39-24-28(13-6)19-16-10-3)21-30(35)38-23-27(12-5)18-15-9-2/h26-28H,8-24H2,1-7H3"	"FRDNONBEXWDRDM-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1185"	"144702-27-2"	"DTXSID20162790"	"2-Descarboxy-2-cyano telmisartan"	"EPA_DSSTox"	"CCCC1=NC2=C(C=C(C=C2C)C2=NC3=CC=CC=C3N2C)N1CC1=CC=C(C=C1)C1=CC=CC=C1C#N"	"CN1C(=NC2C=CC=CC1=2)C1C=C(C)C2N=C(CCC)N(CC3C=CC(=CC=3)C3C=CC=CC=3C#N)C=2C=1"	"?"	"InChI=1S/C33H29N5/c1-4-9-31-36-32-22(2)18-26(33-35-28-12-7-8-13-29(28)37(33)3)19-30(32)38(31)21-23-14-16-24(17-15-23)27-11-6-5-10-25(27)20-34/h5-8,10-19H,4,9,21H2,1-3H3"	"XIEVZYAEXURSHX-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1186"	"1458-18-0"	"DTXSID8057645"	"Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate"	"EPA_DSSTox"	"COC(=O)C1=NC(Cl)=C(Cl)N=C1N"	"COC(=O)C1=NC(Cl)=C(Cl)N=C1N"	"?"	"InChI=1S/C6H5Cl2N3O2/c1-13-6(12)2-5(9)11-4(8)3(7)10-2/h1H3,(H2,9,11)"	"USYMCUGEGUFUBI-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1187"	"148040-04-4"	"DTXSID30163874"	"TEI 1365"	"EPA_DSSTox"	"COC(=O)C1=C(C2=C(F)C=CC(=C2)[N+]([O-])=O)C(C(O)=O)=C(C)N=C1C"	"CC1=NC(C)=C(C(O)=O)C(=C1C(=O)OC)C1C=C(C=CC=1F)[N+]([O-])=O"	"?"	"InChI=1S/C16H13FN2O6/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/h4-6H,1-3H3,(H,20,21)"	"KWDFKWDTUPMVNM-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1188"	"151390-79-3"	"DTXSID80164775"	"DV 7751a"	"EPA_DSSTox"	"C[C@H]1COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1C[C@@H](N)C2(CCC2)C1"	"CC1COC2=C3C(=CC(F)=C2N2CC(N)C4(C2)CCC4)C(=O)C(=CN31)C(O)=O"	"?"	"InChI=1S/C20H22FN3O4/c1-10-8-28-18-15-11(17(25)12(19(26)27)6-24(10)15)5-13(21)16(18)23-7-14(22)20(9-23)3-2-4-20/h5-6,10,14H,2-4,7-9,22H2,1H3,(H,26,27)"	"UGGPRXAHUOKTKV-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1189"	"152264-72-7"	"DTXSID10164985"	"1H-Isoindole-1,3(2H)-dione, 5-(bis(4-chlorophenyl)amino)-2-(3-pyridinylmethyl)-"	"EPA_DSSTox"	"ClC1=CC=C(C=C1)N(C1=CC=C(Cl)C=C1)C1=CC2=C(C=C1)C(=O)N(CC1=CN=CC=C1)C2=O"	"O=C1C2C=C(C=CC=2C(=O)N1CC1C=NC=CC=1)N(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C26H17Cl2N3O2/c27-18-3-7-20(8-4-18)31(21-9-5-19(28)6-10-21)22-11-12-23-24(14-22)26(33)30(25(23)32)16-17-2-1-13-29-15-17/h1-15H,16H2"	"LXIOJVSXCZJPEZ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1190"	"154212-59-6"	"DTXSID60165568"	"5-Hydroxymethylthiazole 4-nitrophenylcarbonate hydrochloride"	"EPA_DSSTox"	"Cl.[O-][N+](=O)C1=CC=C(OC(=O)OCC2=CN=CS2)C=C1"	"[O-][N+](=O)C1C=CC(=CC=1)OC(=O)OCC1=CN=CS1"	"Cl"	"InChI=1S/C11H8N2O5S/c14-11(17-6-10-5-12-7-19-10)18-9-3-1-8(2-4-9)13(15)16/h1-5,7H,6H2"	"FTEKBGGQRNJIPQ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1191"	"156755-23-6"	"DTXSID80387841"	"6-bromo-4-phenylchroman-2-one"	"EPA_DSSTox"	"BrC1=CC2=C(OC(=O)CC2C2=CC=CC=C2)C=C1"	"O=C1CC(C2=CC(Br)=CC=C2O1)C1C=CC=CC=1"	"?"	"InChI=1S/C15H11BrO2/c16-11-6-7-14-13(8-11)12(9-15(17)18-14)10-4-2-1-3-5-10/h1-8,12H,9H2"	"KFKFQGCDFMGUCH-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1192"	"15993-42-7"	"DTXSID90864653"	"Butanamide, N-(5-chloro-2-methoxyphenyl)-2-[2-(2-methoxy-4-nitrophenyl)diazenyl]-3-oxo-"	"EPA_DSSTox"	"COC1=CC=C(Cl)C=C1NC(=O)C(N=NC1=CC=C(C=C1OC)[N+]([O-])=O)C(C)=O"	"CC(=O)C(N=NC1C=CC(=CC=1OC)[N+]([O-])=O)C(=O)NC1C=C(Cl)C=CC=1OC"	"?"	"InChI=1S/C18H17ClN4O6/c1-10(24)17(18(25)20-14-8-11(19)4-7-15(14)28-2)22-21-13-6-5-12(23(26)27)9-16(13)29-3/h4-9,17H,1-3H3,(H,20,25)"	"AYOFXUHULUCJBF-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1193"	"1624-62-0"	"DTXSID40167368"	"Estrone 3-methyl ether"	"EPA_DSSTox"	"COC1=CC2=C(C=C1)[C@H]1CC[C@@]3(C)[C@@H](CCC3=O)[C@@H]1CC2"	"COC1=CC2CCC3C4CCC(=O)C4(C)CCC3C=2C=C1"	"?"	"InChI=1S/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3"	"BCWWDWHFBMPLFQ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1194"	"1638-86-4"	"DTXSID8061840"	"Phosphonous acid, phenyl-, diethyl ester"	"EPA_DSSTox"	"CCOP(OCC)C1=CC=CC=C1"	"CCOP(OCC)C1C=CC=CC=1"	"?"	"InChI=1S/C10H15O2P/c1-3-11-13(12-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3"	"RVDJLKVICMLVJQ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1195"	"17273-79-9"	"DTXSID10635605"	"Sodium naphthalene-2-carboxylate"	"EPA_DSSTox"	"[Na+].[O-]C(=O)C1=CC2=CC=CC=C2C=C1"	"OC(=O)C1C=C2C=CC=CC2=CC=1"	"[Na+]"	"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"		"3"	"5"	"FALSE"	"TRUE"
"1196"	"176969-34-9"	"DTXSID80597105"	"3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid"	"EPA_DSSTox"	"CN1C=C(C(O)=O)C(=N1)C(F)F"	"CN1C=C(C(O)=O)C(=N1)C(F)F"	"?"	"InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)"	"RLOHOBNEYHBZID-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1197"	"18395-30-7"	"DTXSID1066366"	"Silane, trimethoxy(2-methylpropyl)-"	"EPA_DSSTox"	"CO[Si](CC(C)C)(OC)OC"	"CC(C)C[Si](OC)(OC)OC"	"?"	"InChI=1S/C7H18O3Si/c1-7(2)6-11(8-3,9-4)10-5/h7H,6H2,1-5H3"	"XYJRNCYWTVGEEG-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1198"	"190442-10-5"			"Public_CrossChecked"	"CC(=O)Oc1ccccc1C(=O)Oc1cccc(CO[N+]([O-])=O)c1"	"CC(=O)OC1C=CC=CC=1C(=O)OC1C=CC=C(CO[N+]([O-])=O)C=1"	"?"	"InChI=1S/C16H13NO7/c1-11(18)23-15-8-3-2-7-14(15)16(19)24-13-6-4-5-12(9-13)10-22-17(20)21/h2-9H,10H2,1H3"	"IOJUJUOXKXMJNF-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1199"	"19444-84-9"			"Public_CrossChecked"	"OC1CCOC1=O"	"OC1OCCC1=O"	"?"	"InChI=1S/C4H6O3/c5-3-1-2-7-4(3)6/h4,6H,1-2H2"	"JQIIGVQREAWZBF-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1200"	"2002-29-1"	"DTXSID7049005"	"Flumethasone pivalate"	"EPA_DSSTox"	"C[C@@H]1C[C@H]2C3C[C@H](F)C4=CC(=O)C=CC4(C)[C@@]3(F)[C@@H](O)CC2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C"	"CC(C)(C)C(=O)OCC(=O)C1(O)C(C)CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC12C"	"?"	"InChI=1S/C27H36F2O6/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-24(18,5)26(17,29)20(31)12-25(16,6)27(14,34)21(32)13-35-22(33)23(2,3)4/h7-8,10,14,16-17,19-20,31,34H,9,11-13H2,1-6H3"	"JWRMHDSINXPDHB-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1201"	"20485-39-6"	"DTXSID40174451"	"Ethyl 4-methyloxazole-5-carboxylate"	"EPA_DSSTox"	"CCOC(=O)C1=C(C)N=CO1"	"CC1N=COC=1C(=O)OCC"	"?"	"InChI=1S/C7H9NO3/c1-3-10-7(9)6-5(2)8-4-11-6/h4H,3H2,1-2H3"	"XNMORZSEENWFLI-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1202"	"20723-85-7"	"DTXSID00174795"	"Anthranilic acid, N-2,3-xylyl-, o-methoxyphenyl ester"	"EPA_DSSTox"	"COC1=CC=CC=C1OC(=O)C1=CC=CC=C1NC1=CC=CC(C)=C1C"	"COC1C=CC=CC=1OC(=O)C1C=CC=CC=1NC1C=CC=C(C)C=1C"	"?"	"InChI=1S/C22H21NO3/c1-15-9-8-12-18(16(15)2)23-19-11-5-4-10-17(19)22(24)26-21-14-7-6-13-20(21)25-3/h4-14,23H,1-3H3"	"QAVPLSMHPGKHQO-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1203"	"20943-49-1"	"DTXSID40175120"	"Benzoic acid, p-(3-methoxy-1H-indazol-1-yl)-, butyl ester"	"EPA_DSSTox"	"CCCCOC(=O)C1=CC=C(C=C1)N1N=C(OC)C2=CC=CC=C12"	"COC1=NN(C2C=CC=CC=21)C1C=CC(=CC=1)C(=O)OCCCC"	"?"	"InChI=1S/C19H20N2O3/c1-3-4-13-24-19(22)14-9-11-15(12-10-14)21-17-8-6-5-7-16(17)18(20-21)23-2/h5-12H,3-4,13H2,1-2H3"	"LYGMPMRHVUJMFC-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1204"	"21743-27-1"	"DTXSID30885180"	"Morpholine, 4-[(triethoxysilyl)methyl]-"	"EPA_DSSTox"	"CCO[Si](CN1CCOCC1)(OCC)OCC"	"CCO[Si](CN1CCOCC1)(OCC)OCC"	"?"	"InChI=1S/C11H25NO4Si/c1-4-14-17(15-5-2,16-6-3)11-12-7-9-13-10-8-12/h4-11H2,1-3H3"	"UOCZMUZYGLTGHO-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1205"	"22260-51-1"	"DTXSID6020197"	"Bromocriptine mesylate"	"EPA_DSSTox"	"CS(O)(=O)=O.CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C"	"CN1CC(C=C2C1CC1=C(Br)NC3C=CC=C2C1=3)C(=O)NC1(OC2(O)C3CCCN3C(=O)C(CC(C)C)N2C1=O)C(C)C"	"CS(=O)(=O)O"	"InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)"	"OZVBMTJYIDMWIL-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1206"	"2362-14-3"	"DTXSID2074954"	"Phenol, 4,4'-cyclohexylidenebis[2-methyl-"	"EPA_DSSTox"	"CC1=C(O)C=CC(=C1)C1(CCCCC1)C1=CC(C)=C(O)C=C1"	"CC1C=C(C=CC=1O)C1(CCCCC1)C1=CC(C)=C(O)C=C1"	"?"	"InChI=1S/C20H24O2/c1-14-12-16(6-8-18(14)21)20(10-4-3-5-11-20)17-7-9-19(22)15(2)13-17/h6-9,12-13,21-22H,3-5,10-11H2,1-2H3"	"SVOBELCYOCEECO-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1207"	"23949-66-8"	"DTXSID1066944"	"Ethanediamide, N-(2-ethoxyphenyl)-N'-(2-ethylphenyl)-"	"EPA_DSSTox"	"CCOC1=C(NC(=O)C(=O)NC2=C(CC)C=CC=C2)C=CC=C1"	"CCOC1C=CC=CC=1NC(=O)C(=O)NC1C=CC=CC=1CC"	"?"	"InChI=1S/C18H20N2O3/c1-3-13-9-5-6-10-14(13)19-17(21)18(22)20-15-11-7-8-12-16(15)23-4-2/h5-12H,3-4H2,1-2H3,(H,19,21)(H,20,22)"	"YIMHRDBSVCPJOV-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1208"	"2437-25-4"	"DTXSID1022188"	"Dodecanenitrile"	"EPA_DSSTox"	"CCCCCCCCCCCC#N"	"CCCCCCCCCCCC#N"	"?"	"InChI=1S/C12H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-11H2,1H3"	"VXCUURYYWGCLIH-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1209"	"2489-05-6"	"DTXSID6062460"	"Silver behenate"	"EPA_DSSTox"	"[Ag+].CCCCCCCCCCCCCCCCCCCCCC([O-])=O"	"CCCCCCCCCCCCCCCCCCCCCC(O)=O"	"[Ag+]"	"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"		"3"	"5"	"FALSE"	"TRUE"
"1210"	"2517-43-3"	"DTXSID0044812"	"3-Methoxybutan-1-ol"	"EPA_DSSTox"	"COC(C)CCO"	"COC(C)CCO"	"?"	"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3"	"JSGVZVOGOQILFM-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1211"	"25628-08-4"	"DTXSID30880236"	"N,N,N,-Triethylethanaminium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate"	"EPA_DSSTox"	"CC[N+](CC)(CC)C(C)OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	"CC(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[N+](CC)(CC)CC"	"?"	"InChI=1S/C12H19F9NO3S/c1-5-22(6-2,7-3)8(4)25-26(23,24)12(20,21)10(15,16)9(13,14)11(17,18)19/h8H,5-7H2,1-4H3/q+1"	"YHJYQOPSLSJYOP-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1212"	"262368-30-9"	"DTXSID30620235"	"N-(4-Aminophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide"	"EPA_DSSTox"	"CN(C(=O)CN1CCN(C)CC1)C1=CC=C(N)C=C1"	"CN(C(=O)CN1CCN(C)CC1)C1C=CC(N)=CC=1"	"?"	"InChI=1S/C14H22N4O/c1-16-7-9-18(10-8-16)11-14(19)17(2)13-5-3-12(15)4-6-13/h3-6H,7-11,15H2,1-2H3"	"LBWNQLVDYPNHAV-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1213"	"26761-45-5"	"DTXSID8025705"	"2,3-Epoxypropyl neodecanoate"	"EPA_DSSTox"	"CCC(C)(CCC(C)C)C(=O)OCC1CO1"	"CC(C)CCC(C)(CC)C(=O)OCC1CO1"	"?"	"InChI=1S/C13H24O3/c1-5-13(4,7-6-10(2)3)12(14)16-9-11-8-15-11/h10-11H,5-9H2,1-4H3"	"DHEHEJGXTUCSQF-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1214"	"27310-25-4"	"DTXSID7067299"	"7-Amino-1,3,5-naphthalenetrisulfonic acid"	"EPA_DSSTox"	"NC1=CC2=C(C=C(C=C2C(=C1)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O"	"NC1=CC2C(=CC(=CC=2C(=C1)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O"	"?"	"InChI=1S/C10H9NO9S3/c11-5-1-7-8(9(2-5)22(15,16)17)3-6(21(12,13)14)4-10(7)23(18,19)20/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)"	"HKTWHHAJDJCUPC-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1215"	"2835-68-9"	"DTXSID7038814"	"4-Aminobenzamide"	"EPA_DSSTox"	"NC(=O)C1=CC=C(N)C=C1"	"NC1C=CC(=CC=1)C(N)=O"	"?"	"InChI=1S/C7H8N2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10)"	"QIKYZXDTTPVVAC-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1216"	"28961-43-5"			"Public_CrossChecked"	"CCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCCOC(=O)C=C"	"CCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCCOC(=O)C=C"	"?"	"InChI=1S/C21H32O9/c1-5-18(22)28-12-9-25-15-21(8-4,16-26-10-13-29-19(23)6-2)17-27-11-14-30-20(24)7-3/h5-7H,1-3,8-17H2,4H3"	"MTPIZGPBYCHTGQ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1217"	"292605-05-1"	"DTXSID7051971"	"(3Z)-1-[(2-Methylprop-2-en-1-yl)oxy]hex-3-ene"	"EPA_DSSTox"	"CC\C=C/CCOCC(C)=C"	"CCC=CCCOCC(C)=C"	"?"	"InChI=1S/C10H18O/c1-4-5-6-7-8-11-9-10(2)3/h5-6H,2,4,7-9H2,1,3H3"	"LIWYPQFTKLABSJ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1218"	"30129-28-3"	"DTXSID20184215"	"Valeric acid, 2-propyl-, o-methoxyphenyl ester"	"EPA_DSSTox"	"CCCC(CCC)C(=O)OC1=CC=CC=C1OC"	"COC1C=CC=CC=1OC(=O)C(CCC)CCC"	"?"	"InChI=1S/C15H22O3/c1-4-8-12(9-5-2)15(16)18-14-11-7-6-10-13(14)17-3/h6-7,10-12H,4-5,8-9H2,1-3H3"	"SDHKUHUVCAPACE-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1219"	"3021-02-1"			"Public_CrossChecked"	"N.N.N1N=NC(=N1)C1=NNN=N1"	"N1N=NN=C1C1NN=NN=1"	"N.N"	"InChI=1S/C2H2N8/c3-1(4-8-7-3)2-5-9-10-6-2/h(H,3,4,7,8)(H,5,6,9,10)"	"MTAYYBKXNAEQOK-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1220"	"30544-65-1"	"DTXSID70184629"	"Butyric acid, 4-(p-chloro-N-(p-ethoxyphenyl)benzamido)-"	"EPA_DSSTox"	"CCOC1=CC=C(C=C1)N(CCCC(O)=O)C(=O)C1=CC=C(Cl)C=C1"	"CCOC1C=CC(=CC=1)N(CCCC(O)=O)C(=O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C19H20ClNO4/c1-2-25-17-11-9-16(10-12-17)21(13-3-4-18(22)23)19(24)14-5-7-15(20)8-6-14/h5-12H,2-4,13H2,1H3,(H,22,23)"	"AEEHDSUHDMQXJG-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1221"	"31328-28-6"			"Public_CrossChecked"	"CC1CNCCN1SC=S"	"CC1CNCCN1SC=S"	"?"	"InChI=1S/C6H12N2S2/c1-6-4-7-2-3-8(6)10-5-9/h5-7H,2-4H2,1H3"	"HHTLNCAVEAKGOY-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1222"	"3179-76-8"	"DTXSID2038817"	"3-[Diethoxy(methyl)silyl]propan-1-amine"	"EPA_DSSTox"	"CCO[Si](C)(CCCN)OCC"	"C[Si](CCCN)(OCC)OCC"	"?"	"InChI=1S/C8H21NO2Si/c1-4-10-12(3,11-5-2)8-6-7-9/h4-9H2,1-3H3"	"HXLAEGYMDGUSBD-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1223"	"32462-30-9"	"DTXSID3046403"	"Oxfenicine"	"EPA_DSSTox"	"N[C@H](C(O)=O)C1=CC=C(O)C=C1"	"NC(C1=CC=C(O)C=C1)C(O)=O"	"?"	"InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)"	"LJCWONGJFPCTTL-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1224"	"33398-01-5"	"DTXSID00493054"	"1,1'-(2,3-Dimethylbutane-2,3-diyl)bis[4-(propan-2-yl)benzene]"	"EPA_DSSTox"	"CC(C)C1=CC=C(C=C1)C(C)(C)C(C)(C)C1=CC=C(C=C1)C(C)C"	"CC(C)(C1C=CC(=CC=1)C(C)C)C(C)(C)C1C=CC(=CC=1)C(C)C"	"?"	"InChI=1S/C24H34/c1-17(2)19-9-13-21(14-10-19)23(5,6)24(7,8)22-15-11-20(12-16-22)18(3)4/h9-18H,1-8H3"	"QZSVMKVOLCRBKZ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1225"	"338-65-8"	"DTXSID0073164"	"Ethane, 2-chloro-1,1-difluoro-"	"EPA_DSSTox"	"FC(F)CCl"	"FC(F)CCl"	"?"	"InChI=1S/C2H3ClF2/c3-1-2(4)5/h2H,1H2"	"ATEBGNALLCMSGS-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1226"	"34274-28-7"			"Public_CrossChecked"	"[NH4+].[O-]P([O-])(=O)CN(CP([O-])([O-])=O)CP([O-])([O-])=O"	"OP(O)(=O)CN(CP(O)(O)=O)CP(O)(O)=O"	"[NH4+]"	"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"		"3"	"5"	"FALSE"	"TRUE"
"1227"	"34454-97-2"	"DTXSID0067848"	"1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)-N-methyl-"	"EPA_DSSTox"	"CN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	"CN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	"?"	"InChI=1S/C7H8F9NO3S/c1-17(2-3-18)21(19,20)7(15,16)5(10,11)4(8,9)6(12,13)14/h18H,2-3H2,1H3"	"DSRUAYIFDCHEEV-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1228"	"35092-89-8"			"Public_CrossChecked"	"COC(=O)c1ccc(cc1[N+]([O-])=O)C(O)=O"	"COC(=O)C1C=CC(=CC=1[N+]([O-])=O)C(O)=O"	"?"	"InChI=1S/C9H7NO6/c1-16-9(13)6-3-2-5(8(11)12)4-7(6)10(14)15/h2-4H,1H3,(H,11,12)"	"MIIADZYPHVTLPR-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1229"	"36504-64-0"	"DTXSID30190004"	"Nictindole"	"EPA_DSSTox"	"CC(C)C1=C(C(=O)C2=CN=CC=C2)C2=CC=CC=C2N1"	"CC(C)C1NC2C=CC=CC=2C=1C(=O)C1C=NC=CC=1"	"?"	"InChI=1S/C17H16N2O/c1-11(2)16-15(13-7-3-4-8-14(13)19-16)17(20)12-6-5-9-18-10-12/h3-11,19H,1-2H3"	"SOOXXPIIPHUERK-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1230"	"37027-10-4"	"DTXSID90190525"	"1H-Pyrazolecarboxamide, 5-methyl-N-(2-methylphenyl)-"	"EPA_DSSTox"	"CC1=CC(=NN1)C(=O)NC1=CC=CC=C1C"	"CC1C=CC=CC=1NC(=O)C1C=C(C)NN=1"	"?"	"InChI=1S/C12H13N3O/c1-8-5-3-4-6-10(8)13-12(16)11-7-9(2)14-15-11/h3-7H,1-2H3,(H,13,16)(H,14,15)"	"JANAAOKYDKGMID-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1231"	"38585-74-9"	"DTXSID40376817"	"5-Hydroxymethylthiazole"	"EPA_DSSTox"	"OCC1=CN=CS1"	"OCC1=CN=CS1"	"?"	"InChI=1S/C4H5NOS/c6-2-4-1-5-3-7-4/h1,3,6H,2H2"	"WKBQQWDVVHGWDB-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1232"	"39202-17-0"	"DTXSID90884816"	"9-Dodecenoic acid, methyl ester"	"EPA_DSSTox"	"CCC=CCCCCCCCC(=O)OC"	"CCC=CCCCCCCCC(=O)OC"	"?"	"InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h4-5H,3,6-12H2,1-2H3"	"DUWQEMMRMJGHSA-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1233"	"39903-01-0"			"Public_CrossChecked"	"Nc1ncc(Br)cc1O"	"NC1=NC=C(Br)C=C1O"	"?"	"InChI=1S/C5H5BrN2O/c6-3-1-4(9)5(7)8-2-3/h1-2,9H,(H2,7,8)"	"YQADLKDQAXAIKW-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1234"	"40530-60-7"	"DTXSID5068235"	"Carbonic acid, 2-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]ethyl ethyl ester"	"EPA_DSSTox"	"CCOC(=O)OCCOC1=C(N)C2=C(C(O)=C1)C(=O)C1=CC=CC=C1C2=O"	"CCOC(=O)OCCOC1C=C(O)C2=C(C=1N)C(=O)C1=CC=CC=C1C2=O"	"?"	"InChI=1S/C19H17NO7/c1-2-25-19(24)27-8-7-26-13-9-12(21)14-15(16(13)20)18(23)11-6-4-3-5-10(11)17(14)22/h3-6,9,21H,2,7-8,20H2,1H3"	"GLVDLLVMSDGVDA-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1235"	"41263-74-5"	"DTXSID20300675"	"4-(methylamino)-3-nitrobenzoic acid"	"EPA_DSSTox"	"CNC1=C(C=C(C=C1)C(O)=O)[N+]([O-])=O"	"CNC1=CC=C(C=C1[N+]([O-])=O)C(O)=O"	"?"	"InChI=1S/C8H8N2O4/c1-9-6-3-2-5(8(11)12)4-7(6)10(13)14/h2-4,9H,1H3,(H,11,12)"	"KSMLIIWEQBYUKA-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1236"	"41583-09-9"	"DTXSID9068328"	"1,3,5-Triazine-2,4,6-triamine, phosphate"	"EPA_DSSTox"	"OP(O)(O)=O.NC1=NC(N)=NC(N)=N1"	"NC1N=C(N)N=C(N)N=1"	"P(=O)(O)(O)O"	"InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)"	"JDSHMPZPIAZGSV-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1237"	"4245-76-5"	"DTXSID70195230"	"N-Methyl-N'-nitroguanidine"	"EPA_DSSTox"	"C\N=C(/N)N[N+]([O-])=O"	"C/N=C(\N)/N[N+]([O-])=O"	"?"	"InChI=1S/C2H6N4O2/c1-4-2(3)5-6(7)8/h1H3,(H3,3,4,5)"	"XCXKNNGWSDYMMS-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1238"	"461-05-2"	"DTXSID8045850"	"Carnitine hydrochloride"	"EPA_DSSTox"	"Cl.C[N+](C)(C)CC(O)CC([O-])=O"	"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"		"3"	"5"	"FALSE"	"TRUE"
"1239"	"4726-14-1"	"DTXSID9042203"	"Nitralin"	"EPA_DSSTox"	"CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)S(C)(=O)=O)[N+]([O-])=O"	"CS(=O)(=O)C1=CC(=C(C(=C1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O"	"?"	"InChI=1S/C13H19N3O6S/c1-4-6-14(7-5-2)13-11(15(17)18)8-10(23(3,21)22)9-12(13)16(19)20/h8-9H,4-7H2,1-3H3"	"UMKANAFDOQQUKE-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1240"	"4866-00-6"	"DTXSID30197573"	"4-Methyloxazole-5-carboxamide"	"EPA_DSSTox"	"CC1=C(OC=N1)C(N)=O"	"CC1N=COC=1C(N)=O"	"?"	"InChI=1S/C5H6N2O2/c1-3-4(5(6)8)9-2-7-3/h2H,1H3,(H2,6,8)"	"HBKBZJZRIWAICY-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1241"	"49667-22-3"	"DTXSID70441320"	"4-Methylsalicylamide"	"EPA_DSSTox"	"CC1=CC(O)=C(C=C1)C(N)=O"	"CC1=CC=C(C(N)=O)C(O)=C1"	"?"	"InChI=1S/C8H9NO2/c1-5-2-3-6(8(9)11)7(10)4-5/h2-4,10H,1H3,(H2,9,11)"	"OLEJYVBTZPUQDX-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1242"	"503614-91-3"	"DTXSID50623728"	"Ethyl 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate"	"EPA_DSSTox"	"CCOC(=O)C1=NN(C2=C1CCN(C1=CC=C(C=C1)N1CCCCC1=O)C2=O)C1=CC=C(OC)C=C1"	"COC1C=CC(=CC=1)N1N=C(C2CCN(C3C=CC(=CC=3)N3CCCCC3=O)C(=O)C1=2)C(=O)OCC"	"?"	"InChI=1S/C27H28N4O5/c1-3-36-27(34)24-22-15-17-30(19-9-7-18(8-10-19)29-16-5-4-6-23(29)32)26(33)25(22)31(28-24)20-11-13-21(35-2)14-12-20/h7-14H,3-6,15-17H2,1-2H3"	"PULNLYVCJSOXKS-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1243"	"5089-70-3"	"DTXSID5029267"	"(3-Chloropropyl)(triethoxy)silane"	"EPA_DSSTox"	"CCO[Si](CCCCl)(OCC)OCC"	"CCO[Si](CCCCl)(OCC)OCC"	"?"	"InChI=1S/C9H21ClO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-9H2,1-3H3"	"KSCAZPYHLGGNPZ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1244"	"515-74-2"	"DTXSID5029184"	"Sodium 4-aminobenzenesulfonate"	"EPA_DSSTox"	"[Na+].NC1=CC=C(C=C1)S([O-])(=O)=O"	"NC1=CC=C(C=C1)S(O)(=O)=O"	"[Na+]"	"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"		"3"	"5"	"FALSE"	"TRUE"
"1245"	"520-26-3"	"DTXSID9044328"	"Hesperidin"	"EPA_DSSTox"	"COC1=C(O)C=C(C=C1)[C@@H]1CC(=O)C2=C(O1)C=C(O[C@@H]1O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)C=C2O"	"CC1OC(OCC2OC(OC3=CC4OC(CC(=O)C=4C(O)=C3)C3=CC(O)=C(C=C3)OC)C(O)C(O)C2O)C(O)C(O)C1O"	"?"	"InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3"	"QUQPHWDTPGMPEX-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1246"	"52449-76-0"			"Public_CrossChecked"	"COC(=O)c1ccc(cc1[N+]([O-])=O)C#N"	"COC(=O)C1C=CC(=CC=1[N+]([O-])=O)C#N"	"?"	"InChI=1S/C9H6N2O4/c1-15-9(12)7-3-2-6(5-10)4-8(7)11(13)14/h2-4H,1H3"	"VNJLHPJTOHUNQK-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1247"	"53-84-9"	"DTXSID2045236"	"Nadide"	"EPA_DSSTox"	"NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O"	"NC(=O)C1C=[N+](C=CC=1)C1OC(COP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)N2C=NC3=C2N=CN=C3N)C(O)C1O"	"?"	"InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1"	"BAWFJGJZGIEFAR-UHFFFAOYSA-O"		"3"	"5"	"FALSE"	"TRUE"
"1248"	"53037-34-6"			"Public_CrossChecked"	"NC(N)=O.O=CC=O"	"O=CC=O"	"C(=O)(N)N"	"InChI=1S/C2H2O2/c3-1-2-4/h1-2H"	"LEQAOMBKQFMDFZ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1249"	"53471-74-2"			"Public_CrossChecked"	"CC(C)C1=CC23CCC4C(C)(CCCC4(C)C(=O)N(C)C)C2CC1C1C3C(=O)OC1=O"	"CC(C)C1=CC23CCC4C(C)(CCCC4(C)C(=O)N(C)C)C2CC1C1C3C(=O)OC1=O"	"?"	"InChI=1S/C26H37NO4/c1-14(2)16-13-26-11-8-17-24(3,9-7-10-25(17,4)23(30)27(5)6)18(26)12-15(16)19-20(26)22(29)31-21(19)28/h13-15,17-20H,7-12H2,1-6H3"	"VAHSSTSUDBYOCP-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1250"	"5372-81-6"	"DTXSID5022225"	"Dimethyl aminoterephthalate"	"EPA_DSSTox"	"COC(=O)C1=CC=C(C(=O)OC)C(N)=C1"	"COC(=O)C1C=C(N)C(=CC=1)C(=O)OC"	"?"	"InChI=1S/C10H11NO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,11H2,1-2H3"	"DSSKDXUDARIMTR-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1251"	"54112-23-1"	"DTXSID3068910"	"1H-Azepine-1-carboxamide, N,N'-(methylenedi-4,1-phenylene)bis[hexahydro-2-oxo-"	"EPA_DSSTox"	"O=C(NC1=CC=C(CC2=CC=C(NC(=O)N3CCCCCC3=O)C=C2)C=C1)N1CCCCCC1=O"	"O=C1CCCCCN1C(=O)NC1C=CC(CC2C=CC(=CC=2)NC(=O)N2CCCCCC2=O)=CC=1"	"?"	"InChI=1S/C27H32N4O4/c32-24-7-3-1-5-17-30(24)26(34)28-22-13-9-20(10-14-22)19-21-11-15-23(16-12-21)29-27(35)31-18-6-2-4-8-25(31)33/h9-16H,1-8,17-19H2,(H,28,34)(H,29,35)"	"CFDIRYSIEKJPRZ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1252"	"54301-26-7"	"DTXSID30202671"	"Undecylenoyl glycine"	"EPA_DSSTox"	"OC(=O)CNC(=O)CCCCCCCCC=C"	"C=CCCCCCCCCC(=O)NCC(O)=O"	"?"	"InChI=1S/C13H23NO3/c1-2-3-4-5-6-7-8-9-10-12(15)14-11-13(16)17/h2H,1,3-11H2,(H,14,15)(H,16,17)"	"ZROLMAVYZOMHRS-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1253"	"54903-12-7"	"DTXSID90203402"	"6-Benzoyl benzoxazolinone"	"EPA_DSSTox"	"O=C(C1=CC=CC=C1)C1=CC2=C(NC(=O)O2)C=C1"	"O=C1NC2C=CC(=CC=2O1)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C14H9NO3/c16-13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)18-14(17)15-11/h1-8H,(H,15,17)"	"FNIQWNQNMXTVJJ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1254"	"54903-61-6"	"DTXSID10203424"	"2(3H)-Benzoxazolone, 6-acetyl-3-methyl-"	"EPA_DSSTox"	"CN1C(=O)OC2=C1C=CC(=C2)C(C)=O"	"CC(=O)C1=CC2OC(=O)N(C)C=2C=C1"	"?"	"InChI=1S/C10H9NO3/c1-6(12)7-3-4-8-9(5-7)14-10(13)11(8)2/h3-5H,1-2H3"	"SZALAYSSIMHXRU-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1255"	"55232-77-4"	"DTXSID30203744"	"Benzenecarboximidamide, N-cyclohexyl-N'-(4-fluorophenyl)-, monohydrochloride"	"EPA_DSSTox"	"Cl.FC1=CC=C(N\C(=N\C2CCCCC2)C2=CC=CC=C2)C=C1"	"FC1C=CC(=CC=1)N/C(=N/C1CCCCC1)/C1C=CC=CC=1"	"Cl"	"InChI=1S/C19H21FN2/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)"	"XATAUFWLRNLNNE-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1256"	"55699-10-0"			"Public_CrossChecked"	"Cc1cc(c(O)c(C)c1CC#N)C(C)(C)C"	"CC(C)(C)C1=CC(C)=C(CC#N)C(C)=C1O"	"?"	"InChI=1S/C14H19NO/c1-9-8-12(14(3,4)5)13(16)10(2)11(9)6-7-15/h8,16H,6H2,1-5H3"	"OUKJZHRCKQJXSU-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1257"	"5660-53-7"	"DTXSID00884180"	"1,3-Dioxolane-4-methanol, 2-methyl-2-(2-methylpropyl)-"	"EPA_DSSTox"	"CC(C)CC1(C)OCC(CO)O1"	"CC(C)CC1(C)OCC(CO)O1"	"?"	"InChI=1S/C9H18O3/c1-7(2)4-9(3)11-6-8(5-10)12-9/h7-8,10H,4-6H2,1-3H3"	"DFDWGIZZMBNYBV-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1258"	"57843-53-5"	"DTXSID50866653"	"Hexanediamide, N1,N1,N6,N6-tetrakis(2-hydroxypropyl)-"	"EPA_DSSTox"	"CC(O)CN(CC(C)O)C(=O)CCCCC(=O)N(CC(C)O)CC(C)O"	"CC(O)CN(CC(C)O)C(=O)CCCCC(=O)N(CC(C)O)CC(C)O"	"?"	"InChI=1S/C18H36N2O6/c1-13(21)9-19(10-14(2)22)17(25)7-5-6-8-18(26)20(11-15(3)23)12-16(4)24/h13-16,21-24H,5-12H2,1-4H3"	"UUCAVBDCVCFNIN-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1259"	"5888-87-9"	"DTXSID9064051"	"1H-Azepine-1-carboxamide, N,N'-1,6-hexanediylbis[hexahydro-2-oxo-"	"EPA_DSSTox"	"O=C(NCCCCCCNC(=O)N1CCCCCC1=O)N1CCCCCC1=O"	"O=C1CCCCCN1C(=O)NCCCCCCNC(=O)N1CCCCCC1=O"	"?"	"InChI=1S/C20H34N4O4/c25-17-11-5-3-9-15-23(17)19(27)21-13-7-1-2-8-14-22-20(28)24-16-10-4-6-12-18(24)26/h1-16H2,(H,21,27)(H,22,28)"	"YOVRNJUIHVNXCB-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1260"	"5945-33-5"	"DTXSID8052720"	"Phosphoric acid, P,P'-[(1-methylethylidene)di-4,1-phenylene] P,P,P',P'-tetraphenyl ester"	"EPA_DSSTox"	"CC(C)(C1=CC=C(OP(=O)(OC2=CC=CC=C2)OC2=CC=CC=C2)C=C1)C1=CC=C(OP(=O)(OC2=CC=CC=C2)OC2=CC=CC=C2)C=C1"	"CC(C)(C1C=CC(=CC=1)OP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1)C1C=CC(=CC=1)OP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1"	"?"	"InChI=1S/C39H34O8P2/c1-39(2,31-23-27-37(28-24-31)46-48(40,42-33-15-7-3-8-16-33)43-34-17-9-4-10-18-34)32-25-29-38(30-26-32)47-49(41,44-35-19-11-5-12-20-35)45-36-21-13-6-14-22-36/h3-30H,1-2H3"	"BQPNUOYXSVUVMY-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1261"	"60046-50-6"	"DTXSID50437968"	"Cyclohexanone, 4-hydroxy-2,2,6-trimethyl-, (4R,6R)-"	"EPA_DSSTox"	"C[C@@H]1C[C@@H](O)CC(C)(C)C1=O"	"CC1CC(O)CC(C)(C)C1=O"	"?"	"InChI=1S/C9H16O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6-7,10H,4-5H2,1-3H3"	"CSPVUHYZUZZRGF-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1262"	"61-90-5"	"DTXSID9023203"	"Leucine"	"EPA_DSSTox"	"CC(C)C[C@H](N)C(O)=O"	"CC(C)CC(N)C(O)=O"	"?"	"InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)"	"ROHFNLRQFUQHCH-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1263"	"6166-86-5"	"DTXSID80871154"	"Cyclopentasiloxane, 2,4,6,8,10-pentamethyl-"	"EPA_DSSTox"	"C[SiH]1O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O1"	"C[SiH]1O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O1"	"?"	"InChI=1S/C5H20O5Si5/c1-11-6-12(2)8-14(4)10-15(5)9-13(3)7-11/h11-15H,1-5H3"	"HGPDWMTUQRNTQT-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1264"	"618-88-2"	"DTXSID7041540"	"5-Nitroisophthalic acid"	"EPA_DSSTox"	"OC(=O)C1=CC(=CC(=C1)C(O)=O)[N+]([O-])=O"	"[O-][N+](=O)C1C=C(C=C(C=1)C(O)=O)C(O)=O"	"?"	"InChI=1S/C8H5NO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)"	"NBDAHKQJXVLAID-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1265"	"63503-98-0"			"Public_CrossChecked"	"[Na+].CC(=O)CC(=O)Nc1ccc(cc1)S([O-])(=O)=O"	"CC(=O)CC(=O)NC1C=CC(=CC=1)S(O)(=O)=O"	"[Na+]"	"InChI=1S/C10H11NO5S/c1-7(12)6-10(13)11-8-2-4-9(5-3-8)17(14,15)16/h2-5H,6H2,1H3,(H,11,13)(H,14,15,16)"	"GRLSWESXIFWOBF-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1266"	"64131-85-7"	"DTXSID40214341"	"O,O,O-Tris(4-nitrophenyl) thiophosphate"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC=C(OP(=S)(OC2=CC=C(C=C2)[N+]([O-])=O)OC2=CC=C(C=C2)[N+]([O-])=O)C=C1"	"[O-][N+](=O)C1C=CC(=CC=1)OP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)OC1C=CC(=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C18H12N3O9PS/c22-19(23)13-1-7-16(8-2-13)28-31(32,29-17-9-3-14(4-10-17)20(24)25)30-18-11-5-15(6-12-18)21(26)27/h1-12H"	"DMRUHNJUTAJPSU-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1267"	"6528-34-3"	"DTXSID0052336"	"Pigment Yellow 65"	"EPA_DSSTox"	"COC1=CC(=C(C=C1)N=NC(C(C)=O)C(=O)NC1=C(OC)C=CC=C1)[N+]([O-])=O"	"CC(=O)C(N=NC1=CC=C(C=C1[N+]([O-])=O)OC)C(=O)NC1=CC=CC=C1OC"	"?"	"InChI=1S/C18H18N4O6/c1-11(23)17(18(24)19-14-6-4-5-7-16(14)28-3)21-20-13-9-8-12(27-2)10-15(13)22(25)26/h4-10,17H,1-3H3,(H,19,24)"	"UFORAEIAYCSGCR-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1268"	"669-90-9"	"DTXSID9027287"	"D-arabino-2-Hexulosonic acid"	"EPA_DSSTox"	"OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)C(O)=O"	"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/h2-4,7-10H,1H2,(H,12,13)"	"VBUYCZFBVCCYFD-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1269"	"68131-04-4"			"Public_CrossChecked"	"[Na+].[Na+].[O-]C(=O)C1C2CC(C=C2)C1C([O-])=O"	"OC(=O)C1C2CC(C=C2)C1C(O)=O"	"[Na+].[Na+]"	"InChI=1S/C9H10O4/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H,10,11)(H,12,13)"	"NIDNOXCRFUCAKQ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1270"	"6842-62-2"			"Public_CrossChecked"	"Clc1ccc(Oc2cccc(Cl)c2)cc1"	"ClC1C=CC(=CC=1)OC1C=C(Cl)C=CC=1"	"?"	"InChI=1S/C12H8Cl2O/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H"	"HPRGYUWRGCTBAV-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1271"	"68920-66-1"			"Public_CrossChecked"	"CCOCCCCCCCCCCCCCCC=CCC"	"CCOCCCCCCCCCCCCCCC=CCC"	"?"	"InChI=1S/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2/h5-6H,3-4,7-20H2,1-2H3"	"WBCCOWHDSAVXAO-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1272"	"691-37-2"	"DTXSID3061001"	"4-Methyl-1-pentene"	"EPA_DSSTox"	"CC(C)CC=C"	"CC(C)CC=C"	"?"	"InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3"	"WSSSPWUEQFSQQG-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1273"	"69788-31-4"			"Public_CrossChecked"	"Cl.CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C1CCc2cc(OC)ccc2C1"	"CCN(CCCCOC(=O)C1=CC(OC)=C(C=C1)OC)C1CC2C=CC(=CC=2CC1)OC"	"Cl"	"InChI=1S/C26H35NO5/c1-5-27(22-11-8-20-17-23(29-2)12-9-19(20)16-22)14-6-7-15-32-26(28)21-10-13-24(30-3)25(18-21)31-4/h9-10,12-13,17-18,22H,5-8,11,14-16H2,1-4H3"	"OZZNKVQJEMSOSF-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1274"	"70209-97-1"	"DTXSID60887536"	"Benzenesulfonic acid, 2-[2-[2-amino-8-hydroxy-6-[(methylphenylamino)sulfonyl]-1-naphthalenyl]diazenyl]-5-[(2-chloroacetyl)amino]-, sodium salt (1:1)"	"EPA_DSSTox"	"[Na+].CN(C1=CC=CC=C1)S(=O)(=O)C1=CC2=C(C(O)=C1)C(N=NC1=CC=C(NC(=O)CCl)C=C1S([O-])(=O)=O)=C(N)C=C2"	"CN(C1C=CC=CC=1)S(=O)(=O)C1=CC2C=CC(N)=C(N=NC3C=CC(=CC=3S(O)(=O)=O)NC(=O)CCl)C=2C(O)=C1"	"[Na+]"	"InChI=1S/C25H22ClN5O7S2/c1-31(17-5-3-2-4-6-17)39(34,35)18-11-15-7-9-19(27)25(24(15)21(32)13-18)30-29-20-10-8-16(28-23(33)14-26)12-22(20)40(36,37)38/h2-13,32H,14,27H2,1H3,(H,28,33)(H,36,37,38)"	"HEIDDNVTBLHAHO-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1275"	"70969-58-3"	"DTXSID60887773"	"1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-methylpropyl) ester"	"EPA_DSSTox"	"CC(C)COC(=O)C1CCCCC1C(=O)OCC(C)C"	"CC(C)COC(=O)C1CCCCC1C(=O)OCC(C)C"	"?"	"InChI=1S/C16H28O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h11-14H,5-10H2,1-4H3"	"QUKHPBOCBWDYMW-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1276"	"72162-47-1"			"Public_CrossChecked"	"CC(C)CCCCCCCCOCCCNCCC#N"	"CC(C)CCCCCCCCOCCCNCCC#N"	"?"	"InChI=1S/C17H34N2O/c1-17(2)11-7-5-3-4-6-8-15-20-16-10-14-19-13-9-12-18/h17,19H,3-11,13-16H2,1-2H3"	"JWIXWVDMADJVJP-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1277"	"7328-22-5"	"DTXSID10223506"	"2-(2-Butoxyethoxy)ethyl methacrylate"	"EPA_DSSTox"	"CCCCOCCOCCOC(=O)C(C)=C"	"CC(=C)C(=O)OCCOCCOCCCC"	"?"	"InChI=1S/C12H22O4/c1-4-5-6-14-7-8-15-9-10-16-12(13)11(2)3/h2,4-10H2,1,3H3"	"QGTBRAFPWNISIJ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1278"	"73833-37-1"	"DTXSID50224355"	"2,2,4,4-Tetramethyl-7-oxa-3,20-diazadispiro(5.1.11.2)henicosan-21-one hydrochloride"	"EPA_DSSTox"	"Cl.CC1(C)CC2(CC(C)(C)N1)OC1(CCCCCCCCCCC1)NC2=O"	"CC1(C)CC2(CC(C)(C)N1)OC1(CCCCCCCCCCC1)NC2=O"	"Cl"	"InChI=1S/C22H40N2O2/c1-19(2)16-21(17-20(3,4)24-19)18(25)23-22(26-21)14-12-10-8-6-5-7-9-11-13-15-22/h24H,5-17H2,1-4H3,(H,23,25)"	"IVVLFHBYPHTMJU-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1279"	"74441-06-8"			"Public_CrossChecked"	"NC(=O)c1ccc(NC(=O)c2ccc(N)cc2)cc1"	"NC(=O)C1C=CC(=CC=1)NC(=O)C1C=CC(N)=CC=1"	"?"	"InChI=1S/C14H13N3O2/c15-11-5-1-10(2-6-11)14(19)17-12-7-3-9(4-8-12)13(16)18/h1-8H,15H2,(H2,16,18)(H,17,19)"	"FSPYMSUDIVFOHY-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1280"	"75-26-3"	"DTXSID7030197"	"2-Bromopropane"	"EPA_DSSTox"	"CC(C)Br"	"CC(C)Br"	"?"	"InChI=1S/C3H7Br/c1-3(2)4/h3H,1-2H3"	"NAMYKGVDVNBCFQ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1281"	"76950-43-1"			"Public_CrossChecked"	"OCC1CN2CCN1CC2"	"OCC1CN2CCN1CC2"	"?"	"InChI=1S/C7H14N2O/c10-6-7-5-8-1-3-9(7)4-2-8/h7,10H,1-6H2"	"MPJZCYUPWINKPK-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1282"	"78778-28-6"			"Public_CrossChecked"	"O[C@H]1CC(CCCOc2ccc(F)cc2)N(NC(O)=O)[C@@H]2CCCC[C@@H]12"	"OC(=O)NN1C(CC(O)C2CCCCC12)CCCOC1C=CC(F)=CC=1"	"?"	"InChI=1S/C19H27FN2O4/c20-13-7-9-15(10-8-13)26-11-3-4-14-12-18(23)16-5-1-2-6-17(16)22(14)21-19(24)25/h7-10,14,16-18,21,23H,1-6,11-12H2,(H,24,25)"	"DAKMLVVJCCEMRF-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1283"	"80427-93-6"	"DTXSID40230309"	"2(3H)-Benzoxazolone, 3-methyl-6-(1-oxobutyl)-"	"EPA_DSSTox"	"CCCC(=O)C1=CC2=C(C=C1)N(C)C(=O)O2"	"CCCC(=O)C1C=C2OC(=O)N(C)C2=CC=1"	"?"	"InChI=1S/C12H13NO3/c1-3-4-10(14)8-5-6-9-11(7-8)16-12(15)13(9)2/h5-7H,3-4H2,1-2H3"	"DTZSMSQKCBQDCM-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1284"	"81936-33-6"			"Public_CrossChecked"	"CCC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1"	"CCCC1CCC(CC1)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C15H22O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h8-13,16H,2-7H2,1H3"	"AHAZEMSUUYFDMM-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1285"	"827-52-1"	"DTXSID3061188"	"Cyclohexylbenzene"	"EPA_DSSTox"	"C1CCC(CC1)C1=CC=CC=C1"	"C1CCCCC1C1C=CC=CC=1"	"?"	"InChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2"	"IGARGHRYKHJQSM-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1286"	"83857-96-9"	"DTXSID4075039"	"2-Butyl-5-chloroimidazole-4-carbaldehyde"	"EPA_DSSTox"	"CCCCC1=NC(C=O)=C(Cl)N1"	"CCCCC1NC(Cl)=C(C=O)N=1"	"?"	"InChI=1S/C8H11ClN2O/c1-2-3-4-7-10-6(5-12)8(9)11-7/h5H,2-4H2,1H3,(H,10,11)"	"JLVIHQCWASNXCK-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1287"	"84029-45-8"	"DTXSID20232907"	"Sodium 4-(4-methyl-3-nitrobenzoylamino)benzenesulphonate"	"EPA_DSSTox"	"[Na+].CC1=C(C=C(C=C1)C(=O)NC1=CC=C(C=C1)S([O-])(=O)=O)[N+]([O-])=O"	"CC1=CC=C(C=C1[N+]([O-])=O)C(=O)NC1C=CC(=CC=1)S(O)(=O)=O"	"[Na+]"	"InChI=1S/C14H12N2O6S/c1-9-2-3-10(8-13(9)16(18)19)14(17)15-11-4-6-12(7-5-11)23(20,21)22/h2-8H,1H3,(H,15,17)(H,20,21,22)"	"RLVVHEISMLHVND-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1288"	"848820-98-4"	"DTXSID80872803"	"6H-Dibenz[c,e][1,2]oxaphosphorin-6-propanoic acid, butyl ester, 6-oxide"	"EPA_DSSTox"	"CCCCOC(=O)CCP1(=O)OC2=CC=CC=C2C2=CC=CC=C12"	"CCCCOC(=O)CCP1(=O)OC2C=CC=CC=2C2C=CC=CC1=2"	"?"	"InChI=1S/C19H21O4P/c1-2-3-13-22-19(20)12-14-24(21)18-11-7-5-9-16(18)15-8-4-6-10-17(15)23-24/h4-11H,2-3,12-14H2,1H3"	"JBEHRBTVEGZLAF-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1289"	"85251-77-0"			"Public_CrossChecked"	"CCCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCC"	"CCCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCC"	"?"	"InChI=1S/C37H72O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3"	"ONCLVQFEAFTXMN-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1290"	"86087-23-2"			"Public_CrossChecked"	"OC1CCOC1"	"OC1COCC1"	"?"	"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2"	"XDPCNPCKDGQBAN-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1291"	"867-13-0"	"DTXSID4041573"	"Triethyl phosphonoacetate"	"EPA_DSSTox"	"CCOC(=O)CP(=O)(OCC)OCC"	"CCOC(=O)CP(=O)(OCC)OCC"	"?"	"InChI=1S/C8H17O5P/c1-4-11-8(9)7-14(10,12-5-2)13-6-3/h4-7H2,1-3H3"	"GGUBFICZYGKNTD-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1292"	"87324-00-3"	"DTXSID40499939"	"Methyl (2R)-oxolane-2-carboxylate"	"EPA_DSSTox"	"COC(=O)[C@H]1CCCO1"	"COC(=O)C1CCCO1"	"?"	"InChI=1S/C6H10O3/c1-8-6(7)5-3-2-4-9-5/h5H,2-4H2,1H3"	"IXHZGHPQQTXOKV-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1293"	"87444-09-5"			"Public_CrossChecked"	"COc1ccccc1C1C(Cl)C(=O)N1NC(=O)c1ccccc1O"	"COC1C=CC=CC=1C1C(Cl)C(=O)N1NC(=O)C1C=CC=CC=1O"	"?"	"InChI=1S/C17H15ClN2O4/c1-24-13-9-5-3-7-11(13)15-14(18)17(23)20(15)19-16(22)10-6-2-4-8-12(10)21/h2-9,14-15,21H,1H3,(H,19,22)"	"JLFHUGXYBUGWLP-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1294"	"88-45-9"	"DTXSID7058969"	"Benzenesulfonic acid, 2,5-diamino-"	"EPA_DSSTox"	"NC1=CC(=C(N)C=C1)S(O)(=O)=O"	"NC1=CC(=C(N)C=C1)S(O)(=O)=O"	"?"	"InChI=1S/C6H8N2O3S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,7-8H2,(H,9,10,11)"	"HEAHMJLHQCESBZ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1295"	"89-04-3"	"DTXSID0047533"	"Trioctyl trimellitate"	"EPA_DSSTox"	"CCCCCCCCOC(=O)C1=CC=C(C(=O)OCCCCCCCC)C(=C1)C(=O)OCCCCCCCC"	"CCCCCCCCOC(=O)C1=CC=C(C=C1C(=O)OCCCCCCCC)C(=O)OCCCCCCCC"	"?"	"InChI=1S/C33H54O6/c1-4-7-10-13-16-19-24-37-31(34)28-22-23-29(32(35)38-25-20-17-14-11-8-5-2)30(27-28)33(36)39-26-21-18-15-12-9-6-3/h22-23,27H,4-21,24-26H2,1-3H3"	"JNXDCMUUZNIWPQ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1296"	"91-56-5"	"DTXSID3038694"	"Isatin"	"EPA_DSSTox"	"O=C1NC2=C(C=CC=C2)C1=O"	"O=C1C2=CC=CC=C2NC1=O"	"?"	"InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)"	"JXDYKVIHCLTXOP-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1297"	"915095-86-2"			"Public_CrossChecked"	"Fc1ccc(cc1)C(=O)c1cc(I)ccc1Cl"	"O=C(C1C=C(I)C=CC=1Cl)C1C=CC(F)=CC=1"	"?"	"InChI=1S/C13H7ClFIO/c14-12-6-5-10(16)7-11(12)13(17)8-1-3-9(15)4-2-8/h1-7H"	"KNYGUQLVFSPVRI-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1298"	"922165-31-9"	"DTXSID20238929"	"Bis-ethoxydiglycol cyclohexane 1,4-dicarboxylate"	"EPA_DSSTox"	"CCOCCOCCOC(=O)C1CCC(CC1)C(=O)OCCOCCOCC"	"CCOCCOCCOC(=O)C1CCC(CC1)C(=O)OCCOCCOCC"	"?"	"InChI=1S/C20H36O8/c1-3-23-9-11-25-13-15-27-19(21)17-5-7-18(8-6-17)20(22)28-16-14-26-12-10-24-4-2/h17-18H,3-16H2,1-2H3"	"JNFDQAYPZCYWLD-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1299"	"932742-30-8"	"DTXSID90889245"	"Dodecanoic acid, 3-[[3-[[[2,2-dimethyl-3-[(1-oxododecyl)oxy]propylidene]amino]methyl]-3,5,5-trimethylcyclohexyl]imino]-2,2-dimethylpropyl ester"	"EPA_DSSTox"	"CCCCCCCCCCCC(=O)OCC(C)(C)C=NCC1(C)CC(CC(C)(C)C1)N=CC(C)(C)COC(=O)CCCCCCCCCCC"	"CC1(C)CC(CC(C)(C1)CN=CC(C)(C)COC(=O)CCCCCCCCCCC)N=CC(C)(C)COC(=O)CCCCCCCCCCC"	"?"	"InChI=1S/C44H82N2O4/c1-10-12-14-16-18-20-22-24-26-28-39(47)49-36-42(5,6)33-45-35-44(9)31-38(30-41(3,4)32-44)46-34-43(7,8)37-50-40(48)29-27-25-23-21-19-17-15-13-11-2/h33-34,38H,10-32,35-37H2,1-9H3"	"PLCJQVXNAMXZGB-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1300"	"944-73-0"	"DTXSID50241466"	"1,3-Dimethyluric acid"	"EPA_DSSTox"	"CN1C2=C(NC(=O)N2)C(=O)N(C)C1=O"	"CN1C2NC(=O)NC=2C(=O)N(C)C1=O"	"?"	"InChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13)"	"OTSBKHHWSQYEHK-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1301"	"96-76-4"	"DTXSID2026602"	"2,4-Di-tert-butylphenol"	"EPA_DSSTox"	"CC(C)(C)C1=CC(=C(O)C=C1)C(C)(C)C"	"CC(C)(C)C1C=C(C=CC=1O)C(C)(C)C"	"?"	"InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3"	"ICKWICRCANNIBI-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1302"	"97416-84-7"			"Public_CrossChecked"	"CC(Br)(CBr)COc1c(Br)cc(cc1Br)C(C)(C)c1cc(Br)c(OCC(C)(Br)CBr)c(Br)c1"	"CC(C)(C1=CC(Br)=C(OCC(C)(Br)CBr)C(Br)=C1)C1=CC(Br)=C(OCC(C)(Br)CBr)C(Br)=C1"	"?"	"InChI=1S/C23H24Br8O2/c1-21(2,13-5-15(26)19(16(27)6-13)32-11-22(3,30)9-24)14-7-17(28)20(18(29)8-14)33-12-23(4,31)10-25/h5-8H,9-12H2,1-4H3"	"IYOVSGHZOIZSDC-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1303"	"987-65-5"	"DTXSID80891312"	"Adenosine triphosphate disodium"	"EPA_DSSTox"	"[Na+].[Na+].NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP([O-])(=O)OP(O)([O-])=O)[C@@H](O)[C@H]3O)C2=NC=N1"	"NC1N=CN=C2C=1N=CN2C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O"	"[Na+].[Na+]"	"InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)"	"ZKHQWZAMYRWXGA-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1304"	"105755-07-5"			"Public_CrossChecked"	"CSCC[C@H](NC(=O)CCSC(=O)c1ccccc1)C(=O)OC(C)C"	"CC(C)OC(=O)C(CCSC)NC(=O)CCSC(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C18H25NO4S2/c1-13(2)23-17(21)15(9-11-24-3)19-16(20)10-12-25-18(22)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,19,20)"	"HCNJHUGBMIOFKD-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1305"	"108-87-2"	"DTXSID0047749"	"Methylcyclohexane"	"EPA_DSSTox"	"CC1CCCCC1"	"CC1CCCCC1"	"?"	"InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3"	"UAEPNZWRGJTJPN-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1306"	"1098-97-1"	"DTXSID3048362"	"Pyrithioxine"	"EPA_DSSTox"	"CC1=C(O)C(CO)=C(CSSCC2=C(CO)C(O)=C(C)N=C2)C=N1"	"CC1=NC=C(CSSCC2C=NC(C)=C(O)C=2CO)C(CO)=C1O"	"?"	"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"		"3"	"5"	"FALSE"	"TRUE"
"1307"	"112885-42-4"	"DTXSID7046207"	"Mosapride citrate"	"EPA_DSSTox"	"OC(=O)CC(O)(CC(O)=O)C(O)=O.CCOC1=C(C=C(Cl)C(N)=C1)C(=O)NCC1CN(CC2=CC=C(F)C=C2)CCO1"	"CCOC1C=C(N)C(Cl)=CC=1C(=O)NCC1CN(CC2=CC=C(F)C=C2)CCO1"	"C(C(O)=O)(CC(O)=O)(O)CC(=O)O"	"InChI=1S/C21H25ClFN3O3/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27)"	"YPELFRMCRYSPKZ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1308"	"118472-63-2"	"DTXSID60152135"	"CGI 14600"	"EPA_DSSTox"	"CC1=C(C2=C(CC(C)(C)CC2=O)N1C1=CC=CC=C1)C1=C(O)CC(C)(C)CC1=O"	"CC1=C(C2=C(CC(C)(C)CC2=O)N1C1C=CC=CC=1)C1=C(O)CC(C)(C)CC1=O"	"?"	"InChI=1S/C25H29NO3/c1-15-21(23-19(28)13-25(4,5)14-20(23)29)22-17(11-24(2,3)12-18(22)27)26(15)16-9-7-6-8-10-16/h6-10,28H,11-14H2,1-5H3"	"YNMGHQWHBRPGRE-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1309"	"121625-71-6"	"DTXSID40153322"	"C 8778-GO"	"EPA_DSSTox"	"CCCCN1C(C)=C(CC(O)=O)C2=C1CC(C)(C)CC2=O"	"CC1=C(CC(O)=O)C2=C(CC(C)(C)CC2=O)N1CCCC"	"?"	"InChI=1S/C17H25NO3/c1-5-6-7-18-11(2)12(8-15(20)21)16-13(18)9-17(3,4)10-14(16)19/h5-10H2,1-4H3,(H,20,21)"	"SASMKVAGXNJWKP-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1310"	"122277-23-0"	"DTXSID00153560"	"Benzoic acid, 2-((aminocarbonyl)oxy)-5-bromo-, phenyl ester"	"EPA_DSSTox"	"NC(=O)OC1=C(C=C(Br)C=C1)C(=O)OC1=CC=CC=C1"	"NC(=O)OC1C=CC(Br)=CC=1C(=O)OC1=CC=CC=C1"	"?"	"InChI=1S/C14H10BrNO4/c15-9-6-7-12(20-14(16)18)11(8-9)13(17)19-10-4-2-1-3-5-10/h1-8H,(H2,16,18)"	"QMOXBJDDWVEGSW-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1311"	"123-28-4"	"DTXSID2026999"	"Propanoic acid, 3,3'-thiobis-, didodecyl ester"	"EPA_DSSTox"	"CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC"	"CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC"	"?"	"InChI=1S/C30H58O4S/c1-3-5-7-9-11-13-15-17-19-21-25-33-29(31)23-27-35-28-24-30(32)34-26-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3"	"GHKOFFNLGXMVNJ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1312"	"1239-29-8"	"DTXSID7046889"	"Furazabol"	"EPA_DSSTox"	"C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC5=NON=C5C[C@]4(C)[C@H]3CC[C@]12C"	"CC12CCC3C(CCC4CC5=NON=C5CC43C)C1CCC2(C)O"	"?"	"InChI=1S/C20H30N2O2/c1-18-11-17-16(21-24-22-17)10-12(18)4-5-13-14(18)6-8-19(2)15(13)7-9-20(19,3)23/h12-15,23H,4-11H2,1-3H3"	"RGLLOUBXMOGLDQ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1313"	"131707-23-8"			"Public_CrossChecked"	"Cl.CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12"	"CN(C)CC1C(O)=C(Br)C=C2C=1C(=C(CSC1C=CC=CC=1)N2C)C(=O)OCC"	"Cl"	"InChI=1S/C22H25BrN2O3S/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3"	"KCFYEAOKVJSACF-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1314"	"13403-01-5"	"DTXSID50864396"	"Butanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-"	"EPA_DSSTox"	"CCC(OC1=CC=C(C=C1C(C)(C)CC)C(C)(C)CC)C(O)=O"	"CC(C)(CC)C1C=C(C=CC=1OC(CC)C(O)=O)C(C)(C)CC"	"?"	"InChI=1S/C20H32O3/c1-8-16(18(21)22)23-17-12-11-14(19(4,5)9-2)13-15(17)20(6,7)10-3/h11-13,16H,8-10H2,1-7H3,(H,21,22)"	"PHCYXPLSQNMCRY-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1315"	"135302-13-5"	"DTXSID60888962"	"3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-methoxy-4-methyl-"	"EPA_DSSTox"	"COC1=NNC(=O)N1C"	"COC1N=NC(=O)N1C"	"?"	"InChI=1S/C4H7N3O2/c1-7-3(8)5-6-4(7)9-2/h4H,1-2H3"	"RTOQTCDUYVGRPX-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1316"	"14047-29-1"			"Public_CrossChecked"	"OB(O)c1ccc(cc1)C(O)=O"	"OC(=O)C1=CC=C(C=C1)B(O)O"	"?"	"InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)"	"SIAVMDKGVRXFAX-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1317"	"148477-71-8"	"DTXSID6034928"	"Spirodiclofen"	"EPA_DSSTox"	"CCC(C)(C)C(=O)OC1=C(C(=O)OC11CCCCC1)C1=CC(Cl)=CC(Cl)=C1"	"CC(C)(CC)C(=O)OC1=C(C2C=C(Cl)C=C(Cl)C=2)C(=O)OC21CCCCC2"	"?"	"InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(13-10-14(22)12-15(23)11-13)18(24)27-21(17)8-6-5-7-9-21/h10-12H,4-9H2,1-3H3"	"OYNVHVAEOLJJPV-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1318"	"16150-45-1"	"DTXSID20167164"	"Cromophene"	"EPA_DSSTox"	"CCOC(=O)C1=CC(=O)C2=C(O1)C=CC=C2OCC(O)COC1=CC=CC2=C1C(=O)C=C(O2)C(=O)OCC"	"CCOC(=O)C1=CC(=O)C2C(=CC=CC=2OCC(O)COC2C=CC=C3OC(=CC(=O)C=23)C(=O)OCC)O1"	"?"	"InChI=1S/C27H24O11/c1-3-33-26(31)22-11-16(29)24-18(7-5-9-20(24)37-22)35-13-15(28)14-36-19-8-6-10-21-25(19)17(30)12-23(38-21)27(32)34-4-2/h5-12,15,28H,3-4,13-14H2,1-2H3"	"KRBBSLDXYDBFEC-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1319"	"17438-89-0"	"DTXSID3029314"	"1-Decene, dimer"	"EPA_DSSTox"	"CCCCCCCCC(C)CCCCCCCCC=C"	"CCCCCCCCC(C)CCCCCCCCC=C"	"?"	"InChI=1S/C20H40/c1-4-6-8-10-12-13-15-17-19-20(3)18-16-14-11-9-7-5-2/h4,20H,1,5-19H2,2-3H3"	"PJKDPLADZLQFAS-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1320"	"17696-69-4"	"DTXSID00884983"	"21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, hydrochloride (1:2)"	"EPA_DSSTox"	"Cl.Cl.CC(O)C1=C(C)/C2=C/C3=N/C(=C\C4=C(CCC(O)=O)C(C)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C)=C4C(C)O)/C(CCC(O)=O)=C3C"	"CC1=C(C(C)O)C2=CC3=NC(=CC4NC(C=C5N=C(C=C1N2)C(C)=C5CCC(O)=O)=C(CCC(O)=O)C=4C)C(C(C)O)=C3C |c:10,15,t:6,19|"	"Cl.Cl"	"InChI=1S/C34H38N4O6/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27/h11-14,19-20,36-37,39-40H,7-10H2,1-6H3,(H,41,42)(H,43,44)/b23-11?,24-12?,25-11-,26-13?,27-14-,28-14?,29-12-,30-13-"	"UJKPHYRXOLRVJJ-MLSVHJFASA-N"		"3"	"5"	"FALSE"	"TRUE"
"1321"	"18691-97-9"	"DTXSID0037570"	"Methabenzthiazuron"	"EPA_DSSTox"	"CNC(=O)N(C)C1=NC2=C(S1)C=CC=C2"	"CNC(=O)N(C)C1=NC2C=CC=CC=2S1"	"?"	"InChI=1S/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14)"	"RRVIAQKBTUQODI-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1322"	"19683-09-1"	"DTXSID7066514"	"2H-1-Benzopyran-2-one, 7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-3-phenyl-"	"EPA_DSSTox"	"CC1=NN(N=C1C1=CC=CC=C1)C1=CC=C2C=C(C(=O)OC2=C1)C1=CC=CC=C1"	"CC1=NN(N=C1C1C=CC=CC=1)C1C=C2OC(=O)C(=CC2=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C24H17N3O2/c1-16-23(18-10-6-3-7-11-18)26-27(25-16)20-13-12-19-14-21(17-8-4-2-5-9-17)24(28)29-22(19)15-20/h2-15H,1H3"	"CLBWALOVEYKEEL-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1323"	"20153-98-4"			"Public_CrossChecked"	"COc1cc(cc(OC)c1OC)C(=O)OCCCN1CCCN(CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CC1"	"COC1C=C(C=C(OC)C=1OC)C(=O)OCCCN1CCN(CCC1)CCCOC(=O)C1=CC(OC)=C(OC)C(=C1)OC"	"?"	"InChI=1S/C31H44N2O10/c1-36-24-18-22(19-25(37-2)28(24)40-5)30(34)42-16-8-12-32-10-7-11-33(15-14-32)13-9-17-43-31(35)23-20-26(38-3)29(41-6)27(21-23)39-4/h18-21H,7-17H2,1-6H3"	"QVZCXCJXTMIDME-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1324"	"20541-83-7"			"Public_CrossChecked"	"Cl.Cl.COc1cc(cc(OC)c1OC)C(=O)OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1"	"COC1C=C(C=C(OC)C=1OC)C(=O)OCCOCCN1CCN(CC1)C(C1C=CC=CC=1)C1C=CC(Cl)=CC=1"	"Cl.Cl"	"InChI=1S/C31H37ClN2O6/c1-36-27-21-25(22-28(37-2)30(27)38-3)31(35)40-20-19-39-18-17-33-13-15-34(16-14-33)29(23-7-5-4-6-8-23)24-9-11-26(32)12-10-24/h4-12,21-22,29H,13-20H2,1-3H3"	"DTBRWRUNMBOOFG-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1325"	"224785-90-4"	"DTXSID3048318"	"Vardenafil"	"EPA_DSSTox"	"CCCC1=NC(C)=C2N1NC(=NC2=O)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(CC)CC1"	"CC1N=C(CCC)N2NC(=NC(=O)C2=1)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(CC1)CC"	"?"	"InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)"	"SECKRCOLJRRGGV-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1326"	"24477-37-0"	"DTXSID00179245"	"Glisolamide"	"EPA_DSSTox"	"CC1=CC(=NO1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1"	"CC1=CC(=NO1)C(=O)NCCC1C=CC(=CC=1)S(=O)(=O)NC(=O)NC1CCCCC1"	"?"	"InChI=1S/C20H26N4O5S/c1-14-13-18(23-29-14)19(25)21-12-11-15-7-9-17(10-8-15)30(27,28)24-20(26)22-16-5-3-2-4-6-16/h7-10,13,16H,2-6,11-12H2,1H3,(H,21,25)(H2,22,24,26)"	"GZKDXUIWCNCNBJ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1327"	"2507-91-7"			"Public_CrossChecked"	"CCOC(C)C(C=NNC(N)=S)=NNC(N)=S"	"CC(OCC)C(C=NNC(N)=S)N=NC(N)=S"	"?"	"InChI=1S/C8H16N6OS2/c1-3-15-5(2)6(12-14-8(10)17)4-11-13-7(9)16/h4-6H,3H2,1-2H3,(H2,10,17)(H3,9,13,16)"	"HUQHXXBCEISEBO-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1328"	"26807-65-8"	"DTXSID7044633"	"Indapamide"	"EPA_DSSTox"	"CC1CC2=C(C=CC=C2)N1NC(=O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O"	"CC1CC2C=CC=CC=2N1NC(=O)C1C=C(C(Cl)=CC=1)S(N)(=O)=O"	"?"	"InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)"	"NDDAHWYSQHTHNT-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1329"	"30299-08-2"	"DTXSID6046638"	"Clinofibrate"	"EPA_DSSTox"	"CCC(C)(OC1=CC=C(C=C1)C1(CCCCC1)C1=CC=C(OC(C)(CC)C(O)=O)C=C1)C(O)=O"	"CC(CC)(OC1C=CC(=CC=1)C1(CCCCC1)C1C=CC(=CC=1)OC(C)(CC)C(O)=O)C(O)=O"	"?"	"InChI=1S/C28H36O6/c1-5-26(3,24(29)30)33-22-14-10-20(11-15-22)28(18-8-7-9-19-28)21-12-16-23(17-13-21)34-27(4,6-2)25(31)32/h10-17H,5-9,18-19H2,1-4H3,(H,29,30)(H,31,32)"	"BMOVQUBVGICXQN-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1330"	"3182-02-3"	"DTXSID7062900"	"3H-Pyrazol-3-one, 5-[(2,4-dichlorophenyl)amino]-2,4-dihydro-2-(2,4,6-trichlorophenyl)-"	"EPA_DSSTox"	"ClC1=CC(Cl)=C(NC2=NN(C(=O)C2)C2=C(Cl)C=C(Cl)C=C2Cl)C=C1"	"O=C1CC(NC2C=CC(Cl)=CC=2Cl)=NN1C1C(Cl)=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C15H8Cl5N3O/c16-7-1-2-12(9(18)3-7)21-13-6-14(24)23(22-13)15-10(19)4-8(17)5-11(15)20/h1-5H,6H2,(H,21,22)"	"SFHFZFPJBHUPNX-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1331"	"3352-87-2"	"DTXSID5044655"	"N,N-Diethyldodecanamide"	"EPA_DSSTox"	"CCCCCCCCCCCC(=O)N(CC)CC"	"CCCCCCCCCCCC(=O)N(CC)CC"	"?"	"InChI=1S/C16H33NO/c1-4-7-8-9-10-11-12-13-14-15-16(18)17(5-2)6-3/h4-15H2,1-3H3"	"CWNSVVHTTQBGQB-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1332"	"33956-61-5"	"DTXSID1058058"	"Tetranactin"	"EPA_DSSTox"	"CC[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](CC)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O1"	"CC1C2CCC(CC(CC)OC(=O)C(C)C3CCC(CC(CC)OC(=O)C(C)C4CCC(CC(CC)OC(=O)C(C)C5CCC(CC(CC)OC1=O)O5)O4)O3)O2"	"?"	"InChI=1S/C44H72O12/c1-9-29-21-33-13-17-38(49-33)26(6)42(46)54-31(11-3)23-35-15-19-40(51-35)28(8)44(48)56-32(12-4)24-36-16-20-39(52-36)27(7)43(47)55-30(10-2)22-34-14-18-37(50-34)25(5)41(45)53-29/h25-40H,9-24H2,1-8H3"	"NKNPHSJWQZXWIX-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1333"	"34973-08-5"	"DTXSID10188520"	"Luprolite acetate"	"EPA_DSSTox"	"CC(O)=O.CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O"	"CC(C)CC(NC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC1=CNC2C=CC=CC1=2)NC(=O)C(CC1=CN=CN1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(N)=O"	"OC(=O)C"	"InChI=1S/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)"	"XLXSAKCOAKORKW-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1334"	"361366-16-7"			"Public_CrossChecked"	"CCOC(=O)C1(CCCCC1)OC(=O)Cc1ccc(Cl)cc1Cl"	"CCOC(=O)C1(CCCCC1)OC(=O)CC1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C17H20Cl2O4/c1-2-22-16(21)17(8-4-3-5-9-17)23-15(20)10-12-6-7-13(18)11-14(12)19/h6-7,11H,2-5,8-10H2,1H3"	"RDKYUGAYISTHTP-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1335"	"37693-01-9"	"DTXSID5045889"	"Clofoctol"	"EPA_DSSTox"	"CC(C)(C)CC(C)(C)C1=CC=C(O)C(CC2=CC=C(Cl)C=C2Cl)=C1"	"CC(C)(C)CC(C)(C)C1C=C(CC2C=CC(Cl)=CC=2Cl)C(O)=CC=1"	"?"	"InChI=1S/C21H26Cl2O/c1-20(2,3)13-21(4,5)16-7-9-19(24)15(11-16)10-14-6-8-17(22)12-18(14)23/h6-9,11-12,24H,10,13H2,1-5H3"	"HQVZOORKDNCGCK-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1336"	"39205-83-9"	"DTXSID00192459"	"1-(2-Hydroxyethyl)-3-nitro-4-pyrazolecarboxamide"	"EPA_DSSTox"	"NC(=O)C1=CN(CCO)N=C1[N+]([O-])=O"	"NC(=O)C1=CN(CCO)N=C1[N+]([O-])=O"	"?"	"InChI=1S/C6H8N4O4/c7-5(12)4-3-9(1-2-11)8-6(4)10(13)14/h3,11H,1-2H2,(H2,7,12)"	"LOIDMDPCSBUPCZ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1337"	"41400-85-5"			"Public_CrossChecked"	"OCC(O)COc1nn(Cc2ccccc2)c2ccccc12"	"OCC(O)COC1=NN(CC2C=CC=CC=2)C2C=CC=CC=21"	"?"	"InChI=1S/C17H18N2O3/c20-11-14(21)12-22-17-15-8-4-5-9-16(15)19(18-17)10-13-6-2-1-3-7-13/h1-9,14,20-21H,10-12H2"	"DNRGADIEZZFWOT-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1338"	"434-05-9"			"Public_CrossChecked"	"CC(=O)OC1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C"	"CC(=O)OC1CCC2C3CCC4CC(=O)C=C(C)C4(C)C3CCC12C"	"?"	"InChI=1S/C22H32O3/c1-13-11-16(24)12-15-5-6-17-18-7-8-20(25-14(2)23)21(18,3)10-9-19(17)22(13,15)4/h11,15,17-20H,5-10,12H2,1-4H3"	"PGAUJQOPTMSERF-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1339"	"47662-72-6"	"DTXSID70197239"	"ML 1037"	"EPA_DSSTox"	"CCN(CC)CCOC(=O)C1=CC=C(NC(=O)C(C)(C)OC2=CC=CC=C2Cl)C=C1"	"CC(C)(OC1C=CC=CC=1Cl)C(=O)NC1C=CC(=CC=1)C(=O)OCCN(CC)CC"	"?"	"InChI=1S/C23H29ClN2O4/c1-5-26(6-2)15-16-29-21(27)17-11-13-18(14-12-17)25-22(28)23(3,4)30-20-10-8-7-9-19(20)24/h7-14H,5-6,15-16H2,1-4H3,(H,25,28)"	"NVOZYHBMINYHQA-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1340"	"51287-57-1"	"DTXSID70199278"	"Denotivir"	"EPA_DSSTox"	"CC1=NSC(NC(=O)C2=CC=CC=C2)=C1C(=O)NC1=CC=C(Cl)C=C1"	"CC1=NSC(NC(=O)C2C=CC=CC=2)=C1C(=O)NC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C18H14ClN3O2S/c1-11-15(17(24)20-14-9-7-13(19)8-10-14)18(25-22-11)21-16(23)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,24)(H,21,23)"	"ZPBLNADJHWHOEP-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1341"	"51867-77-7"	"DTXSID3068677"	"2-Naphthalenecarboxylic acid, 4-[(2,5-dichlorophenyl)azo]-3-hydroxy-"	"EPA_DSSTox"	"OC(=O)C1=C(O)C(N=NC2=C(Cl)C=CC(Cl)=C2)=C2C=CC=CC2=C1"	"OC1C(=CC2C=CC=CC=2C=1N=NC1C=C(Cl)C=CC=1Cl)C(O)=O"	"?"	"InChI=1S/C17H10Cl2N2O3/c18-10-5-6-13(19)14(8-10)20-21-15-11-4-2-1-3-9(11)7-12(16(15)22)17(23)24/h1-8,22H,(H,23,24)"	"RZUULGTVQSQSES-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1342"	"5287-46-7"	"DTXSID60200908"	"Prenisteine"	"EPA_DSSTox"	"CC(C)=CCSC[C@H](N)C(O)=O"	"CC(C)=CCSCC(N)C(O)=O"	"?"	"InChI=1S/C8H15NO2S/c1-6(2)3-4-12-5-7(9)8(10)11/h3,7H,4-5,9H2,1-2H3,(H,10,11)"	"ULHWZNASVJIOEM-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1343"	"54029-21-9"	"DTXSID50202370"	"Carbamic acid, (5-(phenylmethoxy)-1H-benzimidazol-2-yl)-, methyl ester"	"EPA_DSSTox"	"COC(=O)NC1=NC2=C(N1)C=C(OCC1=CC=CC=C1)C=C2"	"COC(=O)NC1NC2C=C(C=CC=2N=1)OCC1C=CC=CC=1"	"?"	"InChI=1S/C16H15N3O3/c1-21-16(20)19-15-17-13-8-7-12(9-14(13)18-15)22-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,17,18,19,20)"	"XVPRZCQQEOPOEX-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1344"	"546-56-5"	"DTXSID5052206"	"Octaphenylcyclotetrasiloxane"	"EPA_DSSTox"	"O1[Si](O[Si](O[Si](O[Si]1(C1=CC=CC=C1)C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1"	"C1=CC=CC=C1[Si]1(O[Si](O[Si](O[Si](O1)(C1C=CC=CC=1)C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C48H40O4Si4/c1-9-25-41(26-10-1)53(42-27-11-2-12-28-42)49-54(43-29-13-3-14-30-43,44-31-15-4-16-32-44)51-56(47-37-21-7-22-38-47,48-39-23-8-24-40-48)52-55(50-53,45-33-17-5-18-34-45)46-35-19-6-20-36-46/h1-40H"	"VSIKJPJINIDELZ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1345"	"55079-83-9"	"DTXSID6022553"	"Acitretin"	"EPA_DSSTox"	"COC1=C(C)C(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)C(C)=C1"	"CC(=CC(O)=O)C=CC=C(C)C=CC1=C(C)C(C)=C(C=C1C)OC"	"?"	"InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)"	"IHUNBGSDBOWDMA-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1346"	"56-53-1"	"DTXSID3020465"	"Diethylstilbestrol"	"EPA_DSSTox"	"CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1"	"CCC(C1C=CC(O)=CC=1)=C(CC)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3"	"RGLYKWWBQGJZGM-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1347"	"56903-66-3"	"DTXSID70205444"	"2-Benzofurancarboxamide, N-(3-(1,3-benzodioxol-5-yl)-1-(2-(1,3-benzodioxol-5-yl)ethyl)propyl)-"	"EPA_DSSTox"	"O=C(NC(CCC1=CC2=C(OCO2)C=C1)CCC1=CC2=C(OCO2)C=C1)C1=CC2=CC=CC=C2O1"	"O=C(NC(CCC1=CC2OCOC=2C=C1)CCC1=CC2OCOC=2C=C1)C1=CC2C=CC=CC=2O1"	"?"	"InChI=1S/C28H25NO6/c30-28(27-15-20-3-1-2-4-22(20)35-27)29-21(9-5-18-7-11-23-25(13-18)33-16-31-23)10-6-19-8-12-24-26(14-19)34-17-32-24/h1-4,7-8,11-15,21H,5-6,9-10,16-17H2,(H,29,30)"	"KGQCVLSQDJPTKZ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1348"	"5870-29-1"	"DTXSID9045390"	"Cyclopentolate hydrochloride"	"EPA_DSSTox"	"Cl.CN(C)CCOC(=O)C(C1=CC=CC=C1)C1(O)CCCC1"	"CN(C)CCOC(=O)C(C1C=CC=CC=1)C1(O)CCCC1"	"Cl"	"InChI=1S/C17H25NO3/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3"	"SKYSRIRYMSLOIN-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1349"	"60012-90-0"			"Public_CrossChecked"	"O=C1OC(CN2CCOCC2)CC11CC(CN2CCOCC2)OC1=O"	"O=C1OC(CC21CC(CN1CCOCC1)OC2=O)CN1CCOCC1"	"?"	"InChI=1S/C17H26N2O6/c20-15-17(9-13(24-15)11-18-1-5-22-6-2-18)10-14(25-16(17)21)12-19-3-7-23-8-4-19/h13-14H,1-12H2"	"AAVPUQJBIGGEBV-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1350"	"61788-44-1"	"DTXSID8028052"	"Styrenated phenol"	"EPA_DSSTox"	"OC1=C(C=C)C=C(C=C)C=C1"	"C=CC1C=C(C=CC=1O)C=C"	"?"	"InChI=1S/C10H10O/c1-3-8-5-6-10(11)9(4-2)7-8/h3-7,11H,1-2H2"	"GZGSEMRMKBBQGA-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1351"	"63394-05-8"	"DTXSID1023491"	"Plafibride"	"EPA_DSSTox"	"CC(C)(OC1=CC=C(Cl)C=C1)C(=O)NC(=O)NCN1CCOCC1"	"CC(C)(OC1C=CC(Cl)=CC=1)C(=O)NC(=O)NCN1CCOCC1"	"?"	"InChI=1S/C16H22ClN3O4/c1-16(2,24-13-5-3-12(17)4-6-13)14(21)19-15(22)18-11-20-7-9-23-10-8-20/h3-6H,7-11H2,1-2H3,(H2,18,19,21,22)"	"DDDQVDIPBFGVIG-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1352"	"63927-95-7"	"DTXSID50213724"	"Bentemazole"	"EPA_DSSTox"	"C(N1C=CN=C1C1=NNN=N1)C1=CC=CC=C1"	"C(C1C=CC=CC=1)N1C=CN=C1C1=NNN=N1"	"?"	"InChI=1S/C11H10N6/c1-2-4-9(5-3-1)8-17-7-6-12-11(17)10-13-15-16-14-10/h1-7H,8H2,(H,13,14,15,16)"	"YIMUZODUAWKOQL-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1353"	"66125-72-2"	"DTXSID40216325"	"2,2-Diethyl-2,3,5,10-tetrahydro-1H-pyrazolo(1,2-b)phthalazine-1,3-dione"	"EPA_DSSTox"	"CCC1(CC)C(=O)N2CC3=CC=CC=C3CN2C1=O"	"CCC1(CC)C(=O)N2CC3=CC=CC=C3CN2C1=O"	"?"	"InChI=1S/C15H18N2O2/c1-3-15(4-2)13(18)16-9-11-7-5-6-8-12(11)10-17(16)14(15)19/h5-8H,3-4,9-10H2,1-2H3"	"LFQMTRPJSNJBCF-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1354"	"67542-43-2"			"Public_CrossChecked"	"CC(=O)Nc1ccc(OC(=O)c2cccs2)cc1"	"CC(=O)NC1C=CC(=CC=1)OC(=O)C1=CC=CS1"	"?"	"InChI=1S/C13H11NO3S/c1-9(15)14-10-4-6-11(7-5-10)17-13(16)12-3-2-8-18-12/h2-8H,1H3,(H,14,15)"	"FGNYPSLGEUCLPH-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1355"	"69-74-9"	"DTXSID5024891"	"Cytarabine hydrochloride"	"EPA_DSSTox"	"Cl.NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O"	"NC1C=CN(C2OC(CO)C(O)C2O)C(=O)N=1"	"Cl"	"InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)"	"UHDGCWIWMRVCDJ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1356"	"693-23-2"	"DTXSID3027297"	"Dodecanedioic acid"	"EPA_DSSTox"	"OC(=O)CCCCCCCCCCC(O)=O"	"OC(=O)CCCCCCCCCCC(O)=O"	"?"	"InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)"	"TVIDDXQYHWJXFK-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1357"	"70198-17-3"	"DTXSID8072039"	"Ethanol, 2-[[4-[(6-chloro-2-benzothiazolyl)azo]phenyl]ethylamino]-, acetate (ester)"	"EPA_DSSTox"	"CCN(CCOC(C)=O)C1=CC=C(C=C1)N=NC1=NC2=CC=C(Cl)C=C2S1"	"CC(=O)OCCN(CC)C1C=CC(=CC=1)N=NC1=NC2C=CC(Cl)=CC=2S1"	"?"	"InChI=1S/C19H19ClN4O2S/c1-3-24(10-11-26-13(2)25)16-7-5-15(6-8-16)22-23-19-21-17-9-4-14(20)12-18(17)27-19/h4-9,12H,3,10-11H2,1-2H3"	"ULNIIFVEDJYBOZ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1358"	"70942-01-7"	"DTXSID9029807"	"Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, potassium sodium salt"	"EPA_DSSTox"	"[Na+].[K+].OCCN(CCO)C1=NC(NC2=CC=C(\C=C\C3=CC=C(NC4=NC(NC5=CC=CC=C5)=NC(=N4)N(CCO)CCO)C=C3S([O-])(=O)=O)C(=C2)S([O-])(=O)=O)=NC(NC2=CC=CC=C2)=N1"	"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+].[K+]"	"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"		"3"	"5"	"FALSE"	"TRUE"
"1359"	"72064-79-0"	"DTXSID3023506"	"Prednisolone valerate acetate"	"EPA_DSSTox"	"CCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(C)=O"	"CC(=O)OCC(=O)C1(CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C)OC(=O)CCCC"	"?"	"InChI=1S/C28H38O7/c1-5-6-7-24(33)35-28(23(32)16-34-17(2)29)13-11-21-20-9-8-18-14-19(30)10-12-26(18,3)25(20)22(31)15-27(21,28)4/h10,12,14,20-22,25,31H,5-9,11,13,15-16H2,1-4H3"	"DGYSDXLCLKPUBR-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1360"	"73-31-4"	"DTXSID1022421"	"Melatonin"	"EPA_DSSTox"	"COC1=CC2=C(NC=C2CCNC(C)=O)C=C1"	"CC(=O)NCCC1=CNC2C=CC(=CC1=2)OC"	"?"	"InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)"	"DRLFMBDRBRZALE-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1361"	"74014-51-0"	"DTXSID6023521"	"Propionylleucomycin"	"EPA_DSSTox"	"CCCC(=O)O[C@H]1[C@H](C)O[C@H](C[C@@]1(C)OC(=O)CC)O[C@@H]1[C@@H](C)O[C@@H](O[C@H]2[C@@H](CC=O)C[C@@H](C)[C@@H](O)\C=C\C=C\C[C@@H](C)OC(=O)C[C@@H](O)[C@@H]2OC)[C@H](O)[C@H]1N(C)C"	"COC1C(OC2OC(C)C(OC3CC(C)(OC(=O)CC)C(OC(=O)CCC)C(C)O3)C(C2O)N(C)C)C(CC=O)CC(C)C(O)C=CC=CCC(C)OC(=O)CC1O"	"?"	"InChI=1S/C42H69NO15/c1-11-16-32(48)55-40-27(6)53-34(23-42(40,7)58-31(47)12-2)56-37-26(5)54-41(36(50)35(37)43(8)9)57-38-28(19-20-44)21-24(3)29(45)18-15-13-14-17-25(4)52-33(49)22-30(46)39(38)51-10/h13-15,18,20,24-30,34-41,45-46,50H,11-12,16-17,19,21-23H2,1-10H3"	"VYWWNRMSAPEJLS-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1362"	"74531-88-7"	"DTXSID20225536"	"Tioxamast"	"EPA_DSSTox"	"CCOC(=O)C(=O)NC1=NC(=CS1)C1=CC=C(OC)C=C1"	"COC1C=CC(=CC=1)C1=CSC(NC(=O)C(=O)OCC)=N1"	"?"	"InChI=1S/C14H14N2O4S/c1-3-20-13(18)12(17)16-14-15-11(8-21-14)9-4-6-10(19-2)7-5-9/h4-8H,3H2,1-2H3,(H,15,16,17)"	"ROVWYOFNUFLLNL-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1363"	"75708-29-1"			"Public_CrossChecked"	"O.Cl.CC(C)(CCn1c2ccccc2[nH]c1=O)NCC(O)COc1cccc2ccccc12"	"CC(C)(CC[n]1c(=O)[nH]c2ccccc12)NCC(O)COC1C=CC=C2C=CC=CC2=1"	"O.Cl"	"InChI=1S/C25H29N3O3/c1-25(2,14-15-28-22-12-6-5-11-21(22)27-24(28)30)26-16-19(29)17-31-23-13-7-9-18-8-3-4-10-20(18)23/h3-13,19,26,29H,14-17H2,1-2H3,(H,27,30)"	"YWRIUGFSIQMHJK-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1364"	"77234-90-3"			"Public_CrossChecked"	"Cl.OC(Cn1ccnc1)c1ccc(CCc2ccccc2)cc1"	"OC(CN1C=NC=C1)C1C=CC(CCC2C=CC=CC=2)=CC=1"	"Cl"	"InChI=1S/C19H20N2O/c22-19(14-21-13-12-20-15-21)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-13,15,19,22H,6-7,14H2"	"IAWIJHCUEPVIOO-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1365"	"79660-72-3"	"DTXSID1046714"	"Fleroxacin"	"EPA_DSSTox"	"CN1CCN(CC1)C1=C(F)C=C2C(=O)C(=CN(CCF)C2=C1F)C(O)=O"	"CN1CCN(CC1)C1C(F)=C2C(=CC=1F)C(=O)C(=CN2CCF)C(O)=O"	"?"	"InChI=1S/C17H18F3N3O3/c1-21-4-6-22(7-5-21)15-12(19)8-10-14(13(15)20)23(3-2-18)9-11(16(10)24)17(25)26/h8-9H,2-7H2,1H3,(H,25,26)"	"XBJBPGROQZJDOJ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1366"	"81529-70-6"	"DTXSID70231182"	"Acetic acid, oxo((4-phenyl-2-thiazolyl)amino)-, 2-ethoxyethyl ester"	"EPA_DSSTox"	"CCOCCOC(=O)C(=O)NC1=NC(=CS1)C1=CC=CC=C1"	"CCOCCOC(=O)C(=O)NC1=NC(=CS1)C1C=CC=CC=1"	"?"	"InChI=1S/C15H16N2O4S/c1-2-20-8-9-21-14(19)13(18)17-15-16-12(10-22-15)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,16,17,18)"	"ZOOQXNXFZXSKMS-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1367"	"82958-11-0"			"Public_CrossChecked"	"CC[C@@]12CCCN3CCc4c([C@H]13)n(C(=C2)C(=O)OC1OC(=O)c2ccccc12)c1ccccc41"	"CCC12CCCN3CCC4=C(C13)N(C(=C2)C(=O)OC1OC(=O)C2C=CC=CC=21)C1C=CC=CC4=1"	"?"	"InChI=1S/C28H26N2O4/c1-2-28-13-7-14-29-15-12-18-17-8-5-6-11-21(17)30(23(18)24(28)29)22(16-28)26(32)34-27-20-10-4-3-9-19(20)25(31)33-27/h3-6,8-11,16,24,27H,2,7,12-15H2,1H3"	"PEZLCFUBKMKIJA-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1368"	"83647-97-6"	"DTXSID1044300"	"Spirapril"	"EPA_DSSTox"	"CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2"	"CC(NC(CCC1C=CC=CC=1)C(=O)OCC)C(=O)N1CC2(CC1C(O)=O)SCCS2"	"?"	"InChI=1S/C22H30N2O5S2/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27)"	"HRWCVUIFMSZDJS-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1369"	"87-08-1"	"DTXSID3023429"	"Penicillin V"	"EPA_DSSTox"	"CC1(C)S[C@@H]2[C@H](NC(=O)COC3=CC=CC=C3)C(=O)N2[C@H]1C(O)=O"	"CC1(C)SC2C(NC(=O)COC3C=CC=CC=3)C(=O)N2C1C(O)=O"	"?"	"InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)"	"BPLBGHOLXOTWMN-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1370"	"88599-32-0"	"DTXSID80237170"	"Ethyl 2-carbamoyloxybenzoate"	"EPA_DSSTox"	"CCOC(=O)C1=CC=CC=C1OC(N)=O"	"CCOC(=O)C1=CC=CC=C1OC(N)=O"	"?"	"InChI=1S/C10H11NO4/c1-2-14-9(12)7-5-3-4-6-8(7)15-10(11)13/h3-6H,2H2,1H3,(H2,11,13)"	"JFMIIMPCFQKAAD-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1371"	"88599-38-6"	"DTXSID20237174"	"Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)C1=C(OC(N)=O)C=CC(Cl)=C1"	"CCOC(=O)C1=CC(Cl)=CC=C1OC(N)=O"	"?"	"InChI=1S/C10H10ClNO4/c1-2-15-9(13)7-5-6(11)3-4-8(7)16-10(12)14/h3-5H,2H2,1H3,(H2,12,14)"	"HZMSXSATHGSRPG-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1372"	"88599-46-6"	"DTXSID60237178"	"Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, phenyl ester"	"EPA_DSSTox"	"NC(=O)OC1=C(C=C(Cl)C=C1)C(=O)OC1=CC=CC=C1"	"NC(=O)OC1=CC=C(Cl)C=C1C(=O)OC1=CC=CC=C1"	"?"	"InChI=1S/C14H10ClNO4/c15-9-6-7-12(20-14(16)18)11(8-9)13(17)19-10-4-2-1-3-5-10/h1-8H,(H2,16,18)"	"YZNLMUXTIKMDKC-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1373"	"88599-50-2"	"DTXSID50237182"	"Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-methylphenyl ester"	"EPA_DSSTox"	"CC1=CC=C(OC(=O)C2=CC=CC=C2OC(N)=O)C=C1"	"CC1=CC=C(C=C1)OC(=O)C1=CC=CC=C1OC(N)=O"	"?"	"InChI=1S/C15H13NO4/c1-10-6-8-11(9-7-10)19-14(17)12-4-2-3-5-13(12)20-15(16)18/h2-9H,1H3,(H2,16,18)"	"RAZVJSXMXSJFPT-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1374"	"88599-65-9"	"DTXSID90237186"	"Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 2,4-dichlorophenyl ester"	"EPA_DSSTox"	"NC(=O)OC1=C(C=C(Cl)C=C1)C(=O)OC1=C(Cl)C=C(Cl)C=C1"	"NC(=O)OC1=CC=C(Cl)C=C1C(=O)OC1=CC=C(Cl)C=C1Cl"	"?"	"InChI=1S/C14H8Cl3NO4/c15-7-1-3-11(22-14(18)20)9(5-7)13(19)21-12-4-2-8(16)6-10(12)17/h1-6H,(H2,18,20)"	"MJDADXLDQAHTCI-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1375"	"88599-71-7"	"DTXSID70237189"	"Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-methoxyphenyl ester"	"EPA_DSSTox"	"COC1=CC=C(OC(=O)C2=CC=CC=C2OC(N)=O)C=C1"	"COC1=CC=C(C=C1)OC(=O)C1=CC=CC=C1OC(N)=O"	"?"	"InChI=1S/C15H13NO5/c1-19-10-6-8-11(9-7-10)20-14(17)12-4-2-3-5-13(12)21-15(16)18/h2-9H,1H3,(H2,16,18)"	"UCZULMHFJYGVSR-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1376"	"88977-22-4"			"Public_CrossChecked"	"COC(=O)C1=C(C)NC(C)=C(C1c1cccc2nonc12)C(=O)OC(C)C"	"CC(C)OC(=O)C1C(C(C(=O)OC)C(C)=NC=1C)C1=CC=CC2=NON=C21"	"?"	"InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,14,16H,1-5H3"	"QVGAECMHUSHDCG-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1377"	"9004-54-0"			"Public_CrossChecked"	"OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O"	"OC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C(O)C(O)C(=O)CO"	"?"	"InChI=1S/C18H32O16/c19-1-5(21)9(23)10(24)6(22)3-31-17-16(30)14(28)12(26)8(34-17)4-32-18-15(29)13(27)11(25)7(2-20)33-18/h6-20,22-30H,1-4H2"	"PWAYLJFLFFFKEG-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1378"	"947-19-3"	"DTXSID9044748"	"(1-Hydroxycyclohexyl)(phenyl)methanone"	"EPA_DSSTox"	"OC1(CCCCC1)C(=O)C1=CC=CC=C1"	"OC1(CCCCC1)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C13H16O2/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1,3-4,7-8,15H,2,5-6,9-10H2"	"QNODIIQQMGDSEF-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1379"	"99161-62-3"	"DTXSID40243974"	"2(3H)-Benzothiazolone, 6-ethoxy-4-methyl-"	"EPA_DSSTox"	"CCOC1=CC2=C(NC(=O)S2)C(C)=C1"	"CC1=CC(=CC2SC(=O)NC1=2)OCC"	"?"	"InChI=1S/C10H11NO2S/c1-3-13-7-4-6(2)9-8(5-7)14-10(12)11-9/h4-5H,3H2,1-2H3,(H,11,12)"	"CTPPNXZSWAHPNJ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"1380"	"10032-13-0"	"DTXSID4064921"	"Butanoic acid, 3-methyl-, hexyl ester"	"EPA_DSSTox"	"CCCCCCOC(=O)CC(C)C"	"CCCCCCOC(=O)CC(C)C"	"?"	"InChI=1S/C11H22O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h10H,4-9H2,1-3H3"	"RSDDTPVXLMVLQE-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1381"	"10094-34-5"	"DTXSID5038830"	"1,1-Dimethyl-2-phenylethyl butanoate"	"EPA_DSSTox"	"CCCC(=O)OC(C)(C)CC1=CC=CC=C1"	"CCCC(=O)OC(C)(C)CC1C=CC=CC=1"	"?"	"InChI=1S/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3"	"SHSGYHAHMQLYRB-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1382"	"101200-48-0"	"DTXSID8024101"	"Tribenuron-methyl"	"EPA_DSSTox"	"COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)N(C)C1=NC(OC)=NC(C)=N1"	"CC1N=C(N=C(N=1)N(C)C(=O)NS(=O)(=O)C1C=CC=CC=1C(=O)OC)OC"	"?"	"InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)"	"VLCQZHSMCYCDJL-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1383"	"102-77-2"	"DTXSID0021096"	"N-Oxydiethylenebenzothiazole-2-sulfenamide"	"EPA_DSSTox"	"C1CN(CCO1)SC1=NC2=C(S1)C=CC=C2"	"C1COCCN1SC1=NC2C=CC=CC=2S1"	"?"	"InChI=1S/C11H12N2OS2/c1-2-4-10-9(3-1)12-11(15-10)16-13-5-7-14-8-6-13/h1-4H,5-8H2"	"MHKLKWCYGIBEQF-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1384"	"103-17-3"	"DTXSID1041766"	"Chlorbenside"	"EPA_DSSTox"	"ClC1=CC=C(CSC2=CC=C(Cl)C=C2)C=C1"	"ClC1C=CC(CSC2C=CC(Cl)=CC=2)=CC=1"	"?"	"InChI=1S/C13H10Cl2S/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2"	"ZHLKXBJTJHRTTE-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1385"	"103041-38-9"	"DTXSID90475203"	"Ethyl 3-(pyridin-2-ylamino)propanoate"	"EPA_DSSTox"	"CCOC(=O)CCNC1=CC=CC=N1"	"CCOC(=O)CCNC1=CC=CC=N1"	"?"	"InChI=1S/C10H14N2O2/c1-2-14-10(13)6-8-12-9-5-3-4-7-11-9/h3-5,7H,2,6,8H2,1H3,(H,11,12)"	"UITNIDFEANEWPC-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1386"	"103112-36-3"	"DTXSID20145649"	"Fenchlorazole [ISO]"	"EPA_DSSTox"	"OC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C1=C(Cl)C=C(Cl)C=C1"	"OC(=O)C1N=C(N(N=1)C1C=CC(Cl)=CC=1Cl)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C10H4Cl5N3O2/c11-4-1-2-6(5(12)3-4)18-9(10(13,14)15)16-7(17-18)8(19)20/h1-3H,(H,19,20)"	"HKELWJONQIFBPO-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1387"	"103577-45-3"	"DTXSID4023200"	"Lansoprazole"	"EPA_DSSTox"	"CC1=C(OCC(F)(F)F)C=CN=C1CS(=O)C1=NC2=CC=CC=C2N1"	"CC1=C(C=CN=C1CS(=O)C1NC2C=CC=CC=2N=1)OCC(F)(F)F"	"?"	"InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)"	"MJIHNNLFOKEZEW-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1388"	"104-38-1"	"DTXSID5026702"	"2,2'-[1,4-Phenylenebis(oxy)]diethanol"	"EPA_DSSTox"	"OCCOC1=CC=C(OCCO)C=C1"	"OCCOC1C=CC(=CC=1)OCCO"	"?"	"InChI=1S/C10H14O4/c11-5-7-13-9-1-2-10(4-3-9)14-8-6-12/h1-4,11-12H,5-8H2"	"WTPYFJNYAMXZJG-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1389"	"104098-48-8"	"DTXSID5034270"	"Imazapic"	"EPA_DSSTox"	"CC(C)C1(C)NC(=NC1=O)C1=NC=C(C)C=C1C(O)=O"	"CC1C=NC(=C(C=1)C(O)=O)C1NC(C)(C(C)C)C(=O)N=1"	"?"	"InChI=1S/C14H17N3O3/c1-7(2)14(4)13(20)16-11(17-14)10-9(12(18)19)5-8(3)6-15-10/h5-7H,1-4H3,(H,18,19)(H,16,17,20)"	"PVSGXWMWNRGTKE-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1390"	"104931-87-5"	"DTXSID0046694"	"Arbekacin sulfate"	"EPA_DSSTox"	"OS(O)(=O)=O.NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O"	"NC1CCC(CN)OC1OC1C(O)C(OC2OC(CO)C(O)C(N)C2O)C(CC1N)NC(=O)C(O)CCN"	"S(=O)(=O)(O)O"	"InChI=1S/C22H44N6O10/c23-4-3-12(30)20(34)28-11-5-10(26)18(37-21-9(25)2-1-8(6-24)35-21)17(33)19(11)38-22-16(32)14(27)15(31)13(7-29)36-22/h8-19,21-22,29-33H,1-7,23-27H2,(H,28,34)"	"MKKYBZZTJQGVCD-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1391"	"105-89-5"			"Public_CrossChecked"	"CCC(=O)OCCC(C)CCCC(C)=C"	"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/h12H,2,5-10H2,1,3-4H3"	"HIOFEMJTKIEZFX-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1392"	"10519-12-7"	"DTXSID00864285"	"2-Naphthalenol, decahydro-, 2-formate"	"EPA_DSSTox"	"O=COC1CCC2CCCCC2C1"	"O=COC1CC2CCCCC2CC1"	"?"	"InChI=1S/C11H18O2/c12-8-13-11-6-5-9-3-1-2-4-10(9)7-11/h8-11H,1-7H2"	"NMFWOBQDDWFAAB-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1393"	"10591-85-2"	"DTXSID20872988"	"Tetrabenzylthiuram disulfide"	"EPA_DSSTox"	"S=C(SSC(=S)N(CC1=CC=CC=C1)CC1=CC=CC=C1)N(CC1=CC=CC=C1)CC1=CC=CC=C1"	"S=C(SSC(=S)N(CC1C=CC=CC=1)CC1C=CC=CC=1)N(CC1C=CC=CC=1)CC1C=CC=CC=1"	"?"	"InChI=1S/C30H28N2S4/c33-29(31(21-25-13-5-1-6-14-25)22-26-15-7-2-8-16-26)35-36-30(34)32(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28/h1-20H,21-24H2"	"WITDFSFZHZYQHB-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1394"	"106-27-4"	"DTXSID3042059"	"Isopentyl butyrate"	"EPA_DSSTox"	"CCCC(=O)OCCC(C)C"	"CCCC(=O)OCCC(C)C"	"?"	"InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3"	"PQLMXFQTAMDXIZ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1395"	"106-72-9"	"DTXSID8044753"	"2,6-Dimethylhept-5-enal"	"EPA_DSSTox"	"CC(CCC=C(C)C)C=O"	"CC(CCC=C(C)C)C=O"	"?"	"InChI=1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,9H,4,6H2,1-3H3"	"YGFGZTXGYTUXBA-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1396"	"106990-43-6"	"DTXSID9047122"	"1,5,8,12-Tetrakis[4,6-bis(N-butyl-N-1,2,2,6,6-pentamethyl-4-piperidylamino)-1,3,5-triazin-2-yl]-1,5,8,12-tetraazadode..."	"EPA_DSSTox"	"CCCCN(C1CC(C)(C)N(C)C(C)(C)C1)C1=NC(=NC(NCCCN(CCN(CCCNC2=NC(=NC(=N2)N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)C2=NC(=NC(=N2)N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)C2=NC(=NC(=N2)N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)=N1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1"	"CC1(C)CC(CC(C)(C)N1C)N(CCCC)C1N=C(N=C(N=1)N(CCN(CCCNC1N=C(N=C(N=1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)C1=NC(=NC(=N1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)CCCNC1N=C(N=C(N=1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1"	"?"	"InChI=1S/C132H250N32/c1-49-57-71-157(97-81-117(9,10)147(41)118(11,12)82-97)109-135-105(136-110(143-109)158(72-58-50-2)98-83-119(13,14)148(42)120(15,16)84-98)133-67-65-69-155(107-139-113(161(75-61-53-5)101-89-125(25,26)151(45)126(27,28)90-101)145-114(140-107)162(76-62-54-6)102-91-127(29,30)152(46)128(31,32)92-102)79-80-156(108-141-115(163(77-63-55-7)103-93-129(33,34)153(47)130(35,36)94-103)146-116(142-108)164(78-64-56-8)104-95-131(37,38)154(48)132(39,40)96-104)70-66-68-134-106-137-111(159(73-59-51-3)99-85-121(17,18)149(43)122(19,20)86-99)144-112(138-106)160(74-60-52-4)100-87-123(21,22)150(44)124(23,24)88-100/h97-104H,49-96H2,1-48H3,(H,133,135,136,143)(H,134,137,138,144)"	"OWXXKGVQBCBSFJ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1397"	"107-95-9"	"DTXSID0030823"	"beta-Alanine"	"EPA_DSSTox"	"NCCC(O)=O"	"NCCC(O)=O"	"?"	"InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)"	"UCMIRNVEIXFBKS-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1398"	"108640-35-3"	"DTXSID00148658"	"2H-Azepin-2-one, hexahydro-1-(4-(heptylthio)butyl)-"	"EPA_DSSTox"	"CCCCCCCSCCCCN1CCCCCC1=O"	"CCCCCCCSCCCCN1CCCCCC1=O"	"?"	"InChI=1S/C17H33NOS/c1-2-3-4-5-10-15-20-16-11-9-14-18-13-8-6-7-12-17(18)19/h2-16H2,1H3"	"KELJCSWPBKTQDQ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1399"	"109713-79-3"			"Public_CrossChecked"	"COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)CC(C)O"	"CC(O)CC(=O)N1CCN(CC1)C1=NC2C=C(OC)C(=CC=2C(N)=N1)OC"	"?"	"InChI=1S/C18H25N5O4/c1-11(24)8-16(25)22-4-6-23(7-5-22)18-20-13-10-15(27-3)14(26-2)9-12(13)17(19)21-18/h9-11,24H,4-8H2,1-3H3,(H2,19,20,21)"	"IOSMPEJNAQZKJT-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1400"	"110-33-8"	"DTXSID9026841"	"Dihexyl hexanedioate"	"EPA_DSSTox"	"CCCCCCOC(=O)CCCCC(=O)OCCCCCC"	"CCCCCCOC(=O)CCCCC(=O)OCCCCCC"	"?"	"InChI=1S/C18H34O4/c1-3-5-7-11-15-21-17(19)13-9-10-14-18(20)22-16-12-8-6-4-2/h3-16H2,1-2H3"	"HHECSPXBQJHZAF-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1401"	"110235-47-7"	"DTXSID4042121"	"Mepanipyrim"	"EPA_DSSTox"	"CC#CC1=CC(C)=NC(NC2=CC=CC=C2)=N1"	"CC1C=C(C#CC)N=C(NC2C=CC=CC=2)N=1"	"?"	"InChI=1S/C14H13N3/c1-3-7-13-10-11(2)15-14(17-13)16-12-8-5-4-6-9-12/h4-6,8-10H,1-2H3,(H,15,16,17)"	"CIFWZNRJIBNXRE-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1402"	"111-62-6"	"DTXSID3047633"	"Ethyl oleate"	"EPA_DSSTox"	"CCCCCCCC\C=C/CCCCCCCC(=O)OCC"	"CCCCCCCCC=CCCCCCCCC(=O)OCC"	"?"	"InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3"	"LVGKNOAMLMIIKO-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1403"	"1113-21-9"	"DTXSID70883645"	"1,6,10,14-Hexadecatetraen-3-ol, 3,7,11,15-tetramethyl-, (6E,10E)-"	"EPA_DSSTox"	"CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(C)(O)C=C"	"CC(C)=CCCC(C)=CCCC(C)=CCCC(C)(O)C=C"	"?"	"InChI=1S/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,11,13,15,21H,1,8-10,12,14,16H2,2-6H3"	"IQDXAJNQKSIPGB-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1404"	"111991-09-4"	"DTXSID6034764"	"Nicosulfuron"	"EPA_DSSTox"	"COC1=CC(OC)=NC(NC(=O)NS(=O)(=O)C2=NC=CC=C2C(=O)N(C)C)=N1"	"CN(C)C(=O)C1C=CC=NC=1S(=O)(=O)NC(=O)NC1N=C(C=C(N=1)OC)OC"	"?"	"InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)"	"RTCOGUMHFFWOJV-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1405"	"112-32-3"	"DTXSID4059417"	"Formic acid, octyl ester"	"EPA_DSSTox"	"CCCCCCCCOC=O"	"CCCCCCCCOC=O"	"?"	"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-11-9-10/h9H,2-8H2,1H3"	"AVBRYQRTMPHARE-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1406"	"112-86-7"	"DTXSID8026931"	"(13Z)-Docos-13-enoic acid"	"EPA_DSSTox"	"CCCCCCCC\C=C/CCCCCCCCCCCC(O)=O"	"CCCCCCCCC=CCCCCCCCCCCCC(O)=O"	"?"	"InChI=1S/C22H42O2/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,(H,23,24)"	"DPUOLQHDNGRHBS-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1407"	"112832-99-2"	"DTXSID90150189"	"2H-Azepin-2-one, hexahydro-1-(4-(heptyloxy)butyl)-"	"EPA_DSSTox"	"CCCCCCCOCCCCN1CCCCCC1=O"	"CCCCCCCOCCCCN1CCCCCC1=O"	"?"	"InChI=1S/C17H33NO2/c1-2-3-4-5-10-15-20-16-11-9-14-18-13-8-6-7-12-17(18)19/h2-16H2,1H3"	"RGXYETTVSYYCIZ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1408"	"113855-10-0"	"DTXSID80150592"	"1-(2-(Decylthio)ethyl)azacyclopentane-2-one"	"EPA_DSSTox"	"CCCCCCCCCCSCCN1CCCC1=O"	"CCCCCCCCCCSCCN1CCCC1=O"	"?"	"InChI=1S/C16H31NOS/c1-2-3-4-5-6-7-8-9-14-19-15-13-17-12-10-11-16(17)18/h2-15H2,1H3"	"VDPRSOCKHVPZRS-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1409"	"115-99-1"	"DTXSID2047642"	"Linalyl formate"	"EPA_DSSTox"	"CC(C)=CCCC(C)(OC=O)C=C"	"CC(C)=CCCC(C)(C=C)OC=O"	"?"	"InChI=1S/C11H18O2/c1-5-11(4,13-9-12)8-6-7-10(2)3/h5,7,9H,1,6,8H2,2-4H3"	"JZOCDHMHLGUPFI-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1410"	"115964-29-9"	"DTXSID8047842"	"Tosufloxacin toluenesulfonic acid"	"EPA_DSSTox"	"CC1=CC=C(C=C1)S(O)(=O)=O.NC1CCN(C1)C1=NC2=C(C=C1F)C(=O)C(=CN2C1=CC=C(F)C=C1F)C(O)=O"	"NC1CN(CC1)C1=NC2=C(C=C1F)C(=O)C(=CN2C1=CC=C(F)C=C1F)C(O)=O"	"C1(=CC=C(C)C=C1)S(=O)(O)=O"	"InChI=1S/C19H15F3N4O3/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29)"	"WUWFMDMBOJLQIV-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1411"	"1173-88-2"	"DTXSID9048980"	"Oxacillin sodium salt"	"EPA_DSSTox"	"[Na+].CC1=C(C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C([O-])=O)C(=NO1)C1=CC=CC=C1"	"CC1ON=C(C=1C(=O)NC1C2SC(C)(C)C(C(O)=O)N2C1=O)C1C=CC=CC=1"	"[Na+]"	"InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)"	"UWYHMGVUTGAWSP-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1412"	"117718-60-2"	"DTXSID1032488"	"Thiazopyr"	"EPA_DSSTox"	"COC(=O)C1=C(CC(C)C)C(C2=NCCS2)=C(N=C1C(F)F)C(F)(F)F"	"CC(C)CC1=C(C2=NCCS2)C(=NC(C(F)F)=C1C(=O)OC)C(F)(F)F"	"?"	"InChI=1S/C16H17F5N2O2S/c1-7(2)6-8-9(15(24)25-3)11(13(17)18)23-12(16(19,20)21)10(8)14-22-4-5-26-14/h7,13H,4-6H2,1-3H3"	"YIJZJEYQBAAWRJ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1413"	"118-60-5"	"DTXSID7040734"	"2-Ethylhexyl salicylate"	"EPA_DSSTox"	"CCCCC(CC)COC(=O)C1=C(O)C=CC=C1"	"CCCCC(COC(=O)C1C=CC=CC=1O)CC"	"?"	"InChI=1S/C15H22O3/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12,16H,3-5,8,11H2,1-2H3"	"FMRHJJZUHUTGKE-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1414"	"1188-37-0"	"DTXSID3046534"	"N-Acetyl-L-glutamic acid"	"EPA_DSSTox"	"CC(=O)N[C@@H](CCC(O)=O)C(O)=O"	"CC(=O)NC(CCC(O)=O)C(O)=O"	"?"	"InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)"	"RFMMMVDNIPUKGG-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1415"	"120116-88-3"	"DTXSID9034492"	"Cyazofamid"	"EPA_DSSTox"	"CN(C)S(=O)(=O)N1C(=NC(Cl)=C1C1=CC=C(C)C=C1)C#N"	"CN(C)S(=O)(=O)N1C(=C(Cl)N=C1C#N)C1C=CC(C)=CC=1"	"?"	"InChI=1S/C13H13ClN4O2S/c1-9-4-6-10(7-5-9)12-13(14)16-11(8-15)18(12)21(19,20)17(2)3/h4-7H,1-3H3"	"YXKMMRDKEKCERS-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1416"	"121-98-2"	"DTXSID7047645"	"Methyl 4-methoxybenzoate"	"EPA_DSSTox"	"COC(=O)C1=CC=C(OC)C=C1"	"COC(=O)C1C=CC(=CC=1)OC"	"?"	"InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3"	"DDIZAANNODHTRB-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1417"	"122-74-7"	"DTXSID80861757"	"Benzenepropanol, 1-propanoate"	"EPA_DSSTox"	"CCC(=O)OCCCC1=CC=CC=C1"	"CCC(=O)OCCCC1C=CC=CC=1"	"?"	"InChI=1S/C12H16O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3"	"GTNCESCYZPMXCJ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1418"	"12236-86-1"			"Public_CrossChecked"	"[Cu++].OCCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c4nc-5nc(nc6[n-]c(nc7nc(nc([n-]4)c3c2)-c2ccc(cc72)S(O)(=O)=O)c2ccc(cc62)S(O)(=O)=O)c2ccc(cc-52)S(O)(=O)=O)cc1"	"OCCS(=O)(=O)C1C=CC(=CC=1)NS(=O)(=O)C1=CC2=C3NC(N=C4N=C(N=C5NC(=NC6=NC(=N3)C3=CC=C(C=C36)S(O)(=O)=O)C3=CC=C(C=C35)S(O)(=O)=O)C3=CC=C(C=C34)S(O)(=O)=O)=C2C=C1 |c:23,27,30,34|"	"[Cu+2]"	"InChI=1S/C40H27N9O14S5/c50-13-14-64(51,52)20-3-1-19(2-4-20)49-65(53,54)21-5-9-25-29(15-21)37-41-33(25)43-38-31-17-23(67(58,59)60)7-11-27(31)35(45-38)47-40-32-18-24(68(61,62)63)8-12-28(32)36(48-40)46-39-30-16-22(66(55,56)57)6-10-26(30)34(42-37)44-39/h1-12,15-18,49-50H,13-14H2,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H2,41,42,43,44,45,46,47,48)"	"HKTAMWNYHWZEFD-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1419"	"122931-48-0"	"DTXSID1032642"	"Rimsulfuron"	"EPA_DSSTox"	"CCS(=O)(=O)C1=CC=CN=C1S(=O)(=O)NC(=O)NC1=NC(OC)=CC(OC)=N1"	"CCS(=O)(=O)C1=CC=CN=C1S(=O)(=O)NC(=O)NC1=NC(=CC(=N1)OC)OC"	"?"	"InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)"	"MEFOUWRMVYJCQC-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1420"	"123940-93-2"			"Public_CrossChecked"	"CCOC(=O)CCCCCCC=CCC=CCC=CCC=CCC"	"CCOC(=O)CCCCCCC=CCC=CCC=CCC=CCC"	"?"	"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/h5-6,8-9,11-12,14-15H,3-4,7,10,13,16-21H2,1-2H3"	"LKBDTOYINRNCSY-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1421"	"1241-94-7"	"DTXSID1025300"	"2-Ethylhexyl diphenyl phosphate"	"EPA_DSSTox"	"CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1"	"CCC(COP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1)CCCC"	"?"	"InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3"	"CGSLYBDCEGBZCG-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1422"	"125930-50-9"			"Public_CrossChecked"	"CC(O)C(O)C(=O)C(O)C(O)Oc1cccc2C(C3c4cccc(OC(O)C(O)C(=O)C(O)C(C)O)c4C(=O)c4c(O)cc(cc34)C(O)=O)c3cc(cc(O)c3C(=O)c12)C(O)=O"	"CC(O)C(=O)C(O)C(O)C(O)OC1C=CC=C2C(C3C4=CC(=CC(O)=C4C(=O)C4C(=CC=CC=43)OC(O)C(=O)C(O)C(O)C(C)O)C(O)=O)C3=CC(=CC(O)=C3C(=O)C=12)C(O)=O"	"?"	"InChI=1S/C42H38O20/c1-13(43)31(47)35(51)37(53)41(59)61-23-7-3-5-17-25(19-9-15(39(55)56)11-21(45)27(19)33(49)29(17)23)26-18-6-4-8-24(62-42(60)38(54)36(52)32(48)14(2)44)30(18)34(50)28-20(26)10-16(40(57)58)12-22(28)46/h3-14,25-26,31,35-36,38,41-47,51-52,54,59-60H,1-2H3,(H,55,56)(H,57,58)"	"JZLAQQQZYKRNGW-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1423"	"126-30-7"	"DTXSID8027036"	"2,2-Dimethylpropane-1,3-diol"	"EPA_DSSTox"	"CC(C)(CO)CO"	"CC(C)(CO)CO"	"?"	"InChI=1S/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3"	"SLCVBVWXLSEKPL-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1424"	"127-33-3"	"DTXSID1022893"	"Demeclocycline"	"EPA_DSSTox"	"CN(C)[C@H]1[C@@H]2C[C@@H]3[C@H](O)C4=C(C(O)=CC=C4Cl)C(=O)C3=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O"	"CN(C)C1C2CC3C(O)C4C(Cl)=CC=C(O)C=4C(=O)C3=C(O)C2(O)C(=O)C(C(N)=O)=C1O"	"?"	"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"		"4"	"5"	"FALSE"	"TRUE"
"1425"	"128075-79-6"	"DTXSID00155802"	"Lufironil"	"EPA_DSSTox"	"COCCNC(=O)C1=CC(=NC=C1)C(=O)NCCOC"	"COCCNC(=O)C1C=C(C=CN=1)C(=O)NCCOC"	"?"	"InChI=1S/C13H19N3O4/c1-19-7-5-15-12(17)10-3-4-14-11(9-10)13(18)16-6-8-20-2/h3-4,9H,5-8H2,1-2H3,(H,15,17)(H,16,18)"	"JUCNGMPTCXPMNB-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1426"	"130-26-7"	"DTXSID7022837"	"Clioquinol"	"EPA_DSSTox"	"OC1=C2N=CC=CC2=C(Cl)C=C1I"	"OC1=C(I)C=C(Cl)C2C=CC=NC=21"	"?"	"InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H"	"QCDFBFJGMNKBDO-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1427"	"131341-86-1"	"DTXSID2032398"	"Fludioxonil"	"EPA_DSSTox"	"FC1(F)OC2=CC=CC(=C2O1)C1=CNC=C1C#N"	"N#CC1=CNC=C1C1C=CC=C2OC(F)(F)OC=12"	"?"	"InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H"	"MUJOIMFVNIBMKC-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1428"	"132-29-6"	"DTXSID4051665"	"2-Biphenylyl diphenyl phosphate"	"EPA_DSSTox"	"O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=C(C=CC=C1)C1=CC=CC=C1"	"O=P(OC1C=CC=CC=1C1C=CC=CC=1)(OC1C=CC=CC=1)OC1C=CC=CC=1"	"?"	"InChI=1S/C24H19O4P/c25-29(26-21-14-6-2-7-15-21,27-22-16-8-3-9-17-22)28-24-19-11-10-18-23(24)20-12-4-1-5-13-20/h1-19H"	"QARIOUOTENZTDH-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1429"	"132900-75-5"			"Public_CrossChecked"	"Cc1cc(OC(=O)c2ccc(OCCCCOC(=O)C=C)cc2)ccc1OC(=O)c1ccc(OCCCCOC(=O)C=C)cc1"	"CC1C=C(C=CC=1OC(=O)C1C=CC(=CC=1)OCCCCOC(=O)C=C)OC(=O)C1C=CC(=CC=1)OCCCCOC(=O)C=C"	"?"	"InChI=1S/C35H36O10/c1-4-32(36)42-22-8-6-20-40-28-14-10-26(11-15-28)34(38)44-30-18-19-31(25(3)24-30)45-35(39)27-12-16-29(17-13-27)41-21-7-9-23-43-33(37)5-2/h4-5,10-19,24H,1-2,6-9,20-23H2,3H3"	"NLGINBDFXRCWQW-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1430"	"13467-82-8"	"DTXSID4065490"	"Octaneperoxoic acid, 1,1-dimethylethyl ester"	"EPA_DSSTox"	"CCCCCCCC(=O)OOC(C)(C)C"	"CCCCCCCC(=O)OOC(C)(C)C"	"?"	"InChI=1S/C12H24O3/c1-5-6-7-8-9-10-11(13)14-15-12(2,3)4/h5-10H2,1-4H3"	"BWSZXUOMATYHHI-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1431"	"135861-56-2"	"DTXSID4051297"	"1,3:2,4-Bis(3,4-dimethylbenzylidene)-D-sorbitol"	"EPA_DSSTox"	"[H][C@]12COC(O[C@@]1([H])[C@]([H])(OC(O2)C1=CC=C(C)C(C)=C1)[C@H](O)CO)C1=CC=C(C)C(C)=C1"	"CC1=CC=C(C=C1C)C1OCC2OC(OC(C2O1)C(O)CO)C1C=C(C)C(C)=CC=1"	"?"	"InChI=1S/C24H30O6/c1-13-5-7-17(9-15(13)3)23-27-12-20-22(30-23)21(19(26)11-25)29-24(28-20)18-8-6-14(2)16(4)10-18/h5-10,19-26H,11-12H2,1-4H3"	"YWEWWNPYDDHZDI-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1432"	"137-16-6"	"DTXSID0027066"	"Sodium [dodecanoyl(methyl)amino]acetate"	"EPA_DSSTox"	"[Na+].CCCCCCCCCCCC(=O)N(C)CC([O-])=O"	"CCCCCCCCCCCC(=O)N(C)CC(O)=O"	"[Na+]"	"InChI=1S/C15H29NO3/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19/h3-13H2,1-2H3,(H,18,19)"	"BACYUWVYYTXETD-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1433"	"138495-42-8"			"Public_CrossChecked"	"FC(C(F)C(F)(F)C(F)(F)F)C(F)(F)F"	"FC(F)(F)C(F)C(F)C(F)(F)C(F)(F)F"	"?"	"InChI=1S/C5H2F10/c6-1(2(7)4(10,11)12)3(8,9)5(13,14)15/h1-2H"	"RIQRGMUSBYGDBL-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1434"	"13980-00-2"	"DTXSID50161170"	"1,3,5,7-Tetrazocine, octahydro-1-acetyl-3,5,7-trinitro-"	"EPA_DSSTox"	"CC(=O)N1CN(CN(CN(C1)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O"	"CC(=O)N1CN(CN(CN(C1)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C6H11N7O7/c1-6(14)7-2-8(11(15)16)4-10(13(19)20)5-9(3-7)12(17)18/h2-5H2,1H3"	"CJYDNDLQIIGSTH-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1435"	"1405-92-1"	"DTXSID3051709"	"Cedr-8-en-15-yl acetate"	"EPA_DSSTox"	"C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC=C3COC(C)=O"	"CC1(C)C2CC3(CC=C2COC(C)=O)C1CCC3C"	"?"	"InChI=1S/C17H26O2/c1-11-5-6-15-16(3,4)14-9-17(11,15)8-7-13(14)10-19-12(2)18/h7,11,14-15H,5-6,8-10H2,1-4H3"	"AICQDCHSUWFHCC-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1436"	"141517-21-7"	"DTXSID4032580"	"Trifloxystrobin"	"EPA_DSSTox"	"CON=C(C(=O)OC)C1=C(CON=C(C)C2=CC(=CC=C2)C(F)(F)F)C=CC=C1"	"CC(=NOCC1=CC=CC=C1C(=NOC)C(=O)OC)C1C=C(C=CC=1)C(F)(F)F"	"?"	"InChI=1S/C20H19F3N2O4/c1-13(14-8-6-9-16(11-14)20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3"	"ONCZDRURRATYFI-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1437"	"142-91-6"	"DTXSID9027104"	"Hexadecanoic acid, 1-methylethyl ester"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCC(=O)OC(C)C"	"CCCCCCCCCCCCCCCC(=O)OC(C)C"	"?"	"InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3"	"XUGNVMKQXJXZCD-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1438"	"143-18-0"	"DTXSID0025949"	"Potassium oleate"	"EPA_DSSTox"	"[K+].CCCCCCCC\C=C/CCCCCCCC([O-])=O"	"CCCCCCCCC=CCCCCCCCC(O)=O"	"[K+]"	"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)"	"ZQPPMHVWECSIRJ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1439"	"14437-41-3"	"DTXSID1065766"	"Benzamide, 2-(acetyloxy)-N-(4-chlorophenyl)-3,5-diiodo-"	"EPA_DSSTox"	"CC(=O)OC1=C(C=C(I)C=C1I)C(=O)NC1=CC=C(Cl)C=C1"	"CC(=O)OC1=C(C=C(I)C=C1I)C(=O)NC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C15H10ClI2NO3/c1-8(20)22-14-12(6-10(17)7-13(14)18)15(21)19-11-4-2-9(16)3-5-11/h2-7H,1H3,(H,19,21)"	"ICKMASVVMCGZLR-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1440"	"1450-14-2"	"DTXSID2061698"	"Disilane, hexamethyl-"	"EPA_DSSTox"	"C[Si](C)(C)[Si](C)(C)C"	"C[Si](C)(C)[Si](C)(C)C"	"?"	"InChI=1S/C6H18Si2/c1-7(2,3)8(4,5)6/h1-6H3"	"NEXSMEBSBIABKL-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1441"	"147-94-4"	"DTXSID3022877"	"Cytarabine"	"EPA_DSSTox"	"NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O"	"NC1C=CN(C2OC(CO)C(O)C2O)C(=O)N=1"	"?"	"InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)"	"UHDGCWIWMRVCDJ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1442"	"1492-18-8"	"DTXSID20872448"	"Folinic acid calcium salt"	"EPA_DSSTox"	"[Ca++].NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N2C=O)N1"	"NC1NC2NCC(CNC3C=CC(=CC=3)C(=O)NC(CCC(O)=O)C(O)=O)N(C=O)C=2C(=O)N=1"	"[Ca+2]"	"InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)"	"VVIAGPKUTFNRDU-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1443"	"150-13-0"	"DTXSID6024466"	"4-Aminobenzoic acid"	"EPA_DSSTox"	"NC1=CC=C(C=C1)C(O)=O"	"NC1=CC=C(C=C1)C(O)=O"	"?"	"InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)"	"ALYNCZNDIQEVRV-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1444"	"151-19-9"	"DTXSID40861834"	"3,6-Dimethyl-3-octanol"	"EPA_DSSTox"	"CCC(C)CCC(C)(O)CC"	"CC(CCC(C)(O)CC)CC"	"?"	"InChI=1S/C10H22O/c1-5-9(3)7-8-10(4,11)6-2/h9,11H,5-8H2,1-4H3"	"NPHCXUPGMINOPP-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1445"	"15318-45-3"	"DTXSID5021338"	"Thiamphenicol"	"EPA_DSSTox"	"CS(=O)(=O)C1=CC=C(C=C1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl"	"CS(=O)(=O)C1C=CC(=CC=1)C(O)C(CO)NC(=O)C(Cl)Cl"	"?"	"InChI=1S/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)"	"OTVAEFIXJLOWRX-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1446"	"156052-68-5"	"DTXSID9032581"	"Zoxamide"	"EPA_DSSTox"	"CCC(C)(NC(=O)C1=CC(Cl)=C(C)C(Cl)=C1)C(=O)CCl"	"CC1C(Cl)=CC(=CC=1Cl)C(=O)NC(C)(CC)C(=O)CCl"	"?"	"InChI=1S/C14H16Cl3NO2/c1-4-14(3,12(19)7-15)18-13(20)9-5-10(16)8(2)11(17)6-9/h5-6H,4,7H2,1-3H3,(H,18,20)"	"SOUGWDPPRBKJEX-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1447"	"157810-81-6"	"DTXSID1044221"	"Indinavir sulfate"	"EPA_DSSTox"	"OS(O)(=O)=O.CC(C)(C)NC(=O)[C@@H]1CN(CC2=CC=CN=C2)CCN1C[C@@H](O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=C1C=CC=C2"	"CC(C)(C)NC(=O)C1CN(CC2=CN=CC=C2)CCN1CC(O)CC(CC1C=CC=CC=1)C(=O)NC1C(O)CC2C=CC=CC=21"	"S(=O)(=O)(O)O"	"InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)"	"CBVCZFGXHXORBI-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1448"	"1622-61-3"	"DTXSID1022845"	"Clonazepam"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2Cl)C=C1"	"[O-][N+](=O)C1=CC2C(=NCC(=O)NC=2C=C1)C1=CC=CC=C1Cl"	"?"	"InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)"	"DGBIGWXXNGSACT-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1449"	"16816-67-4"	"DTXSID9046815"	"Pantethine"	"EPA_DSSTox"	"CC(C)(CO)C(O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO"	"CC(C)(CO)C(O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO"	"?"	"InChI=1S/C22H42N4O8S2/c1-21(2,13-27)17(31)19(33)25-7-5-15(29)23-9-11-35-36-12-10-24-16(30)6-8-26-20(34)18(32)22(3,4)14-28/h17-18,27-28,31-32H,5-14H2,1-4H3,(H,23,29)(H,24,30)(H,25,33)(H,26,34)"	"DJWYOLJPSHDSAL-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1450"	"16974-11-1"	"DTXSID6035524"	"(Z)-9-Dodecen-1-ol acetate"	"EPA_DSSTox"	"CC\C=C/CCCCCCCCOC(C)=O"	"CCC=CCCCCCCCCOC(C)=O"	"?"	"InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h4-5H,3,6-13H2,1-2H3"	"MFFQOUCMBNXSBK-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1451"	"17233-65-7"			"Public_CrossChecked"	"Cc1ccc2oc(C=Cc3nc4cc(C)ccc4o3)nc2c1"	"CC1C=C2N=C(C=CC3=NC4C=C(C)C=CC=4O3)OC2=CC=1"	"?"	"InChI=1S/C18H14N2O2/c1-11-3-5-15-13(9-11)19-17(21-15)7-8-18-20-14-10-12(2)4-6-16(14)22-18/h3-10H,1-2H3"	"VKRZNAWSCAUDRQ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1452"	"175013-18-0"	"DTXSID7032638"	"Pyraclostrobin"	"EPA_DSSTox"	"CON(C(=O)OC)C1=C(COC2=NN(C=C2)C2=CC=C(Cl)C=C2)C=CC=C1"	"CON(C(=O)OC)C1=CC=CC=C1COC1C=CN(N=1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3"	"HZRSNVGNWUDEFX-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1453"	"17597-95-4"	"DTXSID3066217"	"Hexane, 1-(2,2-dimethoxyethoxy)-"	"EPA_DSSTox"	"CCCCCCOCC(OC)OC"	"CCCCCCOCC(OC)OC"	"?"	"InChI=1S/C10H22O3/c1-4-5-6-7-8-13-9-10(11-2)12-3/h10H,4-9H2,1-3H3"	"LIVMHHPZBYEKCU-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1454"	"178928-70-6"	"DTXSID4034869"	"Prothioconazole"	"EPA_DSSTox"	"OC(CN1NC=NC1=S)(CC1=C(Cl)C=CC=C1)C1(Cl)CC1"	"OC(CC1C=CC=CC=1Cl)(CN1NC=NC1=S)C1(Cl)CC1"	"?"	"InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)"	"MNHVNIJQQRJYDH-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1455"	"181274-15-7"	"DTXSID9034864"	"Propoxycarbazone-sodium"	"EPA_DSSTox"	"[Na+].CCCOC1=NN(C(=O)[N-]S(=O)(=O)C2=C(C=CC=C2)C(=O)OC)C(=O)N1C"	"CN1C(=NN(C1=O)C(=O)NS(=O)(=O)C1C=CC=CC=1C(=O)OC)OCCC"	"[Na+]"	"InChI=1S/C15H18N4O7S/c1-4-9-26-14-16-19(15(22)18(14)2)13(21)17-27(23,24)11-8-6-5-7-10(11)12(20)25-3/h5-8H,4,9H2,1-3H3,(H,17,21)"	"JTHMVYBOQLDDIY-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1456"	"1824-52-8"			"Public_CrossChecked"	"CC(C1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(N)(=O)=O)c1ccccc1"	"CC(C1NS(=O)(=O)C2C=C(C(Cl)=CC=2N1)S(N)(=O)=O)C1=CC=CC=C1"	"?"	"InChI=1S/C15H16ClN3O4S2/c1-9(10-5-3-2-4-6-10)15-18-12-7-11(16)13(24(17,20)21)8-14(12)25(22,23)19-15/h2-9,15,18-19H,1H3,(H2,17,20,21)"	"PYVUMAGVCSQCBD-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1457"	"1852-17-1"	"DTXSID9051820"	"Tetrahydro-2-pyrimidinone"	"EPA_DSSTox"	"O=C1NCCCN1"	"O=C1NCCCN1"	"?"	"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)"	"NQPJDJVGBDHCAD-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1458"	"19009-56-4"	"DTXSID5021623"	"2-Methyldecanal"	"EPA_DSSTox"	"CCCCCCCCC(C)C=O"	"CCCCCCCCC(C)C=O"	"?"	"InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-11(2)10-12/h10-11H,3-9H2,1-2H3"	"LBICMZLDYMBIGA-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1459"	"1918-11-2"	"DTXSID1042441"	"Terbucarb"	"EPA_DSSTox"	"CNC(=O)OC1=C(C=C(C)C=C1C(C)(C)C)C(C)(C)C"	"CC1C=C(C(OC(=O)NC)=C(C=1)C(C)(C)C)C(C)(C)C"	"?"	"InChI=1S/C17H27NO2/c1-11-9-12(16(2,3)4)14(20-15(19)18-8)13(10-11)17(5,6)7/h9-10H,1-8H3,(H,18,19)"	"PNRAZZZISDRWMV-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1460"	"1961-77-9"	"DTXSID3022796"	"Chlormadinone"	"EPA_DSSTox"	"CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"	"CC(=O)C1(O)CCC2C3C=C(Cl)C4=CC(=O)CCC4(C)C3CCC12C"	"?"	"InChI=1S/C21H27ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,14-16,25H,4-9H2,1-3H3"	"VUHJZBBCZGVNDZ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1461"	"20231-01-0"	"DTXSID90174082"	"Ewp 815"	"EPA_DSSTox"	"CN1CCN(CC1)C(=S)SSC(=S)N1CCN(C)CC1"	"CN1CCN(CC1)C(=S)SSC(=S)N1CCN(C)CC1"	"?"	"InChI=1S/C12H22N4S4/c1-13-3-7-15(8-4-13)11(17)19-20-12(18)16-9-5-14(2)6-10-16/h3-10H2,1-2H3"	"OOBDBFPYJXJEHC-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1462"	"20424-00-4"			"Public_CrossChecked"	"CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(C)=O"	"CC(=O)C1(CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C)OC(=O)CC"	"?"	"InChI=1S/C24H32O5/c1-5-20(28)29-24(14(2)25)11-9-18-17-7-6-15-12-16(26)8-10-22(15,3)21(17)19(27)13-23(18,24)4/h8,10,12,17-19,21,27H,5-7,9,11,13H2,1-4H3"	"DRSFVGQMPYTGJY-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1463"	"20777-49-5"			"Public_CrossChecked"	"CC1CCC(CC1OC(C)=O)C(C)=C"	"CC1CCC(CC1OC(C)=O)C(C)=C"	"?"	"InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3"	"TUSIZTVSUSBSQI-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1464"	"2090-38-2"	"DTXSID20891573"	"1,2,4,5-Tetramethylcyclohexane"	"EPA_DSSTox"	"CC1CC(C)C(C)CC1C"	"CC1CC(C)C(C)CC1C"	"?"	"InChI=1S/C10H20/c1-7-5-9(3)10(4)6-8(7)2/h7-10H,5-6H2,1-4H3"	"VWWAILZUSKHANH-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1465"	"21302-09-0"	"DTXSID6051859"	"Didodecyl phosphonate"	"EPA_DSSTox"	"CCCCCCCCCCCCOP(=O)OCCCCCCCCCCCC"	"CCCCCCCCCCCCOP(=O)OCCCCCCCCCCCC"	"?"	"InChI=1S/C24H51O3P/c1-3-5-7-9-11-13-15-17-19-21-23-26-28(25)27-24-22-20-18-16-14-12-10-8-6-4-2/h28H,3-24H2,1-2H3"	"KQWYQZYVKPPMBX-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1466"	"21626-89-1"	"DTXSID3020469"	"Diftalone"	"EPA_DSSTox"	"O=C1N2CC3=C(C=CC=C3)C(=O)N2CC2=CC=CC=C12"	"O=C1C2C=CC=CC=2CN2C(=O)C3C=CC=CC=3CN21"	"?"	"InChI=1S/C16H12N2O2/c19-15-13-7-3-1-5-11(13)9-17-16(20)14-8-4-2-6-12(14)10-18(15)17/h1-8H,9-10H2"	"CXSJGNHRBWJXEA-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1467"	"219714-96-2"	"DTXSID0034803"	"Penoxsulam"	"EPA_DSSTox"	"COC1=CN=C(OC)N2N=C(NS(=O)(=O)C3=C(C=CC=C3OCC(F)F)C(F)(F)F)N=C12"	"COC1=NC=C(OC)C2=NC(NS(=O)(=O)C3C(=CC=CC=3OCC(F)F)C(F)(F)F)=NN21"	"?"	"InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)"	"SYJGKVOENHZYMQ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1468"	"221667-31-8"	"DTXSID9058022"	"Cyprosulfamide"	"EPA_DSSTox"	"COC1=CC=CC=C1C(=O)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NC1CC1"	"COC1=CC=CC=C1C(=O)NS(=O)(=O)C1C=CC(=CC=1)C(=O)NC1CC1"	"?"	"InChI=1S/C18H18N2O5S/c1-25-16-5-3-2-4-15(16)18(22)20-26(23,24)14-10-6-12(7-11-14)17(21)19-13-8-9-13/h2-7,10-11,13H,8-9H2,1H3,(H,19,21)(H,20,22)"	"OAWUUPVZMNKZRY-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1469"	"2259-96-3"	"DTXSID3022871"	"Cyclothiazide"	"EPA_DSSTox"	"NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C1CC2CC1C=C2"	"NS(=O)(=O)C1C=C2C(=CC=1Cl)NC(NS2(=O)=O)C1CC2CC1C=C2"	"?"	"InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)"	"BOCUKUHCLICSIY-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1470"	"23192-42-9"			"Public_CrossChecked"	"CCCCCCCCC=CCCCCCCOC(C)=O"	"CCCCCCCCC=CCCCCCCOC(C)=O"	"?"	"InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h10-11H,3-9,12-17H2,1-2H3"	"QVXFGVVYTKZLJN-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1471"	"23433-07-0"	"DTXSID60274149"	"1,3-Nonanediol"	"EPA_DSSTox"	"CCCCCCC(O)CCO"	"CCCCCCC(O)CCO"	"?"	"InChI=1S/C9H20O2/c1-2-3-4-5-6-9(11)7-8-10/h9-11H,2-8H2,1H3"	"CGNJFUJNEYIYRZ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1472"	"2349-07-7"	"DTXSID2047519"	"Hexyl isobutyrate"	"EPA_DSSTox"	"CCCCCCOC(=O)C(C)C"	"CCCCCCOC(=O)C(C)C"	"?"	"InChI=1S/C10H20O2/c1-4-5-6-7-8-12-10(11)9(2)3/h9H,4-8H2,1-3H3"	"CYHBDKTZDLSRMY-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1473"	"2375-03-3"	"DTXSID2023303"	"Methylprednisolone succinate"	"EPA_DSSTox"	"[Na+].C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC([O-])=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12"	"CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)COC(=O)CCC(O)=O)C2(C)C=CC(=O)C=C21"	"[Na+]"	"InChI=1S/C26H34O8/c1-14-10-16-17-7-9-26(33,20(29)13-34-22(32)5-4-21(30)31)25(17,3)12-19(28)23(16)24(2)8-6-15(27)11-18(14)24/h6,8,11,14,16-17,19,23,28,33H,4-5,7,9-10,12-13H2,1-3H3,(H,30,31)"	"IMBXEJJVJRTNOW-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1474"	"24237-00-1"	"DTXSID7051898"	"6-Butyl-3,6-dihydro-2,4-dimethyl-2H-pyran"	"EPA_DSSTox"	"CCCCC1OC(C)CC(C)=C1"	"CC1CC(C)=CC(CCCC)O1"	"?"	"InChI=1S/C11H20O/c1-4-5-6-11-8-9(2)7-10(3)12-11/h8,10-11H,4-7H2,1-3H3"	"OSMLMQQJZVENMX-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1475"	"24305-27-9"	"DTXSID0023533"	"Protirelin"	"EPA_DSSTox"	"NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1"	"NC(=O)C1CCCN1C(=O)C(CC1=CN=CN1)NC(=O)C1CCC(=O)N1"	"?"	"InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)"	"XNSAINXGIQZQOO-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1476"	"24437-60-3"			"Public_CrossChecked"	"ClCS(=O)(=O)c1ccc(Br)cc1"	"O=S(=O)(CCl)C1C=CC(Br)=CC=1"	"?"	"InChI=1S/C7H6BrClO2S/c8-6-1-3-7(4-2-6)12(10,11)5-9/h1-4H,5H2"	"AHXUVTKVCMOKIX-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1477"	"24817-51-4"	"DTXSID2047567"	"2-Phenylethyl 2-methylbutanoate"	"EPA_DSSTox"	"CCC(C)C(=O)OCCC1=CC=CC=C1"	"CCC(C)C(=O)OCCC1C=CC=CC=1"	"?"	"InChI=1S/C13H18O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3"	"KVKKTLBBYFABAZ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1478"	"2497-18-9"	"DTXSID40879237"	"2-Hexen-1-ol, acetate, (2E)-"	"EPA_DSSTox"	"CCC\C=C\COC(C)=O"	"CCCC=CCOC(C)=O"	"?"	"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3"	"HRHOWZHRCRZVCU-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1479"	"25122-57-0"	"DTXSID3046823"	"Clobetasone butyrate"	"EPA_DSSTox"	"CCCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@]12C)C(=O)CCl"	"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(=O)CC2(C)C1(OC(=O)CCC)C(=O)CCl"	"?"	"InChI=1S/C26H32ClFO5/c1-5-6-22(32)33-26(21(31)14-27)15(2)11-19-18-8-7-16-12-17(29)9-10-23(16,3)25(18,28)20(30)13-24(19,26)4/h9-10,12,15,18-19H,5-8,11,13-14H2,1-4H3"	"FBRAWBYQGRLCEK-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1480"	"25287-60-9"	"DTXSID40179926"	"Etofamide"	"EPA_DSSTox"	"CCOCCN(CC1=CC=C(OC2=CC=C(C=C2)[N+]([O-])=O)C=C1)C(=O)C(Cl)Cl"	"CCOCCN(CC1=CC=C(C=C1)OC1=CC=C(C=C1)[N+]([O-])=O)C(=O)C(Cl)Cl"	"?"	"InChI=1S/C19H20Cl2N2O5/c1-2-27-12-11-22(19(24)18(20)21)13-14-3-7-16(8-4-14)28-17-9-5-15(6-10-17)23(25)26/h3-10,18H,2,11-13H2,1H3"	"QTRALMGDQMIVFF-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1481"	"2550-02-9"	"DTXSID60862984"	"Triethoxypropylsilane"	"EPA_DSSTox"	"CCC[Si](OCC)(OCC)OCC"	"CCC[Si](OCC)(OCC)OCC"	"?"	"InChI=1S/C9H22O3Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-9H2,1-4H3"	"NBXZNTLFQLUFES-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1482"	"25655-41-8"	"DTXSID8035712"	"Betadine"	"EPA_DSSTox"	"II.C=CN1CCCC1=O"	"C=CN1CCCC1=O"	"II"	"InChI=1S/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2"	"WHNWPMSKXPGLAX-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1483"	"2605-78-9"	"DTXSID1042239"	"Octyldimethylamine oxide"	"EPA_DSSTox"	"CCCCCCCC[N+](C)(C)[O-]"	"CCCCCCCC[N+](C)(C)[O-]"	"?"	"InChI=1S/C10H23NO/c1-4-5-6-7-8-9-10-11(2,3)12/h4-10H2,1-3H3"	"RSVIRMFSJVHWJV-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1484"	"2624-17-1"	"DTXSID9043720"	"Sodium cyanurate"	"EPA_DSSTox"	"[Na+].O=C1NC(=O)[N-]C(=O)N1"	"O=C1NC(=O)NC(=O)N1"	"[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"		"4"	"5"	"FALSE"	"TRUE"
"1485"	"26309-95-5"	"DTXSID90180926"	"Pivampicillin hydrochloride"	"EPA_DSSTox"	"Cl.CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)[C@H](N)C1=CC=CC=C1)C2=O"	"CC(C)(C)C(=O)OCOC(=O)C1N2C(SC1(C)C)C(NC(=O)C(N)C1C=CC=CC=1)C2=O"	"Cl"	"InChI=1S/C22H29N3O6S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26)"	"ZEMIJUDPLILVNQ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1486"	"26651-96-7"	"DTXSID1029336"	"4,6,10-Dodecatrien-3-one, 7,11-dimethyl-"	"EPA_DSSTox"	"CCC(=O)\C=C\C=C(/C)CCC=C(C)C"	"CC(C)=CCCC(C)=CC=CC(=O)CC"	"?"	"InChI=1S/C14H22O/c1-5-14(15)11-7-10-13(4)9-6-8-12(2)3/h7-8,10-11H,5-6,9H2,1-4H3"	"SPHLZZZXIWUZNM-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1487"	"27025-41-8"	"DTXSID5048972"	"Oxiglutatione"	"EPA_DSSTox"	"N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O"	"NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O"	"?"	"InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)"	"YPZRWBKMTBYPTK-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1488"	"27519-02-4"	"DTXSID0032653"	"(Z)-9-Tricosene"	"EPA_DSSTox"	"CCCCCCCCCCCCC\C=C/CCCCCCCC"	"CCCCCCCCCCCCCC=CCCCCCCCC"	"?"	"InChI=1S/C23H46/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-23H2,1-2H3"	"IGOWHGRNPLFNDJ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1489"	"27816-23-5"	"DTXSID0067341"	"2-Propenoic acid, 2-cyano-, 2-methoxyethyl ester"	"EPA_DSSTox"	"COCCOC(=O)C(=C)C#N"	"COCCOC(=O)C(=C)C#N"	"?"	"InChI=1S/C7H9NO3/c1-6(5-8)7(9)11-4-3-10-2/h1,3-4H2,2H3"	"JYTXVMYBYRTJTI-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1490"	"28002-18-8"	"DTXSID2048618"	"Sulbenicillin disodium"	"EPA_DSSTox"	"[Na+].[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C1=CC=CC=C1)S([O-])(=O)=O)C([O-])=O"	"CC1(C)SC2C(NC(=O)C(C3C=CC=CC=3)S(O)(=O)=O)C(=O)N2C1C(O)=O"	"[Na+].[Na+]"	"InChI=1S/C16H18N2O7S2/c1-16(2)11(15(21)22)18-13(20)9(14(18)26-16)17-12(19)10(27(23,24)25)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,17,19)(H,21,22)(H,23,24,25)"	"JETQIUPBHQNHNZ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1491"	"2825-82-3"	"DTXSID2029244"	"Octahydro-exo-4,7-methano-1H-indene"	"EPA_DSSTox"	"C1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1"	"C1C2CCC1C1CCCC21"	"?"	"InChI=1S/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2"	"LPSXSORODABQKT-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1492"	"28797-61-7"	"DTXSID7023487"	"Pirenzepine"	"EPA_DSSTox"	"CN1CCN(CC(=O)N2C3=CC=CC=C3C(=O)NC3=C2N=CC=C3)CC1"	"CN1CCN(CC(=O)N2C3N=CC=CC=3NC(=O)C3=CC=CC=C23)CC1"	"?"	"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"		"4"	"5"	"FALSE"	"TRUE"
"1493"	"2906-80-1"	"DTXSID30183315"	"Piperidine, 1-(2-(1,4-benzodioxan-5-yloxy)ethyl)-, hydrochloride"	"EPA_DSSTox"	"Cl.C(CN1CCCCC1)OC1=CC=CC2=C1OCCO2"	"C(COC1C=CC=C2OCCOC=12)N1CCCCC1"	"Cl"	"InChI=1S/C15H21NO3/c1-2-7-16(8-3-1)9-10-17-13-5-4-6-14-15(13)19-12-11-18-14/h4-6H,1-3,7-12H2"	"POUHUGKSPSQFFU-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1494"	"294-62-2"	"DTXSID9021552"	"Cyclododecane"	"EPA_DSSTox"	"C1CCCCCCCCCCC1"	"C1CCCCCCCCCCC1"	"?"	"InChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2"	"DDTBPAQBQHZRDW-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1495"	"29761-21-5"			"Public_CrossChecked"	"CC(C)CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1"	"CC(C)CCCCCCCOP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1"	"?"	"InChI=1S/C22H31O4P/c1-20(2)14-8-4-3-5-13-19-24-27(23,25-21-15-9-6-10-16-21)26-22-17-11-7-12-18-22/h6-7,9-12,15-18,20H,3-5,8,13-14,19H2,1-2H3"	"RYUJRXVZSJCHDZ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1496"	"29878-91-9"	"DTXSID8067525"	"[1,1'-Binaphthalene]-8,8'-dicarboxylic acid"	"EPA_DSSTox"	"OC(=O)C1=C2C(C=CC=C2C2=CC=CC3=CC=CC(C(O)=O)=C23)=CC=C1"	"OC(=O)C1=CC=CC2=CC=CC(=C21)C1C=CC=C2C=CC=C(C2=1)C(O)=O"	"?"	"InChI=1S/C22H14O4/c23-21(24)17-11-3-7-13-5-1-9-15(19(13)17)16-10-2-6-14-8-4-12-18(20(14)16)22(25)26/h1-12H,(H,23,24)(H,25,26)"	"XGDAODQNSVFBGM-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1497"	"30125-47-4"	"DTXSID2067539"	"C.I. Pigment Yellow 138"	"EPA_DSSTox"	"ClC1=C(Cl)C(Cl)=C(Cl)C2=C1C(=O)C(C2=O)C1=CC=C2C=CC=C(N3C(=O)C4=C(C3=O)C(Cl)=C(Cl)C(Cl)=C4Cl)C2=N1"	"O=C1C2=C(C(Cl)=C(Cl)C(Cl)=C2Cl)C(=O)N1C1C=CC=C2C=CC(=NC2=1)C1C(=O)C2=C(C(Cl)=C(Cl)C(Cl)=C2Cl)C1=O"	"?"	"InChI=1S/C26H6Cl8N2O4/c27-14-10-11(15(28)19(32)18(14)31)24(38)9(23(10)37)7-5-4-6-2-1-3-8(22(6)35-7)36-25(39)12-13(26(36)40)17(30)21(34)20(33)16(12)29/h1-5,9H"	"ZEHOVWPIGREOPO-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1498"	"30468-49-6"			"Public_CrossChecked"	"[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc2c3nn(nc3ccc2c1)-c1ccc(C=Cc2ccc(cc2S([O-])(=O)=O)-n2cncn2)c(c1)S([O-])(=O)=O"	"OS(=O)(=O)C1=CC2C=CC3=NN(N=C3C=2C=C1)C1=CC(=C(C=CC2C=CC(=CC=2S(O)(=O)=O)N2C=NC=N2)C=C1)S(O)(=O)=O"	"[Na+].[Na+].[Na+]"	"InChI=1S/C26H18N6O9S3/c33-42(34,35)21-8-9-22-18(11-21)5-10-23-26(22)30-32(29-23)20-7-4-17(25(13-20)44(39,40)41)2-1-16-3-6-19(31-15-27-14-28-31)12-24(16)43(36,37)38/h1-15H,(H,33,34,35)(H,36,37,38)(H,39,40,41)"	"OXRWBSBXVOSNBO-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1499"	"3100-04-7"	"DTXSID2035643"	"1-Methylcyclopropene"	"EPA_DSSTox"	"CC1=CC1"	"CC1CC=1"	"?"	"InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3"	"SHDPRTQPPWIEJG-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1500"	"3147-75-9"	"DTXSID9027522"	"Octrizole"	"EPA_DSSTox"	"CC(C)(C)CC(C)(C)C1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1"	"CC(C)(C)CC(C)(C)C1=CC(=C(O)C=C1)N1N=C2C=CC=CC2=N1"	"?"	"InChI=1S/C20H25N3O/c1-19(2,3)13-20(4,5)14-10-11-18(24)17(12-14)23-21-15-8-6-7-9-16(15)22-23/h6-12,24H,13H2,1-5H3"	"IYAZLDLPUNDVAG-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1501"	"31778-10-6"	"DTXSID9067645"	"Benzoic acid, 2-[[3-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-hydroxy-1-naphthalenyl]azo]-, butyl ester"	"EPA_DSSTox"	"CCCCOC(=O)C1=C(C=CC=C1)N=NC1=C2C=CC=CC2=CC(C(=O)NC2=CC=C3NC(=O)NC3=C2)=C1O"	"CCCCOC(=O)C1C=CC=CC=1N=NC1=C(O)C(=CC2=CC=CC=C21)C(=O)NC1=CC2NC(=O)NC=2C=C1"	"?"	"InChI=1S/C29H25N5O5/c1-2-3-14-39-28(37)20-10-6-7-11-22(20)33-34-25-19-9-5-4-8-17(19)15-21(26(25)35)27(36)30-18-12-13-23-24(16-18)32-29(38)31-23/h4-13,15-16,35H,2-3,14H2,1H3,(H,30,36)(H2,31,32,38)"	"OFVRAFISISJRPV-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1502"	"32266-10-7"	"DTXSID6046688"	"Hexoprenaline sulfate"	"EPA_DSSTox"	"OS(O)(=O)=O.OC(CNCCCCCCNCC(O)C1=CC=C(O)C(O)=C1)C1=CC=C(O)C(O)=C1"	"OC1=CC=C(C=C1O)C(O)CNCCCCCCNCC(O)C1=CC(O)=C(O)C=C1"	"S(=O)(=O)(O)O"	"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"		"4"	"5"	"FALSE"	"TRUE"
"1503"	"32764-98-0"	"DTXSID4052009"	"6-(Pent-3-en-1-yl)tetrahydro-2H-pyran-2-one"	"EPA_DSSTox"	"CC=CCCC1CCCC(=O)O1"	"CC=CCCC1CCCC(=O)O1"	"?"	"InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h2-3,9H,4-8H2,1H3"	"NBCMACYORPIYNY-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1504"	"33021-02-2"	"DTXSID10186667"	"Isopropyl tert-butyl ether"	"EPA_DSSTox"	"CC(C)COC(C)(C)C"	"CC(C)COC(C)(C)C"	"?"	"InChI=1S/C8H18O/c1-7(2)6-9-8(3,4)5/h7H,6H2,1-5H3"	"UPOMCDPCTBJJDA-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1505"	"3351-05-1"	"DTXSID7044920"	"Acid Blue?113"	"EPA_DSSTox"	"[Na+].[Na+].[O-]S(=O)(=O)C1=CC(=CC=C1)N=NC1=CC=C(N=NC2=CC=C(NC3=CC=CC=C3)C3=C2C=CC=C3S([O-])(=O)=O)C2=C1C=CC=C2"	"OS(=O)(=O)C1C=C(C=CC=1)N=NC1=CC=C(N=NC2=CC=C(NC3C=CC=CC=3)C3C(=CC=CC2=3)S(O)(=O)=O)C2C=CC=CC=21"	"[Na+].[Na+]"	"InChI=1S/C32H23N5O6S2/c38-44(39,40)23-11-6-10-22(20-23)34-35-27-16-17-28(25-13-5-4-12-24(25)27)36-37-29-18-19-30(33-21-8-2-1-3-9-21)32-26(29)14-7-15-31(32)45(41,42)43/h1-20,33H,(H,38,39,40)(H,41,42,43)"	"DJRZPZBRKRAGBD-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1506"	"33817-20-8"	"DTXSID1045459"	"Pivampicillin"	"EPA_DSSTox"	"CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)[C@H](N)C1=CC=CC=C1)C2=O"	"CC(C)(C)C(=O)OCOC(=O)C1N2C(SC1(C)C)C(NC(=O)C(N)C1C=CC=CC=1)C2=O"	"?"	"InChI=1S/C22H29N3O6S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26)"	"ZEMIJUDPLILVNQ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1507"	"34258-79-2"	"DTXSID00187825"	"W7477"	"EPA_DSSTox"	"CN1C(C(=O)NC2=CC=CC=C2)=C(O)C2=CC=CC=C2S1(=O)=O"	"CN1C(=C(O)C2C=CC=CC=2S1(=O)=O)C(=O)NC1C=CC=CC=1"	"?"	"InChI=1S/C16H14N2O4S/c1-18-14(16(20)17-11-7-3-2-4-8-11)15(19)12-9-5-6-10-13(12)23(18,21)22/h2-10,19H,1H3,(H,17,20)"	"PGUHYTRMLNGOQQ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1508"	"3441-14-3"	"DTXSID90879787"	"Direct Red 23"	"EPA_DSSTox"	"[Na+].[Na+].CC(=O)NC1=CC=C(C=C1)\N=N\C1=C(C=C2C=C(NC(=O)NC3=CC4=CC(=C(\N=N\C5=CC=CC=C5)C(O)=C4C=C3)S([O-])(=O)=O)C=CC2=C1O)S([O-])(=O)=O"	"CC(=O)NC1C=CC(=CC=1)N=NC1C(=CC2C=C(C=CC=2C=1O)NC(=O)NC1=CC2C=C(C(N=NC3C=CC=CC=3)=C(O)C=2C=C1)S(O)(=O)=O)S(O)(=O)=O"	"[Na+].[Na+]"	"InChI=1S/C35H27N7O10S2/c1-19(43)36-22-7-9-24(10-8-22)40-42-32-30(54(50,51)52)18-21-16-26(12-14-28(21)34(32)45)38-35(46)37-25-11-13-27-20(15-25)17-29(53(47,48)49)31(33(27)44)41-39-23-5-3-2-4-6-23/h2-18,44-45H,1H3,(H,36,43)(H2,37,38,46)(H,47,48,49)(H,50,51,52)"	"ICIJDHUPWYQXGB-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1509"	"34687-46-2"	"DTXSID50865727"	"Cyclopentanone, 2-(2-hexen-1-yl)-"	"EPA_DSSTox"	"CCCC=CCC1CCCC1=O"	"CCCC=CCC1CCCC1=O"	"?"	"InChI=1S/C11H18O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h4-5,10H,2-3,6-9H2,1H3"	"XXQYRQXKTWEIFQ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1510"	"35607-66-0"	"DTXSID1022764"	"Cefoxitin"	"EPA_DSSTox"	"CO[C@]1(NC(=O)CC2=CC=CS2)[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O"	"COC1(NC(=O)CC2=CC=CS2)C2SCC(COC(N)=O)=C(C(O)=O)N2C1=O"	"?"	"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"		"4"	"5"	"FALSE"	"TRUE"
"1511"	"3577-01-3"	"DTXSID4022781"	"Cephaloglycin"	"EPA_DSSTox"	"CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C1=CC=CC=C1)C2=O)C(O)=O"	"CC(=O)OCC1CSC2C(NC(=O)C(N)C3C=CC=CC=3)C(=O)N2C=1C(O)=O"	"?"	"InChI=1S/C18H19N3O6S/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26)"	"FUBBGQLTSCSAON-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1512"	"36432-46-9"	"DTXSID40885651"	"Phosphonic acid, ditridecyl ester"	"EPA_DSSTox"	"CCCCCCCCCCCCCOP(=O)OCCCCCCCCCCCCC"	"CCCCCCCCCCCCCOP(=O)OCCCCCCCCCCCCC"	"?"	"InChI=1S/C26H55O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-30(27)29-26-24-22-20-18-16-14-12-10-8-6-4-2/h30H,3-26H2,1-2H3"	"BDZYUTQMWUWPLZ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1513"	"36735-22-5"	"DTXSID60190193"	"Quazepam"	"EPA_DSSTox"	"FC1=CC=CC=C1C1=NCC(=S)N(CC(F)(F)F)C2=C1C=C(Cl)C=C2"	"FC1C=CC=CC=1C1=NCC(=S)N(CC(F)(F)F)C2C=CC(Cl)=CC=21"	"?"	"InChI=1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2"	"IKMPWMZBZSAONZ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1514"	"37209-31-7"			"Public_CrossChecked"	"C[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]2OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]1O"	"CC1OC(OCC2OC(O)C(OS(O)(=O)=O)C(OS(O)(=O)=O)C2OS(O)(=O)=O)C(OS(O)(=O)=O)C(OS(O)(=O)=O)C1O"	"?"	"InChI=1S/C12H22O25S5/c1-3-5(13)7(34-39(18,19)20)10(37-42(27,28)29)12(31-3)30-2-4-6(33-38(15,16)17)8(35-40(21,22)23)9(11(14)32-4)36-41(24,25)26/h3-14H,2H2,1H3,(H,15,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)"	"MJBAKMXCLOFQBX-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1515"	"3740-92-9"	"DTXSID90190843"	"Fenclorim [ISO]"	"EPA_DSSTox"	"ClC1=CC(Cl)=NC(=N1)C1=CC=CC=C1"	"ClC1C=C(Cl)N=C(N=1)C1C=CC=CC=1"	"?"	"InChI=1S/C10H6Cl2N2/c11-8-6-9(12)14-10(13-8)7-4-2-1-3-5-7/h1-6H"	"NRFQZTCQAYEXEE-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1516"	"37514-30-0"	"DTXSID4068034"	"Cyclododecane, 1-methoxy-1-methyl-"	"EPA_DSSTox"	"COC1(C)CCCCCCCCCCC1"	"COC1(C)CCCCCCCCCCC1"	"?"	"InChI=1S/C14H28O/c1-14(15-2)12-10-8-6-4-3-5-7-9-11-13-14/h3-13H2,1-2H3"	"QACBYNLZEUNZSC-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1517"	"38462-04-3"			"Public_CrossChecked"	"CC(CCC=C(C)[C@@H]1CC(=O)C(C)(C)O1)=CCc1c(O)c(Cl)c(C)c(C=O)c1O"	"CC(CCC=C(C)C1CC(=O)C(C)(C)O1)=CCC1=C(O)C(Cl)=C(C)C(C=O)=C1O"	"?"	"InChI=1S/C23H29ClO5/c1-13(7-6-8-14(2)18-11-19(26)23(4,5)29-18)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,12,18,27-28H,6-7,10-11H2,1-5H3"	"VGYPZLGWVQQOST-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1518"	"3862-12-2"			"Public_CrossChecked"	"Cc1ccc(OP(=O)(Oc2ccc(C)cc2C)Oc2ccc(C)cc2C)c(C)c1"	"CC1=CC(C)=C(C=C1)OP(=O)(OC1C=CC(C)=CC=1C)OC1C=CC(C)=CC=1C"	"?"	"InChI=1S/C24H27O4P/c1-16-7-10-22(19(4)13-16)26-29(25,27-23-11-8-17(2)14-20(23)5)28-24-12-9-18(3)15-21(24)6/h7-15H,1-6H3"	"KOWVWXQNQNCRRS-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1519"	"3902-71-4"	"DTXSID3023716"	"Trioxsalen"	"EPA_DSSTox"	"CC1=CC2=CC3=C(OC(=O)C=C3C)C(C)=C2O1"	"CC1=CC2=CC3=C(OC(=O)C=C3C)C(C)=C2O1"	"?"	"InChI=1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3"	"FMHHVULEAZTJMA-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1520"	"39807-15-3"	"DTXSID8058085"	"Oxadiargyl"	"EPA_DSSTox"	"CC(C)(C)C1=NN(C(=O)O1)C1=CC(OCC#C)=C(Cl)C=C1Cl"	"CC(C)(C)C1=NN(C(=O)O1)C1C=C(OCC#C)C(Cl)=CC=1Cl"	"?"	"InChI=1S/C15H14Cl2N2O3/c1-5-6-21-12-8-11(9(16)7-10(12)17)19-14(20)22-13(18-19)15(2,3)4/h1,7-8H,6H2,2-4H3"	"DVOODWOZJVJKQR-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1521"	"40454-21-5"	"DTXSID90193470"	"N-guanylcysteine"	"EPA_DSSTox"	"NC(N)=N[C@@H](CS)C(O)=O"	"NC(N)=NC(CS)C(O)=O"	"?"	"InChI=1S/C4H9N3O2S/c5-4(6)7-2(1-10)3(8)9/h2,10H,1H2,(H,8,9)(H4,5,6,7)"	"XWRZKLKALVJDDS-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1522"	"4090-51-1"	"DTXSID4063290"	"1,3,2-Dioxaphosphorinane, 2,2'-oxybis[5,5-dimethyl-, 2,2'-disulfide"	"EPA_DSSTox"	"CC1(C)COP(=S)(OP2(=S)OCC(C)(C)CO2)OC1"	"CC1(C)COP(=S)(OP2(=S)OCC(C)(C)CO2)OC1"	"?"	"InChI=1S/C10H20O5P2S2/c1-9(2)5-11-16(18,12-6-9)15-17(19)13-7-10(3,4)8-14-17/h5-8H2,1-4H3"	"GAUFKBQSTGCCOC-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1523"	"41136-22-5"	"DTXSID1048594"	"Ceftezole sodium"	"EPA_DSSTox"	"[Na+].[O-]C(=O)C1=C(CSC2=NN=CS2)CS[C@@H]2[C@H](NC(=O)CN3C=NN=N3)C(=O)N12"	"OC(=O)C1=C(CSC2=NN=CS2)CSC2C(NC(=O)CN3C=NN=N3)C(=O)N12"	"[Na+]"	"InChI=1S/C13H12N8O4S3/c22-7(1-20-4-14-18-19-20)16-8-10(23)21-9(12(24)25)6(2-26-11(8)21)3-27-13-17-15-5-28-13/h4-5,8,11H,1-3H2,(H,16,22)(H,24,25)"	"DZMVCVMFETWNIU-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1524"	"41451-01-8"			"Public_CrossChecked"	"OCC(O)COc1ccc(CC(O)=O)cc1Cl"	"OC(=O)CC1=CC=C(OCC(O)CO)C(Cl)=C1"	"?"	"InChI=1S/C11H13ClO5/c12-9-3-7(4-11(15)16)1-2-10(9)17-6-8(14)5-13/h1-3,8,13-14H,4-6H2,(H,15,16)"	"FWBDSMMEVOJFAT-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1525"	"42125-46-2"	"DTXSID0052093"	"4-tert-Butylcyclohexyl chloroformate"	"EPA_DSSTox"	"CC(C)(C)C1CCC(CC1)OC(Cl)=O"	"CC(C)(C)C1CCC(CC1)OC(=O)Cl"	"?"	"InChI=1S/C11H19ClO2/c1-11(2,3)8-4-6-9(7-5-8)14-10(12)13/h8-9H,4-7H2,1-3H3"	"YXFSGPPQRCUVRL-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1526"	"427-51-0"	"DTXSID5020366"	"Cyproterone acetate"	"EPA_DSSTox"	"CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O"	"CC12CCC3C(C=C(Cl)C4=CC(=O)C5CC5C43C)C1CCC2(OC(C)=O)C(C)=O"	"?"	"InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3"	"UWFYSQMTEOIJJG-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1527"	"4334-73-0"			"Public_CrossChecked"	"COc1ccccc1C=NNC(N)=S"	"COC1=CC=CC=C1CN=NC(N)=S"	"?"	"InChI=1S/C9H11N3OS/c1-13-8-5-3-2-4-7(8)6-11-12-9(10)14/h2-5H,6H2,1H3,(H2,10,14)"	"GKSBAVIGFPRWJS-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1528"	"4430-16-4"	"DTXSID70889480"	"Toluidine Green"	"EPA_DSSTox"	"[Na+].[Na+].CC1=CC(=C(NC2=CC=C(NC3=CC=C(C)C=C3S([O-])(=O)=O)C3=C2C(=O)C2=C(C(O)=CC=C2O)C3=O)C=C1)S([O-])(=O)=O"	"CC1C=C(C(=CC=1)NC1C=CC(NC2C=CC(C)=CC=2S(O)(=O)=O)=C2C=1C(=O)C1C(C2=O)=C(O)C=CC=1O)S(O)(=O)=O"	"[Na+].[Na+]"	"InChI=1S/C28H22N2O10S2/c1-13-3-5-15(21(11-13)41(35,36)37)29-17-7-8-18(30-16-6-4-14(2)12-22(16)42(38,39)40)24-23(17)27(33)25-19(31)9-10-20(32)26(25)28(24)34/h3-12,29-32H,1-2H3,(H,35,36,37)(H,38,39,40)"	"RDSNLCVUSJLCGP-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1529"	"4654-26-6"	"DTXSID3021699"	"Dioctyl terephthalate"	"EPA_DSSTox"	"CCCCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OCCCCCCCC"	"CCCCCCCCOC(=O)C1C=CC(=CC=1)C(=O)OCCCCCCCC"	"?"	"InChI=1S/C24H38O4/c1-3-5-7-9-11-13-19-27-23(25)21-15-17-22(18-16-21)24(26)28-20-14-12-10-8-6-4-2/h15-18H,3-14,19-20H2,1-2H3"	"OEIWPNWSDYFMIL-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1530"	"4711-68-6"	"DTXSID5063570"	"2-Naphthalenecarboxamide, N-(4-ethoxyphenyl)-3-hydroxy-"	"EPA_DSSTox"	"CCOC1=CC=C(NC(=O)C2=C(O)C=C3C=CC=CC3=C2)C=C1"	"CCOC1C=CC(=CC=1)NC(=O)C1=CC2C=CC=CC=2C=C1O"	"?"	"InChI=1S/C19H17NO3/c1-2-23-16-9-7-15(8-10-16)20-19(22)17-11-13-5-3-4-6-14(13)12-18(17)21/h3-12,21H,2H2,1H3,(H,20,22)"	"FYJKEJZGNQVNLC-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1531"	"4826-62-4"	"DTXSID0052122"	"Dodec-2-en-1-al"	"EPA_DSSTox"	"CCCCCCCCCC=CC=O"	"CCCCCCCCCC=CC=O"	"?"	"InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-12H,2-9H2,1H3"	"SSNZFFBDIMUILS-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1532"	"497-18-7"	"DTXSID5038757"	"Carbonic dihydrazide"	"EPA_DSSTox"	"NNC(=O)NN"	"NNC(=O)NN"	"?"	"InChI=1S/CH6N4O/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6)"	"XEVRDFDBXJMZFG-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1533"	"500011-86-9"	"DTXSID30469045"	"3-Bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid"	"EPA_DSSTox"	"OC(=O)C1=CC(Br)=NN1C1=C(Cl)C=CC=N1"	"OC(=O)C1=CC(Br)=NN1C1N=CC=CC=1Cl"	"?"	"InChI=1S/C9H5BrClN3O2/c10-7-4-6(9(15)16)14(13-7)8-5(11)2-1-3-12-8/h1-4H,(H,15,16)"	"FORBXGROTPOMEH-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1534"	"50465-39-9"			"Public_CrossChecked"	"CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(OC(=O)C(C)(C)Oc3ccc(Cl)cc3)c(C)c(C)c2O1"	"CC(C)(OC1C=CC(Cl)=CC=1)C(=O)OC1C(C)=C2CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)OC2=C(C)C=1C"	"?"	"InChI=1S/C39H59ClO4/c1-26(2)14-11-15-27(3)16-12-17-28(4)18-13-24-39(10)25-23-34-31(7)35(29(5)30(6)36(34)44-39)42-37(41)38(8,9)43-33-21-19-32(40)20-22-33/h19-22,26-28H,11-18,23-25H2,1-10H3"	"VPRFDABTJNLKKR-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1535"	"50876-31-8"	"DTXSID70880639"	"cyclohexane, 1,1,3,5-tetramethyl-, trans-"	"EPA_DSSTox"	"C[C@@H]1C[C@@H](C)CC(C)(C)C1"	"CC1(C)CC(C)CC(C)C1"	"?"	"InChI=1S/C10H20/c1-8-5-9(2)7-10(3,4)6-8/h8-9H,5-7H2,1-4H3"	"WOJSMJIXPQLESQ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1536"	"51022-74-3"	"DTXSID3048782"	"Biliscopin"	"EPA_DSSTox"	"OC(=O)C1=C(I)C(NC(=O)COCCOCCOCC(=O)NC2=C(I)C=C(I)C(C(O)=O)=C2I)=C(I)C=C1I"	"OC(=O)C1C(I)=C(NC(=O)COCCOCCOCC(=O)NC2=C(I)C(=C(I)C=C2I)C(O)=O)C(I)=CC=1I"	"?"	"InChI=1S/C22H18I6N2O9/c23-9-5-11(25)19(17(27)15(9)21(33)34)29-13(31)7-38-3-1-37-2-4-39-8-14(32)30-20-12(26)6-10(24)16(18(20)28)22(35)36/h5-6H,1-4,7-8H2,(H,29,31)(H,30,32)(H,33,34)(H,35,36)"	"JXMIBUGMYLQZGO-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1537"	"513-86-0"	"DTXSID0024399"	"Acetoin"	"EPA_DSSTox"	"CC(O)C(C)=O"	"CC(O)C(C)=O"	"?"	"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3"	"ROWKJAVDOGWPAT-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1538"	"515-69-5"	"DTXSID5045964"	"Bisabolol"	"EPA_DSSTox"	"CC(C)=CCC[C@@](C)(O)[C@@H]1CCC(C)=CC1"	"CC(C)=CCCC(C)(O)C1CC=C(C)CC1"	"?"	"InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3"	"RGZSQWQPBWRIAQ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1539"	"52152-93-9"	"DTXSID6045585"	"Cefsulodin sodium"	"EPA_DSSTox"	"[Na+].NC(=O)C1=CC=[N+](CC2=C(N3[C@@H](SC2)[C@H](NC(=O)[C@H](C2=CC=CC=C2)S([O-])(=O)=O)C3=O)C([O-])=O)C=C1"	"NC(=O)C1C=C[N+](CC2CSC3C(NC(=O)C(C4C=CC=CC=4)S(O)(=O)=O)C(=O)N3C=2C(O)=O)=CC=1"	"[Na+]"	"InChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/p+1"	"SYLKGLMBLAAGSC-UHFFFAOYSA-O"		"4"	"5"	"FALSE"	"TRUE"
"1540"	"52364-73-5"	"DTXSID9068748"	"[1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)-"	"EPA_DSSTox"	"CCCCCCCCOC1=CC=C(C=C1)C1=CC=C(C=C1)C#N"	"CCCCCCCCOC1C=CC(=CC=1)C1C=CC(=CC=1)C#N"	"?"	"InChI=1S/C21H25NO/c1-2-3-4-5-6-7-16-23-21-14-12-20(13-15-21)19-10-8-18(17-22)9-11-19/h8-15H,2-7,16H2,1H3"	"GPGGNNIMKOVSAG-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1541"	"52709-87-2"	"DTXSID0068789"	"[1,1'-Biphenyl]-4-carbonitrile, 4'-butoxy-"	"EPA_DSSTox"	"CCCCOC1=CC=C(C=C1)C1=CC=C(C=C1)C#N"	"CCCCOC1C=CC(=CC=1)C1C=CC(=CC=1)C#N"	"?"	"InChI=1S/C17H17NO/c1-2-3-12-19-17-10-8-16(9-11-17)15-6-4-14(13-18)5-7-15/h4-11H,2-3,12H2,1H3"	"KPQVQWUNELODQE-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1542"	"529-96-4"	"DTXSID3046825"	"Pyridoxamine phosphate"	"EPA_DSSTox"	"CC1=C(O)C(CN)=C(COP(O)(O)=O)C=N1"	"CC1N=CC(COP(O)(O)=O)=C(CN)C=1O"	"?"	"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"		"4"	"5"	"FALSE"	"TRUE"
"1543"	"53-39-4"	"DTXSID8023399"	"Oxandrolone"	"EPA_DSSTox"	"C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)OC[C@]4(C)[C@H]3CC[C@]12C"	"CC12CCC3C(CCC4CC(=O)OCC43C)C1CCC2(C)O"	"?"	"InChI=1S/C19H30O3/c1-17-11-22-16(20)10-12(17)4-5-13-14(17)6-8-18(2)15(13)7-9-19(18,3)21/h12-15,21H,4-11H2,1-3H3"	"QSLJIVKCVHQPLV-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1544"	"53304-46-4"	"DTXSID00201454"	"beta-(3-Oxo-s-triazolo)-(4,3a)-pyridin-2-yl-propionic acid"	"EPA_DSSTox"	"OC(=O)CCN1N=C2C=CC=CN2C1=O"	"OC(=O)CCN1N=C2C=CC=CN2C1=O"	"?"	"InChI=1S/C9H9N3O3/c13-8(14)4-6-12-9(15)11-5-2-1-3-7(11)10-12/h1-3,5H,4,6H2,(H,13,14)"	"DXVGDKXFBVHCCE-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1545"	"53398-80-4"	"DTXSID30886051"	"2-Hexen-1-ol, 1-propanoate, (2E)-"	"EPA_DSSTox"	"CCC\C=C\COC(=O)CC"	"CCCC=CCOC(=O)CC"	"?"	"InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h6-7H,3-5,8H2,1-2H3"	"LPWKTEHEFDVAQS-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1546"	"538-65-8"	"DTXSID0060226"	"Butyl cinnamate"	"EPA_DSSTox"	"CCCCOC(=O)C=CC1=CC=CC=C1"	"CCCCOC(=O)C=CC1C=CC=CC=1"	"?"	"InChI=1S/C13H16O2/c1-2-3-11-15-13(14)10-9-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3"	"OHHIVLJVBNCSHV-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1547"	"53939-28-9"	"DTXSID1032303"	"(Z)-11-Hexadecenal"	"EPA_DSSTox"	"CCCC\C=C/CCCCCCCCCC=O"	"CCCCC=CCCCCCCCCCC=O"	"?"	"InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,16H,2-4,7-15H2,1H3"	"AMTITFMUKRZZEE-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1548"	"541-91-3"	"DTXSID8052192"	"3-Methylcyclopentadecan-1-one"	"EPA_DSSTox"	"CC1CCCCCCCCCCCCC(=O)C1"	"CC1CC(=O)CCCCCCCCCCCC1"	"?"	"InChI=1S/C16H30O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15H,2-14H2,1H3"	"ALHUZKCOMYUFRB-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1549"	"544-76-3"	"DTXSID0027195"	"Hexadecane"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCC"	"CCCCCCCCCCCCCCCC"	"?"	"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3"	"DCAYPVUWAIABOU-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1550"	"5459-04-1"	"DTXSID00203019"	"Ethylene glycol diacetoacetate"	"EPA_DSSTox"	"CC(=O)CC(=O)OCCOC(=O)CC(C)=O"	"CC(=O)CC(=O)OCCOC(=O)CC(C)=O"	"?"	"InChI=1S/C10H14O6/c1-7(11)5-9(13)15-3-4-16-10(14)6-8(2)12/h3-6H2,1-2H3"	"SJCUPJATWUWGAV-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1551"	"54857-86-2"	"DTXSID60203338"	"5-(Tetradecyloxy)-2-furancarboxylic acid"	"EPA_DSSTox"	"CCCCCCCCCCCCCCOC1=CC=C(O1)C(O)=O"	"CCCCCCCCCCCCCCOC1=CC=C(O1)C(O)=O"	"?"	"InChI=1S/C19H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18-15-14-17(23-18)19(20)21/h14-15H,2-13,16H2,1H3,(H,20,21)"	"CZRCFAOMWRAFIC-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1552"	"555-43-1"	"DTXSID8047503"	"Glyceryl tristearate"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC"	"CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC"	"?"	"InChI=1S/C57H110O6/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/h54H,4-53H2,1-3H3"	"DCXXMTOCNZCJGO-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1553"	"55719-85-2"	"DTXSID8047684"	"Phenethyl tiglate"	"EPA_DSSTox"	"C\C=C(/C)C(=O)OCCC1=CC=CC=C1"	"CC(=CC)C(=O)OCCC1C=CC=CC=1"	"?"	"InChI=1S/C13H16O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h3-8H,9-10H2,1-2H3"	"KVMWYGAYARXPOL-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1554"	"56-09-7"	"DTXSID3052222"	"2-Amino-6-hydroxy-1H-pyrimidin-4-one"	"EPA_DSSTox"	"NC1=NC(=O)CC(=O)N1"	"NC1NC(=O)CC(=O)N=1"	"?"	"InChI=1S/C4H5N3O2/c5-4-6-2(8)1-3(9)7-4/h1H2,(H3,5,6,7,8,9)"	"BTYNVOQLMBUUMS-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1555"	"5607-52-3"	"DTXSID80204620"	"(1,1'-Biphenyl)-3-carboxamide, 5-chloro-2-hydroxy-N-(2,4,5-trichlorophenyl)-"	"EPA_DSSTox"	"OC1=C(C=C(Cl)C=C1C(=O)NC1=CC(Cl)=C(Cl)C=C1Cl)C1=CC=CC=C1"	"OC1C(=CC(Cl)=CC=1C1C=CC=CC=1)C(=O)NC1C=C(Cl)C(Cl)=CC=1Cl"	"?"	"InChI=1S/C19H11Cl4NO2/c20-11-6-12(10-4-2-1-3-5-10)18(25)13(7-11)19(26)24-17-9-15(22)14(21)8-16(17)23/h1-9,25H,(H,24,26)"	"HULLJDIZSWIDNW-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1556"	"5657-19-2"	"DTXSID50205124"	"Furoylglycine"	"EPA_DSSTox"	"OC(=O)CNC(=O)C1=CC=CO1"	"OC(=O)CNC(=O)C1=CC=CO1"	"?"	"InChI=1S/C7H7NO4/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10)"	"KSPQDMRTZZYQLM-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1557"	"56924-18-6"			"Public_CrossChecked"	"CCCCCCCN(CCCCCCC)CC(O)c1cc2ccccc2c2cc(Br)ccc12"	"CCCCCCCN(CC(O)C1=CC2C=CC=CC=2C2=CC(Br)=CC=C12)CCCCCCC"	"?"	"InChI=1S/C30H42BrNO/c1-3-5-7-9-13-19-32(20-14-10-8-6-4-2)23-30(33)29-21-24-15-11-12-16-26(24)28-22-25(31)17-18-27(28)29/h11-12,15-18,21-22,30,33H,3-10,13-14,19-20,23H2,1-2H3"	"BWNCHMAKZSGSMP-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1558"	"57082-24-3"	"DTXSID2052233"	"(1R,2S,5R,8S)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-1-yl acetate"	"EPA_DSSTox"	"CC(=O)O[C@]12CCC[C@](C)(C1)CC[C@@H]1[C@@H]2CC1(C)C"	"CC1(C)CC2C1CCC1(C)CC2(CCC1)OC(C)=O"	"?"	"InChI=1S/C17H28O2/c1-12(18)19-17-8-5-7-16(4,11-17)9-6-13-14(17)10-15(13,2)3/h13-14H,5-11H2,1-4H3"	"SJDDHMSVZMBJPH-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1559"	"57781-14-3"	"DTXSID30206477"	"Halopredone acetate"	"EPA_DSSTox"	"CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(Br)=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)OC(C)=O"	"CC12CC(O)C3(F)C(CC(F)C4=CC(=O)C(Br)=CC34C)C1CCC2(OC(C)=O)C(=O)COC(C)=O"	"?"	"InChI=1S/C25H29BrF2O7/c1-12(29)34-11-21(33)24(35-13(2)30)6-5-14-15-7-18(27)16-8-19(31)17(26)9-23(16,4)25(15,28)20(32)10-22(14,24)3/h8-9,14-15,18,20,32H,5-7,10-11H2,1-4H3"	"YCISZOVUHXIOFY-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1560"	"58327-11-0"			"Public_CrossChecked"	"CC(Oc1ccc(Cl)cc1)C(=O)OC1CC(C)CC(C)(C)C1"	"CC1CC(CC(C)(C)C1)OC(=O)C(C)OC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C18H25ClO3/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"	"ZRQIJNNWPFPQCF-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1561"	"58327-16-5"			"Public_CrossChecked"	"CC1CC(CC(C)(C)C1)OC(=O)C(C)(C)Oc1ccccc1Cl"	"CC1CC(CC(C)(C)C1)OC(=O)C(C)(C)OC1C=CC=CC=1Cl"	"?"	"InChI=1S/C19H27ClO3/c1-13-10-14(12-18(2,3)11-13)22-17(21)19(4,5)23-16-9-7-6-8-15(16)20/h6-9,13-14H,10-12H2,1-5H3"	"NAGXRJDOCHFQFA-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1562"	"58327-23-4"			"Public_CrossChecked"	"CC1CC(CC(C)(C)C1)OC(=O)C(C)(C)Oc1cccc(c1)C(F)(F)F"	"CC1CC(CC(C)(C)C1)OC(=O)C(C)(C)OC1=CC(=CC=C1)C(F)(F)F"	"?"	"InChI=1S/C20H27F3O3/c1-13-9-16(12-18(2,3)11-13)25-17(24)19(4,5)26-15-8-6-7-14(10-15)20(21,22)23/h6-8,10,13,16H,9,11-12H2,1-5H3"	"ZQIKVVUTIPPKNE-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1563"	"58743-77-4"	"DTXSID2069286"	"[1,1'-Biphenyl]-4-carbonitrile, 4'-methoxy-"	"EPA_DSSTox"	"COC1=CC=C(C=C1)C1=CC=C(C=C1)C#N"	"COC1C=CC(=CC=1)C1C=CC(=CC=1)C#N"	"?"	"InChI=1S/C14H11NO/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12/h2-9H,1H3"	"RINYLKSNGRLNCU-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1564"	"59557-05-0"			"Public_CrossChecked"	"CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)CC(C)=O"	"CC(=O)CC(=O)OC1CC(C)CCC1C(C)C"	"?"	"InChI=1S/C14H24O3/c1-9(2)12-6-5-10(3)7-13(12)17-14(16)8-11(4)15/h9-10,12-13H,5-8H2,1-4H3"	"QSVQIPXQOCAWHP-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1565"	"59719-67-4"	"DTXSID8044961"	"Bis{2-[2-(propan-2-yl)-1,3-oxazolidin-3-yl]ethyl} hexane-1,6-diylbiscarbamate"	"EPA_DSSTox"	"CC(C)C1OCCN1CCOC(=O)NCCCCCCNC(=O)OCCN1CCOC1C(C)C"	"CC(C)C1OCCN1CCOC(=O)NCCCCCCNC(=O)OCCN1CCOC1C(C)C"	"?"	"InChI=1S/C24H46N4O6/c1-19(2)21-27(11-15-31-21)13-17-33-23(29)25-9-7-5-6-8-10-26-24(30)34-18-14-28-12-16-32-22(28)20(3)4/h19-22H,5-18H2,1-4H3,(H,25,29)(H,26,30)"	"KQYKAMMEDGWORJ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1566"	"59943-31-6"	"DTXSID30208653"	"DU 717"	"EPA_DSSTox"	"CN1CCN(CC1)C1=NS(=O)(=O)C2=C(N1)C=CC(Cl)=C2"	"CN1CCN(CC1)C1NC2C=CC(Cl)=CC=2S(=O)(=O)N=1"	"?"	"InChI=1S/C12H15ClN4O2S/c1-16-4-6-17(7-5-16)12-14-10-3-2-9(13)8-11(10)20(18,19)15-12/h2-3,8H,4-7H2,1H3,(H,14,15)"	"JPZVJONKWYICFB-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1567"	"60397-73-1"			"Public_CrossChecked"	"COCCOc1nc(Nc2ccc(C=Cc3ccc(Nc4nc(OCCOC)nc(n4)N(C)CCS(O)(=O)=O)cc3S(O)(=O)=O)c(c2)S(O)(=O)=O)nc(n1)N(C)CCS(O)(=O)=O"	"CN(CCS(O)(=O)=O)C1=NC(=NC(NC2=CC(=C(C=C2)C=CC2C=CC(=CC=2S(O)(=O)=O)NC2=NC(=NC(=N2)N(C)CCS(O)(=O)=O)OCCOC)S(O)(=O)=O)=N1)OCCOC"	"?"	"InChI=1S/C32H42N10O16S4/c1-41(11-17-59(43,44)45)29-35-27(37-31(39-29)57-15-13-55-3)33-23-9-7-21(25(19-23)61(49,50)51)5-6-22-8-10-24(20-26(22)62(52,53)54)34-28-36-30(42(2)12-18-60(46,47)48)40-32(38-28)58-16-14-56-4/h5-10,19-20H,11-18H2,1-4H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,33,35,37,39)(H,34,36,38,40)"	"CGYZCRWUXPGWAH-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1568"	"60763-42-0"	"DTXSID00866825"	"3-Octanol, 3,6-dimethyl-, 3-acetate"	"EPA_DSSTox"	"CCC(C)CCC(C)(CC)OC(C)=O"	"CC(CCC(C)(CC)OC(C)=O)CC"	"?"	"InChI=1S/C12H24O2/c1-6-10(3)8-9-12(5,7-2)14-11(4)13/h10H,6-9H2,1-5H3"	"JFKHPWLOPZASHC-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1569"	"61-56-3"	"DTXSID4023626"	"Sulthiame"	"EPA_DSSTox"	"NS(=O)(=O)C1=CC=C(C=C1)N1CCCCS1(=O)=O"	"NS(=O)(=O)C1C=CC(=CC=1)N1CCCCS1(=O)=O"	"?"	"InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)"	"HMHVCUVYZFYAJI-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1570"	"61276-17-3"			"Public_CrossChecked"	"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)C=Cc2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O"	"CC1OC(OC2C(OC(=O)C=CC3=CC(O)=C(O)C=C3)C(CO)OC(OCCC3C=CC(O)=C(O)C=3)C2O)C(O)C(O)C1O"	"?"	"InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3"	"FBSKJMQYURKNSU-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1571"	"619-01-2"	"DTXSID60862303"	"Cyclohexanol, 2-methyl-5-(1-methylethenyl)-"	"EPA_DSSTox"	"CC1CCC(CC1O)C(C)=C"	"CC1CCC(CC1O)C(C)=C"	"?"	"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3"	"KRCZYMFUWVJCLI-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1572"	"623-26-7"	"DTXSID1060768"	"1,4-Benzenedicarbonitrile"	"EPA_DSSTox"	"N#CC1=CC=C(C=C1)C#N"	"N#CC1C=CC(=CC=1)C#N"	"?"	"InChI=1S/C8H4N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H"	"BHXFKXOIODIUJO-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1573"	"624-13-5"	"DTXSID9060782"	"Propyl octanoate"	"EPA_DSSTox"	"CCCCCCCC(=O)OCCC"	"CCCCCCCC(=O)OCCC"	"?"	"InChI=1S/C11H22O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h3-10H2,1-2H3"	"IDHBLVYDNJDWNO-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1574"	"6259-76-3"	"DTXSID4038924"	"Hexyl salicylate"	"EPA_DSSTox"	"CCCCCCOC1=C(C=CC=C1)C(O)=O"	"CCCCCCOC1C=CC=CC=1C(O)=O"	"?"	"InChI=1S/C13H18O3/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,(H,14,15)"	"BVLVGYXYGXOSOG-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1575"	"62781-23-1"	"DTXSID50211846"	"2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinyl)propyl)-"	"EPA_DSSTox"	"O=C1NC2=CC=CC=C2N1CCCN1CCC(CC1)N1C(=O)NC2=CC=CC=C12"	"O=C1NC2=CC=CC=C2N1CCCN1CCC(CC1)N1C2=CC=CC=C2NC1=O"	"?"	"InChI=1S/C22H25N5O2/c28-21-23-17-6-1-3-8-19(17)26(21)13-5-12-25-14-10-16(11-15-25)27-20-9-4-2-7-18(20)24-22(27)29/h1-4,6-9,16H,5,10-15H2,(H,23,28)(H,24,29)"	"OBHDXMCUKJATHF-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1576"	"629-62-9"	"DTXSID6027268"	"Pentadecane"	"EPA_DSSTox"	"CCCCCCCCCCCCCCC"	"CCCCCCCCCCCCCCC"	"?"	"InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3"	"YCOZIPAWZNQLMR-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1577"	"632-79-1"	"DTXSID6026084"	"Tetrabromophthalic anhydride"	"EPA_DSSTox"	"BrC1=C2C(=O)OC(=O)C2=C(Br)C(Br)=C1Br"	"O=C1OC(=O)C2=C1C(Br)=C(Br)C(Br)=C2Br"	"?"	"InChI=1S/C8Br4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11"	"QHWKHLYUUZGSCW-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1578"	"636-30-6"	"DTXSID5044152"	"2,4,5-Trichloroaniline"	"EPA_DSSTox"	"NC1=CC(Cl)=C(Cl)C=C1Cl"	"NC1=CC(Cl)=C(Cl)C=C1Cl"	"?"	"InChI=1S/C6H4Cl3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2"	"GUMCAKKKNKYFEB-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1579"	"6381-77-7"	"DTXSID5020570"	"Sodium erythorbate (1:1)"	"EPA_DSSTox"	"[Na+].OC[C@@H](O)[C@H]1OC(=O)C(O)=C1[O-]"	"OC(CO)C1OC(=O)C(O)=C1O"	"[Na+]"	"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2"	"CIWBSHSKHKDKBQ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1580"	"64098-32-4"	"DTXSID10214292"	"Zapizolam"	"EPA_DSSTox"	"ClC1=NC2=C(C=C1)N1C=NN=C1CN=C2C1=CC=CC=C1Cl"	"ClC1C=CC2=C(N=1)C(=NCC1=NN=CN21)C1=CC=CC=C1Cl"	"?"	"InChI=1S/C15H9Cl2N5/c16-10-4-2-1-3-9(10)14-15-11(5-6-12(17)20-15)22-8-19-21-13(22)7-18-14/h1-6,8H,7H2"	"FOWABKOXWTZAKY-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1581"	"64221-86-9"	"DTXSID2023143"	"Imipenem"	"EPA_DSSTox"	"[H][C@]12CC(SCCNC=N)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O"	"[H]/N=C/NCCSC1CC2C(C(C)O)C(=O)N2C=1C(O)=O"	"?"	"InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)"	"ZSKVGTPCRGIANV-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1582"	"64532-96-3"	"DTXSID8074075"	"Diphenyl p-hexylphenyl phosphate"	"EPA_DSSTox"	"CCCCCCC1=CC=C(OP(=O)(OC2=CC=CC=C2)OC2=CC=CC=C2)C=C1"	"CCCCCCC1C=CC(=CC=1)OP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1"	"?"	"InChI=1S/C24H27O4P/c1-2-3-4-7-12-21-17-19-24(20-18-21)28-29(25,26-22-13-8-5-9-14-22)27-23-15-10-6-11-16-23/h5-6,8-11,13-20H,2-4,7,12H2,1H3"	"SHEFBWFSFKJWBK-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1583"	"64953-12-4"	"DTXSID0045595"	"Moxalactam disodium"	"EPA_DSSTox"	"[Na+].[Na+].CO[C@]1(NC(=O)C(C([O-])=O)C2=CC=C(O)C=C2)[C@H]2OCC(CSC3=NN=NN3C)=C(N2C1=O)C([O-])=O"	"CN1N=NN=C1SCC1COC2N(C=1C(O)=O)C(=O)C2(NC(=O)C(C1C=CC(O)=CC=1)C(O)=O)OC"	"[Na+].[Na+]"	"InChI=1S/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)"	"JWCSIUVGFCSJCK-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1584"	"6556-11-2"	"DTXSID2023147"	"Inositol niacinate"	"EPA_DSSTox"	"O=C(O[C@H]1[C@H](OC(=O)C2=CC=CN=C2)[C@@H](OC(=O)C2=CC=CN=C2)[C@H](OC(=O)C2=CC=CN=C2)[C@H](OC(=O)C2=CC=CN=C2)[C@@H]1OC(=O)C1=CC=CN=C1)C1=CC=CN=C1"	"O=C(OC1C(OC(=O)C2C=NC=CC=2)C(OC(=O)C2C=NC=CC=2)C(OC(=O)C2C=NC=CC=2)C(OC(=O)C2C=NC=CC=2)C1OC(=O)C1C=NC=CC=1)C1C=NC=CC=1"	"?"	"InChI=1S/C42H30N6O12/c49-37(25-7-1-13-43-19-25)55-31-32(56-38(50)26-8-2-14-44-20-26)34(58-40(52)28-10-4-16-46-22-28)36(60-42(54)30-12-6-18-48-24-30)35(59-41(53)29-11-5-17-47-23-29)33(31)57-39(51)27-9-3-15-45-21-27/h1-24,31-36H"	"MFZCIDXOLLEMOO-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1585"	"66309-69-1"	"DTXSID1045538"	"Cefotiam hydrochloride"	"EPA_DSSTox"	"Cl.CN(C)CCN1N=NN=C1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)CC1=CSC(N)=N1)C2=O)C(O)=O"	"CN(C)CCN1N=NN=C1SCC1CSC2C(NC(=O)CC3=CSC(N)=N3)C(=O)N2C=1C(O)=O"	"Cl"	"InChI=1S/C18H23N9O4S3/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31)"	"QYQDKDWGWDOFFU-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1586"	"66408-78-4"	"DTXSID4070459"	"1,3-Dioxolane, 2-(2,6-dimethyl-1,5-heptadienyl)-"	"EPA_DSSTox"	"CC(C)=CCCC(C)=CC1OCCO1"	"CC(C)=CCCC(C)=CC1OCCO1"	"?"	"InChI=1S/C12H20O2/c1-10(2)5-4-6-11(3)9-12-13-7-8-14-12/h5,9,12H,4,6-8H2,1-3H3"	"KSDZVTNRVWBTFN-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1587"	"66505-64-4"	"DTXSID40216709"	"Furo(2,3-d)pyrimidin-4-amine, 5-methyl-2-(2-propenylthio)-"	"EPA_DSSTox"	"CC1=COC2=NC(SCC=C)=NC(N)=C12"	"CC1=COC2=NC(=NC(N)=C21)SCC=C"	"?"	"InChI=1S/C10H11N3OS/c1-3-4-15-10-12-8(11)7-6(2)5-14-9(7)13-10/h3,5H,1,4H2,2H3,(H2,11,12,13)"	"CNZPBJWFPMOQRM-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1588"	"6696-47-5"			"Public_CrossChecked"	"Cl.CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O"	"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"	"Cl"	"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"		"4"	"5"	"FALSE"	"TRUE"
"1589"	"67124-09-8"	"DTXSID2028303"	"2-Propanol, 1-(tert-dodecylthio)-"	"EPA_DSSTox"	"CC(O)CSCCCCCCCCC(C)(C)C"	"CC(O)CSCCCCCCCCC(C)(C)C"	"?"	"InChI=1S/C15H32OS/c1-14(16)13-17-12-10-8-6-5-7-9-11-15(2,3)4/h14,16H,5-13H2,1-4H3"	"XROXSXGRRMHJFJ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1590"	"67785-74-4"	"DTXSID4070584"	"1-Undecene, 11,11-bis[(3,7-dimethyl-2,6-octadienyl)oxy]-"	"EPA_DSSTox"	"CC(C)=CCCC(C)=CCOC(CCCCCCCCC=C)OCC=C(C)CCC=C(C)C"	"CC(C)=CCCC(C)=CCOC(CCCCCCCCC=C)OCC=C(C)CCC=C(C)C"	"?"	"InChI=1S/C31H54O2/c1-8-9-10-11-12-13-14-15-22-31(32-25-23-29(6)20-16-18-27(2)3)33-26-24-30(7)21-17-19-28(4)5/h8,18-19,23-24,31H,1,9-17,20-22,25-26H2,2-7H3"	"QBQQCPSBCXSFTA-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1591"	"67874-81-1"	"DTXSID90886996"	"1H-3a,7-Methanoazulene, octahydro-6-methoxy-3,6,8,8-tetramethyl-, (3R,3aS,6R,7R,8aS)-"	"EPA_DSSTox"	"CO[C@]1(C)CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C"	"CC1(C)C2CC3(CCC2(C)OC)C1CCC3C"	"?"	"InChI=1S/C16H28O/c1-11-6-7-12-14(2,3)13-10-16(11,12)9-8-15(13,4)17-5/h11-13H,6-10H2,1-5H3"	"HRGPYCVTDOECMG-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1592"	"6809-52-5"	"DTXSID6048620"	"Teprenone"	"EPA_DSSTox"	"CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(C)=CCCC(C)=O"	"CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=O"	"?"	"InChI=1S/C23H38O/c1-19(2)11-7-12-20(3)13-8-14-21(4)15-9-16-22(5)17-10-18-23(6)24/h11,13,15,17H,7-10,12,14,16,18H2,1-6H3"	"HUCXKZBETONXFO-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1593"	"68189-23-1"	"DTXSID9052399"	"4-[(Diphenylhydrazinylidene)methyl]-N,N-diethylaniline"	"EPA_DSSTox"	"CCN(CC)C1=CC=C(C=NN(C2=CC=CC=C2)C2=CC=CC=C2)C=C1"	"CCN(CC)C1C=CC(C=NN(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1"	"?"	"InChI=1S/C23H25N3/c1-3-25(4-2)21-17-15-20(16-18-21)19-24-26(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-19H,3-4H2,1-2H3"	"YGBCLRRWZQSURU-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1594"	"68278-23-9"			"Public_CrossChecked"	"O.Cl.NCCCC(N)(C(F)F)C(O)=O"	"NCCCC(N)(C(F)F)C(O)=O"	"O.Cl"	"InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)"	"VLCYCQAOQCDTCN-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1595"	"68442-68-2"	"DTXSID8029444"	"Styrenated diphenylamine"	"EPA_DSSTox"	"CC(C1=CC=CC=C1)C1=CC=C(NC2=CC=C(C=C2)C(C)C2=CC=CC=C2)C=C1"	"CC(C1C=CC(=CC=1)NC1C=CC(=CC=1)C(C)C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C28H27N/c1-21(23-9-5-3-6-10-23)25-13-17-27(18-14-25)29-28-19-15-26(16-20-28)22(2)24-11-7-4-8-12-24/h3-22,29H,1-2H3"	"BRWSDEFCJGIRLV-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1596"	"68912-13-0"	"DTXSID4052429"	"3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indenyl propionate"	"EPA_DSSTox"	"CCC(=O)OC1C=CC2C3CCC(C3)C12"	"CCC(=O)OC1C=CC2C1C1CC2CC1"	"?"	"InChI=1S/C13H18O2/c1-2-12(14)15-11-6-5-10-8-3-4-9(7-8)13(10)11/h5-6,8-11,13H,2-4,7H2,1H3"	"BALAUIYKESNHDW-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1597"	"6909-55-3"	"DTXSID90219129"	"Benzoic acid, 4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-, methyl ester"	"EPA_DSSTox"	"COC(=O)C1=CC=C(C=C1)N1CCC(=N1)C1=CC=C(Cl)C=C1"	"COC(=O)C1C=CC(=CC=1)N1CCC(=N1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C17H15ClN2O2/c1-22-17(21)13-4-8-15(9-5-13)20-11-10-16(19-20)12-2-6-14(18)7-3-12/h2-9H,10-11H2,1H3"	"BZHFCYQAVWSERR-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1598"	"692-86-4"	"DTXSID4044828"	"Ethyl undec-10-enoate"	"EPA_DSSTox"	"CCOC(=O)CCCCCCCCC=C"	"CCOC(=O)CCCCCCCCC=C"	"?"	"InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3H,1,4-12H2,2H3"	"FXNFFCMITPHEIT-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1599"	"69712-56-7"	"DTXSID1022762"	"Cefotetan"	"EPA_DSSTox"	"CO[C@]1(NC(=O)C2SC(S2)=C(C(N)=O)C(O)=O)[C@H]2SCC(CSC3=NN=NN3C)=C(N2C1=O)C(O)=O"	"CN1N=NN=C1SCC1CSC2N(C=1C(O)=O)C(=O)C2(NC(=O)C1SC(S1)=C(C(N)=O)C(O)=O)OC"	"?"	"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"		"4"	"5"	"FALSE"	"TRUE"
"1600"	"701-54-2"			"Public_CrossChecked"	"NCC1CCC(CC1)C(O)=O"	"NCC1CCC(CC1)C(O)=O"	"?"	"InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)"	"GYDJEQRTZSCIOI-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1601"	"70356-03-5"			"Public_CrossChecked"	"O.N[C@@H](C(=O)N[C@H]1[C@H]2SCC(Cl)=C(N2C1=O)C(O)=O)c1ccccc1"	"NC(C1C=CC=CC=1)C(=O)NC1C2SCC(Cl)=C(C(O)=O)N2C1=O"	"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"		"4"	"5"	"FALSE"	"TRUE"
"1602"	"708-06-5"	"DTXSID9061041"	"1-Naphthalenecarboxaldehyde, 2-hydroxy-"	"EPA_DSSTox"	"OC1=CC=C2C=CC=CC2=C1C=O"	"OC1=CC=C2C=CC=CC2=C1C=O"	"?"	"InChI=1S/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13H"	"NTCCNERMXRIPTR-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1603"	"71-81-8"	"DTXSID30221221"	"Isopropamide iodide"	"EPA_DSSTox"	"[I-].CC(C)[N+](C)(CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1)C(C)C"	"C[N+](CCC(C(N)=O)(C1C=CC=CC=1)C1C=CC=CC=1)(C(C)C)C(C)C"	"[I-]"	"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"		"4"	"5"	"FALSE"	"TRUE"
"1604"	"717-74-8"	"DTXSID4041232"	"1,3,5-Triisopropylbenzene"	"EPA_DSSTox"	"CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C"	"CC(C)C1C=C(C=C(C=1)C(C)C)C(C)C"	"?"	"InChI=1S/C15H24/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h7-12H,1-6H3"	"VUMCUSHVMYIRMB-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1605"	"72102-84-2"	"DTXSID6072502"	"2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo]-"	"EPA_DSSTox"	"CC1=C(C=C2NC(=O)NC2=C1)N=NC1C(=O)NC(=O)NC1=O"	"CC1=CC2NC(=O)NC=2C=C1N=NC1C(=O)NC(=O)NC1=O"	"?"	"InChI=1S/C12H10N6O4/c1-4-2-6-7(14-11(21)13-6)3-5(4)17-18-8-9(19)15-12(22)16-10(8)20/h2-3,8H,1H3,(H2,13,14,21)(H2,15,16,19,20,22)"	"RITYHZCLJGBCAJ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1606"	"72542-56-4"			"Public_CrossChecked"	"CSC(C)=NOC(=O)N(C)SN(C(C)(C)C)P1(=S)OCC(C)(C)CO1"	"CC(C)(C)N(SN(C)C(=O)ON=C(C)SC)P1(=S)OCC(C)(C)CO1"	"?"	"InChI=1S/C14H28N3O4PS3/c1-11(24-8)15-21-12(18)16(7)25-17(13(2,3)4)22(23)19-9-14(5,6)10-20-22/h9-10H2,1-8H3"	"ATEBGFOYQXZUEB-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1607"	"72571-82-5"	"DTXSID20222883"	"Pipemidic acid trihydrate"	"EPA_DSSTox"	"O.O.O.CCN1C=C(C(O)=O)C(=O)C2=CN=C(N=C12)N1CCNCC1"	"CCN1C=C(C(O)=O)C(=O)C2C=NC(=NC1=2)N1CCNCC1"	"O.O.O"	"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"		"4"	"5"	"FALSE"	"TRUE"
"1608"	"7289-52-3"	"DTXSID6064616"	"Decane, 1-methoxy-"	"EPA_DSSTox"	"CCCCCCCCCCOC"	"CCCCCCCCCCOC"	"?"	"InChI=1S/C11H24O/c1-3-4-5-6-7-8-9-10-11-12-2/h3-11H2,1-2H3"	"JPEWDCTZJFUITH-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1609"	"73250-68-7"	"DTXSID7058173"	"Mefenacet"	"EPA_DSSTox"	"CN(C(=O)COC1=NC2=CC=CC=C2S1)C1=CC=CC=C1"	"CN(C(=O)COC1=NC2=CC=CC=C2S1)C1C=CC=CC=1"	"?"	"InChI=1S/C16H14N2O2S/c1-18(12-7-3-2-4-8-12)15(19)11-20-16-17-13-9-5-6-10-14(13)21-16/h2-10H,11H2,1H3"	"XIGAUIHYSDTJHW-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1610"	"737-31-5"	"DTXSID7022912"	"Diatrizoate sodium"	"EPA_DSSTox"	"[Na+].CC(=O)NC1=C(I)C(C([O-])=O)=C(I)C(NC(C)=O)=C1I"	"CC(=O)NC1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I"	"[Na+]"	"InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)"	"YVPYQUNUQOZFHG-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1611"	"74011-58-8"	"DTXSID5022984"	"Enoxacin"	"EPA_DSSTox"	"CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(N=C12)N1CCNCC1"	"CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(N=C12)N1CCNCC1"	"?"	"InChI=1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)"	"IDYZIJYBMGIQMJ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1612"	"74223-64-6"	"DTXSID6023864"	"Metsulfuron-methyl"	"EPA_DSSTox"	"COC(=O)C1=C(C=CC=C1)S(=O)(=O)NC(=O)NC1=NC(C)=NC(OC)=N1"	"CC1N=C(N=C(NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)N=1)OC"	"?"	"InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)"	"RSMUVYRMZCOLBH-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1613"	"74441-05-7"	"DTXSID3052486"	"C.I. Pigment Yellow 181"	"EPA_DSSTox"	"CC(=O)C(N=NC1=CC=C(C=C1)C(=O)NC1=CC=C(C=C1)C(N)=O)C(=O)NC1=CC2=C(NC(=O)N2)C=C1"	"CC(=O)C(N=NC1C=CC(=CC=1)C(=O)NC1C=CC(=CC=1)C(N)=O)C(=O)NC1C=C2NC(=O)NC2=CC=1"	"?"	"InChI=1S/C25H21N7O5/c1-13(33)21(24(36)28-18-10-11-19-20(12-18)30-25(37)29-19)32-31-17-8-4-15(5-9-17)23(35)27-16-6-2-14(3-7-16)22(26)34/h2-12,21H,1H3,(H2,26,34)(H,27,35)(H,28,36)(H2,29,30,37)"	"PXMLTVJEYHGPEH-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1614"	"74697-35-1"			"Public_CrossChecked"	"COc1ccc(cc1)C1(NC(=O)NC1=O)c1ccc(OC)c(C)c1"	"CC1C=C(C=CC=1OC)C1(NC(=O)NC1=O)C1C=CC(=CC=1)OC"	"?"	"InChI=1S/C18H18N2O4/c1-11-10-13(6-9-15(11)24-3)18(16(21)19-17(22)20-18)12-4-7-14(23-2)8-5-12/h4-10H,1-3H3,(H2,19,20,21,22)"	"FTRSYIDWPWZXID-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1615"	"74712-19-9"	"DTXSID2058176"	"Bromobutide"	"EPA_DSSTox"	"CC(C)(C)C(Br)C(O)=NC(C)(C)C1=CC=CC=C1"	"CC(C)(C)C(Br)/C(/O)=N/C(C)(C)C1C=CC=CC=1"	"?"	"InChI=1S/C15H22BrNO/c1-14(2,3)12(16)13(18)17-15(4,5)11-9-7-6-8-10-11/h6-10,12H,1-5H3,(H,17,18)"	"WZDDLAZXUYIVMU-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1616"	"74859-41-9"			"Public_CrossChecked"	"CC1N=C(c2ccccc2F)c2c(Br)c(NC(=O)NCCO)ccc2N(C)C1=O"	"CC1N=C(C2C(Br)=C(C=CC=2N(C)C1=O)NC(=O)NCCO)C1C=CC=CC=1F"	"?"	"InChI=1S/C20H20BrFN4O3/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)"	"UZFSGBHZBSTXLJ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1617"	"7518-35-6"			"Public_CrossChecked"	"CS(=O)(=O)OC[C@@H](OS(C)(=O)=O)[C@@H](O)[C@H](O)[C@@H](COS(C)(=O)=O)OS(C)(=O)=O"	"CS(=O)(=O)OC(COS(C)(=O)=O)C(O)C(O)C(COS(C)(=O)=O)OS(C)(=O)=O"	"?"	"InChI=1S/C10H22O14S4/c1-25(13,14)21-5-7(23-27(3,17)18)9(11)10(12)8(24-28(4,19)20)6-22-26(2,15)16/h7-12H,5-6H2,1-4H3"	"UUVIQYKKKBJYJT-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1618"	"75330-75-5"	"DTXSID5020784"	"Lovastatin"	"EPA_DSSTox"	"[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC"	"CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21"	"?"	"InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3"	"PCZOHLXUXFIOCF-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1619"	"7598-80-3"			"Public_CrossChecked"	"OC(c1ccccc1)c1ccc(cc1)-c1ccccc1"	"OC(C1C=CC=CC=1)C1C=CC(=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C19H16O/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,19-20H"	"WMFZVLIHQVUVGO-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1620"	"76199-85-4"	"DTXSID7072836"	"Acetamide, 2-cyano-2-[2,3-dihydro-3-(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene]-N-methyl-"	"EPA_DSSTox"	"CNC(=O)C(C#N)=C1NC(C2=CC=CC=C12)=C1C(=O)NC(=O)NC1=O"	"CNC(=O)C(C#N)=C1NC(=C2C(=O)NC(=O)NC2=O)C2=CC=CC=C21"	"?"	"InChI=1S/C16H11N5O4/c1-18-13(22)9(6-17)11-7-4-2-3-5-8(7)12(19-11)10-14(23)20-16(25)21-15(10)24/h2-5,19H,1H3,(H,18,22)(H2,20,21,23,24,25)"	"ACUPDOXCXXCPIX-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1621"	"76648-01-6"	"DTXSID50227467"	"Cefbuperazone sodium"	"EPA_DSSTox"	"[Na+].CCN1CCN(C(=O)N[C@H]([C@H](C)O)C(=O)N[C@@]2(OC)[C@H]3SCC(CSC4=NN=NN4C)=C(N3C2=O)C([O-])=O)C(=O)C1=O"	"CN1N=NN=C1SCC1CSC2N(C=1C(O)=O)C(=O)C2(NC(=O)C(NC(=O)N1CCN(CC)C(=O)C1=O)C(C)O)OC"	"[Na+]"	"InChI=1S/C22H29N9O9S2/c1-5-29-6-7-30(16(35)15(29)34)20(39)23-12(10(2)32)14(33)24-22(40-4)18(38)31-13(17(36)37)11(8-41-19(22)31)9-42-21-25-26-27-28(21)3/h10,12,19,32H,5-9H2,1-4H3,(H,23,39)(H,24,33)(H,36,37)"	"SMSRCGPDNDCXFR-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1622"	"77501-63-4"	"DTXSID7024160"	"Lactofen"	"EPA_DSSTox"	"CCOC(=O)C(C)OC(=O)C1=C(C=CC(OC2=C(Cl)C=C(C=C2)C(F)(F)F)=C1)[N+]([O-])=O"	"CCOC(=O)C(C)OC(=O)C1C=C(C=CC=1[N+]([O-])=O)OC1C=CC(=CC=1Cl)C(F)(F)F"	"?"	"InChI=1S/C19H15ClF3NO7/c1-3-29-17(25)10(2)30-18(26)13-9-12(5-6-15(13)24(27)28)31-16-7-4-11(8-14(16)20)19(21,22)23/h4-10H,3H2,1-2H3"	"CONWAEURSVPLRM-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1623"	"7774-65-4"	"DTXSID50864114"	"Propanoic acid, 2-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester"	"EPA_DSSTox"	"CC(C)C(=O)OC(C)(C)C1CCC(C)=CC1"	"CC1CCC(CC=1)C(C)(C)OC(=O)C(C)C"	"?"	"InChI=1S/C14H24O2/c1-10(2)13(15)16-14(4,5)12-8-6-11(3)7-9-12/h6,10,12H,7-9H2,1-5H3"	"SMQUXKIIXFOJKI-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1624"	"77804-81-0"	"DTXSID2052520"	"C.I. Pigment Yellow 180"	"EPA_DSSTox"	"CC(=O)C(N=NC1=CC=CC(OCCOC2=C(C=CC=C2)N=NC(C(C)=O)C(=O)NC2=CC3=C(NC(=O)N3)C=C2)=C1)C(=O)NC1=CC2=C(NC(=O)N2)C=C1"	"CC(=O)C(N=NC1=CC=CC=C1OCCOC1C=C(C=CC=1)N=NC(C(=O)NC1C=C2NC(=O)NC2=CC=1)C(C)=O)C(=O)NC1C=C2NC(=O)NC2=CC=1"	"?"	"InChI=1S/C36H32N10O8/c1-19(47)31(33(49)37-21-10-12-25-28(17-21)41-35(51)39-25)45-43-23-6-5-7-24(16-23)53-14-15-54-30-9-4-3-8-27(30)44-46-32(20(2)48)34(50)38-22-11-13-26-29(18-22)42-36(52)40-26/h3-13,16-18,31-32H,14-15H2,1-2H3,(H,37,49)(H,38,50)(H2,39,41,51)(H2,40,42,52)"	"OEKRYKURBNYHBM-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1625"	"78-08-0"	"DTXSID3044463"	"Ethenyl(triethoxy)silane"	"EPA_DSSTox"	"CCO[Si](OCC)(OCC)C=C"	"CCO[Si](C=C)(OCC)OCC"	"?"	"InChI=1S/C8H18O3Si/c1-5-9-12(8-4,10-6-2)11-7-3/h8H,4-7H2,1-3H3"	"FWDBOZPQNFPOLF-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1626"	"78110-38-0"	"DTXSID0022640"	"Aztreonam"	"EPA_DSSTox"	"C[C@H]1[C@H](NC(=O)C(=NOC(C)(C)C(O)=O)C2=CSC(N)=N2)C(=O)N1S(O)(=O)=O"	"CC1C(NC(=O)C(=NOC(C)(C)C(O)=O)C2=CSC(N)=N2)C(=O)N1S(O)(=O)=O"	"?"	"InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)"	"WZPBZJONDBGPKJ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1627"	"79350-37-1"	"DTXSID7022754"	"Cefixime"	"EPA_DSSTox"	"NC1=NC(=CS1)C(=NOCC(O)=O)C(=O)N[C@H]1[C@H]2SCC(C=C)=C(N2C1=O)C(O)=O"	"C=CC1CSC2C(NC(=O)C(=NOCC(O)=O)C3=CSC(N)=N3)C(=O)N2C=1C(O)=O"	"?"	"InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)"	"OKBVVJOGVLARMR-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1628"	"80844-07-1"	"DTXSID9032610"	"Etofenprox"	"EPA_DSSTox"	"CCOC1=CC=C(C=C1)C(C)(C)COCC1=CC(OC2=CC=CC=C2)=CC=C1"	"CCOC1C=CC(=CC=1)C(C)(C)COCC1C=C(C=CC=1)OC1C=CC=CC=1"	"?"	"InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3"	"YREQHYQNNWYQCJ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1629"	"81-33-4"	"DTXSID9052555"	"Pigment Violet 29"	"EPA_DSSTox"	"O=C1NC(=O)C2=CC=C3C4=CC=C5C(=O)NC(=O)C6=CC=C(C7=CC=C1C2=C37)C4=C56"	"O=C1NC(=O)C2C=CC3=C4C(C=CC1C=24)C1=CC=C2C4=C1C3=CC=C4C(=O)NC2=O"	"?"	"InChI=1S/C24H12N2O4/c27-21-13-5-1-9-10-2-6-15-20-16(24(30)26-23(15)29)8-4-12(18(10)20)11-3-7-14(22(28)25-21)19(13)17(9)11/h1-9,13H,(H,25,27,28)(H,26,29,30)"	"YBYTVLPOUVATMF-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1630"	"81131-70-6"	"DTXSID6047525"	"Pravastatin sodium"	"EPA_DSSTox"	"[Na+].CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12"	"CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC(O)=O)C21"	"[Na+]"	"InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)"	"TUZYXOIXSAXUGO-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1631"	"814-89-1"	"DTXSID10883588"	"Ethanedioic acid, cobalt(2+) salt (1:1)"	"EPA_DSSTox"	"[Co++].[O-]C(=O)C([O-])=O"	"OC(=O)C(O)=O"	"[Co+2]"	"InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)"	"MUBZPKHOEPUJKR-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1632"	"82219-81-6"	"DTXSID40231634"	"Cefuzonam sodium"	"EPA_DSSTox"	"[Na+].CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(CSC3=CN=NS3)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1"	"CON=C(C1=CSC(N)=N1)C(=O)NC1C2SCC(CSC3=CN=NS3)=C(C(O)=O)N2C1=O"	"[Na+]"	"InChI=1S/C16H15N7O5S4/c1-28-21-9(7-5-31-16(17)19-7)12(24)20-10-13(25)23-11(15(26)27)6(4-30-14(10)23)3-29-8-2-18-22-32-8/h2,5,10,14H,3-4H2,1H3,(H2,17,19)(H,20,24)(H,26,27)"	"CXHKZHZLDMQGFF-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1633"	"82692-44-2"	"DTXSID5058193"	"Benzofenap"	"EPA_DSSTox"	"CN1N=C(C)C(C(=O)C2=C(Cl)C(C)=C(Cl)C=C2)=C1OCC(=O)C1=CC=C(C)C=C1"	"CC1C=CC(=CC=1)C(=O)COC1=C(C(=O)C2=CC=C(Cl)C(C)=C2Cl)C(C)=NN1C"	"?"	"InChI=1S/C22H20Cl2N2O3/c1-12-5-7-15(8-6-12)18(27)11-29-22-19(14(3)25-26(22)4)21(28)16-9-10-17(23)13(2)20(16)24/h5-10H,11H2,1-4H3"	"JDWQITFHZOBBFE-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1634"	"82697-78-7"			"Public_CrossChecked"	"COc1ccccc1C1NC(=O)CCS1"	"COC1C=CC=CC=1C1NC(=O)CCS1"	"?"	"InChI=1S/C11H13NO2S/c1-14-9-5-3-2-4-8(9)11-12-10(13)6-7-15-11/h2-5,11H,6-7H2,1H3,(H,12,13)"	"CQULDBBHGMHIAE-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1635"	"82875-40-9"	"DTXSID20232048"	"5-Thiazolecarboxamide, 2-(3,4-dimethoxyphenyl)-4-methyl-N-propyl-"	"EPA_DSSTox"	"CCCNC(=O)C1=C(C)N=C(S1)C1=CC(OC)=C(OC)C=C1"	"CC1N=C(SC=1C(=O)NCCC)C1C=C(OC)C(=CC=1)OC"	"?"	"InChI=1S/C16H20N2O3S/c1-5-8-17-15(19)14-10(2)18-16(22-14)11-6-7-12(20-3)13(9-11)21-4/h6-7,9H,5,8H2,1-4H3,(H,17,19)"	"LWLNFNPLZXYXMZ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1636"	"82875-44-3"	"DTXSID10232052"	"5-Thiazolecarboxamide, 2-(4-methoxyphenyl)-4-methyl-"	"EPA_DSSTox"	"COC1=CC=C(C=C1)C1=NC(C)=C(S1)C(N)=O"	"CC1N=C(SC=1C(N)=O)C1C=CC(=CC=1)OC"	"?"	"InChI=1S/C12H12N2O2S/c1-7-10(11(13)15)17-12(14-7)8-3-5-9(16-2)6-4-8/h3-6H,1-2H3,(H2,13,15)"	"GEXIUKNFKXMXHI-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1637"	"83055-99-6"	"DTXSID7024164"	"Bensulfuron-methyl"	"EPA_DSSTox"	"COC(=O)C1=C(CS(=O)(=O)NC(=O)NC2=NC(OC)=CC(OC)=N2)C=CC=C1"	"COC1=CC(=NC(NC(=O)NS(=O)(=O)CC2C=CC=CC=2C(=O)OC)=N1)OC"	"?"	"InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)"	"XMQFTWRPUQYINF-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1638"	"83395-28-2"	"DTXSID10232310"	"Carbamic acid, (7-(3,6-dihydro-1(2H)-pyridinyl)-2-oxo-2H-(1,2,4)oxadiazolo(2,3-c)pyrimidin-5-yl)-, butyl ester"	"EPA_DSSTox"	"CCCCOC(=O)NC1=NC(=CC2=NC(=O)ON12)N1CCC=CC1"	"CCCCOC(=O)NC1=NC(=CC2=NC(=O)ON12)N1CCC=CC1"	"?"	"InChI=1S/C15H19N5O4/c1-2-3-9-23-14(21)18-13-16-11(19-7-5-4-6-8-19)10-12-17-15(22)24-20(12)13/h4-5,10H,2-3,6-9H2,1H3,(H,16,18,21)"	"ZMVJFDSUHZPPDR-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1639"	"836-30-6"	"DTXSID8027323"	"4-Nitro-N-phenylaniline"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC=C(NC2=CC=CC=C2)C=C1"	"[O-][N+](=O)C1C=CC(=CC=1)NC1C=CC=CC=1"	"?"	"InChI=1S/C12H10N2O2/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H"	"XXYMSQQCBUKFHE-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1640"	"841-06-5"	"DTXSID2040286"	"Methoprotryne"	"EPA_DSSTox"	"COCCCNC1=NC(NC(C)C)=NC(SC)=N1"	"COCCCNC1N=C(N=C(NC(C)C)N=1)SC"	"?"	"InChI=1S/C11H21N5OS/c1-8(2)13-10-14-9(12-6-5-7-17-3)15-11(16-10)18-4/h8H,5-7H2,1-4H3,(H2,12,13,14,15,16)"	"DDUIUBPJPOKOMV-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1641"	"84496-56-0"	"DTXSID0058198"	"Clomeprop"	"EPA_DSSTox"	"CC(OC1=C(Cl)C(C)=C(Cl)C=C1)C(O)=NC1=CC=CC=C1"	"CC1C(Cl)=C(C=CC=1Cl)OC(C)/C(/O)=N/C1C=CC=CC=1"	"?"	"InChI=1S/C16H15Cl2NO2/c1-10-13(17)8-9-14(15(10)18)21-11(2)16(20)19-12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,19,20)"	"BDQWWOHKFDSADC-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1642"	"848-75-9"			"Public_CrossChecked"	"CN1c2ccc(Cl)cc2C(=NC(O)C1=O)c1ccccc1Cl"	"CN1C(O)C(=O)N=C(C2C=C(Cl)C=CC1=2)C1C=CC=CC=1Cl"	"?"	"InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,16,22H,1H3"	"PPYYUVDBPPOBDK-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1643"	"85559-57-5"			"Public_CrossChecked"	"[Na+].[Na+].CC1(C)[C@H](CC[C@@]2(C)C1CC[C@]1(C)C2CC=C2[C@H]3C[C@@](C)(CC[C@]3(C)CC[C@@]12C)C([O-])=O)OC(=O)C=CC([O-])=O"	"CC1(C)C2CCC3(C)C(CC=C4C5CC(C)(CCC5(C)CCC34C)C(O)=O)C2(C)CCC1OC(=O)C=CC(O)=O"	"[Na+].[Na+]"	"InChI=1S/C34H50O6/c1-29(2)23-12-15-34(7)24(32(23,5)14-13-25(29)40-27(37)11-10-26(35)36)9-8-21-22-20-31(4,28(38)39)17-16-30(22,3)18-19-33(21,34)6/h8,10-11,22-25H,9,12-20H2,1-7H3,(H,35,36)(H,38,39)"	"FFIOELQXQHRGCH-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1644"	"86209-51-0"	"DTXSID8032463"	"Primisulfuron-methyl"	"EPA_DSSTox"	"COC(=O)C1=C(C=CC=C1)S(=O)(=O)NC(=O)NC1=NC(OC(F)F)=CC(OC(F)F)=N1"	"COC(=O)C1C=CC=CC=1S(=O)(=O)NC(=O)NC1N=C(C=C(N=1)OC(F)F)OC(F)F"	"?"	"InChI=1S/C15H12F4N4O7S/c1-28-11(24)7-4-2-3-5-8(7)31(26,27)23-15(25)22-14-20-9(29-12(16)17)6-10(21-14)30-13(18)19/h2-6,12-13H,1H3,(H2,20,21,22,23,25)"	"ZTYVMAQSHCZXLF-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1645"	"866-84-2"	"DTXSID8027325"	"1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tripotassium salt"	"EPA_DSSTox"	"[K+].[K+].[K+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O"	"OC(=O)C(O)(CC(O)=O)CC(O)=O"	"[K+].[K+].[K+]"	"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"		"4"	"5"	"FALSE"	"TRUE"
"1646"	"871-70-5"	"DTXSID1074331"	"Octadecanedioic acid"	"EPA_DSSTox"	"OC(=O)CCCCCCCCCCCCCCCCC(O)=O"	"OC(=O)CCCCCCCCCCCCCCCCC(O)=O"	"?"	"InChI=1S/C18H34O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,19,20)(H,21,22)"	"BNJOQKFENDDGSC-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1647"	"87495-31-6"	"DTXSID70236354"	"Disoxaril"	"EPA_DSSTox"	"CC1=NOC(CCCCCCCOC2=CC=C(C=C2)C2=NCCO2)=C1"	"CC1C=C(CCCCCCCOC2C=CC(=CC=2)C2=NCCO2)ON=1"	"?"	"InChI=1S/C20H26N2O3/c1-16-15-19(25-22-16)7-5-3-2-4-6-13-23-18-10-8-17(9-11-18)20-21-12-14-24-20/h8-11,15H,2-7,12-14H2,1H3"	"FKLJPTJMIBLJAV-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1648"	"88-84-6"	"DTXSID5052599"	"(1S,4S)-1,4-Dimethyl-7-(propan-2-ylidene)-1,2,3,4,5,6,7,8-octahydroazulene"	"EPA_DSSTox"	"C[C@H]1CCC2=C1CC(CC[C@@H]2C)=C(C)C"	"CC(C)=C1CC2C(C)CCC=2C(C)CC1"	"?"	"InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-12H,5-9H2,1-4H3"	"GIBQERSGRNPMEH-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1649"	"89567-03-3"	"DTXSID90237782"	"2-Chloromethyl-5,6,7,8-tetrahydrobenzo(b)thieno(2,3-d)pyrimidin-4(3H)-one"	"EPA_DSSTox"	"ClCC1=NC2=C(C3=C(CCCC3)S2)C(=O)N1"	"O=C1NC(CCl)=NC2SC3CCCCC=3C=21"	"?"	"InChI=1S/C11H11ClN2OS/c12-5-8-13-10(15)9-6-3-1-2-4-7(6)16-11(9)14-8/h1-5H2,(H,13,14,15)"	"GDHMBNWVLWMONW-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1650"	"9004-70-0"	"DTXSID4047751"	"Nitrocellulose"	"EPA_DSSTox"	"O[C@H]1O[C@H](CO[N+]([O-])=O)[C@@H](O)[C@H](O[N+]([O-])=O)[C@H]1O[N+]([O-])=O"	"[O-][N+](=O)OC1C(O[N+]([O-])=O)C(O)OC(CO[N+]([O-])=O)C1O"	"?"	"InChI=1S/C6H9N3O12/c10-3-2(1-18-7(12)13)19-6(11)5(21-9(16)17)4(3)20-8(14)15/h2-6,10-11H,1H2"	"YCJXFHSERGDTTF-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1651"	"90717-03-6"	"DTXSID1042364"	"Quinmerac"	"EPA_DSSTox"	"CC1=CC2=C(N=C1)C(C(O)=O)=C(Cl)C=C2"	"CC1=CC2C=CC(Cl)=C(C(O)=O)C=2N=C1"	"?"	"InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)"	"ALZOLUNSQWINIR-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1652"	"91524-15-1"	"DTXSID10238610"	"Irloxacin"	"EPA_DSSTox"	"CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1C=CC=C1"	"CCN1C=C(C(O)=O)C(=O)C2C=C(F)C(=CC1=2)N1C=CC=C1"	"?"	"InChI=1S/C16H13FN2O3/c1-2-18-9-11(16(21)22)15(20)10-7-12(17)14(8-13(10)18)19-5-3-4-6-19/h3-9H,2H2,1H3,(H,21,22)"	"RZLHGQLYNZQZQQ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1653"	"92-78-4"	"DTXSID7059066"	"2-Naphthalenecarboxamide, N-(4-chlorophenyl)-3-hydroxy-"	"EPA_DSSTox"	"OC1=C(C=C2C=CC=CC2=C1)C(=O)NC1=CC=C(Cl)C=C1"	"OC1=CC2C=CC=CC=2C=C1C(=O)NC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C17H12ClNO2/c18-13-5-7-14(8-6-13)19-17(21)15-9-11-3-1-2-4-12(11)10-16(15)20/h1-10,20H,(H,19,21)"	"OHAXNCGNVGGWSO-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1654"	"92484-48-5"	"DTXSID00888244"	"Benzenesulfonic acid, 3-(2H-benzotriazol-2-yl)-4-hydroxy-5-(1-methylpropyl)-, sodium salt (1:1)"	"EPA_DSSTox"	"[Na+].CCC(C)C1=C(O)C(=CC(=C1)S([O-])(=O)=O)N1N=C2C=CC=CC2=N1"	"CCC(C)C1=CC(=CC(=C1O)N1N=C2C=CC=CC2=N1)S(O)(=O)=O"	"[Na+]"	"InChI=1S/C16H17N3O4S/c1-3-10(2)12-8-11(24(21,22)23)9-15(16(12)20)19-17-13-6-4-5-7-14(13)18-19/h4-10,20H,3H2,1-2H3,(H,21,22,23)"	"RUFMFWSJTRYOPL-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1655"	"93-92-5"	"DTXSID6041636"	"(+/-)-alpha-Methylbenzyl acetate"	"EPA_DSSTox"	"CC(OC(C)=O)C1=CC=CC=C1"	"CC(=O)OC(C)C1C=CC=CC=1"	"?"	"InChI=1S/C10H12O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h3-8H,1-2H3"	"QUMXDOLUJCHOAY-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1656"	"93633-92-2"			"Public_CrossChecked"	"COc1ccccc1OCCNCC(O)c1ccc(C)c(c1)S(N)(=O)=O"	"CC1C=CC(=CC=1S(N)(=O)=O)C(O)CNCCOC1C=CC=CC=1OC"	"?"	"InChI=1S/C18H24N2O5S/c1-13-7-8-14(11-18(13)26(19,22)23)15(21)12-20-9-10-25-17-6-4-3-5-16(17)24-2/h3-8,11,15,20-21H,9-10,12H2,1-2H3,(H2,19,22,23)"	"LVEXHFZHOIWIIP-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1657"	"94055-76-2"	"DTXSID9045003"	"Suplatast tosylate"	"EPA_DSSTox"	"CC1=CC=C(C=C1)S([O-])(=O)=O.CCOCC(O)COC1=CC=C(NC(=O)CC[S+](C)C)C=C1"	"CCOCC(O)COC1C=CC(=CC=1)NC(=O)CC[S+](C)C"	"CC1=CC=C(S(=O)(=O)[O-])C=C1"	"InChI=1S/C16H25NO4S/c1-4-20-11-14(18)12-21-15-7-5-13(6-8-15)17-16(19)9-10-22(2)3/h5-8,14,18H,4,9-12H2,1-3H3/p+1"	"DYZJXZOQQRXDLE-UHFFFAOYSA-O"		"4"	"5"	"FALSE"	"TRUE"
"1658"	"94593-91-6"	"DTXSID5058220"	"Cinosulfuron"	"EPA_DSSTox"	"COCCOC1=CC=CC=C1S(=O)(=O)N=C(O)N=C1N=C(NC(OC)=N1)OC"	"COCCOC1=CC=CC=C1S(=O)(=O)/N=C(\O)/N=C1N=C(NC(=N1)OC)OC"	"?"	"InChI=1S/C15H19N5O7S/c1-24-8-9-27-10-6-4-5-7-11(10)28(22,23)20-13(21)16-12-17-14(25-2)19-15(18-12)26-3/h4-7H,8-9H2,1-3H3,(H2,16,17,18,19,20,21)"	"WMLPCIHUFDKWJU-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1659"	"95615-72-8"	"DTXSID90241900"	"Cefroxadine dihydrate"	"EPA_DSSTox"	"O.O.COC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C1=CCC=CC1)C2=O)C(O)=O"	"COC1CSC2C(NC(=O)C(N)C3CC=CCC=3)C(=O)N2C=1C(O)=O"	"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"		"4"	"5"	"FALSE"	"TRUE"
"1660"	"96036-03-2"	"DTXSID7045526"	"Meropenem"	"EPA_DSSTox"	"C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)=C(N2C1=O)C(O)=O"	"CN(C)C(=O)C1CC(CN1)SC1C(C)C2C(C(C)O)C(=O)N2C=1C(O)=O"	"?"	"InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)"	"DMJNNHOOLUXYBV-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1661"	"976-71-6"	"DTXSID3045930"	"Canrenone"	"EPA_DSSTox"	"C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCC(=O)O1"	"CC12CCC3C(C=CC4=CC(=O)CCC43C)C1CCC12CCC(=O)O1"	"?"	"InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3"	"UJVLDDZCTMKXJK-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1662"	"981-40-8"	"DTXSID10274038"	"p-tert-Butylphenyl diphenyl phosphate"	"EPA_DSSTox"	"CC(C)(C)C1=CC=C(OP(=O)(OC2=CC=CC=C2)OC2=CC=CC=C2)C=C1"	"CC(C)(C)C1C=CC(=CC=1)OP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1"	"?"	"InChI=1S/C22H23O4P/c1-22(2,3)18-14-16-21(17-15-18)26-27(23,24-19-10-6-4-7-11-19)25-20-12-8-5-9-13-20/h4-17H,1-3H3"	"ULGAVXUJJBOWOD-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1663"	"98631-95-9"	"DTXSID5045203"	"Sobuzoxane"	"EPA_DSSTox"	"CC(C)COC(=O)OCN1C(=O)CN(CCN2CC(=O)N(COC(=O)OCC(C)C)C(=O)C2)CC1=O"	"CC(C)COC(=O)OCN1C(=O)CN(CC1=O)CCN1CC(=O)N(COC(=O)OCC(C)C)C(=O)C1"	"?"	"InChI=1S/C22H34N4O10/c1-15(2)11-33-21(31)35-13-25-17(27)7-23(8-18(25)28)5-6-24-9-19(29)26(20(30)10-24)14-36-22(32)34-12-16(3)4/h15-16H,5-14H2,1-4H3"	"OCOKWVBYZHBHLU-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1664"	"99105-77-8"	"DTXSID9058230"	"Sulcotrione"	"EPA_DSSTox"	"CS(=O)(=O)C1=CC(Cl)=C(C=C1)C(=O)C1C(=O)CCCC1=O"	"CS(=O)(=O)C1C=C(Cl)C(=CC=1)C(=O)C1C(=O)CCCC1=O"	"?"	"InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3"	"PQTBTIFWAXVEPB-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"1665"	"50782-69-9"	"DTXSID80866161"	"Phosphonothioic acid, P-methyl-, S-[2-[bis(1-methylethyl)amino]ethyl] O-ethyl ester"	"EPA_DSSTox"	"CCOP(C)(=O)SCCN(C(C)C)C(C)C"	"CCOP(C)(=O)SCCN(C(C)C)C(C)C"	"?"	"InChI=1S/C11H26NO2PS/c1-7-14-15(6,13)16-9-8-12(10(2)3)11(4)5/h10-11H,7-9H2,1-6H3"	"JJIUCEJQJXNMHV-UHFFFAOYSA-N"	"0.012"	"1"	"1"	"TRUE"	"FALSE"
"1666"	"20820-80-8"			"Public_CrossChecked"	"CCOP(C)(=O)SCCN(C)C"	"CCOP(C)(=O)SCCN(C)C"	"?"	"InChI=1S/C7H18NO2PS/c1-5-10-11(4,9)12-7-6-8(2)3/h5-7H2,1-4H3"	"PKDYQTANBZBIRM-UHFFFAOYSA-N"	"0.122"	"1"	"1"	"TRUE"	"FALSE"
"1667"	"35523-89-8"	"DTXSID3074313"	"Saxitoxin"	"EPA_DSSTox"	"NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22NC(=N)N[C@@H]12"	"[H]/N=C1\NC(COC(N)=O)C2N/C(/NC32N\1CCC3(O)O)=N/[H]"	"?"	"InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)"	"RPQXVSUAYFXFJA-UHFFFAOYSA-N"	"0.192"	"1"	"1"	"TRUE"	"FALSE"
"1668"	"2600-69-3"	"DTXSID4037586"	"Phorate oxon"	"EPA_DSSTox"	"CCOP(=O)(OCC)SCSCC"	"CCSCSP(=O)(OCC)OCC"	"?"	"InChI=1S/C7H17O3PS2/c1-4-9-11(8,10-5-2)13-7-12-6-3/h4-7H2,1-3H3"	"FMXFZNGITFNSAG-UHFFFAOYSA-N"	"0.25"	"1"	"1"	"TRUE"	"FALSE"
"1669"	"96-64-0"	"DTXSID2031906"	"Pinacolyl methylphosphonofluoridate"	"EPA_DSSTox"	"CC(OP(C)(F)=O)C(C)(C)C"	"CC(OP(C)(=O)F)C(C)(C)C"	"?"	"InChI=1S/C7H16FO2P/c1-6(7(2,3)4)10-11(5,8)9/h6H,1-5H3"	"GRXKLBBBQUKJJZ-UHFFFAOYSA-N"	"0.4"	"1"	"1"	"TRUE"	"FALSE"
"1670"	"2588-06-9"	"DTXSID6058346"	"Phoratoxon sulfone"	"EPA_DSSTox"	"CCOP(=O)(OCC)SCS(=O)(=O)CC"	"CCS(=O)(=O)CSP(=O)(OCC)OCC"	"?"	"InChI=1S/C7H17O5PS2/c1-4-11-13(8,12-5-2)14-7-15(9,10)6-3/h4-7H2,1-3H3"	"IIMUEPCADBPEMF-UHFFFAOYSA-N"	"0.5"	"1"	"1"	"TRUE"	"FALSE"
"1671"	"22683-30-3"			"Public_CrossChecked"	"NCCOCNc1ccccc1"	"NCCOCNC1C=CC=CC=1"	"?"	"InChI=1S/C9H14N2O/c10-6-7-12-8-11-9-4-2-1-3-5-9/h1-5,11H,6-8,10H2"	"KQNZSZNDAMAKFF-UHFFFAOYSA-N"	"0.625"	"1"	"1"	"TRUE"	"FALSE"
"1672"	"33232-88-1"			"Public_CrossChecked"	"CCP(=O)(OC)Oc1ccc(cc1)C#N"	"COP(=O)(CC)OC1C=CC(=CC=1)C#N"	"?"	"InChI=1S/C10H12NO3P/c1-3-15(12,13-2)14-10-6-4-9(8-11)5-7-10/h4-7H,3H2,1-2H3"	"MNSKANYJEVJUOP-UHFFFAOYSA-N"	"0.78"	"1"	"1"	"TRUE"	"FALSE"
"1673"	"21409-76-7"	"DTXSID3073426"	"Phosphorothioic acid, O-(1,2-dihydro-1,6-dimethyl-2-oxo-4-pyridinyl) O,O-dimethyl ester"	"EPA_DSSTox"	"COP(=S)(OC)OC1=CC(=O)N(C)C(C)=C1"	"CC1=CC(=CC(=O)N1C)OP(=S)(OC)OC"	"?"	"InChI=1S/C9H14NO4PS/c1-7-5-8(6-9(11)10(7)2)14-15(16,12-3)13-4/h5-6H,1-4H3"	"FLPJISDBJCTMBC-UHFFFAOYSA-N"	"0.812"	"1"	"1"	"TRUE"	"FALSE"
"1674"	"66637-26-1"			"Public_CrossChecked"	"CNC(=O)ON=C1SC(C)C(=O)NC1(C)C"	"CNC(=O)ON=C1SC(C)C(=O)NC1(C)C"	"?"	"InChI=1S/C9H15N3O3S/c1-5-6(13)11-9(2,3)7(16-5)12-15-8(14)10-4/h5H,1-4H3,(H,10,14)(H,11,13)"	"HCATVRLRURSXDN-UHFFFAOYSA-N"	"0.884"	"1"	"1"	"TRUE"	"FALSE"
"1675"	"56217-65-3"			"Public_CrossChecked"	"CC(C)COP(C)(=O)SCCN(C)C"	"CC(C)COP(C)(=O)SCCN(C)C"	"?"	"InChI=1S/C9H22NO2PS/c1-9(2)8-12-13(5,11)14-7-6-10(3)4/h9H,6-8H2,1-5H3"	"OVBJVFPBWXJERA-UHFFFAOYSA-N"	"0.944"	"1"	"1"	"TRUE"	"FALSE"
"1676"	"2588-05-8"	"DTXSID6042284"	"Phorate oxon sulfoxide"	"EPA_DSSTox"	"CCOP(=O)(OCC)SCS(=O)CC"	"CCS(=O)CSP(=O)(OCC)OCC"	"?"	"InChI=1S/C7H17O4PS2/c1-4-10-12(8,11-5-2)13-7-14(9)6-3/h4-7H2,1-3H3"	"RCRHKXGEYNVPDK-UHFFFAOYSA-N"	"1.0"	"1"	"1"	"TRUE"	"FALSE"
"1677"	"5836-73-7"	"DTXSID6058136"	"Promurit"	"EPA_DSSTox"	"SC(=N)NN=NC1=CC(Cl)=C(Cl)C=C1"	"[H]/N=C(\S)/N/N=N/C1C=CC(Cl)=C(Cl)C=1"	"?"	"InChI=1S/C7H6Cl2N4S/c8-5-2-1-4(3-6(5)9)11-13-12-7(10)14/h1-3H,(H3,10,11,12,14)"	"BOQUJWASRWDQOS-UHFFFAOYSA-N"	"1.0"	"1"	"1"	"TRUE"	"FALSE"
"1678"	"2588-04-7"	"DTXSID6042282"	"Phorate sulfone"	"EPA_DSSTox"	"CCOP(=S)(OCC)SCS(=O)(=O)CC"	"CCS(=O)(=O)CSP(=S)(OCC)OCC"	"?"	"InChI=1S/C7H17O4PS3/c1-4-10-12(13,11-5-2)14-7-15(8,9)6-3/h4-7H2,1-3H3"	"YVPSNUIHHFTTRL-UHFFFAOYSA-N"	"1.2"	"1"	"1"	"TRUE"	"FALSE"
"1679"	"6609-36-5"	"DTXSID00216280"	"Benzimidazole, 6-bromo-4-nitro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC(Br)=CC2=C1N=C(N2)C(F)(F)F"	"[O-][N+](=O)C1C=C(Br)C=C2NC(=NC=12)C(F)(F)F"	"?"	"InChI=1S/C8H3BrF3N3O2/c9-3-1-4-6(5(2-3)15(16)17)14-7(13-4)8(10,11)12/h1-2H,(H,13,14)"	"USUPLSWSXSTERT-UHFFFAOYSA-N"	"1.234"	"1"	"1"	"TRUE"	"FALSE"
"1680"	"2097-19-0"	"DTXSID1062176"	"Phenylsilatrane"	"EPA_DSSTox"	"C1CN2CCO[Si](O1)(OCC2)C1=CC=CC=C1"	"C1CO[Si]2(OCCN1CCO2)C1C=CC=CC=1"	"?"	"InChI=1S/C12H17NO3Si/c1-2-4-12(5-3-1)17-14-9-6-13(7-10-15-17)8-11-16-17/h1-5H,6-11H2"	"IJOIPPSHQCEBDH-UHFFFAOYSA-N"	"1.48"	"1"	"1"	"TRUE"	"FALSE"
"1681"	"60756-96-9"			"Public_CrossChecked"	"OCCC1CCN(CCC=C2c3ccc(F)cc3Sc3ccc(cc23)C(F)(F)F)CC1"	"OCCC1CCN(CCC=C2C3=CC(=CC=C3SC3C=C(F)C=CC2=3)C(F)(F)F)CC1"	"?"	"InChI=1S/C24H25F4NOS/c25-18-4-5-20-19(2-1-10-29-11-7-16(8-12-29)9-13-30)21-14-17(24(26,27)28)3-6-22(21)31-23(20)15-18/h2-6,14-16,30H,1,7-13H2"	"CCUOZZURYIZOKX-UHFFFAOYSA-N"	"1.5"	"1"	"1"	"TRUE"	"FALSE"
"1682"	"89427-09-8"	"DTXSID40237671"	"Benzimidazole, 2,4-bis(trifluoromethyl)-6-chloro-"	"EPA_DSSTox"	"FC(F)(F)C1=NC2=C(C=C(Cl)C=C2N1)C(F)(F)F"	"FC(F)(F)C1NC2=CC(Cl)=CC(=C2N=1)C(F)(F)F"	"?"	"InChI=1S/C9H3ClF6N2/c10-3-1-4(8(11,12)13)6-5(2-3)17-7(18-6)9(14,15)16/h1-2H,(H,17,18)"	"JUWDRLQORVCZOE-UHFFFAOYSA-N"	"1.661"	"1"	"1"	"TRUE"	"FALSE"
"1683"	"67696-82-6"			"Public_CrossChecked"	"CC(C)=CC(=O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@H](CC[C@]4(O)[C@@H]3CC[C@]2(O)C1)c1ccc(=O)oc1"	"CC12CCC3C(CCC4(O)CC(CCC43C=O)OC(=O)C=C(C)C)C1(O)CCC2c1coc(=O)cc1"	"?"	"InChI=1S/C29H38O7/c1-18(2)14-25(32)36-20-6-11-27(17-30)22-7-10-26(3)21(19-4-5-24(31)35-16-19)9-13-29(26,34)23(22)8-12-28(27,33)15-20/h4-5,14,16-17,20-23,33-34H,6-13,15H2,1-3H3"	"RIOSSPWEPWYRLD-UHFFFAOYSA-N"	"1.74"	"1"	"1"	"TRUE"	"FALSE"
"1684"	"71108-13-9"			"Public_CrossChecked"	"CNC(=O)ON=C1SC(SC1(C)C)=NN(C)C"	"CNC(=O)ON=C1SC(=NN(C)C)SC1(C)C"	"?"	"InChI=1S/C9H16N4O2S2/c1-9(2)6(12-15-7(14)10-3)16-8(17-9)11-13(4)5/h1-5H3,(H,10,14)"	"VSLVNJZVFZGJAD-UHFFFAOYSA-N"	"1.8"	"1"	"1"	"TRUE"	"FALSE"
"1685"	"89426-97-1"	"DTXSID20237659"	"Benzimidazole, 4-chloro-6-fluoro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC1=CC2=C(N=C(N2)C(F)(F)F)C(Cl)=C1"	"FC1C=C(Cl)C2N=C(NC=2C=1)C(F)(F)F"	"?"	"InChI=1S/C8H3ClF4N2/c9-4-1-3(10)2-5-6(4)15-7(14-5)8(11,12)13/h1-2H,(H,14,15)"	"BGXMIJJBIRSJKL-UHFFFAOYSA-N"	"1.984"	"1"	"1"	"TRUE"	"FALSE"
"1686"	"2496-92-6"	"DTXSID7042229"	"O,O-diethyl S-[2-(ethylsulfinyl)-ethyl]phosphorothioate"	"EPA_DSSTox"	"CCOP(=O)(OCC)SCCS(=O)CC"	"CCS(=O)CCSP(=O)(OCC)OCC"	"?"	"InChI=1S/C8H19O4PS2/c1-4-11-13(9,12-5-2)14-7-8-15(10)6-3/h4-8H2,1-3H3"	"RWRHZQVSYSDUSM-UHFFFAOYSA-N"	"2.0"	"1"	"1"	"TRUE"	"FALSE"
"1687"	"50708-20-8"			"Public_CrossChecked"	"CCOP(=O)(OCC)OC(CC(=O)OC)=CC(=O)OC"	"COC(=O)CC(=CC(=O)OC)OP(=O)(OCC)OCC"	"?"	"InChI=1S/C11H19O8P/c1-5-17-20(14,18-6-2)19-9(7-10(12)15-3)8-11(13)16-4/h7H,5-6,8H2,1-4H3"	"YGFYXQXOXCSYJW-UHFFFAOYSA-N"	"2.0"	"1"	"1"	"TRUE"	"FALSE"
"1688"	"66-81-9"	"DTXSID6024882"	"Cycloheximide"	"EPA_DSSTox"	"C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)NC(=O)C1"	"CC1CC(C(O)CC2CC(=O)NC(=O)C2)C(=O)C(C)C1"	"?"	"InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)"	"YPHMISFOHDHNIV-UHFFFAOYSA-N"	"2.0"	"1"	"1"	"TRUE"	"FALSE"
"1689"	"1438-16-0"	"DTXSID7061691"	"4-Thiazolidinone, 3-amino-2-thioxo-"	"EPA_DSSTox"	"NN1C(=O)CSC1=S"	"NN1C(=O)CSC1=S"	"?"	"InChI=1S/C3H4N2OS2/c4-5-2(6)1-8-3(5)7/h1,4H2"	"ZBUUHLDYMKTVLT-UHFFFAOYSA-N"	"2.21"	"1"	"1"	"TRUE"	"FALSE"
"1690"	"4394-04-1"	"DTXSID3045693"	"Metanixin"	"EPA_DSSTox"	"CC1=CC=CC(C)=C1NC1=NC=CC=C1C(O)=O"	"CC1C=CC=C(C)C=1NC1=NC=CC=C1C(O)=O"	"?"	"InChI=1S/C14H14N2O2/c1-9-5-3-6-10(2)12(9)16-13-11(14(17)18)7-4-8-15-13/h3-8H,1-2H3,(H,15,16)(H,17,18)"	"HUIJQYKRBFBVAO-UHFFFAOYSA-N"	"2.3"	"1"	"1"	"TRUE"	"FALSE"
"1691"	"89427-07-6"	"DTXSID70237669"	"Benzimidazole-6-carbonitrile, 4-chloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1=NC2=C(N1)C=C(C=C2Cl)C#N"	"N#CC1C=C(Cl)C2N=C(NC=2C=1)C(F)(F)F"	"?"	"InChI=1S/C9H3ClF3N3/c10-5-1-4(3-14)2-6-7(5)16-8(15-6)9(11,12)13/h1-2H,(H,15,16)"	"IRFXRRYWNCENBO-UHFFFAOYSA-N"	"2.4"	"1"	"1"	"TRUE"	"FALSE"
"1692"	"31333-64-9"	"DTXSID9073468"	"Phosphorodithioic acid, O,O-diethyl S-[2-(methylthio)-1-propenyl] ester"	"EPA_DSSTox"	"CCOP(=S)(OCC)SC=C(C)SC"	"CSC(C)=CSP(=S)(OCC)OCC"	"?"	"InChI=1S/C8H17O2PS3/c1-5-9-11(12,10-6-2)14-7-8(3)13-4/h7H,5-6H2,1-4H3"	"OODROCAKQYOGSX-UHFFFAOYSA-N"	"2.5"	"1"	"1"	"TRUE"	"FALSE"
"1693"	"60244-55-5"	"DTXSID40208987"	"Phosphorothioic acid, O-(1,6-dihydro-5-methoxy-1-methyl-6-oxo-4-pyridazinyl) O,O-dimethyl ester"	"EPA_DSSTox"	"COC1=C(OP(=S)(OC)OC)C=NN(C)C1=O"	"CN1N=CC(OP(=S)(OC)OC)=C(OC)C1=O"	"?"	"InChI=1S/C8H13N2O5PS/c1-10-8(11)7(12-2)6(5-9-10)15-16(17,13-3)14-4/h5H,1-4H3"	"KDLATEWVDUMIOW-UHFFFAOYSA-N"	"2.5"	"1"	"1"	"TRUE"	"FALSE"
"1694"	"72-00-4"	"DTXSID8075170"	"Phosphoric acid, 2,2-dichloroethenyl diethyl ester"	"EPA_DSSTox"	"CCOP(=O)(OCC)OC=C(Cl)Cl"	"CCOP(=O)(OC=C(Cl)Cl)OCC"	"?"	"InChI=1S/C6H11Cl2O4P/c1-3-10-13(9,11-4-2)12-5-6(7)8/h5H,3-4H2,1-2H3"	"BVZSTBILYMMKCG-UHFFFAOYSA-N"	"2.5"	"1"	"1"	"TRUE"	"FALSE"
"1695"	"89427-16-7"	"DTXSID60237678"	"Benzimidazole, 6-bromo-4,5-dichloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1=NC2=C(Cl)C(Cl)=C(Br)C=C2N1"	"FC(F)(F)C1NC2=CC(Br)=C(Cl)C(Cl)=C2N=1"	"?"	"InChI=1S/C8H2BrCl2F3N2/c9-2-1-3-6(5(11)4(2)10)16-7(15-3)8(12,13)14/h1H,(H,15,16)"	"AVFXGPGKCKKMBB-UHFFFAOYSA-N"	"2.777"	"1"	"1"	"TRUE"	"FALSE"
"1696"	"89427-30-5"	"DTXSID10237688"	"Benzimidazole, 5-methoxy-4,6,7-trifluoro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"COC1=C(F)C2=C(NC(=N2)C(F)(F)F)C(F)=C1F"	"COC1C(F)=C(F)C2NC(=NC=2C=1F)C(F)(F)F"	"?"	"InChI=1S/C9H4F6N2O/c1-18-7-3(11)2(10)5-6(4(7)12)17-8(16-5)9(13,14)15/h1H3,(H,16,17)"	"FNWIOHZZRITDOF-UHFFFAOYSA-N"	"2.894"	"1"	"1"	"TRUE"	"FALSE"
"1697"	"1085-34-3"			"Public_CrossChecked"	"CCCOP(C)(=S)Oc1ccc(cc1)[N+]([O-])=O"	"CCCOP(C)(=S)OC1=CC=C(C=C1)[N+]([O-])=O"	"?"	"InChI=1S/C10H14NO4PS/c1-3-8-14-16(2,17)15-10-6-4-9(5-7-10)11(12)13/h4-7H,3,8H2,1-2H3"	"CUONSTMEQBVTLL-UHFFFAOYSA-N"	"3.0"	"1"	"1"	"TRUE"	"FALSE"
"1698"	"3734-97-2"	"DTXSID9041601"	"Amiton oxalate"	"EPA_DSSTox"	"OC(=O)C(O)=O.CCOP(=O)(OCC)SCCN(CC)CC"	"CCN(CCSP(=O)(OCC)OCC)CC"	"C(C(=O)O)(=O)O"	"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"	"3.0"	"1"	"1"	"TRUE"	"FALSE"
"1699"	"6552-19-8"			"Public_CrossChecked"	"COP(C)(=S)Oc1ccc(c(C)c1)S(C)=O"	"CC1C=C(C=CC=1S(C)=O)OP(C)(=S)OC"	"?"	"InChI=1S/C10H15O3PS2/c1-8-7-9(13-14(3,15)12-2)5-6-10(8)16(4)11/h5-7H,1-4H3"	"DHPHGWYFHFFKAH-UHFFFAOYSA-N"	"3.0"	"1"	"1"	"TRUE"	"FALSE"
"1700"	"2984-64-7"			"Public_CrossChecked"	"CCOP(=S)(CC)Sc1ccc(Cl)cc1"	"CCP(=S)(OCC)SC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C10H14ClOPS2/c1-3-12-13(14,4-2)15-10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3"	"ABDPTAUFTLYLPR-UHFFFAOYSA-N"	"3.23"	"1"	"1"	"TRUE"	"FALSE"
"1701"	"58259-60-2"			"Public_CrossChecked"	"COP(C)(=O)SC"	"COP(C)(=O)SC"	"?"	"InChI=1S/C3H9O2PS/c1-5-6(2,4)7-3/h1-3H3"	"XXJOBAQYIIOHIP-UHFFFAOYSA-N"	"3.3"	"1"	"1"	"TRUE"	"FALSE"
"1702"	"90220-18-1"			"Public_CrossChecked"	"CCCCOP(=O)(CC)SC"	"CCCCOP(=O)(CC)SC"	"?"	"InChI=1S/C7H17O2PS/c1-4-6-7-9-10(8,5-2)11-3/h4-7H2,1-3H3"	"FZJVVHXAMDUDCB-UHFFFAOYSA-N"	"3.4"	"1"	"1"	"TRUE"	"FALSE"
"1703"	"89427-34-9"	"DTXSID00237692"	"Benzimidazole, 6,7-dibromo-4,5-dichloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1=NC2=C(N1)C(Br)=C(Br)C(Cl)=C2Cl"	"FC(F)(F)C1NC2=C(N=1)C(Cl)=C(Cl)C(Br)=C2Br"	"?"	"InChI=1S/C8HBr2Cl2F3N2/c9-1-2(10)5-6(4(12)3(1)11)17-7(16-5)8(13,14)15/h(H,16,17)"	"DOLFLKHOXRDYEZ-UHFFFAOYSA-N"	"3.434"	"1"	"1"	"TRUE"	"FALSE"
"1704"	"51356-05-9"	"DTXSID50199352"	"Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-3(2H)-pyridazinone"	"EPA_DSSTox"	"COP(=S)(OC)SCN1N=CC=CC1=O"	"COP(=S)(OC)SCN1N=CC=CC1=O"	"?"	"InChI=1S/C7H11N2O3PS2/c1-11-13(14,12-2)15-6-9-7(10)4-3-5-8-9/h3-5H,6H2,1-2H3"	"RLGBRCXTWVJQHJ-UHFFFAOYSA-N"	"3.5"	"1"	"1"	"TRUE"	"FALSE"
"1705"	"66-75-1"	"DTXSID8026270"	"Uracil mustard"	"EPA_DSSTox"	"ClCCN(CCCl)C1=CNC(=O)NC1=O"	"O=C1NC=C(C(=O)N1)N(CCCl)CCCl"	"?"	"InChI=1S/C8H11Cl2N3O2/c9-1-3-13(4-2-10)6-5-11-8(15)12-7(6)14/h5H,1-4H2,(H2,11,12,14,15)"	"IDPUKCWIGUEADI-UHFFFAOYSA-N"	"3.55"	"1"	"1"	"TRUE"	"FALSE"
"1706"	"77-81-6"	"DTXSID80861631"	"Tabun"	"EPA_DSSTox"	"CCOP(=O)(C#N)N(C)C"	"CCOP(=O)(C#N)N(C)C"	"?"	"InChI=1S/C5H11N2O2P/c1-4-9-10(8,5-6)7(2)3/h4H2,1-3H3"	"PJVJTCIRVMBVIA-UHFFFAOYSA-N"	"3.7"	"1"	"1"	"TRUE"	"FALSE"
"1707"	"90220-17-0"			"Public_CrossChecked"	"CCCOP(=O)(CC)SC"	"CCP(=O)(OCCC)SC"	"?"	"InChI=1S/C6H15O2PS/c1-4-6-8-9(7,5-2)10-3/h4-6H2,1-3H3"	"DNXGLDFHWXLWFN-UHFFFAOYSA-N"	"3.9"	"1"	"1"	"TRUE"	"FALSE"
"1708"	"23255-69-8"	"DTXSID1020649"	"Fusarenon-X"	"EPA_DSSTox"	"CC(=O)O[C@@H]1[C@@H](O)C2OC3C=C(C)C(=O)C(O)[C@@]3(CO)[C@]1(C)[C@]21CO1"	"CC12C(OC(C)=O)C(O)C(OC3C=C(C)C(=O)C(O)C13CO)C12CO1"	"?"	"InChI=1S/C17H22O8/c1-7-4-9-16(5-18,12(22)10(7)20)15(3)13(24-8(2)19)11(21)14(25-9)17(15)6-23-17/h4,9,11-14,18,21-22H,5-6H2,1-3H3"	"XGCUCFKWVIWWNW-UHFFFAOYSA-N"	"4.0"	"1"	"1"	"TRUE"	"FALSE"
"1709"	"3270-86-8"	"DTXSID80186371"	"Phosphorothioic acid, O,O-diethyl S-(p-nitrophenyl) ester"	"EPA_DSSTox"	"CCOP(=O)(OCC)SC1=CC=C(C=C1)[N+]([O-])=O"	"CCOP(=O)(OCC)SC1C=CC(=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C10H14NO5PS/c1-3-15-17(14,16-4-2)18-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3"	"DSVCXDBXXBVSEB-UHFFFAOYSA-N"	"4.41"	"1"	"1"	"TRUE"	"FALSE"
"1710"	"57-47-6"	"DTXSID3023471"	"Physostigmine"	"EPA_DSSTox"	"CNC(=O)OC1=CC2=C(C=C1)N(C)[C@H]1N(C)CC[C@@]21C"	"CN1CCC2(C)C1N(C)C1C=CC(=CC2=1)OC(=O)NC"	"?"	"InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)"	"PIJVFDBKTWXHHD-UHFFFAOYSA-N"	"4.5"	"1"	"1"	"TRUE"	"FALSE"
"1711"	"2511-12-8"			"Public_CrossChecked"	"CCOP(=O)(CC)SC"	"CSP(=O)(CC)OCC"	"?"	"InChI=1S/C5H13O2PS/c1-4-7-8(6,5-2)9-3/h4-5H2,1-3H3"	"VGMFDXWIGFLSBM-UHFFFAOYSA-N"	"4.6"	"1"	"1"	"TRUE"	"FALSE"
"1712"	"89427-08-7"	"DTXSID80237670"	"Benzimidazole-4-carbonitrile, 6-chloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1=NC2=C(C=C(Cl)C=C2N1)C#N"	"N#CC1C=C(Cl)C=C2NC(=NC=12)C(F)(F)F"	"?"	"InChI=1S/C9H3ClF3N3/c10-5-1-4(3-14)7-6(2-5)15-8(16-7)9(11,12)13/h1-2H,(H,15,16)"	"DUUONMUYQRZUOH-UHFFFAOYSA-N"	"4.788"	"1"	"1"	"TRUE"	"FALSE"
"1713"	"10311-84-9"	"DTXSID0037522"	"Dialifor"	"EPA_DSSTox"	"CCOP(=S)(OCC)SC(CCl)N1C(=O)C2=C(C=CC=C2)C1=O"	"CCOP(=S)(OCC)SC(CCl)N1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C14H17ClNO4PS2/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"	"MUMQYXACQUZOFP-UHFFFAOYSA-N"	"5.0"	"1"	"2"	"TRUE"	"FALSE"
"1714"	"20362-98-5"	"DTXSID90174289"	"Phosphoric acid, 3-chloro-4-nitrophenyl diethyl ester"	"EPA_DSSTox"	"CCOP(=O)(OCC)OC1=CC(Cl)=C(C=C1)[N+]([O-])=O"	"CCOP(=O)(OC1C=C(Cl)C(=CC=1)[N+]([O-])=O)OCC"	"?"	"InChI=1S/C10H13ClNO6P/c1-3-16-19(15,17-4-2)18-8-5-6-10(12(13)14)9(11)7-8/h5-7H,3-4H2,1-2H3"	"KYXXDAVAUNRJME-UHFFFAOYSA-N"	"5.0"	"1"	"2"	"TRUE"	"FALSE"
"1715"	"3568-51-2"			"Public_CrossChecked"	"CCOP(=O)(OCCCl)OC=C(Cl)Cl"	"CCOP(=O)(OCCCl)OC=C(Cl)Cl"	"?"	"InChI=1S/C6H10Cl3O4P/c1-2-11-14(10,12-4-3-7)13-5-6(8)9/h5H,2-4H2,1H3"	"MXFVWCLDTWOWKM-UHFFFAOYSA-N"	"5.0"	"1"	"2"	"TRUE"	"FALSE"
"1716"	"41219-25-4"			"Public_CrossChecked"	"COP(=S)(OC)SC1CCSc2ccccc12"	"COP(=S)(OC)SC1CCSC2=CC=CC=C21"	"?"	"InChI=1S/C11H15O2PS3/c1-12-14(15,13-2)17-11-7-8-16-10-6-4-3-5-9(10)11/h3-6,11H,7-8H2,1-2H3"	"MZRQXRJEBTWYFB-UHFFFAOYSA-N"	"5.0"	"1"	"2"	"TRUE"	"FALSE"
"1717"	"55-91-4"	"DTXSID1040667"	"Diisopropyl fluorophosphate"	"EPA_DSSTox"	"CC(C)OP(F)(=O)OC(C)C"	"CC(C)OP(=O)(F)OC(C)C"	"?"	"InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3"	"MUCZHBLJLSDCSD-UHFFFAOYSA-N"	"5.0"	"1"	"2"	"TRUE"	"FALSE"
"1718"	"762-49-2"	"DTXSID6073233"	"Ethane, 1-bromo-2-fluoro-"	"EPA_DSSTox"	"FCCBr"	"FCCBr"	"?"	"InChI=1S/C2H4BrF/c3-1-2-4/h1-2H2"	"JTLAIKFGRHDNQM-UHFFFAOYSA-N"	"5.0"	"1"	"2"	"TRUE"	"FALSE"
"1719"	"59379-68-9"			"Public_CrossChecked"	"CNC(=O)ON=C1CSC(C)CS1"	"CC1CSC(CS1)=NOC(=O)NC"	"?"	"InChI=1S/C7H12N2O2S2/c1-5-3-13-6(4-12-5)9-11-7(10)8-2/h5H,3-4H2,1-2H3,(H,8,10)"	"UDVRVYITEYEGRJ-UHFFFAOYSA-N"	"5.1"	"1"	"2"	"TRUE"	"FALSE"
"1720"	"85828-81-5"	"DTXSID50235108"	"Benzeneacetic acid, 3,5-diiodo-4-(4-hydroxy-3-(1-methylethyl)phenoxy)-"	"EPA_DSSTox"	"CC(C)C1=C(O)C=CC(OC2=C(I)C=C(CC(O)=O)C=C2I)=C1"	"CC(C)C1=CC(=CC=C1O)OC1C(I)=CC(CC(O)=O)=CC=1I"	"?"	"InChI=1S/C17H16I2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)"	"KSZBMSJSJFZGRF-UHFFFAOYSA-N"	"5.4"	"1"	"2"	"TRUE"	"FALSE"
"1721"	"76858-53-2"	"DTXSID10227665"	"1,3-Dithiolan-2-one, O-((((1,1-dimethylethyl)dithio)methylamino)carbonyl)oxime"	"EPA_DSSTox"	"CN(SSC(C)(C)C)C(=O)ON=C1SCCS1"	"CN(SSC(C)(C)C)C(=O)ON=C1SCCS1"	"?"	"InChI=1S/C9H16N2O2S4/c1-9(2,3)16-17-11(4)8(12)13-10-7-14-5-6-15-7/h5-6H2,1-4H3"	"VJMCDMPLTRMFMA-UHFFFAOYSA-N"	"5.6"	"1"	"2"	"TRUE"	"FALSE"
"1722"	"70374-39-9"	"DTXSID6046133"	"Lornoxicam"	"EPA_DSSTox"	"CN1C(C(=O)NC2=CC=CC=N2)C(=O)C2=C(C=C(Cl)S2)S1(=O)=O"	"CN1C(C(=O)NC2=CC=CC=N2)C(=O)C2SC(Cl)=CC=2S1(=O)=O"	"?"	"InChI=1S/C13H10ClN3O4S2/c1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12/h2-6,10H,1H3,(H,15,16,19)"	"QOFQTBTZCJVITI-UHFFFAOYSA-N"	"5.73"	"1"	"2"	"TRUE"	"FALSE"
"1723"	"302-27-2"	"DTXSID4046319"	"Aconitine"	"EPA_DSSTox"	"CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4C1[C@@]3([C@@H]1C[C@@]3(O)[C@H](OC(=O)C5=CC=CC=C5)[C@@H]1[C@]4(OC(C)=O)[C@@H](O)[C@@H]3OC)[C@H](C[C@H]2O)OC"	"CC(=O)OC12C3C(OC(=O)C4C=CC=CC=4)C(O)(CC3C34C5C(OC)C1C3N(CC5(COC)C(O)CC4OC)CC)C(OC)C2O"	"?"	"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3"	"XFSBVAOIAHNAPC-UHFFFAOYSA-N"	"5.97"	"1"	"2"	"TRUE"	"FALSE"
"1724"	"2511-10-6"	"DTXSID40870981"	"Phosphonothioic acid, P-methyl-, O,S-diethyl ester"	"EPA_DSSTox"	"CCOP(C)(=O)SCC"	"CP(=O)(OCC)SCC"	"?"	"InChI=1S/C5H13O2PS/c1-4-7-8(3,6)9-5-2/h4-5H2,1-3H3"	"AIMOGGQLCCAPQJ-UHFFFAOYSA-N"	"6.0"	"1"	"2"	"TRUE"	"FALSE"
"1725"	"63907-08-4"			"Public_CrossChecked"	"Cl.OC(C1=CC2C3C(C1C2=C(c1ccccc1)c1ccccn1)C(=O)NC3=O)(c1ccccc1)c1ccccn1"	"OC(C1=CC2C3C(C1C2=C(C1C=CC=CN=1)C1C=CC=CC=1)C(=O)NC3=O)(C1C=CC=CN=1)C1C=CC=CC=1"	"Cl"	"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"	"6.0"	"1"	"2"	"TRUE"	"FALSE"
"1726"	"71108-04-8"			"Public_CrossChecked"	"CCN=C1SC(=NOC(=O)NC)C(C)(C)S1"	"CCN=C1SC(C)(C)C(=NOC(=O)NC)S1"	"?"	"InChI=1S/C9H15N3O2S2/c1-5-11-8-15-6(9(2,3)16-8)12-14-7(13)10-4/h5H2,1-4H3,(H,10,13)"	"ICEKSQYUFFHBHE-UHFFFAOYSA-N"	"6.3"	"1"	"2"	"TRUE"	"FALSE"
"1727"	"89457-10-3"	"DTXSID70237725"	"Benzimidazole, 6-bromo-4-chloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1=NC2=C(N1)C=C(Br)C=C2Cl"	"FC(F)(F)C1NC2=CC(Br)=CC(Cl)=C2N=1"	"?"	"InChI=1S/C8H3BrClF3N2/c9-3-1-4(10)6-5(2-3)14-7(15-6)8(11,12)13/h1-2H,(H,14,15)"	"GQUMVBCXDLOULU-UHFFFAOYSA-N"	"6.402"	"1"	"2"	"TRUE"	"FALSE"
"1728"	"4104-02-3"	"DTXSID80194012"	"Phosphorodithioic acid, O-methyl S,S-dipropyl ester"	"EPA_DSSTox"	"CCCSP(=O)(OC)SCCC"	"COP(=O)(SCCC)SCCC"	"?"	"InChI=1S/C7H17O2PS2/c1-4-6-11-10(8,9-3)12-7-5-2/h4-7H2,1-3H3"	"FAGCJRZVMYZXSR-UHFFFAOYSA-N"	"6.8"	"1"	"2"	"TRUE"	"FALSE"
"1729"	"2642-71-9"	"DTXSID5037498"	"Azinphos-ethyl"	"EPA_DSSTox"	"CCOP(=S)(OCC)SCN1N=NC2=CC=CC=C2C1=O"	"CCOP(=S)(OCC)SCN1N=NC2C=CC=CC=2C1=O"	"?"	"InChI=1S/C12H16N3O3PS2/c1-3-17-19(20,18-4-2)21-9-15-12(16)10-7-5-6-8-11(10)13-14-15/h5-8H,3-4,9H2,1-2H3"	"RQVGAIADHNPSME-UHFFFAOYSA-N"	"7.0"	"1"	"2"	"TRUE"	"FALSE"
"1730"	"404-40-0"	"DTXSID40193400"	"p-Acetotoluidide, 2-fluoro-"	"EPA_DSSTox"	"CC1=CC=C(NC(=O)CF)C=C1"	"CC1=CC=C(C=C1)NC(=O)CF"	"?"	"InChI=1S/C9H10FNO/c1-7-2-4-8(5-3-7)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)"	"CXRLWHTUHOEMLE-UHFFFAOYSA-N"	"7.0"	"1"	"2"	"TRUE"	"FALSE"
"1731"	"24017-20-7"			"Public_CrossChecked"	"CCP(=S)(OC)SCN1C(=O)c2ccccc2C1=O"	"CCP(=S)(OC)SCN1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C12H14NO3PS2/c1-3-17(18,16-2)19-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,3,8H2,1-2H3"	"YBKYDCKBUSWFIS-UHFFFAOYSA-N"	"7.1"	"1"	"2"	"TRUE"	"FALSE"
"1732"	"50-76-0"	"DTXSID9020031"	"Actinomycin D"	"EPA_DSSTox"	"[H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)C1=C3N=C4C(OC3=C(C)C=C1)=C(C)C(=O)C(N)=C4C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]3([H])CCCN3C(=O)[C@H](NC1=O)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C"	"CC1C=CC(=C2N=C3C(=C(N)C(=O)C(C)=C3OC=12)C(=O)NC1C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C2CCCN2C(=O)C(NC1=O)C(C)C)C(=O)NC1C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C2CCCN2C(=O)C(NC1=O)C(C)C"	"?"	"InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)"	"RJURFGZVJUQBHK-UHFFFAOYSA-N"	"7.2"	"1"	"2"	"TRUE"	"FALSE"
"1733"	"100242-41-9"			"Public_CrossChecked"	"CO[C@H]1CC[C@H](O[C@@H]2C[C@]3(C[C@H](O)[C@@H](C)[C@H](O3)[C@@H](C)C=C(C)C(=O)[C@H](C)C[C@H](C)C(O)=O)O[C@]2(C)[C@H]2CC[C@@H](C)C3(O[C@H](C[C@@H]3C)[C@@H]3O[C@](O)(CO)[C@@H](C)C[C@H]3C)O2)O[C@@H]1C"	"CC1(OC2(CC1OC1CCC(OC)C(C)O1)CC(O)C(C)C(O2)C(C)C=C(C)C(=O)C(C)CC(C)C(O)=O)C1CCC(C)C2(O1)OC(CC2C)C1OC(O)(CO)C(C)CC1C"	"?"	"InChI=1S/C47H78O14/c1-24(40(50)25(2)18-28(5)43(51)52)17-26(3)41-32(9)34(49)21-45(59-41)22-38(56-39-16-14-35(54-12)33(10)55-39)44(11,61-45)37-15-13-29(6)47(58-37)31(8)20-36(57-47)42-27(4)19-30(7)46(53,23-48)60-42/h17,25-39,41-42,48-49,53H,13-16,18-23H2,1-12H3,(H,51,52)"	"IXZQKHXEQYZXTP-UHFFFAOYSA-N"	"7.5"	"1"	"2"	"TRUE"	"FALSE"
"1734"	"123252-98-2"	"DTXSID50153914"	"Butanedioic acid, 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)CCC(=O)OC1=C(N(C)S(=O)(=O)C2=C1SC(Cl)=C2)C(=O)NC1=CC=CC=N1"	"COC(=O)CCC(=O)OC1C2SC(Cl)=CC=2S(=O)(=O)N(C)C=1C(=O)NC1C=CC=CN=1"	"?"	"InChI=1S/C18H16ClN3O7S2/c1-22-15(18(25)21-12-5-3-4-8-20-12)16(29-14(24)7-6-13(23)28-2)17-10(31(22,26)27)9-11(19)30-17/h3-5,8-9H,6-7H2,1-2H3,(H,20,21,25)"	"LNHOLXKFXQSWDT-UHFFFAOYSA-N"	"7.51"	"1"	"2"	"TRUE"	"FALSE"
"1735"	"139087-70-0"	"DTXSID40160899"	"Dicyclopropyloketoxime diethylphosphoric acid ester"	"EPA_DSSTox"	"CCOP(=O)(OCC)ON=C(C1CC1)C1CC1"	"CCOP(=O)(ON=C(C1CC1)C1CC1)OCC"	"?"	"InChI=1S/C11H20NO4P/c1-3-14-17(13,15-4-2)16-12-11(9-5-6-9)10-7-8-10/h9-10H,3-8H2,1-2H3"	"NHURCWNOSBBLTG-UHFFFAOYSA-N"	"7.85"	"1"	"2"	"TRUE"	"FALSE"
"1736"	"106231-34-9"			"Public_CrossChecked"	"CCC1OC(C)C(S1)=NOC(=O)NC"	"CC1OC(CC)SC1=NOC(=O)NC"	"?"	"InChI=1S/C8H14N2O3S/c1-4-6-12-5(2)7(14-6)10-13-8(11)9-3/h5-6H,4H2,1-3H3,(H,9,11)"	"WNZYUVSDESQQME-UHFFFAOYSA-N"	"8.0"	"1"	"2"	"TRUE"	"FALSE"
"1737"	"89427-18-9"	"DTXSID30237680"	"Benzimidazole, 4,6-dichloro-5-methoxy-2-(trifluoromethyl)-"	"EPA_DSSTox"	"COC1=C(Cl)C=C2NC(=NC2=C1Cl)C(F)(F)F"	"COC1C(Cl)=CC2NC(=NC=2C=1Cl)C(F)(F)F"	"?"	"InChI=1S/C9H5Cl2F3N2O/c1-17-7-3(10)2-4-6(5(7)11)16-8(15-4)9(12,13)14/h2H,1H3,(H,15,16)"	"YOGWZFUBEGNQLT-UHFFFAOYSA-N"	"8.033"	"1"	"2"	"TRUE"	"FALSE"
"1738"	"14689-60-2"	"DTXSID90163537"	"Benzimidazole, 6-chloro-4,5,7-tribromo-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1=NC2=C(N1)C(Br)=C(Cl)C(Br)=C2Br"	"FC(F)(F)C1NC2C(N=1)=C(Br)C(Br)=C(Cl)C=2Br"	"?"	"InChI=1S/C8HBr3ClF3N2/c9-1-2(10)5-6(3(11)4(1)12)17-7(16-5)8(13,14)15/h(H,16,17)"	"CHZJVQDAPMZVIA-UHFFFAOYSA-N"	"8.321"	"1"	"2"	"TRUE"	"FALSE"
"1739"	"3772-51-8"			"Public_CrossChecked"	"CCOP(=S)(OCC)SCSCSP(=S)(OCC)OCC"	"CCOP(=S)(OCC)SCSCSP(=S)(OCC)OCC"	"?"	"InChI=1S/C10H24O4P2S5/c1-5-11-15(17,12-6-2)20-9-19-10-21-16(18,13-7-3)14-8-4/h5-10H2,1-4H3"	"XAPFNRDTCIXDLS-UHFFFAOYSA-N"	"8.5"	"1"	"2"	"TRUE"	"FALSE"
"1740"	"129-06-6"	"DTXSID7035010"	"Sodium warfarin"	"EPA_DSSTox"	"[Na+].CC(=O)CC(C1=CC=CC=C1)C1=C([O-])C2=CC=CC=C2OC1=O"	"CC(=O)CC(C1=C(O)C2=CC=CC=C2OC1=O)C1C=CC=CC=1"	"[Na+]"	"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"	"8.7"	"1"	"2"	"TRUE"	"FALSE"
"1741"	"947-02-4"	"DTXSID1042285"	"Phosfolan"	"EPA_DSSTox"	"CCOP(=O)(OCC)N=C1SCCS1"	"CCOP(=O)(N=C1SCCS1)OCC"	"?"	"InChI=1S/C7H14NO3PS2/c1-3-10-12(9,11-4-2)8-7-13-5-6-14-7/h3-6H2,1-2H3"	"ILBONRFSLATCRE-UHFFFAOYSA-N"	"8.9"	"1"	"2"	"TRUE"	"FALSE"
"1742"	"4799-59-1"	"DTXSID80876982"	"O,O-DIET-O-(3-ME-4-SMEPH)P=O"	"EPA_DSSTox"	"CCOP(=O)(OCC)OC1=CC=C(SC)C(C)=C1"	"CC1=CC(=CC=C1SC)OP(=O)(OCC)OCC"	"?"	"InChI=1S/C12H19O4PS/c1-5-14-17(13,15-6-2)16-11-7-8-12(18-4)10(3)9-11/h7-9H,5-6H2,1-4H3"	"UAOUVRJFXPPTHR-UHFFFAOYSA-N"	"9.0"	"1"	"2"	"TRUE"	"FALSE"
"1743"	"2343-36-4"	"DTXSID00177983"	"Faniline"	"EPA_DSSTox"	"FCC(=O)NNC1=CC=CC=C1"	"O=C(CF)NNC1C=CC=CC=1"	"?"	"InChI=1S/C8H9FN2O/c9-6-8(12)11-10-7-4-2-1-3-5-7/h1-5,10H,6H2,(H,11,12)"	"SNFXTZXIXWPTLF-UHFFFAOYSA-N"	"9.1"	"1"	"2"	"TRUE"	"FALSE"
"1744"	"76936-70-4"	"DTXSID10227721"	"Phosphorothioic acid, O,O-dimethyl S-propyl ester"	"EPA_DSSTox"	"CCCSP(=O)(OC)OC"	"CCCSP(=O)(OC)OC"	"?"	"InChI=1S/C5H13O3PS/c1-4-5-10-9(6,7-2)8-3/h4-5H2,1-3H3"	"CSKHPKBIXZSVJO-UHFFFAOYSA-N"	"9.4"	"1"	"2"	"TRUE"	"FALSE"
"1745"	"4228-91-5"	"DTXSID60195108"	"Benzimidazole, 4-chloro-6-nitro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC2=C(N=C(N2)C(F)(F)F)C(Cl)=C1"	"[O-][N+](=O)C1C=C2NC(=NC2=C(Cl)C=1)C(F)(F)F"	"?"	"InChI=1S/C8H3ClF3N3O2/c9-4-1-3(15(16)17)2-5-6(4)14-7(13-5)8(10,11)12/h1-2H,(H,13,14)"	"HNDQGIJHWSTKDW-UHFFFAOYSA-N"	"9.865"	"1"	"2"	"TRUE"	"FALSE"
"1746"	"110263-73-5"			"Public_CrossChecked"	"CCCCCCCCCOC(=O)C1=CNC=C(C1c1ccccc1[N+]([O-])=O)C(=O)NC1CCCC1"	"CCCCCCCCCOC(=O)C1=CN=CC(C1C1C=CC=CC=1[N+]([O-])=O)C(=O)NC1CCCC1"	"?"	"InChI=1S/C27H37N3O5/c1-2-3-4-5-6-7-12-17-35-27(32)23-19-28-18-22(26(31)29-20-13-8-9-14-20)25(23)21-15-10-11-16-24(21)30(33)34/h10-11,15-16,18-20,22,25H,2-9,12-14,17H2,1H3,(H,29,31)"	"OTCFAFDZOJPDIL-UHFFFAOYSA-N"	"10.0"	"1"	"2"	"TRUE"	"FALSE"
"1747"	"16537-51-2"			"Public_CrossChecked"	"CCP(=S)(OC(C)C)SCN1C(=O)c2ccccc2C1=O"	"CCP(=S)(OC(C)C)SCN1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C14H18NO3PS2/c1-4-19(20,18-10(2)3)21-9-15-13(16)11-7-5-6-8-12(11)14(15)17/h5-8,10H,4,9H2,1-3H3"	"XTPQVUHBEQVOSI-UHFFFAOYSA-N"	"10.0"	"1"	"2"	"TRUE"	"FALSE"
"1748"	"21595-58-4"	"DTXSID3073428"	"Ethaneselenoamide"	"EPA_DSSTox"	"CC(N)=[Se]"	"CC(N)=[Se]"	"?"	"InChI=1S/C2H5NSe/c1-2(3)4/h1H3,(H2,3,4)"	"UIPOHYGKYQWEEA-UHFFFAOYSA-N"	"10.0"	"1"	"2"	"TRUE"	"FALSE"
"1749"	"321-54-0"	"DTXSID1037513"	"Coumaphos oxon"	"EPA_DSSTox"	"CCOP(=O)(OCC)OC1=CC=C2C(C)=C(Cl)C(=O)OC2=C1"	"CC1C2C=CC(=CC=2OC(=O)C=1Cl)OP(=O)(OCC)OCC"	"?"	"InChI=1S/C14H16ClO6P/c1-4-18-22(17,19-5-2)21-10-6-7-11-9(3)13(15)14(16)20-12(11)8-10/h6-8H,4-5H2,1-3H3"	"FDYMERLIFOUIRZ-UHFFFAOYSA-N"	"10.0"	"1"	"2"	"TRUE"	"FALSE"
"1750"	"3572-55-2"			"Public_CrossChecked"	"COP(=S)(OC)N=C1SCCS1"	"COP(=S)(N=C1SCCS1)OC"	"?"	"InChI=1S/C5H10NO2PS3/c1-7-9(10,8-2)6-5-11-3-4-12-5/h3-4H2,1-2H3"	"QZWJVZLRTODWDH-UHFFFAOYSA-N"	"10.0"	"1"	"2"	"TRUE"	"FALSE"
"1751"	"51-75-2"	"DTXSID2020975"	"Nitrogen mustard"	"EPA_DSSTox"	"CN(CCCl)CCCl"	"CN(CCCl)CCCl"	"?"	"InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3"	"HAWPXGHAZFHHAD-UHFFFAOYSA-N"	"10.0"	"1"	"2"	"TRUE"	"FALSE"
"1752"	"54927-63-8"	"DTXSID70203440"	"Septamycin"	"EPA_DSSTox"	"CO[C@@H]1[C@@H](C)[C@]2(O[C@]1(C)C1CC[C@H](O1)[C@H]1CC[C@@H](O1)C1O[C@](C)(O)[C@H](C)C[C@@H]1C)O[C@H](C[C@@H]1O[C@](O)([C@@H](C)C(O)=O)[C@H](C)[C@H](OC)[C@@]1(C)O[C@H]1CC[C@H](OC)[C@@H](C)O1)C[C@@H](OC)[C@H]2C"	"CC1(O)OC(C2CCC(O2)C2CCC(O2)C2(C)OC3(OC(CC(OC)C3C)CC3OC(O)(C(C)C(O)=O)C(C)C(OC)C3(C)OC3CCC(OC)C(C)O3)C(C)C2OC)C(C)CC1C"	"?"	"InChI=1S/C48H82O16/c1-24-21-25(2)46(10,51)63-40(24)35-16-15-33(58-35)34-17-19-37(59-34)45(9)42(56-14)28(5)48(64-45)26(3)36(54-12)22-31(60-48)23-38-44(8,62-39-20-18-32(53-11)30(7)57-39)41(55-13)27(4)47(52,61-38)29(6)43(49)50/h24-42,51-52H,15-23H2,1-14H3,(H,49,50)"	"QZVSDERYSHAHPU-UHFFFAOYSA-N"	"10.0"	"1"	"2"	"TRUE"	"FALSE"
"1753"	"6596-74-3"	"DTXSID0064414"	"Acetic acid, 2-(4-aminophenyl)hydrazide"	"EPA_DSSTox"	"CC(=O)NNC1=CC=C(N)C=C1"	"CC(=O)NNC1C=CC(N)=CC=1"	"?"	"InChI=1S/C8H11N3O/c1-6(12)10-11-8-4-2-7(9)3-5-8/h2-5,11H,9H2,1H3,(H,10,12)"	"NWKVUHRVKAWGMO-UHFFFAOYSA-N"	"10.0"	"1"	"2"	"TRUE"	"FALSE"
"1754"	"60244-67-9"	"DTXSID30208991"	"Phosphorothioic acid, O,O-bis(1-methylethyl) O-(1,6-dihydro-5-methoxy-1-methyl-6-oxo-4-pyridazinyl) ester"	"EPA_DSSTox"	"COC1=C(OP(=S)(OC(C)C)OC(C)C)C=NN(C)C1=O"	"COC1C(=O)N(C)N=CC=1OP(=S)(OC(C)C)OC(C)C"	"?"	"InChI=1S/C12H21N2O5PS/c1-8(2)17-20(21,18-9(3)4)19-10-7-13-14(5)12(15)11(10)16-6/h7-9H,1-6H3"	"KKUYISHLFNPUJT-UHFFFAOYSA-N"	"10.5"	"1"	"2"	"TRUE"	"FALSE"
"1755"	"814-49-3"	"DTXSID4052556"	"Diethyl phosphorochloridate"	"EPA_DSSTox"	"CCOP(Cl)(=O)OCC"	"CCOP(=O)(Cl)OCC"	"?"	"InChI=1S/C4H10ClO3P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3"	"LGTLXDJOAJDFLR-UHFFFAOYSA-N"	"11.0"	"1"	"2"	"TRUE"	"FALSE"
"1756"	"88475-69-8"	"DTXSID2048585"	"Beraprost sodium"	"EPA_DSSTox"	"[Na+].CC#CCC(C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2OC3=C(CCCC([O-])=O)C=CC=C3[C@H]12"	"CC(CC#CC)C(O)C=CC1C2C(CC1O)OC1C(CCCC(O)=O)=CC=CC=12"	"[Na+]"	"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"	"11.6"	"1"	"2"	"TRUE"	"FALSE"
"1757"	"17702-63-5"	"DTXSID10170243"	"AI 3-27239"	"EPA_DSSTox"	"COP(=S)(NC(=S)N(C)CCO)OC"	"CN(CCO)C(=S)NP(=S)(OC)OC"	"?"	"InChI=1S/C6H15N2O3PS2/c1-8(4-5-9)6(13)7-12(14,10-2)11-3/h9H,4-5H2,1-3H3,(H,7,13,14)"	"HUSWYLCFUROMJM-UHFFFAOYSA-N"	"12.0"	"1"	"2"	"TRUE"	"FALSE"
"1758"	"59375-57-4"			"Public_CrossChecked"	"CNC(=O)ON=C1CS(=O)CCS1"	"CNC(=O)ON=C1CS(=O)CCS1"	"?"	"InChI=1S/C6H10N2O3S2/c1-7-6(9)11-8-5-4-13(10)3-2-12-5/h2-4H2,1H3,(H,7,9)"	"WMJAOBLEVKPJKZ-UHFFFAOYSA-N"	"12.3"	"1"	"2"	"TRUE"	"FALSE"
"1759"	"22756-17-8"			"Public_CrossChecked"	"CCOP(=O)(OCC)SCSP(=O)(OCC)OCC"	"CCOP(=O)(OCC)SCSP(=O)(OCC)OCC"	"?"	"InChI=1S/C9H22O6P2S2/c1-5-12-16(10,13-6-2)18-9-19-17(11,14-7-3)15-8-4/h5-9H2,1-4H3"	"SSEJHKWNPGJOSI-UHFFFAOYSA-N"	"12.75"	"1"	"2"	"TRUE"	"FALSE"
"1760"	"35944-85-5"			"Public_CrossChecked"	"OP(O)(=O)OC(=CCl)c1ccc(Cl)cc1Cl"	"OP(O)(=O)OC(=CCl)C1=CC=C(Cl)C=C1Cl"	"?"	"InChI=1S/C8H6Cl3O4P/c9-4-8(15-16(12,13)14)6-2-1-5(10)3-7(6)11/h1-4H,(H2,12,13,14)"	"JOHXIUZTDZVRJX-UHFFFAOYSA-N"	"13.0"	"1"	"2"	"TRUE"	"FALSE"
"1761"	"59375-65-4"			"Public_CrossChecked"	"CNC(=O)ON=C1CSCS1"	"CNC(=O)ON=C1CSCS1"	"?"	"InChI=1S/C5H8N2O2S2/c1-6-5(8)9-7-4-2-10-3-11-4/h2-3H2,1H3,(H,6,8)"	"FJNLLRZFYQFQHJ-UHFFFAOYSA-N"	"13.0"	"1"	"2"	"TRUE"	"FALSE"
"1762"	"3615-21-2"	"DTXSID0041773"	"Chlorflurazole"	"EPA_DSSTox"	"FC(F)(F)C1=NC2=C(N1)C=CC(Cl)=C2Cl"	"FC(F)(F)C1NC2C=CC(Cl)=C(Cl)C=2N=1"	"?"	"InChI=1S/C8H3Cl2F3N2/c9-3-1-2-4-6(5(3)10)15-7(14-4)8(11,12)13/h1-2H,(H,14,15)"	"KSROTSBULDYPKA-UHFFFAOYSA-N"	"13.08"	"1"	"2"	"TRUE"	"FALSE"
"1763"	"10080-80-5"			"Public_CrossChecked"	"CON(C)C(=O)CC(SP(=S)(OC)OC)C(=O)N(C)OC"	"CN(OC)C(=O)CC(SP(=S)(OC)OC)C(=O)N(C)OC"	"?"	"InChI=1S/C10H21N2O6PS2/c1-11(15-3)9(13)7-8(10(14)12(2)16-4)21-19(20,17-5)18-6/h8H,7H2,1-6H3"	"LNICFUYFCDFXLP-UHFFFAOYSA-N"	"14.0"	"1"	"2"	"TRUE"	"FALSE"
"1764"	"2740-04-7"	"DTXSID1046841"	"Dimefline hydrochloride"	"EPA_DSSTox"	"Cl.COC1=C(CN(C)C)C2=C(C=C1)C(=O)C(C)=C(O2)C1=CC=CC=C1"	"CC1C(=O)C2C=CC(OC)=C(CN(C)C)C=2OC=1C1C=CC=CC=1"	"Cl"	"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"	"14.0"	"1"	"2"	"TRUE"	"FALSE"
"1765"	"3862-21-3"			"Public_CrossChecked"	"COP(=O)(OC)OC(Cl)C(Cl)(Cl)Cl"	"COP(=O)(OC(Cl)C(Cl)(Cl)Cl)OC"	"?"	"InChI=1S/C4H7Cl4O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3"	"KWIDLTWZQJKRFD-UHFFFAOYSA-N"	"14.0"	"1"	"2"	"TRUE"	"FALSE"
"1766"	"65610-14-2"	"DTXSID6073601"	"1,2-Benzenedicarbonitrile, 4-fluoro-"	"EPA_DSSTox"	"FC1=CC(C#N)=C(C=C1)C#N"	"N#CC1C=CC(F)=CC=1C#N"	"?"	"InChI=1S/C8H3FN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H"	"QQEKYCCJLSRLEC-UHFFFAOYSA-N"	"14.0"	"1"	"2"	"TRUE"	"FALSE"
"1767"	"4205-99-6"	"DTXSID10194868"	"Benzimidazole, 5-nitro-4,6,7-trichloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"[O-][N+](=O)C1=C(Cl)C2=C(NC(=N2)C(F)(F)F)C(Cl)=C1Cl"	"[O-][N+](=O)C1C(Cl)=C2N=C(NC2=C(Cl)C=1Cl)C(F)(F)F"	"?"	"InChI=1S/C8HCl3F3N3O2/c9-1-2(10)6(17(18)19)3(11)5-4(1)15-7(16-5)8(12,13)14/h(H,15,16)"	"BRXRYLRPUIZHDY-UHFFFAOYSA-N"	"14.656"	"1"	"2"	"TRUE"	"FALSE"
"1768"	"106231-35-0"			"Public_CrossChecked"	"CCC1OC(C)SC1=NOC(=O)NC"	"CC1OC(CC)C(=NOC(=O)NC)S1"	"?"	"InChI=1S/C8H14N2O3S/c1-4-6-7(14-5(2)12-6)10-13-8(11)9-3/h5-6H,4H2,1-3H3,(H,9,11)"	"SLCIHOVGWDQBGH-UHFFFAOYSA-N"	"15.0"	"1"	"2"	"TRUE"	"FALSE"
"1769"	"1646-77-1"			"Public_CrossChecked"	"CNC(=O)ON=CC(C)(C)OC"	"COC(C)(C)C=NOC(=O)NC"	"?"	"InChI=1S/C7H14N2O3/c1-7(2,11-4)5-9-12-6(10)8-3/h5H,1-4H3,(H,8,10)"	"GADFBWUKVIMHSB-UHFFFAOYSA-N"	"15.0"	"1"	"2"	"TRUE"	"FALSE"
"1770"	"4186-17-8"	"DTXSID40194654"	"ENT 27152"	"EPA_DSSTox"	"CCOP(=O)(OCC)SCC(C)(SCC)SCC"	"CC(CSP(=O)(OCC)OCC)(SCC)SCC"	"?"	"InChI=1S/C11H25O3PS3/c1-6-13-15(12,14-7-2)18-10-11(5,16-8-3)17-9-4/h6-10H2,1-5H3"	"RGZRQKNOUFRJLF-UHFFFAOYSA-N"	"15.0"	"1"	"2"	"TRUE"	"FALSE"
"1771"	"81250-24-0"	"DTXSID60230982"	"1H-Purine-2,6-dione, 3,7-dihydro-3-butyl-8-methyl-1-propyl-"	"EPA_DSSTox"	"CCCCN1C2=C(NC(C)=N2)C(=O)N(CCC)C1=O"	"CC1NC2=C(N=1)N(CCCC)C(=O)N(CCC)C2=O"	"?"	"InChI=1S/C13H20N4O2/c1-4-6-8-16-11-10(14-9(3)15-11)12(18)17(7-5-2)13(16)19/h4-8H2,1-3H3,(H,14,15)"	"QMRNVBQRDCPVDY-UHFFFAOYSA-N"	"15.0"	"1"	"2"	"TRUE"	"FALSE"
"1772"	"56581-45-4"	"DTXSID20205136"	"2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(m-chlorophenyl)-"	"EPA_DSSTox"	"ClC1=CC=CC(=C1)[Si]12OCCN(CCO1)CCO2"	"ClC1=CC(=CC=C1)[Si]12OCCN(CCO1)CCO2"	"?"	"InChI=1S/C12H16ClNO3Si/c13-11-2-1-3-12(10-11)18-15-7-4-14(5-8-16-18)6-9-17-18/h1-3,10H,4-9H2"	"ZVTSTPWMPMJSEE-UHFFFAOYSA-N"	"15.9"	"1"	"2"	"TRUE"	"FALSE"
"1773"	"41905-80-0"			"Public_CrossChecked"	"CCCCC(CC)C(=O)OC1=C(C(=O)c2ccccc12)c1c(C)cc(C)cc1C"	"CCCCC(CC)C(=O)OC1=C(C2C(C)=CC(C)=CC=2C)C(=O)C2=CC=CC=C21"	"?"	"InChI=1S/C26H30O3/c1-6-8-11-19(7-2)26(28)29-25-21-13-10-9-12-20(21)24(27)23(25)22-17(4)14-16(3)15-18(22)5/h9-10,12-15,19H,6-8,11H2,1-5H3"	"VPZWBKSYSNFFTK-UHFFFAOYSA-N"	"16.0"	"1"	"2"	"TRUE"	"FALSE"
"1774"	"66-32-0"	"DTXSID80873370"	"Strychnine nitrate"	"EPA_DSSTox"	"O[N+]([O-])=O.[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C7=C(C=CC=C7)[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H]"	"O=C1CC2OCC=C3CN4CCC56C(C2C3CC54)N1C1=CC=CC=C61"	"O[N+]([O-])=O"	"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"	"16.2"	"1"	"2"	"TRUE"	"FALSE"
"1775"	"63815-58-7"	"DTXSID30213262"	"Phosphoramidothioic acid, (ethyl(2-hydroxyethyl)-thiocarbamoyl)-, O,O-dimethyl ester"	"EPA_DSSTox"	"CCN(CCO)C(=S)NP(=S)(OC)OC"	"CCN(CCO)C(=S)NP(=S)(OC)OC"	"?"	"InChI=1S/C7H17N2O3PS2/c1-4-9(5-6-10)7(14)8-13(15,11-2)12-3/h10H,4-6H2,1-3H3,(H,8,14,15)"	"FYXFBCQMMPSBPP-UHFFFAOYSA-N"	"17.0"	"1"	"2"	"TRUE"	"FALSE"
"1776"	"1031-07-8"	"DTXSID3037541"	"Endosulfan sulfate"	"EPA_DSSTox"	"ClC1=C(Cl)C2(Cl)C3COS(=O)(=O)OCC3C1(Cl)C2(Cl)Cl"	"O=S1(=O)OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl"	"?"	"InChI=1S/C9H6Cl6O4S/c10-5-6(11)8(13)4-2-19-20(16,17)18-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2"	"AAPVQEMYVNZIOO-UHFFFAOYSA-N"	"18.0"	"1"	"2"	"TRUE"	"FALSE"
"1777"	"3309-78-2"			"Public_CrossChecked"	"CCOP(=O)(OCC)SCC#C"	"CCOP(=O)(OCC)SCC#C"	"?"	"InChI=1S/C7H13O3PS/c1-4-7-12-11(8,9-5-2)10-6-3/h1H,5-7H2,2-3H3"	"YWNBQUFJHSECNB-UHFFFAOYSA-N"	"18.0"	"1"	"2"	"TRUE"	"FALSE"
"1778"	"937-40-6"	"DTXSID3041081"	"N-Nitrosomethylbenzylamine"	"EPA_DSSTox"	"CN(CC1=CC=CC=C1)N=O"	"CN(CC1C=CC=CC=1)N=O"	"?"	"InChI=1S/C8H10N2O/c1-10(9-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3"	"NGXUJKBJBFLCAR-UHFFFAOYSA-N"	"18.0"	"1"	"2"	"TRUE"	"FALSE"
"1779"	"89427-37-2"	"DTXSID80237695"	"Benzimidazole, 6-bromo-5,7-dichloro-4-methyl-2-(trifluoromethyl)-"	"EPA_DSSTox"	"CC1=C2N=C(NC2=C(Cl)C(Br)=C1Cl)C(F)(F)F"	"CC1=C2N=C(NC2=C(Cl)C(Br)=C1Cl)C(F)(F)F"	"?"	"InChI=1S/C9H4BrCl2F3N2/c1-2-4(11)3(10)5(12)7-6(2)16-8(17-7)9(13,14)15/h1H3,(H,16,17)"	"ADZMYPDRUCSMAN-UHFFFAOYSA-N"	"18.26"	"1"	"2"	"TRUE"	"FALSE"
"1780"	"13908-93-5"	"DTXSID80160898"	"1-(2-Fluoroethyl)-3-cyclohexyl-1-nitrosourea"	"EPA_DSSTox"	"FCCN(N=O)C(=O)NC1CCCCC1"	"O=NN(CCF)C(=O)NC1CCCCC1"	"?"	"InChI=1S/C9H16FN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)"	"SIJUHDYJDHLNLY-UHFFFAOYSA-N"	"18.5"	"1"	"2"	"TRUE"	"FALSE"
"1781"	"23757-42-8"	"DTXSID50178425"	"Midaflur"	"EPA_DSSTox"	"NC1=NC(NC1(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F"	"NC1=CC(NC1(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F"	"?"	"InChI=1S/C8H4F12N2/c9-5(10,11)3(6(12,13)14)1-2(21)4(22-3,7(15,16)17)8(18,19)20/h1,22H,21H2"	"UODIMZBRRYXRQZ-UHFFFAOYSA-N"	"19.0"	"1"	"2"	"TRUE"	"FALSE"
"1782"	"81250-25-1"	"DTXSID20230983"	"1H-Purine-2,6-dione, 3,7-dihydro-8-methyl-3-(2-methylpropyl)-1-propyl-"	"EPA_DSSTox"	"CCCN1C(=O)N(CC(C)C)C2=C(NC(C)=N2)C1=O"	"CC1NC2=C(N=1)N(CC(C)C)C(=O)N(CCC)C2=O"	"?"	"InChI=1S/C13H20N4O2/c1-5-6-16-12(18)10-11(15-9(4)14-10)17(13(16)19)7-8(2)3/h8H,5-7H2,1-4H3,(H,14,15)"	"MXCWVLPCPQZMFT-UHFFFAOYSA-N"	"19.0"	"1"	"2"	"TRUE"	"FALSE"
"1783"	"23282-20-4"	"DTXSID3021067"	"Nivalenol"	"EPA_DSSTox"	"CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@@](C)([C@]33CO3)[C@@]2(CO)[C@H](O)C1=O"	"CC12C(O)C(O)C(OC3C=C(C)C(=O)C(O)C13CO)C12CO1"	"?"	"InChI=1S/C15H20O7/c1-6-3-7-14(4-16,11(20)8(6)17)13(2)10(19)9(18)12(22-7)15(13)5-21-15/h3,7,9-12,16,18-20H,4-5H2,1-2H3"	"UKOTXHQERFPCBU-UHFFFAOYSA-N"	"19.5"	"1"	"2"	"TRUE"	"FALSE"
"1784"	"154-93-8"	"DTXSID8022743"	"Carmustine"	"EPA_DSSTox"	"ClCCNC(=O)N(CCCl)N=O"	"O=NN(CCCl)C(=O)NCCCl"	"?"	"InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)"	"DLGOEMSEDOSKAD-UHFFFAOYSA-N"	"20.0"	"1"	"2"	"TRUE"	"FALSE"
"1785"	"22259-30-9"	"DTXSID9041990"	"Formetanate"	"EPA_DSSTox"	"CNC(=O)OC1=CC=CC(=C1)N=CN(C)C"	"CNC(=O)OC1C=C(C=CC=1)N=CN(C)C"	"?"	"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"	"20.0"	"1"	"2"	"TRUE"	"FALSE"
"1786"	"36616-49-6"			"Public_CrossChecked"	"[Cl-].C[NH+]1CCCC(C1)OC(=O)C(O)(c1cccs1)c1ccccc1"	"CN1CC(CCC1)OC(=O)C(O)(C1=CC=CS1)C1C=CC=CC=1"	"[Cl-]"	"InChI=1S/C18H21NO3S/c1-19-11-5-9-15(13-19)22-17(20)18(21,16-10-6-12-23-16)14-7-3-2-4-8-14/h2-4,6-8,10,12,15,21H,5,9,11,13H2,1H3"	"MZZQSAPGRDBPFR-UHFFFAOYSA-N"	"20.0"	"1"	"2"	"TRUE"	"FALSE"
"1787"	"6554-82-1"			"Public_CrossChecked"	"CCOP(=S)(OCC)SC1CCSC1"	"CCOP(=S)(OCC)SC1CSCC1"	"?"	"InChI=1S/C8H17O2PS3/c1-3-9-11(12,10-4-2)14-8-5-6-13-7-8/h8H,3-7H2,1-2H3"	"KJZINSQBEHIGQZ-UHFFFAOYSA-N"	"20.0"	"1"	"2"	"TRUE"	"FALSE"
"1788"	"78-34-2"	"DTXSID9020534"	"Dioxathion"	"EPA_DSSTox"	"CCOP(=S)(OCC)SC1OCCOC1SP(=S)(OCC)OCC"	"CCOP(=S)(OCC)SC1OCCOC1SP(=S)(OCC)OCC"	"?"	"InChI=1S/C12H26O6P2S4/c1-5-15-19(21,16-6-2)23-11-12(14-10-9-13-11)24-20(22,17-7-3)18-8-4/h11-12H,5-10H2,1-4H3"	"VBKKVDGJXVOLNE-UHFFFAOYSA-N"	"20.0"	"1"	"2"	"TRUE"	"FALSE"
"1789"	"4044-65-9"	"DTXSID3046532"	"Bitoscanate"	"EPA_DSSTox"	"S=C=NC1=CC=C(C=C1)N=C=S"	"S=C=NC1C=CC(=CC=1)N=C=S"	"?"	"InChI=1S/C8H4N2S2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H"	"OMWQUXGVXQELIX-UHFFFAOYSA-N"	"21.0"	"1"	"2"	"TRUE"	"FALSE"
"1790"	"2231-57-4"	"DTXSID7027461"	"Thiocarbazide"	"EPA_DSSTox"	"NNC(=S)NN"	"NNC(=S)NN"	"?"	"InChI=1S/CH6N4S/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6)"	"LJTFFORYSFGNCT-UHFFFAOYSA-N"	"21.6"	"1"	"2"	"TRUE"	"FALSE"
"1791"	"69900-72-7"			"Public_CrossChecked"	"CCCCC(C)(C)[C@H](O)C=C[C@H]1[C@H](C)CC(=O)[C@@H]1CC=CCCCC(O)=O"	"CC1CC(=O)C(CC=CCCCC(O)=O)C1C=CC(O)C(C)(C)CCCC"	"?"	"InChI=1S/C23H38O4/c1-5-6-15-23(3,4)21(25)14-13-18-17(2)16-20(24)19(18)11-9-7-8-10-12-22(26)27/h7,9,13-14,17-19,21,25H,5-6,8,10-12,15-16H2,1-4H3,(H,26,27)"	"OOAHNJDZICJECC-UHFFFAOYSA-N"	"22.0"	"1"	"2"	"TRUE"	"FALSE"
"1792"	"89426-88-0"	"DTXSID80237650"	"Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, methyl ester"	"EPA_DSSTox"	"COC(=O)C1=CC2=C(C=C1)N=C(N2)C(F)(F)F"	"COC(=O)C1C=C2NC(=NC2=CC=1)C(F)(F)F"	"?"	"InChI=1S/C10H7F3N2O2/c1-17-8(16)5-2-3-6-7(4-5)15-9(14-6)10(11,12)13/h2-4H,1H3,(H,14,15)"	"PHZVAKSKMBVEHM-UHFFFAOYSA-N"	"22.318"	"1"	"2"	"TRUE"	"FALSE"
"1793"	"2917-21-7"			"Public_CrossChecked"	"CCP(=S)(OC)Oc1ccc(cc1Cl)[N+]([O-])=O"	"COP(=S)(CC)OC1C=CC(=CC=1Cl)[N+]([O-])=O"	"?"	"InChI=1S/C9H11ClNO4PS/c1-3-16(17,14-2)15-9-5-4-7(11(12)13)6-8(9)10/h4-6H,3H2,1-2H3"	"GBSHLOCYYUYGCZ-UHFFFAOYSA-N"	"23.0"	"1"	"2"	"TRUE"	"FALSE"
"1794"	"78-94-4"	"DTXSID3025671"	"Methyl vinyl ketone"	"EPA_DSSTox"	"CC(=O)C=C"	"CC(=O)C=C"	"?"	"InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3"	"FUSUHKVFWTUUBE-UHFFFAOYSA-N"	"23.1"	"1"	"2"	"TRUE"	"FALSE"
"1795"	"20417-92-9"			"Public_CrossChecked"	"CNC(=O)ON=C1C2CCC(C2)C1(C)[N+]([O-])=O"	"CNC(=O)ON=C1C2CC(CC2)C1(C)[N+]([O-])=O"	"?"	"InChI=1S/C10H15N3O4/c1-10(13(15)16)7-4-3-6(5-7)8(10)12-17-9(14)11-2/h6-7H,3-5H2,1-2H3,(H,11,14)"	"ZIAJZEAOGKWGJQ-UHFFFAOYSA-N"	"24.0"	"1"	"2"	"TRUE"	"FALSE"
"1796"	"4549-40-0"	"DTXSID3042211"	"N-Nitrosomethylvinylamine"	"EPA_DSSTox"	"CN(CN=O)C=C"	"CN(CN=O)C=C"	"?"	"InChI=1S/C4H8N2O/c1-3-6(2)4-5-7/h3H,1,4H2,2H3"	"MFCHWYSOGVAXNC-UHFFFAOYSA-N"	"24.0"	"1"	"2"	"TRUE"	"FALSE"
"1797"	"63937-32-6"			"Public_CrossChecked"	"CCCCOC1CC1C(=O)OCCCC"	"CCCCOC1CC1C(=O)OCCCC"	"?"	"InChI=1S/C12H22O3/c1-3-5-7-14-11-9-10(11)12(13)15-8-6-4-2/h10-11H,3-9H2,1-2H3"	"OJUUXCCHJGMHEO-UHFFFAOYSA-N"	"24.0"	"1"	"2"	"TRUE"	"FALSE"
"1798"	"123277-32-7"	"DTXSID00153924"	"Propanoic acid, 2,2-dimethyl-, 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(=O)NC2=CC=CC=N2)=C(OC(=O)C(C)(C)C)C2=C(C=C(Cl)S2)S1(=O)=O"	"CN1C(=C(OC(=O)C(C)(C)C)C2SC(Cl)=CC=2S1(=O)=O)C(=O)NC1C=CC=CN=1"	"?"	"InChI=1S/C18H18ClN3O5S2/c1-18(2,3)17(24)27-14-13(16(23)21-12-7-5-6-8-20-12)22(4)29(25,26)10-9-11(19)28-15(10)14/h5-9H,1-4H3,(H,20,21,23)"	"TZCNYQCCEUDLQL-UHFFFAOYSA-N"	"24.6"	"1"	"2"	"TRUE"	"FALSE"
"1799"	"13425-22-4"			"Public_CrossChecked"	"OC(=O)C=CC(O)=O.NC1=NCC(O1)c1ccccc1"	"NC1=NCC(O1)C1C=CC=CC=1"	"C(=C/C(=O)O)\C(=O)O"	"InChI=1S/C9H10N2O/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11)"	"SYAKTDIEAPMBAL-UHFFFAOYSA-N"	"25.0"	"1"	"2"	"TRUE"	"FALSE"
"1800"	"22781-24-4"			"Public_CrossChecked"	"CCC1(C)Oc2cccc(OC(=O)NC)c2O1"	"CCC1(C)OC2C=CC=C(OC(=O)NC)C=2O1"	"?"	"InChI=1S/C12H15NO4/c1-4-12(2)16-9-7-5-6-8(10(9)17-12)15-11(14)13-3/h5-7H,4H2,1-3H3,(H,13,14)"	"BKHCZBURUAMMRR-UHFFFAOYSA-N"	"25.0"	"1"	"2"	"TRUE"	"FALSE"
"1801"	"30560-29-3"			"Public_CrossChecked"	"CCCCCC(=O)NP(=O)(OC)SC"	"CCCCCC(=O)NP(=O)(OC)SC"	"?"	"InChI=1S/C8H18NO3PS/c1-4-5-6-7-8(10)9-13(11,12-2)14-3/h4-7H2,1-3H3,(H,9,10,11)"	"HKLZEKPTKPZRQB-UHFFFAOYSA-N"	"25.0"	"1"	"2"	"TRUE"	"FALSE"
"1802"	"50539-67-8"	"DTXSID50198547"	"Carbamic acid, methyl((4-methylphenyl)thio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester"	"EPA_DSSTox"	"CN(SC1=CC=C(C)C=C1)C(=O)OC1=CC=CC2=C1OC(C)(C)C2"	"CC1C=CC(=CC=1)SN(C)C(=O)OC1C=CC=C2CC(C)(C)OC=12"	"?"	"InChI=1S/C19H21NO3S/c1-13-8-10-15(11-9-13)24-20(4)18(21)22-16-7-5-6-14-12-19(2,3)23-17(14)16/h5-11H,12H2,1-4H3"	"TWFYTVQCMTWBHO-UHFFFAOYSA-N"	"25.0"	"1"	"2"	"TRUE"	"FALSE"
"1803"	"50539-81-6"	"DTXSID90198561"	"Carbamic acid, (ethylthio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester"	"EPA_DSSTox"	"CCSN(C)C(=O)OC1=CC=CC2=C1OC(C)(C)C2"	"CCSN(C)C(=O)OC1C=CC=C2CC(C)(C)OC=12"	"?"	"InChI=1S/C14H19NO3S/c1-5-19-15(4)13(16)17-11-8-6-7-10-9-14(2,3)18-12(10)11/h6-8H,5,9H2,1-4H3"	"RJPCOPJDCSLQER-UHFFFAOYSA-N"	"25.0"	"1"	"2"	"TRUE"	"FALSE"
"1804"	"50802-70-5"	"DTXSID80198833"	"Carbamic acid, methyl((4-nitrophenyl)thio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester"	"EPA_DSSTox"	"CN(SC1=CC=C(C=C1)[N+]([O-])=O)C(=O)OC1=CC=CC2=C1OC(C)(C)C2"	"CN(SC1=CC=C(C=C1)[N+]([O-])=O)C(=O)OC1C=CC=C2CC(C)(C)OC=12"	"?"	"InChI=1S/C18H18N2O5S/c1-18(2)11-12-5-4-6-15(16(12)25-18)24-17(21)19(3)26-14-9-7-13(8-10-14)20(22)23/h4-10H,11H2,1-3H3"	"AJXRZXHBKCAJLS-UHFFFAOYSA-N"	"25.0"	"1"	"2"	"TRUE"	"FALSE"
"1805"	"56538-02-4"	"DTXSID10205100"	"Benzylamine, N-(2-chloroethyl)-2-ethoxy-5-nitro-"	"EPA_DSSTox"	"CCOC1=C(CNCCCl)C=C(C=C1)[N+]([O-])=O"	"CCOC1C=CC(=CC=1CNCCCl)[N+]([O-])=O"	"?"	"InChI=1S/C11H15ClN2O3/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"	"VMCCMKJABCHXOV-UHFFFAOYSA-N"	"25.0"	"1"	"2"	"TRUE"	"FALSE"
"1806"	"61361-62-4"	"DTXSID10210279"	"Ethanol, 2-(((2-ethoxy-5-nitrophenyl)methyl)amino)-"	"EPA_DSSTox"	"CCOC1=C(CNCCO)C=C(C=C1)[N+]([O-])=O"	"CCOC1=CC=C(C=C1CNCCO)[N+]([O-])=O"	"?"	"InChI=1S/C11H16N2O4/c1-2-17-11-4-3-10(13(15)16)7-9(11)8-12-5-6-14/h3-4,7,12,14H,2,5-6,8H2,1H3"	"VMWFSQQDIYPLMZ-UHFFFAOYSA-N"	"25.0"	"1"	"2"	"TRUE"	"FALSE"
"1807"	"6452-87-5"	"DTXSID50214791"	"(1,1'-Biphenyl)-4-ol, 3-(4-morpholinylmethyl)-"	"EPA_DSSTox"	"OC1=C(CN2CCOCC2)C=C(C=C1)C1=CC=CC=C1"	"OC1C=CC(=CC=1CN1CCOCC1)C1C=CC=CC=1"	"?"	"InChI=1S/C17H19NO2/c19-17-7-6-15(14-4-2-1-3-5-14)12-16(17)13-18-8-10-20-11-9-18/h1-7,12,19H,8-11,13H2"	"PHJXERQRCZRIMZ-UHFFFAOYSA-N"	"25.0"	"1"	"2"	"TRUE"	"FALSE"
"1808"	"920-37-6"	"DTXSID6052613"	"2-Chloroacrylonitrile"	"EPA_DSSTox"	"ClC(=C)C#N"	"C=C(Cl)C#N"	"?"	"InChI=1S/C3H2ClN/c1-3(4)2-5/h1H2"	"OYUNTGBISCIYPW-UHFFFAOYSA-N"	"25.0"	"1"	"2"	"TRUE"	"FALSE"
"1809"	"1420-07-1"	"DTXSID7041883"	"Dinoterb"	"EPA_DSSTox"	"CC(C)(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O"	"CC(C)(C)C1C=C(C=C(C=1O)[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C10H12N2O5/c1-10(2,3)7-4-6(11(14)15)5-8(9(7)13)12(16)17/h4-5,13H,1-3H3"	"IIPZYDQGBIWLBU-UHFFFAOYSA-N"	"26.0"	"1"	"2"	"TRUE"	"FALSE"
"1810"	"59631-26-4"	"DTXSID80208300"	"Phosphorothioic acid, O-(1,6-dihydro-5-methoxy-1-methyl-6-oxo-4-pyridazinyl) O,O-dipropyl ester"	"EPA_DSSTox"	"CCCOP(=S)(OCCC)OC1=C(OC)C(=O)N(C)N=C1"	"COC1C(=O)N(C)N=CC=1OP(=S)(OCCC)OCCC"	"?"	"InChI=1S/C12H21N2O5PS/c1-5-7-17-20(21,18-8-6-2)19-10-9-13-14(3)12(15)11(10)16-4/h9H,5-8H2,1-4H3"	"GQLCFIDCYUDUIV-UHFFFAOYSA-N"	"26.0"	"1"	"2"	"TRUE"	"FALSE"
"1811"	"42509-80-8"	"DTXSID7034676"	"Isazofos"	"EPA_DSSTox"	"CCOP(=S)(OCC)OC1=NN(C(C)C)C(Cl)=N1"	"CC(C)N1N=C(N=C1Cl)OP(=S)(OCC)OCC"	"?"	"InChI=1S/C9H17ClN3O3PS/c1-5-14-17(18,15-6-2)16-9-11-8(10)13(12-9)7(3)4/h7H,5-6H2,1-4H3"	"XRHGWAGWAHHFLF-UHFFFAOYSA-N"	"27.0"	"1"	"2"	"TRUE"	"FALSE"
"1812"	"24279-91-2"	"DTXSID8046870"	"Carboquone"	"EPA_DSSTox"	"COC(COC(N)=O)C1=C(N2CC2)C(=O)C(C)=C(N2CC2)C1=O"	"CC1C(=O)C(=C(C(COC(N)=O)OC)C(=O)C=1N1CC1)N1CC1"	"?"	"InChI=1S/C15H19N3O5/c1-8-11(17-3-4-17)14(20)10(9(22-2)7-23-15(16)21)12(13(8)19)18-5-6-18/h9H,3-7H2,1-2H3,(H2,16,21)"	"SHHKQEUPHAENFK-UHFFFAOYSA-N"	"27.3"	"1"	"2"	"TRUE"	"FALSE"
"1813"	"312-73-2"	"DTXSID00185129"	"1H-Benzimidazole, 2-(trifluoromethyl)- (9CI)"	"EPA_DSSTox"	"FC(F)(F)C1=NC2=CC=CC=C2N1"	"FC(F)(F)C1NC2C=CC=CC=2N=1"	"?"	"InChI=1S/C8H5F3N2/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H,(H,12,13)"	"MXFMPTXDHSDMTI-UHFFFAOYSA-N"	"28.0"	"1"	"2"	"TRUE"	"FALSE"
"1814"	"57-94-3"	"DTXSID2023727"	"(+)-Tubocurarine chloride hydrochloride"	"EPA_DSSTox"	"Cl.[Cl-].COC1=CC2=C3[C@@H](CC4=CC(OC5=CC6=C(CCN(C)[C@H]6CC6=CC=C(OC3=C1O)C=C6)C=C5OC)=C(O)C=C4)[N+](C)(C)CC2"	"COC1C=C2CCN(C)C3CC4C=CC(=CC=4)OC4=C5C(CC6=CC(OC=1C=C23)=C(O)C=C6)[N+](C)(C)CCC5=CC(OC)=C4O"	"[Cl-].Cl"	"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1"	"JFJZZMVDLULRGK-UHFFFAOYSA-O"	"28.0"	"1"	"2"	"TRUE"	"FALSE"
"1815"	"66840-00-4"	"DTXSID60216963"	"(1,1'-Biphenyl)-4-ol, 3-((diethylamino)methyl)-"	"EPA_DSSTox"	"CCN(CC)CC1=C(O)C=CC(=C1)C1=CC=CC=C1"	"CCN(CC1=CC(=CC=C1O)C1C=CC=CC=1)CC"	"?"	"InChI=1S/C17H21NO/c1-3-18(4-2)13-16-12-15(10-11-17(16)19)14-8-6-5-7-9-14/h5-12,19H,3-4,13H2,1-2H3"	"XEFLSZGUWJUOQN-UHFFFAOYSA-N"	"28.0"	"1"	"2"	"TRUE"	"FALSE"
"1816"	"22373-78-0"	"DTXSID2045573"	"Monensin sodium"	"EPA_DSSTox"	"[Na+].CC[C@]1(CC[C@@H](O1)[C@]1(C)CC[C@]2(C[C@H](O)[C@@H](C)[C@H](O2)[C@@H](C)[C@@H](OC)[C@H](C)C([O-])=O)O1)[C@@H]1O[C@H](C[C@@H]1C)[C@H]1O[C@@](O)(CO)[C@H](C)C[C@@H]1C"	"CC1(CCC2(CC(O)C(C)C(O2)C(C)C(OC)C(C)C(O)=O)O1)C1CCC(CC)(O1)C1OC(CC1C)C1OC(O)(CO)C(C)CC1C"	"[Na+]"	"InChI=1S/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)"	"GAOZTHIDHYLHMS-UHFFFAOYSA-N"	"29.0"	"1"	"2"	"TRUE"	"FALSE"
"1817"	"89427-12-3"	"DTXSID20237674"	"Benzimidazole-4,7-diol, 2-(trifluoromethyl)-"	"EPA_DSSTox"	"OC1=C2NC(=NC2=C(O)C=C1)C(F)(F)F"	"OC1C=CC(O)=C2N=C(NC=12)C(F)(F)F"	"?"	"InChI=1S/C8H5F3N2O2/c9-8(10,11)7-12-5-3(14)1-2-4(15)6(5)13-7/h1-2,14-15H,(H,12,13)"	"DCFYIZVYJUHHPR-UHFFFAOYSA-N"	"29.0"	"1"	"2"	"TRUE"	"FALSE"
"1818"	"3261-53-8"	"DTXSID10186304"	"Gitaloxin"	"EPA_DSSTox"	"C[C@H]1OC(C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)CC(O[C@H]2[C@@H](O)CC(O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H]([C@H](C[C@]54O)OC=O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C"	"CC12CCC(CC1CCC1C2CCC2(C)C(C(CC21O)OC=O)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/C42H64O15/c1-20-37(48)28(44)14-34(52-20)56-39-22(3)54-35(16-30(39)46)57-38-21(2)53-33(15-29(38)45)55-25-8-10-40(4)24(13-25)6-7-27-26(40)9-11-41(5)36(23-12-32(47)50-18-23)31(51-19-43)17-42(27,41)49/h12,19-22,24-31,33-39,44-46,48-49H,6-11,13-18H2,1-5H3"	"GZZJHPZDXZCDDA-UHFFFAOYSA-N"	"29.96"	"1"	"2"	"TRUE"	"FALSE"
"1819"	"18032-95-6"	"DTXSID80170952"	"Phosphonodithioic acid, ethyl-, S,S-diethyl ester"	"EPA_DSSTox"	"CCSP(=O)(CC)SCC"	"CCP(=O)(SCC)SCC"	"?"	"InChI=1S/C6H15OPS2/c1-4-8(7,9-5-2)10-6-3/h4-6H2,1-3H3"	"JACPDPNUDAAICS-UHFFFAOYSA-N"	"30.0"	"1"	"2"	"TRUE"	"FALSE"
"1820"	"3473-11-8"	"DTXSID00883976"	"Formaldehyde, oxime, hydrochloride (1:1)"	"EPA_DSSTox"	"Cl.ON=C"	"CN=O"	"Cl"	"InChI=1S/CH3NO/c1-2-3/h1H3"	"IMHRONYAKYWGCC-UHFFFAOYSA-N"	"30.0"	"1"	"2"	"TRUE"	"FALSE"
"1821"	"51356-19-5"	"DTXSID40199366"	"Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-bromo-2-(mercaptomethyl)-3(2H)-pyridazinone"	"EPA_DSSTox"	"CCOP(=S)(OCC)SCN1N=C(Br)C=CC1=O"	"CCOP(=S)(OCC)SCN1N=C(Br)C=CC1=O"	"?"	"InChI=1S/C9H14BrN2O3PS2/c1-3-14-16(17,15-4-2)18-7-12-9(13)6-5-8(10)11-12/h5-6H,3-4,7H2,1-2H3"	"GCZWRFIISHFFSP-UHFFFAOYSA-N"	"30.0"	"1"	"2"	"TRUE"	"FALSE"
"1822"	"66839-97-2"			"Public_CrossChecked"	"Oc1ccc(cc1CN1CCCC1)-c1ccccc1"	"OC1C=CC(=CC=1CN1CCCC1)C1C=CC=CC=1"	"?"	"InChI=1S/C17H19NO/c19-17-9-8-15(14-6-2-1-3-7-14)12-16(17)13-18-10-4-5-11-18/h1-3,6-9,12,19H,4-5,10-11,13H2"	"XQJLHCHLQCZANH-UHFFFAOYSA-N"	"30.0"	"1"	"2"	"TRUE"	"FALSE"
"1823"	"681-71-0"	"DTXSID70218296"	"S,S,S-Trimethyl phosphorotrithioate"	"EPA_DSSTox"	"CSP(=O)(SC)SC"	"CSP(=O)(SC)SC"	"?"	"InChI=1S/C3H9OPS3/c1-6-5(4,7-2)8-3/h1-3H3"	"LDMSZRWIHYAPSV-UHFFFAOYSA-N"	"30.0"	"1"	"2"	"TRUE"	"FALSE"
"1824"	"27704-53-6"			"Public_CrossChecked"	"CCOP(=O)(OCC)OC(=C(Cl)Cl)c1ccc(Cl)cc1Cl"	"CCOP(=O)(OC(C1C=CC(Cl)=CC=1Cl)=C(Cl)Cl)OCC"	"?"	"InChI=1S/C12H13Cl4O4P/c1-3-18-21(17,19-4-2)20-11(12(15)16)9-6-5-8(13)7-10(9)14/h5-7H,3-4H2,1-2H3"	"NSBQHHQVAOJUSV-UHFFFAOYSA-N"	"30.2"	"1"	"2"	"TRUE"	"FALSE"
"1825"	"18466-11-0"			"Public_CrossChecked"	"COP(C)(=S)SCSc1ccc(Cl)cc1"	"COP(C)(=S)SCSC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C9H12ClOPS3/c1-11-12(2,13)15-7-14-9-5-3-8(10)4-6-9/h3-6H,7H2,1-2H3"	"LDDXKEFYDGMFAI-UHFFFAOYSA-N"	"31.0"	"1"	"2"	"TRUE"	"FALSE"
"1826"	"71108-08-2"			"Public_CrossChecked"	"CNC(=O)ON=C1SC(SC1(C)C)=NC(C)(C)C"	"CC(C)(C)N=C1SC(C)(C)C(=NOC(=O)NC)S1"	"?"	"InChI=1S/C11H19N3O2S2/c1-10(2,3)13-9-17-7(11(4,5)18-9)14-16-8(15)12-6/h1-6H3,(H,12,15)"	"PWCSLGMJTZUQTA-UHFFFAOYSA-N"	"31.5"	"1"	"2"	"TRUE"	"FALSE"
"1827"	"14667-53-9"			"Public_CrossChecked"	"CP(=S)(OCC(Cl)=C)Oc1ccc(cc1)[N+]([O-])=O"	"CP(=S)(OCC(=C)Cl)OC1=CC=C(C=C1)[N+]([O-])=O"	"?"	"InChI=1S/C10H11ClNO4PS/c1-8(11)7-15-17(2,18)16-10-5-3-9(4-6-10)12(13)14/h3-6H,1,7H2,2H3"	"RXANTKIKQXIXAB-UHFFFAOYSA-N"	"32.0"	"1"	"2"	"TRUE"	"FALSE"
"1828"	"17040-19-6"	"DTXSID4037582"	"Demeton-S-methylsulphon"	"EPA_DSSTox"	"CCS(=O)(=O)CCSP(=O)(OC)OC"	"CCS(=O)(=O)CCSP(=O)(OC)OC"	"?"	"InChI=1S/C6H15O5PS2/c1-4-14(8,9)6-5-13-12(7,10-2)11-3/h4-6H2,1-3H3"	"PZIRJMYRYORVIT-UHFFFAOYSA-N"	"32.4"	"1"	"2"	"TRUE"	"FALSE"
"1829"	"10138-60-0"			"Public_CrossChecked"	"CC=CC(O)C#C"	"CC=CC(O)C#C"	"?"	"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h2-3,5-7H,1H3"	"SRSOGIWDNSFTEG-UHFFFAOYSA-N"	"34.0"	"1"	"2"	"TRUE"	"FALSE"
"1830"	"55-52-7"	"DTXSID6043838"	"Pheniprazine"	"EPA_DSSTox"	"CC(CC1=CC=CC=C1)NN"	"CC(CC1C=CC=CC=1)NN"	"?"	"InChI=1S/C9H14N2/c1-8(11-10)7-9-5-3-2-4-6-9/h2-6,8,11H,7,10H2,1H3"	"VXTWEDPZMSVFEF-UHFFFAOYSA-N"	"34.0"	"1"	"2"	"TRUE"	"FALSE"
"1831"	"2631-37-0"	"DTXSID4037617"	"Promecarb"	"EPA_DSSTox"	"CNC(=O)OC1=CC(=CC(C)=C1)C(C)C"	"CC1C=C(C=C(C=1)OC(=O)NC)C(C)C"	"?"	"InChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)"	"DTAPQAJKAFRNJB-UHFFFAOYSA-N"	"35.0"	"1"	"2"	"TRUE"	"FALSE"
"1832"	"3566-09-4"			"Public_CrossChecked"	"CNC(=O)Oc1cccc(C(C)C)c1Cl"	"CNC(=O)OC1=CC=CC(C(C)C)=C1Cl"	"?"	"InChI=1S/C11H14ClNO2/c1-7(2)8-5-4-6-9(10(8)12)15-11(14)13-3/h4-7H,1-3H3,(H,13,14)"	"OYQYZTQPLCFOSQ-UHFFFAOYSA-N"	"35.0"	"1"	"2"	"TRUE"	"FALSE"
"1833"	"69226-05-7"	"DTXSID80873451"	"4-Ethyl-2,3-dihydro-1,3-thiazole-2-thiol"	"EPA_DSSTox"	"CCC1=CSC(S)N1"	"CCC1CSC(S)N=1"	"?"	"InChI=1S/C5H9NS2/c1-2-4-3-8-5(7)6-4/h5,7H,2-3H2,1H3"	"RHPTURNNNYSOGP-UHFFFAOYSA-N"	"35.0"	"1"	"2"	"TRUE"	"FALSE"
"1834"	"51487-69-5"	"DTXSID8041791"	"Cloethocarb"	"EPA_DSSTox"	"CNC(=O)OC1=C(OC(CCl)OC)C=CC=C1"	"COC(CCl)OC1C=CC=CC=1OC(=O)NC"	"?"	"InChI=1S/C11H14ClNO4/c1-13-11(14)17-9-6-4-3-5-8(9)16-10(7-12)15-2/h3-6,10H,7H2,1-2H3,(H,13,14)"	"PITWUHDDNUVBPT-UHFFFAOYSA-N"	"35.4"	"1"	"2"	"TRUE"	"FALSE"
"1835"	"74833-39-9"			"Public_CrossChecked"	"CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@]11CO1"	"CC12C(O)C(O)C(OC3C=C(C)C(O)CC13COC(C)=O)C12CO1"	"?"	"InChI=1S/C17H24O7/c1-8-4-11-16(5-10(8)19,6-22-9(2)18)15(3)13(21)12(20)14(24-11)17(15)7-23-17/h4,10-14,19-21H,5-7H2,1-3H3"	"FCLYQYOJLQDQNA-UHFFFAOYSA-N"	"36.2"	"1"	"2"	"TRUE"	"FALSE"
"1836"	"325-85-9"	"DTXSID90186226"	"Acetamide, N,N-dibutyl-2-fluoro-"	"EPA_DSSTox"	"CCCCN(CCCC)C(=O)CF"	"CCCCN(CCCC)C(=O)CF"	"?"	"InChI=1S/C10H20FNO/c1-3-5-7-12(8-6-4-2)10(13)9-11/h3-9H2,1-2H3"	"MCFXTMQHTIDALX-UHFFFAOYSA-N"	"37.0"	"1"	"2"	"TRUE"	"FALSE"
"1837"	"6420-47-9"	"DTXSID5034989"	"Dinoseb-trolamine"	"EPA_DSSTox"	"OCCN(CCO)CCO.CCC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O"	"CCC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O"	"C(CN(CCO)CCO)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"	"37.0"	"1"	"2"	"TRUE"	"FALSE"
"1838"	"3415-60-9"	"DTXSID90187758"	"1-Propanol, 3,3'-(phenylimino)di-, dimethanesulfonate (ester), hydrochloride"	"EPA_DSSTox"	"Cl.CS(=O)(=O)OCCCN(CCCOS(C)(=O)=O)C1=CC=CC=C1"	"CS(=O)(=O)OCCCN(CCCOS(C)(=O)=O)C1C=CC=CC=1"	"Cl"	"InChI=1S/C14H23NO6S2/c1-22(16,17)20-12-6-10-15(14-8-4-3-5-9-14)11-7-13-21-23(2,18)19/h3-5,8-9H,6-7,10-13H2,1-2H3"	"OFDPDQPXERZBHW-UHFFFAOYSA-N"	"38.0"	"1"	"2"	"TRUE"	"FALSE"
"1839"	"7700-17-6"	"DTXSID6037514"	"Crotoxyphos"	"EPA_DSSTox"	"COP(=O)(OC)O\C(C)=C\C(=O)OC(C)C1=CC=CC=C1"	"CC(=CC(=O)OC(C)C1C=CC=CC=1)OP(=O)(OC)OC"	"?"	"InChI=1S/C14H19O6P/c1-11(20-21(16,17-3)18-4)10-14(15)19-12(2)13-8-6-5-7-9-13/h5-10,12H,1-4H3"	"XXXSILNSXNPGKG-UHFFFAOYSA-N"	"38.4"	"1"	"2"	"TRUE"	"FALSE"
"1840"	"83733-82-8"	"DTXSID0058196"	"Fosmethilan"	"EPA_DSSTox"	"CCCC(=O)N(CSP(=S)(OC)OC)C1=CC=CC=C1Cl"	"CCCC(=O)N(CSP(=S)(OC)OC)C1=CC=CC=C1Cl"	"?"	"InChI=1S/C13H19ClNO3PS2/c1-4-7-13(16)15(10-21-19(20,17-2)18-3)12-9-6-5-8-11(12)14/h5-6,8-9H,4,7,10H2,1-3H3"	"MVBGKYGTNGPFHT-UHFFFAOYSA-N"	"39.0"	"1"	"2"	"TRUE"	"FALSE"
"1841"	"1319-80-8"			"Public_CrossChecked"	"CC1(C)C(=C)C2(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)C2(Cl)Cl"	"CC1(C)C(=C)C2(Cl)C(Cl)(Cl)C1(Cl)C(Cl)(Cl)C2(Cl)Cl"	"?"	"InChI=1S/C10H8Cl8/c1-4-5(2,3)7(12)8(13,14)6(4,11)9(15,16)10(7,17)18/h1H2,2-3H3"	"LVJGHULVGIFLAE-UHFFFAOYSA-N"	"40.0"	"1"	"2"	"TRUE"	"FALSE"
"1842"	"27097-50-3"			"Public_CrossChecked"	"OC1(N2CCN=C2c2ccc(F)cc12)c1ccccc1"	"OC1(C2C=C(F)C=CC=2C2=NCCN12)C1C=CC=CC=1"	"?"	"InChI=1S/C16H13FN2O/c17-12-6-7-13-14(10-12)16(20,11-4-2-1-3-5-11)19-9-8-18-15(13)19/h1-7,10,20H,8-9H2"	"RVROVJJHPUKGLK-UHFFFAOYSA-N"	"40.0"	"1"	"2"	"TRUE"	"FALSE"
"1843"	"89457-09-0"	"DTXSID10237724"	"Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)C1=CC2=C(C=C1)N=C(N2)C(F)(F)F"	"CCOC(=O)C1C=C2NC(=NC2=CC=1)C(F)(F)F"	"?"	"InChI=1S/C11H9F3N2O2/c1-2-18-9(17)6-3-4-7-8(5-6)16-10(15-7)11(12,13)14/h3-5H,2H2,1H3,(H,15,16)"	"WOQXCSGTWFKUSU-UHFFFAOYSA-N"	"40.0"	"1"	"2"	"TRUE"	"FALSE"
"1844"	"24268-87-9"			"Public_CrossChecked"	"[Cl-].C[NH+](C)CCn1c2ccccc2c(=O)c2c(cccc12)[N+]([O-])=O"	"CN(C)CC[n]1c2ccccc2c(=O)c2c1cccc2[N+]([O-])=O"	"[Cl-]"	"InChI=1S/C17H17N3O3/c1-18(2)10-11-19-13-7-4-3-6-12(13)17(21)16-14(19)8-5-9-15(16)20(22)23/h3-9H,10-11H2,1-2H3"	"WSJXSQRWIUPYMV-UHFFFAOYSA-N"	"41.0"	"1"	"2"	"TRUE"	"FALSE"
"1845"	"52670-78-7"	"DTXSID60200645"	"Phosphoramidic acid, methylphenyl-, diethyl ester"	"EPA_DSSTox"	"CCOP(=O)(OCC)N(C)C1=CC=CC=C1"	"CN(C1C=CC=CC=1)P(=O)(OCC)OCC"	"?"	"InChI=1S/C11H18NO3P/c1-4-14-16(13,15-5-2)12(3)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3"	"BWXYXRLYYLXUNV-UHFFFAOYSA-N"	"41.0"	"1"	"2"	"TRUE"	"FALSE"
"1846"	"1757-18-2"	"DTXSID5034775"	"Akton"	"EPA_DSSTox"	"CCOP(=S)(OCC)O\C(=C\Cl)C1=C(Cl)C=CC(Cl)=C1"	"CCOP(=S)(OC(=CCl)C1C=C(Cl)C=CC=1Cl)OCC"	"?"	"InChI=1S/C12H14Cl3O3PS/c1-3-16-19(20,17-4-2)18-12(8-13)10-7-9(14)5-6-11(10)15/h5-8H,3-4H2,1-2H3"	"QCKIOHMRUZJYQZ-UHFFFAOYSA-N"	"42.0"	"1"	"2"	"TRUE"	"FALSE"
"1847"	"67-97-0"	"DTXSID6026294"	"Vitamin D3"	"EPA_DSSTox"	"[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)C"	"CC(C)CCCC(C)C1CCC2C(CCCC21C)=CC=C1CC(O)CCC1=C"	"?"	"InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3"	"QYSXJUFSXHHAJI-UHFFFAOYSA-N"	"42.0"	"1"	"2"	"TRUE"	"FALSE"
"1848"	"1100-88-5"	"DTXSID6051566"	"Benzyltriphenylphosphonium chloride"	"EPA_DSSTox"	"[Cl-].C(C1=CC=CC=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1"	"C(C1C=CC=CC=1)[P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1"	"[Cl-]"	"InChI=1S/C25H22P/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2/q+1"	"BNQRPLGZFADFGA-UHFFFAOYSA-N"	"43.0"	"1"	"2"	"TRUE"	"FALSE"
"1849"	"100789-69-3"			"Public_CrossChecked"	"CCC(C)c1ccc(OC(=O)NC)cc1"	"CCC(C)C1C=CC(=CC=1)OC(=O)NC"	"?"	"InChI=1S/C12H17NO2/c1-4-9(2)10-5-7-11(8-6-10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)"	"SAHIEIKAICLWTR-UHFFFAOYSA-N"	"44.0"	"1"	"2"	"TRUE"	"FALSE"
"1850"	"3853-61-0"	"DTXSID70191858"	"ENT 25868"	"EPA_DSSTox"	"COP(=S)(OC)SCSCCOC(N)=O"	"COP(=S)(OC)SCSCCOC(N)=O"	"?"	"InChI=1S/C6H14NO4PS3/c1-9-12(13,10-2)15-5-14-4-3-11-6(7)8/h3-5H2,1-2H3,(H2,7,8)"	"UVUWCTMVUUPDDF-UHFFFAOYSA-N"	"44.0"	"1"	"2"	"TRUE"	"FALSE"
"1851"	"80026-76-2"	"DTXSID70230019"	"1H-Imidazol-2-amine, 4,5-dihydro-N-(2,6-dichlorophenyl)-1-(2-quinolinylcarbonyl)-"	"EPA_DSSTox"	"ClC1=CC=CC(Cl)=C1NC1=NCCN1C(=O)C1=NC2=CC=CC=C2C=C1"	"O=C(C1=CC=C2C=CC=CC2=N1)N1CCN=C1NC1C(Cl)=CC=CC=1Cl"	"?"	"InChI=1S/C19H14Cl2N4O/c20-13-5-3-6-14(21)17(13)24-19-22-10-11-25(19)18(26)16-9-8-12-4-1-2-7-15(12)23-16/h1-9H,10-11H2,(H,22,24)"	"ZUOGANHZRCNEBW-UHFFFAOYSA-N"	"44.0"	"1"	"2"	"TRUE"	"FALSE"
"1852"	"3684-97-7"	"DTXSID30190302"	"Acetonitrile, 2(N-methyl-N-nitroso)amino-"	"EPA_DSSTox"	"CN(CC#N)N=O"	"CN(CC#N)N=O"	"?"	"InChI=1S/C3H5N3O/c1-6(5-7)3-2-4/h3H2,1H3"	"KJIVJRGXJXQEQK-UHFFFAOYSA-N"	"45.0"	"1"	"2"	"TRUE"	"FALSE"
"1853"	"333-43-7"	"DTXSID5042241"	"O-Ethyl S-(4-methylphenyl) ethylphosphonodithioate"	"EPA_DSSTox"	"CCOP(=S)(CC)SC1=CC=C(C)C=C1"	"CC1C=CC(=CC=1)SP(=S)(CC)OCC"	"?"	"InChI=1S/C11H17OPS2/c1-4-12-13(14,5-2)15-11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3"	"NBOFCNFKEBLKTL-UHFFFAOYSA-N"	"46.0"	"1"	"2"	"TRUE"	"FALSE"
"1854"	"64058-99-7"			"Public_CrossChecked"	"CCCNC(=NCCC)C(OCC)c1ccc(Cl)cc1"	"CCOC(/C(/NCCC)=N/CCC)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C16H25ClN2O/c1-4-11-18-16(19-12-5-2)15(20-6-3)13-7-9-14(17)10-8-13/h7-10,15H,4-6,11-12H2,1-3H3,(H,18,19)"	"SLKRAJQUPTYRFX-UHFFFAOYSA-N"	"47.0"	"1"	"2"	"TRUE"	"FALSE"
"1855"	"16752-54-8"			"Public_CrossChecked"	"CNC(C)C#N"	"CNC(C)C#N"	"?"	"InChI=1S/C4H8N2/c1-4(3-5)6-2/h4,6H,1-2H3"	"MTKGPLGETVCLCF-UHFFFAOYSA-N"	"48.0"	"1"	"2"	"TRUE"	"FALSE"
"1856"	"953-17-3"	"DTXSID3040275"	"Methyl trithion"	"EPA_DSSTox"	"COP(=S)(OC)SCSC1=CC=C(Cl)C=C1"	"COP(=S)(OC)SCSC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C9H12ClO2PS3/c1-11-13(14,12-2)16-7-15-9-5-3-8(10)4-6-9/h3-6H,7H2,1-2H3"	"OUCCVXVYGFBXSV-UHFFFAOYSA-N"	"48.0"	"1"	"2"	"TRUE"	"FALSE"
"1857"	"3671-60-1"	"DTXSID80190170"	"Benzimidazole, 5-bromo-2-(trifluoromethyl)-"	"EPA_DSSTox"	"FC(F)(F)C1=NC2=C(N1)C=C(Br)C=C2"	"FC(F)(F)C1NC2C=C(Br)C=CC=2N=1"	"?"	"InChI=1S/C8H4BrF3N2/c9-4-1-2-5-6(3-4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14)"	"FKSDCMMCSWXZLS-UHFFFAOYSA-N"	"49.0"	"1"	"2"	"TRUE"	"FALSE"
"1858"	"102-08-9"	"DTXSID4026139"	"Thiocarbanilide"	"EPA_DSSTox"	"S=C(NC1=CC=CC=C1)NC1=CC=CC=C1"	"S=C(NC1C=CC=CC=1)NC1C=CC=CC=1"	"?"	"InChI=1S/C13H12N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)"	"FCSHMCFRCYZTRQ-UHFFFAOYSA-N"	"50.0"	"1"	"2"	"TRUE"	"FALSE"
"1859"	"140-53-4"	"DTXSID8051708"	"4-Chlorophenylacetonitrile"	"EPA_DSSTox"	"ClC1=CC=C(CC#N)C=C1"	"N#CCC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C8H6ClN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2"	"IVYMIRMKXZAHRV-UHFFFAOYSA-N"	"50.0"	"1"	"2"	"TRUE"	"FALSE"
"1860"	"18328-90-0"	"DTXSID3027798"	"N-Ethyl-2-methyl-2-propen-1-amine"	"EPA_DSSTox"	"CCNCC(C)=C"	"CCNCC(C)=C"	"?"	"InChI=1S/C6H13N/c1-4-7-5-6(2)3/h7H,2,4-5H2,1,3H3"	"AXTLFVLHXSDZOW-UHFFFAOYSA-N"	"50.0"	"1"	"2"	"TRUE"	"FALSE"
"1861"	"25537-46-6"			"Public_CrossChecked"	"CCOP(=O)(CC)Oc1cc(C)nc(SCC)n1"	"CC1C=C(N=C(N=1)SCC)OP(=O)(CC)OCC"	"?"	"InChI=1S/C11H19N2O3PS/c1-5-15-17(14,6-2)16-10-8-9(4)12-11(13-10)18-7-3/h8H,5-7H2,1-4H3"	"VILCCVHHUUHGNG-UHFFFAOYSA-N"	"50.0"	"1"	"2"	"TRUE"	"FALSE"
"1862"	"3070-19-7"	"DTXSID40184732"	"Ethyl chlorthion"	"EPA_DSSTox"	"CCOP(=S)(OCC)OC1=CC(Cl)=C(C=C1)[N+]([O-])=O"	"CCOP(=S)(OC1C=C(Cl)C(=CC=1)[N+]([O-])=O)OCC"	"?"	"InChI=1S/C10H13ClNO5PS/c1-3-15-18(19,16-4-2)17-8-5-6-10(12(13)14)9(11)7-8/h5-7H,3-4H2,1-2H3"	"BDLIWEUZZIHMSW-UHFFFAOYSA-N"	"50.0"	"1"	"2"	"TRUE"	"FALSE"
"1863"	"35160-17-9"	"DTXSID20188657"	"2-Thiazoline, 2-(1-naphthylamino)-"	"EPA_DSSTox"	"C1CN=C(NC2=CC=CC3=CC=CC=C23)S1"	"C1CSC(NC2=CC=CC3C=CC=CC=32)=N1"	"?"	"InChI=1S/C13H12N2S/c1-2-6-11-10(4-1)5-3-7-12(11)15-13-14-8-9-16-13/h1-7H,8-9H2,(H,14,15)"	"OPHJVMLHMZPRDG-UHFFFAOYSA-N"	"50.0"	"1"	"2"	"TRUE"	"FALSE"
"1864"	"3964-18-9"	"DTXSID4063248"	"Butane, 2,3-dimethyl-2,3-dinitro-"	"EPA_DSSTox"	"CC(C)([N+]([O-])=O)C(C)(C)[N+]([O-])=O"	"CC(C)([N+]([O-])=O)C(C)(C)[N+]([O-])=O"	"?"	"InChI=1S/C6H12N2O4/c1-5(2,7(9)10)6(3,4)8(11)12/h1-4H3"	"DWCLXOREGBLXTD-UHFFFAOYSA-N"	"50.0"	"1"	"2"	"TRUE"	"FALSE"
"1865"	"591-08-2"	"DTXSID4060446"	"1-Acetyl-2-thiourea"	"EPA_DSSTox"	"CC(=O)NC(N)=S"	"CC(=O)NC(N)=S"	"?"	"InChI=1S/C3H6N2OS/c1-2(6)5-3(4)7/h1H3,(H3,4,5,6,7)"	"IPCRBOOJBPETMF-UHFFFAOYSA-N"	"50.0"	"1"	"2"	"TRUE"	"FALSE"
"1866"	"623-48-3"	"DTXSID5060770"	"Acetic acid, iodo-, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)CI"	"CCOC(=O)CI"	"?"	"InChI=1S/C4H7IO2/c1-2-7-4(6)3-5/h2-3H2,1H3"	"MFFXVVHUKRKXCI-UHFFFAOYSA-N"	"50.0"	"1"	"2"	"TRUE"	"FALSE"
"1867"	"63980-89-2"	"DTXSID60213871"	"Phosphorothioic acid, O-ethyl S-(4-methylphenyl) ester (9CI)"	"EPA_DSSTox"	"CCOP(O)(=O)SC1=CC=C(C)C=C1"	"CC1C=CC(=CC=1)SP(O)(=O)OCC"	"?"	"InChI=1S/C9H13O3PS/c1-3-12-13(10,11)14-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,10,11)"	"PPAVHHVBWSUYDY-UHFFFAOYSA-N"	"50.0"	"1"	"2"	"TRUE"	"FALSE"
"1868"	"66232-26-6"	"DTXSID20216429"	"Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, undecyl ester"	"EPA_DSSTox"	"CCCCCCCCCCCOC(=O)CC1=CC=C(C=C1)N(CCCl)CCCl"	"CCCCCCCCCCCOC(=O)CC1C=CC(=CC=1)N(CCCl)CCCl"	"?"	"InChI=1S/C23H37Cl2NO2/c1-2-3-4-5-6-7-8-9-10-19-28-23(27)20-21-11-13-22(14-12-21)26(17-15-24)18-16-25/h11-14H,2-10,15-20H2,1H3"	"KXQOWLUWNIVZES-UHFFFAOYSA-N"	"50.0"	"1"	"2"	"TRUE"	"FALSE"
"1869"	"77668-42-9"	"DTXSID80228306"	"(2,3-Dichlorophenyl)oxoacetonitrile"	"EPA_DSSTox"	"ClC1=CC=CC(C(=O)C#N)=C1Cl"	"N#CC(=O)C1=CC=CC(Cl)=C1Cl"	"?"	"InChI=1S/C8H3Cl2NO/c9-6-3-1-2-5(8(6)10)7(12)4-11/h1-3H"	"FIBBFBXFASKAON-UHFFFAOYSA-N"	"50.0"	"1"	"2"	"TRUE"	"FALSE"
"1870"	"926-64-7"	"DTXSID0073241"	"Dimethylaminoacetonitrile"	"EPA_DSSTox"	"CN(C)CC#N"	"CN(C)CC#N"	"?"	"InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3"	"PLXBWEPPAAQASG-UHFFFAOYSA-N"	"50.0"	"1"	"2"	"TRUE"	"FALSE"
"1871"	"129-67-9"	"DTXSID1041899"	"Disodium endothal"	"EPA_DSSTox"	"[Na+].[Na+].[O-]C(=O)C1C2CCC(O2)C1C([O-])=O"	"OC(=O)C1C(C2CCC1O2)C(O)=O"	"[Na+].[Na+]"	"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"	"51.0"	"2"	"3"	"FALSE"	"FALSE"
"1872"	"29168-87-4"			"Public_CrossChecked"	"COC(=O)c1ccc(cc1)N=NN(C)C"	"COC(=O)C1C=CC(=CC=1)N=NN(C)C"	"?"	"InChI=1S/C10H13N3O2/c1-13(2)12-11-9-6-4-8(5-7-9)10(14)15-3/h4-7H,1-3H3"	"QBIUIDQLFKGAPD-UHFFFAOYSA-N"	"52.0"	"2"	"3"	"FALSE"	"FALSE"
"1873"	"106-96-7"	"DTXSID3042340"	"Propargyl bromide"	"EPA_DSSTox"	"BrCC#C"	"C#CCBr"	"?"	"InChI=1S/C3H3Br/c1-2-3-4/h1H,3H2"	"YORCIIVHUBAYBQ-UHFFFAOYSA-N"	"53.0"	"2"	"3"	"FALSE"	"FALSE"
"1874"	"28998-47-2"			"Public_CrossChecked"	"Nc1cc2C(CCc2cc1C1CCCCC1)C(O)=O"	"NC1C=C2C(CCC2=CC=1C1CCCCC1)C(O)=O"	"?"	"InChI=1S/C16H21NO2/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,1-7,17H2,(H,18,19)"	"VUDHKNQACVHAKK-UHFFFAOYSA-N"	"54.0"	"2"	"3"	"FALSE"	"FALSE"
"1875"	"1072957-71-1"	"DTXSID8057930"	"Benzovindiflupyr"	"EPA_DSSTox"	"CN1C=C(C(O)=NC2=CC=CC3=C2C2CCC3C2=C(Cl)Cl)C(=N1)C(F)F"	"CN1C=C(/C(/O)=N/C2=CC=CC3C4CCC(C=32)C4=C(Cl)Cl)C(=N1)C(F)F"	"?"	"InChI=1S/C18H15Cl2F2N3O/c1-25-7-11(15(24-25)17(21)22)18(26)23-12-4-2-3-8-9-5-6-10(13(8)12)14(9)16(19)20/h2-4,7,9-10,17H,5-6H2,1H3,(H,23,26)"	"CCCGEKHKTPTUHJ-UHFFFAOYSA-N"	"55.0"	"2"	"3"	"FALSE"	"FALSE"
"1876"	"63815-50-9"			"Public_CrossChecked"	"CCOP(=O)(OCC)OP(=S)(CCl)OCC(C)C"	"CC(C)COP(=S)(CCl)OP(=O)(OCC)OCC"	"?"	"InChI=1S/C9H21ClO5P2S/c1-5-12-17(11,13-6-2)15-16(18,8-10)14-7-9(3)4/h9H,5-8H2,1-4H3"	"XIIGQYHQBUYJCV-UHFFFAOYSA-N"	"55.0"	"2"	"3"	"FALSE"	"FALSE"
"1877"	"24994-52-3"	"DTXSID80179703"	"Benzimidazol-6-ol, 5-chloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"OC1=C(Cl)C=C2NC(=NC2=C1)C(F)(F)F"	"OC1=CC2N=C(NC=2C=C1Cl)C(F)(F)F"	"?"	"InChI=1S/C8H4ClF3N2O/c9-3-1-4-5(2-6(3)15)14-7(13-4)8(10,11)12/h1-2,15H,(H,13,14)"	"WVFCYJMVRGLCPI-UHFFFAOYSA-N"	"55.456"	"2"	"3"	"FALSE"	"FALSE"
"1878"	"466-06-8"	"DTXSID5023532"	"Proscillaridin"	"EPA_DSSTox"	"C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)C2=COC(=O)C=C2)[C@H](O)[C@H](O)[C@H]1O"	"CC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5(O)C4CCC3=C2)C2=COC(=O)C=C2)C(O)C(O)C1O"	"?"	"InChI=1S/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3"	"MYEJFUXQJGHEQK-UHFFFAOYSA-N"	"56.0"	"2"	"3"	"FALSE"	"FALSE"
"1879"	"64318-79-2"			"Public_CrossChecked"	"CCCCC(C)(C)[C@H](O)C=C[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCC=CC(=O)OC"	"CCCCC(C)(C)C(O)C=CC1C(CCCCC=CC(=O)OC)C(=O)CC1O"	"?"	"InChI=1S/C23H38O5/c1-5-6-15-23(2,3)21(26)14-13-18-17(19(24)16-20(18)25)11-9-7-8-10-12-22(27)28-4/h10,12-14,17-18,20-21,25-26H,5-9,11,15-16H2,1-4H3"	"KYBOHGVERHWSSV-UHFFFAOYSA-N"	"56.5"	"2"	"3"	"FALSE"	"FALSE"
"1880"	"50765-91-8"			"Public_CrossChecked"	"CC(C)=CCC(CCN1CCCCC1)(C(N)=O)c1cccc2ccccc12"	"CC(C)=CCC(CCN1CCCCC1)(C(N)=O)C1C=CC=C2C=CC=CC2=1"	"?"	"InChI=1S/C24H32N2O/c1-19(2)13-14-24(23(25)27,15-18-26-16-6-3-7-17-26)22-12-8-10-20-9-4-5-11-21(20)22/h4-5,8-13H,3,6-7,14-18H2,1-2H3,(H2,25,27)"	"DRQHMYYWGQFHOV-UHFFFAOYSA-N"	"57.0"	"2"	"3"	"FALSE"	"FALSE"
"1881"	"115-44-6"	"DTXSID8023630"	"Talbutal"	"EPA_DSSTox"	"CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O"	"CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O"	"?"	"InChI=1S/C11H16N2O3/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)"	"BJVVMKUXKQHWJK-UHFFFAOYSA-N"	"57.5"	"2"	"3"	"FALSE"	"FALSE"
"1882"	"33210-39-8"			"Public_CrossChecked"	"CCOC(CC)(C1=NCC(C)(C)CN1)c1ccc(Cl)cc1"	"CC1(C)CNC(=NC1)C(CC)(OCC)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C17H25ClN2O/c1-5-17(21-6-2,13-7-9-14(18)10-8-13)15-19-11-16(3,4)12-20-15/h7-10H,5-6,11-12H2,1-4H3,(H,19,20)"	"YFNBRJDQNDFSSJ-UHFFFAOYSA-N"	"58.0"	"2"	"3"	"FALSE"	"FALSE"
"1883"	"57576-44-0"	"DTXSID1022554"	"Aclarubicins"	"EPA_DSSTox"	"CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)N(C)C)C2=C(O)C3=C(C=C2[C@H]1C(=O)OC)C(=O)C1=CC=CC(O)=C1C3=O"	"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"	"?"	"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"	"58.56"	"2"	"3"	"FALSE"	"FALSE"
"1884"	"74-94-2"	"DTXSID7052494"	"Dimethylamine-borane (1:1)"	"EPA_DSSTox"	"B.CNC"	"CNC"	"B"	"InChI=1S/C2H7N/c1-3-2/h3H,1-2H3"	"ROSDSFDQCJNGOL-UHFFFAOYSA-N"	"59.0"	"2"	"3"	"FALSE"	"FALSE"
"1885"	"65474-39-7"	"DTXSID60215794"	"Indomethacin salicylate"	"EPA_DSSTox"	"COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(=O)OC1=CC=CC=C1C(O)=O"	"CC1=C(CC(=O)OC2=CC=CC=C2C(O)=O)C2=CC(=CC=C2N1C(=O)C1C=CC(Cl)=CC=1)OC"	"?"	"InChI=1S/C26H20ClNO6/c1-15-20(14-24(29)34-23-6-4-3-5-19(23)26(31)32)21-13-18(33-2)11-12-22(21)28(15)25(30)16-7-9-17(27)10-8-16/h3-13H,14H2,1-2H3,(H,31,32)"	"ZMVHVVYABPAONG-UHFFFAOYSA-N"	"59.5"	"2"	"3"	"FALSE"	"FALSE"
"1886"	"16219-98-0"	"DTXSID4021050"	"2-Nitrosomethylaminopyridine"	"EPA_DSSTox"	"CN(N=O)C1=NC=CC=C1"	"CN(N=O)C1C=CC=CN=1"	"?"	"InChI=1S/C6H7N3O/c1-9(8-10)6-4-2-3-5-7-6/h2-5H,1H3"	"WJDNMDMNPIKDCP-UHFFFAOYSA-N"	"60.0"	"2"	"3"	"FALSE"	"FALSE"
"1887"	"2813-95-8"	"DTXSID3074816"	"Dinoseb acetate"	"EPA_DSSTox"	"CCC(C)C1=C(OC(C)=O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O"	"CC(=O)OC1C(=CC(=CC=1C(C)CC)[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C12H14N2O6/c1-4-7(2)10-5-9(13(16)17)6-11(14(18)19)12(10)20-8(3)15/h5-7H,4H2,1-3H3"	"RDJTWDKSYLLHRW-UHFFFAOYSA-N"	"60.0"	"2"	"3"	"FALSE"	"FALSE"
"1888"	"50673-08-0"	"DTXSID20198711"	"Carbamic acid, (butylthio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester"	"EPA_DSSTox"	"CCCCSN(C)C(=O)OC1=CC=CC2=C1OC(C)(C)C2"	"CCCCSN(C)C(=O)OC1C=CC=C2CC(C)(C)OC=12"	"?"	"InChI=1S/C16H23NO3S/c1-5-6-10-21-17(4)15(18)19-13-9-7-8-12-11-16(2,3)20-14(12)13/h7-9H,5-6,10-11H2,1-4H3"	"BIJMXDNSESMDDR-UHFFFAOYSA-N"	"60.0"	"2"	"3"	"FALSE"	"FALSE"
"1889"	"556-64-9"	"DTXSID5060304"	"Methyl thiocyanate"	"EPA_DSSTox"	"CSC#N"	"CSC#N"	"?"	"InChI=1S/C2H3NS/c1-4-2-3/h1H3"	"VYHVQEYOFIYNJP-UHFFFAOYSA-N"	"60.0"	"2"	"3"	"FALSE"	"FALSE"
"1890"	"91893-34-4"	"DTXSID90238734"	"Ethanesulfonamide, 2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-N,N-diethyl-"	"EPA_DSSTox"	"CCN(CC)S(=O)(=O)CCNC(=O)N(CCCl)N=O"	"CCN(CC)S(=O)(=O)CCNC(=O)N(CCCl)N=O"	"?"	"InChI=1S/C9H19ClN4O4S/c1-3-13(4-2)19(17,18)8-6-11-9(15)14(12-16)7-5-10/h3-8H2,1-2H3,(H,11,15)"	"VQKCEDDRDIQHGP-UHFFFAOYSA-N"	"60.0"	"2"	"3"	"FALSE"	"FALSE"
"1891"	"127-21-9"	"DTXSID1073159"	"2-Propanone, 1,3-dichloro-1,1,3,3-tetrafluoro-"	"EPA_DSSTox"	"FC(F)(Cl)C(=O)C(F)(F)Cl"	"O=C(C(F)(F)Cl)C(F)(F)Cl"	"?"	"InChI=1S/C3Cl2F4O/c4-2(6,7)1(10)3(5,8)9"	"QRKKTXWUDLJYCV-UHFFFAOYSA-N"	"61.0"	"2"	"3"	"FALSE"	"FALSE"
"1892"	"3735-92-0"	"DTXSID40190797"	"Carbamic acid, dimethyldithio-, methyl ester"	"EPA_DSSTox"	"CSC(=S)N(C)C"	"CSC(=S)N(C)C"	"?"	"InChI=1S/C4H9NS2/c1-5(2)4(6)7-3/h1-3H3"	"NBBZMDUHKWRYSZ-UHFFFAOYSA-N"	"62.0"	"2"	"3"	"FALSE"	"FALSE"
"1893"	"87-47-8"	"DTXSID6042361"	"Pyrolan"	"EPA_DSSTox"	"CN(C)C(=O)OC1=CC(C)=NN1C1=CC=CC=C1"	"CN(C)C(=O)OC1=CC(C)=NN1C1C=CC=CC=1"	"?"	"InChI=1S/C13H15N3O2/c1-10-9-12(18-13(17)15(2)3)16(14-10)11-7-5-4-6-8-11/h4-9H,1-3H3"	"GEDIWDLJKRKBFT-UHFFFAOYSA-N"	"62.0"	"2"	"3"	"FALSE"	"FALSE"
"1894"	"118-95-6"	"DTXSID6074463"	"Isopropyl-4,6-dinitrophenol"	"EPA_DSSTox"	"CC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O"	"CC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C9H10N2O5/c1-5(2)7-3-6(10(13)14)4-8(9(7)12)11(15)16/h3-5,12H,1-2H3"	"HBYHYLBZPLCIEE-UHFFFAOYSA-N"	"63.0"	"2"	"3"	"FALSE"	"FALSE"
"1895"	"3690-28-6"			"Public_CrossChecked"	"CCOC(=O)C(SP(=O)(OC)OC)c1ccccc1"	"CCOC(=O)C(SP(=O)(OC)OC)C1C=CC=CC=1"	"?"	"InChI=1S/C12H17O5PS/c1-4-17-12(13)11(10-8-6-5-7-9-10)19-18(14,15-2)16-3/h5-9,11H,4H2,1-3H3"	"BPHVILLCQZUQEX-UHFFFAOYSA-N"	"63.0"	"2"	"3"	"FALSE"	"FALSE"
"1896"	"86811-46-3"	"DTXSID7073694"	"1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2-[(2-carboxyphenoxy)carbonyl]phenyl ester"	"EPA_DSSTox"	"COC1=CC=C2N(C(=O)C3=CC=C(Cl)C=C3)C(C)=C(CC(=O)OC3=C(C=CC=C3)C(=O)OC3=C(C=CC=C3)C(O)=O)C2=C1"	"CC1=C(CC(=O)OC2C=CC=CC=2C(=O)OC2C=CC=CC=2C(O)=O)C2C=C(C=CC=2N1C(=O)C1C=CC(Cl)=CC=1)OC"	"?"	"InChI=1S/C33H24ClNO8/c1-19-25(26-17-22(41-2)15-16-27(26)35(19)31(37)20-11-13-21(34)14-12-20)18-30(36)42-29-10-6-4-8-24(29)33(40)43-28-9-5-3-7-23(28)32(38)39/h3-17H,18H2,1-2H3,(H,38,39)"	"HSTCMJJFYYQQRG-UHFFFAOYSA-N"	"63.0"	"2"	"3"	"FALSE"	"FALSE"
"1897"	"107-04-0"	"DTXSID4024775"	"1-Chloro-2-bromoethane"	"EPA_DSSTox"	"ClCCBr"	"ClCCBr"	"?"	"InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2"	"IBYHHJPAARCAIE-UHFFFAOYSA-N"	"64.0"	"2"	"3"	"FALSE"	"FALSE"
"1898"	"557-75-5"	"DTXSID8051467"	"Vinyl alcohol"	"EPA_DSSTox"	"OC=C"	"C=CO"	"?"	"InChI=1S/C2H4O/c1-2-3/h2-3H,1H2"	"IMROMDMJAWUWLK-UHFFFAOYSA-N"	"64.0"	"2"	"3"	"FALSE"	"FALSE"
"1899"	"13413-40-6"			"Public_CrossChecked"	"CCCSP(C)(=S)OP(C)(=S)SCCC"	"CP(=S)(OP(C)(=S)SCCC)SCCC"	"?"	"InChI=1S/C8H20OP2S4/c1-5-7-14-10(3,12)9-11(4,13)15-8-6-2/h5-8H2,1-4H3"	"CQTQMQWOMRUBPN-UHFFFAOYSA-N"	"65.0"	"2"	"3"	"FALSE"	"FALSE"
"1900"	"51356-20-8"	"DTXSID00199367"	"Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-5-methyl-3(2H)-pyridazinone"	"EPA_DSSTox"	"COP(=S)(OC)SCN1N=C(Cl)C(C)=CC1=O"	"CC1=CC(=O)N(CSP(=S)(OC)OC)N=C1Cl"	"?"	"InChI=1S/C8H12ClN2O3PS2/c1-6-4-7(12)11(10-8(6)9)5-17-15(16,13-2)14-3/h4H,5H2,1-3H3"	"JYNAMLAHBYFIIR-UHFFFAOYSA-N"	"65.0"	"2"	"3"	"FALSE"	"FALSE"
"1901"	"14465-96-4"	"DTXSID80162776"	"Dimatiph"	"EPA_DSSTox"	"NP(=S)(N1CC1)N1CC1"	"NP(=S)(N1CC1)N1CC1"	"?"	"InChI=1S/C4H10N3PS/c5-8(9,6-1-2-6)7-3-4-7/h1-4H2,(H2,5,9)"	"RXZRAOONKFIKQQ-UHFFFAOYSA-N"	"66.0"	"2"	"3"	"FALSE"	"FALSE"
"1902"	"91503-79-6"	"DTXSID8048600"	"Flurbiprofen axetil"	"EPA_DSSTox"	"CC(OC(C)=O)OC(=O)C(C)C1=CC=C(C(F)=C1)C1=CC=CC=C1"	"CC(=O)OC(C)OC(=O)C(C)C1=CC(F)=C(C=C1)C1C=CC=CC=1"	"?"	"InChI=1S/C19H19FO4/c1-12(19(22)24-14(3)23-13(2)21)16-9-10-17(18(20)11-16)15-7-5-4-6-8-15/h4-12,14H,1-3H3"	"ALIVXCSEERJYHU-UHFFFAOYSA-N"	"66.0"	"2"	"3"	"FALSE"	"FALSE"
"1903"	"572-48-5"	"DTXSID1058131"	"Coumithoate"	"EPA_DSSTox"	"CCOP(=S)(OCC)OC1=CC=C2C3=C(CCCC3)C(=O)OC2=C1"	"CCOP(=S)(OC1C=C2OC(=O)C3CCCCC=3C2=CC=1)OCC"	"?"	"InChI=1S/C17H21O5PS/c1-3-19-23(24,20-4-2)22-12-9-10-14-13-7-5-6-8-15(13)17(18)21-16(14)11-12/h9-11H,3-8H2,1-2H3"	"NSMRHYDOKZAMKJ-UHFFFAOYSA-N"	"67.0"	"2"	"3"	"FALSE"	"FALSE"
"1904"	"17702-78-2"			"Public_CrossChecked"	"CCOP(=S)(OC(C)C)Sc1nc(C)cc(C)n1"	"CCOP(=S)(OC(C)C)SC1N=C(C)C=C(C)N=1"	"?"	"InChI=1S/C11H19N2O2PS2/c1-6-14-16(17,15-8(2)3)18-11-12-9(4)7-10(5)13-11/h7-8H,6H2,1-5H3"	"IQYJDJBTQWOOOH-UHFFFAOYSA-N"	"68.0"	"2"	"3"	"FALSE"	"FALSE"
"1905"	"57647-79-7"	"DTXSID40206347"	"Benclonidine"	"EPA_DSSTox"	"ClC1=CC=CC(Cl)=C1NC1=NCCN1C(=O)C1=CC=CC=C1"	"O=C(C1C=CC=CC=1)N1CCN=C1NC1C(Cl)=CC=CC=1Cl"	"?"	"InChI=1S/C16H13Cl2N3O/c17-12-7-4-8-13(18)14(12)20-16-19-9-10-21(16)15(22)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,20)"	"YHEMKMZUJKPOCO-UHFFFAOYSA-N"	"68.1"	"2"	"3"	"FALSE"	"FALSE"
"1906"	"82-02-0"	"DTXSID9045267"	"Khellin"	"EPA_DSSTox"	"COC1=C2OC(C)=CC(=O)C2=C(OC)C2=C1OC=C2"	"CC1=CC(=O)C2C(O1)=C(OC)C1OC=CC=1C=2OC"	"?"	"InChI=1S/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3"	"HSMPDPBYAYSOBC-UHFFFAOYSA-N"	"68.8"	"2"	"3"	"FALSE"	"FALSE"
"1907"	"1079-33-0"	"DTXSID0042161"	"Mobam"	"EPA_DSSTox"	"CNC(=O)OC1=C2C=CSC2=CC=C1"	"CNC(=O)OC1C=CC=C2SC=CC=12"	"?"	"InChI=1S/C10H9NO2S/c1-11-10(12)13-8-3-2-4-9-7(8)5-6-14-9/h2-6H,1H3,(H,11,12)"	"BOTUVXISJHKZKJ-UHFFFAOYSA-N"	"70.0"	"2"	"3"	"FALSE"	"FALSE"
"1908"	"21498-08-8"	"DTXSID0020781"	"Lofexidine hydrochloride"	"EPA_DSSTox"	"Cl.CC(OC1=C(Cl)C=CC=C1Cl)C1=NCCN1"	"CC(OC1C(Cl)=CC=CC=1Cl)C1NCCN=1"	"Cl"	"InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)"	"KSMAGQUYOIHWFS-UHFFFAOYSA-N"	"70.0"	"2"	"3"	"FALSE"	"FALSE"
"1909"	"66671-82-7"	"DTXSID3070468"	"1,4-Benzenediamine, 2-methoxy-, sulfate (1:1)"	"EPA_DSSTox"	"OS(O)(=O)=O.COC1=CC(N)=CC=C1N"	"COC1=CC(N)=CC=C1N"	"S(=O)(=O)(O)O"	"InChI=1S/C7H10N2O/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,8-9H2,1H3"	"HGUYBLVGLMAUFF-UHFFFAOYSA-N"	"70.0"	"2"	"3"	"FALSE"	"FALSE"
"1910"	"4081-32-7"			"Public_CrossChecked"	"CCOP(=S)(CCl)Oc1ccc(cc1OC)C#N"	"COC1C=C(C=CC=1OP(=S)(CCl)OCC)C#N"	"?"	"InChI=1S/C11H13ClNO3PS/c1-3-15-17(18,8-12)16-10-5-4-9(7-13)6-11(10)14-2/h4-6H,3,8H2,1-2H3"	"KVPDTNOBCPYEMW-UHFFFAOYSA-N"	"71.0"	"2"	"3"	"FALSE"	"FALSE"
"1911"	"63716-30-3"	"DTXSID40213132"	"Carbanilic acid, 4-hydroxy-2,6-dimethyl-, methylcarbamate (ester)"	"EPA_DSSTox"	"CNC(=O)OC1=CC(C)=C(NC(O)=O)C(C)=C1"	"CNC(=O)OC1=CC(C)=C(NC(O)=O)C(C)=C1"	"?"	"InChI=1S/C11H14N2O4/c1-6-4-8(17-11(16)12-3)5-7(2)9(6)13-10(14)15/h4-5,13H,1-3H3,(H,12,16)(H,14,15)"	"XPWYTOCLVUTBNX-UHFFFAOYSA-N"	"71.0"	"2"	"3"	"FALSE"	"FALSE"
"1912"	"2922-44-3"	"DTXSID1048918"	"Dextromoramide tartrate"	"EPA_DSSTox"	"O[C@H]([C@@H](O)C(O)=O)C(O)=O.C[C@H](CN1CCOCC1)C(C(=O)N1CCCC1)(C1=CC=CC=C1)C1=CC=CC=C1"	"CC(CN1CCOCC1)C(C(=O)N1CCCC1)(C1C=CC=CC=1)C1C=CC=CC=1"	"C(=O)(O)[C@@H]([C@H](C(=O)O)O)O"	"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"	"71.8"	"2"	"3"	"FALSE"	"FALSE"
"1913"	"66232-27-7"	"DTXSID30216430"	"Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, dodecyl ester"	"EPA_DSSTox"	"CCCCCCCCCCCCOC(=O)CC1=CC=C(C=C1)N(CCCl)CCCl"	"CCCCCCCCCCCCOC(=O)CC1C=CC(=CC=1)N(CCCl)CCCl"	"?"	"InChI=1S/C24H39Cl2NO2/c1-2-3-4-5-6-7-8-9-10-11-20-29-24(28)21-22-12-14-23(15-13-22)27(18-16-25)19-17-26/h12-15H,2-11,16-21H2,1H3"	"HEBYKHCHUCWIIH-UHFFFAOYSA-N"	"72.0"	"2"	"3"	"FALSE"	"FALSE"
"1914"	"2720-18-5"			"Public_CrossChecked"	"CC(C)OP(C)(=S)Oc1cc(Cl)c(Br)cc1Cl"	"CC(C)OP(C)(=S)OC1C=C(Cl)C(Br)=CC=1Cl"	"?"	"InChI=1S/C10H12BrCl2O2PS/c1-6(2)14-16(3,17)15-10-5-8(12)7(11)4-9(10)13/h4-6H,1-3H3"	"XELURNPXOIANMJ-UHFFFAOYSA-N"	"73.0"	"2"	"3"	"FALSE"	"FALSE"
"1915"	"5090-37-9"	"DTXSID00198931"	"Metizoline hydrochloride"	"EPA_DSSTox"	"Cl.CC1=C(CC2=NCCN2)C2=CC=CC=C2S1"	"CC1SC2C=CC=CC=2C=1CC1NCCN=1"	"Cl"	"InChI=1S/C13H14N2S/c1-9-11(8-13-14-6-7-15-13)10-4-2-3-5-12(10)16-9/h2-5H,6-8H2,1H3,(H,14,15)"	"NDNKHWUXXOFHTD-UHFFFAOYSA-N"	"74.0"	"2"	"3"	"FALSE"	"FALSE"
"1916"	"111-44-4"	"DTXSID9020168"	"Bis(2-chloroethyl) ether"	"EPA_DSSTox"	"ClCCOCCCl"	"ClCCOCCCl"	"?"	"InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2"	"ZNSMNVMLTJELDZ-UHFFFAOYSA-N"	"75.0"	"2"	"3"	"FALSE"	"FALSE"
"1917"	"17455-23-1"			"Public_CrossChecked"	"C1CCC2OCCOCCOCCOC3CCCCC3OCCOCCOCCOC2C1"	"C1COCCOC2CCCCC2OCCOCCOCCOC2CCCCC2OCCO1"	"?"	"InChI=1S/C24H44O8/c1-2-6-22-21(5-1)29-17-13-25-9-10-27-15-19-31-23-7-3-4-8-24(23)32-20-16-28-12-11-26-14-18-30-22/h21-24H,1-20H2"	"QMLGNDFKJAFKGZ-UHFFFAOYSA-N"	"75.0"	"2"	"3"	"FALSE"	"FALSE"
"1918"	"6008-60-2"	"DTXSID7073359"	"Propanedinitrile, 1,3-dithietan-2-ylidene-"	"EPA_DSSTox"	"N#CC(C#N)=C1SCS1"	"N#CC(C#N)=C1SCS1"	"?"	"InChI=1S/C5H2N2S2/c6-1-4(2-7)5-8-3-9-5/h3H2"	"ZKJSHCHPIMUIFQ-UHFFFAOYSA-N"	"75.0"	"2"	"3"	"FALSE"	"FALSE"
"1919"	"2597-53-7"			"Public_CrossChecked"	"CCOP(=O)(OC=CCl)N(CC)CC"	"CCOP(=O)(OC=CCl)N(CC)CC"	"?"	"InChI=1S/C8H17ClNO3P/c1-4-10(5-2)14(11,12-6-3)13-8-7-9/h7-8H,4-6H2,1-3H3"	"NFSRJCGFQZCJLN-UHFFFAOYSA-N"	"76.0"	"2"	"3"	"FALSE"	"FALSE"
"1920"	"16883-45-7"			"Public_CrossChecked"	"[BH4-].C[N+](C)(C)C"	"C[N+](C)(C)C"	"[BH4-]"	"InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1"	"QEMXHQIAXOOASZ-UHFFFAOYSA-N"	"77.0"	"2"	"3"	"FALSE"	"FALSE"
"1921"	"143-81-7"	"DTXSID70874119"	"Butabarbital Sodium"	"EPA_DSSTox"	"[Na+].CCC(C)C1(CC)C(O)=NC(=O)N=C1[O-]"	"CC(CC)C1(CC)C(O)=NC(=O)N=C1O"	"[Na+]"	"InChI=1S/C10H16N2O3/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)"	"ZRIHAIZYIMGOAB-UHFFFAOYSA-N"	"78.0"	"2"	"3"	"FALSE"	"FALSE"
"1922"	"78816-67-8"			"Public_CrossChecked"	"CCOC(=O)Nc1ccc2CCc3ccccc3N(C(=O)CN(C)C)c2c1"	"CN(C)CC(=O)N1C2C=CC=CC=2CCC2C=CC(=CC1=2)NC(=O)OCC"	"?"	"InChI=1S/C21H25N3O3/c1-4-27-21(26)22-17-12-11-16-10-9-15-7-5-6-8-18(15)24(19(16)13-17)20(25)14-23(2)3/h5-8,11-13H,4,9-10,14H2,1-3H3,(H,22,26)"	"KJAMZCVTJDTESW-UHFFFAOYSA-N"	"78.0"	"2"	"3"	"FALSE"	"FALSE"
"1923"	"33396-37-1"			"Public_CrossChecked"	"CO[C@H]1[C@H](C)O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)c2ccc(=O)oc2)[C@H](O)[C@@H]1O"	"CC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5(O)C4CCC3=C2)c2coc(=O)cc2)C(O)C(O)C1OC"	"?"	"InChI=1S/C31H44O8/c1-17-27(36-4)25(33)26(34)28(38-17)39-20-9-12-29(2)19(15-20)6-7-23-22(29)10-13-30(3)21(11-14-31(23,30)35)18-5-8-24(32)37-16-18/h5,8,15-17,20-23,25-28,33-35H,6-7,9-14H2,1-4H3"	"RKWPZPDLTYBKCL-UHFFFAOYSA-N"	"79.0"	"2"	"3"	"FALSE"	"FALSE"
"1924"	"5954-90-5"			"Public_CrossChecked"	"CP(=S)(Oc1ccccc1)Oc1ccc(cc1)C#N"	"CP(=S)(OC1C=CC(=CC=1)C#N)OC1C=CC=CC=1"	"?"	"InChI=1S/C14H12NO2PS/c1-18(19,16-13-5-3-2-4-6-13)17-14-9-7-12(11-15)8-10-14/h2-10H,1H3"	"WVLHBTMVPFIQTG-UHFFFAOYSA-N"	"79.0"	"2"	"3"	"FALSE"	"FALSE"
"1925"	"106-50-3"	"DTXSID9021138"	"1,4-Benzenediamine"	"EPA_DSSTox"	"NC1=CC=C(N)C=C1"	"NC1C=CC(N)=CC=1"	"?"	"InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2"	"CBCKQZAAMUWICA-UHFFFAOYSA-N"	"80.0"	"2"	"3"	"FALSE"	"FALSE"
"1926"	"1866-43-9"	"DTXSID30171919"	"Rolodine"	"EPA_DSSTox"	"CC1=NC2=C(C=CN2)C(NCC2=CC=CC=C2)=N1"	"CC1N=C(NCC2C=CC=CC=2)C2C=CNC=2N=1"	"?"	"InChI=1S/C14H14N4/c1-10-17-13-12(7-8-15-13)14(18-10)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,15,16,17,18)"	"HPZHFGBKCGWNGN-UHFFFAOYSA-N"	"80.0"	"2"	"3"	"FALSE"	"FALSE"
"1927"	"2463-45-8"	"DTXSID30883848"	"1,3-Dioxolan-2-one, 4-(chloromethyl)-"	"EPA_DSSTox"	"ClCC1COC(=O)O1"	"O=C1OCC(CCl)O1"	"?"	"InChI=1S/C4H5ClO3/c5-1-3-2-7-4(6)8-3/h3H,1-2H2"	"LFEAJBLOEPTINE-UHFFFAOYSA-N"	"80.0"	"2"	"3"	"FALSE"	"FALSE"
"1928"	"766-05-2"	"DTXSID30227400"	"Cyclohexanecarbonitrile"	"EPA_DSSTox"	"N#CC1CCCCC1"	"N#CC1CCCCC1"	"?"	"InChI=1S/C7H11N/c8-6-7-4-2-1-3-5-7/h7H,1-5H2"	"VBWIZSYFQSOUFQ-UHFFFAOYSA-N"	"80.0"	"2"	"3"	"FALSE"	"FALSE"
"1929"	"100-76-5"	"DTXSID2057607"	"Quinuclidine"	"EPA_DSSTox"	"C1CN2CCC1CC2"	"C1CN2CCC1CC2"	"?"	"InChI=1S/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H2"	"SBYHFKPVCBCYGV-UHFFFAOYSA-N"	"81.2"	"2"	"3"	"FALSE"	"FALSE"
"1930"	"997-70-6"	"DTXSID70244217"	"Thiocyanic acid, 2-(dimethylamino)trimethylene ester"	"EPA_DSSTox"	"CN(C)C(CSC#N)CSC#N"	"CN(C)C(CSC#N)CSC#N"	"?"	"InChI=1S/C7H11N3S2/c1-10(2)7(3-11-5-8)4-12-6-9/h7H,3-4H2,1-2H3"	"BOXLJKXGZDMCIU-UHFFFAOYSA-N"	"82.0"	"2"	"3"	"FALSE"	"FALSE"
"1931"	"1420-06-0"	"DTXSID6042492"	"Trifenmorph"	"EPA_DSSTox"	"C1CN(CCO1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1"	"C1CN(CCO1)C(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C23H23NO/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24-16-18-25-19-17-24/h1-15H,16-19H2"	"ZJMLMBICUVVJDX-UHFFFAOYSA-N"	"83.0"	"2"	"3"	"FALSE"	"FALSE"
"1932"	"54266-80-7"	"DTXSID40875759"	"1,3-OXATHIOLAN-4-ONE, 5-PROPYL-, O-[(METHYLAMINO"	"EPA_DSSTox"	"CCCC1OCS\C1=N/OC(O)=NC"	"CN=C(O)ON=C1SCOC1CCC"	"?"	"InChI=1S/C8H14N2O3S/c1-3-4-6-7(14-5-12-6)10-13-8(11)9-2/h6H,3-5H2,1-2H3,(H,9,11)"	"JDOFONHTNPZLDC-UHFFFAOYSA-N"	"83.0"	"2"	"3"	"FALSE"	"FALSE"
"1933"	"63834-87-7"	"DTXSID70213286"	"Heptanethiol, methyl-"	"EPA_DSSTox"	"CCCCCCCSC"	"CCCCCCCSC"	"?"	"InChI=1S/C8H18S/c1-3-4-5-6-7-8-9-2/h3-8H2,1-2H3"	"FJDWJOQOEZRIDJ-UHFFFAOYSA-N"	"83.5"	"2"	"3"	"FALSE"	"FALSE"
"1934"	"38237-74-0"	"DTXSID4068082"	"1-Pentanone, 1-(4-aminophenyl)-"	"EPA_DSSTox"	"CCCCC(=O)C1=CC=C(N)C=C1"	"CCCCC(=O)C1C=CC(N)=CC=1"	"?"	"InChI=1S/C11H15NO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8H,2-4,12H2,1H3"	"ODSCUBSJIFLFPF-UHFFFAOYSA-N"	"84.0"	"2"	"3"	"FALSE"	"FALSE"
"1935"	"2984-78-3"			"Public_CrossChecked"	"COP(=S)(OC)SCSCC=C(Cl)Cl"	"COP(=S)(OC)SCSCC=C(Cl)Cl"	"?"	"InChI=1S/C6H11Cl2O2PS3/c1-9-11(12,10-2)14-5-13-4-3-6(7)8/h3H,4-5H2,1-2H3"	"LPVNOZJUGTXORH-UHFFFAOYSA-N"	"85.0"	"2"	"3"	"FALSE"	"FALSE"
"1936"	"34552-82-4"	"DTXSID20188091"	"Fluperamide hydrochloride"	"EPA_DSSTox"	"Cl.CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC(=C(Cl)C=C1)C(F)(F)F)(C1=CC=CC=C1)C1=CC=CC=C1"	"CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC(=C(Cl)C=C1)C(F)(F)F)(C1C=CC=CC=1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C30H32ClF3N2O2/c1-35(2)27(37)29(22-9-5-3-6-10-22,23-11-7-4-8-12-23)17-20-36-18-15-28(38,16-19-36)24-13-14-26(31)25(21-24)30(32,33)34/h3-14,21,38H,15-20H2,1-2H3"	"WPYGCZCMGMVGNO-UHFFFAOYSA-N"	"86.0"	"2"	"3"	"FALSE"	"FALSE"
"1937"	"64059-14-9"	"DTXSID60214247"	"Carbamic acid, methyl-, 4-diallylaminophenyl ester"	"EPA_DSSTox"	"CNC(=O)OC1=CC=C(C=C1)N(CC=C)CC=C"	"CNC(=O)OC1C=CC(=CC=1)N(CC=C)CC=C"	"?"	"InChI=1S/C14H18N2O2/c1-4-10-16(11-5-2)12-6-8-13(9-7-12)18-14(17)15-3/h4-9H,1-2,10-11H2,3H3,(H,15,17)"	"QKXMQCQXIQIDMZ-UHFFFAOYSA-N"	"86.8"	"2"	"3"	"FALSE"	"FALSE"
"1938"	"672-04-8"	"DTXSID1042102"	"m-(1-Ethylpropyl)phenyl methylcarbamate"	"EPA_DSSTox"	"CCC(CC)C1=CC=CC(OC(=O)NC)=C1"	"CNC(=O)OC1=CC(=CC=C1)C(CC)CC"	"?"	"InChI=1S/C13H19NO2/c1-4-10(5-2)11-7-6-8-12(9-11)16-13(15)14-3/h6-10H,4-5H2,1-3H3,(H,14,15)"	"SMSFWBAOKCZZBF-UHFFFAOYSA-N"	"87.0"	"2"	"3"	"FALSE"	"FALSE"
"1939"	"2674-91-1"	"DTXSID4042250"	"Oxydeprofos"	"EPA_DSSTox"	"CCS(=O)CC(C)SP(=O)(OC)OC"	"CCS(=O)CC(C)SP(=O)(OC)OC"	"?"	"InChI=1S/C7H17O4PS2/c1-5-14(9)6-7(2)13-12(8,10-3)11-4/h7H,5-6H2,1-4H3"	"JAYZFNIOOYPIAH-UHFFFAOYSA-N"	"89.0"	"2"	"3"	"FALSE"	"FALSE"
"1940"	"764-41-0"	"DTXSID9027310"	"1,4-Dichloro-2-butene"	"EPA_DSSTox"	"ClCC=CCCl"	"ClCC=CCCl"	"?"	"InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2"	"FQDIANVAWVHZIR-UHFFFAOYSA-N"	"89.0"	"2"	"3"	"FALSE"	"FALSE"
"1941"	"127-35-5"	"DTXSID90860736"	"Phenazocine"	"EPA_DSSTox"	"CC1C2CC3=C(C=C(O)C=C3)C1(C)CCN2CCC1=CC=CC=C1"	"CC1C2CC3=CC=C(O)C=C3C1(C)CCN2CCC1C=CC=CC=1"	"?"	"InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3"	"ZQHYKVKNPWDQSL-UHFFFAOYSA-N"	"90.0"	"2"	"3"	"FALSE"	"FALSE"
"1942"	"2984-70-5"			"Public_CrossChecked"	"CCP(=S)(OC)Sc1ccccc1"	"CCP(=S)(OC)SC1C=CC=CC=1"	"?"	"InChI=1S/C9H13OPS2/c1-3-11(12,10-2)13-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3"	"BFHXKSJAKWIQQW-UHFFFAOYSA-N"	"90.0"	"2"	"3"	"FALSE"	"FALSE"
"1943"	"616-23-9"	"DTXSID2024038"	"2,3-Dichloro-1-propanol"	"EPA_DSSTox"	"OCC(Cl)CCl"	"OCC(Cl)CCl"	"?"	"InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2"	"ZXCYIJGIGSDJQQ-UHFFFAOYSA-N"	"90.0"	"2"	"3"	"FALSE"	"FALSE"
"1944"	"7070-93-1"	"DTXSID30220971"	"Carbamic acid, methyl-, o-(1,3-dithiolan-2-yl)phenyl ester"	"EPA_DSSTox"	"CNC(=O)OC1=CC=CC=C1C1SCCS1"	"CNC(=O)OC1=CC=CC=C1C1SCCS1"	"?"	"InChI=1S/C11H13NO2S2/c1-12-11(13)14-9-5-3-2-4-8(9)10-15-6-7-16-10/h2-5,10H,6-7H2,1H3,(H,12,13)"	"KWUCJKVKINNROS-UHFFFAOYSA-N"	"90.0"	"2"	"3"	"FALSE"	"FALSE"
"1945"	"6609-41-2"	"DTXSID00216285"	"Benzimidazole, 5,6-dichloro-4-nitro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"[O-][N+](=O)C1=C2N=C(NC2=CC(Cl)=C1Cl)C(F)(F)F"	"[O-][N+](=O)C1C2N=C(NC=2C=C(Cl)C=1Cl)C(F)(F)F"	"?"	"InChI=1S/C8H2Cl2F3N3O2/c9-2-1-3-5(6(4(2)10)16(17)18)15-7(14-3)8(11,12)13/h1H,(H,14,15)"	"DCCVVWRWIMIAHK-UHFFFAOYSA-N"	"91.0"	"2"	"3"	"FALSE"	"FALSE"
"1946"	"24258-94-4"			"Public_CrossChecked"	"COC(C1CCCCC1N1CCCCC1)c1ccc(OC)cc1"	"COC(C1CCCCC1N1CCCCC1)C1C=CC(=CC=1)OC"	"?"	"InChI=1S/C20H31NO2/c1-22-17-12-10-16(11-13-17)20(23-2)18-8-4-5-9-19(18)21-14-6-3-7-15-21/h10-13,18-20H,3-9,14-15H2,1-2H3"	"JCOVTQVCCJCVNG-UHFFFAOYSA-N"	"92.0"	"2"	"3"	"FALSE"	"FALSE"
"1947"	"2984-65-8"			"Public_CrossChecked"	"CCP(=S)(OC)Sc1ccc(C)cc1"	"CC1C=CC(=CC=1)SP(=S)(CC)OC"	"?"	"InChI=1S/C10H15OPS2/c1-4-12(13,11-3)14-10-7-5-9(2)6-8-10/h5-8H,4H2,1-3H3"	"ZFCPXXRQFQJJAA-UHFFFAOYSA-N"	"93.0"	"2"	"3"	"FALSE"	"FALSE"
"1948"	"62441-54-7"	"DTXSID0040331"	"Fentrifanil"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC(=C(NC2=CC(=CC=C2Cl)C(F)(F)F)C(=C1)[N+]([O-])=O)C(F)(F)F"	"[O-][N+](=O)C1=CC(=CC(=C1NC1=CC(=CC=C1Cl)C(F)(F)F)C(F)(F)F)[N+]([O-])=O"	"?"	"InChI=1S/C14H6ClF6N3O4/c15-9-2-1-6(13(16,17)18)3-10(9)22-12-8(14(19,20)21)4-7(23(25)26)5-11(12)24(27)28/h1-5,22H"	"FVJQBZVCJVMBIP-UHFFFAOYSA-N"	"94.0"	"2"	"3"	"FALSE"	"FALSE"
"1949"	"58338-59-3"	"DTXSID3046114"	"Dianiline"	"EPA_DSSTox"	"NC1=CC=C(C=C1)C(=O)NC1=CC=CC=C1N"	"NC1C=CC(=CC=1)C(=O)NC1=CC=CC=C1N"	"?"	"InChI=1S/C13H13N3O/c14-10-7-5-9(6-8-10)13(17)16-12-4-2-1-3-11(12)15/h1-8H,14-15H2,(H,16,17)"	"QGMGHALXLXKCBD-UHFFFAOYSA-N"	"95.0"	"2"	"3"	"FALSE"	"FALSE"
"1950"	"85519-42-2"			"Public_CrossChecked"	"CCOP(=S)(SC(C)CC)N(CC)C=O"	"CC(CC)SP(=S)(OCC)N(CC)C=O"	"?"	"InChI=1S/C9H20NO2PS2/c1-5-9(4)15-13(14,12-7-3)10(6-2)8-11/h8-9H,5-7H2,1-4H3"	"OBZUTJUCLUGNMG-UHFFFAOYSA-N"	"95.9"	"2"	"3"	"FALSE"	"FALSE"
"1951"	"7337-45-3"			"Public_CrossChecked"	"B.CC(C)(C)N"	"CC(C)(C)N"	"B"	"InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3"	"YBRBMKDOPFTVDT-UHFFFAOYSA-N"	"96.0"	"2"	"3"	"FALSE"	"FALSE"
"1952"	"156-56-9"	"DTXSID70878975"	"Hypoglycine A"	"EPA_DSSTox"	"N[C@@H](C[C@H]1CC1=C)C(O)=O"	"C=C1CC1CC(N)C(O)=O"	"?"	"InChI=1S/C7H11NO2/c1-4-2-5(4)3-6(8)7(9)10/h5-6H,1-3,8H2,(H,9,10)"	"OOJZCXFXPZGUBJ-UHFFFAOYSA-N"	"98.0"	"2"	"3"	"FALSE"	"FALSE"
"1953"	"53179-11-6"	"DTXSID6045165"	"Loperamide"	"EPA_DSSTox"	"CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC=C(Cl)C=C1)(C1=CC=CC=C1)C1=CC=CC=C1"	"CN(C)C(=O)C(CCN1CCC(O)(CC1)C1C=CC(Cl)=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3"	"RDOIQAHITMMDAJ-UHFFFAOYSA-N"	"98.0"	"2"	"3"	"FALSE"	"FALSE"
"1954"	"100-43-6"	"DTXSID0051499"	"4-Vinylpyridine"	"EPA_DSSTox"	"C=CC1=CC=NC=C1"	"C=CC1C=CN=CC=1"	"?"	"InChI=1S/C7H7N/c1-2-7-3-5-8-6-4-7/h2-6H,1H2"	"KFDVPJUYSDEJTH-UHFFFAOYSA-N"	"100.0"	"2"	"3"	"FALSE"	"FALSE"
"1955"	"1020-84-4"	"DTXSID1051511"	"2,2,4,4,6,6,8,8-Octamethylcyclotetrasilazane"	"EPA_DSSTox"	"C[Si]1(C)N[Si](C)(C)N[Si](C)(C)N[Si](C)(C)N1"	"C[Si]1(C)N[Si](C)(C)N[Si](C)(C)N[Si](C)(C)N1"	"?"	"InChI=1S/C8H28N4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h9-12H,1-8H3"	"FIADVASZMLCQIF-UHFFFAOYSA-N"	"100.0"	"2"	"3"	"FALSE"	"FALSE"
"1956"	"13286-49-2"	"DTXSID30157819"	"Phosphorodithioic acid, O,O-diethyl S-p-nitrobenzyl ester"	"EPA_DSSTox"	"CCOP(=S)(OCC)SCC1=CC=C(C=C1)[N+]([O-])=O"	"CCOP(=S)(OCC)SCC1=CC=C(C=C1)[N+]([O-])=O"	"?"	"InChI=1S/C11H16NO4PS2/c1-3-15-17(18,16-4-2)19-9-10-5-7-11(8-6-10)12(13)14/h5-8H,3-4,9H2,1-2H3"	"BTGZQLZLKSJTHK-UHFFFAOYSA-N"	"100.0"	"2"	"3"	"FALSE"	"FALSE"
"1957"	"17090-79-8"	"DTXSID4048561"	"Monensin"	"EPA_DSSTox"	"CC[C@]1(CC[C@@H](O1)[C@]1(C)CC[C@]2(C[C@H](O)[C@@H](C)[C@H](O2)[C@@H](C)[C@@H](OC)[C@H](C)C(O)=O)O1)[C@@H]1O[C@H](C[C@@H]1C)[C@H]1O[C@@](O)(CO)[C@H](C)C[C@@H]1C"	"CC1(CCC2(CC(O)C(C)C(O2)C(C)C(OC)C(C)C(O)=O)O1)C1CCC(CC)(O1)C1OC(CC1C)C1OC(O)(CO)C(C)CC1C"	"?"	"InChI=1S/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)"	"GAOZTHIDHYLHMS-UHFFFAOYSA-N"	"100.0"	"2"	"3"	"FALSE"	"FALSE"
"1958"	"1866-15-5"	"DTXSID50883764"	"Ethanaminium, 2-(acetylthio)-N,N,N-trimethyl-, iodide (1:1)"	"EPA_DSSTox"	"[I-].CC(=O)SCC[N+](C)(C)C"	"CC(=O)SCC[N+](C)(C)C"	"[I-]"	"InChI=1S/C7H16NOS/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1"	"GFFIJCYHQYHUHB-UHFFFAOYSA-N"	"100.0"	"2"	"3"	"FALSE"	"FALSE"
"1959"	"23712-05-2"	"DTXSID40178378"	"Fenmetozole hydrochloride"	"EPA_DSSTox"	"Cl.ClC1=C(Cl)C=C(OCC2=NCCN2)C=C1"	"ClC1=CC=C(C=C1Cl)OCC1NCCN=1"	"Cl"	"InChI=1S/C10H10Cl2N2O/c11-8-2-1-7(5-9(8)12)15-6-10-13-3-4-14-10/h1-2,5H,3-4,6H2,(H,13,14)"	"FVHAONUKSUFJKN-UHFFFAOYSA-N"	"100.0"	"2"	"3"	"FALSE"	"FALSE"
"1960"	"29730-81-2"			"Public_CrossChecked"	"Cl.NC1CCc2ccccc2C1"	"NC1CC2C=CC=CC=2CC1"	"Cl"	"InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7,11H2"	"LCGFVWKNXLRFIF-UHFFFAOYSA-N"	"100.0"	"2"	"3"	"FALSE"	"FALSE"
"1961"	"3279-62-7"	"DTXSID40186453"	"Phosphoric acid, 2,4-dichlorophenyl diethyl ester"	"EPA_DSSTox"	"CCOP(=O)(OCC)OC1=C(Cl)C=C(Cl)C=C1"	"CCOP(=O)(OC1C=CC(Cl)=CC=1Cl)OCC"	"?"	"InChI=1S/C10H13Cl2O4P/c1-3-14-17(13,15-4-2)16-10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3"	"TVZVEGZSJDAAKQ-UHFFFAOYSA-N"	"100.0"	"2"	"3"	"FALSE"	"FALSE"
"1962"	"468-28-0"	"DTXSID00875553"	"Lupulon"	"EPA_DSSTox"	"CC(C)CC(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(CC=C(C)C)=C1O"	"CC(C)CC(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(CC=C(C)C)C1=O"	"?"	"InChI=1S/C26H38O4/c1-16(2)9-10-20-23(28)22(21(27)15-19(7)8)25(30)26(24(20)29,13-11-17(3)4)14-12-18(5)6/h9,11-12,19-20,30H,10,13-15H2,1-8H3"	"WYJNATSMJAUNMZ-UHFFFAOYSA-N"	"100.0"	"2"	"3"	"FALSE"	"FALSE"
"1963"	"5286-73-7"			"Public_CrossChecked"	"CCOP(=S)(OCC)OCCS(=O)CC"	"CCS(=O)CCOP(=S)(OCC)OCC"	"?"	"InChI=1S/C8H19O4PS2/c1-4-10-13(14,11-5-2)12-7-8-15(9)6-3/h4-8H2,1-3H3"	"HTXJPMPQYXHDOR-UHFFFAOYSA-N"	"100.0"	"2"	"3"	"FALSE"	"FALSE"
"1964"	"5745-14-2"	"DTXSID60206061"	"Phosphinothioic acid, diethyl-, O-(2,4,5-trichlorophenyl) ester"	"EPA_DSSTox"	"CCP(=S)(CC)OC1=CC(Cl)=C(Cl)C=C1Cl"	"CCP(=S)(CC)OC1C=C(Cl)C(Cl)=CC=1Cl"	"?"	"InChI=1S/C10H12Cl3OPS/c1-3-15(16,4-2)14-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3"	"DOWAVBYFZFKXCW-UHFFFAOYSA-N"	"100.0"	"2"	"3"	"FALSE"	"FALSE"
"1965"	"637-61-6"	"DTXSID6060925"	"2,5-Cyclohexadien-1-one, 4-(chloroimino)-"	"EPA_DSSTox"	"ClN=C1C=CC(=O)C=C1"	"O=C1C=CC(C=C1)=NCl"	"?"	"InChI=1S/C6H4ClNO/c7-8-5-1-3-6(9)4-2-5/h1-4H"	"ITUYMTWJWYTELW-UHFFFAOYSA-N"	"100.0"	"2"	"3"	"FALSE"	"FALSE"
"1966"	"66232-29-9"	"DTXSID50216432"	"Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, hexadecyl ester"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCOC(=O)CC1=CC=C(C=C1)N(CCCl)CCCl"	"CCCCCCCCCCCCCCCCOC(=O)CC1C=CC(=CC=1)N(CCCl)CCCl"	"?"	"InChI=1S/C28H47Cl2NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-33-28(32)25-26-16-18-27(19-17-26)31(22-20-29)23-21-30/h16-19H,2-15,20-25H2,1H3"	"ZWDBEIUHQWOPQY-UHFFFAOYSA-N"	"100.0"	"2"	"3"	"FALSE"	"FALSE"
"1967"	"77693-03-9"			"Public_CrossChecked"	"CC(C(O)=O)c1ccc2Sc3ccc(C)cc3CC(=O)c2c1"	"CC1C=CC2SC3=CC=C(C=C3C(=O)CC=2C=1)C(C)C(O)=O"	"?"	"InChI=1S/C18H16O3S/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)"	"HPAFMJRQXOLETH-UHFFFAOYSA-N"	"100.0"	"2"	"3"	"FALSE"	"FALSE"
"1968"	"84197-36-4"	"DTXSID30233122"	"Phosphorothioic acid, O-(2,4-dichloro-5-nitrophenyl) O,O-diethyl ester"	"EPA_DSSTox"	"CCOP(=S)(OCC)OC1=C(Cl)C=C(Cl)C(=C1)[N+]([O-])=O"	"CCOP(=S)(OC1=CC(=C(Cl)C=C1Cl)[N+]([O-])=O)OCC"	"?"	"InChI=1S/C10H12Cl2NO5PS/c1-3-16-19(20,17-4-2)18-10-6-9(13(14)15)7(11)5-8(10)12/h5-6H,3-4H2,1-2H3"	"BEIVXARPXIPOLT-UHFFFAOYSA-N"	"100.0"	"2"	"3"	"FALSE"	"FALSE"
"1969"	"89427-47-4"	"DTXSID70237705"	"Benzimidazole, 4,7-dichloro-5,6-dimethoxy-2-(trifluoromethyl)-"	"EPA_DSSTox"	"COC1=C(Cl)C2=C(N=C(N2)C(F)(F)F)C(Cl)=C1OC"	"COC1C(OC)=C(Cl)C2NC(=NC=2C=1Cl)C(F)(F)F"	"?"	"InChI=1S/C10H7Cl2F3N2O2/c1-18-7-3(11)5-6(4(12)8(7)19-2)17-9(16-5)10(13,14)15/h1-2H3,(H,16,17)"	"ZOTAAERTGSZERF-UHFFFAOYSA-N"	"100.0"	"2"	"3"	"FALSE"	"FALSE"
"1970"	"60719-84-8"	"DTXSID9022603"	"Amrinone"	"EPA_DSSTox"	"NC1=CC(=CNC1=O)C1=CC=NC=C1"	"NC1=CC(=CNC1=O)C1C=CN=CC=1"	"?"	"InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)"	"RNLQIBCLLYYYFJ-UHFFFAOYSA-N"	"102.0"	"2"	"3"	"FALSE"	"FALSE"
"1971"	"104757-53-1"	"DTXSID8048654"	"Barnidipine hydrochloride"	"EPA_DSSTox"	"Cl.COC(=O)C1=C(C)NC(C)=C([C@H]1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)O[C@H]1CCN(CC2=CC=CC=C2)C1"	"COC(=O)C1C(C(C(=O)OC2CN(CC3C=CC=CC=3)CC2)=C(C)NC=1C)C1=CC(=CC=C1)[N+]([O-])=O"	"Cl"	"InChI=1S/C27H29N3O6/c1-17-23(26(31)35-3)25(20-10-7-11-21(14-20)30(33)34)24(18(2)28-17)27(32)36-22-12-13-29(16-22)15-19-8-5-4-6-9-19/h4-11,14,22,25,28H,12-13,15-16H2,1-3H3"	"VXMOONUMYLCFJD-UHFFFAOYSA-N"	"105.0"	"2"	"3"	"FALSE"	"FALSE"
"1972"	"62382-21-2"			"Public_CrossChecked"	"CSC(C)=NOC(=O)N(C)SN1CCOCC1"	"CN(SN1CCOCC1)C(=O)ON=C(C)SC"	"?"	"InChI=1S/C9H17N3O3S2/c1-8(16-3)10-15-9(13)11(2)17-12-4-6-14-7-5-12/h4-7H2,1-3H3"	"SISHVWPXUJZTSV-UHFFFAOYSA-N"	"105.0"	"2"	"3"	"FALSE"	"FALSE"
"1973"	"67578-42-1"			"Public_CrossChecked"	"CC(C(O)=O)c1ccc2Oc3ccccc3CC(=O)c2c1"	"CC(C(O)=O)C1=CC2=C(C=C1)OC1C=CC=CC=1CC2=O"	"?"	"InChI=1S/C17H14O4/c1-10(17(19)20)11-6-7-16-13(8-11)14(18)9-12-4-2-3-5-15(12)21-16/h2-8,10H,9H2,1H3,(H,19,20)"	"HHMVMSNPBYGGOD-UHFFFAOYSA-N"	"106.0"	"2"	"3"	"FALSE"	"FALSE"
"1974"	"32784-82-0"	"DTXSID1048750"	"Improsulfan tosylate"	"EPA_DSSTox"	"CC1=CC=C(C=C1)S(O)(=O)=O.CS(=O)(=O)OCCCNCCCOS(C)(=O)=O"	"CS(=O)(=O)OCCCNCCCOS(C)(=O)=O"	"CC1=CC=C(S(O)(=O)=O)C=C1"	"InChI=1S/C8H19NO6S2/c1-16(10,11)14-7-3-5-9-6-4-8-15-17(2,12)13/h9H,3-8H2,1-2H3"	"DBIGHPPNXATHOF-UHFFFAOYSA-N"	"108.0"	"2"	"3"	"FALSE"	"FALSE"
"1975"	"27704-46-7"			"Public_CrossChecked"	"COP(=O)(OC)OC(=C(Cl)Cl)c1ccc(Cl)cc1Cl"	"COP(=O)(OC(C1C=CC(Cl)=CC=1Cl)=C(Cl)Cl)OC"	"?"	"InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-9(10(13)14)7-4-3-6(11)5-8(7)12/h3-5H,1-2H3"	"HKVABTLWYHNNBA-UHFFFAOYSA-N"	"109.0"	"2"	"3"	"FALSE"	"FALSE"
"1976"	"18493-21-5"			"Public_CrossChecked"	"CNC(=O)Oc1ccccc1C1OCC(C)(C)O1"	"CNC(=O)OC1C=CC=CC=1C1OCC(C)(C)O1"	"?"	"InChI=1S/C13H17NO4/c1-13(2)8-16-11(18-13)9-6-4-5-7-10(9)17-12(15)14-3/h4-7,11H,8H2,1-3H3,(H,14,15)"	"XUVOEMYDWNRKOM-UHFFFAOYSA-N"	"110.0"	"2"	"3"	"FALSE"	"FALSE"
"1977"	"3460-67-1"	"DTXSID90876716"	"Furonazide"	"EPA_DSSTox"	"C\C(=N\NC(=O)C1=CC=NC=C1)C1=CC=CO1"	"CC(N=NC(=O)C1C=CN=CC=1)C1=CC=CO1"	"?"	"InChI=1S/C12H11N3O2/c1-9(11-3-2-8-17-11)14-15-12(16)10-4-6-13-7-5-10/h2-9H,1H3"	"AIHYHMYCEKGZOH-UHFFFAOYSA-N"	"110.0"	"2"	"3"	"FALSE"	"FALSE"
"1978"	"55689-65-1"	"DTXSID10204219"	"Oxepinac"	"EPA_DSSTox"	"OC(=O)CC1=CC2=C(C=C1)C(=O)C1=CC=CC=C1CO2"	"OC(=O)CC1=CC2OCC3C=CC=CC=3C(=O)C=2C=C1"	"?"	"InChI=1S/C16H12O4/c17-15(18)8-10-5-6-13-14(7-10)20-9-11-3-1-2-4-12(11)16(13)19/h1-7H,8-9H2,(H,17,18)"	"PYIHCGFQQSKYBO-UHFFFAOYSA-N"	"110.0"	"2"	"3"	"FALSE"	"FALSE"
"1979"	"3688-08-2"	"DTXSID20190356"	"Ethylenebis(isothiocyanate)"	"EPA_DSSTox"	"S=C=NCCN=C=S"	"S=C=NCCN=C=S"	"?"	"InChI=1S/C4H4N2S2/c7-3-5-1-2-6-4-8/h1-2H2"	"KVUYSIIZYQUVMT-UHFFFAOYSA-N"	"112.0"	"2"	"3"	"FALSE"	"FALSE"
"1980"	"50-35-1"	"DTXSID9022524"	"Thalidomide"	"EPA_DSSTox"	"O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC=CC=C12"	"O=C1CCC(C(=O)N1)N1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)"	"UEJJHQNACJXSKW-UHFFFAOYSA-N"	"113.0"	"2"	"3"	"FALSE"	"FALSE"
"1981"	"102-82-9"	"DTXSID4026183"	"Tributylamine"	"EPA_DSSTox"	"CCCCN(CCCC)CCCC"	"CCCCN(CCCC)CCCC"	"?"	"InChI=1S/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3"	"IMFACGCPASFAPR-UHFFFAOYSA-N"	"114.0"	"2"	"3"	"FALSE"	"FALSE"
"1982"	"109-75-1"	"DTXSID6021905"	"Allyl cyanide"	"EPA_DSSTox"	"C=CCC#N"	"C=CCC#N"	"?"	"InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2"	"SJNALLRHIVGIBI-UHFFFAOYSA-N"	"115.0"	"2"	"3"	"FALSE"	"FALSE"
"1983"	"125-71-3"	"DTXSID3022908"	"Dextromethorphan"	"EPA_DSSTox"	"[H][C@]12CCCC[C@]11CCN(C)[C@H]2CC2=C1C=C(OC)C=C2"	"COC1C=CC2CC3C4CCCCC4(CCN3C)C=2C=1"	"?"	"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"	"116.0"	"2"	"3"	"FALSE"	"FALSE"
"1984"	"25006-32-0"			"Public_CrossChecked"	"COP(=O)(Oc1cc(Cl)c(Br)cc1Cl)c1ccccc1"	"COP(=O)(OC1C=C(Cl)C(Br)=CC=1Cl)C1C=CC=CC=1"	"?"	"InChI=1S/C13H10BrCl2O3P/c1-18-20(17,9-5-3-2-4-6-9)19-13-8-11(15)10(14)7-12(13)16/h2-8H,1H3"	"MAKUYRKZFGSMMG-UHFFFAOYSA-N"	"118.0"	"2"	"3"	"FALSE"	"FALSE"
"1985"	"117666-89-4"			"Public_CrossChecked"	"CCOC(=S)C=Cc1ccc(cc1)N(C)C"	"CCOC(=S)C=CC1C=CC(=CC=1)N(C)C"	"?"	"InChI=1S/C13H17NOS/c1-4-15-13(16)10-7-11-5-8-12(9-6-11)14(2)3/h5-10H,4H2,1-3H3"	"MBVYEVUWAIDSEL-UHFFFAOYSA-N"	"120.0"	"2"	"3"	"FALSE"	"FALSE"
"1986"	"13256-07-0"	"DTXSID30157617"	"N-Amyl-N-methylnitrosamine"	"EPA_DSSTox"	"CCCCCN(C)N=O"	"CCCCCN(C)N=O"	"?"	"InChI=1S/C6H14N2O/c1-3-4-5-6-8(2)7-9/h3-6H2,1-2H3"	"KSFCDINBDBFFSI-UHFFFAOYSA-N"	"120.0"	"2"	"3"	"FALSE"	"FALSE"
"1987"	"2921-31-5"	"DTXSID2041410"	"2-Chlorohexahydro-4-methyl 4H-1,3,2-benzodioxaphosphorin 2-sulfide"	"EPA_DSSTox"	"CC1OP(Cl)(=S)OC2CCCCC12"	"CC1OP(=S)(Cl)OC2CCCCC21"	"?"	"InChI=1S/C8H14ClO2PS/c1-6-7-4-2-3-5-8(7)11-12(9,13)10-6/h6-8H,2-5H2,1H3"	"HPLOCTDGLFAFAF-UHFFFAOYSA-N"	"120.0"	"2"	"3"	"FALSE"	"FALSE"
"1988"	"540-63-6"	"DTXSID9052187"	"Ethane-1,2-dithiol"	"EPA_DSSTox"	"SCCS"	"SCCS"	"?"	"InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2"	"VYMPLPIFKRHAAC-UHFFFAOYSA-N"	"120.0"	"2"	"3"	"FALSE"	"FALSE"
"1989"	"25999-31-9"	"DTXSID9048485"	"Lasalocid"	"EPA_DSSTox"	"CC[C@H]([C@H]1O[C@@](CC)(C[C@@H]1C)[C@H]1CC[C@](O)(CC)[C@H](C)O1)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCC1=C(C(O)=O)C(O)=C(C)C=C1"	"CC1=CC=C(CCC(C)C(O)C(C)C(=O)C(CC)C2OC(CC2C)(CC)C2CCC(O)(CC)C(C)O2)C(=C1O)C(O)=O"	"?"	"InChI=1S/C34H54O8/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39)"	"BBMULGJBVDDDNI-UHFFFAOYSA-N"	"122.0"	"2"	"3"	"FALSE"	"FALSE"
"1990"	"130365-36-5"			"Public_CrossChecked"	"CCC(C)NP1(=S)OCc2cc(ccc2O1)[N+]([O-])=O"	"CCC(C)NP1(=S)OCC2C=C(C=CC=2O1)[N+]([O-])=O"	"?"	"InChI=1S/C11H15N2O4PS/c1-3-8(2)12-18(19)16-7-9-6-10(13(14)15)4-5-11(9)17-18/h4-6,8H,3,7H2,1-2H3,(H,12,19)"	"QJBGTKGOASBMCL-UHFFFAOYSA-N"	"125.0"	"2"	"3"	"FALSE"	"FALSE"
"1991"	"30560-22-6"			"Public_CrossChecked"	"CCCCCCCCCC(=O)NP(=O)(OC)SC"	"CCCCCCCCCC(=O)NP(=O)(OC)SC"	"?"	"InChI=1S/C12H26NO3PS/c1-4-5-6-7-8-9-10-11-12(14)13-17(15,16-2)18-3/h4-11H2,1-3H3,(H,13,14,15)"	"IEZUPBZYTVEPKU-UHFFFAOYSA-N"	"125.0"	"2"	"3"	"FALSE"	"FALSE"
"1992"	"3761-41-9"	"DTXSID9058076"	"Mesulfenfos"	"EPA_DSSTox"	"COP(=S)(OC)OC1=CC(C)=C(C=C1)S(C)=O"	"CC1=CC(=CC=C1S(C)=O)OP(=S)(OC)OC"	"?"	"InChI=1S/C10H15O4PS2/c1-8-7-9(5-6-10(8)17(4)11)14-15(16,12-2)13-3/h5-7H,1-4H3"	"DLAPIMGBBDILHJ-UHFFFAOYSA-N"	"125.0"	"2"	"3"	"FALSE"	"FALSE"
"1993"	"54473-55-1"			"Public_CrossChecked"	"CCC(=O)NP(=O)(OC)SCC=C"	"CCC(=O)NP(=O)(OC)SCC=C"	"?"	"InChI=1S/C7H14NO3PS/c1-4-6-13-12(10,11-3)8-7(9)5-2/h4H,1,5-6H2,2-3H3,(H,8,9,10)"	"FILACZGQIOMMOX-UHFFFAOYSA-N"	"125.0"	"2"	"3"	"FALSE"	"FALSE"
"1994"	"89198-09-4"	"DTXSID40237570"	"Imazodan hydrochloride"	"EPA_DSSTox"	"Cl.O=C1CCC(=NN1)C1=CC=C(C=C1)N1C=CN=C1"	"O=C1CCC(N=N1)C1C=CC(=CC=1)N1C=NC=C1"	"Cl"	"InChI=1S/C13H12N4O/c18-13-6-5-12(15-16-13)10-1-3-11(4-2-10)17-8-7-14-9-17/h1-4,7-9,12H,5-6H2"	"JIAAKTHUHIUEIT-UHFFFAOYSA-N"	"125.0"	"2"	"3"	"FALSE"	"FALSE"
"1995"	"131-52-2"	"DTXSID4040264"	"Sodium pentachlorophenate"	"EPA_DSSTox"	"[Na+].[O-]C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl"	"OC1C(Cl)=C(Cl)C(Cl)=C(Cl)C=1Cl"	"[Na+]"	"InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H"	"IZUPBVBPLAPZRR-UHFFFAOYSA-N"	"126.0"	"2"	"3"	"FALSE"	"FALSE"
"1996"	"5707-69-7"	"DTXSID3041908"	"Drazoxolon"	"EPA_DSSTox"	"CC1=NOC(=O)\C1=N/NC1=CC=CC=C1Cl"	"CC1=NOC(=O)C1=NNC1C=CC=CC=1Cl"	"?"	"InChI=1S/C10H8ClN3O2/c1-6-9(10(15)16-14-6)13-12-8-5-3-2-4-7(8)11/h2-5,12H,1H3"	"OOTHTARUZHONSW-UHFFFAOYSA-N"	"126.0"	"2"	"3"	"FALSE"	"FALSE"
"1997"	"102771-12-0"	"DTXSID90145499"	"Nerisopam"	"EPA_DSSTox"	"COC1=C(OC)C=C2C(CC(C)=NN=C2C2=CC=C(N)C=C2)=C1"	"CC1CC2C=C(OC)C(=CC=2C(=NN=1)C1=CC=C(N)C=C1)OC"	"?"	"InChI=1S/C18H19N3O2/c1-11-8-13-9-16(22-2)17(23-3)10-15(13)18(21-20-11)12-4-6-14(19)7-5-12/h4-7,9-10H,8,19H2,1-3H3"	"WWQDEXGFYVSTCX-UHFFFAOYSA-N"	"128.0"	"2"	"3"	"FALSE"	"FALSE"
"1998"	"14368-24-2"	"DTXSID1046475"	"Trocimine"	"EPA_DSSTox"	"COC1=CC(=CC(OC)=C1OC)C(=O)N1CCCCCCC1"	"COC1C=C(C=C(OC)C=1OC)C(=O)N1CCCCCCC1"	"?"	"InChI=1S/C17H25NO4/c1-20-14-11-13(12-15(21-2)16(14)22-3)17(19)18-9-7-5-4-6-8-10-18/h11-12H,4-10H2,1-3H3"	"WZSDNEJJUSYNSG-UHFFFAOYSA-N"	"130.0"	"2"	"3"	"FALSE"	"FALSE"
"1999"	"49637-08-3"			"Public_CrossChecked"	"CCCCCC(C)C(C)c1cc(OC(=O)CCCN2CCCCC2)c2C3=C(CCN(CC#C)C3)C(C)(C)Oc2c1"	"CCCCCC(C)C(C)C1=CC2OC(C)(C)C3CCN(CC#C)CC=3C=2C(=C1)OC(=O)CCCN1CCCCC1"	"?"	"InChI=1S/C35H52N2O3/c1-7-9-11-15-26(3)27(4)28-23-31(39-33(38)16-14-21-36-19-12-10-13-20-36)34-29-25-37(18-8-2)22-17-30(29)35(5,6)40-32(34)24-28/h2,23-24,26-27H,7,9-22,25H2,1,3-6H3"	"MCVPMHDADNVRKF-UHFFFAOYSA-N"	"130.0"	"2"	"3"	"FALSE"	"FALSE"
"2000"	"5675-31-0"	"DTXSID70205308"	"2-Fluoro-2-propen-1-ol"	"EPA_DSSTox"	"OCC(F)=C"	"C=C(F)CO"	"?"	"InChI=1S/C3H5FO/c1-3(4)2-5/h5H,1-2H2"	"XEIHLEMBJXRLEI-UHFFFAOYSA-N"	"130.0"	"2"	"3"	"FALSE"	"FALSE"
"2001"	"89796-99-6"	"DTXSID7045522"	"Aceclofenac"	"EPA_DSSTox"	"OC(=O)COC(=O)CC1=C(NC2=C(Cl)C=CC=C2Cl)C=CC=C1"	"OC(=O)COC(=O)CC1C=CC=CC=1NC1C(Cl)=CC=CC=1Cl"	"?"	"InChI=1S/C16H13Cl2NO4/c17-11-5-3-6-12(18)16(11)19-13-7-2-1-4-10(13)8-15(22)23-9-14(20)21/h1-7,19H,8-9H2,(H,20,21)"	"MNIPYSSQXLZQLJ-UHFFFAOYSA-N"	"130.0"	"2"	"3"	"FALSE"	"FALSE"
"2002"	"109581-93-3"			"Public_CrossChecked"	"CO[C@@H]1C[C@@H](CC[C@H]1O)C=C(C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)CC(C)=C[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC"	"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 |t:46|"	"?"	"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/b25-19-,27-21?"	"QJJXYPPXXYFBGM-HFLARRBESA-N"	"134.0"	"2"	"3"	"FALSE"	"FALSE"
"2003"	"31232-27-6"			"Public_CrossChecked"	"[Cl-].C[NH+]1CCC(CC1)=C1c2ccccc2C(O)c2ccccc12"	"CN1CCC(CC1)=C1C2=CC=CC=C2C(O)C2C=CC=CC=21"	"[Cl-]"	"InChI=1S/C20H21NO/c1-21-12-10-14(11-13-21)19-15-6-2-4-8-17(15)20(22)18-9-5-3-7-16(18)19/h2-9,20,22H,10-13H2,1H3"	"HLBRHTFSMMEHPK-UHFFFAOYSA-N"	"135.0"	"2"	"3"	"FALSE"	"FALSE"
"2004"	"61822-36-4"	"DTXSID70210811"	"Diprobutine"	"EPA_DSSTox"	"CCCC(N)(CCC)CCC"	"CCCC(N)(CCC)CCC"	"?"	"InChI=1S/C10H23N/c1-4-7-10(11,8-5-2)9-6-3/h4-9,11H2,1-3H3"	"VQIAWQKBOAUGHE-UHFFFAOYSA-N"	"135.0"	"2"	"3"	"FALSE"	"FALSE"
"2005"	"57-39-6"	"DTXSID5020815"	"Metepa"	"EPA_DSSTox"	"CC1CN1P(=O)(N1CC1C)N1CC1C"	"CC1CN1P(=O)(N1CC1C)N1CC1C"	"?"	"InChI=1S/C9H18N3OP/c1-7-4-10(7)14(13,11-5-8(11)2)12-6-9(12)3/h7-9H,4-6H2,1-3H3"	"AVUYXHYHTTVPRX-UHFFFAOYSA-N"	"136.0"	"2"	"3"	"FALSE"	"FALSE"
"2006"	"3309-77-1"			"Public_CrossChecked"	"COP(=O)(OC)OC(C)=CC(=O)OCc1ccc(Cl)cc1"	"CC(=CC(=O)OCC1C=CC(Cl)=CC=1)OP(=O)(OC)OC"	"?"	"InChI=1S/C13H16ClO6P/c1-10(20-21(16,17-2)18-3)8-13(15)19-9-11-4-6-12(14)7-5-11/h4-8H,9H2,1-3H3"	"WQDBGIDCNHONNW-UHFFFAOYSA-N"	"139.0"	"2"	"3"	"FALSE"	"FALSE"
"2007"	"4715-23-5"			"Public_CrossChecked"	"CC(=O)NC1(O)C2(Cl)C3(Cl)C4(Cl)C5(Cl)C(Cl)(C2(Cl)C3(Cl)C5(Cl)Cl)C14Cl"	"CC(=O)NC1(O)C2(Cl)C3(Cl)C4(Cl)C2(Cl)C2(Cl)C(Cl)(C3(Cl)C21Cl)C4(Cl)Cl"	"?"	"InChI=1S/C12H5Cl10NO2/c1-2(24)23-12(25)9(19)3(13)4(14)8(18)6(16,10(4,12)20)5(9,15)7(3,17)11(8,21)22/h25H,1H3,(H,23,24)"	"NHQCZWZLXALKDB-UHFFFAOYSA-N"	"140.0"	"2"	"3"	"FALSE"	"FALSE"
"2008"	"63886-82-8"			"Public_CrossChecked"	"CCC1OP(Cl)(=S)OC2CCCCC12"	"CCC1OP(=S)(Cl)OC2CCCCC21"	"?"	"InChI=1S/C9H16ClO2PS/c1-2-8-7-5-3-4-6-9(7)12-13(10,14)11-8/h7-9H,2-6H2,1H3"	"CKYVJRNTNYBPED-UHFFFAOYSA-N"	"140.0"	"2"	"3"	"FALSE"	"FALSE"
"2009"	"749-13-3"	"DTXSID4023703"	"Trifluperidol"	"EPA_DSSTox"	"OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC(=CC=C1)C(F)(F)F"	"OC1(CCN(CCCC(=O)C2C=CC(F)=CC=2)CC1)C1C=CC=C(C=1)C(F)(F)F"	"?"	"InChI=1S/C22H23F4NO2/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26/h1,3-4,6-9,15,29H,2,5,10-14H2"	"GPMXUUPHFNMNDH-UHFFFAOYSA-N"	"140.0"	"2"	"3"	"FALSE"	"FALSE"
"2010"	"18877-89-9"	"DTXSID90172245"	"Cyclopropanecarboxylic acid, 2,2,3,3-tetramethyl-, (5-benzyl-3-furyl)methyl ester"	"EPA_DSSTox"	"CC1(C)C(C(=O)OCC2=COC(CC3=CC=CC=C3)=C2)C1(C)C"	"CC1(C)C(C(=O)OCC2C=C(CC3C=CC=CC=3)OC=2)C1(C)C"	"?"	"InChI=1S/C20H24O3/c1-19(2)17(20(19,3)4)18(21)23-13-15-11-16(22-12-15)10-14-8-6-5-7-9-14/h5-9,11-12,17H,10,13H2,1-4H3"	"SSUHZYMJFMBVRM-UHFFFAOYSA-N"	"141.0"	"2"	"3"	"FALSE"	"FALSE"
"2011"	"13078-15-4"			"Public_CrossChecked"	"Cl.Cl.Clc1cccc(c1)N1CCNCC1"	"ClC1=CC(=CC=C1)N1CCNCC1"	"Cl.Cl"	"InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2"	"VHFVKMTVMIZMIK-UHFFFAOYSA-N"	"142.0"	"2"	"3"	"FALSE"	"FALSE"
"2012"	"7070-63-5"	"DTXSID60220969"	"Carbamic acid, methyl-, o-(m-dioxan-2-yl)phenyl ester"	"EPA_DSSTox"	"CNC(=O)OC1=CC=CC=C1C1OCCCO1"	"CNC(=O)OC1=CC=CC=C1C1OCCCO1"	"?"	"InChI=1S/C12H15NO4/c1-13-12(14)17-10-6-3-2-5-9(10)11-15-7-4-8-16-11/h2-3,5-6,11H,4,7-8H2,1H3,(H,13,14)"	"RFZWBUUMFOZYDG-UHFFFAOYSA-N"	"142.0"	"2"	"3"	"FALSE"	"FALSE"
"2013"	"79616-20-9"			"Public_CrossChecked"	"CC(C)(C)CON=CC1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C"	"CC(C)(C)CON=CC1C(C(=O)OC(C#N)C2=CC(=CC=C2)OC2C=CC=CC=2)C1(C)C"	"?"	"InChI=1S/C26H30N2O4/c1-25(2,3)17-30-28-16-21-23(26(21,4)5)24(29)32-22(15-27)18-10-9-13-20(14-18)31-19-11-7-6-8-12-19/h6-14,16,21-23H,17H2,1-5H3"	"CFDLLXHQMCSMQV-UHFFFAOYSA-N"	"143.0"	"2"	"3"	"FALSE"	"FALSE"
"2014"	"62774-96-3"	"DTXSID3021350"	"Tilisolol hydrochloride"	"EPA_DSSTox"	"Cl.CN1C=C(OCC(O)CNC(C)(C)C)C2=C(C=CC=C2)C1=O"	"CN1C=C(OCC(O)CNC(C)(C)C)C2C=CC=CC=2C1=O"	"Cl"	"InChI=1S/C17H24N2O3/c1-17(2,3)18-9-12(20)11-22-15-10-19(4)16(21)14-8-6-5-7-13(14)15/h5-8,10,12,18,20H,9,11H2,1-4H3"	"TWVUMMQUXMYOOH-UHFFFAOYSA-N"	"145.0"	"2"	"3"	"FALSE"	"FALSE"
"2015"	"109021-66-1"			"Public_CrossChecked"	"Cl.COc1cccc(C(=O)NC2CC3CCC(C2)N3Cc2ccccc2)c1OC"	"COC1C(=CC=CC=1OC)C(=O)NC1CC2CCC(C1)N2CC1C=CC=CC=1"	"Cl"	"InChI=1S/C23H28N2O3/c1-27-21-10-6-9-20(22(21)28-2)23(26)24-17-13-18-11-12-19(14-17)25(18)15-16-7-4-3-5-8-16/h3-10,17-19H,11-15H2,1-2H3,(H,24,26)"	"PCIWCYUKRZFCMF-UHFFFAOYSA-N"	"147.0"	"2"	"3"	"FALSE"	"FALSE"
"2016"	"6074-15-3"			"Public_CrossChecked"	"CCSC(=O)Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(C)CC"	"CC(CC)C1C=C(C=C(C=1OC(=O)SCC)[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C13H16N2O6S/c1-4-8(3)10-6-9(14(17)18)7-11(15(19)20)12(10)21-13(16)22-5-2/h6-8H,4-5H2,1-3H3"	"QKKGMEKXCCXHKQ-UHFFFAOYSA-N"	"147.0"	"2"	"3"	"FALSE"	"FALSE"
"2017"	"101-96-2"	"DTXSID7024956"	"N,N'-Bis(1-methylpropyl)-1,4-benzenediamine"	"EPA_DSSTox"	"CCC(C)NC1=CC=C(NC(C)CC)C=C1"	"CC(CC)NC1C=CC(=CC=1)NC(C)CC"	"?"	"InChI=1S/C14H24N2/c1-5-11(3)15-13-7-9-14(10-8-13)16-12(4)6-2/h7-12,15-16H,5-6H2,1-4H3"	"FSWDLYNGJBGFJH-UHFFFAOYSA-N"	"148.0"	"2"	"3"	"FALSE"	"FALSE"
"2018"	"101670-75-1"			"Public_CrossChecked"	"[Cl-].CC[N+]1(CC)CCCO1"	"CC[N+]1(CCCO1)CC"	"[Cl-]"	"InChI=1S/C7H16NO/c1-3-8(4-2)6-5-7-9-8/h3-7H2,1-2H3/q+1"	"SEQLZNYVJNXHTM-UHFFFAOYSA-N"	"150.0"	"2"	"3"	"FALSE"	"FALSE"
"2019"	"1871-57-4"	"DTXSID3022166"	"3-Chloro-2-chloromethyl-1-propene"	"EPA_DSSTox"	"ClCC(=C)CCl"	"C=C(CCl)CCl"	"?"	"InChI=1S/C4H6Cl2/c1-4(2-5)3-6/h1-3H2"	"XJFZOSUFGSANIF-UHFFFAOYSA-N"	"150.0"	"2"	"3"	"FALSE"	"FALSE"
"2020"	"25369-78-2"	"DTXSID80180011"	"2-Benzimidazolinethione, 5-chloro-"	"EPA_DSSTox"	"ClC1=CC2=C(NC(=S)N2)C=C1"	"S=C1NC2C=C(Cl)C=CC=2N1"	"?"	"InChI=1S/C7H5ClN2S/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)"	"ZZIHEYOZBRPWMB-UHFFFAOYSA-N"	"150.0"	"2"	"3"	"FALSE"	"FALSE"
"2021"	"3692-90-8"			"Public_CrossChecked"	"CNC(=O)Oc1cccc(OCC#C)c1"	"CNC(=O)OC1=CC(=CC=C1)OCC#C"	"?"	"InChI=1S/C11H11NO3/c1-3-7-14-9-5-4-6-10(8-9)15-11(13)12-2/h1,4-6,8H,7H2,2H3,(H,12,13)"	"QEAULWXPIOSTCA-UHFFFAOYSA-N"	"150.0"	"2"	"3"	"FALSE"	"FALSE"
"2022"	"61887-08-9"	"DTXSID50210879"	"Propionamide, 2-(p-chlorophenoxy)-N-(3-(diethylamino)propyl)-2-methyl-"	"EPA_DSSTox"	"CCN(CC)CCCNC(=O)C(C)(C)OC1=CC=C(Cl)C=C1"	"CC(C)(OC1C=CC(Cl)=CC=1)C(=O)NCCCN(CC)CC"	"?"	"InChI=1S/C17H27ClN2O2/c1-5-20(6-2)13-7-12-19-16(21)17(3,4)22-15-10-8-14(18)9-11-15/h8-11H,5-7,12-13H2,1-4H3,(H,19,21)"	"QYEAGDCUUIAVGQ-UHFFFAOYSA-N"	"150.0"	"2"	"3"	"FALSE"	"FALSE"
"2023"	"66276-87-7"	"DTXSID30216475"	"Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, decyl ester"	"EPA_DSSTox"	"CCCCCCCCCCOC(=O)CC1=CC=C(C=C1)N(CCCl)CCCl"	"CCCCCCCCCCOC(=O)CC1C=CC(=CC=1)N(CCCl)CCCl"	"?"	"InChI=1S/C22H35Cl2NO2/c1-2-3-4-5-6-7-8-9-18-27-22(26)19-20-10-12-21(13-11-20)25(16-14-23)17-15-24/h10-13H,2-9,14-19H2,1H3"	"VEYPUIZXSXBCGC-UHFFFAOYSA-N"	"150.0"	"2"	"3"	"FALSE"	"FALSE"
"2024"	"99300-57-9"			"Public_CrossChecked"	"CCN(CC)P1(=S)OCc2cc(ccc2O1)[N+]([O-])=O"	"CCN(CC)P1(=S)OCC2C=C(C=CC=2O1)[N+]([O-])=O"	"?"	"InChI=1S/C11H15N2O4PS/c1-3-12(4-2)18(19)16-8-9-7-10(13(14)15)5-6-11(9)17-18/h5-7H,3-4,8H2,1-2H3"	"RFKJUUCIILYXBE-UHFFFAOYSA-N"	"150.0"	"2"	"3"	"FALSE"	"FALSE"
"2025"	"3871-82-7"			"Public_CrossChecked"	"Cl.Cc1ccc(cc1)C1(O)CCN(CCCC(=O)c2ccc(F)cc2)CC1"	"CC1C=CC(=CC=1)C1(O)CCN(CCCC(=O)C2C=CC(F)=CC=2)CC1"	"Cl"	"InChI=1S/C22H26FNO2/c1-17-4-8-19(9-5-17)22(26)12-15-24(16-13-22)14-2-3-21(25)18-6-10-20(23)11-7-18/h4-11,26H,2-3,12-16H2,1H3"	"AGAHNABIDCTLHW-UHFFFAOYSA-N"	"152.0"	"2"	"3"	"FALSE"	"FALSE"
"2026"	"104606-13-5"	"DTXSID40146613"	"R 56865"	"EPA_DSSTox"	"CN(C1CCN(CCCCOC2=CC=C(F)C=C2)CC1)C1=NC2=CC=CC=C2S1"	"CN(C1CCN(CCCCOC2C=CC(F)=CC=2)CC1)C1=NC2C=CC=CC=2S1"	"?"	"InChI=1S/C23H28FN3OS/c1-26(23-25-21-6-2-3-7-22(21)29-23)19-12-15-27(16-13-19)14-4-5-17-28-20-10-8-18(24)9-11-20/h2-3,6-11,19H,4-5,12-17H2,1H3"	"PZPXREFPAFDHNG-UHFFFAOYSA-N"	"154.0"	"2"	"3"	"FALSE"	"FALSE"
"2027"	"111-69-3"	"DTXSID3021936"	"Hexanedinitrile"	"EPA_DSSTox"	"N#CCCCCC#N"	"N#CCCCCC#N"	"?"	"InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2"	"BTGRAWJCKBQKAO-UHFFFAOYSA-N"	"155.0"	"2"	"3"	"FALSE"	"FALSE"
"2028"	"493-92-5"			"Public_CrossChecked"	"CCCC(Cc1ccccc1)N1CCCC1"	"CCCC(CC1C=CC=CC=1)N1CCCC1"	"?"	"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"	"157.0"	"2"	"3"	"FALSE"	"FALSE"
"2029"	"1184-64-1"	"DTXSID6034471"	"Copper(II) carbonate"	"EPA_DSSTox"	"[Cu++].[O-]C([O-])=O"	"OC(O)=O"	"[Cu+2]"	"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)"	"BVKZGUZCCUSVTD-UHFFFAOYSA-N"	"159.0"	"2"	"3"	"FALSE"	"FALSE"
"2030"	"115-93-5"	"DTXSID8041828"	"Cythioate"	"EPA_DSSTox"	"COP(=S)(OC)OC1=CC=C(C=C1)S(N)(=O)=O"	"COP(=S)(OC1C=CC(=CC=1)S(N)(=O)=O)OC"	"?"	"InChI=1S/C8H12NO5PS2/c1-12-15(16,13-2)14-7-3-5-8(6-4-7)17(9,10)11/h3-6H,1-2H3,(H2,9,10,11)"	"BSBSDQUZDZXGFN-UHFFFAOYSA-N"	"160.0"	"2"	"3"	"FALSE"	"FALSE"
"2031"	"156-08-1"	"DTXSID4022656"	"Benzphetamine"	"EPA_DSSTox"	"C[C@@H](CC1=CC=CC=C1)N(C)CC1=CC=CC=C1"	"CC(CC1C=CC=CC=1)N(C)CC1C=CC=CC=1"	"?"	"InChI=1S/C17H21N/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3"	"YXKTVDFXDRQTKV-UHFFFAOYSA-N"	"160.0"	"2"	"3"	"FALSE"	"FALSE"
"2032"	"2346-99-8"			"Public_CrossChecked"	"COP(=O)(OC1CCCCC1)Sc1ccc(Cl)cc1"	"COP(=O)(OC1CCCCC1)SC1=CC=C(Cl)C=C1"	"?"	"InChI=1S/C13H18ClO3PS/c1-16-18(15,17-12-5-3-2-4-6-12)19-13-9-7-11(14)8-10-13/h7-10,12H,2-6H2,1H3"	"NDRKNOADOZHUQR-UHFFFAOYSA-N"	"160.0"	"2"	"3"	"FALSE"	"FALSE"
"2033"	"5411-22-3"	"DTXSID6074837"	"Benzphetamine hydrochloride"	"EPA_DSSTox"	"Cl.C[C@@H](CC1=CC=CC=C1)N(C)CC1=CC=CC=C1"	"CC(CC1C=CC=CC=1)N(C)CC1C=CC=CC=1"	"Cl"	"InChI=1S/C17H21N/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3"	"YXKTVDFXDRQTKV-UHFFFAOYSA-N"	"160.0"	"2"	"3"	"FALSE"	"FALSE"
"2034"	"117-39-5"	"DTXSID4021218"	"Quercetin"	"EPA_DSSTox"	"OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC(O)=C(O)C=C1"	"OC1C=C(O)C2C(=O)C(O)=C(OC=2C=1)C1=CC(O)=C(O)C=C1"	"?"	"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H"	"REFJWTPEDVJJIY-UHFFFAOYSA-N"	"161.0"	"2"	"3"	"FALSE"	"FALSE"
"2035"	"16339-18-7"	"DTXSID10167577"	"Acetonitrile, nitrosiminodi- (8CI)"	"EPA_DSSTox"	"O=NN(CC#N)CC#N"	"N#CCN(CC#N)N=O"	"?"	"InChI=1S/C4H4N4O/c5-1-3-8(7-9)4-2-6/h3-4H2"	"KQKDJPIPZMNIDQ-UHFFFAOYSA-N"	"163.0"	"2"	"3"	"FALSE"	"FALSE"
"2036"	"5728-52-9"	"DTXSID0045389"	"Felbinac"	"EPA_DSSTox"	"OC(=O)CC1=CC=C(C=C1)C1=CC=CC=C1"	"OC(=O)CC1C=CC(=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)"	"QRZAKQDHEVVFRX-UHFFFAOYSA-N"	"164.0"	"2"	"3"	"FALSE"	"FALSE"
"2037"	"17256-39-2"	"DTXSID40884886"	"2-Propanamine, 1-chloro-N,N-dimethyl-, hydrochloride (1:1)"	"EPA_DSSTox"	"Cl.CC(CCl)N(C)C"	"CC(CCl)N(C)C"	"Cl"	"InChI=1S/C5H12ClN/c1-5(4-6)7(2)3/h5H,4H2,1-3H3"	"ZMLUHYJUTIZTOJ-UHFFFAOYSA-N"	"166.0"	"2"	"3"	"FALSE"	"FALSE"
"2038"	"116-17-6"	"DTXSID9044372"	"Tripropan-2-yl phosphite"	"EPA_DSSTox"	"CC(C)OP(OC(C)C)OC(C)C"	"CC(C)OP(OC(C)C)OC(C)C"	"?"	"InChI=1S/C9H21O3P/c1-7(2)10-13(11-8(3)4)12-9(5)6/h7-9H,1-6H3"	"SJHCUXCOGGKFAI-UHFFFAOYSA-N"	"167.0"	"2"	"3"	"FALSE"	"FALSE"
"2039"	"538-02-3"			"Public_CrossChecked"	"Cl.CNC(C)CC1CCCC1"	"CC(CC1CCCC1)NC"	"Cl"	"InChI=1S/C9H19N/c1-8(10-2)7-9-5-3-4-6-9/h8-10H,3-7H2,1-2H3"	"HFXKQSZZZPGLKQ-UHFFFAOYSA-N"	"169.0"	"2"	"3"	"FALSE"	"FALSE"
"2040"	"305-85-1"	"DTXSID4046573"	"2,6-Diiodo-4-nitrophenol"	"EPA_DSSTox"	"OC1=C(I)C=C(C=C1I)[N+]([O-])=O"	"[O-][N+](=O)C1=CC(I)=C(O)C(I)=C1"	"?"	"InChI=1S/C6H3I2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H"	"UVGTXNPVQOQFQW-UHFFFAOYSA-N"	"170.0"	"2"	"3"	"FALSE"	"FALSE"
"2041"	"60676-83-7"	"DTXSID40209479"	"Benzamide, 4-amino-N-cyclopropyl-3,5-dichloro-"	"EPA_DSSTox"	"NC1=C(Cl)C=C(C=C1Cl)C(=O)NC1CC1"	"NC1C(Cl)=CC(=CC=1Cl)C(=O)NC1CC1"	"?"	"InChI=1S/C10H10Cl2N2O/c11-7-3-5(4-8(12)9(7)13)10(15)14-6-1-2-6/h3-4,6H,1-2,13H2,(H,14,15)"	"ZOEINVZGXJXJIR-UHFFFAOYSA-N"	"170.0"	"2"	"3"	"FALSE"	"FALSE"
"2042"	"99422-01-2"	"DTXSID40869335"	"1,3-Cyclohexanedione, 5-[2-(ethylthio)propyl]-2-(1-oxopropyl)-"	"EPA_DSSTox"	"CCSC(C)CC1CC(=O)C(C(=O)CC)C(=O)C1"	"CC(CC1CC(=O)C(C(=O)CC)C(=O)C1)SCC"	"?"	"InChI=1S/C14H22O3S/c1-4-11(15)14-12(16)7-10(8-13(14)17)6-9(3)18-5-2/h9-10,14H,4-8H2,1-3H3"	"MMMFVTMCUXGRHD-UHFFFAOYSA-N"	"170.0"	"2"	"3"	"FALSE"	"FALSE"
"2043"	"126-61-4"	"DTXSID60155040"	"Phosphonic acid, 1-(hydroxyvinyl)-, dimethyl ester, diethyl phosphate"	"EPA_DSSTox"	"CCOP(=O)(OCC)OC(=C)P(=O)(OC)OC"	"COP(=O)(OC)C(=C)OP(=O)(OCC)OCC"	"?"	"InChI=1S/C8H18O7P2/c1-6-13-17(10,14-7-2)15-8(3)16(9,11-4)12-5/h3,6-7H2,1-2,4-5H3"	"FJJRBYAELMSSPD-UHFFFAOYSA-N"	"173.0"	"2"	"3"	"FALSE"	"FALSE"
"2044"	"15589-31-8"	"DTXSID8057984"	"Terallethrin"	"EPA_DSSTox"	"CC1=C(CC=C)C(=O)CC1OC(=O)C1C(C)(C)C1(C)C"	"CC1C(CC(=O)C=1CC=C)OC(=O)C1C(C)(C)C1(C)C"	"?"	"InChI=1S/C17H24O3/c1-7-8-11-10(2)13(9-12(11)18)20-15(19)14-16(3,4)17(14,5)6/h7,13-14H,1,8-9H2,2-6H3"	"MIZYPRIEDMSCAC-UHFFFAOYSA-N"	"174.0"	"2"	"3"	"FALSE"	"FALSE"
"2045"	"195252-43-8"	"DTXSID80173180"	"Formamide, N-cyclopropyl-N-(9-cyclopropyl-9H-purin-6-yl)-"	"EPA_DSSTox"	"O=CN(C1CC1)C1=NC=NC2=C1N=CN2C1CC1"	"O=CN(C1CC1)C1=NC=NC2=C1N=CN2C1CC1"	"?"	"InChI=1S/C12H13N5O/c18-7-17(9-3-4-9)12-10-11(13-5-14-12)16(6-15-10)8-1-2-8/h5-9H,1-4H2"	"PGFPDJZKPKEIIC-UHFFFAOYSA-N"	"175.0"	"2"	"3"	"FALSE"	"FALSE"
"2046"	"112964-99-5"			"Public_CrossChecked"	"OC(=O)C=CC(O)=O.Nc1c2C(O)CCCc2nc2ccccc12"	"NC1C2C(O)CCCC=2N=C2C=CC=CC2=1"	"C(=C/C(=O)O)/C(=O)O"	"InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)"	"HLVVITIHAZBPKB-UHFFFAOYSA-N"	"176.0"	"2"	"3"	"FALSE"	"FALSE"
"2047"	"5581-40-8"			"Public_CrossChecked"	"CN(C)C1CC(c2ccccc12)c1ccccc1"	"CN(C)C1CC(C2=CC=CC=C21)C1C=CC=CC=1"	"?"	"InChI=1S/C17H19N/c1-18(2)17-12-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17/h3-11,16-17H,12H2,1-2H3"	"GAVBHVRHVQMWEI-UHFFFAOYSA-N"	"176.0"	"2"	"3"	"FALSE"	"FALSE"
"2048"	"50765-92-9"			"Public_CrossChecked"	"CC(C)=CCC(CCN1CCOCC1)(C(N)=O)c1cccc2ccccc12"	"CC(C)=CCC(CCN1CCOCC1)(C(N)=O)C1C=CC=C2C=CC=CC2=1"	"?"	"InChI=1S/C23H30N2O2/c1-18(2)10-11-23(22(24)26,12-13-25-14-16-27-17-15-25)21-9-5-7-19-6-3-4-8-20(19)21/h3-10H,11-17H2,1-2H3,(H2,24,26)"	"IHFBWHHINXWEGS-UHFFFAOYSA-N"	"177.0"	"2"	"3"	"FALSE"	"FALSE"
"2049"	"1121-24-0"	"DTXSID80149906"	"Phenol, o-mercapto- (6CI,7CI,8CI)"	"EPA_DSSTox"	"OC1=CC=CC=C1S"	"OC1C=CC=CC=1S"	"?"	"InChI=1S/C6H6OS/c7-5-3-1-2-4-6(5)8/h1-4,7-8H"	"VMKYTRPNOVFCGZ-UHFFFAOYSA-N"	"178.0"	"2"	"3"	"FALSE"	"FALSE"
"2050"	"2767-80-8"	"DTXSID0062634"	"Methanol, phosphinidynetris-"	"EPA_DSSTox"	"OCP(CO)CO"	"OCP(CO)CO"	"?"	"InChI=1S/C3H9O3P/c4-1-7(2-5)3-6/h4-6H,1-3H2"	"JMXMXKRNIYCNRV-UHFFFAOYSA-N"	"178.0"	"2"	"3"	"FALSE"	"FALSE"
"2051"	"6425-41-8"	"DTXSID30214471"	"Morpholine, 4-cyclohexyl-"	"EPA_DSSTox"	"C1CCC(CC1)N1CCOCC1"	"C1CN(CCO1)C1CCCCC1"	"?"	"InChI=1S/C10H19NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h10H,1-9H2"	"BRKHZWFIIVVNTA-UHFFFAOYSA-N"	"178.0"	"2"	"3"	"FALSE"	"FALSE"
"2052"	"467-60-7"	"DTXSID2023486"	"Pipradrol"	"EPA_DSSTox"	"OC(C1CCCCN1)(C1=CC=CC=C1)C1=CC=CC=C1"	"OC(C1CCCCN1)(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"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"	"180.0"	"2"	"3"	"FALSE"	"FALSE"
"2053"	"638-56-2"	"DTXSID90213248"	"Tetraglycol dichloride"	"EPA_DSSTox"	"ClCCOCCOCCOCCCl"	"ClCCOCCOCCOCCCl"	"?"	"InChI=1S/C8H16Cl2O3/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-8H2"	"ZCFRYTWBXNQVOW-UHFFFAOYSA-N"	"180.0"	"2"	"3"	"FALSE"	"FALSE"
"2054"	"33005-95-7"	"DTXSID5023665"	"Tiaprofenic acid"	"EPA_DSSTox"	"CC(C(O)=O)C1=CC=C(S1)C(=O)C1=CC=CC=C1"	"CC(C(O)=O)C1=CC=C(S1)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)"	"GUHPRPJDBZHYCJ-UHFFFAOYSA-N"	"181.0"	"2"	"3"	"FALSE"	"FALSE"
"2055"	"52432-72-1"	"DTXSID4046608"	"Oxeladin citrate"	"EPA_DSSTox"	"OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CCOCCOC(=O)C(CC)(CC)C1=CC=CC=C1"	"CCN(CCOCCOC(=O)C(CC)(CC)C1C=CC=CC=1)CC"	"C(C(O)=O)(CC(O)=O)(O)CC(=O)O"	"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"	"183.0"	"2"	"3"	"FALSE"	"FALSE"
"2056"	"40806-03-9"			"Public_CrossChecked"	"COP(=O)(OC)OC(Br)C(Br)(Br)Br"	"COP(=O)(OC(Br)C(Br)(Br)Br)OC"	"?"	"InChI=1S/C4H7Br4O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3"	"NNJOGRJSKIPHRS-UHFFFAOYSA-N"	"184.0"	"2"	"3"	"FALSE"	"FALSE"
"2057"	"146-54-3"	"DTXSID9023704"	"Triflupromazine"	"EPA_DSSTox"	"CN(C)CCCN1C2=CC=CC=C2SC2=CC=C(C=C12)C(F)(F)F"	"CN(C)CCCN1C2C=CC=CC=2SC2C=CC(=CC1=2)C(F)(F)F"	"?"	"InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3"	"XSCGXQMFQXDFCW-UHFFFAOYSA-N"	"185.0"	"2"	"3"	"FALSE"	"FALSE"
"2058"	"34552-83-5"	"DTXSID00880006"	"Loperamide hydrochloride"	"EPA_DSSTox"	"Cl.CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC=C(Cl)C=C1)(C1=CC=CC=C1)C1=CC=CC=C1"	"CN(C)C(=O)C(CCN1CCC(O)(CC1)C1C=CC(Cl)=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3"	"RDOIQAHITMMDAJ-UHFFFAOYSA-N"	"185.0"	"2"	"3"	"FALSE"	"FALSE"
"2059"	"65009-35-0"			"Public_CrossChecked"	"Cl.CNC(=N)NC(=O)Nc1c(C)cccc1C"	"CNC(=N)NC(=O)NC1C(C)=CC=CC=1C"	"Cl"	"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"	"187.0"	"2"	"3"	"FALSE"	"FALSE"
"2060"	"2438-32-6"			"Public_CrossChecked"	"OC(=O)C=CC(O)=O.CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1"	"CN(C)CCC(C1C=CC=CN=1)C1C=CC(Cl)=CC=1"	"C(=C/C(=O)O)/C(=O)O"	"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"	"188.0"	"2"	"3"	"FALSE"	"FALSE"
"2061"	"130-15-4"	"DTXSID5040704"	"1,4-Naphthoquinone"	"EPA_DSSTox"	"O=C1C=CC(=O)C2=C1C=CC=C2"	"O=C1C=CC(=O)C2C=CC=CC1=2"	"?"	"InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H"	"FRASJONUBLZVQX-UHFFFAOYSA-N"	"190.0"	"2"	"3"	"FALSE"	"FALSE"
"2062"	"33267-71-9"			"Public_CrossChecked"	"CCOC(C1=NCC(C)(C)CN1)c1ccc(Cl)cc1"	"CCOC(C1NCC(C)(C)CN=1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C15H21ClN2O/c1-4-19-13(11-5-7-12(16)8-6-11)14-17-9-15(2,3)10-18-14/h5-8,13H,4,9-10H2,1-3H3,(H,17,18)"	"NKZQEKLNOVBFRX-UHFFFAOYSA-N"	"190.0"	"2"	"3"	"FALSE"	"FALSE"
"2063"	"51356-17-3"	"DTXSID20199364"	"Phosphorodithioic acid, O,O-diisopropyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-3(2H)-pyridazinone"	"EPA_DSSTox"	"CC(C)OP(=S)(OC(C)C)SCN1N=C(Cl)C=CC1=O"	"CC(C)OP(=S)(OC(C)C)SCN1N=C(Cl)C=CC1=O"	"?"	"InChI=1S/C11H18ClN2O3PS2/c1-8(2)16-18(19,17-9(3)4)20-7-14-11(15)6-5-10(12)13-14/h5-6,8-9H,7H2,1-4H3"	"LRGQAAOEEHNMKX-UHFFFAOYSA-N"	"190.0"	"2"	"3"	"FALSE"	"FALSE"
"2064"	"64118-84-9"	"DTXSID40214326"	"4'-Hydroxydiclofenac"	"EPA_DSSTox"	"OC(=O)CC1=CC=CC=C1NC1=C(Cl)C=C(O)C=C1Cl"	"OC1C=C(Cl)C(NC2=CC=CC=C2CC(O)=O)=C(Cl)C=1"	"?"	"InChI=1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20)"	"KGVXVPRLBMWZLG-UHFFFAOYSA-N"	"190.0"	"2"	"3"	"FALSE"	"FALSE"
"2065"	"684-16-2"	"DTXSID9043778"	"Hexafluoroacetone"	"EPA_DSSTox"	"FC(F)(F)C(=O)C(F)(F)F"	"O=C(C(F)(F)F)C(F)(F)F"	"?"	"InChI=1S/C3F6O/c4-2(5,6)1(10)3(7,8)9"	"VBZWSGALLODQNC-UHFFFAOYSA-N"	"191.0"	"2"	"3"	"FALSE"	"FALSE"
"2066"	"13936-01-1"	"DTXSID50878630"	"1H-INDENE-1,3(2H)-DIONE, 2-[3,5-BIS(1,1-DIMETHYL"	"EPA_DSSTox"	"CC(C)(C)C1=CC(=CC(=C1)C1C(=O)C2=CC=CC=C2C1=O)C(C)(C)C"	"CC(C)(C)C1C=C(C=C(C=1)C(C)(C)C)C1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C23H26O2/c1-22(2,3)15-11-14(12-16(13-15)23(4,5)6)19-20(24)17-9-7-8-10-18(17)21(19)25/h7-13,19H,1-6H3"	"ITVMYFGQCMFWIN-UHFFFAOYSA-N"	"194.0"	"2"	"3"	"FALSE"	"FALSE"
"2067"	"31895-22-4"	"DTXSID0047036"	"Thiocyclam oxalate"	"EPA_DSSTox"	"OC(=O)C(O)=O.CN(C)C1CSSSC1"	"CN(C)C1CSSSC1"	"C(C(=O)O)(=O)O"	"InChI=1S/C5H11NS3/c1-6(2)5-3-7-9-8-4-5/h5H,3-4H2,1-2H3"	"DNVLJEWNNDHELH-UHFFFAOYSA-N"	"195.0"	"2"	"3"	"FALSE"	"FALSE"
"2068"	"33386-08-2"	"DTXSID1037193"	"Buspirone hydrochloride"	"EPA_DSSTox"	"Cl.O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)C1=NC=CC=N1"	"O=C1CC2(CC(=O)N1CCCCN1CCN(CC1)C1N=CC=CN=1)CCCC2"	"Cl"	"InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2"	"QWCRAEMEVRGPNT-UHFFFAOYSA-N"	"196.0"	"2"	"3"	"FALSE"	"FALSE"
"2069"	"317-83-9"	"DTXSID8074990"	"2-Cyclohexyl-4,6-dinitrophenol dicyclohexylamine salt"	"EPA_DSSTox"	"C1CCC(CC1)NC1CCCCC1.OC1=C(C=C(C=C1C1CCCCC1)[N+]([O-])=O)[N+]([O-])=O"	"[O-][N+](=O)C1=CC(=C(O)C(=C1)C1CCCCC1)[N+]([O-])=O"	"C1(NC2CCCCC2)CCCCC1"	"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"	"198.0"	"2"	"3"	"FALSE"	"FALSE"
"2070"	"100-75-4"	"DTXSID8021060"	"N-Nitrosopiperidine"	"EPA_DSSTox"	"O=NN1CCCCC1"	"O=NN1CCCCC1"	"?"	"InChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2"	"UWSDONTXWQOZFN-UHFFFAOYSA-N"	"200.0"	"2"	"3"	"FALSE"	"FALSE"
"2071"	"1113-14-0"	"DTXSID3042479"	"trans-1,2-Bis(propylsulfonyl)ethylene"	"EPA_DSSTox"	"CCCS(=O)(=O)\C=C\S(=O)(=O)CCC"	"CCCS(=O)(=O)C=CS(=O)(=O)CCC"	"?"	"InChI=1S/C8H16O4S2/c1-3-5-13(9,10)7-8-14(11,12)6-4-2/h7-8H,3-6H2,1-2H3"	"YTPMCWYIRHLEGM-UHFFFAOYSA-N"	"200.0"	"2"	"3"	"FALSE"	"FALSE"
"2072"	"135-23-9"	"DTXSID0020818"	"Methapyrilene hydrochloride"	"EPA_DSSTox"	"Cl.CN(C)CCN(CC1=CC=CS1)C1=NC=CC=C1"	"CN(C)CCN(CC1=CC=CS1)C1=CC=CC=N1"	"Cl"	"InChI=1S/C14H19N3S/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14/h3-8,11H,9-10,12H2,1-2H3"	"HNJJXZKZRAWDPF-UHFFFAOYSA-N"	"200.0"	"2"	"3"	"FALSE"	"FALSE"
"2073"	"14557-50-7"			"Public_CrossChecked"	"CCOC(=O)C(CCN(CC)CC)(CC=C)c1ccccc1"	"CCOC(=O)C(CCN(CC)CC)(CC=C)C1C=CC=CC=1"	"?"	"InChI=1S/C19H29NO2/c1-5-14-19(18(21)22-8-4,15-16-20(6-2)7-3)17-12-10-9-11-13-17/h5,9-13H,1,6-8,14-16H2,2-4H3"	"QSZYQIVLOSDTSM-UHFFFAOYSA-N"	"200.0"	"2"	"3"	"FALSE"	"FALSE"
"2074"	"1614-30-8"	"DTXSID00167142"	"Urea, 1,1'-(4,4'-biphenylyene)bis(2-thio-"	"EPA_DSSTox"	"NC(=S)NC1=CC=C(C=C1)C1=CC=C(NC(N)=S)C=C1"	"NC(=S)NC1C=CC(=CC=1)C1C=CC(=CC=1)NC(N)=S"	"?"	"InChI=1S/C14H14N4S2/c15-13(19)17-11-5-1-9(2-6-11)10-3-7-12(8-4-10)18-14(16)20/h1-8H,(H3,15,17,19)(H3,16,18,20)"	"FAOJSYHCXVRQKK-UHFFFAOYSA-N"	"200.0"	"2"	"3"	"FALSE"	"FALSE"
"2075"	"2051-79-8"	"DTXSID1038799"	"N4,N4-Diethyl-2-methylbenzene-1,4-diamine hydrochloride"	"EPA_DSSTox"	"Cl.CCN(CC)C1=CC=C(N)C(C)=C1"	"CC1=CC(=CC=C1N)N(CC)CC"	"Cl"	"InChI=1S/C11H18N2/c1-4-13(5-2)10-6-7-11(12)9(3)8-10/h6-8H,4-5,12H2,1-3H3"	"XBTWVJKPQPQTDW-UHFFFAOYSA-N"	"200.0"	"2"	"3"	"FALSE"	"FALSE"
"2076"	"2550-75-6"	"DTXSID6041767"	"Chlorbicyclen"	"EPA_DSSTox"	"ClCC1C(CCl)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl"	"ClC1(Cl)C2(Cl)C(CCl)C(CCl)C1(Cl)C(Cl)=C2Cl"	"?"	"InChI=1S/C9H6Cl8/c10-1-3-4(2-11)8(15)6(13)5(12)7(3,14)9(8,16)17/h3-4H,1-2H2"	"FUZORIOHZSVKAW-UHFFFAOYSA-N"	"200.0"	"2"	"3"	"FALSE"	"FALSE"
"2077"	"28895-91-2"	"DTXSID60183085"	"Urea, 3-acetyl-1-methyl-1-nitroso-"	"EPA_DSSTox"	"CN(N=O)C(=O)NC(C)=O"	"CC(=O)NC(=O)N(C)N=O"	"?"	"InChI=1S/C4H7N3O3/c1-3(8)5-4(9)7(2)6-10/h1-2H3,(H,5,8,9)"	"KCVSUTDQYYYPFT-UHFFFAOYSA-N"	"200.0"	"2"	"3"	"FALSE"	"FALSE"
"2078"	"3426-58-2"			"Public_CrossChecked"	"Cn1cc(CCc2cc[n+](CCC[N+](C)(C)C)cc2)c2ccccc12"	"CN1C=C(CCC2C=C[N+](CCC[N+](C)(C)C)=CC=2)C2=CC=CC=C12"	"?"	"InChI=1S/C22H31N3/c1-23-18-20(21-8-5-6-9-22(21)23)11-10-19-12-15-24(16-13-19)14-7-17-25(2,3)4/h5-6,8-9,12-13,15-16,18H,7,10-11,14,17H2,1-4H3/q+2"	"ADCSYVXJAPHBFY-UHFFFAOYSA-N"	"200.0"	"2"	"3"	"FALSE"	"FALSE"
"2079"	"4062-99-1"	"DTXSID00193628"	"Carbamic acid, N-methyl-, o-(allyloxy)phenyl ester"	"EPA_DSSTox"	"CNC(=O)OC1=CC=CC=C1OCC=C"	"CNC(=O)OC1C=CC=CC=1OCC=C"	"?"	"InChI=1S/C11H13NO3/c1-3-8-14-9-6-4-5-7-10(9)15-11(13)12-2/h3-7H,1,8H2,2H3,(H,12,13)"	"RRCXOIBMSKRASZ-UHFFFAOYSA-N"	"200.0"	"2"	"3"	"FALSE"	"FALSE"
"2080"	"446-35-5"	"DTXSID0032869"	"2,4-Difluoronitrobenzene"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC=C(F)C=C1F"	"[O-][N+](=O)C1=CC=C(F)C=C1F"	"?"	"InChI=1S/C6H3F2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H"	"RJXOVESYJFXCGI-UHFFFAOYSA-N"	"200.0"	"2"	"3"	"FALSE"	"FALSE"
"2081"	"51-05-8"	"DTXSID1044435"	"Procaine hydrochloride"	"EPA_DSSTox"	"Cl.CCN(CC)CCOC(=O)C1=CC=C(N)C=C1"	"CCN(CCOC(=O)C1C=CC(N)=CC=1)CC"	"Cl"	"InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3"	"MFDFERRIHVXMIY-UHFFFAOYSA-N"	"200.0"	"2"	"3"	"FALSE"	"FALSE"
"2082"	"52718-96-4"	"DTXSID4068793"	"Propanedinitrile, (3-methoxy-2-propenylidene)-"	"EPA_DSSTox"	"COC=CC=C(C#N)C#N"	"COC=CC=C(C#N)C#N"	"?"	"InChI=1S/C7H6N2O/c1-10-4-2-3-7(5-8)6-9/h2-4H,1H3"	"MALUIHGUZRXIGV-UHFFFAOYSA-N"	"200.0"	"2"	"3"	"FALSE"	"FALSE"
"2083"	"551-06-4"	"DTXSID8025703"	"alpha-Naphylisothiocyanate"	"EPA_DSSTox"	"S=C=NC1=CC=CC2=CC=CC=C12"	"S=C=NC1=CC=CC2C=CC=CC=21"	"?"	"InChI=1S/C11H7NS/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H"	"JBDOSUUXMYMWQH-UHFFFAOYSA-N"	"200.0"	"2"	"3"	"FALSE"	"FALSE"
"2084"	"614-10-8"			"Public_CrossChecked"	"Cc1ccccc1NC(=S)NN"	"CC1C=CC=CC=1NC(=S)NN"	"?"	"InChI=1S/C8H11N3S/c1-6-4-2-3-5-7(6)10-8(12)11-9/h2-5H,9H2,1H3,(H2,10,11,12)"	"QCMQZMITIOLXFZ-UHFFFAOYSA-N"	"200.0"	"2"	"3"	"FALSE"	"FALSE"
"2085"	"66232-30-2"	"DTXSID10216433"	"Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, octadecyl ester"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCCOC(=O)CC1=CC=C(C=C1)N(CCCl)CCCl"	"CCCCCCCCCCCCCCCCCCOC(=O)CC1C=CC(=CC=1)N(CCCl)CCCl"	"?"	"InChI=1S/C30H51Cl2NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-35-30(34)27-28-18-20-29(21-19-28)33(24-22-31)25-23-32/h18-21H,2-17,22-27H2,1H3"	"XHDQZPFSXMCVDF-UHFFFAOYSA-N"	"200.0"	"2"	"3"	"FALSE"	"FALSE"
"2086"	"738-70-5"	"DTXSID3023712"	"Trimethoprim"	"EPA_DSSTox"	"COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1OC"	"COC1C=C(CC2=CN=C(N)N=C2N)C=C(OC)C=1OC"	"?"	"InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)"	"IEDVJHCEMCRBQM-UHFFFAOYSA-N"	"200.0"	"2"	"3"	"FALSE"	"FALSE"
"2087"	"935-92-2"	"DTXSID5061320"	"2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-"	"EPA_DSSTox"	"CC1=CC(=O)C(C)=C(C)C1=O"	"CC1C(=O)C=C(C)C(=O)C=1C"	"?"	"InChI=1S/C9H10O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4H,1-3H3"	"QIXDHVDGPXBRRD-UHFFFAOYSA-N"	"200.0"	"2"	"3"	"FALSE"	"FALSE"
"2088"	"15500-66-0"	"DTXSID9023415"	"Pancuronium bromide"	"EPA_DSSTox"	"[Br-].[Br-].CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1"	"CC12CCC3C(CCC4CC(OC(C)=O)C(CC43C)[N+]3(C)CCCCC3)C1CC(C2OC(C)=O)[N+]1(C)CCCCC1"	"[Br-].[Br-]"	"InChI=1S/C35H60N2O4/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36/h26-33H,7-23H2,1-6H3/q+2"	"GVEAYVLWDAFXET-UHFFFAOYSA-N"	"202.0"	"2"	"3"	"FALSE"	"FALSE"
"2089"	"5114-37-4"			"Public_CrossChecked"	"CC(C)OP(=S)(CCl)Sc1ccc(C)cc1"	"CC1C=CC(=CC=1)SP(=S)(CCl)OC(C)C"	"?"	"InChI=1S/C11H16ClOPS2/c1-9(2)13-14(15,8-12)16-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3"	"BFPLZFFHPDTDIC-UHFFFAOYSA-N"	"204.0"	"2"	"3"	"FALSE"	"FALSE"
"2090"	"77-78-1"	"DTXSID5024055"	"Dimethyl sulfate"	"EPA_DSSTox"	"COS(=O)(=O)OC"	"COS(=O)(=O)OC"	"?"	"InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3"	"VAYGXNSJCAHWJZ-UHFFFAOYSA-N"	"205.0"	"2"	"3"	"FALSE"	"FALSE"
"2091"	"18545-48-7"	"DTXSID50171779"	"Phosphorodiamidothioic acid, tetramethyl-, S-butyl ester"	"EPA_DSSTox"	"CCCCSP(=O)(N(C)C)N(C)C"	"CCCCSP(=O)(N(C)C)N(C)C"	"?"	"InChI=1S/C8H21N2OPS/c1-6-7-8-13-12(11,9(2)3)10(4)5/h6-8H2,1-5H3"	"RQAYRFMBTPCBDI-UHFFFAOYSA-N"	"208.0"	"2"	"3"	"FALSE"	"FALSE"
"2092"	"156-51-4"	"DTXSID3021144"	"Phenylethylhydrazine sulfate"	"EPA_DSSTox"	"OS(O)(=O)=O.NNCCC1=CC=CC=C1"	"NNCCC1C=CC=CC=1"	"S(O)(O)(=O)=O"	"InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2"	"RMUCZJUITONUFY-UHFFFAOYSA-N"	"210.0"	"2"	"3"	"FALSE"	"FALSE"
"2093"	"2235-12-3"	"DTXSID3062283"	"1,3,5-Hexatriene"	"EPA_DSSTox"	"C=CC=CC=C"	"C=CC=CC=C"	"?"	"InChI=1S/C6H8/c1-3-5-6-4-2/h3-6H,1-2H2"	"AFVDZBIIBXWASR-UHFFFAOYSA-N"	"210.0"	"2"	"3"	"FALSE"	"FALSE"
"2094"	"4437-22-3"	"DTXSID8063464"	"Furan, 2,2'-[oxybis(methylene)]bis-"	"EPA_DSSTox"	"C(OCC1=CC=CO1)C1=CC=CO1"	"C(OCC1=CC=CO1)C1=CC=CO1"	"?"	"InChI=1S/C10H10O3/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10/h1-6H,7-8H2"	"YEQMNLGBLPBBNI-UHFFFAOYSA-N"	"210.0"	"2"	"3"	"FALSE"	"FALSE"
"2095"	"81-21-0"	"DTXSID4020452"	"Dicyclopentadiene dioxide"	"EPA_DSSTox"	"C1C2OC2C2C3CC(C4OC34)C12"	"C1C2C(C3OC31)C1CC2C2OC12"	"?"	"InChI=1S/C10H12O2/c1-4-3-2-6-10(11-6)7(3)5(1)9-8(4)12-9/h3-10H,1-2H2"	"BQQUFAMSJAKLNB-UHFFFAOYSA-N"	"210.0"	"2"	"3"	"FALSE"	"FALSE"
"2096"	"41798-82-7"			"Public_CrossChecked"	"CN(N=Nc1ccccc1)N=Nc1ccccc1"	"CN(N=NC1C=CC=CC=1)N=NC1C=CC=CC=1"	"?"	"InChI=1S/C13H13N5/c1-18(16-14-12-8-4-2-5-9-12)17-15-13-10-6-3-7-11-13/h2-11H,1H3"	"JTAOTQINXCVGIK-UHFFFAOYSA-N"	"212.0"	"2"	"3"	"FALSE"	"FALSE"
"2097"	"74-83-9"	"DTXSID8020832"	"Methyl bromide"	"EPA_DSSTox"	"CBr"	"CBr"	"?"	"InChI=1S/CH3Br/c1-2/h1H3"	"GZUXJHMPEANEGY-UHFFFAOYSA-N"	"214.0"	"2"	"3"	"FALSE"	"FALSE"
"2098"	"50-91-9"	"DTXSID3023057"	"Floxuridine"	"EPA_DSSTox"	"OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(F)C(=O)NC1=O"	"OC1CC(OC1CO)N1C=C(F)C(=O)NC1=O"	"?"	"InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)"	"ODKNJVUHOIMIIZ-UHFFFAOYSA-N"	"215.0"	"2"	"3"	"FALSE"	"FALSE"
"2099"	"36322-90-4"	"DTXSID5021170"	"Piroxicam"	"EPA_DSSTox"	"CN1C(C(=O)NC2=NC=CC=C2)=C(O)C2=C(C=CC=C2)S1(=O)=O"	"CN1C(=C(O)C2C=CC=CC=2S1(=O)=O)C(=O)NC1C=CC=CN=1"	"?"	"InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)"	"QYSPLQLAKJAUJT-UHFFFAOYSA-N"	"216.0"	"2"	"3"	"FALSE"	"FALSE"
"2100"	"36014-99-0"	"DTXSID60189582"	"4-Benzimidazolesulfonic acid, 5,6,7-trichloro-2-(trifluoromethyl)-"	"EPA_DSSTox"	"OS(=O)(=O)C1=C(Cl)C(Cl)=C(Cl)C2=C1N=C(N2)C(F)(F)F"	"OS(=O)(=O)C1=C2N=C(NC2=C(Cl)C(Cl)=C1Cl)C(F)(F)F"	"?"	"InChI=1S/C8H2Cl3F3N2O3S/c9-1-2(10)4-5(6(3(1)11)20(17,18)19)16-7(15-4)8(12,13)14/h(H,15,16)(H,17,18,19)"	"FWQRRDSRAJTOGV-UHFFFAOYSA-N"	"218.0"	"2"	"3"	"FALSE"	"FALSE"
"2101"	"107-14-2"	"DTXSID7021524"	"Chloroacetonitrile"	"EPA_DSSTox"	"ClCC#N"	"N#CCCl"	"?"	"InChI=1S/C2H2ClN/c3-1-2-4/h1H2"	"RENMDAKOXSCIGH-UHFFFAOYSA-N"	"220.0"	"2"	"3"	"FALSE"	"FALSE"
"2102"	"137927-73-2"	"DTXSID40160399"	"Acetic acid, ((6-phenoxy-4-pyrimidinyl)thio)-, hydrazide"	"EPA_DSSTox"	"NNC(=O)CSC1=NC=NC(OC2=CC=CC=C2)=C1"	"NNC(=O)CSC1C=C(N=CN=1)OC1C=CC=CC=1"	"?"	"InChI=1S/C12H12N4O2S/c13-16-10(17)7-19-12-6-11(14-8-15-12)18-9-4-2-1-3-5-9/h1-6,8H,7,13H2,(H,16,17)"	"LNJSSGABUQZOPP-UHFFFAOYSA-N"	"220.0"	"2"	"3"	"FALSE"	"FALSE"
"2103"	"2779-66-0"	"DTXSID40182112"	"Phosphorodithioic acid, S-((3,4-dichlorophenylthio)methyl) O,O-dimethyl ester"	"EPA_DSSTox"	"COP(=S)(OC)SCSC1=CC(Cl)=C(Cl)C=C1"	"COP(=S)(OC)SCSC1C=C(Cl)C(Cl)=CC=1"	"?"	"InChI=1S/C9H11Cl2O2PS3/c1-12-14(15,13-2)17-6-16-7-3-4-8(10)9(11)5-7/h3-5H,6H2,1-2H3"	"BRBJXQTYAAYTQX-UHFFFAOYSA-N"	"220.0"	"2"	"3"	"FALSE"	"FALSE"
"2104"	"33236-07-6"			"Public_CrossChecked"	"CCOC(C1=NCC(C)(CC)CN1)c1ccccc1"	"CC1(CNC(=NC1)C(OCC)C1C=CC=CC=1)CC"	"?"	"InChI=1S/C16H24N2O/c1-4-16(3)11-17-15(18-12-16)14(19-5-2)13-9-7-6-8-10-13/h6-10,14H,4-5,11-12H2,1-3H3,(H,17,18)"	"BYMORBGQWDQSNO-UHFFFAOYSA-N"	"220.0"	"2"	"3"	"FALSE"	"FALSE"
"2105"	"54-91-1"	"DTXSID7023485"	"Pipobroman"	"EPA_DSSTox"	"BrCCC(=O)N1CCN(CC1)C(=O)CCBr"	"O=C(CCBr)N1CCN(CC1)C(=O)CCBr"	"?"	"InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2"	"NJBFOOCLYDNZJN-UHFFFAOYSA-N"	"220.0"	"2"	"3"	"FALSE"	"FALSE"
"2106"	"930-68-7"	"DTXSID1024881"	"2-Cyclohexen-1-one"	"EPA_DSSTox"	"O=C1CCCC=C1"	"O=C1CCCC=C1"	"?"	"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2"	"FWFSEYBSWVRWGL-UHFFFAOYSA-N"	"220.0"	"2"	"3"	"FALSE"	"FALSE"
"2107"	"2431-54-1"			"Public_CrossChecked"	"ClCC=C(Cl)CCl"	"ClC(CCl)=CCCl"	"?"	"InChI=1S/C4H5Cl3/c5-2-1-4(7)3-6/h1H,2-3H2"	"SXCATGXBSQWDDJ-UHFFFAOYSA-N"	"224.0"	"2"	"3"	"FALSE"	"FALSE"
"2108"	"1553-36-2"	"DTXSID30165873"	"SRI-5"	"EPA_DSSTox"	"O=C(CN1CC1)NCCCCCCCCNC(=O)CN1CC1"	"O=C(CN1CC1)NCCCCCCCCNC(=O)CN1CC1"	"?"	"InChI=1S/C16H30N4O2/c21-15(13-19-9-10-19)17-7-5-3-1-2-4-6-8-18-16(22)14-20-11-12-20/h1-14H2,(H,17,21)(H,18,22)"	"ZDTDUAYRLVDHEJ-UHFFFAOYSA-N"	"225.0"	"2"	"3"	"FALSE"	"FALSE"
"2109"	"29171-77-5"			"Public_CrossChecked"	"CS(=O)(=O)OC[C@@H]1O[C@H]1[C@@H]1O[C@H]1COS(C)(=O)=O"	"CS(=O)(=O)OCC1OC1C1OC1COS(C)(=O)=O"	"?"	"InChI=1S/C8H14O8S2/c1-17(9,10)13-3-5-7(15-5)8-6(16-8)4-14-18(2,11)12/h5-8H,3-4H2,1-2H3"	"MFJOKRDJJGVHTE-UHFFFAOYSA-N"	"225.0"	"2"	"3"	"FALSE"	"FALSE"
"2110"	"64028-99-5"	"DTXSID30879620"	"N-(N-ME-ETHOXYCARBAMYLTHIO)METHOMYL"	"EPA_DSSTox"	"CCOC(=O)N(C)SN(C)C(=O)O\N=C(/C)SC"	"CC(=NOC(=O)N(C)SN(C)C(=O)OCC)SC"	"?"	"InChI=1S/C9H17N3O4S2/c1-6-15-8(13)11(3)18-12(4)9(14)16-10-7(2)17-5/h6H2,1-5H3"	"VEHYYCRDMUUZEQ-UHFFFAOYSA-N"	"226.0"	"2"	"3"	"FALSE"	"FALSE"
"2111"	"82350-97-8"	"DTXSID90231705"	"Benzonitirle, o-((4,5,6,7-tetrahydrothieno(3,2-c)pyridin-5-yl)methyl)-, methanesulfonate"	"EPA_DSSTox"	"CS(O)(=O)=O.N#CC1=CC=CC=C1CN1CCC2=C(C1)C=CS2"	"N#CC1=CC=CC=C1CN1CC2C=CSC=2CC1"	"S(O)(=O)(=O)C"	"InChI=1S/C15H14N2S/c16-9-12-3-1-2-4-13(12)10-17-7-5-15-14(11-17)6-8-18-15/h1-4,6,8H,5,7,10-11H2"	"CTPYPCDNYYPXAG-UHFFFAOYSA-N"	"228.0"	"2"	"3"	"FALSE"	"FALSE"
"2112"	"2746-81-8"	"DTXSID6023070"	"Fluphenazine enanthate"	"EPA_DSSTox"	"CCCCCCC(=O)OCCN1CCN(CCCN2C3=C(SC4=C2C=C(C=C4)C(F)(F)F)C=CC=C3)CC1"	"CCCCCCC(=O)OCCN1CCN(CCCN2C3C=C(C=CC=3SC3C=CC=CC2=3)C(F)(F)F)CC1"	"?"	"InChI=1S/C29H38F3N3O2S/c1-2-3-4-5-11-28(36)37-21-20-34-18-16-33(17-19-34)14-8-15-35-24-9-6-7-10-26(24)38-27-13-12-23(22-25(27)35)29(30,31)32/h6-7,9-10,12-13,22H,2-5,8,11,14-21H2,1H3"	"LRWSFOSWNAQHHW-UHFFFAOYSA-N"	"230.0"	"2"	"3"	"FALSE"	"FALSE"
"2113"	"51-21-8"	"DTXSID2020634"	"5-Fluorouracil"	"EPA_DSSTox"	"FC1=CNC(=O)NC1=O"	"O=C1NC=C(F)C(=O)N1"	"?"	"InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)"	"GHASVSINZRGABV-UHFFFAOYSA-N"	"230.0"	"2"	"3"	"FALSE"	"FALSE"
"2114"	"88167-11-7"	"DTXSID40236866"	"Cinnamamide, N-methyl-3,4-methylenedioxythio-"	"EPA_DSSTox"	"CNC(=S)\C=C\C1=CC2=C(OCO2)C=C1"	"CNC(=S)C=CC1C=C2OCOC2=CC=1"	"?"	"InChI=1S/C11H11NO2S/c1-12-11(15)5-3-8-2-4-9-10(6-8)14-7-13-9/h2-6H,7H2,1H3,(H,12,15)"	"JPAGBGJUOWRAFP-UHFFFAOYSA-N"	"230.0"	"2"	"3"	"FALSE"	"FALSE"
"2115"	"512-82-3"			"Public_CrossChecked"	"[OH-].OC[P+](CO)(CO)CO"	"OC[P+](CO)(CO)CO"	"[OH-]"	"InChI=1S/C4H12O4P/c5-1-9(2-6,3-7)4-8/h5-8H,1-4H2/q+1"	"FAUOSXUSCVJWAY-UHFFFAOYSA-N"	"232.0"	"2"	"3"	"FALSE"	"FALSE"
"2116"	"6109-97-3"	"DTXSID2020054"	"3-Amino-9-ethylcarbazole hydrochloride"	"EPA_DSSTox"	"Cl.CCN1C2=CC=CC=C2C2=C1C=CC(N)=C2"	"CCN1C2C=CC(N)=CC=2C2C=CC=CC1=2"	"Cl"	"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"	"234.0"	"2"	"3"	"FALSE"	"FALSE"
"2117"	"553-27-5"	"DTXSID30203820"	"Aniline mustard"	"EPA_DSSTox"	"ClCCN(CCCl)C1=CC=CC=C1"	"ClCCN(CCCl)C1C=CC=CC=1"	"?"	"InChI=1S/C10H13Cl2N/c11-6-8-13(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2"	"ROSJKFFLIXTTAW-UHFFFAOYSA-N"	"239.0"	"2"	"3"	"FALSE"	"FALSE"
"2118"	"1468-37-7"	"DTXSID4057978"	"Dimexano"	"EPA_DSSTox"	"COC(=S)SSC(=S)OC"	"COC(=S)SSC(=S)OC"	"?"	"InChI=1S/C4H6O2S4/c1-5-3(7)9-10-4(8)6-2/h1-2H3"	"FVCPXLWAKNJIKK-UHFFFAOYSA-N"	"240.0"	"2"	"3"	"FALSE"	"FALSE"
"2119"	"40712-66-1"	"DTXSID50193698"	"4(3H)-Quinazolinone, 3-(4-bromo-o-tolyl)-2-methyl-, monohydrochloride"	"EPA_DSSTox"	"Cl.CC1=NC2=CC=CC=C2C(=O)N1C1=C(C)C=C(Br)C=C1"	"CC1C=C(Br)C=CC=1N1C(=O)C2C=CC=CC=2N=C1C"	"Cl"	"InChI=1S/C16H13BrN2O/c1-10-9-12(17)7-8-15(10)19-11(2)18-14-6-4-3-5-13(14)16(19)20/h3-9H,1-2H3"	"CIYGULLCDQXZNK-UHFFFAOYSA-N"	"240.0"	"2"	"3"	"FALSE"	"FALSE"
"2120"	"438-60-8"	"DTXSID0023535"	"Protriptyline"	"EPA_DSSTox"	"CNCCCC1C2=C(C=CC=C2)C=CC2=C1C=CC=C2"	"CNCCCC1C2C=CC=CC=2C=CC2C=CC=CC=21"	"?"	"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"	"240.0"	"2"	"3"	"FALSE"	"FALSE"
"2121"	"99793-75-6"	"DTXSID70244252"	"1H-1,2,4-Triazole, 1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(methylsulfonyl)-"	"EPA_DSSTox"	"CS(=O)(=O)C1=NN(C(=N1)C1=CC=C(F)C=C1)C1=CC=C(Cl)C=C1"	"CS(=O)(=O)C1N=C(C2C=CC(F)=CC=2)N(N=1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C15H11ClFN3O2S/c1-23(21,22)15-18-14(10-2-6-12(17)7-3-10)20(19-15)13-8-4-11(16)5-9-13/h2-9H,1H3"	"KBJBRSGQEKVZTE-UHFFFAOYSA-N"	"240.0"	"2"	"3"	"FALSE"	"FALSE"
"2122"	"2726-03-6"			"Public_CrossChecked"	"CN(C)CCN1c2ccc(Cl)cc2Nc2ccccc2C1=O"	"CN(C)CCN1C(=O)C2C=CC=CC=2NC2C=C(Cl)C=CC1=2"	"?"	"InChI=1S/C17H18ClN3O/c1-20(2)9-10-21-16-8-7-12(18)11-15(16)19-14-6-4-3-5-13(14)17(21)22/h3-8,11,19H,9-10H2,1-2H3"	"IDWVKNARDDZONS-UHFFFAOYSA-N"	"242.0"	"2"	"3"	"FALSE"	"FALSE"
"2123"	"57236-36-9"			"Public_CrossChecked"	"Br.C[C@@]12CCCCC[C@@H](Cc3ccc(O)cc13)[C@@H]2N"	"CC12CCCCCC(CC3=CC=C(O)C=C13)C2N"	"Br"	"InChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3"	"VTMVHDZWSFQSQP-UHFFFAOYSA-N"	"243.0"	"2"	"3"	"FALSE"	"FALSE"
"2124"	"152-97-6"	"DTXSID00861835"	"Fluocortolone"	"EPA_DSSTox"	"[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C"	"CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1C(O)C=O"	"?"	"InChI=1S/C22H29FO4/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-21(15,2)20(13)17(26)9-22(14,3)19(11)18(27)10-24/h4-5,7,10-11,13-14,16-20,26-27H,6,8-9H2,1-3H3"	"FVWMPQKFPZSHTJ-UHFFFAOYSA-N"	"245.0"	"2"	"3"	"FALSE"	"FALSE"
"2125"	"64204-49-5"	"DTXSID10214419"	"Ethanimidamide, 2-((3,4-dichlorophenyl)amino)-N-hydroxy-, monohydrochloride"	"EPA_DSSTox"	"Cl.N\C(CNC1=CC(Cl)=C(Cl)C=C1)=N\O"	"NC(CNC1C=C(Cl)C(Cl)=CC=1)N=O"	"Cl"	"InChI=1S/C8H9Cl2N3O/c9-6-2-1-5(3-7(6)10)12-4-8(11)13-14/h1-3,8,12H,4,11H2"	"OZWDHQCLMOKAJR-UHFFFAOYSA-N"	"245.0"	"2"	"3"	"FALSE"	"FALSE"
"2126"	"58262-44-5"			"Public_CrossChecked"	"OS(O)(=O)=O.Nc1cccc(c1)N(CCO)CCO"	"NC1C=C(C=CC=1)N(CCO)CCO"	"OS(=O)(=O)O"	"InChI=1S/C10H16N2O2/c11-9-2-1-3-10(8-9)12(4-6-13)5-7-14/h1-3,8,13-14H,4-7,11H2"	"MQMMMSDSVNOFJM-UHFFFAOYSA-N"	"246.0"	"2"	"3"	"FALSE"	"FALSE"
"2127"	"56287-74-2"	"DTXSID5022562"	"Afloqualone"	"EPA_DSSTox"	"CC1=C(C=CC=C1)N1C(CF)=NC2=C(C=C(N)C=C2)C1=O"	"CC1C=CC=CC=1N1C(=O)C2C=C(N)C=CC=2N=C1CF"	"?"	"InChI=1S/C16H14FN3O/c1-10-4-2-3-5-14(10)20-15(9-17)19-13-7-6-11(18)8-12(13)16(20)21/h2-8H,9,18H2,1H3"	"VDOSWXIDETXFET-UHFFFAOYSA-N"	"249.0"	"2"	"3"	"FALSE"	"FALSE"
"2128"	"146-04-3"	"DTXSID80163248"	"Oosponol"	"EPA_DSSTox"	"OCC(=O)C1=COC(=O)C2=C1C=CC=C2O"	"OC1=CC=CC2=C1C(=O)OC=C2C(=O)CO"	"?"	"InChI=1S/C11H8O5/c12-4-9(14)7-5-16-11(15)10-6(7)2-1-3-8(10)13/h1-3,5,12-13H,4H2"	"WRIZJEREXIDJCC-UHFFFAOYSA-N"	"250.0"	"2"	"3"	"FALSE"	"FALSE"
"2129"	"17578-41-5"	"DTXSID30170023"	"Carbamic acid, methyl-, 6-chlorothymyl ester"	"EPA_DSSTox"	"CNC(=O)OC1=C(C=CC(C)=C1Cl)C(C)C"	"CC1=CC=C(C(C)C)C(OC(=O)NC)=C1Cl"	"?"	"InChI=1S/C12H16ClNO2/c1-7(2)9-6-5-8(3)10(13)11(9)16-12(15)14-4/h5-7H,1-4H3,(H,14,15)"	"SJFVLRSDYVADNO-UHFFFAOYSA-N"	"250.0"	"2"	"3"	"FALSE"	"FALSE"
"2130"	"17751-70-1"			"Public_CrossChecked"	"[Br-].CCCCCCC1=CC=C(C=C1)C(C[N+]1=CC=CC=C1)OCC(CC)CCCC"	"CCCCC(COC(C[N+]1C=CC=CC=1)C1=CC=C(CCCCCC)C=C1)CC"	"[Br-]"	"InChI=1S/C27H42NO/c1-4-7-9-11-15-25-16-18-26(19-17-25)27(22-28-20-12-10-13-21-28)29-23-24(6-3)14-8-5-2/h10,12-13,16-21,24,27H,4-9,11,14-15,22-23H2,1-3H3/q+1"	"JGXJARLTZBNPRE-UHFFFAOYSA-N"	"250.0"	"2"	"3"	"FALSE"	"FALSE"
"2131"	"17751-74-5"			"Public_CrossChecked"	"[Br-].CCCCCOC(C[N+]1=CC=CC=C1)C1=CC=C(C=C1)C1CCCCC1"	"CCCCCOC(C[N+]1C=CC=CC=1)C1C=CC(=CC=1)C1CCCCC1"	"[Br-]"	"InChI=1S/C24H34NO/c1-2-3-10-19-26-24(20-25-17-8-5-9-18-25)23-15-13-22(14-16-23)21-11-6-4-7-12-21/h5,8-9,13-18,21,24H,2-4,6-7,10-12,19-20H2,1H3/q+1"	"GDKMZWYYJLJLNV-UHFFFAOYSA-N"	"250.0"	"2"	"3"	"FALSE"	"FALSE"
"2132"	"17751-78-9"			"Public_CrossChecked"	"[Br-].CCCCCCCCOC(C[N+]1=CC=CC=C1)C1=CC=C(C=C1)C1CCCC1"	"CCCCCCCCOC(C[N+]1C=CC=CC=1)C1C=CC(=CC=1)C1CCCC1"	"[Br-]"	"InChI=1S/C26H38NO/c1-2-3-4-5-6-12-21-28-26(22-27-19-10-7-11-20-27)25-17-15-24(16-18-25)23-13-8-9-14-23/h7,10-11,15-20,23,26H,2-6,8-9,12-14,21-22H2,1H3/q+1"	"HTGXNPYHDDYKOQ-UHFFFAOYSA-N"	"250.0"	"2"	"3"	"FALSE"	"FALSE"
"2133"	"18470-07-0"			"Public_CrossChecked"	"COP(=S)(OC)OC(C)(C)C1CCC(C)=CC1"	"CC1CCC(CC=1)C(C)(C)OP(=S)(OC)OC"	"?"	"InChI=1S/C12H23O3PS/c1-10-6-8-11(9-7-10)12(2,3)15-16(17,13-4)14-5/h6,11H,7-9H2,1-5H3"	"FEIBWHWCCJKRQE-UHFFFAOYSA-N"	"250.0"	"2"	"3"	"FALSE"	"FALSE"
"2134"	"20689-96-7"	"DTXSID30174748"	"Benzylamine, N-ethyl-N-nitroso-"	"EPA_DSSTox"	"CCN(CC1=CC=CC=C1)N=O"	"CCN(CC1C=CC=CC=1)N=O"	"?"	"InChI=1S/C9H12N2O/c1-2-11(10-12)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3"	"FEMRUGMGKZBXOL-UHFFFAOYSA-N"	"250.0"	"2"	"3"	"FALSE"	"FALSE"
"2135"	"21270-01-9"			"Public_CrossChecked"	"CCC(C)OC(CBr)c1cccc(Cl)c1"	"CC(CC)OC(CBr)C1C=CC=C(Cl)C=1"	"?"	"InChI=1S/C12H16BrClO/c1-3-9(2)15-12(8-13)10-5-4-6-11(14)7-10/h4-7,9,12H,3,8H2,1-2H3"	"KMKOFKBXRUWRID-UHFFFAOYSA-N"	"250.0"	"2"	"3"	"FALSE"	"FALSE"
"2136"	"21270-05-3"			"Public_CrossChecked"	"CCCCCCCCCCCCOC(CBr)c1ccc(cc1)C(C)C"	"CC(C)C1=CC=C(C=C1)C(CBr)OCCCCCCCCCCCC"	"?"	"InChI=1S/C23H39BrO/c1-4-5-6-7-8-9-10-11-12-13-18-25-23(19-24)22-16-14-21(15-17-22)20(2)3/h14-17,20,23H,4-13,18-19H2,1-3H3"	"IGKJHIYJWOEEQC-UHFFFAOYSA-N"	"250.0"	"2"	"3"	"FALSE"	"FALSE"
"2137"	"21270-09-7"			"Public_CrossChecked"	"CCCCOC(CBr)c1ccc(cc1)C1CCCC1"	"CCCCOC(CBr)C1C=CC(=CC=1)C1CCCC1"	"?"	"InChI=1S/C17H25BrO/c1-2-3-12-19-17(13-18)16-10-8-15(9-11-16)14-6-4-5-7-14/h8-11,14,17H,2-7,12-13H2,1H3"	"IOUWQAOZAPRBBY-UHFFFAOYSA-N"	"250.0"	"2"	"3"	"FALSE"	"FALSE"
"2138"	"21270-13-3"			"Public_CrossChecked"	"CCCCCOC(CBr)c1ccc(cc1)C1CCCCC1"	"CCCCCOC(CBr)C1C=CC(=CC=1)C1CCCCC1"	"?"	"InChI=1S/C19H29BrO/c1-2-3-7-14-21-19(15-20)18-12-10-17(11-13-18)16-8-5-4-6-9-16/h10-13,16,19H,2-9,14-15H2,1H3"	"SSJKEEXKEAHLTD-UHFFFAOYSA-N"	"250.0"	"2"	"3"	"FALSE"	"FALSE"
"2139"	"21270-17-7"			"Public_CrossChecked"	"CCCCC(CC)COC(CBr)c1cccc(c1)C1CCCCC1"	"CCCCC(COC(CBr)C1C=CC=C(C=1)C1CCCCC1)CC"	"?"	"InChI=1S/C22H35BrO/c1-3-5-10-18(4-2)17-24-22(16-23)21-14-9-13-20(15-21)19-11-7-6-8-12-19/h9,13-15,18-19,22H,3-8,10-12,16-17H2,1-2H3"	"FLORVCLJQFUOIT-UHFFFAOYSA-N"	"250.0"	"2"	"3"	"FALSE"	"FALSE"
"2140"	"21270-24-6"			"Public_CrossChecked"	"[Br-].CCCCCOC(C[N+]1=CC=CC=C1)C1=CC=C(C=C1)C(C)C"	"CC(C)C1=CC=C(C=C1)C(C[N+]1C=CC=CC=1)OCCCCC"	"[Br-]"	"InChI=1S/C21H30NO/c1-4-5-9-16-23-21(17-22-14-7-6-8-15-22)20-12-10-19(11-13-20)18(2)3/h6-8,10-15,18,21H,4-5,9,16-17H2,1-3H3/q+1"	"MXNWLSMTXWYZHQ-UHFFFAOYSA-N"	"250.0"	"2"	"3"	"FALSE"	"FALSE"
"2141"	"2302-25-2"	"DTXSID50177574"	"1H-Imidazole, 4-bromo-"	"EPA_DSSTox"	"BrC1=CN=CN1"	"BrC1=CN=CN1"	"?"	"InChI=1S/C3H3BrN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)"	"FHZALEJIENDROK-UHFFFAOYSA-N"	"250.0"	"2"	"3"	"FALSE"	"FALSE"
"2142"	"28416-66-2"			"Public_CrossChecked"	"OC(=O)CC(O)(CC(O)=O)C(O)=O.CC(C)C(CC(C)N(C)C)(C#N)c1ccccc1"	"CC(C)C(CC(C)N(C)C)(C#N)C1C=CC=CC=1"	"C(C(=O)O)C(CC(=O)O)(C(=O)O)O"	"InChI=1S/C16H24N2/c1-13(2)16(12-17,11-14(3)18(4)5)15-9-7-6-8-10-15/h6-10,13-14H,11H2,1-5H3"	"WFLSCFISQHLEED-UHFFFAOYSA-N"	"250.0"	"2"	"3"	"FALSE"	"FALSE"
"2143"	"321-14-2"	"DTXSID7059806"	"Benzoic acid, 5-chloro-2-hydroxy-"	"EPA_DSSTox"	"OC(=O)C1=C(O)C=CC(Cl)=C1"	"OC1C=CC(Cl)=CC=1C(O)=O"	"?"	"InChI=1S/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)"	"NKBASRXWGAGQDP-UHFFFAOYSA-N"	"250.0"	"2"	"3"	"FALSE"	"FALSE"
"2144"	"37565-83-6"			"Public_CrossChecked"	"CCOC(=O)C(SP(=O)(OC)SC)c1ccccc1"	"CSP(=O)(OC)SC(C1C=CC=CC=1)C(=O)OCC"	"?"	"InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(14,15-2)18-3/h5-9,11H,4H2,1-3H3"	"OBXULSHFYPVXMT-UHFFFAOYSA-N"	"250.0"	"2"	"3"	"FALSE"	"FALSE"
"2145"	"41814-78-2"	"DTXSID7037478"	"2,7,8,9-Tricyclazole"	"EPA_DSSTox"	"CC1=C2N3C=NN=C3SC2=CC=C1"	"CC1=CC=CC2SC3=NN=CN3C=21"	"?"	"InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3"	"DQJCHOQLCLEDLL-UHFFFAOYSA-N"	"250.0"	"2"	"3"	"FALSE"	"FALSE"
"2146"	"545-06-2"	"DTXSID0021672"	"Trichloroacetonitrile"	"EPA_DSSTox"	"ClC(Cl)(Cl)C#N"	"N#CC(Cl)(Cl)Cl"	"?"	"InChI=1S/C2Cl3N/c3-2(4,5)1-6"	"DRUIESSIVFYOMK-UHFFFAOYSA-N"	"250.0"	"2"	"3"	"FALSE"	"FALSE"
"2147"	"62-53-3"	"DTXSID8020090"	"Aniline"	"EPA_DSSTox"	"NC1=CC=CC=C1"	"NC1C=CC=CC=1"	"?"	"InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2"	"PAYRUJLWNCNPSJ-UHFFFAOYSA-N"	"250.0"	"2"	"3"	"FALSE"	"FALSE"
"2148"	"6536-18-1"			"Public_CrossChecked"	"CC1C(OCCN1Cc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1"	"C[n]1c(C)c(CN2CCOC(C2C)C2C=CC=CC=2)c(=O)[n]1C1C=CC=CC=1"	"?"	"InChI=1S/C23H27N3O2/c1-17-21(23(27)26(24(17)3)20-12-8-5-9-13-20)16-25-14-15-28-22(18(25)2)19-10-6-4-7-11-19/h4-13,18,22H,14-16H2,1-3H3"	"OOGNFQMTGRZRAB-UHFFFAOYSA-N"	"250.0"	"2"	"3"	"FALSE"	"FALSE"
"2149"	"69226-50-2"	"DTXSID60219272"	"Succinonitrile, 2,3-epoxy-, (-)-(E)-"	"EPA_DSSTox"	"N#C[C@H]1O[C@@H]1C#N"	"N#CC1OC1C#N"	"?"	"InChI=1S/C4H2N2O/c5-1-3-4(2-6)7-3/h3-4H"	"OCNCPWDJFLOERA-UHFFFAOYSA-N"	"250.0"	"2"	"3"	"FALSE"	"FALSE"
"2150"	"74680-56-1"	"DTXSID00225655"	"1H-Imidazol-2-amine, 1-(2,6-dichlorophenyl)-4-methyl-"	"EPA_DSSTox"	"CC1=CN(C(N)=N1)C1=C(Cl)C=CC=C1Cl"	"CC1=CN(C(N)=N1)C1C(Cl)=CC=CC=1Cl"	"?"	"InChI=1S/C10H9Cl2N3/c1-6-5-15(10(13)14-6)9-7(11)3-2-4-8(9)12/h2-5H,1H3,(H2,13,14)"	"BHFRZBBGQRDDKU-UHFFFAOYSA-N"	"250.0"	"2"	"3"	"FALSE"	"FALSE"
"2151"	"82258-36-4"			"Public_CrossChecked"	"CCOC(=O)C1(CCCCCCOc2ccc(Cl)cc2)CO1"	"CCOC(=O)C1(CCCCCCOC2C=CC(Cl)=CC=2)CO1"	"?"	"InChI=1S/C17H23ClO4/c1-2-20-16(19)17(13-22-17)11-5-3-4-6-12-21-15-9-7-14(18)8-10-15/h7-10H,2-6,11-13H2,1H3"	"DZLOHEOHWICNIL-UHFFFAOYSA-N"	"250.0"	"2"	"3"	"FALSE"	"FALSE"
"2152"	"91893-59-3"	"DTXSID00238740"	"1-Pentanesulfonamide, 5-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-N,N-dimethyl-"	"EPA_DSSTox"	"CN(C)S(=O)(=O)CCCCCNC(=O)N(CCCl)N=O"	"CN(C)S(=O)(=O)CCCCCNC(=O)N(CCCl)N=O"	"?"	"InChI=1S/C10H21ClN4O4S/c1-14(2)20(18,19)9-5-3-4-7-12-10(16)15(13-17)8-6-11/h3-9H2,1-2H3,(H,12,16)"	"DXVCAMZHQNJBSQ-UHFFFAOYSA-N"	"250.0"	"2"	"3"	"FALSE"	"FALSE"
"2153"	"1763-23-1"	"DTXSID3031864"	"PFOS"	"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"	"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"	"?"	"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"	"251.0"	"2"	"3"	"FALSE"	"FALSE"
"2154"	"693-07-2"	"DTXSID3027295"	"1-Chloro-2-(ethylthio)ethane"	"EPA_DSSTox"	"CCSCCCl"	"CCSCCCl"	"?"	"InChI=1S/C4H9ClS/c1-2-6-4-3-5/h2-4H2,1H3"	"GBNVXYXIRHSYEG-UHFFFAOYSA-N"	"252.0"	"2"	"3"	"FALSE"	"FALSE"
"2155"	"40805-93-4"	"DTXSID10193795"	"Phosphoric acid, 2,2-dibromovinyl dimethyl ester"	"EPA_DSSTox"	"COP(=O)(OC)OC=C(Br)Br"	"COP(=O)(OC=C(Br)Br)OC"	"?"	"InChI=1S/C4H7Br2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3"	"QMTLGQJLVKFGCV-UHFFFAOYSA-N"	"253.0"	"2"	"3"	"FALSE"	"FALSE"
"2156"	"88069-49-2"	"DTXSID7057860"	"Pilsicainide hydrochloride"	"EPA_DSSTox"	"Cl.CC1=CC=CC(C)=C1NC(=O)CC12CCCN1CCC2"	"CC1C=CC=C(C)C=1NC(=O)CC12CCCN1CCC2"	"Cl"	"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"	"255.0"	"2"	"3"	"FALSE"	"FALSE"
"2157"	"56400-60-3"			"Public_CrossChecked"	"Cl.CNNC"	"CNNC"	"Cl"	"InChI=1S/C2H8N2/c1-3-4-2/h3-4H,1-2H3"	"DIIIISSCIXVANO-UHFFFAOYSA-N"	"257.0"	"2"	"3"	"FALSE"	"FALSE"
"2158"	"1229-35-2"	"DTXSID3025548"	"Methdilazine hydrochloride"	"EPA_DSSTox"	"Cl.CN1CCC(CN2C3=C(SC4=C2C=CC=C4)C=CC=C3)C1"	"CN1CC(CN2C3C=CC=CC=3SC3C=CC=CC2=3)CC1"	"Cl"	"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"	"260.0"	"2"	"3"	"FALSE"	"FALSE"
"2159"	"2833-85-4"	"DTXSID80182570"	"ENT 27360"	"EPA_DSSTox"	"CON(C(C)C)C(=O)CSP(=S)(OC)OC"	"CC(C)N(OC)C(=O)CSP(=S)(OC)OC"	"?"	"InChI=1S/C8H18NO4PS2/c1-7(2)9(11-3)8(10)6-16-14(15,12-4)13-5/h7H,6H2,1-5H3"	"UOGTWQOXQJLFEG-UHFFFAOYSA-N"	"260.0"	"2"	"3"	"FALSE"	"FALSE"
"2160"	"92398-48-6"	"DTXSID30238990"	"Cycloleucine hydrochloride"	"EPA_DSSTox"	"Cl.NC1(CCCC1)C(O)=O"	"NC1(CCCC1)C(O)=O"	"Cl"	"InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)"	"NILQLFBWTXNUOE-UHFFFAOYSA-N"	"260.0"	"2"	"3"	"FALSE"	"FALSE"
"2161"	"77788-21-7"			"Public_CrossChecked"	"Clc1ccc(cc1)N1N=N[C@@H]2[C@@H]3C[C@@H]([C@H]4N=N[C@@H]34)[C@H]12"	"ClC1=CC=C(C=C1)N1N=NC2C3CC(C12)C1N=NC13"	"?"	"InChI=1S/C13H12ClN5/c14-6-1-3-7(4-2-6)19-13-9-5-8(12(13)17-18-19)10-11(9)16-15-10/h1-4,8-13H,5H2"	"DPOWHSMECVNHAT-UHFFFAOYSA-N"	"261.0"	"2"	"3"	"FALSE"	"FALSE"
"2162"	"13523-86-9"	"DTXSID8023476"	"Pindolol"	"EPA_DSSTox"	"CC(C)NCC(O)COC1=C2C=CNC2=CC=C1"	"CC(C)NCC(O)COC1=CC=CC2NC=CC1=2"	"?"	"InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3"	"JZQKKSLKJUAGIC-UHFFFAOYSA-N"	"263.0"	"2"	"3"	"FALSE"	"FALSE"
"2163"	"38194-50-2"	"DTXSID4023624"	"Sulindac"	"EPA_DSSTox"	"CC1=C(CC(O)=O)C2=C(C=CC(F)=C2)\C1=C/C1=CC=C(C=C1)S(C)=O"	"CC1C(=CC2=CC=C(C=C2)S(C)=O)C2C=CC(F)=CC=2C=1CC(O)=O"	"?"	"InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)"	"MLKXDPUZXIRXEP-UHFFFAOYSA-N"	"264.0"	"2"	"3"	"FALSE"	"FALSE"
"2164"	"2669-32-1"	"DTXSID6042101"	"Lythidathion"	"EPA_DSSTox"	"CCOC1=NN(CSP(=S)(OC)OC)C(=O)S1"	"CCOC1=NN(CSP(=S)(OC)OC)C(=O)S1"	"?"	"InChI=1S/C7H13N2O4PS3/c1-4-13-6-8-9(7(10)17-6)5-16-14(15,11-2)12-3/h4-5H2,1-3H3"	"FPMIAGPUNXEUCZ-UHFFFAOYSA-N"	"268.0"	"2"	"3"	"FALSE"	"FALSE"
"2165"	"140-29-4"	"DTXSID2021492"	"Benzyl cyanide"	"EPA_DSSTox"	"N#CCC1=CC=CC=C1"	"N#CCC1C=CC=CC=1"	"?"	"InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2"	"SUSQOBVLVYHIEX-UHFFFAOYSA-N"	"270.0"	"2"	"3"	"FALSE"	"FALSE"
"2166"	"299-85-4"	"DTXSID1058052"	"Zytron"	"EPA_DSSTox"	"COP(=S)(NC(C)C)OC1=C(Cl)C=C(Cl)C=C1"	"COP(=S)(NC(C)C)OC1=CC=C(Cl)C=C1Cl"	"?"	"InChI=1S/C10H14Cl2NO2PS/c1-7(2)13-16(17,14-3)15-10-5-4-8(11)6-9(10)12/h4-7H,1-3H3,(H,13,17)"	"PJFGPJQBWSEWKX-UHFFFAOYSA-N"	"270.0"	"2"	"3"	"FALSE"	"FALSE"
"2167"	"28808-62-0"			"Public_CrossChecked"	"CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CCC1"	"CC1CCCC2(C)C(OC(=O)C2=1)C1C=COC=1"	"?"	"InChI=1S/C14H16O3/c1-9-4-3-6-14(2)11(9)13(15)17-12(14)10-5-7-16-8-10/h5,7-8,12H,3-4,6H2,1-2H3"	"XYYAFLHHHZVPRN-UHFFFAOYSA-N"	"274.0"	"2"	"3"	"FALSE"	"FALSE"
"2168"	"50-44-2"	"DTXSID0020810"	"6-Mercaptopurine"	"EPA_DSSTox"	"S=C1NC=NC2=C1N=CN2"	"S=C1NC=NC2NC=NC=21"	"?"	"InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)"	"GLVAUDGFNGKCSF-UHFFFAOYSA-N"	"277.0"	"2"	"3"	"FALSE"	"FALSE"
"2169"	"25366-23-8"	"DTXSID20180010"	"Thiazafluron [BSI:ISO]"	"EPA_DSSTox"	"CNC(=O)N(C)C1=NN=C(S1)C(F)(F)F"	"CNC(=O)N(C)C1=NN=C(S1)C(F)(F)F"	"?"	"InChI=1S/C6H7F3N4OS/c1-10-4(14)13(2)5-12-11-3(15-5)6(7,8)9/h1-2H3,(H,10,14)"	"BBJPZPLAZVZTGR-UHFFFAOYSA-N"	"278.0"	"2"	"3"	"FALSE"	"FALSE"
"2170"	"2058-52-8"	"DTXSID5022851"	"Clothiapine"	"EPA_DSSTox"	"CN1CCN(CC1)C1=NC2=C(SC3=C1C=C(Cl)C=C3)C=CC=C2"	"CN1CCN(CC1)C1=NC2C=CC=CC=2SC2C=CC(Cl)=CC=21"	"?"	"InChI=1S/C18H18ClN3S/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"	"KAAZGXDPUNNEFN-UHFFFAOYSA-N"	"280.0"	"2"	"3"	"FALSE"	"FALSE"
"2171"	"475-83-2"			"Public_CrossChecked"	"COc1cc2CCN(C)[C@@H]3Cc4ccccc4-c(c1OC)c23"	"COC1C2=C3C(CC4=CC=CC=C42)N(C)CCC3=CC=1OC"	"?"	"InChI=1S/C19H21NO2/c1-20-9-8-13-11-16(21-2)19(22-3)18-14-7-5-4-6-12(14)10-15(20)17(13)18/h4-7,11,15H,8-10H2,1-3H3"	"ORJVQPIHKOARKV-UHFFFAOYSA-N"	"280.0"	"2"	"3"	"FALSE"	"FALSE"
"2172"	"36417-16-0"	"DTXSID60877371"	"2-OH NAPHTHOQUINONE,3(33DICLALLYL)"	"EPA_DSSTox"	"OC1=C(CC=C(Cl)Cl)C(=O)C2=CC=CC=C2C1=O"	"O=C1C2C=CC=CC=2C(=O)C(CC=C(Cl)Cl)C1=O"	"?"	"InChI=1S/C13H8Cl2O3/c14-10(15)6-5-9-11(16)7-3-1-2-4-8(7)12(17)13(9)18/h1-4,6,9H,5H2"	"QKBFPXINRWQPBZ-UHFFFAOYSA-N"	"281.0"	"2"	"3"	"FALSE"	"FALSE"
"2173"	"20917-49-1"	"DTXSID1021039"	"Nitrosoheptamethyleneimine"	"EPA_DSSTox"	"O=NN1CCCCCCC1"	"O=NN1CCCCCCC1"	"?"	"InChI=1S/C7H14N2O/c10-8-9-6-4-2-1-3-5-7-9/h1-7H2"	"RCFKQVLHWYOSFF-UHFFFAOYSA-N"	"283.0"	"2"	"3"	"FALSE"	"FALSE"
"2174"	"873-74-5"	"DTXSID0061240"	"Benzonitrile, 4-amino-"	"EPA_DSSTox"	"NC1=CC=C(C=C1)C#N"	"NC1=CC=C(C=C1)C#N"	"?"	"InChI=1S/C7H6N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,9H2"	"YBAZINRZQSAIAY-UHFFFAOYSA-N"	"283.0"	"2"	"3"	"FALSE"	"FALSE"
"2175"	"7680-73-1"			"Public_CrossChecked"	"[Cl-].C[N+]1=CC=CC=C1"	"C[N+]1C=CC=CC=1"	"[Cl-]"	"InChI=1S/C6H8N/c1-7-5-3-2-4-6-7/h2-6H,1H3/q+1"	"PQBAWAQIRZIWIV-UHFFFAOYSA-N"	"285.0"	"2"	"3"	"FALSE"	"FALSE"
"2176"	"3328-33-4"	"DTXSID1073319"	"1-(Dimethyoxyphosphinyl)vinyl dimethyl phosphate"	"EPA_DSSTox"	"COP(=O)(OC)OC(=C)P(=O)(OC)OC"	"COP(=O)(OC(=C)P(=O)(OC)OC)OC"	"?"	"InChI=1S/C6H14O7P2/c1-6(14(7,9-2)10-3)13-15(8,11-4)12-5/h1H2,2-5H3"	"XOKPUBSZNXLEBS-UHFFFAOYSA-N"	"287.0"	"2"	"3"	"FALSE"	"FALSE"
"2177"	"1146-99-2"	"DTXSID0046228"	"Clorindione"	"EPA_DSSTox"	"ClC1=CC=C(C=C1)C1C(=O)C2=CC=CC=C2C1=O"	"O=C1C(C2C=CC(Cl)=CC=2)C(=O)C2C=CC=CC1=2"	"?"	"InChI=1S/C15H9ClO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H"	"NJDUWAXIURWWLN-UHFFFAOYSA-N"	"290.0"	"2"	"3"	"FALSE"	"FALSE"
"2178"	"4410-48-4"			"Public_CrossChecked"	"Cl.CC[C@H]1C2C[C@H]3[C@@H]4N(C)c5ccccc5C44C[C@@H](C2[C@H]4O)N3[C@@H]1O"	"CN1C2C3CC4C(CC)C(O)N3C3CC2(C(O)C43)C2=CC=CC=C12"	"Cl"	"InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3"	"CJDRUOGAGYHKKD-UHFFFAOYSA-N"	"290.0"	"2"	"3"	"FALSE"	"FALSE"
"2179"	"120-08-1"	"DTXSID10152640"	"Scoparone"	"EPA_DSSTox"	"COC1=C(OC)C=C2C=CC(=O)OC2=C1"	"COC1=CC2C=CC(=O)OC=2C=C1OC"	"?"	"InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3"	"GUAFOGOEJLSQBT-UHFFFAOYSA-N"	"292.0"	"2"	"3"	"FALSE"	"FALSE"
"2180"	"129-03-3"	"DTXSID8022872"	"Cyproheptadine"	"EPA_DSSTox"	"CN1CCC(CC1)=C1C2=C(C=CC=C2)C=CC2=C1C=CC=C2"	"CN1CCC(CC1)=C1C2C=CC=CC=2C=CC2C=CC=CC=21"	"?"	"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"	"295.0"	"2"	"3"	"FALSE"	"FALSE"
"2181"	"85409-38-7"	"DTXSID50234616"	"Rilmenidine phosphate"	"EPA_DSSTox"	"OP(O)(O)=O.C1CC1C(NC1=NCCO1)C1CC1"	"C1COC(NC(C2CC2)C2CC2)=N1"	"P(O)(O)(O)=O"	"InChI=1S/C10H16N2O/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10/h7-9H,1-6H2,(H,11,12)"	"CQXADFVORZEARL-UHFFFAOYSA-N"	"295.0"	"2"	"3"	"FALSE"	"FALSE"
"2182"	"26485-73-4"	"DTXSID30181078"	"3,5-Pyrazolidinedione, 4-benzyl-1,2-diphenyl-"	"EPA_DSSTox"	"O=C1C(CC2=CC=CC=C2)C(=O)N(N1C1=CC=CC=C1)C1=CC=CC=C1"	"O=C1C(CC2C=CC=CC=2)C(=O)N(C2C=CC=CC=2)N1C1C=CC=CC=1"	"?"	"InChI=1S/C22H18N2O2/c25-21-20(16-17-10-4-1-5-11-17)22(26)24(19-14-8-3-9-15-19)23(21)18-12-6-2-7-13-18/h1-15,20H,16H2"	"GSTJUQAYAGGXPJ-UHFFFAOYSA-N"	"297.0"	"2"	"3"	"FALSE"	"FALSE"
"2183"	"10140-94-0"			"Public_CrossChecked"	"CCCC1OP(Cl)(=S)OCC1CC"	"CCC1COP(=S)(Cl)OC1CCC"	"?"	"InChI=1S/C8H16ClO2PS/c1-3-5-8-7(4-2)6-10-12(9,13)11-8/h7-8H,3-6H2,1-2H3"	"LIQASYRHUGVBON-UHFFFAOYSA-N"	"300.0"	"2"	"4"	"FALSE"	"FALSE"
"2184"	"127-63-9"	"DTXSID6041892"	"Diphenylsulfone"	"EPA_DSSTox"	"O=S(=O)(C1=CC=CC=C1)C1=CC=CC=C1"	"O=S(=O)(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H"	"KZTYYGOKRVBIMI-UHFFFAOYSA-N"	"300.0"	"2"	"4"	"FALSE"	"FALSE"
"2185"	"145783-14-8"	"DTXSID50624098"	"4,6-Dichloro-5-nitro-2-(propylsulfanyl)pyrimidine"	"EPA_DSSTox"	"CCCSC1=NC(Cl)=C(C(Cl)=N1)[N+]([O-])=O"	"CCCSC1=NC(Cl)=C(C(Cl)=N1)[N+]([O-])=O"	"?"	"InChI=1S/C7H7Cl2N3O2S/c1-2-3-15-7-10-5(8)4(12(13)14)6(9)11-7/h2-3H2,1H3"	"DDEDQHVHVPJFAC-UHFFFAOYSA-N"	"300.0"	"2"	"4"	"FALSE"	"FALSE"
"2186"	"16780-88-4"			"Public_CrossChecked"	"OC1(N2CCN=C2c2ccccc12)c1ccccc1"	"OC1(C2C=CC=CC=2C2=NCCN12)C1C=CC=CC=1"	"?"	"InChI=1S/C16H14N2O/c19-16(12-6-2-1-3-7-12)14-9-5-4-8-13(14)15-17-10-11-18(15)16/h1-9,19H,10-11H2"	"AYCFVKGYERYDRT-UHFFFAOYSA-N"	"300.0"	"2"	"4"	"FALSE"	"FALSE"
"2187"	"20241-03-6"	"DTXSID80879559"	"1-(3-TOLYL)-3,3-DIMETHYLTRIAZENE"	"EPA_DSSTox"	"CN(C)\N=N/C1=CC=CC(C)=C1"	"CC1C=CC=C(C=1)N=NN(C)C"	"?"	"InChI=1S/C9H13N3/c1-8-5-4-6-9(7-8)10-11-12(2)3/h4-7H,1-3H3"	"FQSKSHNJOFUZJJ-UHFFFAOYSA-N"	"300.0"	"2"	"4"	"FALSE"	"FALSE"
"2188"	"2274-11-5"	"DTXSID9044615"	"Ethylene acrylate"	"EPA_DSSTox"	"C=CC(=O)OCCOC(=O)C=C"	"C=CC(=O)OCCOC(=O)C=C"	"?"	"InChI=1S/C8H10O4/c1-3-7(9)11-5-6-12-8(10)4-2/h3-4H,1-2,5-6H2"	"KUDUQBURMYMBIJ-UHFFFAOYSA-N"	"300.0"	"2"	"4"	"FALSE"	"FALSE"
"2189"	"24632-63-1"			"Public_CrossChecked"	"CN1CCN(CCC(=O)NN=Cc2ccc(o2)[N+]([O-])=O)CC1"	"CN1CCN(CCC(=O)N=NCC2=CC=C(O2)[N+]([O-])=O)CC1"	"?"	"InChI=1S/C13H19N5O4/c1-16-6-8-17(9-7-16)5-4-12(19)15-14-10-11-2-3-13(22-11)18(20)21/h2-3H,4-10H2,1H3"	"HTKJTOFTELHABB-UHFFFAOYSA-N"	"300.0"	"2"	"4"	"FALSE"	"FALSE"
"2190"	"32808-52-9"	"DTXSID20186476"	"Bucloxic acid sodium"	"EPA_DSSTox"	"[Na+].[O-]C(=O)CCC(=O)C1=CC(Cl)=C(C=C1)C1CCCCC1"	"OC(=O)CCC(=O)C1=CC=C(C2CCCCC2)C(Cl)=C1"	"[Na+]"	"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"	"300.0"	"2"	"4"	"FALSE"	"FALSE"
"2191"	"4205-52-1"			"Public_CrossChecked"	"CCCCNP(=S)(OCC)Sc1ccccc1"	"CCCCNP(=S)(OCC)SC1C=CC=CC=1"	"?"	"InChI=1S/C12H20NOPS2/c1-3-5-11-13-15(16,14-4-2)17-12-9-7-6-8-10-12/h6-10H,3-5,11H2,1-2H3,(H,13,16)"	"GHUZYBDYQPFVHL-UHFFFAOYSA-N"	"300.0"	"2"	"4"	"FALSE"	"FALSE"
"2192"	"4949-85-3"	"DTXSID80197801"	"Thiourea, (2,5-dichlorophenyl)- (9CI)"	"EPA_DSSTox"	"NC(=S)NC1=C(Cl)C=CC(Cl)=C1"	"NC(=S)NC1C=C(Cl)C=CC=1Cl"	"?"	"InChI=1S/C7H6Cl2N2S/c8-4-1-2-5(9)6(3-4)11-7(10)12/h1-3H,(H3,10,11,12)"	"UQCOANNCPUOZNW-UHFFFAOYSA-N"	"300.0"	"2"	"4"	"FALSE"	"FALSE"
"2193"	"555-57-7"	"DTXSID3023423"	"Pargyline"	"EPA_DSSTox"	"CN(CC#C)CC1=CC=CC=C1"	"CN(CC#C)CC1C=CC=CC=1"	"?"	"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"	"300.0"	"2"	"4"	"FALSE"	"FALSE"
"2194"	"61-54-1"	"DTXSID2075340"	"Tryptamine"	"EPA_DSSTox"	"NCCC1=CNC2=CC=CC=C12"	"NCCC1=CNC2C=CC=CC=21"	"?"	"InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2"	"APJYDQYYACXCRM-UHFFFAOYSA-N"	"300.0"	"2"	"4"	"FALSE"	"FALSE"
"2195"	"6753-24-8"	"DTXSID0041355"	"2,4-DB-butyl"	"EPA_DSSTox"	"CCCCOC(=O)CCCOC1=CC=C(Cl)C=C1Cl"	"CCCCOC(=O)CCCOC1=CC=C(Cl)C=C1Cl"	"?"	"InChI=1S/C14H18Cl2O3/c1-2-3-8-19-14(17)5-4-9-18-13-7-6-11(15)10-12(13)16/h6-7,10H,2-5,8-9H2,1H3"	"IXXKVXJYFVAQBI-UHFFFAOYSA-N"	"300.0"	"2"	"4"	"FALSE"	"FALSE"
"2196"	"759-73-9"	"DTXSID8020593"	"1-Ethyl-1-nitrosourea"	"EPA_DSSTox"	"CCN(N=O)C(N)=O"	"CCN(N=O)C(N)=O"	"?"	"InChI=1S/C3H7N3O2/c1-2-6(5-8)3(4)7/h2H2,1H3,(H2,4,7)"	"FUSGACRLAFQQRL-UHFFFAOYSA-N"	"300.0"	"2"	"4"	"FALSE"	"FALSE"
"2197"	"93144-68-4"	"DTXSID40239296"	"Propionamide, 2-(p-chlorophenoxy)-N-(2-(diethylamino)ethyl)-2-methyl-"	"EPA_DSSTox"	"CCN(CC)CCNC(=O)C(C)(C)OC1=CC=C(Cl)C=C1"	"CC(C)(OC1C=CC(Cl)=CC=1)C(=O)NCCN(CC)CC"	"?"	"InChI=1S/C16H25ClN2O2/c1-5-19(6-2)12-11-18-15(20)16(3,4)21-14-9-7-13(17)8-10-14/h7-10H,5-6,11-12H2,1-4H3,(H,18,20)"	"UCFLBYXMGOWZPX-UHFFFAOYSA-N"	"300.0"	"2"	"4"	"FALSE"	"FALSE"
"2198"	"999-21-3"	"DTXSID3044752"	"Diprop-2-en-1-yl (2Z)-but-2-enedioate"	"EPA_DSSTox"	"C=CCOC(=O)\C=C/C(=O)OCC=C"	"C=CCOC(=O)C=CC(=O)OCC=C"	"?"	"InChI=1S/C10H12O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-6H,1-2,7-8H2"	"ZPOLOEWJWXZUSP-UHFFFAOYSA-N"	"300.0"	"2"	"4"	"FALSE"	"FALSE"
"2199"	"29128-69-6"			"Public_CrossChecked"	"CN1CCC(C1)C=C1c2ccccc2CCc2ccccc12"	"CN1CC(CC1)/C=C1\C2=CC=CC=C2CCC2C=CC=CC=2\1"	"?"	"InChI=1S/C21H23N/c1-22-13-12-16(15-22)14-21-19-8-4-2-6-17(19)10-11-18-7-3-5-9-20(18)21/h2-9,14,16H,10-13,15H2,1H3"	"XGTMDFMSBGZUBR-UHFFFAOYSA-N"	"303.0"	"2"	"4"	"FALSE"	"FALSE"
"2200"	"113-92-8"	"DTXSID4020321"	"Chlorpheniramine maleate"	"EPA_DSSTox"	"OC(=O)\C=C/C([O-])=O.C[NH+](C)CCC(C1=CC=C(Cl)C=C1)C1=NC=CC=C1"	"CN(C)CCC(C1C=CC=CN=1)C1C=CC(Cl)=CC=1"	"C(/C=C\C(=O)[O-])(=O)O"	"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"	"306.0"	"2"	"4"	"FALSE"	"FALSE"
"2201"	"29098-15-5"	"DTXSID20183344"	"Terofenamate"	"EPA_DSSTox"	"CCOCOC(=O)C1=CC=CC=C1NC1=C(Cl)C=CC(C)=C1Cl"	"CC1=CC=C(Cl)C(NC2C=CC=CC=2C(=O)OCOCC)=C1Cl"	"?"	"InChI=1S/C17H17Cl2NO3/c1-3-22-10-23-17(21)12-6-4-5-7-14(12)20-16-13(18)9-8-11(2)15(16)19/h4-9,20H,3,10H2,1-2H3"	"FRQSLQPWXFAJFO-UHFFFAOYSA-N"	"307.0"	"2"	"4"	"FALSE"	"FALSE"
"2202"	"36001-88-4"	"DTXSID4041600"	"Amiprofos-methyl"	"EPA_DSSTox"	"COP(=S)(NC(C)C)OC1=C(C=C(C)C=C1)[N+]([O-])=O"	"CC1C=CC(OP(=S)(NC(C)C)OC)=C(C=1)[N+]([O-])=O"	"?"	"InChI=1S/C11H17N2O4PS/c1-8(2)12-18(19,16-4)17-11-6-5-9(3)7-10(11)13(14)15/h5-8H,1-4H3,(H,12,19)"	"VHEWQRWLIDWRMR-UHFFFAOYSA-N"	"309.0"	"2"	"4"	"FALSE"	"FALSE"
"2203"	"20977-50-8"	"DTXSID70175178"	"Carperone"	"EPA_DSSTox"	"CC(C)NC(=O)OC1CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1"	"CC(C)NC(=O)OC1CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1"	"?"	"InChI=1S/C19H27FN2O3/c1-14(2)21-19(24)25-17-9-12-22(13-10-17)11-3-4-18(23)15-5-7-16(20)8-6-15/h5-8,14,17H,3-4,9-13H2,1-2H3,(H,21,24)"	"HJSFDYCHYVGVDC-UHFFFAOYSA-N"	"310.0"	"2"	"4"	"FALSE"	"FALSE"
"2204"	"368-47-8"	"DTXSID90190267"	"Silane, phenyltrifluoro-"	"EPA_DSSTox"	"F[Si](F)(F)C1=CC=CC=C1"	"F[Si](F)(F)C1C=CC=CC=1"	"?"	"InChI=1S/C6H5F3Si/c7-10(8,9)6-4-2-1-3-5-6/h1-5H"	"KGWNTHHPMKEAIK-UHFFFAOYSA-N"	"310.0"	"2"	"4"	"FALSE"	"FALSE"
"2205"	"492-17-1"	"DTXSID20197709"	"2,4'-Biphenyldiamine"	"EPA_DSSTox"	"NC1=CC=C(C=C1)C1=CC=CC=C1N"	"NC1C=CC(=CC=1)C1C=CC=CC=1N"	"?"	"InChI=1S/C12H12N2/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8H,13-14H2"	"RDMFEHLCCOQUMH-UHFFFAOYSA-N"	"311.0"	"2"	"4"	"FALSE"	"FALSE"
"2206"	"39004-94-9"	"DTXSID30192280"	"Phosphorothioic acid, O,O-bis(p-nitrophenyl) O-methyl ester"	"EPA_DSSTox"	"COP(=S)(OC1=CC=C(C=C1)[N+]([O-])=O)OC1=CC=C(C=C1)[N+]([O-])=O"	"COP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)OC1C=CC(=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C13H11N2O7PS/c1-20-23(24,21-12-6-2-10(3-7-12)14(16)17)22-13-8-4-11(5-9-13)15(18)19/h2-9H,1H3"	"AQAXQJMWHPFBPU-UHFFFAOYSA-N"	"312.0"	"2"	"4"	"FALSE"	"FALSE"
"2207"	"14899-36-6"	"DTXSID8022903"	"Dexamethasone palmitate"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C"	"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)CCCCCCCCCCCCCCC"	"?"	"InChI=1S/C38H59FO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34(43)45-26-33(42)38(44)27(2)23-31-30-20-19-28-24-29(40)21-22-35(28,3)37(30,39)32(41)25-36(31,38)4/h21-22,24,27,30-32,41,44H,5-20,23,25-26H2,1-4H3"	"WDPYZTKOEFDTCU-UHFFFAOYSA-N"	"315.0"	"2"	"4"	"FALSE"	"FALSE"
"2208"	"73384-60-8"	"DTXSID1040617"	"Sulmazole"	"EPA_DSSTox"	"COC1=C(C=CC(=C1)S(C)=O)C1=NC2=C(N1)C=CC=N2"	"CS(=O)C1=CC(OC)=C(C=C1)C1NC2C=CC=NC=2N=1"	"?"	"InChI=1S/C14H13N3O2S/c1-19-12-8-9(20(2)18)5-6-10(12)13-16-11-4-3-7-15-14(11)17-13/h3-8H,1-2H3,(H,15,16,17)"	"XMFCOYRWYYXZMY-UHFFFAOYSA-N"	"315.0"	"2"	"4"	"FALSE"	"FALSE"
"2209"	"2489-77-2"	"DTXSID6021404"	"1,1,3-Trimethyl-2-thiourea"	"EPA_DSSTox"	"CNC(=S)N(C)C"	"CNC(=S)N(C)C"	"?"	"InChI=1S/C4H10N2S/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)"	"JAEZSIYNWDWMMN-UHFFFAOYSA-N"	"316.0"	"2"	"4"	"FALSE"	"FALSE"
"2210"	"77-65-6"	"DTXSID8020252"	"Carbromal"	"EPA_DSSTox"	"CCC(Br)(CC)C(=O)NC(N)=O"	"CCC(Br)(CC)C(=O)NC(N)=O"	"?"	"InChI=1S/C7H13BrN2O2/c1-3-7(8,4-2)5(11)10-6(9)12/h3-4H2,1-2H3,(H3,9,10,11,12)"	"OPNPQXLQERQBBV-UHFFFAOYSA-N"	"316.0"	"2"	"4"	"FALSE"	"FALSE"
"2211"	"22316-71-8"			"Public_CrossChecked"	"Nc1nc(N)c2cc(ccc2n1)N(Cc1ccc(Cl)c(Cl)c1)N=O"	"NC1N=C2C=CC(=CC2=C(N)N=1)N(CC1C=C(Cl)C(Cl)=CC=1)N=O"	"?"	"InChI=1S/C15H12Cl2N6O/c16-11-3-1-8(5-12(11)17)7-23(22-24)9-2-4-13-10(6-9)14(18)21-15(19)20-13/h1-6H,7H2,(H4,18,19,20,21)"	"YVQXNYOBSUPZMH-UHFFFAOYSA-N"	"317.0"	"2"	"4"	"FALSE"	"FALSE"
"2212"	"39515-40-7"	"DTXSID4032536"	"Cyphenothrin"	"EPA_DSSTox"	"CC(C)=CC1C(C(=O)OC(C#N)C2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C"	"CC(C)=CC1C(C(=O)OC(C#N)C2C=CC=C(C=2)OC2C=CC=CC=2)C1(C)C"	"?"	"InChI=1S/C24H25NO3/c1-16(2)13-20-22(24(20,3)4)23(26)28-21(15-25)17-9-8-12-19(14-17)27-18-10-6-5-7-11-18/h5-14,20-22H,1-4H3"	"FJDPATXIBIBRIM-UHFFFAOYSA-N"	"318.0"	"2"	"4"	"FALSE"	"FALSE"
"2213"	"153049-45-7"			"Public_CrossChecked"	"OC(=O)C=CC(O)=O.CN(C)CCC=C1c2ccsc2S(=O)Cc2ccccc12"	"CN(C)CCC=C1C2C=CC=CC=2CS(=O)C2SC=CC=21"	"C(=C/C(=O)O)\C(=O)O"	"InChI=1S/C17H19NOS2/c1-18(2)10-5-8-15-14-7-4-3-6-13(14)12-21(19)17-16(15)9-11-20-17/h3-4,6-9,11H,5,10,12H2,1-2H3"	"ODOQEUKFOVZYAM-UHFFFAOYSA-N"	"319.0"	"2"	"4"	"FALSE"	"FALSE"
"2214"	"1190-53-0"			"Public_CrossChecked"	"Cl.CCCCNC(=N)NC(N)=N"	"CCCCNC(=N)NC(N)=N"	"Cl"	"InChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11)"	"XSEUMFJMFFMCIU-UHFFFAOYSA-N"	"320.0"	"2"	"4"	"FALSE"	"FALSE"
"2215"	"302-41-0"	"DTXSID00184293"	"Piritramide [INN:BAN:DCF]"	"EPA_DSSTox"	"NC(=O)C1(CCN(CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1)N1CCCCC1"	"NC(=O)C1(CCN(CCC(C#N)(C2C=CC=CC=2)C2C=CC=CC=2)CC1)N1CCCCC1"	"?"	"InChI=1S/C27H34N4O/c28-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)14-19-30-20-15-27(16-21-30,25(29)32)31-17-8-3-9-18-31/h1-2,4-7,10-13H,3,8-9,14-21H2,(H2,29,32)"	"IHEHEFLXQFOQJO-UHFFFAOYSA-N"	"320.0"	"2"	"4"	"FALSE"	"FALSE"
"2216"	"50-48-6"	"DTXSID7022594"	"Amitriptyline"	"EPA_DSSTox"	"CN(C)CCC=C1C2=CC=CC=C2CCC2=C1C=CC=C2"	"CN(C)CC/C=C1\C2=CC=CC=C2CCC2C=CC=CC=2\1"	"?"	"InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3"	"KRMDCWKBEZIMAB-UHFFFAOYSA-N"	"320.0"	"2"	"4"	"FALSE"	"FALSE"
"2217"	"55311-62-1"			"Public_CrossChecked"	"CN(Sc1ccc(Cl)cc1)C=Nc1ccc(C)cc1C"	"CC1=CC(C)=C(C=C1)N=CN(C)SC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C16H17ClN2S/c1-12-4-9-16(13(2)10-12)18-11-19(3)20-15-7-5-14(17)6-8-15/h4-11H,1-3H3"	"MZTDHAJDLGWQMR-UHFFFAOYSA-N"	"320.0"	"2"	"4"	"FALSE"	"FALSE"
"2218"	"7203-91-0"	"DTXSID70866135"	"1-(4'-Carboxyphenyl)-3,3-dimethyltriazene"	"EPA_DSSTox"	"CN(C)N=NC1=CC=C(C=C1)C(O)=O"	"CN(C)N=NC1C=CC(=CC=1)C(O)=O"	"?"	"InChI=1S/C9H11N3O2/c1-12(2)11-10-8-5-3-7(4-6-8)9(13)14/h3-6H,1-2H3,(H,13,14)"	"GUAZPUYTLMUTMA-UHFFFAOYSA-N"	"320.0"	"2"	"4"	"FALSE"	"FALSE"
"2219"	"824-78-2"	"DTXSID3027320"	"Sodium 4-nitrophenolate"	"EPA_DSSTox"	"[Na+].[O-]C1=CC=C(C=C1)[N+]([O-])=O"	"[O-][N+](=O)C1C=CC(O)=CC=1"	"[Na+]"	"InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H"	"BTJIUGUIPKRLHP-UHFFFAOYSA-N"	"320.0"	"2"	"4"	"FALSE"	"FALSE"
"2220"	"144980-77-8"			"Public_CrossChecked"	"Cl.O=C1N(CCCCNC[C@H]2CCc3ccccc3O2)S(=O)(=O)c2ccccc12"	"O=C1C2C=CC=CC=2S(=O)(=O)N1CCCCNCC1CCC2C=CC=CC=2O1"	"Cl"	"InChI=1S/C21H24N2O4S/c24-21-18-8-2-4-10-20(18)28(25,26)23(21)14-6-5-13-22-15-17-12-11-16-7-1-3-9-19(16)27-17/h1-4,7-10,17,22H,5-6,11-15H2"	"YGYBFMRFXNDIPO-UHFFFAOYSA-N"	"324.0"	"2"	"4"	"FALSE"	"FALSE"
"2221"	"60045-37-6"			"Public_CrossChecked"	"O=C1N=C2N(C=Nc3ccccc23)C1=Cc1ccccc1"	"O=C1N=C2C3=CC=CC=C3N=CN2C1=CC1C=CC=CC=1"	"?"	"InChI=1S/C17H11N3O/c21-17-15(10-12-6-2-1-3-7-12)20-11-18-14-9-5-4-8-13(14)16(20)19-17/h1-11H"	"OHAGLIMJAFDKAT-UHFFFAOYSA-N"	"325.0"	"2"	"4"	"FALSE"	"FALSE"
"2222"	"23456-94-2"			"Public_CrossChecked"	"CN(C)N=Nc1ccc(F)cc1"	"CN(C)N=NC1C=CC(F)=CC=1"	"?"	"InChI=1S/C8H10FN3/c1-12(2)11-10-8-5-3-7(9)4-6-8/h3-6H,1-2H3"	"XOIRGVCSIQKKPR-UHFFFAOYSA-N"	"326.0"	"2"	"4"	"FALSE"	"FALSE"
"2223"	"62971-07-7"			"Public_CrossChecked"	"CC(C(O)=O)c1ccc(cc1)N1CC2=C(CC=CC2)C1=O"	"CC(C(O)=O)C1C=CC(=CC=1)N1CC2CC=CCC=2C1=O"	"?"	"InChI=1S/C17H17NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-3,6-9,11H,4-5,10H2,1H3,(H,20,21)"	"SUWQAGBEBHRDQT-UHFFFAOYSA-N"	"328.0"	"2"	"4"	"FALSE"	"FALSE"
"2224"	"10108-56-2"			"Public_CrossChecked"	"CCCCNC1CCCCC1"	"CCCCNC1CCCCC1"	"?"	"InChI=1S/C10H21N/c1-2-3-9-11-10-7-5-4-6-8-10/h10-11H,2-9H2,1H3"	"VXXLEXCQCSPKFI-UHFFFAOYSA-N"	"330.0"	"2"	"4"	"FALSE"	"FALSE"
"2225"	"49803-30-7"	"DTXSID50198082"	"1,3-Indandione, 2-(1-ethyl-4(1H)-pyridinylidene)-"	"EPA_DSSTox"	"CCN1C=CC(C=C1)=C1C(=O)C2=CC=CC=C2C1=O"	"CCN1C=CC(C=C1)=C1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C16H13NO2/c1-2-17-9-7-11(8-10-17)14-15(18)12-5-3-4-6-13(12)16(14)19/h3-10H,2H2,1H3"	"XHNFURAQPBTAFS-UHFFFAOYSA-N"	"330.0"	"2"	"4"	"FALSE"	"FALSE"
"2226"	"83130-01-2"	"DTXSID5058195"	"Alanycarb"	"EPA_DSSTox"	"CCOC(=O)CCN(CC1=CC=CC=C1)SN(C)C(=O)O\N=C(\C)SC"	"CN(SN(CCC(=O)OCC)CC1C=CC=CC=1)C(=O)ON=C(C)SC"	"?"	"InChI=1S/C17H25N3O4S2/c1-5-23-16(21)11-12-20(13-15-9-7-6-8-10-15)26-19(3)17(22)24-18-14(2)25-4/h6-10H,5,11-13H2,1-4H3"	"GMAUQNJOSOMMHI-UHFFFAOYSA-N"	"330.0"	"2"	"4"	"FALSE"	"FALSE"
"2227"	"29547-00-0"	"DTXSID90183730"	"Thiosultap-monosodium [ISO]"	"EPA_DSSTox"	"[Na+].CN(C)C(CSS(O)(=O)=O)CSS([O-])(=O)=O"	"CN(C)C(CSS(O)(=O)=O)CSS(O)(=O)=O"	"[Na+]"	"InChI=1S/C5H13NO6S4/c1-6(2)5(3-13-15(7,8)9)4-14-16(10,11)12/h5H,3-4H2,1-2H3,(H,7,8,9)(H,10,11,12)"	"PYNKFIVDSJSNGL-UHFFFAOYSA-N"	"333.0"	"2"	"4"	"FALSE"	"FALSE"
"2228"	"105628-07-7"	"DTXSID1045615"	"Fasudil hydrochloride"	"EPA_DSSTox"	"Cl.O=S(=O)(N1CCCNCC1)C1=CC=CC2=C1C=CN=C2"	"O=S(=O)(C1=CC=CC2C=NC=CC=21)N1CCCNCC1"	"Cl"	"InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2"	"NGOGFTYYXHNFQH-UHFFFAOYSA-N"	"335.0"	"2"	"4"	"FALSE"	"FALSE"
"2229"	"20830-81-3"	"DTXSID7022883"	"Daunorubicin"	"EPA_DSSTox"	"COC1=C2C(=O)C3=C(C(O)=C4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)C4=C3O)C(C)=O)C(=O)C2=CC=C1"	"CC(=O)C1(O)CC2=C(C(C1)OC1CC(N)C(O)C(C)O1)C(O)=C1C(C(=O)C3C=CC=C(OC)C=3C1=O)=C2O"	"?"	"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"	"336.0"	"2"	"4"	"FALSE"	"FALSE"
"2230"	"932-83-2"	"DTXSID0021040"	"N-Nitrosohexamethyleneimine"	"EPA_DSSTox"	"O=NN1CCCCCC1"	"O=NN1CCCCCC1"	"?"	"InChI=1S/C6H12N2O/c9-7-8-5-3-1-2-4-6-8/h1-6H2"	"UZMVSVHUTOAPTD-UHFFFAOYSA-N"	"336.0"	"2"	"4"	"FALSE"	"FALSE"
"2231"	"89648-76-0"			"Public_CrossChecked"	"CCCC[C@H](C)[C@H](O)C#C[C@H]1CCC(=O)[C@@H]1CC=CCCCC(=O)OC"	"CC(CCCC)C(O)C#CC1CCC(=O)C1CC=CCCCC(=O)OC"	"?"	"InChI=1S/C22H34O4/c1-4-5-10-17(2)20(23)15-13-18-14-16-21(24)19(18)11-8-6-7-9-12-22(25)26-3/h6,8,17-20,23H,4-5,7,9-12,14,16H2,1-3H3"	"WPNSDQNZGLPFNT-UHFFFAOYSA-N"	"338.0"	"2"	"4"	"FALSE"	"FALSE"
"2232"	"83-66-9"	"DTXSID7025689"	"Musk ambrette"	"EPA_DSSTox"	"COC1=C(C=C(C(C)=C1[N+]([O-])=O)[N+]([O-])=O)C(C)(C)C"	"CC1C(=C(OC)C(=CC=1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O"	"?"	"InChI=1S/C12H16N2O5/c1-7-9(13(15)16)6-8(12(2,3)4)11(19-5)10(7)14(17)18/h6H,1-5H3"	"SUAUILGSCPYJCS-UHFFFAOYSA-N"	"339.0"	"2"	"4"	"FALSE"	"FALSE"
"2233"	"4549-43-3"	"DTXSID90196527"	"N-Nitroso-N-methylallylamine"	"EPA_DSSTox"	"CN(CC=C)N=O"	"CN(CC=C)N=O"	"?"	"InChI=1S/C4H8N2O/c1-3-4-6(2)5-7/h3H,1,4H2,2H3"	"OWSNZTOUPZXKPJ-UHFFFAOYSA-N"	"340.0"	"2"	"4"	"FALSE"	"FALSE"
"2234"	"2431-50-7"	"DTXSID6027474"	"2,3,4-Trichloro-1-butene"	"EPA_DSSTox"	"ClCC(Cl)C(Cl)=C"	"C=C(Cl)C(Cl)CCl"	"?"	"InChI=1S/C4H5Cl3/c1-3(6)4(7)2-5/h4H,1-2H2"	"WZUZDBPJFHQVJC-UHFFFAOYSA-N"	"341.0"	"2"	"4"	"FALSE"	"FALSE"
"2235"	"4636-83-3"			"Public_CrossChecked"	"[Cl-].[Cl-].CC1COCC(C)N1C(=O)C[N+]1=CC=C(C=C1)C1=CC=[N+](CC(=O)N2C(C)COCC2C)C=C1"	"CC1COCC(C)N1C(=O)C[N+]1C=CC(=CC=1)C1C=C[N+](CC(=O)N2C(C)COCC2C)=CC=1"	"[Cl-].[Cl-]"	"InChI=1S/C26H36N4O4/c1-19-15-33-16-20(2)29(19)25(31)13-27-9-5-23(6-10-27)24-7-11-28(12-8-24)14-26(32)30-21(3)17-34-18-22(30)4/h5-12,19-22H,13-18H2,1-4H3/q+2"	"UBAQQOLXBOKEHR-UHFFFAOYSA-N"	"345.0"	"2"	"4"	"FALSE"	"FALSE"
"2236"	"7203-92-1"			"Public_CrossChecked"	"COc1ccc(cc1)N=NN(C)C"	"COC1C=CC(=CC=1)N=NN(C)C"	"?"	"InChI=1S/C9H13N3O/c1-12(2)11-10-8-4-6-9(13-3)7-5-8/h4-7H,1-3H3"	"QPTMKAGSZAYAPZ-UHFFFAOYSA-N"	"347.0"	"2"	"4"	"FALSE"	"FALSE"
"2237"	"98-94-2"	"DTXSID9026633"	"N,N-Dimethylcyclohexylamine"	"EPA_DSSTox"	"CN(C)C1CCCCC1"	"CN(C)C1CCCCC1"	"?"	"InChI=1S/C8H17N/c1-9(2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3"	"SVYKKECYCPFKGB-UHFFFAOYSA-N"	"348.0"	"2"	"4"	"FALSE"	"FALSE"
"2238"	"109593-75-1"	"DTXSID50148986"	"Triethylamine, 2-(3,5-dibromo-2-pentyloxybenzyloxy)-"	"EPA_DSSTox"	"CCCCCOC1=C(Br)C=C(Br)C=C1COCCN(CC)CC"	"CCCCCOC1C(COCCN(CC)CC)=CC(Br)=CC=1Br"	"?"	"InChI=1S/C18H29Br2NO2/c1-4-7-8-10-23-18-15(12-16(19)13-17(18)20)14-22-11-9-21(5-2)6-3/h12-13H,4-11,14H2,1-3H3"	"LQXINFJRTAAUGV-UHFFFAOYSA-N"	"350.0"	"2"	"4"	"FALSE"	"FALSE"
"2239"	"1508-27-6"			"Public_CrossChecked"	"OP(O)(O)=O.CN(C)CCCN1c2ccccc2Sc2ccccc12"	"CN(C)CCCN1C2=CC=CC=C2SC2C=CC=CC1=2"	"OP(=O)(O)O"	"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"	"350.0"	"2"	"4"	"FALSE"	"FALSE"
"2240"	"25726-97-0"	"DTXSID00180412"	"Pyrazole, 1-((trichloromethyl)thio)-"	"EPA_DSSTox"	"ClC(Cl)(Cl)SN1C=CC=N1"	"ClC(Cl)(Cl)SN1C=CC=N1"	"?"	"InChI=1S/C4H3Cl3N2S/c5-4(6,7)10-9-3-1-2-8-9/h1-3H"	"VDRPADALJJQJTN-UHFFFAOYSA-N"	"350.0"	"2"	"4"	"FALSE"	"FALSE"
"2241"	"37128-40-8"			"Public_CrossChecked"	"CC(C)C1=Nc2ccccc2C1=C(N)c1cccnc1"	"CC(C)C1=NC2C=CC=CC=2C1C(=N)C1=CN=CC=C1"	"?"	"InChI=1S/C17H17N3/c1-11(2)17-15(13-7-3-4-8-14(13)20-17)16(18)12-6-5-9-19-10-12/h3-11,15,18H,1-2H3"	"RCPUCXSOYFKRAC-UHFFFAOYSA-N"	"350.0"	"2"	"4"	"FALSE"	"FALSE"
"2242"	"58-40-2"	"DTXSID2023517"	"Promazine"	"EPA_DSSTox"	"CN(C)CCCN1C2=CC=CC=C2SC2=C1C=CC=C2"	"CN(C)CCCN1C2=CC=CC=C2SC2C=CC=CC1=2"	"?"	"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"	"350.0"	"2"	"4"	"FALSE"	"FALSE"
"2243"	"63717-18-0"			"Public_CrossChecked"	"COP(=S)(OC)SC1OCCOC1SP(=S)(OC)OC"	"COP(=S)(OC)SC1OCCOC1SP(=S)(OC)OC"	"?"	"InChI=1S/C8H18O6P2S4/c1-9-15(17,10-2)19-7-8(14-6-5-13-7)20-16(18,11-3)12-4/h7-8H,5-6H2,1-4H3"	"KWTKYUMSKMZZLF-UHFFFAOYSA-N"	"350.0"	"2"	"4"	"FALSE"	"FALSE"
"2244"	"959-52-4"	"DTXSID8052645"	"Hexahydro-1,3,5-tris(1-oxoallyl)-1,3,5-triazine"	"EPA_DSSTox"	"C=CC(=O)N1CN(CN(C1)C(=O)C=C)C(=O)C=C"	"C=CC(=O)N1CN(CN(C1)C(=O)C=C)C(=O)C=C"	"?"	"InChI=1S/C12H15N3O3/c1-4-10(16)13-7-14(11(17)5-2)9-15(8-13)12(18)6-3/h4-6H,1-3,7-9H2"	"FYBFGAFWCBMEDG-UHFFFAOYSA-N"	"350.0"	"2"	"4"	"FALSE"	"FALSE"
"2245"	"24033-18-9"			"Public_CrossChecked"	"OC1(N2CCN=C2c2ccccc12)c1ccc(cc1)C(F)(F)F"	"OC1(C2C=CC=CC=2C2=NCCN12)C1C=CC(=CC=1)C(F)(F)F"	"?"	"InChI=1S/C17H13F3N2O/c18-17(19,20)12-7-5-11(6-8-12)16(23)14-4-2-1-3-13(14)15-21-9-10-22(15)16/h1-8,23H,9-10H2"	"GOLJCLWIKGHNDS-UHFFFAOYSA-N"	"353.0"	"2"	"4"	"FALSE"	"FALSE"
"2246"	"81996-58-9"	"DTXSID60231499"	"Theophylline, 7-(4-(4-(p-fluorophenyl)-1-piperazinyl)butyl)-, dihydrochloride"	"EPA_DSSTox"	"Cl.Cl.CN1C2=C(N(CCCCN3CCN(CC3)C3=CC=C(F)C=C3)C=N2)C(=O)N(C)C1=O"	"CN1C(=O)C2=C(N=CN2CCCCN2CCN(CC2)C2C=CC(F)=CC=2)N(C)C1=O"	"Cl.Cl"	"InChI=1S/C21H27FN6O2/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"	"BSYZHQQVSDRYLI-UHFFFAOYSA-N"	"353.0"	"2"	"4"	"FALSE"	"FALSE"
"2247"	"7683-59-2"	"DTXSID4023175"	"Isoproterenol"	"EPA_DSSTox"	"CC(C)NCC(O)C1=CC=C(O)C(O)=C1"	"CC(C)NCC(O)C1=CC=C(O)C(O)=C1"	"?"	"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3"	"JWZZKOKVBUJMES-UHFFFAOYSA-N"	"355.0"	"2"	"4"	"FALSE"	"FALSE"
"2248"	"10457-90-6"	"DTXSID0022690"	"Bromperidol"	"EPA_DSSTox"	"OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Br)C=C1"	"OC1(CCN(CCCC(=O)C2C=CC(F)=CC=2)CC1)C1C=CC(Br)=CC=1"	"?"	"InChI=1S/C21H23BrFNO2/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"	"RKLNONIVDFXQRX-UHFFFAOYSA-N"	"359.0"	"2"	"4"	"FALSE"	"FALSE"
"2249"	"119-65-3"	"DTXSID2047644"	"Isoquinoline"	"EPA_DSSTox"	"C1=CC2=C(C=C1)C=NC=C2"	"C1=NC=CC2C=CC=CC=21"	"?"	"InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H"	"AWJUIBRHMBBTKR-UHFFFAOYSA-N"	"360.0"	"2"	"4"	"FALSE"	"FALSE"
"2250"	"4360-12-7"	"DTXSID6045537"	"Ajmaline"	"EPA_DSSTox"	"CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)C5=C(C=CC=C5)[C@]44C[C@@H](C2[C@H]4O)N3[C@@H]1O"	"CN1C2C3CC4C(CC)C(O)N3C3CC2(C(O)C43)C2=CC=CC=C12"	"?"	"InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3"	"CJDRUOGAGYHKKD-UHFFFAOYSA-N"	"360.0"	"2"	"4"	"FALSE"	"FALSE"
"2251"	"16401-80-2"	"DTXSID90167696"	"Delmetacin"	"EPA_DSSTox"	"CC1=C(CC(O)=O)C2=CC=CC=C2N1C(=O)C1=CC=CC=C1"	"CC1=C(CC(O)=O)C2C=CC=CC=2N1C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C18H15NO3/c1-12-15(11-17(20)21)14-9-5-6-10-16(14)19(12)18(22)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,21)"	"AZCOEIZFVQEQCU-UHFFFAOYSA-N"	"362.0"	"2"	"4"	"FALSE"	"FALSE"
"2252"	"14008-79-8"	"DTXSID5042615"	"3alpha-[(4-Chlorophenyl)phenylmethoxy]tropane hydrochloride"	"EPA_DSSTox"	"Cl.CN1[C@H]2CC[C@@H]1CC(C2)OC(C1=CC=CC=C1)C1=CC=C(Cl)C=C1"	"CN1C2CC(CC1CC2)OC(C1C=CC=CC=1)C1C=CC(Cl)=CC=1"	"Cl"	"InChI=1S/C21H24ClNO/c1-23-18-11-12-19(23)14-20(13-18)24-21(15-5-3-2-4-6-15)16-7-9-17(22)10-8-16/h2-10,18-21H,11-14H2,1H3"	"OCAXFDULERPAJM-UHFFFAOYSA-N"	"364.0"	"2"	"4"	"FALSE"	"FALSE"
"2253"	"83881-52-1"	"DTXSID2044268"	"Cetirizine dihydrochloride"	"EPA_DSSTox"	"Cl.Cl.OC(=O)COCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1"	"OC(=O)COCCN1CCN(CC1)C(C1C=CC=CC=1)C1C=CC(Cl)=CC=1"	"Cl.Cl"	"InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)"	"ZKLPARSLTMPFCP-UHFFFAOYSA-N"	"365.0"	"2"	"4"	"FALSE"	"FALSE"
"2254"	"100330-91-4"	"DTXSID60143169"	"Quinazopyrine"	"EPA_DSSTox"	"CN1N(C(C)=C(NC2=NC=NC3=CC=CC=C23)C1=O)C1=CC=CC=C1"	"CN1C(=O)C(NC2=NC=NC3C=CC=CC=32)=C(C)N1C1C=CC=CC=1"	"?"	"InChI=1S/C19H17N5O/c1-13-17(19(25)23(2)24(13)14-8-4-3-5-9-14)22-18-15-10-6-7-11-16(15)20-12-21-18/h3-12H,1-2H3,(H,20,21,22)"	"DXDFJGDFPHVRFF-UHFFFAOYSA-N"	"369.0"	"2"	"4"	"FALSE"	"FALSE"
"2255"	"119-39-1"	"DTXSID4025903"	"1(2H)-Phthalazinone"	"EPA_DSSTox"	"O=C1NN=CC2=CC=CC=C12"	"O=C1NN=CC2=CC=CC=C21"	"?"	"InChI=1S/C8H6N2O/c11-8-7-4-2-1-3-6(7)5-9-10-8/h1-5H,(H,10,11)"	"IJAPPYDYQCXOEF-UHFFFAOYSA-N"	"370.0"	"2"	"4"	"FALSE"	"FALSE"
"2256"	"33235-96-0"			"Public_CrossChecked"	"CCOC(C1=NCCCN1)c1ccc(Cl)c(Cl)c1"	"CCOC(C1NCCCN=1)C1=CC(Cl)=C(Cl)C=C1"	"?"	"InChI=1S/C13H16Cl2N2O/c1-2-18-12(13-16-6-3-7-17-13)9-4-5-10(14)11(15)8-9/h4-5,8,12H,2-3,6-7H2,1H3,(H,16,17)"	"KWYDMASCDYCJRP-UHFFFAOYSA-N"	"370.0"	"2"	"4"	"FALSE"	"FALSE"
"2257"	"71392-29-5"			"Public_CrossChecked"	"CC1CCCC2N(C)C=C(C(N)=O)C(=O)N12"	"CN1C=C(C(N)=O)C(=O)N2C1CCCC2C"	"?"	"InChI=1S/C11H17N3O2/c1-7-4-3-5-9-13(2)6-8(10(12)15)11(16)14(7)9/h6-7,9H,3-5H2,1-2H3,(H2,12,15)"	"PDYZVPFJLHCRGG-UHFFFAOYSA-N"	"370.0"	"2"	"4"	"FALSE"	"FALSE"
"2258"	"63610-08-2"	"DTXSID7057789"	"Indobufen"	"EPA_DSSTox"	"CCC(C(O)=O)C1=CC=C(C=C1)N1CC2=CC=CC=C2C1=O"	"CCC(C(O)=O)C1C=CC(=CC=1)N1CC2C=CC=CC=2C1=O"	"?"	"InChI=1S/C18H17NO3/c1-2-15(18(21)22)12-7-9-14(10-8-12)19-11-13-5-3-4-6-16(13)17(19)20/h3-10,15H,2,11H2,1H3,(H,21,22)"	"AYDXAULLCROVIT-UHFFFAOYSA-N"	"373.0"	"2"	"4"	"FALSE"	"FALSE"
"2259"	"143-71-5"	"DTXSID40162277"	"Hydrocodone bitartrate"	"EPA_DSSTox"	"O[C@H]([C@@H](O)C(O)=O)C(O)=O.[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@H](C4)[C@]1([H])CCC2=O"	"COC1C=CC2CC3C4CCC(=O)C5OC=1C=2C45CCN3C"	"[C@@H]([C@H](C(=O)O)O)(C(=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/h3,6,11-12,17H,4-5,7-9H2,1-2H3"	"LLPOLZWFYMWNKH-UHFFFAOYSA-N"	"375.0"	"2"	"4"	"FALSE"	"FALSE"
"2260"	"2990-22-9"	"DTXSID00184016"	"1-Propanol, 3,3'-(benzylimino)di-, dimethanesulfonate (ester), hydrochloride"	"EPA_DSSTox"	"Cl.CS(=O)(=O)OCCCN(CCCOS(C)(=O)=O)CC1=CC=CC=C1"	"CS(=O)(=O)OCCCN(CC1C=CC=CC=1)CCCOS(C)(=O)=O"	"Cl"	"InChI=1S/C15H25NO6S2/c1-23(17,18)21-12-6-10-16(11-7-13-22-24(2,19)20)14-15-8-4-3-5-9-15/h3-5,8-9H,6-7,10-14H2,1-2H3"	"HXBBIXGEGBTYNK-UHFFFAOYSA-N"	"375.0"	"2"	"4"	"FALSE"	"FALSE"
"2261"	"3415-57-4"	"DTXSID30187757"	"1-Propanol, 3,3'-(ethylimino)di-, dimethanesulfonate (ester), hydrochloride"	"EPA_DSSTox"	"Cl.CCN(CCCOS(C)(=O)=O)CCCOS(C)(=O)=O"	"CCN(CCCOS(C)(=O)=O)CCCOS(C)(=O)=O"	"Cl"	"InChI=1S/C10H23NO6S2/c1-4-11(7-5-9-16-18(2,12)13)8-6-10-17-19(3,14)15/h4-10H2,1-3H3"	"JDOVTLKVLSSUEN-UHFFFAOYSA-N"	"375.0"	"2"	"4"	"FALSE"	"FALSE"
"2262"	"63979-77-1"	"DTXSID50213840"	"7H-Pyrazolo(3,4-c)pyridin-7-one, 1,6-dihydro-3-ethyl-1-(4-fluorophenyl)-"	"EPA_DSSTox"	"CCC1=NN(C2=C1C=CNC2=O)C1=CC=C(F)C=C1"	"CCC1=NN(C2C(=O)NC=CC=21)C1C=CC(F)=CC=1"	"?"	"InChI=1S/C14H12FN3O/c1-2-12-11-7-8-16-14(19)13(11)18(17-12)10-5-3-9(15)4-6-10/h3-8H,2H2,1H3,(H,16,19)"	"ULWVYGBMCGZXKZ-UHFFFAOYSA-N"	"375.0"	"2"	"4"	"FALSE"	"FALSE"
"2263"	"107-59-5"	"DTXSID7059351"	"Acetic acid, chloro-, 1,1-dimethylethyl ester"	"EPA_DSSTox"	"CC(C)(C)OC(=O)CCl"	"CC(C)(C)OC(=O)CCl"	"?"	"InChI=1S/C6H11ClO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3"	"KUYMVWXKHQSIAS-UHFFFAOYSA-N"	"380.0"	"2"	"4"	"FALSE"	"FALSE"
"2264"	"143-16-8"	"DTXSID1022009"	"Dihexylamine"	"EPA_DSSTox"	"CCCCCCNCCCCCC"	"CCCCCCNCCCCCC"	"?"	"InChI=1S/C12H27N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h13H,3-12H2,1-2H3"	"PXSXRABJBXYMFT-UHFFFAOYSA-N"	"380.0"	"2"	"4"	"FALSE"	"FALSE"
"2265"	"4549-44-4"	"DTXSID50196528"	"N-Ethyl-N-butylnitrosamine"	"EPA_DSSTox"	"CCCCN(CC)N=O"	"CCCCN(CC)N=O"	"?"	"InChI=1S/C6H14N2O/c1-3-5-6-8(4-2)7-9/h3-6H2,1-2H3"	"ZGMCNGHHUQZNIH-UHFFFAOYSA-N"	"380.0"	"2"	"4"	"FALSE"	"FALSE"
"2266"	"99-92-3"	"DTXSID6052669"	"4-Aminoacetophenone"	"EPA_DSSTox"	"CC(=O)C1=CC=C(N)C=C1"	"CC(=O)C1C=CC(N)=CC=1"	"?"	"InChI=1S/C8H9NO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H3"	"GPRYKVSEZCQIHD-UHFFFAOYSA-N"	"381.0"	"2"	"4"	"FALSE"	"FALSE"
"2267"	"89194-77-4"	"DTXSID30237569"	"Bisaramil"	"EPA_DSSTox"	"CCN1C[C@@H]2CN(C)C[C@H](C1)C2OC(=O)C1=CC=C(Cl)C=C1"	"CN1CC2CN(CC(C1)C2OC(=O)C1C=CC(Cl)=CC=1)CC"	"?"	"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"	"383.0"	"2"	"4"	"FALSE"	"FALSE"
"2268"	"2988-32-1"			"Public_CrossChecked"	"Cl.CN(C)CCC1(C=Cc2ccccc12)c1ccccc1"	"CN(C)CCC1(C=CC2=CC=CC=C12)C1C=CC=CC=1"	"Cl"	"InChI=1S/C19H21N/c1-20(2)15-14-19(17-9-4-3-5-10-17)13-12-16-8-6-7-11-18(16)19/h3-13H,14-15H2,1-2H3"	"KAQPNQMPHIRKJJ-UHFFFAOYSA-N"	"385.0"	"2"	"4"	"FALSE"	"FALSE"
"2269"	"3819-00-9"	"DTXSID7023481"	"Piperacetazine"	"EPA_DSSTox"	"CC(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN2CCC(CCO)CC2)C=C1"	"CC(=O)C1=CC2=C(C=C1)SC1=CC=CC=C1N2CCCN1CCC(CCO)CC1"	"?"	"InChI=1S/C24H30N2O2S/c1-18(28)20-7-8-24-22(17-20)26(21-5-2-3-6-23(21)29-24)13-4-12-25-14-9-19(10-15-25)11-16-27/h2-3,5-8,17,19,27H,4,9-16H2,1H3"	"BTFMCMVEUCGQDX-UHFFFAOYSA-N"	"390.0"	"2"	"4"	"FALSE"	"FALSE"
"2270"	"62295-52-7"	"DTXSID40211350"	"(2-Methyl-1-(2-piperidino-1-ethyl)-2-(1,4-dihydro-4-pyridylidene))-1,3-indenedione"	"EPA_DSSTox"	"CC1=CC(C=CN1CCN1CCCCC1)=C1C(=O)C2=CC=CC=C2C1=O"	"CC1=CC(C=CN1CCN1CCCCC1)=C1C(=O)C2=CC=CC=C2C1=O"	"?"	"InChI=1S/C22H24N2O2/c1-16-15-17(9-12-24(16)14-13-23-10-5-2-6-11-23)20-21(25)18-7-3-4-8-19(18)22(20)26/h3-4,7-9,12,15H,2,5-6,10-11,13-14H2,1H3"	"XSIKFXCUMRSDMZ-UHFFFAOYSA-N"	"390.0"	"2"	"4"	"FALSE"	"FALSE"
"2271"	"111470-99-6"	"DTXSID2043909"	"Amlodipine besylate"	"EPA_DSSTox"	"OS(=O)(=O)C1=CC=CC=C1.CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=CC=CC=C1Cl)C(=O)OC"	"CC1NC(COCCN)=C(C(C=1C(=O)OC)C1=CC=CC=C1Cl)C(=O)OCC"	"S(=O)(=O)(C1=CC=CC=C1)O"	"InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3"	"HTIQEAQVCYTUBX-UHFFFAOYSA-N"	"393.0"	"2"	"4"	"FALSE"	"FALSE"
"2272"	"2622-26-6"	"DTXSID5045910"	"Periciazine"	"EPA_DSSTox"	"OC1CCN(CCCN2C3=CC=CC=C3SC3=CC=C(C=C23)C#N)CC1"	"N#CC1=CC2=C(C=C1)SC1C=CC=CC=1N2CCCN1CCC(O)CC1"	"?"	"InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2"	"LUALIOATIOESLM-UHFFFAOYSA-N"	"395.0"	"2"	"4"	"FALSE"	"FALSE"
"2273"	"59729-31-6"	"DTXSID2023226"	"Lorcainide"	"EPA_DSSTox"	"CC(C)N1CCC(CC1)N(C(=O)CC1=CC=CC=C1)C1=CC=C(Cl)C=C1"	"CC(C)N1CCC(CC1)N(C(=O)CC1C=CC=CC=1)C1C=CC(Cl)=CC=1"	"?"	"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"	"395.0"	"2"	"4"	"FALSE"	"FALSE"
"2274"	"1743-13-1"	"DTXSID90169812"	"Tetraformaltrisazine"	"EPA_DSSTox"	"C1NNCN2CNNCN12"	"C1NNCN2CNNCN21"	"?"	"InChI=1S/C4H12N6/c1-5-6-3-10-4-8-7-2-9(1)10/h5-8H,1-4H2"	"RRIGVQQUVAETIG-UHFFFAOYSA-N"	"397.0"	"2"	"4"	"FALSE"	"FALSE"
"2275"	"108-48-5"	"DTXSID7051557"	"2,6-Dimethylpyridine"	"EPA_DSSTox"	"CC1=CC=CC(C)=N1"	"CC1C=CC=C(C)N=1"	"?"	"InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3"	"OISVCGZHLKNMSJ-UHFFFAOYSA-N"	"400.0"	"2"	"4"	"FALSE"	"FALSE"
"2276"	"111-19-3"	"DTXSID3059397"	"Decanedioyl dichloride"	"EPA_DSSTox"	"ClC(=O)CCCCCCCCC(Cl)=O"	"O=C(Cl)CCCCCCCCC(=O)Cl"	"?"	"InChI=1S/C10H16Cl2O2/c11-9(13)7-5-3-1-2-4-6-8-10(12)14/h1-8H2"	"WMPOZLHMGVKUEJ-UHFFFAOYSA-N"	"400.0"	"2"	"4"	"FALSE"	"FALSE"
"2277"	"137927-74-3"	"DTXSID90160400"	"Acetic acid, ((6-(4-fluorophenoxy)-4-pyrimidinyl)thio)-, hydrazide"	"EPA_DSSTox"	"NNC(=O)CSC1=NC=NC(OC2=CC=C(F)C=C2)=C1"	"NNC(=O)CSC1C=C(N=CN=1)OC1C=CC(F)=CC=1"	"?"	"InChI=1S/C12H11FN4O2S/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)"	"OENZEBSYOMLZSJ-UHFFFAOYSA-N"	"400.0"	"2"	"4"	"FALSE"	"FALSE"
"2278"	"16588-67-3"	"DTXSID1051775"	"Disperse Red 88"	"EPA_DSSTox"	"CCN(CCC#N)C1=CC=C(N=NC2=NC3=C(S2)C=C(C=C3)S(C)(=O)=O)C(C)=C1"	"CC1C=C(C=CC=1N=NC1=NC2=CC=C(C=C2S1)S(C)(=O)=O)N(CCC#N)CC"	"?"	"InChI=1S/C20H21N5O2S2/c1-4-25(11-5-10-21)15-6-8-17(14(2)12-15)23-24-20-22-18-9-7-16(29(3,26)27)13-19(18)28-20/h6-9,12-13H,4-5,11H2,1-3H3"	"IMWICXCTLULCFP-UHFFFAOYSA-N"	"400.0"	"2"	"4"	"FALSE"	"FALSE"
"2279"	"2154-02-1"			"Public_CrossChecked"	"COc1cc2CCN(C)C(CCc3ccc(Cl)cc3)c2cc1OC"	"COC1=CC2CCN(C)C(CCC3C=CC(Cl)=CC=3)C=2C=C1OC"	"?"	"InChI=1S/C20H24ClNO2/c1-22-11-10-15-12-19(23-2)20(24-3)13-17(15)18(22)9-6-14-4-7-16(21)8-5-14/h4-5,7-8,12-13,18H,6,9-11H2,1-3H3"	"YBCPYHQFUMNOJG-UHFFFAOYSA-N"	"400.0"	"2"	"4"	"FALSE"	"FALSE"
"2280"	"25237-06-3"			"Public_CrossChecked"	"ClC(Cl)C(Cl)C(Cl)C(Cl)Cl"	"ClC(Cl)C(Cl)C(Cl)C(Cl)Cl"	"?"	"InChI=1S/C4H4Cl6/c5-1(3(7)8)2(6)4(9)10/h1-4H"	"SFLXALQSXXPXLU-UHFFFAOYSA-N"	"400.0"	"2"	"4"	"FALSE"	"FALSE"
"2281"	"3598-37-6"	"DTXSID6047783"	"Acetopromazine maleate"	"EPA_DSSTox"	"OC(=O)\C=C/C(O)=O.CN(C)CCCN1C2=C(SC3=C1C=C(C=C3)C(C)=O)C=CC=C2"	"CN(C)CCCN1C2C=C(C=CC=2SC2C=CC=CC1=2)C(C)=O"	"C(/C=C\C(=O)O)(=O)O"	"InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3"	"NOSIYYJFMPDDSA-UHFFFAOYSA-N"	"400.0"	"2"	"4"	"FALSE"	"FALSE"
"2282"	"494-47-3"	"DTXSID30877702"	"Hydrofuramide"	"EPA_DSSTox"	"O1C=CC=C1\C=N\C(\N=C\C1=CC=CO1)C1=CC=CO1"	"C(=NC(N=CC1=CC=CO1)C1=CC=CO1)C1=CC=CO1"	"?"	"InChI=1S/C15H12N2O3/c1-4-12(18-7-1)10-16-15(14-6-3-9-20-14)17-11-13-5-2-8-19-13/h1-11,15H"	"CYGDSXFTXXFMNI-UHFFFAOYSA-N"	"400.0"	"2"	"4"	"FALSE"	"FALSE"
"2283"	"538-75-0"	"DTXSID1023817"	"Dicyclohexylcarbodiimide"	"EPA_DSSTox"	"C1CCC(CC1)N=C=NC1CCCCC1"	"C1CCCCC1N=C=NC1CCCCC1"	"?"	"InChI=1S/C13H22N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h12-13H,1-10H2"	"QOSSAOTZNIDXMA-UHFFFAOYSA-N"	"400.0"	"2"	"4"	"FALSE"	"FALSE"
"2284"	"62708-54-7"	"DTXSID60886504"	"1,4-Naphthalenediamine, N1,N1-dimethyl-, hydrochloride (1:2)"	"EPA_DSSTox"	"Cl.Cl.CN(C)C1=CC=C(N)C2=C1C=CC=C2"	"CN(C)C1=CC=C(N)C2C=CC=CC=21"	"Cl.Cl"	"InChI=1S/C12H14N2/c1-14(2)12-8-7-11(13)9-5-3-4-6-10(9)12/h3-8H,13H2,1-2H3"	"HLHYXKMOBCRCRR-UHFFFAOYSA-N"	"400.0"	"2"	"4"	"FALSE"	"FALSE"
"2285"	"700-07-2"			"Public_CrossChecked"	"CNc1snc2ccccc12"	"CNC1SN=C2C=CC=CC2=1"	"?"	"InChI=1S/C8H8N2S/c1-9-8-6-4-2-3-5-7(6)10-11-8/h2-5,9H,1H3"	"ARUJVDNZYGIUGB-UHFFFAOYSA-N"	"400.0"	"2"	"4"	"FALSE"	"FALSE"
"2286"	"869-01-2"	"DTXSID2020214"	"N-Butyl-N-nitrosourea"	"EPA_DSSTox"	"CCCCN(N=O)C(N)=O"	"CCCCN(N=O)C(N)=O"	"?"	"InChI=1S/C5H11N3O2/c1-2-3-4-8(7-10)5(6)9/h2-4H2,1H3,(H2,6,9)"	"LSWOCDLIYSKTRX-UHFFFAOYSA-N"	"400.0"	"2"	"4"	"FALSE"	"FALSE"
"2287"	"98-57-7"	"DTXSID3023974"	"4-Chlorophenyl methyl sulfone"	"EPA_DSSTox"	"CS(=O)(=O)C1=CC=C(Cl)C=C1"	"CS(=O)(=O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C7H7ClO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3"	"LMCOQDVJBWVNNI-UHFFFAOYSA-N"	"400.0"	"2"	"4"	"FALSE"	"FALSE"
"2288"	"36085-73-1"	"DTXSID20189669"	"Talipexole dihydrochloride"	"EPA_DSSTox"	"Cl.Cl.NC1=NC2=C(CCN(CC=C)CC2)S1"	"C=CCN1CCC2SC(N)=NC=2CC1"	"Cl.Cl"	"InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)"	"DHSSDEDRBUKTQY-UHFFFAOYSA-N"	"403.0"	"2"	"4"	"FALSE"	"FALSE"
"2289"	"894-71-3"	"DTXSID2045109"	"Nortriptyline hdrochloride"	"EPA_DSSTox"	"Cl.CNCCC=C1C2=C(CCC3=C1C=CC=C3)C=CC=C2"	"CNCC/C=C1\C2=CC=CC=C2CCC2C=CC=CC=2\1"	"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/h2-5,7-11,20H,6,12-14H2,1H3"	"PHVGLTMQBUFIQQ-UHFFFAOYSA-N"	"405.0"	"2"	"4"	"FALSE"	"FALSE"
"2290"	"17756-81-9"	"DTXSID10170344"	"Acetamide, 2-chloro-N-(2-cyanoethyl)-"	"EPA_DSSTox"	"ClCC(=O)NCCC#N"	"N#CCCNC(=O)CCl"	"?"	"InChI=1S/C5H7ClN2O/c6-4-5(9)8-3-1-2-7/h1,3-4H2,(H,8,9)"	"WECIKJKLCDCIMY-UHFFFAOYSA-N"	"410.0"	"2"	"4"	"FALSE"	"FALSE"
"2291"	"542-56-3"	"DTXSID3020750"	"Isobutyl nitrite"	"EPA_DSSTox"	"CC(C)CON=O"	"CC(C)CON=O"	"?"	"InChI=1S/C4H9NO2/c1-4(2)3-7-5-6/h4H,3H2,1-2H3"	"APNSGVMLAYLYCT-UHFFFAOYSA-N"	"410.0"	"2"	"4"	"FALSE"	"FALSE"
"2292"	"594-72-9"	"DTXSID4021638"	"1,1-Dichloro-1-nitroethane"	"EPA_DSSTox"	"CC(Cl)(Cl)[N+]([O-])=O"	"CC(Cl)(Cl)[N+]([O-])=O"	"?"	"InChI=1S/C2H3Cl2NO2/c1-2(3,4)5(6)7/h1H3"	"OQOGEOLRYAOSKO-UHFFFAOYSA-N"	"410.0"	"2"	"4"	"FALSE"	"FALSE"
"2293"	"6899-10-1"	"DTXSID3047978"	"Hexadecyltrimethylammonium"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCC[N+](C)(C)C"	"CCCCCCCCCCCCCCCC[N+](C)(C)C"	"?"	"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"	"410.0"	"2"	"4"	"FALSE"	"FALSE"
"2294"	"3671-00-9"			"Public_CrossChecked"	"CN1CCC(C1)c1c[nH]c2ccccc12"	"CN1CC(CC1)C1=CNC2=CC=CC=C12"	"?"	"InChI=1S/C13H16N2/c1-15-7-6-10(9-15)12-8-14-13-5-3-2-4-11(12)13/h2-5,8,10,14H,6-7,9H2,1H3"	"GIUCRWSFDBHBDT-UHFFFAOYSA-N"	"413.0"	"2"	"4"	"FALSE"	"FALSE"
"2295"	"24095-80-5"	"DTXSID00178819"	"Ciba 2696-Go"	"EPA_DSSTox"	"CNC(=S)NNC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F"	"CNC(=S)NNC1C=C(C=C(C=1)C(F)(F)F)C(F)(F)F"	"?"	"InChI=1S/C10H9F6N3S/c1-17-8(20)19-18-7-3-5(9(11,12)13)2-6(4-7)10(14,15)16/h2-4,18H,1H3,(H2,17,19,20)"	"ORMMCUAXJAUNIG-UHFFFAOYSA-N"	"414.0"	"2"	"4"	"FALSE"	"FALSE"
"2296"	"106635-81-8"			"Public_CrossChecked"	"OC(=O)CCC(O)=O.COc1cc(C)c2c(Oc3cccc(c3)C(F)(F)F)c(OC)cc(NC(C)CCCN)c2n1"	"CC1C=C(N=C2C=1C(OC1=CC(=CC=C1)C(F)(F)F)=C(C=C2NC(C)CCCN)OC)OC"	"C(CC(=O)O)C(=O)O"	"InChI=1S/C24H28F3N3O3/c1-14-11-20(32-4)30-22-18(29-15(2)7-6-10-28)13-19(31-3)23(21(14)22)33-17-9-5-8-16(12-17)24(25,26)27/h5,8-9,11-13,15,29H,6-7,10,28H2,1-4H3"	"LBHLFPGPEGDCJG-UHFFFAOYSA-N"	"416.0"	"2"	"4"	"FALSE"	"FALSE"
"2297"	"371-40-4"	"DTXSID9022027"	"4-Fluoroaniline"	"EPA_DSSTox"	"NC1=CC=C(F)C=C1"	"NC1=CC=C(F)C=C1"	"?"	"InChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2"	"KRZCOLNOCZKSDF-UHFFFAOYSA-N"	"417.0"	"2"	"4"	"FALSE"	"FALSE"
"2298"	"1091-11-8"	"DTXSID80148813"	"4-Morpholineacetic acid, (5-nitrofurfurylidene)hydrazide"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC=C(O1)\C=N\NC(=O)CN1CCOCC1"	"[O-][N+](=O)C1=CC=C(C=NNC(=O)CN2CCOCC2)O1"	"?"	"InChI=1S/C11H14N4O5/c16-10(8-14-3-5-19-6-4-14)13-12-7-9-1-2-11(20-9)15(17)18/h1-2,7H,3-6,8H2,(H,13,16)"	"VMDOZZHWILGPKU-UHFFFAOYSA-N"	"420.0"	"2"	"4"	"FALSE"	"FALSE"
"2299"	"1631-52-3"			"Public_CrossChecked"	"OC(=O)C([O-])=O.C[NH+](C)C1CSSC1"	"CN(C)C1CSSC1"	"C(=O)(C(=O)[O-])O"	"InChI=1S/C5H11NS2/c1-6(2)5-3-7-8-4-5/h5H,3-4H2,1-2H3"	"DSOOGBGKEWZRIH-UHFFFAOYSA-N"	"420.0"	"2"	"4"	"FALSE"	"FALSE"
"2300"	"503-87-7"	"DTXSID2060121"	"4-Imidazolidinone, 2-thioxo-"	"EPA_DSSTox"	"O=C1CNC(=S)N1"	"O=C1CNC(=S)N1"	"?"	"InChI=1S/C3H4N2OS/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)"	"UGWULZWUXSCWPX-UHFFFAOYSA-N"	"420.0"	"2"	"4"	"FALSE"	"FALSE"
"2301"	"63307-61-9"			"Public_CrossChecked"	"OC(=O)C=CC(O)=O.CN(C1CCN(C1)C1CCCCC1)C(=O)c1ccc(N)cc1"	"CN(C1CN(CC1)C1CCCCC1)C(=O)C1C=CC(N)=CC=1"	"C(=C/C(=O)O)\C(=O)O"	"InChI=1S/C18H27N3O/c1-20(18(22)14-7-9-15(19)10-8-14)17-11-12-21(13-17)16-5-3-2-4-6-16/h7-10,16-17H,2-6,11-13,19H2,1H3"	"BCZLLYRBOISBCG-UHFFFAOYSA-N"	"422.0"	"2"	"4"	"FALSE"	"FALSE"
"2302"	"119-12-0"	"DTXSID2042355"	"Pyridaphenthion"	"EPA_DSSTox"	"CCOP(=S)(OCC)OC1=NN(C(=O)C=C1)C1=CC=CC=C1"	"CCOP(=S)(OC1C=CC(=O)N(N=1)C1C=CC=CC=1)OCC"	"?"	"InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3"	"CXJSOEPQXUCJSA-UHFFFAOYSA-N"	"424.0"	"2"	"4"	"FALSE"	"FALSE"
"2303"	"74711-43-6"	"DTXSID0049076"	"Zaltoprofen"	"EPA_DSSTox"	"CC(C(O)=O)C1=CC2=C(SC3=C(C=CC=C3)C(=O)C2)C=C1"	"CC(C(O)=O)C1=CC2CC(=O)C3C=CC=CC=3SC=2C=C1"	"?"	"InChI=1S/C17H14O3S/c1-10(17(19)20)11-6-7-15-12(8-11)9-14(18)13-4-2-3-5-16(13)21-15/h2-8,10H,9H2,1H3,(H,19,20)"	"MUXFZBHBYYYLTH-UHFFFAOYSA-N"	"425.0"	"2"	"4"	"FALSE"	"FALSE"
"2304"	"36518-74-8"			"Public_CrossChecked"	"CCCOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl"	"CCCOC1C(Cl)=C(Cl)C(Cl)=C(Cl)C=1Cl"	"?"	"InChI=1S/C9H7Cl5O/c1-2-3-15-9-7(13)5(11)4(10)6(12)8(9)14/h2-3H2,1H3"	"GJMNJUGLIPUBHJ-UHFFFAOYSA-N"	"430.0"	"2"	"4"	"FALSE"	"FALSE"
"2305"	"21586-21-0"			"Public_CrossChecked"	"CC(N)CC(C)(C)N"	"CC(N)CC(C)(C)N"	"?"	"InChI=1S/C6H16N2/c1-5(7)4-6(2,3)8/h5H,4,7-8H2,1-3H3"	"PCXAQLMRLMZKRL-UHFFFAOYSA-N"	"431.0"	"2"	"4"	"FALSE"	"FALSE"
"2306"	"33693-04-8"	"DTXSID1042445"	"Terbumeton"	"EPA_DSSTox"	"CCNC1=NC(OC)=NC(NC(C)(C)C)=N1"	"CCNC1N=C(NC(C)(C)C)N=C(N=1)OC"	"?"	"InChI=1S/C10H19N5O/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)"	"BCQMBFHBDZVHKU-UHFFFAOYSA-N"	"433.0"	"2"	"4"	"FALSE"	"FALSE"
"2307"	"2152-34-3"	"DTXSID3023427"	"Pemoline"	"EPA_DSSTox"	"NC1=NC(=O)C(O1)C1=CC=CC=C1"	"NC1=NC(=O)C(O1)C1C=CC=CC=1"	"?"	"InChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12)"	"NRNCYVBFPDDJNE-UHFFFAOYSA-N"	"436.0"	"2"	"4"	"FALSE"	"FALSE"
"2308"	"69267-51-2"	"DTXSID00219332"	"2-Nitronaphtho(2,1-b)furan"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC2=C(O1)C=CC1=CC=CC=C21"	"[O-][N+](=O)C1=CC2C3=CC=CC=C3C=CC=2O1"	"?"	"InChI=1S/C12H7NO3/c14-13(15)12-7-10-9-4-2-1-3-8(9)5-6-11(10)16-12/h1-7H"	"HXRMBVOCHDEAQH-UHFFFAOYSA-N"	"439.0"	"2"	"4"	"FALSE"	"FALSE"
"2309"	"825-56-9"	"DTXSID80231799"	"1,3,4-Oxadiazole, 2-phenyl-"	"EPA_DSSTox"	"O1C=NN=C1C1=CC=CC=C1"	"C1=NN=C(O1)C1C=CC=CC=1"	"?"	"InChI=1S/C8H6N2O/c1-2-4-7(5-3-1)8-10-9-6-11-8/h1-6H"	"ZEOMRHKTIYBETG-UHFFFAOYSA-N"	"440.0"	"2"	"4"	"FALSE"	"FALSE"
"2310"	"95-87-4"	"DTXSID6025145"	"2,5-Dimethylphenol"	"EPA_DSSTox"	"CC1=CC(O)=C(C)C=C1"	"CC1=CC(O)=C(C)C=C1"	"?"	"InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3"	"NKTOLZVEWDHZMU-UHFFFAOYSA-N"	"444.0"	"2"	"4"	"FALSE"	"FALSE"
"2311"	"6933-90-0"	"DTXSID5046699"	"Clorprenaline hydrochloride"	"EPA_DSSTox"	"Cl.CC(C)NCC(O)C1=C(Cl)C=CC=C1"	"CC(C)NCC(O)C1C=CC=CC=1Cl"	"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"	"445.0"	"2"	"4"	"FALSE"	"FALSE"
"2312"	"1990-90-5"	"DTXSID90173676"	"3-Methyl-4-aminopyridine"	"EPA_DSSTox"	"CC1=C(N)C=CN=C1"	"CC1C=NC=CC=1N"	"?"	"InChI=1S/C6H8N2/c1-5-4-8-3-2-6(5)7/h2-4H,1H3,(H2,7,8)"	"VGJLGPCXUGIXRQ-UHFFFAOYSA-N"	"446.0"	"2"	"4"	"FALSE"	"FALSE"
"2313"	"32179-45-6"			"Public_CrossChecked"	"[Br-].C[N+]1(C)CCc2cc(Cl)ccc12"	"C[N+]1(C)CCC2=CC(Cl)=CC=C12"	"[Br-]"	"InChI=1S/C10H13ClN/c1-12(2)6-5-8-7-9(11)3-4-10(8)12/h3-4,7H,5-6H2,1-2H3/q+1"	"VTUMCCLYTIJGHE-UHFFFAOYSA-N"	"447.0"	"2"	"4"	"FALSE"	"FALSE"
"2314"	"112839-32-4"	"DTXSID8057936"	"Furconazole-cis"	"EPA_DSSTox"	"FC(F)(F)CO[C@@H]1CC[C@](CN2C=NC=N2)(O1)C1=C(Cl)C=C(Cl)C=C1"	"FC(F)(F)COC1CCC(CN2C=NC=N2)(O1)C1=CC=C(Cl)C=C1Cl"	"?"	"InChI=1S/C15H14Cl2F3N3O2/c16-10-1-2-11(12(17)5-10)14(6-23-9-21-8-22-23)4-3-13(25-14)24-7-15(18,19)20/h1-2,5,8-9,13H,3-4,6-7H2"	"ULCWZQJLFZEXCS-UHFFFAOYSA-N"	"450.0"	"2"	"4"	"FALSE"	"FALSE"
"2315"	"137927-79-8"	"DTXSID90160405"	"Acetic acid, ((6-(4-chlorophenoxy)-4-pyrimidinyl)thio)-, (1-methylethylidene)hydrazide"	"EPA_DSSTox"	"CC(C)=NNC(=O)CSC1=NC=NC(OC2=CC=C(Cl)C=C2)=C1"	"CC(C)=NNC(=O)CSC1=CC(=NC=N1)OC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C15H15ClN4O2S/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)"	"ABBBRDQSCRMVGC-UHFFFAOYSA-N"	"450.0"	"2"	"4"	"FALSE"	"FALSE"
"2316"	"2591-74-4"			"Public_CrossChecked"	"CCNP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl"	"COP(=S)(NCC)OC1C=C(Cl)C(Cl)=CC=1Cl"	"?"	"InChI=1S/C9H11Cl3NO2PS/c1-3-13-16(17,14-2)15-9-5-7(11)6(10)4-8(9)12/h4-5H,3H2,1-2H3,(H,13,17)"	"FHADYQBDCIGGEE-UHFFFAOYSA-N"	"450.0"	"2"	"4"	"FALSE"	"FALSE"
"2317"	"3244-90-4"	"DTXSID6032510"	"Aspon"	"EPA_DSSTox"	"CCCOP(=S)(OCCC)OP(=S)(OCCC)OCCC"	"CCCOP(=S)(OP(=S)(OCCC)OCCC)OCCC"	"?"	"InChI=1S/C12H28O5P2S2/c1-5-9-13-18(20,14-10-6-2)17-19(21,15-11-7-3)16-12-8-4/h5-12H2,1-4H3"	"IIDFEIDMIKSJSV-UHFFFAOYSA-N"	"450.0"	"2"	"4"	"FALSE"	"FALSE"
"2318"	"498-67-9"	"DTXSID7060099"	"(Dichlorofluoromethyl)benzene"	"EPA_DSSTox"	"FC(Cl)(Cl)C1=CC=CC=C1"	"FC(Cl)(Cl)C1C=CC=CC=1"	"?"	"InChI=1S/C7H5Cl2F/c8-7(9,10)6-4-2-1-3-5-6/h1-5H"	"OMEURKZGLJYCGS-UHFFFAOYSA-N"	"450.0"	"2"	"4"	"FALSE"	"FALSE"
"2319"	"64204-51-9"	"DTXSID20214420"	"Ethanimidamide, 2-((4-chlorophenyl)amino)-N-hydroxy-, dihydrochloride"	"EPA_DSSTox"	"Cl.Cl.N\C(CNC1=CC=C(Cl)C=C1)=N\O"	"NC(CNC1C=CC(Cl)=CC=1)N=O"	"Cl.Cl"	"InChI=1S/C8H10ClN3O/c9-6-1-3-7(4-2-6)11-5-8(10)12-13/h1-4,8,11H,5,10H2"	"SLIJGTHMLIMSSW-UHFFFAOYSA-N"	"450.0"	"2"	"4"	"FALSE"	"FALSE"
"2320"	"56296-78-7"	"DTXSID7020635"	"Fluoxetine hydrochloride"	"EPA_DSSTox"	"Cl.CNCCC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1"	"CNCCC(OC1C=CC(=CC=1)C(F)(F)F)C1C=CC=CC=1"	"Cl"	"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"	"452.0"	"2"	"4"	"FALSE"	"FALSE"
"2321"	"108-03-2"	"DTXSID1020980"	"1-Nitropropane"	"EPA_DSSTox"	"CCC[N+]([O-])=O"	"CCC[N+]([O-])=O"	"?"	"InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3"	"JSZOAYXJRCEYSX-UHFFFAOYSA-N"	"455.0"	"2"	"4"	"FALSE"	"FALSE"
"2322"	"30007-47-7"	"DTXSID1044560"	"5-Bromo-5-nitro-1,3-dioxane"	"EPA_DSSTox"	"[O-][N+](=O)C1(Br)COCOC1"	"[O-][N+](=O)C1(Br)COCOC1"	"?"	"InChI=1S/C4H6BrNO4/c5-4(6(7)8)1-9-3-10-2-4/h1-3H2"	"XVBRCOKDZVQYAY-UHFFFAOYSA-N"	"455.0"	"2"	"4"	"FALSE"	"FALSE"
"2323"	"106-40-1"	"DTXSID7021867"	"4-Bromoaniline"	"EPA_DSSTox"	"NC1=CC=C(Br)C=C1"	"NC1=CC=C(Br)C=C1"	"?"	"InChI=1S/C6H6BrN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2"	"WDFQBORIUYODSI-UHFFFAOYSA-N"	"456.0"	"2"	"4"	"FALSE"	"FALSE"
"2324"	"871-58-9"	"DTXSID40236129"	"Potassium butylxanthate"	"EPA_DSSTox"	"[K+].CCCCOC([S-])=S"	"CCCCOC(S)=S"	"[K+]"	"InChI=1S/C5H10OS2/c1-2-3-4-6-5(7)8/h2-4H2,1H3,(H,7,8)"	"TUZCOAQWCRRVIP-UHFFFAOYSA-N"	"456.0"	"2"	"4"	"FALSE"	"FALSE"
"2325"	"34681-23-7"	"DTXSID0041698"	"Butoxycarboxim"	"EPA_DSSTox"	"CNC(=O)O\N=C(/C)C(C)S(C)(=O)=O"	"CC(=NOC(=O)NC)C(C)S(C)(=O)=O"	"?"	"InChI=1S/C7H14N2O4S/c1-5(6(2)14(4,11)12)9-13-7(10)8-3/h6H,1-4H3,(H,8,10)"	"CTJBHIROCMPUKL-UHFFFAOYSA-N"	"458.0"	"2"	"4"	"FALSE"	"FALSE"
"2326"	"1508-65-2"	"DTXSID3045356"	"Oxybutynin chloride"	"EPA_DSSTox"	"Cl.CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1"	"CCN(CC#CCOC(=O)C(O)(C1CCCCC1)C1C=CC=CC=1)CC"	"Cl"	"InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3"	"XIQVNETUBQGFHX-UHFFFAOYSA-N"	"460.0"	"2"	"4"	"FALSE"	"FALSE"
"2327"	"42864-78-8"	"DTXSID5048633"	"Bevantolol hydrochloride"	"EPA_DSSTox"	"Cl.COC1=C(OC)C=C(CCNCC(O)COC2=CC(C)=CC=C2)C=C1"	"CC1C=C(C=CC=1)OCC(O)CNCCC1=CC(OC)=C(C=C1)OC"	"Cl"	"InChI=1S/C20H27NO4/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3"	"HXLAFSUPPDYFEO-UHFFFAOYSA-N"	"460.0"	"2"	"4"	"FALSE"	"FALSE"
"2328"	"68523-18-2"	"DTXSID3058161"	"Fenpirithrin"	"EPA_DSSTox"	"CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)C1=NC(OC2=CC=CC=C2)=CC=C1"	"CC1(C)C(C1C=C(Cl)Cl)C(=O)OC(C#N)C1=CC=CC(=N1)OC1=CC=CC=C1"	"?"	"InChI=1S/C21H18Cl2N2O3/c1-21(2)14(11-17(22)23)19(21)20(26)28-16(12-24)15-9-6-10-18(25-15)27-13-7-4-3-5-8-13/h3-11,14,16,19H,1-2H3"	"IHVPAVRHNZFQKC-UHFFFAOYSA-N"	"460.0"	"2"	"4"	"FALSE"	"FALSE"
"2329"	"24307-26-4"	"DTXSID1024170"	"Mepiquat chloride"	"EPA_DSSTox"	"[Cl-].C[N+]1(C)CCCCC1"	"C[N+]1(C)CCCCC1"	"[Cl-]"	"InChI=1S/C7H16N/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3/q+1"	"NNCAWEWCFVZOGF-UHFFFAOYSA-N"	"464.0"	"2"	"4"	"FALSE"	"FALSE"
"2330"	"7082-21-5"	"DTXSID1048968"	"Terodiline hydrochloride"	"EPA_DSSTox"	"Cl.CC(CC(C1=CC=CC=C1)C1=CC=CC=C1)NC(C)(C)C"	"CC(CC(C1C=CC=CC=1)C1C=CC=CC=1)NC(C)(C)C"	"Cl"	"InChI=1S/C20H27N/c1-16(21-20(2,3)4)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19,21H,15H2,1-4H3"	"UISARWKNNNHPGI-UHFFFAOYSA-N"	"465.0"	"2"	"4"	"FALSE"	"FALSE"
"2331"	"154-69-8"	"DTXSID6026248"	"Tripelennamine hydrochloride"	"EPA_DSSTox"	"Cl.CN(C)CCN(CC1=CC=CC=C1)C1=CC=CC=N1"	"CN(C)CCN(CC1C=CC=CC=1)C1=CC=CC=N1"	"Cl"	"InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3"	"UFLGIAIHIAPJJC-UHFFFAOYSA-N"	"469.0"	"2"	"4"	"FALSE"	"FALSE"
"2332"	"49866-87-7"	"DTXSID6043965"	"Difenzoquat"	"EPA_DSSTox"	"CN1C(=CC(C2=CC=CC=C2)=[N+]1C)C1=CC=CC=C1"	"CN1C(=CC(C2C=CC=CC=2)=[N+]1C)C1C=CC=CC=1"	"?"	"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"	"470.0"	"2"	"4"	"FALSE"	"FALSE"
"2333"	"2818-88-4"	"DTXSID3062653"	"Benzoselenazole, 2-methyl-"	"EPA_DSSTox"	"CC1=NC2=CC=CC=C2[Se]1"	"CC1=NC2C=CC=CC=2[Se]1"	"?"	"InChI=1S/C8H7NSe/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3"	"VYFYELQQECQPHU-UHFFFAOYSA-N"	"471.0"	"2"	"4"	"FALSE"	"FALSE"
"2334"	"77753-23-2"			"Public_CrossChecked"	"ClCC(Cl)=C(Cl)C(Cl)Cl"	"ClCC(Cl)=C(Cl)C(Cl)Cl"	"?"	"InChI=1S/C4H3Cl5/c5-1-2(6)3(7)4(8)9/h4H,1H2"	"XRNBDVCEBYZJLN-UHFFFAOYSA-N"	"472.0"	"2"	"4"	"FALSE"	"FALSE"
"2335"	"1187-59-3"	"DTXSID9041449"	"2-Propenamide, N-methyl-"	"EPA_DSSTox"	"CNC(=O)C=C"	"CNC(=O)C=C"	"?"	"InChI=1S/C4H7NO/c1-3-4(6)5-2/h3H,1H2,2H3,(H,5,6)"	"YPHQUSNPXDGUHL-UHFFFAOYSA-N"	"476.0"	"2"	"4"	"FALSE"	"FALSE"
"2336"	"2901-66-8"			"Public_CrossChecked"	"CO[C@H]1[C@H](O)C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC"	"COC1=CC2NC3C4CC5C(C(OC)C(O)CC5CN4CCC=3C=2C=C1)C(=O)OC"	"?"	"InChI=1S/C23H30N2O5/c1-28-13-4-5-14-15-6-7-25-11-12-8-19(26)22(29-2)20(23(27)30-3)16(12)10-18(25)21(15)24-17(14)9-13/h4-5,9,12,16,18-20,22,24,26H,6-8,10-11H2,1-3H3"	"MDJQWFFIUHUJSB-UHFFFAOYSA-N"	"479.0"	"2"	"4"	"FALSE"	"FALSE"
"2337"	"621-64-7"	"DTXSID6021032"	"N-Nitrosodipropylamine"	"EPA_DSSTox"	"CCCN(CCC)N=O"	"CCCN(CCC)N=O"	"?"	"InChI=1S/C6H14N2O/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3"	"YLKFDHTUAUWZPQ-UHFFFAOYSA-N"	"480.0"	"2"	"4"	"FALSE"	"FALSE"
"2338"	"98-16-8"	"DTXSID9024512"	"3-(Trifluoromethyl)aniline"	"EPA_DSSTox"	"NC1=CC(=CC=C1)C(F)(F)F"	"NC1=CC(=CC=C1)C(F)(F)F"	"?"	"InChI=1S/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H2"	"VIUDTWATMPPKEL-UHFFFAOYSA-N"	"480.0"	"2"	"4"	"FALSE"	"FALSE"
"2339"	"93-79-8"	"DTXSID7026073"	"Butyl (2,4,5-trichlorophenoxy)acetate"	"EPA_DSSTox"	"CCCCOC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=C1"	"CCCCOC(=O)COC1C=C(Cl)C(Cl)=CC=1Cl"	"?"	"InChI=1S/C12H13Cl3O3/c1-2-3-4-17-12(16)7-18-11-6-9(14)8(13)5-10(11)15/h5-6H,2-4,7H2,1H3"	"FNEXNZUHBCBQTI-UHFFFAOYSA-N"	"481.0"	"2"	"4"	"FALSE"	"FALSE"
"2340"	"104719-71-3"	"DTXSID50883148"	"Lorcinadol"	"EPA_DSSTox"	"ClC1=CC=C(N=N1)N1CCN(C\C=C\C2=CC=CC=C2)CC1"	"ClC1=CC=C(N=N1)N1CCN(CC=CC2C=CC=CC=2)CC1"	"?"	"InChI=1S/C17H19ClN4/c18-16-8-9-17(20-19-16)22-13-11-21(12-14-22)10-4-7-15-5-2-1-3-6-15/h1-9H,10-14H2"	"NCPBMOFVRBEVJY-UHFFFAOYSA-N"	"483.0"	"2"	"4"	"FALSE"	"FALSE"
"2341"	"17329-19-0"			"Public_CrossChecked"	"C(CCCN=Cc1ccco1)CCN=Cc1ccco1"	"C(CCCCCN=CC1=CC=CO1)N=CC1=CC=CO1"	"?"	"InChI=1S/C16H20N2O2/c1(3-9-17-13-15-7-5-11-19-15)2-4-10-18-14-16-8-6-12-20-16/h5-8,11-14H,1-4,9-10H2"	"LMXJMWBWWSFMLA-UHFFFAOYSA-N"	"490.0"	"2"	"4"	"FALSE"	"FALSE"
"2342"	"6385-58-6"	"DTXSID8021270"	"Sodium bithionolate"	"EPA_DSSTox"	"[Na+].[Na+].[O-]C1=C(SC2=C([O-])C(Cl)=CC(Cl)=C2)C=C(Cl)C=C1Cl"	"OC1C(=CC(Cl)=CC=1Cl)SC1=CC(Cl)=CC(Cl)=C1O"	"[Na+].[Na+]"	"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"	"492.0"	"2"	"4"	"FALSE"	"FALSE"
"2343"	"6577-41-9"	"DTXSID6046925"	"Oxapium iodide"	"EPA_DSSTox"	"[I-].C[N+]1(CC2COC(O2)(C2CCCCC2)C2=CC=CC=C2)CCCCC1"	"C[N+]1(CC2COC(O2)(C2CCCCC2)C2C=CC=CC=2)CCCCC1"	"[I-]"	"InChI=1S/C22H34NO2/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/h2,5-6,11-12,20-21H,3-4,7-10,13-18H2,1H3/q+1"	"AXWZZEWIGNYBGA-UHFFFAOYSA-N"	"494.0"	"2"	"4"	"FALSE"	"FALSE"
"2344"	"40643-37-6"			"Public_CrossChecked"	"CN=NNc1ccc(I)cc1"	"C/N=N/NC1=CC=C(I)C=C1"	"?"	"InChI=1S/C7H8IN3/c1-9-11-10-7-4-2-6(8)3-5-7/h2-5H,1H3,(H,9,10)"	"NUNUQSLVNRPSQB-UHFFFAOYSA-N"	"498.9"	"2"	"4"	"FALSE"	"FALSE"
"2345"	"109736-10-9"			"Public_CrossChecked"	"CCCCNCC(O)COc1ccc(cc1)-c1c(-c2ccccc2)c(=O)oc2cc(OC)ccc12"	"COc1cc2oc(=O)c(c(c2cc1)C1C=CC(=CC=1)OCC(O)CNCCCC)C1C=CC=CC=1"	"?"	"InChI=1S/C29H31NO5/c1-3-4-16-30-18-22(31)19-34-23-12-10-21(11-13-23)27-25-15-14-24(33-2)17-26(25)35-29(32)28(27)20-8-6-5-7-9-20/h5-15,17,22,30-31H,3-4,16,18-19H2,1-2H3"	"LUOIYABVQOJGON-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2346"	"123886-63-5"	"DTXSID10154129"	"2H-1-Benzopyran, 7-methoxy-2,2-dimethyl-3-phenyl-4-(4-(2-propenyloxy)phenyl)-"	"EPA_DSSTox"	"COC1=CC2=C(C=C1)C(C1=CC=C(OCC=C)C=C1)=C(C1=CC=CC=C1)C(C)(C)O2"	"COC1C=CC2=C(C=1)OC(C)(C)C(=C2C1C=CC(=CC=1)OCC=C)C1C=CC=CC=1"	"?"	"InChI=1S/C27H26O3/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/h5-16,18H,1,17H2,2-4H3"	"DMQBARJBKYJCSC-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2347"	"123886-71-5"	"DTXSID80154136"	"Ethanamine, 2-(4-(3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)-,hydrochloride, trans-"	"EPA_DSSTox"	"COC1=CC2=C(C=C1)[C@@H]([C@@H](C1=CC=CC=C1)C(C)(C)O2)C1=CC=C(OCCN)C=C1"	"COC1C=CC2C(C(C3C=CC=CC=3)C(C)(C)OC=2C=1)C1C=CC(=CC=1)OCCN"	"?"	"InChI=1S/C26H29NO3/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,15-16,27H2,1-3H3"	"YWEKRBXPCZYEBB-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2348"	"1315251-11-6"	"DTXSID70889288"	"5H-Cyclopenta[h]quinazoline, 6,7,8,9-tetrahydro-7,7,8,9,9-pentamethyl-"	"EPA_DSSTox"	"CC1C(C)(C)C2=C(C3=NC=NC=C3CC2)C1(C)C"	"CC1(C)C(C)C(C)(C)C2C3=NC=NC=C3CCC1=2"	"?"	"InChI=1S/C16H22N2/c1-10-15(2,3)12-7-6-11-8-17-9-18-14(11)13(12)16(10,4)5/h8-10H,6-7H2,1-5H3"	"YVFVTDLZSKSFCQ-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2349"	"135810-36-5"			"Public_CrossChecked"	"Clc1cccc(Cl)c1Cn1ccccc1=NC#N"	"N#CN=c1cccc[n]1CC1=C(Cl)C=CC=C1Cl"	"?"	"InChI=1S/C13H9Cl2N3/c14-11-4-3-5-12(15)10(11)8-18-7-2-1-6-13(18)17-9-16/h1-7H,8H2"	"HJSRHJLZFYUICE-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2350"	"145071-62-1"			"Public_CrossChecked"	"CON=CC1=CCCN(C1)OC(=O)Nc1ccc(Cl)cc1"	"CON=CC1CN(CCC=1)OC(=O)NC1=CC=C(Cl)C=C1"	"?"	"InChI=1S/C14H16ClN3O3/c1-20-16-9-11-3-2-8-18(10-11)21-14(19)17-13-6-4-12(15)5-7-13/h3-7,9H,2,8,10H2,1H3,(H,17,19)"	"XZQZAGAUOUPLDW-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2351"	"1633-83-6"	"DTXSID4061836"	"1,2-Oxathiane, 2,2-dioxide"	"EPA_DSSTox"	"O=S1(=O)CCCCO1"	"O=S1(=O)CCCCO1"	"?"	"InChI=1S/C4H8O3S/c5-8(6)4-2-1-3-7-8/h1-4H2"	"MHYFEEDKONKGEB-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2352"	"18361-12-1"	"DTXSID30171454"	"Phosphorothioic acid, O-(6-chlorothymyl) O,O-dimethyl ester"	"EPA_DSSTox"	"COP(=S)(OC)OC1=C(C=C(Cl)C(C)=C1)C(C)C"	"CC1=CC(OP(=S)(OC)OC)=C(C=C1Cl)C(C)C"	"?"	"InChI=1S/C12H18ClO3PS/c1-8(2)10-7-11(13)9(3)6-12(10)16-17(18,14-4)15-5/h6-8H,1-5H3"	"JGRYQQOHKWTHNX-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2353"	"18979-61-8"	"DTXSID50172403"	"4-Butylresorcinol"	"EPA_DSSTox"	"CCCCC1=C(O)C=C(O)C=C1"	"CCCCC1C=CC(O)=CC=1O"	"?"	"InChI=1S/C10H14O2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h5-7,11-12H,2-4H2,1H3"	"CSHZYWUPJWVTMQ-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2354"	"2078-54-8"	"DTXSID6023523"	"Propofol"	"EPA_DSSTox"	"CC(C)C1=CC=CC(C(C)C)=C1O"	"CC(C)C1=CC=CC(C(C)C)=C1O"	"?"	"InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3"	"OLBCVFGFOZPWHH-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2355"	"2545-59-7"	"DTXSID3041328"	"2,4,5-T-butotyl"	"EPA_DSSTox"	"CCCCOCCOC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=C1"	"CCCCOCCOC(=O)COC1C=C(Cl)C(Cl)=CC=1Cl"	"?"	"InChI=1S/C14H17Cl3O4/c1-2-3-4-19-5-6-20-14(18)9-21-13-8-11(16)10(15)7-12(13)17/h7-8H,2-6,9H2,1H3"	"GLDWASBMYWLQGG-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2356"	"2834-84-6"			"Public_CrossChecked"	"NC(N)=N[NH3+].OS([O-])(=O)=O"	"NC(N)N=N"	"OS(=O)(=O)[O-]"	"InChI=1S/CH6N4/c2-1(3)5-4/h1,4H,2-3H2"	"DRCHNMARIZRTKI-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2357"	"30560-37-3"			"Public_CrossChecked"	"CCOP(=O)(NC(C)=O)SC"	"CCOP(=O)(NC(C)=O)SC"	"?"	"InChI=1S/C5H12NO3PS/c1-4-9-10(8,11-3)6-5(2)7/h4H2,1-3H3,(H,6,7,8)"	"KXSBQOAMGUEKGP-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2358"	"327-78-6"	"DTXSID70369818"	"4-Chloro-3-(trifluoromethyl)phenyl isocyanate"	"EPA_DSSTox"	"FC(F)(F)C1=C(Cl)C=CC(=C1)N=C=O"	"O=C=NC1C=C(C(Cl)=CC=1)C(F)(F)F"	"?"	"InChI=1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H"	"NBJZEUQTGLSUOB-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2359"	"3568-23-8"			"Public_CrossChecked"	"OC(=O)C=CC(O)=O.CCC(=O)c1ccc2Sc3ccccc3N(CC(C)N(C)C)c2c1"	"CN(C)C(C)CN1C2C=C(C=CC=2SC2C=CC=CC1=2)C(=O)CC"	"C(=C/C(=O)O)/C(=O)O"	"InChI=1S/C20H24N2OS/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20/h6-12,14H,5,13H2,1-4H3"	"UVOIBTBFPOZKGP-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2360"	"3942-71-0"	"DTXSID00192595"	"Carbamic acid, methyl-, thymyl ester"	"EPA_DSSTox"	"CNC(=O)OC1=C(C=CC(C)=C1)C(C)C"	"CC1C=CC(C(C)C)=C(C=1)OC(=O)NC"	"?"	"InChI=1S/C12H17NO2/c1-8(2)10-6-5-9(3)7-11(10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)"	"OWKQRPRYKIPYIG-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2361"	"4418-26-2"	"DTXSID7026029"	"Sodium dehydroacetate"	"EPA_DSSTox"	"[Na+].C\C([O-])=C1/C(=O)OC(C)=CC1=O"	"CC1=CC(=O)C(C(=O)O1)=C(C)O"	"[Na+]"	"InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,9H,1-2H3"	"XFOHQPYIBGPKGL-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2362"	"52112-66-0"	"DTXSID40200123"	"Benzoxazole, 2-amino-6-bromo-"	"EPA_DSSTox"	"NC1=NC2=C(O1)C=C(Br)C=C2"	"NC1=NC2C=CC(Br)=CC=2O1"	"?"	"InChI=1S/C7H5BrN2O/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)"	"APUYIVHTTCCVMF-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2363"	"5579-85-1"	"DTXSID70204356"	"Bromchlorenone"	"EPA_DSSTox"	"ClC1=C(Br)C=C2OC(=O)NC2=C1"	"O=C1NC2C=C(Cl)C(Br)=CC=2O1"	"?"	"InChI=1S/C7H3BrClNO2/c8-3-1-6-5(2-4(3)9)10-7(11)12-6/h1-2H,(H,10,11)"	"KVAWWXSLBDVXHJ-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2364"	"5926-26-1"	"DTXSID10207987"	"Silane, chloromethyl-trimethoxy-"	"EPA_DSSTox"	"CO[Si](CCl)(OC)OC"	"CO[Si](CCl)(OC)OC"	"?"	"InChI=1S/C4H11ClO3Si/c1-6-9(4-5,7-2)8-3/h4H2,1-3H3"	"FPOSCXQHGOVVPD-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2365"	"6047-17-2"			"Public_CrossChecked"	"CCCCOCCCOC(=O)CCOc1cc(Cl)c(Cl)cc1Cl"	"CCCCOCCCOC(=O)CCOC1C=C(Cl)C(Cl)=CC=1Cl"	"?"	"InChI=1S/C16H21Cl3O4/c1-2-3-6-21-7-4-8-23-16(20)5-9-22-15-11-13(18)12(17)10-14(15)19/h10-11H,2-9H2,1H3"	"UFYGEGSDUCLKNR-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2366"	"63979-27-1"	"DTXSID70213827"	"1,2,3-Triazole-4-carboxamide, N,N-diethyl-5-methyl-1-phenyl-"	"EPA_DSSTox"	"CCN(CC)C(=O)C1=C(C)N(N=N1)C1=CC=CC=C1"	"CC1=C(N=NN1C1C=CC=CC=1)C(=O)N(CC)CC"	"?"	"InChI=1S/C14H18N4O/c1-4-17(5-2)14(19)13-11(3)18(16-15-13)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3"	"PBPCBTOCQIYTPL-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2367"	"64037-31-6"	"DTXSID10214050"	"2-Benzoxazolinone, 4,5,7-trichloro-"	"EPA_DSSTox"	"ClC1=CC(Cl)=C(Cl)C2=C1OC(=O)N2"	"O=C1NC2=C(O1)C(Cl)=CC(Cl)=C2Cl"	"?"	"InChI=1S/C7H2Cl3NO2/c8-2-1-3(9)6-5(4(2)10)11-7(12)13-6/h1H,(H,11,12)"	"DEUSSOTUEGORRC-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2368"	"6853-79-8"			"Public_CrossChecked"	"CCSC(SCC)c1ccccc1OC(=O)NC"	"CNC(=O)OC1C=CC=CC=1C(SCC)SCC"	"?"	"InChI=1S/C13H19NO2S2/c1-4-17-12(18-5-2)10-8-6-7-9-11(10)16-13(15)14-3/h6-9,12H,4-5H2,1-3H3,(H,14,15)"	"GAAGFBCYBSDRSY-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2369"	"76211-54-6"	"DTXSID40227072"	"Phosphorothioic acid, O,O-dimethyl ester, O-ester with 4,3-cresotonitrile"	"EPA_DSSTox"	"COP(=S)(OC)OC1=C(C)C=C(C=C1)C#N"	"CC1=CC(=CC=C1OP(=S)(OC)OC)C#N"	"?"	"InChI=1S/C10H12NO3PS/c1-8-6-9(7-11)4-5-10(8)14-15(16,12-2)13-3/h4-6H,1-3H3"	"VJEQJCFWMZOKRZ-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2370"	"80834-49-7"	"DTXSID00230648"	"2(1H)-Quinolinone, 3,4-dihydro-6-(1-oxo-4-(4-phenyl-1-piperazinyl)butyl)-, monohydrochloride"	"EPA_DSSTox"	"Cl.O=C(CCCN1CCN(CC1)C1=CC=CC=C1)C1=CC2=C(NC(=O)CC2)C=C1"	"O=C1CCC2=CC(=CC=C2N1)C(=O)CCCN1CCN(CC1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C23H27N3O2/c27-22(19-8-10-21-18(17-19)9-11-23(28)24-21)7-4-12-25-13-15-26(16-14-25)20-5-2-1-3-6-20/h1-3,5-6,8,10,17H,4,7,9,11-16H2,(H,24,28)"	"SOCYUVIDEAHLSD-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2371"	"80834-53-3"			"Public_CrossChecked"	"Cc1cccc(N2CCN(CCC(O)c3ccc4NC(=O)CCc4c3)CC2)c1C"	"CC1=C(C=CC=C1C)N1CCN(CCC(O)C2C=C3CCC(=O)NC3=CC=2)CC1"	"?"	"InChI=1S/C24H31N3O2/c1-17-4-3-5-22(18(17)2)27-14-12-26(13-15-27)11-10-23(28)20-6-8-21-19(16-20)7-9-24(29)25-21/h3-6,8,16,23,28H,7,9-15H2,1-2H3,(H,25,29)"	"XMZRQLSZNWAJLW-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2372"	"80834-57-7"			"Public_CrossChecked"	"Cc1cccc(c1)N1CCN(CC=Cc2ccc3NC(=O)CCc3c2)CC1"	"CC1C=C(C=CC=1)N1CCN(CC=CC2C=C3CCC(=O)NC3=CC=2)CC1"	"?"	"InChI=1S/C23H27N3O/c1-18-4-2-6-21(16-18)26-14-12-25(13-15-26)11-3-5-19-7-9-22-20(17-19)8-10-23(27)24-22/h2-7,9,16-17H,8,10-15H2,1H3,(H,24,27)"	"KZQKLDVPEILOPW-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2373"	"80834-61-3"	"DTXSID30230651"	"2(1H)-Quinolinone, 3,4-dihydro-6-(4-(4-(2-chlorophenyl)-1-piperazinyl)butyl)-"	"EPA_DSSTox"	"ClC1=CC=CC=C1N1CCN(CCCCC2=CC3=C(NC(=O)CC3)C=C2)CC1"	"O=C1CCC2=CC(CCCCN3CCN(CC3)C3=CC=CC=C3Cl)=CC=C2N1"	"?"	"InChI=1S/C23H28ClN3O/c24-20-6-1-2-7-22(20)27-15-13-26(14-16-27)12-4-3-5-18-8-10-21-19(17-18)9-11-23(28)25-21/h1-2,6-8,10,17H,3-5,9,11-16H2,(H,25,28)"	"PQWIGXJLLNZIPJ-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2374"	"80834-65-7"	"DTXSID70230655"	"2(1H)-Quinolinone, 3,4-dihydro-6-(3-(4-phenyl-1-piperazinyl)propyl)-"	"EPA_DSSTox"	"O=C1CCC2=C(N1)C=CC(CCCN1CCN(CC1)C1=CC=CC=C1)=C2"	"O=C1CCC2C=C(CCCN3CCN(CC3)C3C=CC=CC=3)C=CC=2N1"	"?"	"InChI=1S/C22H27N3O/c26-22-11-9-19-17-18(8-10-21(19)23-22)5-4-12-24-13-15-25(16-14-24)20-6-2-1-3-7-20/h1-3,6-8,10,17H,4-5,9,11-16H2,(H,23,26)"	"FJQXKTZSIVUNRD-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2375"	"80834-71-5"	"DTXSID30230656"	"2(1H)-Quinolinone, 3,4-dihydro-6-(1-oxo-3-(4-(phenylmethyl)-1-piperidinyl)propyl)-"	"EPA_DSSTox"	"O=C(CCN1CCC(CC2=CC=CC=C2)CC1)C1=CC2=C(NC(=O)CC2)C=C1"	"O=C(CCN1CCC(CC2C=CC=CC=2)CC1)C1C=C2CCC(=O)NC2=CC=1"	"?"	"InChI=1S/C24H28N2O2/c27-23(21-6-8-22-20(17-21)7-9-24(28)25-22)12-15-26-13-10-19(11-14-26)16-18-4-2-1-3-5-18/h1-6,8,17,19H,7,9-16H2,(H,25,28)"	"UIBOYRKYRKEUFU-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2376"	"80834-76-0"			"Public_CrossChecked"	"O=C(CCCN1CCC(=CC1)c1ccccc1)c1ccc2NC(=O)CCc2c1"	"O=C(CCCN1CC=C(CC1)C1C=CC=CC=1)C1C=C2CCC(=O)NC2=CC=1"	"?"	"InChI=1S/C24H26N2O2/c27-23(21-8-10-22-20(17-21)9-11-24(28)25-22)7-4-14-26-15-12-19(13-16-26)18-5-2-1-3-6-18/h1-3,5-6,8,10,12,17H,4,7,9,11,13-16H2,(H,25,28)"	"RKXYUCZLLREYFR-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2377"	"80834-81-7"			"Public_CrossChecked"	"CCC(C(O)c1ccc2[nH]c(=O)ccc2c1)N1CCN(CC1)c1cccc(Cl)c1"	"CCC(C(O)c1cc2ccc(=O)[nH]c2cc1)N1CCN(CC1)C1=CC(Cl)=CC=C1"	"?"	"InChI=1S/C23H26ClN3O2/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/h3-9,14-15,21,23,29H,2,10-13H2,1H3,(H,25,28)"	"ICWSMYGKPDHCFJ-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2378"	"85-27-8"			"Public_CrossChecked"	"CC(c1ccccc1)c1ccc(O)cc1O"	"CC(C1C=CC(O)=CC=1O)C1C=CC=CC=1"	"?"	"InChI=1S/C14H14O2/c1-10(11-5-3-2-4-6-11)13-8-7-12(15)9-14(13)16/h2-10,15-16H,1H3"	"PQSXNIMHIHYFEE-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2379"	"91574-89-9"			"Public_CrossChecked"	"Cl.COc1ccc2CCN(C)C(CCc3ccccc3)Cc3ccc(OC)c(O)c3-c2c1"	"CN1CCC2C=CC(=CC=2C2=C(O)C(=CC=C2CC1CCC1C=CC=CC=1)OC)OC"	"Cl"	"InChI=1S/C27H31NO3/c1-28-16-15-20-10-13-23(30-2)18-24(20)26-21(11-14-25(31-3)27(26)29)17-22(28)12-9-19-7-5-4-6-8-19/h4-8,10-11,13-14,18,22,29H,9,12,15-17H2,1-3H3"	"IORHSKBXWWSQME-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"2380"	"134880-75-4"	"DTXSID80159020"	"Benzamide, 3,5-bis(trifluoromethyl)-, N-(5-chloro-4-(trifluoromethyl)-2-thiazolyl)-N-methyl-"	"EPA_DSSTox"	"CN(C(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=NC(=C(Cl)S1)C(F)(F)F"	"CN(C(=O)C1C=C(C=C(C=1)C(F)(F)F)C(F)(F)F)C1=NC(=C(Cl)S1)C(F)(F)F"	"?"	"InChI=1S/C14H6ClF9N2OS/c1-26(11-25-8(9(15)28-11)14(22,23)24)10(27)5-2-6(12(16,17)18)4-7(3-5)13(19,20)21/h2-4H,1H3"	"QXRSIENXVRAUPR-UHFFFAOYSA-N"	"501.0"	"3"	"4"	"FALSE"	"FALSE"
"2381"	"72-69-5"	"DTXSID9023384"	"Nortriptyline"	"EPA_DSSTox"	"CNCCC=C1C2=C(CCC3=C1C=CC=C3)C=CC=C2"	"CNCC/C=C1\C2=CC=CC=C2CCC2C=CC=CC=2\1"	"?"	"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/h2-5,7-11,20H,6,12-14H2,1H3"	"PHVGLTMQBUFIQQ-UHFFFAOYSA-N"	"502.0"	"3"	"4"	"FALSE"	"FALSE"
"2382"	"110-46-3"	"DTXSID9025455"	"3-Methylbutyl nitrite"	"EPA_DSSTox"	"CC(C)CCON=O"	"CC(C)CCON=O"	"?"	"InChI=1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3"	"OWFXIOWLTKNBAP-UHFFFAOYSA-N"	"505.0"	"3"	"4"	"FALSE"	"FALSE"
"2383"	"28998-67-6"	"DTXSID40183189"	"Pyrazole, 3-butyl-"	"EPA_DSSTox"	"CCCCC1=CC=NN1"	"CCCCC1=CC=NN1"	"?"	"InChI=1S/C7H12N2/c1-2-3-4-7-5-6-8-9-7/h5-6H,2-4H2,1H3,(H,8,9)"	"GFJCGXFXOXSUJX-UHFFFAOYSA-N"	"509.0"	"3"	"4"	"FALSE"	"FALSE"
"2384"	"596-11-2"			"Public_CrossChecked"	"[Cl-].CO[C@@H]1C[C@]23[NH+](CC=C2C=C1)CCC1=C3CC(=O)OC1"	"COC1CC23C(=CCN2CCC2COC(=O)CC3=2)C=C1"	"[Cl-]"	"InChI=1S/C16H19NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2-3,5,13H,4,6-10H2,1H3"	"PXWINCSLFXUWBZ-UHFFFAOYSA-N"	"510.0"	"3"	"4"	"FALSE"	"FALSE"
"2385"	"59-33-6"	"DTXSID4021216"	"Pyrilamine maleate"	"EPA_DSSTox"	"OC(=O)\C=C/C(O)=O.COC1=CC=C(CN(CCN(C)C)C2=NC=CC=C2)C=C1"	"CN(C)CCN(CC1C=CC(=CC=1)OC)C1=CC=CC=N1"	"OC(=O)/C=C\C(O)=O"	"InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3"	"YECBIJXISLIIDS-UHFFFAOYSA-N"	"513.0"	"3"	"4"	"FALSE"	"FALSE"
"2386"	"84226-24-4"	"DTXSID50233149"	"1(2H)-Pyridinepropanenitrile, 3,6-dihydro-4-(3-(trifluoromethyl)phenyl)-, hydrochloride"	"EPA_DSSTox"	"Cl.FC(F)(F)C1=CC=CC(=C1)C1=CCN(CCC#N)CC1"	"N#CCCN1CC=C(CC1)C1=CC(=CC=C1)C(F)(F)F"	"Cl"	"InChI=1S/C15H15F3N2/c16-15(17,18)14-4-1-3-13(11-14)12-5-9-20(10-6-12)8-2-7-19/h1,3-5,11H,2,6,8-10H2"	"XVBCZSYHUGVSIB-UHFFFAOYSA-N"	"515.0"	"3"	"4"	"FALSE"	"FALSE"
"2387"	"1765-48-6"	"DTXSID5061954"	"Undecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-eicosafluoro-"	"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)C(F)F"	"OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F"	"?"	"InChI=1S/C11H2F20O2/c12-1(13)3(14,15)5(18,19)7(22,23)9(26,27)11(30,31)10(28,29)8(24,25)6(20,21)4(16,17)2(32)33/h1H,(H,32,33)"	"MMYNPHSPRPZSSN-UHFFFAOYSA-N"	"518.0"	"3"	"4"	"FALSE"	"FALSE"
"2388"	"1203-24-3"	"DTXSID40152794"	"1-(2-Chlorophenyl)-1H-pyrrole-2,5-dione"	"EPA_DSSTox"	"ClC1=CC=CC=C1N1C(=O)C=CC1=O"	"O=C1C=CC(=O)N1C1C=CC=CC=1Cl"	"?"	"InChI=1S/C10H6ClNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6H"	"KPQOXMCRYWDRSB-UHFFFAOYSA-N"	"520.0"	"3"	"4"	"FALSE"	"FALSE"
"2389"	"29025-67-0"	"DTXSID1041215"	"1-(4-Chlorophenyl)silatrane"	"EPA_DSSTox"	"ClC1=CC=C(C=C1)[Si]12OCCN(CCO1)CCO2"	"ClC1=CC=C(C=C1)[Si]12OCCN(CCO1)CCO2"	"?"	"InChI=1S/C12H16ClNO3Si/c13-11-1-3-12(4-2-11)18-15-8-5-14(6-9-16-18)7-10-17-18/h1-4H,5-10H2"	"IKFVTMCLFHXPQF-UHFFFAOYSA-N"	"520.0"	"3"	"4"	"FALSE"	"FALSE"
"2390"	"70081-94-6"			"Public_CrossChecked"	"CC(=NNCCC1CCCCC1)C(O)=O"	"CC(N=NCCC1CCCCC1)C(O)=O"	"?"	"InChI=1S/C11H20N2O2/c1-9(11(14)15)13-12-8-7-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,14,15)"	"MWHWZYQINNKTTE-UHFFFAOYSA-N"	"520.0"	"3"	"4"	"FALSE"	"FALSE"
"2391"	"3414-47-9"			"Public_CrossChecked"	"FC(F)(F)c1cccc(OCC2CNC(=S)O2)c1"	"FC(F)(F)C1C=C(C=CC=1)OCC1CNC(=S)O1"	"?"	"InChI=1S/C11H10F3NO2S/c12-11(13,14)7-2-1-3-8(4-7)16-6-9-5-15-10(18)17-9/h1-4,9H,5-6H2,(H,15,18)"	"AIFMZFWIIGAWMP-UHFFFAOYSA-N"	"524.0"	"3"	"4"	"FALSE"	"FALSE"
"2392"	"33237-74-0"	"DTXSID5046726"	"Aprindine hydrochloride"	"EPA_DSSTox"	"Cl.CCN(CC)CCCN(C1CC2=CC=CC=C2C1)C1=CC=CC=C1"	"CCN(CCCN(C1CC2=CC=CC=C2C1)C1C=CC=CC=1)CC"	"Cl"	"InChI=1S/C22H30N2/c1-3-23(4-2)15-10-16-24(21-13-6-5-7-14-21)22-17-19-11-8-9-12-20(19)18-22/h5-9,11-14,22H,3-4,10,15-18H2,1-2H3"	"NZLBHDRPUJLHCE-UHFFFAOYSA-N"	"525.0"	"3"	"4"	"FALSE"	"FALSE"
"2393"	"536-90-3"	"DTXSID8024529"	"3-Methoxyaniline"	"EPA_DSSTox"	"COC1=CC=CC(N)=C1"	"COC1C=C(N)C=CC=1"	"?"	"InChI=1S/C7H9NO/c1-9-7-4-2-3-6(8)5-7/h2-5H,8H2,1H3"	"NCBZRJODKRCREW-UHFFFAOYSA-N"	"526.0"	"3"	"4"	"FALSE"	"FALSE"
"2394"	"1687-61-2"	"DTXSID20168595"	"m-Cresol, 6-ethyl-"	"EPA_DSSTox"	"CCC1=C(O)C=C(C)C=C1"	"CC1C=CC(CC)=C(O)C=1"	"?"	"InChI=1S/C9H12O/c1-3-8-5-4-7(2)6-9(8)10/h4-6,10H,3H2,1-2H3"	"LTRVUFFOMIUCPJ-UHFFFAOYSA-N"	"530.0"	"3"	"4"	"FALSE"	"FALSE"
"2395"	"64058-87-3"			"Public_CrossChecked"	"CCCN=C(N)C(OCC)c1ccccc1"	"CCC/N=C(\N)/C(OCC)C1C=CC=CC=1"	"?"	"InChI=1S/C13H20N2O/c1-3-10-15-13(14)12(16-4-2)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H2,14,15)"	"HABIPVRVOBTUPR-UHFFFAOYSA-N"	"530.0"	"3"	"4"	"FALSE"	"FALSE"
"2396"	"7554-65-6"	"DTXSID3040649"	"4-Methylpyrazole"	"EPA_DSSTox"	"CC1=CNN=C1"	"CC1=CNN=C1"	"?"	"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)"	"RIKMMFOAQPJVMX-UHFFFAOYSA-N"	"534.0"	"3"	"4"	"FALSE"	"FALSE"
"2397"	"438-41-5"	"DTXSID40880060"	"Chlordiazepoxide hydrochloride"	"EPA_DSSTox"	"Cl.CNC1=NC2=CC=C(Cl)C=C2C(C2=CC=CC=C2)=N(=O)C1"	"CNC1CN(=O)=C(C2=CC(Cl)=CC=C2N=1)C1C=CC=CC=1"	"Cl"	"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"	"537.0"	"3"	"4"	"FALSE"	"FALSE"
"2398"	"6921-27-3"	"DTXSID10219242"	"2-Propynyl ether"	"EPA_DSSTox"	"C#CCOCC#C"	"C#CCOCC#C"	"?"	"InChI=1S/C6H6O/c1-3-5-7-6-4-2/h1-2H,5-6H2"	"HRDCVMSNCBAMAM-UHFFFAOYSA-N"	"539.0"	"3"	"4"	"FALSE"	"FALSE"
"2399"	"156-43-4"	"DTXSID0025864"	"4-Ethoxyaniline"	"EPA_DSSTox"	"CCOC1=CC=C(N)C=C1"	"CCOC1C=CC(N)=CC=1"	"?"	"InChI=1S/C8H11NO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2,9H2,1H3"	"IMPPGHMHELILKG-UHFFFAOYSA-N"	"540.0"	"3"	"4"	"FALSE"	"FALSE"
"2400"	"33213-28-4"			"Public_CrossChecked"	"OC(=O)C(O)=O.CC(C)NCC(O)COC(C)c1ccccc1"	"CC(C)NCC(O)COC(C)C1C=CC=CC=1"	"C(=O)(C(=O)O)O"	"InChI=1S/C14H23NO2/c1-11(2)15-9-14(16)10-17-12(3)13-7-5-4-6-8-13/h4-8,11-12,14-16H,9-10H2,1-3H3"	"MBNNABIVZGFXAG-UHFFFAOYSA-N"	"540.0"	"3"	"4"	"FALSE"	"FALSE"
"2401"	"985-12-6"	"DTXSID40243590"	"Drotaverine hydrochloride"	"EPA_DSSTox"	"Cl.CCOC1=C(OCC)C=C(\C=C2/NCCC3=CC(OCC)=C(OCC)C=C23)C=C1"	"CCOC1C=C2C(=CC3C=C(OCC)C(=CC=3)OCC)NCCC2=CC=1OCC"	"Cl"	"InChI=1S/C24H31NO4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20/h9-10,13-16,25H,5-8,11-12H2,1-4H3"	"OMFNSKIUKYOYRG-UHFFFAOYSA-N"	"540.0"	"3"	"4"	"FALSE"	"FALSE"
"2402"	"17730-82-4"			"Public_CrossChecked"	"CCCC(=O)N1CCN(CC=Cc2ccccc2)CC1"	"CCCC(=O)N1CCN(CC=CC2C=CC=CC=2)CC1"	"?"	"InChI=1S/C17H24N2O/c1-2-7-17(20)19-14-12-18(13-15-19)11-6-10-16-8-4-3-5-9-16/h3-6,8-10H,2,7,11-15H2,1H3"	"ZQBMUHABRSEAIK-UHFFFAOYSA-N"	"545.0"	"3"	"4"	"FALSE"	"FALSE"
"2403"	"1178-99-0"	"DTXSID30151913"	"U-10520A"	"EPA_DSSTox"	"Cl.CCN(CC)CCOC1=CC=C(C=C1)C1=C(CCC2=C1C=CC(OC)=C2)C1=CC=CC=C1"	"COC1=CC2CCC(=C(C=2C=C1)C1C=CC(=CC=1)OCCN(CC)CC)C1C=CC=CC=1"	"Cl"	"InChI=1S/C29H33NO2/c1-4-30(5-2)19-20-32-25-14-11-23(12-15-25)29-27(22-9-7-6-8-10-22)17-13-24-21-26(31-3)16-18-28(24)29/h6-12,14-16,18,21H,4-5,13,17,19-20H2,1-3H3"	"LMNAQEJWMWBYLC-UHFFFAOYSA-N"	"547.0"	"3"	"4"	"FALSE"	"FALSE"
"2404"	"1001354-72-8"	"DTXSID80889259"	"4-Octanol, 3-amino-"	"EPA_DSSTox"	"CCCCC(O)C(N)CC"	"CCC(N)C(O)CCCC"	"?"	"InChI=1S/C8H19NO/c1-3-5-6-8(10)7(9)4-2/h7-8,10H,3-6,9H2,1-2H3"	"AHZILZSKKSPIKM-UHFFFAOYSA-N"	"550.0"	"3"	"4"	"FALSE"	"FALSE"
"2405"	"22916-47-8"	"DTXSID6023319"	"Miconazole"	"EPA_DSSTox"	"ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1"	"ClC1C=C(Cl)C(=CC=1)C(CN1C=NC=C1)OCC1=CC=C(Cl)C=C1Cl"	"?"	"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"	"550.0"	"3"	"4"	"FALSE"	"FALSE"
"2406"	"314-03-4"	"DTXSID0048476"	"Pimethixene"	"EPA_DSSTox"	"CN1CCC(CC1)=C1C2=CC=CC=C2SC2=CC=CC=C12"	"CN1CCC(CC1)=C1C2C=CC=CC=2SC2C=CC=CC=21"	"?"	"InChI=1S/C19H19NS/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19/h2-9H,10-13H2,1H3"	"NZLVRVYNQYGMAB-UHFFFAOYSA-N"	"550.0"	"3"	"4"	"FALSE"	"FALSE"
"2407"	"39718-89-3"			"Public_CrossChecked"	"CC(C(O)=O)c1ccc(NCC(C)=C)cc1"	"CC(=C)CNC1C=CC(=CC=1)C(C)C(O)=O"	"?"	"InChI=1S/C13H17NO2/c1-9(2)8-14-12-6-4-11(5-7-12)10(3)13(15)16/h4-7,10,14H,1,8H2,2-3H3,(H,15,16)"	"FPHLBGOJWPEVME-UHFFFAOYSA-N"	"550.0"	"3"	"4"	"FALSE"	"FALSE"
"2408"	"617-38-9"	"DTXSID70210699"	"Carbamic acid, dimethyldithio-, ethyl ester"	"EPA_DSSTox"	"CCSC(=S)N(C)C"	"CCSC(=S)N(C)C"	"?"	"InChI=1S/C5H11NS2/c1-4-8-5(7)6(2)3/h4H2,1-3H3"	"VPNCITAAFMVUKG-UHFFFAOYSA-N"	"550.0"	"3"	"4"	"FALSE"	"FALSE"
"2409"	"57262-94-9"	"DTXSID50205886"	"Setiptiline"	"EPA_DSSTox"	"CN1CCC2=C(C1)C1=CC=CC=C1CC1=CC=CC=C21"	"CN1CC2C3C=CC=CC=3CC3C=CC=CC=3C=2CC1"	"?"	"InChI=1S/C19H19N/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20/h2-9H,10-13H2,1H3"	"GVPIXRLYKVFFMK-UHFFFAOYSA-N"	"554.0"	"3"	"4"	"FALSE"	"FALSE"
"2410"	"138-53-4"			"Public_CrossChecked"	"OC[C@H]1O[C@@H](O[C@@H](C#N)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O"	"N#CC(OC1OC(CO)C(O)C(O)C1O)C1C=CC=CC=1"	"?"	"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2"	"ZKSZEJFBGODIJW-UHFFFAOYSA-N"	"560.0"	"3"	"4"	"FALSE"	"FALSE"
"2411"	"58774-82-6"			"Public_CrossChecked"	"CCOc1ccccc1OCC(O)CNCCNCC(O)COc1ccccc1OCC"	"CCOC1C=CC=CC=1OCC(O)CNCCNCC(O)COC1C=CC=CC=1OCC"	"?"	"InChI=1S/C24H36N2O6/c1-3-29-21-9-5-7-11-23(21)31-17-19(27)15-25-13-14-26-16-20(28)18-32-24-12-8-6-10-22(24)30-4-2/h5-12,19-20,25-28H,3-4,13-18H2,1-2H3"	"LQRWQSNUPPEVHA-UHFFFAOYSA-N"	"560.0"	"3"	"4"	"FALSE"	"FALSE"
"2412"	"152-18-1"	"DTXSID30164927"	"O,O,O-Trimethyl phosphorothioate"	"EPA_DSSTox"	"COP(=S)(OC)OC"	"COP(=S)(OC)OC"	"?"	"InChI=1S/C3H9O3PS/c1-4-7(8,5-2)6-3/h1-3H3"	"XWSLYQXUTWUIKM-UHFFFAOYSA-N"	"562.0"	"3"	"4"	"FALSE"	"FALSE"
"2413"	"57165-49-8"	"DTXSID60205812"	"Pyrrolidine, 1-(3-(1,3-benzodioxol-5-yl)-1-(2-(1,3-benzodioxol-5-yl)ethyl)propyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (salt)"	"EPA_DSSTox"	"OC(=O)CC(O)(CC(O)=O)C(O)=O.C(CC1=CC2=C(OCO2)C=C1)C(CCC1=CC2=C(OCO2)C=C1)N1CCCC1"	"C1OC2C=CC(CCC(CCC3=CC4OCOC=4C=C3)N3CCCC3)=CC=2O1"	"OC(CC(O)=O)(CC(O)=O)C(O)=O"	"InChI=1S/C23H27NO4/c1-2-12-24(11-1)19(7-3-17-5-9-20-22(13-17)27-15-25-20)8-4-18-6-10-21-23(14-18)28-16-26-21/h5-6,9-10,13-14,19H,1-4,7-8,11-12,15-16H2"	"CLRFMGFMVPVKHR-UHFFFAOYSA-N"	"565.0"	"3"	"4"	"FALSE"	"FALSE"
"2414"	"13047-13-7"	"DTXSID9044794"	"4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one"	"EPA_DSSTox"	"CC1(CO)CN(NC1=O)C1=CC=CC=C1"	"CC1(CO)CN(NC1=O)C1C=CC=CC=1"	"?"	"InChI=1S/C11H14N2O2/c1-11(8-14)7-13(12-10(11)15)9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3,(H,12,15)"	"DSVIHYOAKPVFEH-UHFFFAOYSA-N"	"566.0"	"3"	"4"	"FALSE"	"FALSE"
"2415"	"141-98-0"	"DTXSID7027093"	"Carbamothioic acid, ethyl-, O-(1-methylethyl) ester"	"EPA_DSSTox"	"CCNC(=S)OC(C)C"	"CCNC(=S)OC(C)C"	"?"	"InChI=1S/C6H13NOS/c1-4-7-6(9)8-5(2)3/h5H,4H2,1-3H3,(H,7,9)"	"KIACEOHPIRTHMI-UHFFFAOYSA-N"	"568.0"	"3"	"4"	"FALSE"	"FALSE"
"2416"	"2177-22-2"	"DTXSID10176169"	"Oxetane, 3-(chloromethyl)-3-ethyl-"	"EPA_DSSTox"	"CCC1(CCl)COC1"	"CCC1(CCl)COC1"	"?"	"InChI=1S/C6H11ClO/c1-2-6(3-7)4-8-5-6/h2-5H2,1H3"	"UKLWXKWTXHHMFK-UHFFFAOYSA-N"	"570.0"	"3"	"4"	"FALSE"	"FALSE"
"2417"	"3680-02-2"	"DTXSID1031628"	"Methyl vinyl sulfone"	"EPA_DSSTox"	"CS(=O)(=O)C=C"	"CS(=O)(=O)C=C"	"?"	"InChI=1S/C3H6O2S/c1-3-6(2,4)5/h3H,1H2,2H3"	"WUIJTQZXUURFQU-UHFFFAOYSA-N"	"570.0"	"3"	"4"	"FALSE"	"FALSE"
"2418"	"3439-67-6"	"DTXSID60187962"	"Su 14542"	"EPA_DSSTox"	"Cl.COC1=C(OCCCCN2CCN(CC2)C2=CC=CC=C2)C=CC(=C1)C(C)=O"	"CC(=O)C1=CC(OC)=C(C=C1)OCCCCN1CCN(CC1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C23H30N2O3/c1-19(26)20-10-11-22(23(18-20)27-2)28-17-7-6-12-24-13-15-25(16-14-24)21-8-4-3-5-9-21/h3-5,8-11,18H,6-7,12-17H2,1-2H3"	"INLZKCSBCSPVDZ-UHFFFAOYSA-N"	"573.0"	"3"	"4"	"FALSE"	"FALSE"
"2419"	"22199-72-0"			"Public_CrossChecked"	"OC(=O)C=CC(O)=O.CC1OCC(CN(C)C)O1"	"CC1OC(CO1)CN(C)C"	"C(=C/C(=O)O)/C(=O)O"	"InChI=1S/C7H15NO2/c1-6-9-5-7(10-6)4-8(2)3/h6-7H,4-5H2,1-3H3"	"KHUCQBZVGWVHNJ-UHFFFAOYSA-N"	"575.0"	"3"	"4"	"FALSE"	"FALSE"
"2420"	"7765-88-0"			"Public_CrossChecked"	"Cl.CNc1nsc2ccccc12"	"CNC1=NSC2C=CC=CC=21"	"Cl"	"InChI=1S/C8H8N2S/c1-9-8-6-4-2-3-5-7(6)11-10-8/h2-5H,1H3,(H,9,10)"	"PBOWATRTPOODND-UHFFFAOYSA-N"	"576.0"	"3"	"4"	"FALSE"	"FALSE"
"2421"	"274-09-9"	"DTXSID9051951"	"1,3-Benzodioxolane"	"EPA_DSSTox"	"C1OC2=CC=CC=C2O1"	"C1OC2=CC=CC=C2O1"	"?"	"InChI=1S/C7H6O2/c1-2-4-7-6(3-1)8-5-9-7/h1-4H,5H2"	"FTNJQNQLEGKTGD-UHFFFAOYSA-N"	"580.0"	"3"	"4"	"FALSE"	"FALSE"
"2422"	"81994-68-5"	"DTXSID20231495"	"Phthalimide, 4-butylamino-N-(2-(diethylamino)ethyl)-, hydrochloride"	"EPA_DSSTox"	"Cl.CCCCNC1=CC2=C(C=C1)C(=O)N(CCN(CC)CC)C2=O"	"CCCCNC1C=C2C(=CC=1)C(=O)N(CCN(CC)CC)C2=O"	"Cl"	"InChI=1S/C18H27N3O2/c1-4-7-10-19-14-8-9-15-16(13-14)18(23)21(17(15)22)12-11-20(5-2)6-3/h8-9,13,19H,4-7,10-12H2,1-3H3"	"SSESQBSCMXUBEG-UHFFFAOYSA-N"	"580.0"	"3"	"4"	"FALSE"	"FALSE"
"2423"	"3734-33-6"	"DTXSID8034376"	"Denatonium benzoate"	"EPA_DSSTox"	"[O-]C(=O)C1=CC=CC=C1.CC[N+](CC)(CC(=O)NC1=C(C)C=CC=C1C)CC1=CC=CC=C1"	"CC1C=CC=C(C)C=1NC(=O)C[N+](CC1C=CC=CC=1)(CC)CC"	"C1=CC=CC(C([O-])=O)=C1"	"InChI=1S/C21H28N2O/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4/h7-14H,5-6,15-16H2,1-4H3/p+1"	"ZFQMTVNLDNXRNQ-UHFFFAOYSA-O"	"584.0"	"3"	"4"	"FALSE"	"FALSE"
"2424"	"13707-88-5"			"Public_CrossChecked"	"Cl.CC(C)NCC(O)COc1ccccc1CC=C"	"CC(C)NCC(O)COC1C=CC=CC=1CC=C"	"Cl"	"InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3"	"PAZJSJFMUHDSTF-UHFFFAOYSA-N"	"590.0"	"3"	"4"	"FALSE"	"FALSE"
"2425"	"59-87-0"	"DTXSID5020944"	"Nitrofurazone"	"EPA_DSSTox"	"NC(=O)N\N=C\C1=CC=C(O1)[N+]([O-])=O"	"NC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O"	"?"	"InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)"	"IAIWVQXQOWNYOU-UHFFFAOYSA-N"	"590.0"	"3"	"4"	"FALSE"	"FALSE"
"2426"	"75157-06-1"			"Public_CrossChecked"	"Cc1ccc(cc1)S(O)(=O)=O.CC(C)N(CCC(C#N)(c1ccccc1)c1ccccn1)C(C)C"	"CC(C)N(CCC(C#N)(C1C=CC=CN=1)C1C=CC=CC=1)C(C)C"	"CC1C=CC(S(=O)(=O)O)=CC=1"	"InChI=1S/C21H27N3/c1-17(2)24(18(3)4)15-13-21(16-22,19-10-6-5-7-11-19)20-12-8-9-14-23-20/h5-12,14,17-18H,13,15H2,1-4H3"	"SSDIPWVFVFRNKB-UHFFFAOYSA-N"	"596.0"	"3"	"4"	"FALSE"	"FALSE"
"2427"	"108670-13-9"			"Public_CrossChecked"	"OC(=O)C=CC(O)=O.CCC(=O)c1ccc2Sc3ccccc3N(CCCN3CCN(C)CC3)c2c1"	"CN1CCN(CCCN2C3C=C(C=CC=3SC3C=CC=CC2=3)C(=O)CC)CC1"	"C(=C/C(=O)O)\C(=O)O"	"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"	"600.0"	"3"	"4"	"FALSE"	"FALSE"
"2428"	"144-02-5"	"DTXSID3020128"	"Sodium barbital"	"EPA_DSSTox"	"[Na+].CCC1(CC)C(=O)NC([O-])=NC1=O"	"CCC1(CC)C(=O)NC(O)=NC1=O"	"[Na+]"	"InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)"	"FTOAOBMCPZCFFF-UHFFFAOYSA-N"	"600.0"	"3"	"4"	"FALSE"	"FALSE"
"2429"	"17243-39-9"	"DTXSID4022654"	"Benzoctamine"	"EPA_DSSTox"	"CNCC12CCC(C3=CC=CC=C13)C1=C2C=CC=C1"	"CNCC12CCC(C3=CC=CC=C13)C1C=CC=CC2=1"	"?"	"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"	"600.0"	"3"	"4"	"FALSE"	"FALSE"
"2430"	"25476-46-4"			"Public_CrossChecked"	"CCS(=O)CCOP(=S)(OC)OC"	"CCS(=O)CCOP(=S)(OC)OC"	"?"	"InChI=1S/C6H15O4PS2/c1-4-13(7)6-5-10-11(12,8-2)9-3/h4-6H2,1-3H3"	"QJDBYMAORKAERU-UHFFFAOYSA-N"	"600.0"	"3"	"4"	"FALSE"	"FALSE"
"2431"	"33499-05-7"			"Public_CrossChecked"	"COS([O-])(=O)=O.CC1CCCC2=[N+](C)C=C(C(N)=O)C(=O)N12"	"C[n+]1cc(C(N)=O)c(=O)[n]2C(C)CCCc12"	"COS(=O)(=O)[O-]"	"InChI=1S/C11H15N3O2/c1-7-4-3-5-9-13(2)6-8(10(12)15)11(16)14(7)9/h6-7H,3-5H2,1-2H3,(H-,12,15)/p+1"	"UANRKMZNAIFBGD-UHFFFAOYSA-O"	"600.0"	"3"	"4"	"FALSE"	"FALSE"
"2432"	"37032-15-8"	"DTXSID9042419"	"Sophamide"	"EPA_DSSTox"	"COCNC(=O)CSP(=S)(OC)OC"	"COCNC(=O)CSP(=S)(OC)OC"	"?"	"InChI=1S/C6H14NO4PS2/c1-9-5-7-6(8)4-14-12(13,10-2)11-3/h4-5H2,1-3H3,(H,7,8)"	"FCUBTKFQDYNIIC-UHFFFAOYSA-N"	"600.0"	"3"	"4"	"FALSE"	"FALSE"
"2433"	"54941-75-2"	"DTXSID40203457"	"Benzophenone, 4'-chloro-2-(2-imidazol-2-yl)-"	"EPA_DSSTox"	"ClC1=CC=C(C=C1)C(=O)C1=CC=CC=C1C1=NC=CN1"	"O=C(C1C=CC=CC=1C1NC=CN=1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C16H11ClN2O/c17-12-7-5-11(6-8-12)15(20)13-3-1-2-4-14(13)16-18-9-10-19-16/h1-10H,(H,18,19)"	"ISAXAIVJYQBLOX-UHFFFAOYSA-N"	"600.0"	"3"	"4"	"FALSE"	"FALSE"
"2434"	"63938-48-7"			"Public_CrossChecked"	"ClC(Cl)(Cl)COC(=O)c1ccco1"	"O=C(OCC(Cl)(Cl)Cl)C1=CC=CO1"	"?"	"InChI=1S/C7H5Cl3O3/c8-7(9,10)4-13-6(11)5-2-1-3-12-5/h1-3H,4H2"	"WWHZWLUAKBBFNX-UHFFFAOYSA-N"	"600.0"	"3"	"4"	"FALSE"	"FALSE"
"2435"	"690-94-8"	"DTXSID30219042"	"5-Hexen-3-yn-2-ol, 2-methyl-"	"EPA_DSSTox"	"CC(C)(O)C#CC=C"	"CC(C)(O)C#CC=C"	"?"	"InChI=1S/C7H10O/c1-4-5-6-7(2,3)8/h4,8H,1H2,2-3H3"	"OYWGYGPXPDGOGH-UHFFFAOYSA-N"	"600.0"	"3"	"4"	"FALSE"	"FALSE"
"2436"	"75614-09-4"			"Public_CrossChecked"	"COc1ccc(CC2CNC(=O)N2)cc1OC1CCCC1"	"COC1C=CC(CC2CNC(=O)N2)=CC=1OC1CCCC1"	"?"	"InChI=1S/C16H22N2O3/c1-20-14-7-6-11(8-12-10-17-16(19)18-12)9-15(14)21-13-4-2-3-5-13/h6-7,9,12-13H,2-5,8,10H2,1H3,(H2,17,18,19)"	"YOFWLAASFMHLAD-UHFFFAOYSA-N"	"600.0"	"3"	"4"	"FALSE"	"FALSE"
"2437"	"78-71-7"	"DTXSID9058816"	"3,3-Bis(chloromethyl)oxetane"	"EPA_DSSTox"	"ClCC1(CCl)COC1"	"ClCC1(COC1)CCl"	"?"	"InChI=1S/C5H8Cl2O/c6-1-5(2-7)3-8-4-5/h1-4H2"	"CXURGFRDGROIKG-UHFFFAOYSA-N"	"600.0"	"3"	"4"	"FALSE"	"FALSE"
"2438"	"67-20-9"	"DTXSID7020972"	"Nitrofurantoin"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC=C(O1)C=NN1CC(=O)NC1=O"	"[O-][N+](=O)C1=CC=C(C=NN2CC(=O)NC2=O)O1"	"?"	"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"	"604.0"	"3"	"4"	"FALSE"	"FALSE"
"2439"	"108-68-9"	"DTXSID1025148"	"3,5-Dimethylphenol"	"EPA_DSSTox"	"CC1=CC(O)=CC(C)=C1"	"CC1=CC(O)=CC(C)=C1"	"?"	"InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3"	"TUAMRELNJMMDMT-UHFFFAOYSA-N"	"608.0"	"3"	"4"	"FALSE"	"FALSE"
"2440"	"98-46-4"	"DTXSID9025794"	"1-Nitro-3-(trifluoromethyl)benzene"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC(=CC=C1)C(F)(F)F"	"[O-][N+](=O)C1=CC(=CC=C1)C(F)(F)F"	"?"	"InChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-3-6(4-5)11(12)13/h1-4H"	"WHNAMGUAXHGCHH-UHFFFAOYSA-N"	"610.0"	"3"	"4"	"FALSE"	"FALSE"
"2441"	"73681-13-7"	"DTXSID20223951"	"Acetamide, N-tert-butyl-N-(1-cyano-2-(3-pyridyl)amidino)-, hydrate"	"EPA_DSSTox"	"O.CC(=O)N(\C(NC#N)=N\C1=CN=CC=C1)C(C)(C)C"	"CC(=O)N(/C(/NC#N)=N/C1=CN=CC=C1)C(C)(C)C"	"O"	"InChI=1S/C13H17N5O/c1-10(19)18(13(2,3)4)12(16-9-14)17-11-6-5-7-15-8-11/h5-8H,1-4H3,(H,16,17)"	"UYURSIDNENQIOT-UHFFFAOYSA-N"	"615.0"	"3"	"4"	"FALSE"	"FALSE"
"2442"	"3614-69-5"			"Public_CrossChecked"	"OC(=O)C=CC(O)=O.CC(C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1"	"CC(C1C2=CC=CC=C2CC=1CCN(C)C)C1C=CC=CN=1"	"C(=C/C(=O)O)/C(=O)O"	"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"	"618.0"	"3"	"4"	"FALSE"	"FALSE"
"2443"	"10232-90-3"			"Public_CrossChecked"	"CC1COC(O1)C(Cl)CCl"	"CC1COC(O1)C(Cl)CCl"	"?"	"InChI=1S/C6H10Cl2O2/c1-4-3-9-6(10-4)5(8)2-7/h4-6H,2-3H2,1H3"	"BNSRVFGXRITOQK-UHFFFAOYSA-N"	"620.0"	"3"	"4"	"FALSE"	"FALSE"
"2444"	"2100-17-6"	"DTXSID1062178"	"4-Pentenal"	"EPA_DSSTox"	"C=CCCC=O"	"C=CCCC=O"	"?"	"InChI=1S/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2"	"QUMSUJWRUHPEEJ-UHFFFAOYSA-N"	"620.0"	"3"	"4"	"FALSE"	"FALSE"
"2445"	"36643-74-0"			"Public_CrossChecked"	"OC1CCc2ccccc12"	"OC1CCC2C=CC=CC=21"	"?"	"InChI=1S/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2"	"YIAPLDFPUUJILH-UHFFFAOYSA-N"	"620.0"	"3"	"4"	"FALSE"	"FALSE"
"2446"	"761-65-9"	"DTXSID3022114"	"N,N-Dibutylformamide"	"EPA_DSSTox"	"CCCCN(CCCC)C=O"	"CCCCN(CCCC)C=O"	"?"	"InChI=1S/C9H19NO/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H3"	"NZMAJUHVSZBJHL-UHFFFAOYSA-N"	"620.0"	"3"	"4"	"FALSE"	"FALSE"
"2447"	"78816-47-4"	"DTXSID80229318"	"Carbamic acid, (10,11-dihydro-5-(3-(4-morpholinyl)-1-oxopropyl)-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride"	"EPA_DSSTox"	"Cl.CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CCN2CCOCC2)C=C1"	"CCOC(=O)NC1=CC=C2CCC3=CC=CC=C3N(C2=C1)C(=O)CCN1CCOCC1"	"Cl"	"InChI=1S/C24H29N3O4/c1-2-31-24(29)25-20-10-9-19-8-7-18-5-3-4-6-21(18)27(22(19)17-20)23(28)11-12-26-13-15-30-16-14-26/h3-6,9-10,17H,2,7-8,11-16H2,1H3,(H,25,29)"	"ZVWHBOUJAFWVEB-UHFFFAOYSA-N"	"623.0"	"3"	"4"	"FALSE"	"FALSE"
"2448"	"33235-85-7"			"Public_CrossChecked"	"CCOC(C1=NCCCN1)c1c(Cl)cccc1Cl"	"CCOC(C1C(Cl)=CC=CC=1Cl)C1NCCCN=1"	"?"	"InChI=1S/C13H16Cl2N2O/c1-2-18-12(13-16-7-4-8-17-13)11-9(14)5-3-6-10(11)15/h3,5-6,12H,2,4,7-8H2,1H3,(H,16,17)"	"YNBCYQOZRYKLMD-UHFFFAOYSA-N"	"625.0"	"3"	"4"	"FALSE"	"FALSE"
"2449"	"126-02-3"			"Public_CrossChecked"	"Cl.OC(CCN1CCCCC1)(C1CCCC1)c1ccccc1"	"OC(CCN1CCCCC1)(C1CCCC1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C19H29NO/c21-19(18-11-5-6-12-18,17-9-3-1-4-10-17)13-16-20-14-7-2-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2"	"SWRUZBWLEWHWRI-UHFFFAOYSA-N"	"628.0"	"3"	"4"	"FALSE"	"FALSE"
"2450"	"36335-67-8"	"DTXSID5058068"	"Butamiphos"	"EPA_DSSTox"	"CCOP(=S)(NC(C)CC)OC1=C(C=CC(C)=C1)[N+]([O-])=O"	"CC1C=C(OP(=S)(NC(C)CC)OCC)C(=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C13H21N2O4PS/c1-5-11(4)14-20(21,18-6-2)19-13-9-10(3)7-8-12(13)15(16)17/h7-9,11H,5-6H2,1-4H3,(H,14,21)"	"OEYOMNZEMCPTKN-UHFFFAOYSA-N"	"630.0"	"3"	"4"	"FALSE"	"FALSE"
"2451"	"5748-26-5"			"Public_CrossChecked"	"CC(C)C(=O)N(C)C(=O)Oc1cccc(c1)C(C)C"	"CC(C)C(=O)N(C)C(=O)OC1=CC(=CC=C1)C(C)C"	"?"	"InChI=1S/C15H21NO3/c1-10(2)12-7-6-8-13(9-12)19-15(18)16(5)14(17)11(3)4/h6-11H,1-5H3"	"PNBLZGHZVYLIMX-UHFFFAOYSA-N"	"631.0"	"3"	"4"	"FALSE"	"FALSE"
"2452"	"37924-13-3"	"DTXSID3042267"	"Perfluidone"	"EPA_DSSTox"	"CC1=CC(=CC=C1NS(=O)(=O)C(F)(F)F)S(=O)(=O)C1=CC=CC=C1"	"CC1C=C(C=CC=1NS(=O)(=O)C(F)(F)F)S(=O)(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C14H12F3NO4S2/c1-10-9-12(23(19,20)11-5-3-2-4-6-11)7-8-13(10)18-24(21,22)14(15,16)17/h2-9,18H,1H3"	"WHTBVLXUSXVMEV-UHFFFAOYSA-N"	"633.0"	"3"	"4"	"FALSE"	"FALSE"
"2453"	"15687-27-1"	"DTXSID5020732"	"Ibuprofen"	"EPA_DSSTox"	"CC(C)CC1=CC=C(C=C1)C(C)C(O)=O"	"CC(C)CC1=CC=C(C=C1)C(C)C(O)=O"	"?"	"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)"	"HEFNNWSXXWATRW-UHFFFAOYSA-N"	"636.0"	"3"	"4"	"FALSE"	"FALSE"
"2454"	"5001-99-0"	"DTXSID90198187"	"4-Biphenylacetic acid, 2'-fluoro-"	"EPA_DSSTox"	"OC(=O)CC1=CC=C(C=C1)C1=CC=CC=C1F"	"OC(=O)CC1C=CC(=CC=1)C1C=CC=CC=1F"	"?"	"InChI=1S/C14H11FO2/c15-13-4-2-1-3-12(13)11-7-5-10(6-8-11)9-14(16)17/h1-8H,9H2,(H,16,17)"	"HSOKOZJRZALFLQ-UHFFFAOYSA-N"	"638.0"	"3"	"4"	"FALSE"	"FALSE"
"2455"	"32665-36-4"			"Public_CrossChecked"	"COC(CN1CCN(CCC(O)c2ccccc2)CC1)c1ccccc1"	"COC(CN1CCN(CCC(O)C2C=CC=CC=2)CC1)C1C=CC=CC=1"	"?"	"InChI=1S/C22H30N2O2/c1-26-22(20-10-6-3-7-11-20)18-24-16-14-23(15-17-24)13-12-21(25)19-8-4-2-5-9-19/h2-11,21-22,25H,12-18H2,1H3"	"QSRHLIUOSXVKTG-UHFFFAOYSA-N"	"640.0"	"3"	"4"	"FALSE"	"FALSE"
"2456"	"5581-45-3"	"DTXSID50204394"	"Metoclopramide dihydrochloride monohydrate"	"EPA_DSSTox"	"O.Cl.Cl.CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC"	"COC1C=C(N)C(Cl)=CC=1C(=O)NCCN(CC)CC"	"Cl.Cl.O"	"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"	"647.0"	"3"	"4"	"FALSE"	"FALSE"
"2457"	"1053-74-3"	"DTXSID40147064"	"Ketone, methyl 10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazin-2-yl"	"EPA_DSSTox"	"CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(C)=O)CC1"	"CN1CCN(CCCN2C3C=C(C=CC=3SC3C=CC=CC2=3)C(C)=O)CC1"	"?"	"InChI=1S/C22H27N3OS/c1-17(26)18-8-9-22-20(16-18)25(19-6-3-4-7-21(19)27-22)11-5-10-24-14-12-23(2)13-15-24/h3-4,6-9,16H,5,10-15H2,1-2H3"	"WKCTYFQBCFYMAR-UHFFFAOYSA-N"	"650.0"	"3"	"4"	"FALSE"	"FALSE"
"2458"	"1190-16-5"	"DTXSID5051600"	"4-(Dichloromethylsilyl)butyronitrile"	"EPA_DSSTox"	"C[Si](Cl)(Cl)CCCC#N"	"C[Si](Cl)(Cl)CCCC#N"	"?"	"InChI=1S/C5H9Cl2NSi/c1-9(6,7)5-3-2-4-8/h2-3,5H2,1H3"	"UIFBMBZYGZSWQE-UHFFFAOYSA-N"	"650.0"	"3"	"4"	"FALSE"	"FALSE"
"2459"	"17959-12-5"	"DTXSID80170836"	"Carbamic acid, methyl ((methylthio)acetyl)-, o-isopropoxyphenyl ester"	"EPA_DSSTox"	"CSCC(=O)N(C)C(=O)OC1=CC=CC=C1OC(C)C"	"CN(C(=O)CSC)C(=O)OC1C=CC=CC=1OC(C)C"	"?"	"InChI=1S/C14H19NO4S/c1-10(2)18-11-7-5-6-8-12(11)19-14(17)15(3)13(16)9-20-4/h5-8,10H,9H2,1-4H3"	"LALUBJKCIPVVIA-UHFFFAOYSA-N"	"650.0"	"3"	"4"	"FALSE"	"FALSE"
"2460"	"54063-25-1"			"Public_CrossChecked"	"CCC(C)NCC(O)c1ccc(N)cc1"	"CC(CC)NCC(O)C1C=CC(N)=CC=1"	"?"	"InChI=1S/C12H20N2O/c1-3-9(2)14-8-12(15)10-4-6-11(13)7-5-10/h4-7,9,12,14-15H,3,8,13H2,1-2H3"	"UWYLQWLJGMLJQF-UHFFFAOYSA-N"	"650.0"	"3"	"4"	"FALSE"	"FALSE"
"2461"	"58955-85-4"			"Public_CrossChecked"	"CC1OCN=C(S1)c1ccccc1"	"CC1OCN=C(S1)C1C=CC=CC=1"	"?"	"InChI=1S/C10H11NOS/c1-8-12-7-11-10(13-8)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3"	"MXBIMNXDAMOVRF-UHFFFAOYSA-N"	"655.0"	"3"	"4"	"FALSE"	"FALSE"
"2462"	"13286-32-3"	"DTXSID0074502"	"Phosphorothioic acid, O,O-diethyl S-(phenylmethyl) ester"	"EPA_DSSTox"	"CCOP(=O)(OCC)SCC1=CC=CC=C1"	"CCOP(=O)(OCC)SCC1C=CC=CC=1"	"?"	"InChI=1S/C11H17O3PS/c1-3-13-15(12,14-4-2)16-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3"	"XFMJUIKWKVJNDY-UHFFFAOYSA-N"	"660.0"	"3"	"4"	"FALSE"	"FALSE"
"2463"	"2570-26-5"	"DTXSID8062529"	"Pentadecylamine"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCN"	"CCCCCCCCCCCCCCCN"	"?"	"InChI=1S/C15H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-16H2,1H3"	"JPZYXGPCHFZBHO-UHFFFAOYSA-N"	"660.0"	"3"	"4"	"FALSE"	"FALSE"
"2464"	"6334-11-8"	"DTXSID6021400"	"2,4,6-Trimethylaniline hydrochloride"	"EPA_DSSTox"	"Cl.CC1=CC(C)=C(N)C(C)=C1"	"CC1C=C(C)C=C(C)C=1N"	"Cl"	"InChI=1S/C9H13N/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,10H2,1-3H3"	"KWVPRPSXBZNOHS-UHFFFAOYSA-N"	"660.0"	"3"	"4"	"FALSE"	"FALSE"
"2465"	"87798-87-6"	"DTXSID00236640"	"Theophylline, 7-(5-(4-(m-trifluoromethylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride"	"EPA_DSSTox"	"Cl.Cl.CN1C2=C(N(CCCCCN3CCN(CC3)C3=CC=CC(=C3)C(F)(F)F)C=N2)C(=O)N(C)C1=O"	"CN1C(=O)C2=C(N=CN2CCCCCN2CCN(CC2)C2=CC(=CC=C2)C(F)(F)F)N(C)C1=O"	"Cl.Cl"	"InChI=1S/C23H29F3N6O2/c1-28-20-19(21(33)29(2)22(28)34)32(16-27-20)10-5-3-4-9-30-11-13-31(14-12-30)18-8-6-7-17(15-18)23(24,25)26/h6-8,15-16H,3-5,9-14H2,1-2H3"	"QAIFLILFSPCOEE-UHFFFAOYSA-N"	"660.0"	"3"	"4"	"FALSE"	"FALSE"
"2466"	"89845-17-0"			"Public_CrossChecked"	"Cl.CCOC(=O)Nc1cccc2C(CN(C)Cc12)c1ccc(Cl)cc1"	"CCOC(=O)NC1C=CC=C2C(CN(C)CC=12)C1C=CC(Cl)=CC=1"	"Cl"	"InChI=1S/C19H21ClN2O2/c1-3-24-19(23)21-18-6-4-5-15-16(11-22(2)12-17(15)18)13-7-9-14(20)10-8-13/h4-10,16H,3,11-12H2,1-2H3,(H,21,23)"	"FPTRJSPPLNSVIB-UHFFFAOYSA-N"	"665.0"	"3"	"4"	"FALSE"	"FALSE"
"2467"	"1069-66-5"	"DTXSID5037072"	"Sodium valproate"	"EPA_DSSTox"	"[Na+].CCCC(CCC)C([O-])=O"	"CCCC(CCC)C(O)=O"	"[Na+]"	"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)"	"NIJJYAXOARWZEE-UHFFFAOYSA-N"	"670.0"	"3"	"4"	"FALSE"	"FALSE"
"2468"	"3337-87-9"	"DTXSID00186994"	"Quinazoline, 4-((2-(dimethylamino)ethyl)amino)-"	"EPA_DSSTox"	"CN(C)CCNC1=NC=NC2=CC=CC=C12"	"CN(C)CCNC1=NC=NC2C=CC=CC=21"	"?"	"InChI=1S/C12H16N4/c1-16(2)8-7-13-12-10-5-3-4-6-11(10)14-9-15-12/h3-6,9H,7-8H2,1-2H3,(H,13,14,15)"	"YTGHVUIQNDNPCX-UHFFFAOYSA-N"	"670.0"	"3"	"4"	"FALSE"	"FALSE"
"2469"	"99-66-1"	"DTXSID6023733"	"Valproic acid"	"EPA_DSSTox"	"CCCC(CCC)C(O)=O"	"CCCC(CCC)C(O)=O"	"?"	"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)"	"NIJJYAXOARWZEE-UHFFFAOYSA-N"	"670.0"	"3"	"4"	"FALSE"	"FALSE"
"2470"	"107-71-1"	"DTXSID9029142"	"tert-Butyl peroxyacetate"	"EPA_DSSTox"	"CC(=O)OOC(C)(C)C"	"CC(=O)OOC(C)(C)C"	"?"	"InChI=1S/C6H12O3/c1-5(7)8-9-6(2,3)4/h1-4H3"	"SWAXTRYEYUTSAP-UHFFFAOYSA-N"	"675.0"	"3"	"4"	"FALSE"	"FALSE"
"2471"	"62610-77-9"	"DTXSID0058144"	"Methacrifos"	"EPA_DSSTox"	"COC(=O)C(\C)=C\OP(=S)(OC)OC"	"CC(=COP(=S)(OC)OC)C(=O)OC"	"?"	"InChI=1S/C7H13O5PS/c1-6(7(8)9-2)5-12-13(14,10-3)11-4/h5H,1-4H3"	"NTAHCMPOMKHKEU-UHFFFAOYSA-N"	"678.0"	"3"	"4"	"FALSE"	"FALSE"
"2472"	"4856-95-5"	"DTXSID0052124"	"Borane - morpholine complex"	"EPA_DSSTox"	"B.C1COCCN1"	"C1COCCN1"	"B"	"InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2"	"YNAVUWVOSKDBBP-UHFFFAOYSA-N"	"680.0"	"3"	"4"	"FALSE"	"FALSE"
"2473"	"6315-89-5"	"DTXSID8064226"	"3,4-Dimethoxyaniline"	"EPA_DSSTox"	"COC1=C(OC)C=C(N)C=C1"	"COC1C=CC(N)=CC=1OC"	"?"	"InChI=1S/C8H11NO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,9H2,1-2H3"	"LGDHZCLREKIGKJ-UHFFFAOYSA-N"	"681.0"	"3"	"4"	"FALSE"	"FALSE"
"2474"	"75219-45-3"			"Public_CrossChecked"	"CC12CCC3C(CCc4cc(O)ccc34)C1CC[C@@H]2OC(=O)COC(=O)CCCc1ccc(cc1)N(CCCl)CCCl"	"CC12CCC3C(CCC4C=C(O)C=CC=43)C1CCC2OC(=O)COC(=O)CCCC1C=CC(=CC=1)N(CCCl)CCCl"	"?"	"InChI=1S/C34H43Cl2NO5/c1-34-16-15-28-27-12-10-26(38)21-24(27)7-11-29(28)30(34)13-14-31(34)42-33(40)22-41-32(39)4-2-3-23-5-8-25(9-6-23)37(19-17-35)20-18-36/h5-6,8-10,12,21,28-31,38H,2-4,7,11,13-20,22H2,1H3"	"BLZFYQBYJHKGPF-UHFFFAOYSA-N"	"682.0"	"3"	"4"	"FALSE"	"FALSE"
"2475"	"4482-85-3"			"Public_CrossChecked"	"CC(Cl)COP(=O)(OCC(C)Cl)Oc1ccc2c(C)c(Cl)c(=O)oc2c1"	"Cc1c(Cl)c(=O)oc2cc(ccc12)OP(=O)(OCC(C)Cl)OCC(C)Cl"	"?"	"InChI=1S/C16H18Cl3O6P/c1-9(17)7-22-26(21,23-8-10(2)18)25-12-4-5-13-11(3)15(19)16(20)24-14(13)6-12/h4-6,9-10H,7-8H2,1-3H3"	"YPYDHHNOVXXEOE-UHFFFAOYSA-N"	"686.0"	"3"	"4"	"FALSE"	"FALSE"
"2476"	"1244-76-4"	"DTXSID5047530"	"Hydroxyzine hydrochloride"	"EPA_DSSTox"	"Cl.OCCOCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1"	"OCCOCCN1CCN(CC1)C(C1C=CC=CC=1)C1C=CC(Cl)=CC=1"	"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"	"690.0"	"3"	"4"	"FALSE"	"FALSE"
"2477"	"59010-86-5"	"DTXSID2041888"	"Diphenprofos"	"EPA_DSSTox"	"CCCSP(=O)(OCC)OC1=CC=C(SC2=CC=C(Cl)C=C2)C=C1"	"CCCSP(=O)(OC1C=CC(=CC=1)SC1C=CC(Cl)=CC=1)OCC"	"?"	"InChI=1S/C17H20ClO3PS2/c1-3-13-23-22(19,20-4-2)21-15-7-11-17(12-8-15)24-16-9-5-14(18)6-10-16/h5-12H,3-4,13H2,1-2H3"	"IQEADSTVCRSHDL-UHFFFAOYSA-N"	"690.0"	"3"	"4"	"FALSE"	"FALSE"
"2478"	"17581-48-5"			"Public_CrossChecked"	"CCCSP(C)(=S)SC(CC(=O)OCC)C(=O)OCC"	"CCOC(=O)CC(SP(C)(=S)SCCC)C(=O)OCC"	"?"	"InChI=1S/C12H23O4PS3/c1-5-8-19-17(4,18)20-10(12(14)16-7-3)9-11(13)15-6-2/h10H,5-9H2,1-4H3"	"HEVMDYMGSQFFHE-UHFFFAOYSA-N"	"693.0"	"3"	"4"	"FALSE"	"FALSE"
"2479"	"124-40-3"	"DTXSID5024057"	"Dimethylamine"	"EPA_DSSTox"	"CNC"	"CNC"	"?"	"InChI=1S/C2H7N/c1-3-2/h3H,1-2H3"	"ROSDSFDQCJNGOL-UHFFFAOYSA-N"	"698.0"	"3"	"4"	"FALSE"	"FALSE"
"2480"	"10433-59-7"	"DTXSID5041356"	"2,4-DB-sodium"	"EPA_DSSTox"	"[Na+].[O-]C(=O)CCCOC1=CC=C(Cl)C=C1Cl"	"OC(=O)CCCOC1=CC=C(Cl)C=C1Cl"	"[Na+]"	"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"	"700.0"	"3"	"4"	"FALSE"	"FALSE"
"2481"	"1948-33-0"	"DTXSID6020220"	"tert-Butylhydroquinone"	"EPA_DSSTox"	"CC(C)(C)C1=CC(O)=CC=C1O"	"CC(C)(C)C1=CC(O)=CC=C1O"	"?"	"InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3"	"BGNXCDMCOKJUMV-UHFFFAOYSA-N"	"700.0"	"3"	"4"	"FALSE"	"FALSE"
"2482"	"34183-22-7"			"Public_CrossChecked"	"Cl.CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1"	"CCCNCC(O)COC1C=CC=CC=1C(=O)CCC1C=CC=CC=1"	"Cl"	"InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3"	"JWHAUXFOSRPERK-UHFFFAOYSA-N"	"700.0"	"3"	"4"	"FALSE"	"FALSE"
"2483"	"41510-23-0"			"Public_CrossChecked"	"Fc1ccc(cc1)C(=O)CCCN1CCN2Cc3[nH]c4ccccc4c3CC2C1"	"O=C(CCCN1CC2CC3C4C=CC=CC=4NC=3CN2CC1)C1C=CC(F)=CC=1"	"?"	"InChI=1S/C24H26FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,26H,3,6,11-16H2"	"YCNCIZWAGQTWBI-UHFFFAOYSA-N"	"700.0"	"3"	"4"	"FALSE"	"FALSE"
"2484"	"51352-87-5"			"Public_CrossChecked"	"Cl.COC(=O)c1cccc(CCN(C)Cc2ccccc2)c1"	"COC(=O)C1C=C(CCN(C)CC2C=CC=CC=2)C=CC=1"	"Cl"	"InChI=1S/C18H21NO2/c1-19(14-16-7-4-3-5-8-16)12-11-15-9-6-10-17(13-15)18(20)21-2/h3-10,13H,11-12,14H2,1-2H3"	"IGJQEMHBYKNIQR-UHFFFAOYSA-N"	"700.0"	"3"	"4"	"FALSE"	"FALSE"
"2485"	"59-49-4"	"DTXSID9049324"	"2-Benzoxazolinone"	"EPA_DSSTox"	"O=C1NC2=C(O1)C=CC=C2"	"O=C1NC2=CC=CC=C2O1"	"?"	"InChI=1S/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)"	"ASSKVPFEZFQQNQ-UHFFFAOYSA-N"	"700.0"	"3"	"4"	"FALSE"	"FALSE"
"2486"	"61278-98-6"			"Public_CrossChecked"	"Cl.CCNC1CCCCC1"	"CCNC1CCCCC1"	"Cl"	"InChI=1S/C8H17N/c1-2-9-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3"	"AGVKXDPPPSLISR-UHFFFAOYSA-N"	"700.0"	"3"	"4"	"FALSE"	"FALSE"
"2487"	"93-71-0"	"DTXSID2041591"	"Allidochlor"	"EPA_DSSTox"	"ClCC(=O)N(CC=C)CC=C"	"C=CCN(CC=C)C(=O)CCl"	"?"	"InChI=1S/C8H12ClNO/c1-3-5-10(6-4-2)8(11)7-9/h3-4H,1-2,5-7H2"	"MDBGGTQNNUOQRC-UHFFFAOYSA-N"	"700.0"	"3"	"4"	"FALSE"	"FALSE"
"2488"	"80-50-2"	"DTXSID8022612"	"Anisotropine methylbromide"	"EPA_DSSTox"	"[Br-].CCCC(CCC)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C"	"C[N+]1(C)C2CC(CC1CC2)OC(=O)C(CCC)CCC"	"[Br-]"	"InChI=1S/C17H32NO2/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4/h13-16H,5-12H2,1-4H3/q+1"	"XGGHHHBGPSNXFE-UHFFFAOYSA-N"	"705.0"	"3"	"4"	"FALSE"	"FALSE"
"2489"	"5418-63-3"	"DTXSID30883489"	"3H-Indolium, 1,2,3,3-tetramethyl-, iodide (1:1)"	"EPA_DSSTox"	"[I-].CC1=[N+](C)C2=C(C=CC=C2)C1(C)C"	"CC1=[N+](C)C2C=CC=CC=2C1(C)C"	"[I-]"	"InChI=1S/C12H16N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h5-8H,1-4H3/q+1"	"AKQUHUJZRFFZOO-UHFFFAOYSA-N"	"707.0"	"3"	"4"	"FALSE"	"FALSE"
"2490"	"23593-75-1"	"DTXSID7029871"	"Clotrimazole"	"EPA_DSSTox"	"ClC1=C(C=CC=C1)C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1"	"ClC1C=CC=CC=1C(C1C=CC=CC=1)(C1C=CC=CC=1)N1C=NC=C1"	"?"	"InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H"	"VNFPBHJOKIVQEB-UHFFFAOYSA-N"	"708.0"	"3"	"4"	"FALSE"	"FALSE"
"2491"	"10140-97-3"	"DTXSID10143912"	"Styrene, alpha-chloro-p-nitro-"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC=C(C=C1)C(Cl)=C"	"C=C(Cl)C1C=CC(=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C8H6ClNO2/c1-6(9)7-2-4-8(5-3-7)10(11)12/h2-5H,1H2"	"XTDAYGDHDWTKHX-UHFFFAOYSA-N"	"710.0"	"3"	"4"	"FALSE"	"FALSE"
"2492"	"1690-33-1"			"Public_CrossChecked"	"CCC(OC(N)=O)c1ccccc1Cl"	"CCC(OC(N)=O)C1C=CC=CC=1Cl"	"?"	"InChI=1S/C10H12ClNO2/c1-2-9(14-10(12)13)7-5-3-4-6-8(7)11/h3-6,9H,2H2,1H3,(H2,12,13)"	"VCZXDPUECVELRF-UHFFFAOYSA-N"	"710.0"	"3"	"4"	"FALSE"	"FALSE"
"2493"	"5432-61-1"			"Public_CrossChecked"	"CCCCC(CC)CNC1CCCCC1"	"CCCCC(CNC1CCCCC1)CC"	"?"	"InChI=1S/C14H29N/c1-3-5-9-13(4-2)12-15-14-10-7-6-8-11-14/h13-15H,3-12H2,1-2H3"	"AYMDRBYANXGFGR-UHFFFAOYSA-N"	"710.0"	"3"	"4"	"FALSE"	"FALSE"
"2494"	"3200-06-4"	"DTXSID6045533"	"Nafronyl oxalate"	"EPA_DSSTox"	"OC(=O)C(O)=O.CCN(CC)CCOC(=O)C(CC1CCCO1)CC1=C2C=CC=CC2=CC=C1"	"CCN(CCOC(=O)C(CC1=CC=CC2C=CC=CC1=2)CC1CCCO1)CC"	"C(C(=O)O)(=O)O"	"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"	"711.0"	"3"	"4"	"FALSE"	"FALSE"
"2495"	"68694-11-1"	"DTXSID2032500"	"Triflumizole"	"EPA_DSSTox"	"CCCOC\C(=N/C1=C(C=C(Cl)C=C1)C(F)(F)F)N1C=CN=C1"	"CCCOCC(=NC1C=CC(Cl)=CC=1C(F)(F)F)N1C=NC=C1"	"?"	"InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3"	"HSMVPDGQOIQYSR-UHFFFAOYSA-N"	"715.0"	"3"	"4"	"FALSE"	"FALSE"
"2496"	"25939-05-3"	"DTXSID9042174"	"N-(2,4,6-Trichlorophenyl)benzenecarbohydrazonoyl chloride"	"EPA_DSSTox"	"Cl\C(=N\NC1=C(Cl)C=C(Cl)C=C1Cl)C1=CC=CC=C1"	"ClC1C=C(Cl)C=C(Cl)C=1NN=C(Cl)C1C=CC=CC=1"	"?"	"InChI=1S/C13H8Cl4N2/c14-9-6-10(15)12(11(16)7-9)18-19-13(17)8-4-2-1-3-5-8/h1-7,18H"	"QVMATSPQIBFRPZ-UHFFFAOYSA-N"	"718.0"	"3"	"4"	"FALSE"	"FALSE"
"2497"	"3570-61-4"	"DTXSID8042395"	"Sodium 2-(2,4,5-trichlorophenoxy)ethyl sulfate"	"EPA_DSSTox"	"[Na+].[O-]S(=O)(=O)OCCOC1=C(Cl)C=C(Cl)C(Cl)=C1"	"OS(=O)(=O)OCCOC1C=C(Cl)C(Cl)=CC=1Cl"	"[Na+]"	"InChI=1S/C8H7Cl3O5S/c9-5-3-7(11)8(4-6(5)10)15-1-2-16-17(12,13)14/h3-4H,1-2H2,(H,12,13,14)"	"YWNCRLWPJZLWGH-UHFFFAOYSA-N"	"720.0"	"3"	"4"	"FALSE"	"FALSE"
"2498"	"7681-80-3"			"Public_CrossChecked"	"COS([O-])(=O)=O.CCC(C)C(C(=O)OC1CC[N+](C)(C)CC1)c1ccccc1"	"CC(CC)C(C1=CC=CC=C1)C(=O)OC1CC[N+](C)(C)CC1"	"COS(=O)(=O)[O-]"	"InChI=1S/C19H30NO2/c1-5-15(2)18(16-9-7-6-8-10-16)19(21)22-17-11-13-20(3,4)14-12-17/h6-10,15,17-18H,5,11-14H2,1-4H3/q+1"	"WSWDKMFWJOALEW-UHFFFAOYSA-N"	"720.0"	"3"	"4"	"FALSE"	"FALSE"
"2499"	"51337-71-4"	"DTXSID3041792"	"Clofop-isobutyl"	"EPA_DSSTox"	"CC(C)COC(=O)C(C)OC1=CC=C(OC2=CC=C(Cl)C=C2)C=C1"	"CC(C)COC(=O)C(C)OC1C=CC(=CC=1)OC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C19H21ClO4/c1-13(2)12-22-19(21)14(3)23-16-8-10-18(11-9-16)24-17-6-4-15(20)5-7-17/h4-11,13-14H,12H2,1-3H3"	"XNBRPBFBBCFVEH-UHFFFAOYSA-N"	"723.0"	"3"	"4"	"FALSE"	"FALSE"
"2500"	"91-59-8"	"DTXSID2020921"	"2-Naphthylamine"	"EPA_DSSTox"	"NC1=CC2=C(C=CC=C2)C=C1"	"NC1C=C2C=CC=CC2=CC=1"	"?"	"InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2"	"JBIJLHTVPXGSAM-UHFFFAOYSA-N"	"727.0"	"3"	"4"	"FALSE"	"FALSE"
"2501"	"13522-00-4"	"DTXSID20159281"	"Pyrazine, 2-methyl-3-piperidino-, monohydrochloride"	"EPA_DSSTox"	"Cl.CC1=NC=CN=C1N1CCCCC1"	"CC1=NC=CN=C1N1CCCCC1"	"Cl"	"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"	"730.0"	"3"	"4"	"FALSE"	"FALSE"
"2502"	"52334-99-3"	"DTXSID20886000"	"Propanamide, 3-mercapto-N-methyl-"	"EPA_DSSTox"	"CNC(=O)CCS"	"CNC(=O)CCS"	"?"	"InChI=1S/C4H9NOS/c1-5-4(6)2-3-7/h7H,2-3H2,1H3,(H,5,6)"	"VYQTZFNKSHBQKY-UHFFFAOYSA-N"	"730.0"	"3"	"4"	"FALSE"	"FALSE"
"2503"	"33353-30-9"	"DTXSID60186970"	"Rhc 3281"	"EPA_DSSTox"	"ClC1=CC2=C(SC(=O)N2CC(=O)N2CCNCC2)C=C1"	"O=C1SC2C=CC(Cl)=CC=2N1CC(=O)N1CCNCC1"	"?"	"InChI=1S/C13H14ClN3O2S/c14-9-1-2-11-10(7-9)17(13(19)20-11)8-12(18)16-5-3-15-4-6-16/h1-2,7,15H,3-6,8H2"	"RPRUIZPTDDIOHH-UHFFFAOYSA-N"	"734.0"	"3"	"4"	"FALSE"	"FALSE"
"2504"	"56-18-8"	"DTXSID0025440"	"Iminobis-3-propylamine"	"EPA_DSSTox"	"NCCCNCCCN"	"NCCCNCCCN"	"?"	"InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2"	"OTBHHUPVCYLGQO-UHFFFAOYSA-N"	"738.0"	"3"	"4"	"FALSE"	"FALSE"
"2505"	"24699-40-9"	"DTXSID90179436"	"Picoperine hydrochloride"	"EPA_DSSTox"	"Cl.C(CN1CCCCC1)N(CC1=CC=CC=N1)C1=CC=CC=C1"	"C(C1C=CC=CN=1)N(CCN1CCCCC1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C19H25N3/c1-3-10-19(11-4-1)22(17-18-9-5-6-12-20-18)16-15-21-13-7-2-8-14-21/h1,3-6,9-12H,2,7-8,13-17H2"	"MVMXJBMAGBRAHD-UHFFFAOYSA-N"	"740.0"	"3"	"4"	"FALSE"	"FALSE"
"2506"	"80-18-2"	"DTXSID5052549"	"Methyl benzenesulphonate"	"EPA_DSSTox"	"COS(=O)(=O)C1=CC=CC=C1"	"COS(=O)(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C7H8O3S/c1-10-11(8,9)7-5-3-2-4-6-7/h2-6H,1H3"	"CZXGXYBOQYQXQD-UHFFFAOYSA-N"	"740.0"	"3"	"4"	"FALSE"	"FALSE"
"2507"	"98-80-6"	"DTXSID9059179"	"Boronic acid, phenyl-"	"EPA_DSSTox"	"OB(O)C1=CC=CC=C1"	"OB(O)C1C=CC=CC=1"	"?"	"InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H"	"HXITXNWTGFUOAU-UHFFFAOYSA-N"	"740.0"	"3"	"4"	"FALSE"	"FALSE"
"2508"	"76-90-4"	"DTXSID4023252"	"Mepenzolate bromide"	"EPA_DSSTox"	"[Br-].C[N+]1(C)CCCC(C1)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1"	"C[N+]1(C)CC(CCC1)OC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1"	"[Br-]"	"InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1"	"GKNPSSNBBWDAGH-UHFFFAOYSA-N"	"742.0"	"3"	"4"	"FALSE"	"FALSE"
"2509"	"6973-01-9"	"DTXSID20220026"	"4-Pteridinamine (9CI)"	"EPA_DSSTox"	"NC1=NC=NC2=NC=CN=C12"	"NC1=NC=NC2N=CC=NC=21"	"?"	"InChI=1S/C6H5N5/c7-5-4-6(11-3-10-5)9-2-1-8-4/h1-3H,(H2,7,9,10,11)"	"VFATYAVSACUHHG-UHFFFAOYSA-N"	"745.0"	"3"	"4"	"FALSE"	"FALSE"
"2510"	"99464-64-9"	"DTXSID6046474"	"Ampiroxicam"	"EPA_DSSTox"	"CCOC(=O)OC(C)OC1=C(N(C)S(=O)(=O)C2=CC=CC=C12)C(=O)NC1=NC=CC=C1"	"CCOC(=O)OC(C)OC1=C(C(=O)NC2=CC=CC=N2)N(C)S(=O)(=O)C2=CC=CC=C21"	"?"	"InChI=1S/C20H21N3O7S/c1-4-28-20(25)30-13(2)29-18-14-9-5-6-10-15(14)31(26,27)23(3)17(18)19(24)22-16-11-7-8-12-21-16/h5-13H,4H2,1-3H3,(H,21,22,24)"	"LSNWBKACGXCGAJ-UHFFFAOYSA-N"	"747.0"	"3"	"4"	"FALSE"	"FALSE"
"2511"	"13256-21-8"			"Public_CrossChecked"	"CN(N=O)C1CCS(=O)(=O)C1"	"CN(N=O)C1CS(=O)(=O)CC1"	"?"	"InChI=1S/C5H10N2O3S/c1-7(6-8)5-2-3-11(9,10)4-5/h5H,2-4H2,1H3"	"PRZXZYVFNZCXQH-UHFFFAOYSA-N"	"750.0"	"3"	"4"	"FALSE"	"FALSE"
"2512"	"14052-79-0"	"DTXSID80161426"	"2-Furaldehyde, 5-nitro-, 4,4-dimethyl-3-thiosemicarbazone"	"EPA_DSSTox"	"CN(C)C(=S)N\N=C\C1=CC=C(O1)[N+]([O-])=O"	"CN(C)C(=S)NN=CC1=CC=C(O1)[N+]([O-])=O"	"?"	"InChI=1S/C8H10N4O3S/c1-11(2)8(16)10-9-5-6-3-4-7(15-6)12(13)14/h3-5H,1-2H3,(H,10,16)"	"CWSFSUPASHHZKE-UHFFFAOYSA-N"	"750.0"	"3"	"4"	"FALSE"	"FALSE"
"2513"	"15043-63-7"	"DTXSID30164543"	"Phosphorothioic acid, O-carvacryl O,O-dimethyl ester"	"EPA_DSSTox"	"COP(=S)(OC)OC1=C(C)C=CC(=C1)C(C)C"	"CC1=CC=C(C=C1OP(=S)(OC)OC)C(C)C"	"?"	"InChI=1S/C12H19O3PS/c1-9(2)11-7-6-10(3)12(8-11)15-16(17,13-4)14-5/h6-9H,1-5H3"	"GVNHAMVMELYILJ-UHFFFAOYSA-N"	"750.0"	"3"	"4"	"FALSE"	"FALSE"
"2514"	"19379-90-9"	"DTXSID3041906"	"Dodecyl bis(2-hydroxyethyl) benzyl ammonium chloride"	"EPA_DSSTox"	"[Cl-].CCCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1"	"CCCCCCCCCCCC[N+](CC1C=CC=CC=1)(CCO)CCO"	"[Cl-]"	"InChI=1S/C23H42NO2/c1-2-3-4-5-6-7-8-9-10-14-17-24(18-20-25,19-21-26)22-23-15-12-11-13-16-23/h11-13,15-16,25-26H,2-10,14,17-22H2,1H3/q+1"	"BTAFSOGRDASALR-UHFFFAOYSA-N"	"750.0"	"3"	"4"	"FALSE"	"FALSE"
"2515"	"3004-71-5"	"DTXSID9062774"	"6-Chloro-N-methyl-N'-isopropyl-1,3,5-triazine-2,4-diamine"	"EPA_DSSTox"	"CNC1=NC(Cl)=NC(NC(C)C)=N1"	"CNC1N=C(NC(C)C)N=C(Cl)N=1"	"?"	"InChI=1S/C7H12ClN5/c1-4(2)10-7-12-5(8)11-6(9-3)13-7/h4H,1-3H3,(H2,9,10,11,12,13)"	"KLJYRZOFJHYOCO-UHFFFAOYSA-N"	"750.0"	"3"	"4"	"FALSE"	"FALSE"
"2516"	"35783-57-4"	"DTXSID70189311"	"Acetamide, N-(5-chloro-2-benzoxazolyl)-"	"EPA_DSSTox"	"NC(=O)CC1=NC2=C(O1)C=CC(Cl)=C2"	"NC(=O)CC1=NC2=CC(Cl)=CC=C2O1"	"?"	"InChI=1S/C9H7ClN2O2/c10-5-1-2-7-6(3-5)12-9(14-7)4-8(11)13/h1-3H,4H2,(H2,11,13)"	"JSYBNEUCRYGVAR-UHFFFAOYSA-N"	"750.0"	"3"	"4"	"FALSE"	"FALSE"
"2517"	"52129-71-2"	"DTXSID7068710"	"Ethanone, 1-[4-(dipropylamino)-3,5-dinitrophenyl]-"	"EPA_DSSTox"	"CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(C)=O)[N+]([O-])=O"	"CC(=O)C1=CC(=C(C(=C1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O"	"?"	"InChI=1S/C14H19N3O5/c1-4-6-15(7-5-2)14-12(16(19)20)8-11(10(3)18)9-13(14)17(21)22/h8-9H,4-7H2,1-3H3"	"VAKVTKYOQPQPJM-UHFFFAOYSA-N"	"750.0"	"3"	"4"	"FALSE"	"FALSE"
"2518"	"60706-48-1"			"Public_CrossChecked"	"COc1ccc2N(C3CCCN(C)C3)c3ccccc3Sc2c1"	"CN1CCCC(C1)N1C2=CC=C(C=C2SC2C=CC=CC1=2)OC"	"?"	"InChI=1S/C19H22N2OS/c1-20-11-5-6-14(13-20)21-16-7-3-4-8-18(16)23-19-12-15(22-2)9-10-17(19)21/h3-4,7-10,12,14H,5-6,11,13H2,1-2H3"	"LUEVNSVASOZCPK-UHFFFAOYSA-N"	"750.0"	"3"	"4"	"FALSE"	"FALSE"
"2519"	"7341-63-1"	"DTXSID80223639"	"Urea, 1-allyl-3-phenyl-2-thio-"	"EPA_DSSTox"	"C=CCNC(=S)NC1=CC=CC=C1"	"C=CCNC(=S)NC1C=CC=CC=1"	"?"	"InChI=1S/C10H12N2S/c1-2-8-11-10(13)12-9-6-4-3-5-7-9/h2-7H,1,8H2,(H2,11,12,13)"	"RJTICPGQFMYYEG-UHFFFAOYSA-N"	"750.0"	"3"	"4"	"FALSE"	"FALSE"
"2520"	"85095-77-8"			"Public_CrossChecked"	"OC(CCl)CN1CCCN(CC(O)CCl)c2ccccc12"	"OC(CN1CCCN(CC(O)CCl)C2C=CC=CC1=2)CCl"	"?"	"InChI=1S/C15H22Cl2N2O2/c16-8-12(20)10-18-6-3-7-19(11-13(21)9-17)15-5-2-1-4-14(15)18/h1-2,4-5,12-13,20-21H,3,6-11H2"	"IEASBLZEYIZUMU-UHFFFAOYSA-N"	"750.0"	"3"	"4"	"FALSE"	"FALSE"
"2521"	"5778-80-3"			"Public_CrossChecked"	"COc1ccc2nc3CCCCc3c(N)c2c1"	"COC1=CC2=C(N)C3CCCCC=3N=C2C=C1"	"?"	"InChI=1S/C14H16N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16)"	"APQPVVOYBLOJDY-UHFFFAOYSA-N"	"753.0"	"3"	"4"	"FALSE"	"FALSE"
"2522"	"553-69-5"			"Public_CrossChecked"	"OC(CNc1ccccn1)c1ccccc1"	"OC(CNC1C=CC=CN=1)C1C=CC=CC=1"	"?"	"InChI=1S/C13H14N2O/c16-12(11-6-2-1-3-7-11)10-15-13-8-4-5-9-14-13/h1-9,12,16H,10H2,(H,14,15)"	"ZEAJXCPGHPJVNP-UHFFFAOYSA-N"	"756.0"	"3"	"4"	"FALSE"	"FALSE"
"2523"	"10347-81-6"	"DTXSID2044507"	"Maprotiline hydrochloride"	"EPA_DSSTox"	"Cl.CNCCCC12CCC(C3=C1C=CC=C3)C1=C2C=CC=C1"	"CNCCCC12CCC(C3C=CC=CC1=3)C1C=CC=CC2=1"	"Cl"	"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"	"760.0"	"3"	"4"	"FALSE"	"FALSE"
"2524"	"4171-13-5"			"Public_CrossChecked"	"CCC(C)C(CC)C(N)=O"	"CC(CC)C(CC)C(N)=O"	"?"	"InChI=1S/C8H17NO/c1-4-6(3)7(5-2)8(9)10/h6-7H,4-5H2,1-3H3,(H2,9,10)"	"QRCJOCOSPZMDJY-UHFFFAOYSA-N"	"760.0"	"3"	"4"	"FALSE"	"FALSE"
"2525"	"95-25-0"	"DTXSID9022813"	"Chlorzoxazone"	"EPA_DSSTox"	"ClC1=CC=C2OC(=O)NC2=C1"	"O=C1NC2=CC(Cl)=CC=C2O1"	"?"	"InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)"	"TZFWDZFKRBELIQ-UHFFFAOYSA-N"	"763.0"	"3"	"4"	"FALSE"	"FALSE"
"2526"	"74037-29-9"			"Public_CrossChecked"	"CCCC1=NN(C(=O)C1C=O)c1ccccc1"	"CCCC1=NN(C(O)=C1C=O)C1C=CC=CC=1"	"?"	"InChI=1S/C13H14N2O2/c1-2-6-12-11(9-16)13(17)15(14-12)10-7-4-3-5-8-10/h3-5,7-9,17H,2,6H2,1H3"	"MKOSELJPVFNBOI-UHFFFAOYSA-N"	"765.0"	"3"	"4"	"FALSE"	"FALSE"
"2527"	"467-63-0"	"DTXSID1052115"	"C.I.Solvent Violet 9"	"EPA_DSSTox"	"CN(C)C1=CC=C(C=C1)C(O)(C1=CC=C(C=C1)N(C)C)C1=CC=C(C=C1)N(C)C"	"CN(C)C1C=CC(=CC=1)C(O)(C1C=CC(=CC=1)N(C)C)C1C=CC(=CC=1)N(C)C"	"?"	"InChI=1S/C25H31N3O/c1-26(2)22-13-7-19(8-14-22)25(29,20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18,29H,1-6H3"	"QFVDKARCPMTZCS-UHFFFAOYSA-N"	"770.0"	"3"	"4"	"FALSE"	"FALSE"
"2528"	"99793-38-1"	"DTXSID10244251"	"1H-1,2,4-Triazole, 1,5-bis(4-chlorophenyl)-3-(methylthio)-"	"EPA_DSSTox"	"CSC1=NN(C(=N1)C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1"	"CSC1N=C(C2C=CC(Cl)=CC=2)N(N=1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C15H11Cl2N3S/c1-21-15-18-14(10-2-4-11(16)5-3-10)20(19-15)13-8-6-12(17)7-9-13/h2-9H,1H3"	"MSDUUOVVVOVKAY-UHFFFAOYSA-N"	"770.0"	"3"	"4"	"FALSE"	"FALSE"
"2529"	"5560-72-5"	"DTXSID80204145"	"Iprindole"	"EPA_DSSTox"	"CN(C)CCCN1C2=C(CCCCCC2)C2=CC=CC=C12"	"CN(C)CCCN1C2C=CC=CC=2C2CCCCCCC1=2"	"?"	"InChI=1S/C19H28N2/c1-20(2)14-9-15-21-18-12-6-4-3-5-10-16(18)17-11-7-8-13-19(17)21/h7-8,11,13H,3-6,9-10,12,14-15H2,1-2H3"	"PLIGPBGDXASWPX-UHFFFAOYSA-N"	"775.0"	"3"	"4"	"FALSE"	"FALSE"
"2530"	"1532-10-1"	"DTXSID90165278"	"Cyclohexanol, 4-piperidino-, benzoate (ester)"	"EPA_DSSTox"	"O=C(OC1CCC(CC1)N1CCCCC1)C1=CC=CC=C1"	"O=C(OC1CCC(CC1)N1CCCCC1)C1C=CC=CC=1"	"?"	"InChI=1S/C18H25NO2/c20-18(15-7-3-1-4-8-15)21-17-11-9-16(10-12-17)19-13-5-2-6-14-19/h1,3-4,7-8,16-17H,2,5-6,9-14H2"	"XWJXAKXWAGKBPG-UHFFFAOYSA-N"	"780.0"	"3"	"4"	"FALSE"	"FALSE"
"2531"	"2156-72-1"			"Public_CrossChecked"	"CC(C)(C)N(Cl)Cl"	"CC(C)(C)N(Cl)Cl"	"?"	"InChI=1S/C4H9Cl2N/c1-4(2,3)7(5)6/h1-3H3"	"UIBSAKCPWDWPLB-UHFFFAOYSA-N"	"780.0"	"3"	"4"	"FALSE"	"FALSE"
"2532"	"57665-49-3"			"Public_CrossChecked"	"[Cl-].[Cl-].CC[NH+](CC)CCN(CC[NH+](CC)CC)n1cc(-c2ccc(Cl)cc2)c2cc(Cl)ccc12"	"CCN(CCN(CCN(CC)CC)N1C=C(C2=CC(Cl)=CC=C12)C1C=CC(Cl)=CC=1)CC"	"[Cl-].[Cl-]"	"InChI=1S/C26H36Cl2N4/c1-5-29(6-2)15-17-31(18-16-30(7-3)8-4)32-20-25(21-9-11-22(27)12-10-21)24-19-23(28)13-14-26(24)32/h9-14,19-20H,5-8,15-18H2,1-4H3"	"OIVDXYHFGJNOSP-UHFFFAOYSA-N"	"780.0"	"3"	"4"	"FALSE"	"FALSE"
"2533"	"6728-26-3"	"DTXSID1041425"	"(2E)-2-Hexenal"	"EPA_DSSTox"	"CCC\C=C\C=O"	"CCCC=CC=O"	"?"	"InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3"	"MBDOYVRWFFCFHM-UHFFFAOYSA-N"	"780.0"	"3"	"4"	"FALSE"	"FALSE"
"2534"	"91-66-7"	"DTXSID8021800"	"N,N-Diethylaniline"	"EPA_DSSTox"	"CCN(CC)C1=CC=CC=C1"	"CCN(CC)C1C=CC=CC=1"	"?"	"InChI=1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3"	"GGSUCNLOZRCGPQ-UHFFFAOYSA-N"	"782.0"	"3"	"4"	"FALSE"	"FALSE"
"2535"	"22204-87-1"	"DTXSID00176754"	"CL 71366"	"EPA_DSSTox"	"Cl.Cl.COC1=CC=C(C=C1)N1CCN(CCCN(C)C)CC1"	"CN(C)CCCN1CCN(CC1)C1=CC=C(C=C1)OC"	"Cl.Cl"	"InChI=1S/C16H27N3O/c1-17(2)9-4-10-18-11-13-19(14-12-18)15-5-7-16(20-3)8-6-15/h5-8H,4,9-14H2,1-3H3"	"MOYBVKHVBFCEQA-UHFFFAOYSA-N"	"787.0"	"3"	"4"	"FALSE"	"FALSE"
"2536"	"109-06-8"	"DTXSID9021899"	"2-Methylpyridine"	"EPA_DSSTox"	"CC1=NC=CC=C1"	"CC1C=CC=CN=1"	"?"	"InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3"	"BSKHPKMHTQYZBB-UHFFFAOYSA-N"	"790.0"	"3"	"4"	"FALSE"	"FALSE"
"2537"	"7795-91-7"			"Public_CrossChecked"	"CCC(C)OCCO"	"CCC(C)OCCO"	"?"	"InChI=1S/C6H14O2/c1-3-6(2)8-5-4-7/h6-7H,3-5H2,1-2H3"	"HUWFDQSAXOIUNP-UHFFFAOYSA-N"	"790.0"	"3"	"4"	"FALSE"	"FALSE"
"2538"	"6117-91-5"	"DTXSID2052283"	"But-2-en-1-ol"	"EPA_DSSTox"	"CC=CCO"	"CC=CCO"	"?"	"InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3"	"WCASXYBKJHWFMY-UHFFFAOYSA-N"	"793.0"	"3"	"4"	"FALSE"	"FALSE"
"2539"	"632-22-4"	"DTXSID1060893"	"Tetramethylurea"	"EPA_DSSTox"	"CN(C)C(=O)N(C)C"	"CN(C)C(=O)N(C)C"	"?"	"InChI=1S/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3"	"AVQQQNCBBIEMEU-UHFFFAOYSA-N"	"794.0"	"3"	"4"	"FALSE"	"FALSE"
"2540"	"103150-29-4"	"DTXSID90145676"	"Pyrrolidine, 1-(2-(4-(3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)ethyl)-, hydrochloride, trans-(+-)-"	"EPA_DSSTox"	"Cl.COC1=CC2=C(C=C1)[C@@H]([C@@H](C1=CC=CC=C1)C(C)(C)O2)C1=CC=C(OCCN2CCCC2)C=C1"	"COC1=CC2OC(C)(C)C(C(C=2C=C1)C1C=CC(=CC=1)OCCN1CCCC1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C30H35NO3/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/h4-6,9-16,21,28-29H,7-8,17-20H2,1-3H3"	"XZEUAXYWNKYKPL-UHFFFAOYSA-N"	"800.0"	"3"	"4"	"FALSE"	"FALSE"
"2541"	"13791-92-9"			"Public_CrossChecked"	"CC(Oc1ccc(Cl)cc1C)C(=O)N(C)C"	"CC1C=C(Cl)C=CC=1OC(C)C(=O)N(C)C"	"?"	"InChI=1S/C12H16ClNO2/c1-8-7-10(13)5-6-11(8)16-9(2)12(15)14(3)4/h5-7,9H,1-4H3"	"OKCMWDCQCIAGAQ-UHFFFAOYSA-N"	"800.0"	"3"	"4"	"FALSE"	"FALSE"
"2542"	"16726-46-8"			"Public_CrossChecked"	"Cl.Cl.OCCOCCN1CCN(CCOC(c2ccccc2)c2ccc(Cl)cc2)CC1"	"OCCOCCN1CCN(CCOC(C2=CC=C(Cl)C=C2)C2C=CC=CC=2)CC1"	"Cl.Cl"	"InChI=1S/C23H31ClN2O3/c24-22-8-6-21(7-9-22)23(20-4-2-1-3-5-20)29-18-15-26-12-10-25(11-13-26)14-17-28-19-16-27/h1-9,23,27H,10-19H2"	"WYAFTWOVSUXOHX-UHFFFAOYSA-N"	"800.0"	"3"	"4"	"FALSE"	"FALSE"
"2543"	"25155-18-4"			"Public_CrossChecked"	"[Cl-].Cc1cc(ccc1OCCOCC[N+](C)(C)Cc1ccccc1)C(C)(C)CC(C)(C)C"	"CC(C)(C)CC(C)(C)C1=CC(C)=C(C=C1)OCCOCC[N+](C)(C)CC1C=CC=CC=1"	"[Cl-]"	"InChI=1S/C28H44NO2/c1-23-20-25(28(5,6)22-27(2,3)4)14-15-26(23)31-19-18-30-17-16-29(7,8)21-24-12-10-9-11-13-24/h9-15,20H,16-19,21-22H2,1-8H3/q+1"	"UQOOPIMXBSPVJI-UHFFFAOYSA-N"	"800.0"	"3"	"4"	"FALSE"	"FALSE"
"2544"	"3589-21-7"			"Public_CrossChecked"	"CC(CN(C)C)CN1c2ccccc2CCc2ccccc12"	"CN(C)CC(C)CN1C2=CC=CC=C2CCC2C=CC=CC1=2"	"?"	"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"	"800.0"	"3"	"4"	"FALSE"	"FALSE"
"2545"	"42585-60-4"			"Public_CrossChecked"	"CC(O)C1Sc2ccccc2N(CCCN(C)C)C1c1ccccc1"	"CN(C)CCCN1C(C(SC2C=CC=CC1=2)C(C)O)C1C=CC=CC=1"	"?"	"InChI=1S/C21H28N2OS/c1-16(24)21-20(17-10-5-4-6-11-17)23(15-9-14-22(2)3)18-12-7-8-13-19(18)25-21/h4-8,10-13,16,20-21,24H,9,14-15H2,1-3H3"	"NLHSAORUHYEBFE-UHFFFAOYSA-N"	"800.0"	"3"	"4"	"FALSE"	"FALSE"
"2546"	"55837-29-1"			"Public_CrossChecked"	"CCCN(CCC)C(=O)C(Cc1ccc(OCCN(CC)CC)cc1)NC(=O)c1ccccc1"	"CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCN(CC)CC)NC(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C28H41N3O3/c1-5-18-31(19-6-2)28(33)26(29-27(32)24-12-10-9-11-13-24)22-23-14-16-25(17-15-23)34-21-20-30(7-3)8-4/h9-17,26H,5-8,18-22H2,1-4H3,(H,29,32)"	"FDBWMYOFXWMGEY-UHFFFAOYSA-N"	"800.0"	"3"	"4"	"FALSE"	"FALSE"
"2547"	"59214-92-5"	"DTXSID50207961"	"3-Pyridinecarboxamide, N-(5-amino-2-(trifluoromethyl)phenyl)-, dihydrochloride"	"EPA_DSSTox"	"Cl.Cl.NC1=CC(NC(=O)C2=CN=CC=C2)=C(C=C1)C(F)(F)F"	"NC1=CC(NC(=O)C2C=NC=CC=2)=C(C=C1)C(F)(F)F"	"Cl.Cl"	"InChI=1S/C13H10F3N3O/c14-13(15,16)10-4-3-9(17)6-11(10)19-12(20)8-2-1-5-18-7-8/h1-7H,17H2,(H,19,20)"	"ZXIUIARDVIRJNR-UHFFFAOYSA-N"	"800.0"	"3"	"4"	"FALSE"	"FALSE"
"2548"	"64037-20-3"	"DTXSID80214042"	"Benzoxazole, 5-chloro-2-dimethylamino-"	"EPA_DSSTox"	"CN(C)C1=NC2=C(O1)C=CC(Cl)=C2"	"CN(C)C1=NC2C=C(Cl)C=CC=2O1"	"?"	"InChI=1S/C9H9ClN2O/c1-12(2)9-11-7-5-6(10)3-4-8(7)13-9/h3-5H,1-2H3"	"PEIPXRWFLGUKQA-UHFFFAOYSA-N"	"800.0"	"3"	"4"	"FALSE"	"FALSE"
"2549"	"665-66-7"	"DTXSID50874031"	"Amantadine hydrochloride (1:1)"	"EPA_DSSTox"	"Cl.NC12CC3CC(CC(C3)C1)C2"	"NC12CC3CC(C1)CC(C2)C3"	"Cl"	"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"	"800.0"	"3"	"4"	"FALSE"	"FALSE"
"2550"	"78945-52-5"			"Public_CrossChecked"	"CC1(C)CC1CC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1"	"CC1(C)CC1CC1C(=O)N(C2=CC=CC=C2)N(C2=CC=CC=C2)C1=O"	"?"	"InChI=1S/C21H22N2O2/c1-21(2)14-15(21)13-18-19(24)22(16-9-5-3-6-10-16)23(20(18)25)17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3"	"BMLODIWSMKZHFY-UHFFFAOYSA-N"	"800.0"	"3"	"4"	"FALSE"	"FALSE"
"2551"	"14860-49-2"	"DTXSID2022838"	"Clobutinol"	"EPA_DSSTox"	"CC(CN(C)C)C(C)(O)CC1=CC=C(Cl)C=C1"	"CC(CN(C)C)C(C)(O)CC1C=CC(Cl)=CC=1"	"?"	"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"	"802.0"	"3"	"4"	"FALSE"	"FALSE"
"2552"	"21755-66-8"	"DTXSID40176157"	"Picoperine"	"EPA_DSSTox"	"C(CN1CCCCC1)N(CC1=CC=CC=N1)C1=CC=CC=C1"	"C(C1C=CC=CN=1)N(CCN1CCCCC1)C1C=CC=CC=1"	"?"	"InChI=1S/C19H25N3/c1-3-10-19(11-4-1)22(17-18-9-5-6-12-20-18)16-15-21-13-7-2-8-14-21/h1,3-6,9-12H,2,7-8,13-17H2"	"MVMXJBMAGBRAHD-UHFFFAOYSA-N"	"806.0"	"3"	"4"	"FALSE"	"FALSE"
"2553"	"1867-72-7"			"Public_CrossChecked"	"[Cl-].[Cl-].CC(C)(C)[NH2+]CCCC[NH3+]"	"CC(C)(C)NCCCCN"	"[Cl-].[Cl-]"	"InChI=1S/C8H20N2/c1-8(2,3)10-7-5-4-6-9/h10H,4-7,9H2,1-3H3"	"JAUBXQBMUWRRNS-UHFFFAOYSA-N"	"810.0"	"3"	"4"	"FALSE"	"FALSE"
"2554"	"556-82-1"	"DTXSID2027206"	"3-Methyl-2-buten-1-ol"	"EPA_DSSTox"	"CC(C)=CCO"	"CC(C)=CCO"	"?"	"InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3"	"ASUAYTHWZCLXAN-UHFFFAOYSA-N"	"810.0"	"3"	"4"	"FALSE"	"FALSE"
"2555"	"76-58-4"	"DTXSID1046760"	"Ethylmorphine"	"EPA_DSSTox"	"CCOC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)=C2[C@@]34CCN5C"	"CCOC1C=CC2CC3C4C=CC(O)C5OC=1C=2C45CCN3C"	"?"	"InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3"	"OGDVEMNWJVYAJL-UHFFFAOYSA-N"	"810.0"	"3"	"4"	"FALSE"	"FALSE"
"2556"	"64245-83-6"	"DTXSID6070065"	"2,2-Propanediamine, N,N,N',N'-tetrafluoro-1,3-bis(2-fluoro-2,2-dinitroethoxy)-"	"EPA_DSSTox"	"FN(F)C(COCC(F)(N(=O)=O)N(=O)=O)(COCC(F)(N(=O)=O)N(=O)=O)N(F)F"	"[O-][N+](=O)C(F)(COCC(COCC(F)([N+]([O-])=O)[N+]([O-])=O)(N(F)F)N(F)F)[N+]([O-])=O"	"?"	"InChI=1S/C7H8F6N6O10/c8-6(16(20)21,17(22)23)3-28-1-5(14(10)11,15(12)13)2-29-4-7(9,18(24)25)19(26)27/h1-4H2"	"RPDFNWYMPMQRQO-UHFFFAOYSA-N"	"812.0"	"3"	"4"	"FALSE"	"FALSE"
"2557"	"88-82-4"	"DTXSID4041317"	"2,3,5-Triiodobenzoic acid"	"EPA_DSSTox"	"OC(=O)C1=C(I)C(I)=CC(I)=C1"	"OC(=O)C1C=C(I)C=C(I)C=1I"	"?"	"InChI=1S/C7H3I3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)"	"ZMZGFLUUZLELNE-UHFFFAOYSA-N"	"813.0"	"3"	"4"	"FALSE"	"FALSE"
"2558"	"16714-68-4"	"DTXSID1051777"	"1,1,2,2,3-Pentachloropropane"	"EPA_DSSTox"	"ClCC(Cl)(Cl)C(Cl)Cl"	"ClCC(Cl)(Cl)C(Cl)Cl"	"?"	"InChI=1S/C3H3Cl5/c4-1-3(7,8)2(5)6/h2H,1H2"	"IYFMQUDCYNWFTL-UHFFFAOYSA-N"	"819.0"	"3"	"4"	"FALSE"	"FALSE"
"2559"	"28929-86-4"			"Public_CrossChecked"	"CCCCC(C)(C)O"	"CCCCC(C)(C)O"	"?"	"InChI=1S/C7H16O/c1-4-5-6-7(2,3)8/h8H,4-6H2,1-3H3"	"KRIMXCDMVRMCTC-UHFFFAOYSA-N"	"820.0"	"3"	"4"	"FALSE"	"FALSE"
"2560"	"6476-37-5"	"DTXSID0073372"	"Phosphine, dicyclohexylphenyl-"	"EPA_DSSTox"	"C1CCC(CC1)P(C1CCCCC1)C1=CC=CC=C1"	"C1CCCCC1P(C1CCCCC1)C1C=CC=CC=1"	"?"	"InChI=1S/C18H27P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2"	"VPLLTGLLUHLIHA-UHFFFAOYSA-N"	"820.0"	"3"	"4"	"FALSE"	"FALSE"
"2561"	"3268-19-7"			"Public_CrossChecked"	"COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O[C@@H]2O[C@@H]3COC(O[C@H]3[C@H](O)[C@H]2O)c2ccccc2)c2cc3OCOc3cc12"	"COC1C(=CC(=CC=1OC)C1C2C(COC2=O)C(OC2OC3COC(OC3C(O)C2O)C2C=CC=CC=2)C2C=C3OCOC3=CC=21)OC"	"?"	"InChI=1S/C35H36O13/c1-39-23-9-17(10-24(40-2)31(23)41-3)26-18-11-21-22(45-15-44-21)12-19(18)30(20-13-42-33(38)27(20)26)47-35-29(37)28(36)32-25(46-35)14-43-34(48-32)16-7-5-4-6-8-16/h4-12,20,25-30,32,34-37H,13-15H2,1-3H3"	"SBPPWJIDARICBS-UHFFFAOYSA-N"	"823.0"	"3"	"4"	"FALSE"	"FALSE"
"2562"	"1863-63-4"	"DTXSID4041602"	"Ammonium benzoate"	"EPA_DSSTox"	"[NH4+].[O-]C(=O)C1=CC=CC=C1"	"OC(=O)C1C=CC=CC=1"	"[NH4+]"	"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)"	"WPYMKLBDIGXBTP-UHFFFAOYSA-N"	"825.0"	"3"	"4"	"FALSE"	"FALSE"
"2563"	"111729-41-0"	"DTXSID5073799"	"Methanimidamide, N,N''-[6-(diethylamino)-1,3,5-triazine-2,4-diyl]bis[N,N'-bis(2,2,6,6-tetramethyl-4-piperidinyl)-"	"EPA_DSSTox"	"CCN(CC)C1=NC(=NC(=N1)N(C=NC1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1)N(C=NC1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1"	"CC1(C)CC(CC(C)(C)N1)N=CN(C1CC(C)(C)NC(C)(C)C1)C1=NC(=NC(=N1)N(C=NC1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1)N(CC)CC"	"?"	"InChI=1S/C45H84N12/c1-19-55(20-2)35-48-36(56(33-25-42(11,12)53-43(13,14)26-33)29-46-31-21-38(3,4)51-39(5,6)22-31)50-37(49-35)57(34-27-44(15,16)54-45(17,18)28-34)30-47-32-23-40(7,8)52-41(9,10)24-32/h29-34,51-54H,19-28H2,1-18H3"	"JZVDGAMNKMBSCN-UHFFFAOYSA-N"	"826.0"	"3"	"4"	"FALSE"	"FALSE"
"2564"	"43200-80-2"	"DTXSID4041155"	"Zopiclone"	"EPA_DSSTox"	"CN1CCN(CC1)C(=O)OC1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1"	"CN1CCN(CC1)C(=O)OC1C2=NC=CN=C2C(=O)N1C1C=CC(Cl)=CN=1"	"?"	"InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3"	"GBBSUAFBMRNDJC-UHFFFAOYSA-N"	"827.0"	"3"	"4"	"FALSE"	"FALSE"
"2565"	"40548-68-3"	"DTXSID1021326"	"Tetrahydro-2-nitroso-2H-1,2-oxazine"	"EPA_DSSTox"	"O=NN1CCCCO1"	"O=NN1CCCCO1"	"?"	"InChI=1S/C4H8N2O2/c7-5-6-3-1-2-4-8-6/h1-4H2"	"PREXGTBZMLDXHV-UHFFFAOYSA-N"	"830.0"	"3"	"4"	"FALSE"	"FALSE"
"2566"	"87687-13-6"			"Public_CrossChecked"	"Cl.Cl.CN1CCN(C[C@@H]2[C@@H](Sc3ccccc3NC2=O)c2ccccc2)CC1"	"CN1CCN(CC2C(SC3C=CC=CC=3NC2=O)C2C=CC=CC=2)CC1"	"Cl.Cl"	"InChI=1S/C21H25N3OS/c1-23-11-13-24(14-12-23)15-17-20(16-7-3-2-4-8-16)26-19-10-6-5-9-18(19)22-21(17)25/h2-10,17,20H,11-15H2,1H3,(H,22,25)"	"YGOYABDTPZVXLE-UHFFFAOYSA-N"	"830.0"	"3"	"4"	"FALSE"	"FALSE"
"2567"	"51799-29-2"	"DTXSID00199726"	"Nifurpipone acetate"	"EPA_DSSTox"	"CC(O)=O.CN1CCN(CC(=O)N\N=C\C2=CC=C(O2)[N+]([O-])=O)CC1"	"CN1CCN(CC(=O)NN=CC2=CC=C(O2)[N+]([O-])=O)CC1"	"OC(=O)C"	"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"	"833.0"	"3"	"4"	"FALSE"	"FALSE"
"2568"	"3733-63-9"	"DTXSID40190777"	"Decloxizine"	"EPA_DSSTox"	"OCCOCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1"	"OCCOCCN1CCN(CC1)C(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C21H28N2O2/c24-16-18-25-17-15-22-11-13-23(14-12-22)21(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,21,24H,11-18H2"	"OXBBIHZWNDPBMQ-UHFFFAOYSA-N"	"840.0"	"3"	"4"	"FALSE"	"FALSE"
"2569"	"550-70-9"	"DTXSID10872513"	"Triprolidine hydrochloride"	"EPA_DSSTox"	"Cl.CC1=CC=C(C=C1)C(=C/CN1CCCC1)\C1=CC=CC=N1"	"CC1=CC=C(C=C1)C(=CCN1CCCC1)C1C=CC=CN=1"	"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"	"840.0"	"3"	"4"	"FALSE"	"FALSE"
"2570"	"4871-72-1"			"Public_CrossChecked"	"Cc1ccnc(SCCC(F)=C(F)F)n1"	"CC1=CC=NC(=N1)SCCC(F)=C(F)F"	"?"	"InChI=1S/C9H9F3N2S/c1-6-2-4-13-9(14-6)15-5-3-7(10)8(11)12/h2,4H,3,5H2,1H3"	"NKPJVIJBXNJMEM-UHFFFAOYSA-N"	"844.0"	"3"	"4"	"FALSE"	"FALSE"
"2571"	"115-76-4"	"DTXSID50150923"	"Prenderol"	"EPA_DSSTox"	"CCC(CC)(CO)CO"	"CCC(CO)(CO)CC"	"?"	"InChI=1S/C7H16O2/c1-3-7(4-2,5-8)6-9/h8-9H,3-6H2,1-2H3"	"XRVCFZPJAHWYTB-UHFFFAOYSA-N"	"850.0"	"3"	"4"	"FALSE"	"FALSE"
"2572"	"17969-20-9"	"DTXSID4046157"	"Fenclozic acid"	"EPA_DSSTox"	"OC(=O)CC1=CSC(=N1)C1=CC=C(Cl)C=C1"	"OC(=O)CC1=CSC(=N1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C11H8ClNO2S/c12-8-3-1-7(2-4-8)11-13-9(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15)"	"APBSKHYXXKHJFK-UHFFFAOYSA-N"	"850.0"	"3"	"4"	"FALSE"	"FALSE"
"2573"	"34314-63-1"	"DTXSID30187878"	"3-Oxauracil"	"EPA_DSSTox"	"O=C1NC=CC(=O)O1"	"O=C1C=CNC(=O)O1"	"?"	"InChI=1S/C4H3NO3/c6-3-1-2-5-4(7)8-3/h1-2H,(H,5,7)"	"WQAIPNTUCFSZRZ-UHFFFAOYSA-N"	"850.0"	"3"	"4"	"FALSE"	"FALSE"
"2574"	"580-48-3"	"DTXSID6041765"	"Chlorazine"	"EPA_DSSTox"	"CCN(CC)C1=NC(=NC(Cl)=N1)N(CC)CC"	"CCN(CC)C1N=C(Cl)N=C(N=1)N(CC)CC"	"?"	"InChI=1S/C11H20ClN5/c1-5-16(6-2)10-13-9(12)14-11(15-10)17(7-3)8-4/h5-8H2,1-4H3"	"QHXDTLYEHWXDSO-UHFFFAOYSA-N"	"850.0"	"3"	"4"	"FALSE"	"FALSE"
"2575"	"25369-84-0"	"DTXSID00180013"	"Piperidine, 1-(1H-benzimidazol-2-ylthio)-"	"EPA_DSSTox"	"C1CCN(CC1)SC1=NC2=CC=CC=C2N1"	"C1CCCCN1SC1NC2C=CC=CC=2N=1"	"?"	"InChI=1S/C12H15N3S/c1-4-8-15(9-5-1)16-12-13-10-6-2-3-7-11(10)14-12/h2-3,6-7H,1,4-5,8-9H2,(H,13,14)"	"OQXJJUZITCLMST-UHFFFAOYSA-N"	"853.0"	"3"	"4"	"FALSE"	"FALSE"
"2576"	"101692-44-8"			"Public_CrossChecked"	"OC(=O)CC(O)(CC(O)=O)C(O)=O.CCOc1ccc(cc1)C1CC(N(CC)CC)c2ccccc12"	"CCOC1C=CC(=CC=1)C1CC(C2=CC=CC=C21)N(CC)CC"	"C(C(=O)O)C(CC(=O)O)(C(=O)O)O"	"InChI=1S/C21H27NO/c1-4-22(5-2)21-15-20(18-9-7-8-10-19(18)21)16-11-13-17(14-12-16)23-6-3/h7-14,20-21H,4-6,15H2,1-3H3"	"QONIRWAVPNWJBQ-UHFFFAOYSA-N"	"860.0"	"3"	"4"	"FALSE"	"FALSE"
"2577"	"479-92-5"	"DTXSID6023529"	"Propyphenazone"	"EPA_DSSTox"	"CC(C)C1=C(C)N(C)N(C1=O)C1=CC=CC=C1"	"CN1C(C)=C(C(C)C)C(=O)N1C1C=CC=CC=1"	"?"	"InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3"	"PXWLVJLKJGVOKE-UHFFFAOYSA-N"	"860.0"	"3"	"4"	"FALSE"	"FALSE"
"2578"	"67746-30-9"	"DTXSID50886871"	"2-Hexene, 1,1-diethoxy-, (2E)-"	"EPA_DSSTox"	"CCC\C=C\C(OCC)OCC"	"CCCC=CC(OCC)OCC"	"?"	"InChI=1S/C10H20O2/c1-4-7-8-9-10(11-5-2)12-6-3/h8-10H,4-7H2,1-3H3"	"WMQKYHTZGYIHHD-UHFFFAOYSA-N"	"860.0"	"3"	"4"	"FALSE"	"FALSE"
"2579"	"30653-83-9"			"Public_CrossChecked"	"CCCCNC(=O)c1cc(N)ccc1OCC#C"	"CCCCNC(=O)C1C=C(N)C=CC=1OCC#C"	"?"	"InChI=1S/C14H18N2O2/c1-3-5-8-16-14(17)12-10-11(15)6-7-13(12)18-9-4-2/h2,6-7,10H,3,5,8-9,15H2,1H3,(H,16,17)"	"DXHYQIJBUNRPJT-UHFFFAOYSA-N"	"864.0"	"3"	"4"	"FALSE"	"FALSE"
"2580"	"100286-90-6"	"DTXSID6045953"	"Irinotecan hydrochloride"	"EPA_DSSTox"	"Cl.CCC1=C2CN3C(=CC4=C(COC(=O)[C@]4(O)CC)C3=O)C2=NC2=CC=C(OC(=O)N3CCC(CC3)N3CCCCC3)C=C12"	"CCC1C2C=C(C=CC=2N=C2C3=CC4=C(COC(=O)C4(O)CC)C(=O)N3CC2=1)OC(=O)N1CCC(CC1)N1CCCCC1"	"Cl"	"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"	"867.0"	"3"	"4"	"FALSE"	"FALSE"
"2581"	"3140-73-6"	"DTXSID60185322"	"2-Chloro-4,6-dimethoxy-1,3,5-triazine"	"EPA_DSSTox"	"COC1=NC(OC)=NC(Cl)=N1"	"COC1N=C(Cl)N=C(N=1)OC"	"?"	"InChI=1S/C5H6ClN3O2/c1-10-4-7-3(6)8-5(9-4)11-2/h1-2H3"	"GPIQOFWTZXXOOV-UHFFFAOYSA-N"	"870.0"	"3"	"4"	"FALSE"	"FALSE"
"2582"	"33235-84-6"			"Public_CrossChecked"	"CCOC(C1=NCCCN1)c1ccc(Cl)cc1"	"CCOC(C1NCCCN=1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C13H17ClN2O/c1-2-17-12(13-15-8-3-9-16-13)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3,(H,15,16)"	"VWBNFHRDDOEDJI-UHFFFAOYSA-N"	"875.0"	"3"	"4"	"FALSE"	"FALSE"
"2583"	"52963-63-0"			"Public_CrossChecked"	"CCCCN1CC(C)CN=C1C(OCC)c1ccccc1"	"CC1CN=C(C(OCC)C2C=CC=CC=2)N(C1)CCCC"	"?"	"InChI=1S/C18H28N2O/c1-4-6-12-20-14-15(3)13-19-18(20)17(21-5-2)16-10-8-7-9-11-16/h7-11,15,17H,4-6,12-14H2,1-3H3"	"QPFCPBGIHZXRES-UHFFFAOYSA-N"	"875.0"	"3"	"4"	"FALSE"	"FALSE"
"2584"	"1172-18-5"	"DTXSID3025334"	"Flurazepam dihydrochloride"	"EPA_DSSTox"	"Cl.Cl.CCN(CC)CCN1C2=CC=C(Cl)C=C2C(=NCC1=O)C1=CC=CC=C1F"	"CCN(CCN1C(=O)CN=C(C2=CC=CC=C2F)C2C=C(Cl)C=CC1=2)CC"	"Cl.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"	"879.0"	"3"	"4"	"FALSE"	"FALSE"
"2585"	"136-96-9"	"DTXSID40159627"	"Diamthazole dihydrochloride"	"EPA_DSSTox"	"Cl.Cl.CCN(CC)CCOC1=CC2=C(C=C1)N=C(S2)N(C)C"	"CN(C)C1=NC2C=CC(=CC=2S1)OCCN(CC)CC"	"Cl.Cl"	"InChI=1S/C15H23N3OS/c1-5-18(6-2)9-10-19-12-7-8-13-14(11-12)20-15(16-13)17(3)4/h7-8,11H,5-6,9-10H2,1-4H3"	"WGMYEOIMVYADRJ-UHFFFAOYSA-N"	"880.0"	"3"	"4"	"FALSE"	"FALSE"
"2586"	"515-83-3"	"DTXSID90870577"	"Ethanol, 2,2,2-trichloro-1-ethoxy-"	"EPA_DSSTox"	"CCOC(O)C(Cl)(Cl)Cl"	"CCOC(O)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C4H7Cl3O2/c1-2-9-3(8)4(5,6)7/h3,8H,2H2,1H3"	"DLHWKJDYXPNWAI-UHFFFAOYSA-N"	"880.0"	"3"	"4"	"FALSE"	"FALSE"
"2587"	"6294-34-4"	"DTXSID8027618"	"Phosphonic acid, (2-chloroethyl)-, bis(2-chloroethyl) ester"	"EPA_DSSTox"	"ClCCOP(=O)(CCCl)OCCCl"	"O=P(CCCl)(OCCCl)OCCCl"	"?"	"InChI=1S/C6H12Cl3O3P/c7-1-4-11-13(10,6-3-9)12-5-2-8/h1-6H2"	"XXIDKSWYSYEFAG-UHFFFAOYSA-N"	"880.0"	"3"	"4"	"FALSE"	"FALSE"
"2588"	"24549-06-2"	"DTXSID7027833"	"2-Ethyl-6-methylaniline"	"EPA_DSSTox"	"CCC1=CC=CC(C)=C1N"	"CC1C=CC=C(CC)C=1N"	"?"	"InChI=1S/C9H13N/c1-3-8-6-4-5-7(2)9(8)10/h4-6H,3,10H2,1-2H3"	"JJVKJJNCIILLRP-UHFFFAOYSA-N"	"885.0"	"3"	"4"	"FALSE"	"FALSE"
"2589"	"79201-85-7"			"Public_CrossChecked"	"CCC[C@@]1(CCN(C)C[C@@H]1C)c1cccc(O)c1"	"CCCC1(CCN(C)CC1C)C1C=CC=C(O)C=1"	"?"	"InChI=1S/C16H25NO/c1-4-8-16(9-10-17(3)12-13(16)2)14-6-5-7-15(18)11-14/h5-7,11,13,18H,4,8-10,12H2,1-3H3"	"RTOHPIRUUAKHOZ-UHFFFAOYSA-N"	"887.0"	"3"	"4"	"FALSE"	"FALSE"
"2590"	"128-50-7"	"DTXSID10861780"	"Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-"	"EPA_DSSTox"	"CC1(C)C2CC1C(CCO)=CC2"	"CC1(C)C2CC1CC=C2CCO"	"?"	"InChI=1S/C11H18O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,9-10,12H,4-7H2,1-2H3"	"ROKSAUSPJGWCSM-UHFFFAOYSA-N"	"890.0"	"3"	"4"	"FALSE"	"FALSE"
"2591"	"2421-07-0"			"Public_CrossChecked"	"CC1COC(O1)C=C"	"CC1COC(C=C)O1"	"?"	"InChI=1S/C6H10O2/c1-3-6-7-4-5(2)8-6/h3,5-6H,1,4H2,2H3"	"BGIDUFCVXOXJNO-UHFFFAOYSA-N"	"890.0"	"3"	"4"	"FALSE"	"FALSE"
"2592"	"91-16-7"	"DTXSID7047065"	"1,2-Dimethoxybenzene"	"EPA_DSSTox"	"COC1=CC=CC=C1OC"	"COC1C=CC=CC=1OC"	"?"	"InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3"	"ABDKAPXRBAPSQN-UHFFFAOYSA-N"	"890.0"	"3"	"4"	"FALSE"	"FALSE"
"2593"	"110283-66-4"	"DTXSID30149193"	"3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-(2-(bis(4-(trifluoromethyl)phenyl)methoxy)ethyl)-, hydrochloride"	"EPA_DSSTox"	"Cl.OC(=O)C1=CCCN(CCOC(C2=CC=C(C=C2)C(F)(F)F)C2=CC=C(C=C2)C(F)(F)F)C1"	"OC(=O)C1CN(CCOC(C2C=CC(=CC=2)C(F)(F)F)C2C=CC(=CC=2)C(F)(F)F)CCC=1"	"Cl"	"InChI=1S/C23H21F6NO3/c24-22(25,26)18-7-3-15(4-8-18)20(16-5-9-19(10-6-16)23(27,28)29)33-13-12-30-11-1-2-17(14-30)21(31)32/h2-10,20H,1,11-14H2,(H,31,32)"	"CMHQDSBIBSKHFP-UHFFFAOYSA-N"	"894.0"	"3"	"4"	"FALSE"	"FALSE"
"2594"	"882-09-7"	"DTXSID1040661"	"Clofibric acid"	"EPA_DSSTox"	"CC(C)(OC1=CC=C(Cl)C=C1)C(O)=O"	"CC(C)(OC1C=CC(Cl)=CC=1)C(O)=O"	"?"	"InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)"	"TXCGAZHTZHNUAI-UHFFFAOYSA-N"	"897.0"	"3"	"4"	"FALSE"	"FALSE"
"2595"	"13593-08-3"	"DTXSID0057964"	"Quinalphos-methyl"	"EPA_DSSTox"	"COP(=S)(OC)OC1=NC2=CC=CC=C2N=C1"	"COP(=S)(OC1=CN=C2C=CC=CC2=N1)OC"	"?"	"InChI=1S/C10H11N2O3PS/c1-13-16(17,14-2)15-10-7-11-8-5-3-4-6-9(8)12-10/h3-7H,1-2H3"	"RNGDKAQQWUYBAS-UHFFFAOYSA-N"	"900.0"	"3"	"4"	"FALSE"	"FALSE"
"2596"	"19376-15-9"			"Public_CrossChecked"	"CC(OC(C)=O)C(Cl)(Cl)Cl"	"CC(OC(C)=O)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C5H7Cl3O2/c1-3(5(6,7)8)10-4(2)9/h3H,1-2H3"	"YFLDUTFKTAURAE-UHFFFAOYSA-N"	"900.0"	"3"	"4"	"FALSE"	"FALSE"
"2597"	"25103-52-0"	"DTXSID5040251"	"Isooctanoic acid"	"EPA_DSSTox"	"CC(C)CC(C)CC(O)=O"	"CC(C)CC(C)CC(O)=O"	"?"	"InChI=1S/C8H16O2/c1-6(2)4-7(3)5-8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10)"	"KTWWTCBUJPAASC-UHFFFAOYSA-N"	"900.0"	"3"	"4"	"FALSE"	"FALSE"
"2598"	"30616-36-5"	"DTXSID50184682"	"Acetic acid, bis(p-chlorophenoxy)-, cyclohexyl ester"	"EPA_DSSTox"	"ClC1=CC=C(OC(OC2=CC=C(Cl)C=C2)C(=O)OC2CCCCC2)C=C1"	"O=C(OC1CCCCC1)C(OC1=CC=C(Cl)C=C1)OC1=CC=C(Cl)C=C1"	"?"	"InChI=1S/C20H20Cl2O4/c21-14-6-10-17(11-7-14)25-20(26-18-12-8-15(22)9-13-18)19(23)24-16-4-2-1-3-5-16/h6-13,16,20H,1-5H2"	"VXPXCNZMCSKVAS-UHFFFAOYSA-N"	"900.0"	"3"	"4"	"FALSE"	"FALSE"
"2599"	"33376-05-5"	"DTXSID80187000"	"Imidazo(2,1-b)quinazoline, 1,2,3,5-tetrahydro-, monohydrochloride"	"EPA_DSSTox"	"Cl.C1CN2CC3=CC=CC=C3NC2=N1"	"C1C2C=CC=CC=2NC2=NCCN21"	"Cl"	"InChI=1S/C10H11N3/c1-2-4-9-8(3-1)7-13-6-5-11-10(13)12-9/h1-4H,5-7H2,(H,11,12)"	"DLLZYXWYSUGNDI-UHFFFAOYSA-N"	"900.0"	"3"	"4"	"FALSE"	"FALSE"
"2600"	"440-60-8"	"DTXSID00196013"	"2,3,4,5,6-Pentafluorobenzyl alcohol"	"EPA_DSSTox"	"OCC1=C(F)C(F)=C(F)C(F)=C1F"	"OCC1C(F)=C(F)C(F)=C(F)C=1F"	"?"	"InChI=1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2"	"PGJYYCIOYBZTPU-UHFFFAOYSA-N"	"900.0"	"3"	"4"	"FALSE"	"FALSE"
"2601"	"54-80-8"	"DTXSID8021193"	"Pronethalol"	"EPA_DSSTox"	"CC(C)NCC(O)C1=CC2=CC=CC=C2C=C1"	"CC(C)NCC(O)C1C=CC2C=CC=CC=2C=1"	"?"	"InChI=1S/C15H19NO/c1-11(2)16-10-15(17)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,15-17H,10H2,1-2H3"	"HRSANNODOVBCST-UHFFFAOYSA-N"	"900.0"	"3"	"4"	"FALSE"	"FALSE"
"2602"	"60634-41-5"			"Public_CrossChecked"	"CN1CCCCC1CCN1c2ccccc2Sc2ccc(Br)cc12"	"CN1CCCCC1CCN1C2=CC(Br)=CC=C2SC2C=CC=CC1=2"	"?"	"InChI=1S/C20H23BrN2S/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"	"HGXSRQXHKMFKJM-UHFFFAOYSA-N"	"900.0"	"3"	"4"	"FALSE"	"FALSE"
"2603"	"6558-78-7"	"DTXSID50215849"	"N-n-Butyl-N-nitrosourethane"	"EPA_DSSTox"	"CCCCN(N=O)C(=O)OCC"	"CCCCN(N=O)C(=O)OCC"	"?"	"InChI=1S/C7H14N2O3/c1-3-5-6-9(8-11)7(10)12-4-2/h3-6H2,1-2H3"	"RABAKMVAMFRJLX-UHFFFAOYSA-N"	"900.0"	"3"	"4"	"FALSE"	"FALSE"
"2604"	"909-39-7"	"DTXSID5045752"	"Opipramol dihydrochloride"	"EPA_DSSTox"	"Cl.Cl.OCCN1CCN(CCCN2C3=CC=CC=C3C=CC3=CC=CC=C23)CC1"	"OCCN1CCN(CCCN2C3C=CC=CC=3C=CC3C=CC=CC2=3)CC1"	"Cl.Cl"	"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"	"900.0"	"3"	"4"	"FALSE"	"FALSE"
"2605"	"75859-03-9"	"DTXSID2048161"	"Rimcazole dihydrochloride"	"EPA_DSSTox"	"Cl.Cl.C[C@H]1CN(CCCN2C3=C(C=CC=C3)C3=C2C=CC=C3)C[C@@H](C)N1"	"CC1CN(CC(C)N1)CCCN1C2C=CC=CC=2C2C=CC=CC1=2"	"Cl.Cl"	"InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3"	"GUDVQJXODNJRIJ-UHFFFAOYSA-N"	"907.0"	"3"	"4"	"FALSE"	"FALSE"
"2606"	"602-01-7"	"DTXSID4027236"	"2,3-Dinitrotoluene"	"EPA_DSSTox"	"CC1=CC=CC(=C1[N+]([O-])=O)[N+]([O-])=O"	"CC1=CC=CC(=C1[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C7H6N2O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3"	"DYSXLQBUUOPLBB-UHFFFAOYSA-N"	"911.0"	"3"	"4"	"FALSE"	"FALSE"
"2607"	"17321-77-6"	"DTXSID3042633"	"Clomipramine hydrochloride"	"EPA_DSSTox"	"Cl.CN(C)CCCN1C2=C(CCC3=C1C=C(Cl)C=C3)C=CC=C2"	"CN(C)CCCN1C2=CC=CC=C2CCC2=CC=C(Cl)C=C12"	"Cl"	"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"	"914.0"	"3"	"4"	"FALSE"	"FALSE"
"2608"	"98-03-3"	"DTXSID7052656"	"Thiophene-2-carbaldehyde"	"EPA_DSSTox"	"O=CC1=CC=CS1"	"O=CC1=CC=CS1"	"?"	"InChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H"	"CNUDBTRUORMMPA-UHFFFAOYSA-N"	"915.0"	"3"	"4"	"FALSE"	"FALSE"
"2609"	"17692-34-1"			"Public_CrossChecked"	"OCCOCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1"	"OCCOCCOCCN1CCN(CC1)C(C1C=CC=CC=1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C23H31ClN2O3/c24-22-8-6-21(7-9-22)23(20-4-2-1-3-5-20)26-12-10-25(11-13-26)14-16-28-18-19-29-17-15-27/h1-9,23,27H,10-19H2"	"VUFOCTSXHUWGPW-UHFFFAOYSA-N"	"920.0"	"3"	"4"	"FALSE"	"FALSE"
"2610"	"76-01-7"	"DTXSID7021104"	"Pentachloroethane"	"EPA_DSSTox"	"ClC(Cl)C(Cl)(Cl)Cl"	"ClC(Cl)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H"	"BNIXVQGCZULYKV-UHFFFAOYSA-N"	"920.0"	"3"	"4"	"FALSE"	"FALSE"
"2611"	"22355-34-6"	"DTXSID2073140"	"Benzoic acid dicyclohexylamine salt"	"EPA_DSSTox"	"OC(=O)C1=CC=CC=C1.C1CCC(CC1)NC1CCCCC1"	"C1CCCCC1NC1CCCCC1"	"C(C1=CC=CC=C1)(=O)O"	"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"	"925.0"	"3"	"4"	"FALSE"	"FALSE"
"2612"	"87-13-8"	"DTXSID5052591"	"Diethyl ethoxymethylenemalonate"	"EPA_DSSTox"	"CCOC=C(C(=O)OCC)C(=O)OCC"	"CCOC=C(C(=O)OCC)C(=O)OCC"	"?"	"InChI=1S/C10H16O5/c1-4-13-7-8(9(11)14-5-2)10(12)15-6-3/h7H,4-6H2,1-3H3"	"LTMHNWPUDSTBKD-UHFFFAOYSA-N"	"925.0"	"3"	"4"	"FALSE"	"FALSE"
"2613"	"1477-55-0"	"DTXSID9029649"	"1,3-Benzenedimethanamine"	"EPA_DSSTox"	"NCC1=CC(CN)=CC=C1"	"NCC1C=C(CN)C=CC=1"	"?"	"InChI=1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2"	"FDLQZKYLHJJBHD-UHFFFAOYSA-N"	"930.0"	"3"	"4"	"FALSE"	"FALSE"
"2614"	"393-75-9"	"DTXSID8024781"	"2-Chloro-1,3-dinitro-5-(trifluoromethyl)benzene"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC(=CC(=C1Cl)[N+]([O-])=O)C(F)(F)F"	"[O-][N+](=O)C1=CC(=CC(=C1Cl)[N+]([O-])=O)C(F)(F)F"	"?"	"InChI=1S/C7H2ClF3N2O4/c8-6-4(12(14)15)1-3(7(9,10)11)2-5(6)13(16)17/h1-2H"	"HFHAVERNVFNSHL-UHFFFAOYSA-N"	"930.0"	"3"	"4"	"FALSE"	"FALSE"
"2615"	"5800-19-1"	"DTXSID7020891"	"Metiapine"	"EPA_DSSTox"	"CN1CCN(CC1)C1=NC2=CC=CC=C2SC2=C1C=C(C)C=C2"	"CN1CCN(CC1)C1=NC2C=CC=CC=2SC2C=CC(C)=CC=21"	"?"	"InChI=1S/C19H21N3S/c1-14-7-8-17-15(13-14)19(22-11-9-21(2)10-12-22)20-16-5-3-4-6-18(16)23-17/h3-8,13H,9-12H2,1-2H3"	"IOEPXYJOHIZYGQ-UHFFFAOYSA-N"	"934.0"	"3"	"4"	"FALSE"	"FALSE"
"2616"	"117666-87-2"			"Public_CrossChecked"	"CCOC(=S)C=Cc1ccc2OCOc2c1"	"CCOC(=S)C=CC1C=CC2OCOC=2C=1"	"?"	"InChI=1S/C12H12O3S/c1-2-13-12(16)6-4-9-3-5-10-11(7-9)15-8-14-10/h3-7H,2,8H2,1H3"	"SQYGWABCYSWYMD-UHFFFAOYSA-N"	"940.0"	"3"	"4"	"FALSE"	"FALSE"
"2617"	"4442-79-9"	"DTXSID7063473"	"Cyclohexaneethanol"	"EPA_DSSTox"	"OCCC1CCCCC1"	"OCCC1CCCCC1"	"?"	"InChI=1S/C8H16O/c9-7-6-8-4-2-1-3-5-8/h8-9H,1-7H2"	"QJQZRLXDLORINA-UHFFFAOYSA-N"	"940.0"	"3"	"4"	"FALSE"	"FALSE"
"2618"	"637-07-0"	"DTXSID3020336"	"Clofibrate"	"EPA_DSSTox"	"CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1"	"CC(C)(OC1C=CC(Cl)=CC=1)C(=O)OCC"	"?"	"InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3"	"KNHUKKLJHYUCFP-UHFFFAOYSA-N"	"940.0"	"3"	"4"	"FALSE"	"FALSE"
"2619"	"61432-55-1"	"DTXSID5058141"	"Dimepiperate"	"EPA_DSSTox"	"CC(C)(SC(=O)N1CCCCC1)C1=CC=CC=C1"	"CC(C)(SC(=O)N1CCCCC1)C1C=CC=CC=1"	"?"	"InChI=1S/C15H21NOS/c1-15(2,13-9-5-3-6-10-13)18-14(17)16-11-7-4-8-12-16/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3"	"BWUPSGJXXPATLU-UHFFFAOYSA-N"	"946.0"	"3"	"4"	"FALSE"	"FALSE"
"2620"	"109543-53-5"	"DTXSID60148977"	"Thiazolo(4,5-c)quinoline, 2-methyl-, monoethanesulfonate"	"EPA_DSSTox"	"CCS(O)(=O)=O.CC1=NC2=C(S1)C1=CC=CC=C1N=C2"	"CC1=NC2C=NC3C=CC=CC=3C=2S1"	"S(O)(=O)(=O)CC"	"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"	"950.0"	"3"	"4"	"FALSE"	"FALSE"
"2621"	"642-72-8"	"DTXSID7047859"	"Benzydamine"	"EPA_DSSTox"	"CN(C)CCCOC1=NN(CC2=CC=CC=C2)C2=C1C=CC=C2"	"CN(C)CCCOC1=NN(CC2C=CC=CC=2)C2C=CC=CC=21"	"?"	"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"	"950.0"	"3"	"4"	"FALSE"	"FALSE"
"2622"	"6004-98-4"			"Public_CrossChecked"	"C[N+]1(C)CCN(CC(O)(C2CCCCC2)c2ccccc2)CC1"	"C[N+]1(C)CCN(CC(O)(C2CCCCC2)C2C=CC=CC=2)CC1"	"?"	"InChI=1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1"	"ZRYHPQCHHOKSMD-UHFFFAOYSA-N"	"958.0"	"3"	"4"	"FALSE"	"FALSE"
"2623"	"3581-91-7"	"DTXSID40189348"	"4,5-Dimethylthiazole"	"EPA_DSSTox"	"CC1=C(C)N=CS1"	"CC1SC=NC=1C"	"?"	"InChI=1S/C5H7NS/c1-4-5(2)7-3-6-4/h3H,1-2H3"	"UWSONZCNXUSTKW-UHFFFAOYSA-N"	"960.0"	"3"	"4"	"FALSE"	"FALSE"
"2624"	"2752-17-2"	"DTXSID7041914"	"2,2'-Oxybis(ethylamine)"	"EPA_DSSTox"	"NCCOCCN"	"NCCOCCN"	"?"	"InChI=1S/C4H12N2O/c5-1-3-7-4-2-6/h1-6H2"	"GXVUZYLYWKWJIM-UHFFFAOYSA-N"	"961.0"	"3"	"4"	"FALSE"	"FALSE"
"2625"	"117666-85-0"			"Public_CrossChecked"	"CCCOc1cc(C=CC(=S)OCC)ccc1OC"	"COC1C=CC(C=CC(=S)OCC)=CC=1OCCC"	"?"	"InChI=1S/C15H20O3S/c1-4-10-18-14-11-12(6-8-13(14)16-3)7-9-15(19)17-5-2/h6-9,11H,4-5,10H2,1-3H3"	"VFRJDRWMWFPRRY-UHFFFAOYSA-N"	"970.0"	"3"	"4"	"FALSE"	"FALSE"
"2626"	"69579-13-1"			"Public_CrossChecked"	"CC(CC(=O)OC(C)(C)C)=NNC1=NN=C(C=C1)N1CCOCC1"	"CC(CC(=O)OC(C)(C)C)N=NC1=CC=C(N=N1)N1CCOCC1"	"?"	"InChI=1S/C16H25N5O3/c1-12(11-15(22)24-16(2,3)4)17-18-13-5-6-14(20-19-13)21-7-9-23-10-8-21/h5-6,12H,7-11H2,1-4H3"	"PQVYAEYQHUVFQC-UHFFFAOYSA-N"	"970.0"	"3"	"4"	"FALSE"	"FALSE"
"2627"	"117666-90-7"			"Public_CrossChecked"	"CCCOc1ccc(C=CC(=O)OCC)cc1OC"	"COC1C=C(C=CC=1OCCC)C=CC(=O)OCC"	"?"	"InChI=1S/C15H20O4/c1-4-10-19-13-8-6-12(11-14(13)17-3)7-9-15(16)18-5-2/h6-9,11H,4-5,10H2,1-3H3"	"QLNZAEKAGOCIKD-UHFFFAOYSA-N"	"978.0"	"3"	"4"	"FALSE"	"FALSE"
"2628"	"23255-93-8"	"DTXSID4025408"	"Hycanthone methanesulfonate"	"EPA_DSSTox"	"CS([O-])(=O)=O.CC[NH+](CC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(CO)C=C1"	"CCN(CCNC1C=CC(CO)=C2SC3C=CC=CC=3C(=O)C=12)CC"	"CS(=O)([O-])=O"	"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"	"980.0"	"3"	"4"	"FALSE"	"FALSE"
"2629"	"52712-76-2"	"DTXSID7048588"	"Bunazosin hydrochloride"	"EPA_DSSTox"	"Cl.CCCC(=O)N1CCCN(CC1)C1=NC2=C(C=C(OC)C(OC)=C2)C(N)=N1"	"CCCC(=O)N1CCCN(CC1)C1=NC2C=C(OC)C(=CC=2C(N)=N1)OC"	"Cl"	"InChI=1S/C19H27N5O3/c1-4-6-17(25)23-7-5-8-24(10-9-23)19-21-14-12-16(27-3)15(26-2)11-13(14)18(20)22-19/h11-12H,4-10H2,1-3H3,(H2,20,21,22)"	"RHLJLALHBZGAFM-UHFFFAOYSA-N"	"980.0"	"3"	"4"	"FALSE"	"FALSE"
"2630"	"101903-30-4"	"DTXSID4057920"	"Pefurazoate"	"EPA_DSSTox"	"CCC(N(CC1=CC=CO1)C(=O)N1C=CN=C1)C(=O)OCCCC=C"	"CCC(C(=O)OCCCC=C)N(CC1=CC=CO1)C(=O)N1C=NC=C1"	"?"	"InChI=1S/C18H23N3O4/c1-3-5-6-11-25-17(22)16(4-2)21(13-15-8-7-12-24-15)18(23)20-10-9-19-14-20/h3,7-10,12,14,16H,1,4-6,11,13H2,2H3"	"WBTYBAGIHOISOQ-UHFFFAOYSA-N"	"981.0"	"3"	"4"	"FALSE"	"FALSE"
"2631"	"115-46-8"	"DTXSID2045280"	"Azacyclonol"	"EPA_DSSTox"	"OC(C1CCNCC1)(C1=CC=CC=C1)C1=CC=CC=C1"	"OC(C1CCNCC1)(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"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"	"984.0"	"3"	"4"	"FALSE"	"FALSE"
"2632"	"99-88-7"	"DTXSID20243932"	"Cumidine"	"EPA_DSSTox"	"CC(C)C1=CC=C(N)C=C1"	"CC(C)C1C=CC(N)=CC=1"	"?"	"InChI=1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3"	"LRTFPLFDLJYEKT-UHFFFAOYSA-N"	"985.0"	"3"	"4"	"FALSE"	"FALSE"
"2633"	"24632-47-1"	"DTXSID40179380"	"Nifurpipone"	"EPA_DSSTox"	"CN1CCN(CC(=O)N\N=C\C2=CC=C(O2)[N+]([O-])=O)CC1"	"CN1CCN(CC(=O)NN=CC2=CC=C(O2)[N+]([O-])=O)CC1"	"?"	"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"	"990.0"	"3"	"4"	"FALSE"	"FALSE"
"2634"	"98-10-2"	"DTXSID1059159"	"Benzenesulfonamide"	"EPA_DSSTox"	"NS(=O)(=O)C1=CC=CC=C1"	"NS(=O)(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)"	"KHBQMWCZKVMBLN-UHFFFAOYSA-N"	"991.0"	"3"	"4"	"FALSE"	"FALSE"
"2635"	"97-52-9"	"DTXSID0038700"	"2-Methoxy-4-nitroaniline"	"EPA_DSSTox"	"COC1=CC(=CC=C1N)[N+]([O-])=O"	"COC1=CC(=CC=C1N)[N+]([O-])=O"	"?"	"InChI=1S/C7H8N2O3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,8H2,1H3"	"GVBHRNIWBGTNQA-UHFFFAOYSA-N"	"997.0"	"3"	"4"	"FALSE"	"FALSE"
"2636"	"10078-25-8"			"Public_CrossChecked"	"OCCN1CCN(CCCN2c3ccccc3S(=O)c3ccc(Cl)cc23)CC1"	"OCCN1CCN(CCCN2C3C=CC=CC=3S(=O)C3C=CC(Cl)=CC2=3)CC1"	"?"	"InChI=1S/C21H26ClN3O2S/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)28(21)27)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2"	"WXJXTMQMAOYROI-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2637"	"108287-79-2"	"DTXSID1073781"	"Pyridazine, 3,6-dichloro-4-(2-chloro-1,1-dimethylethyl)-"	"EPA_DSSTox"	"CC(C)(CCl)C1=C(Cl)N=NC(Cl)=C1"	"CC(C)(CCl)C1C=C(Cl)N=NC=1Cl"	"?"	"InChI=1S/C8H9Cl3N2/c1-8(2,4-9)5-3-6(10)12-13-7(5)11/h3H,4H2,1-2H3"	"RAQXMXAKHJIKEE-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2638"	"115-31-1"	"DTXSID4040266"	"Thanite"	"EPA_DSSTox"	"CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)OC(=O)CSC#N"	"CC1(C)C2CC(OC(=O)CSC#N)C1(C)CC2"	"?"	"InChI=1S/C13H19NO2S/c1-12(2)9-4-5-13(12,3)10(6-9)16-11(15)7-17-8-14/h9-10H,4-7H2,1-3H3"	"IXEVGHXRXDBAOB-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2639"	"128-04-1"	"DTXSID6027050"	"Sodium dimethyldithiocarbamate"	"EPA_DSSTox"	"[Na+].CN(C)C([S-])=S"	"CN(C)C(S)=S"	"[Na+]"	"InChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6)"	"MZGNSEAPZQGJRB-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2640"	"14214-32-5"	"DTXSID9041863"	"Difenoxuron"	"EPA_DSSTox"	"COC1=CC=C(OC2=CC=C(NC(=O)N(C)C)C=C2)C=C1"	"COC1C=CC(=CC=1)OC1C=CC(=CC=1)NC(=O)N(C)C"	"?"	"InChI=1S/C16H18N2O3/c1-18(2)16(19)17-12-4-6-14(7-5-12)21-15-10-8-13(20-3)9-11-15/h4-11H,1-3H3,(H,17,19)"	"AMVYOVYGIJXTQB-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2641"	"15433-03-1"	"DTXSID30165590"	"1H-Indene-1,3(2H)-dione, 2-(2,4,6-trimethylphenyl)-"	"EPA_DSSTox"	"CC1=CC(C)=C(C2C(=O)C3=CC=CC=C3C2=O)C(C)=C1"	"CC1C=C(C)C=C(C)C=1C1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C18H16O2/c1-10-8-11(2)15(12(3)9-10)16-17(19)13-6-4-5-7-14(13)18(16)20/h4-9,16H,1-3H3"	"YETKCQKJSSIDGC-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2642"	"15911-16-7"	"DTXSID30166587"	"Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-"	"EPA_DSSTox"	"CC1=C2C(=NO1)C(=O)NN=C2C"	"CC1ON=C2C(=O)NN=C(C)C=12"	"?"	"InChI=1S/C7H7N3O2/c1-3-5-4(2)12-10-6(5)7(11)9-8-3/h1-2H3,(H,9,11)"	"DINKYECDKUZHJM-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2643"	"17788-11-3"	"DTXSID20170390"	"Carbamic acid, methyl-, ester with 3'-hydroxypropionanilide"	"EPA_DSSTox"	"CCC(=O)NC1=CC(OC(=O)NC)=CC=C1"	"CNC(=O)OC1=CC(=CC=C1)NC(=O)CC"	"?"	"InChI=1S/C11H14N2O3/c1-3-10(14)13-8-5-4-6-9(7-8)16-11(15)12-2/h4-7H,3H2,1-2H3,(H,12,15)(H,13,14)"	"NMYKXXMNAUVYBV-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2644"	"19932-85-5"	"DTXSID70173710"	"2-Benzoxazolinone, 6-bromo-"	"EPA_DSSTox"	"BrC1=CC2=C(NC(=O)O2)C=C1"	"O=C1NC2C=CC(Br)=CC=2O1"	"?"	"InChI=1S/C7H4BrNO2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)"	"DDNKJFBQMQOIKI-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2645"	"2313-91-9"			"Public_CrossChecked"	"CN(C(C)=O)C(=O)Oc1cccc(c1)C(C)(C)C"	"CC(=O)N(C)C(=O)OC1=CC(=CC=C1)C(C)(C)C"	"?"	"InChI=1S/C14H19NO3/c1-10(16)15(5)13(17)18-12-8-6-7-11(9-12)14(2,3)4/h6-9H,1-5H3"	"SURJMTNWHVPQHM-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2646"	"24853-80-3"	"DTXSID10179554"	"Azaphen"	"EPA_DSSTox"	"Cl.Cl.CN1CCN(CC1)C1=NN=C2OC3=CC=CC=C3N(C)C2=C1"	"CN1CCN(CC1)C1C=C2C(=NN=1)OC1C=CC=CC=1N2C"	"Cl.Cl"	"InChI=1S/C16H19N5O/c1-19-7-9-21(10-8-19)15-11-13-16(18-17-15)22-14-6-4-3-5-12(14)20(13)2/h3-6,11H,7-10H2,1-2H3"	"SDYYIRPAZHJOLM-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2647"	"25506-00-7"	"DTXSID80180197"	"Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,6-dimethyl-4-phenyl-"	"EPA_DSSTox"	"CN1N=C(C2=C(C)ON=C2C1=O)C1=CC=CC=C1"	"CC1ON=C2C=1C(=NN(C)C2=O)C1C=CC=CC=1"	"?"	"InChI=1S/C13H11N3O2/c1-8-10-11(9-6-4-3-5-7-9)14-16(2)13(17)12(10)15-18-8/h3-7H,1-2H3"	"XJXJGEAQOLTDAY-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2648"	"2652-77-9"	"DTXSID60877699"	"2,5-PYRAZOLIDINDIONE,1,2-DIPHENYL"	"EPA_DSSTox"	"O=C1CC(=O)N(N1C1=CC=CC=C1)C1=CC=CC=C1"	"O=C1CC(=O)N(C2C=CC=CC=2)N1C1C=CC=CC=1"	"?"	"InChI=1S/C15H12N2O2/c18-14-11-15(19)17(13-9-5-2-6-10-13)16(14)12-7-3-1-4-8-12/h1-10H,11H2"	"XDPKQGKEOCYMQC-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2649"	"29560-58-5"	"DTXSID1047786"	"Moricizine hydrochloride"	"EPA_DSSTox"	"Cl.CCOC(=O)NC1=CC2=C(SC3=C(C=CC=C3)N2C(=O)CCN2CCOCC2)C=C1"	"CCOC(=O)NC1C=CC2SC3C=CC=CC=3N(C=2C=1)C(=O)CCN1CCOCC1"	"Cl"	"InChI=1S/C22H25N3O4S/c1-2-29-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)30-20)21(26)9-10-24-11-13-28-14-12-24/h3-8,15H,2,9-14H2,1H3,(H,23,27)"	"FUBVWMNBEHXPSU-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2650"	"33236-18-9"			"Public_CrossChecked"	"CCOC(C1=NCC(C)N1)c1ccccc1"	"CC1CN=C(N1)C(OCC)C1C=CC=CC=1"	"?"	"InChI=1S/C13H18N2O/c1-3-16-12(11-7-5-4-6-8-11)13-14-9-10(2)15-13/h4-8,10,12H,3,9H2,1-2H3,(H,14,15)"	"QQBOGZMGQOAYOZ-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2651"	"3547-04-4"	"DTXSID1063069"	"Benzene, 1,1'-ethylidenebis(4-chloro-"	"EPA_DSSTox"	"CC(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1"	"CC(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C14H12Cl2/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12/h2-10H,1H3"	"KTEARTXATWOYDB-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2652"	"3724-65-0"	"DTXSID7027544"	"2-Butenoic acid"	"EPA_DSSTox"	"CC=CC(O)=O"	"CC=CC(O)=O"	"?"	"InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)"	"LDHQCZJRKDOVOX-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2653"	"4362-44-1"			"Public_CrossChecked"	"ClCC1COC(O1)C(Cl)(Cl)Cl"	"ClCC1COC(O1)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C5H6Cl4O2/c6-1-3-2-10-4(11-3)5(7,8)9/h3-4H,1-2H2"	"DADNQTMXKHQSRJ-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2654"	"4935-70-0"	"DTXSID30197775"	"Morazine"	"EPA_DSSTox"	"C(CN1CCOCC1)CN1C2=CC=CC=C2SC2=CC=CC=C12"	"C(CCN1C2C=CC=CC=2SC2C=CC=CC1=2)N1CCOCC1"	"?"	"InChI=1S/C19H22N2OS/c1-3-8-18-16(6-1)21(17-7-2-4-9-19(17)23-18)11-5-10-20-12-14-22-15-13-20/h1-4,6-9H,5,10-15H2"	"UALCBDFAIRGZSF-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2655"	"52963-62-9"			"Public_CrossChecked"	"COc1ccc(cc1F)C(Oc1ccccc1)C1=NCCCN1"	"COC1C=CC(=CC=1F)C(OC1C=CC=CC=1)C1NCCCN=1"	"?"	"InChI=1S/C18H19FN2O2/c1-22-16-9-8-13(12-15(16)19)17(18-20-10-5-11-21-18)23-14-6-3-2-4-7-14/h2-4,6-9,12,17H,5,10-11H2,1H3,(H,20,21)"	"RPGDLEXGKWFLOV-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2656"	"56235-95-1"			"Public_CrossChecked"	"CCON(CC)N=O"	"CCN(N=O)OCC"	"?"	"InChI=1S/C4H10N2O2/c1-3-6(5-7)8-4-2/h3-4H2,1-2H3"	"QNOLKZYYKHPKJQ-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2657"	"5826-73-3"	"DTXSID8041876"	"Dimethyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate"	"EPA_DSSTox"	"COC(=O)C1C2CC(C=C2)C1C(=O)OC"	"COC(=O)C1C2CC(C=C2)C1C(=O)OC"	"?"	"InChI=1S/C11H14O4/c1-14-10(12)8-6-3-4-7(5-6)9(8)11(13)15-2/h3-4,6-9H,5H2,1-2H3"	"VGQLNJWOULYVFV-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2658"	"61738-03-2"			"Public_CrossChecked"	"CCN(N=O)C(C)OC"	"CCN(N=O)C(C)OC"	"?"	"InChI=1S/C5H12N2O2/c1-4-7(6-8)5(2)9-3/h5H,4H2,1-3H3"	"DCUKVUVLSDGDEZ-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2659"	"64037-07-6"	"DTXSID00214029"	"Benzoxazole, 2-amino-5-bromo-"	"EPA_DSSTox"	"NC1=NC2=C(O1)C=CC(Br)=C2"	"NC1=NC2C=C(Br)C=CC=2O1"	"?"	"InChI=1S/C7H5BrN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)"	"HMRSJGDFTOUVBW-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2660"	"64037-24-7"	"DTXSID60214045"	"Benzoxazole, 5-chloro-2-methylamino-"	"EPA_DSSTox"	"CNC1=NC2=C(O1)C=CC(Cl)=C2"	"CNC1=NC2C=C(Cl)C=CC=2O1"	"?"	"InChI=1S/C8H7ClN2O/c1-10-8-11-6-4-5(9)2-3-7(6)12-8/h2-4H,1H3,(H,10,11)"	"JCDFYLCJMXKBNO-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2661"	"66422-95-5"	"DTXSID3070462"	"Ethanol, 2-(2,4-diaminophenoxy)-, hydrochloride (1:2)"	"EPA_DSSTox"	"Cl.Cl.NC1=CC(N)=C(OCCO)C=C1"	"NC1=CC(N)=C(C=C1)OCCO"	"Cl.Cl"	"InChI=1S/C8H12N2O2/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5,11H,3-4,9-10H2"	"WCPGNFONICRLCL-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2662"	"69002-86-4"	"DTXSID70219061"	"4',5-Dihydroxydiclofenac"	"EPA_DSSTox"	"OC(=O)CC1=C(NC2=C(Cl)C=C(O)C=C2Cl)C=CC(O)=C1"	"OC1C=C(CC(O)=O)C(=CC=1)NC1C(Cl)=CC(O)=CC=1Cl"	"?"	"InChI=1S/C14H11Cl2NO4/c15-10-5-9(19)6-11(16)14(10)17-12-2-1-8(18)3-7(12)4-13(20)21/h1-3,5-6,17-19H,4H2,(H,20,21)"	"DRZFITWJHHNHAD-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2663"	"731-27-1"	"DTXSID8042478"	"Tolylfluanid"	"EPA_DSSTox"	"CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)C1=CC=C(C)C=C1"	"CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)C1C=CC(C)=CC=1"	"?"	"InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3"	"HYVWIQDYBVKITD-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2664"	"75-85-4"	"DTXSID0041436"	"2-Methyl-2-butanol"	"EPA_DSSTox"	"CCC(C)(C)O"	"CCC(C)(C)O"	"?"	"InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3"	"MSXVEPNJUHWQHW-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2665"	"83-44-3"	"DTXSID0042662"	"Deoxycholic acid"	"EPA_DSSTox"	"C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"	"CC(CCC(O)=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C21C"	"?"	"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"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2666"	"87344-19-2"	"DTXSID30236294"	"Piperazine, 1-methyl-4-((1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)acetyl)-"	"EPA_DSSTox"	"CN1C(CC(=O)N2CCN(C)CC2)=CC=C1C(=O)C1=CC=C(C)C=C1"	"CC1C=CC(=CC=1)C(=O)C1=CC=C(CC(=O)N2CCN(C)CC2)N1C"	"?"	"InChI=1S/C20H25N3O2/c1-15-4-6-16(7-5-15)20(25)18-9-8-17(22(18)3)14-19(24)23-12-10-21(2)11-13-23/h4-9H,10-14H2,1-3H3"	"BMEDLKNPIHMCSO-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2667"	"946578-00-3"	"DTXSID0074687"	"Cyanamide, N-[methyloxido[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-?4-sulfanylidene]-"	"EPA_DSSTox"	"CC(C1=CC=C(N=C1)C(F)(F)F)S(C)(=O)=NC#N"	"CC(C1C=NC(=CC=1)C(F)(F)F)S(C)(=O)=NC#N"	"?"	"InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3"	"ZVQOOHYFBIDMTQ-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"2668"	"56839-43-1"	"DTXSID8047844"	"Eperisone hydrochloride"	"EPA_DSSTox"	"Cl.CCC1=CC=C(C=C1)C(=O)C(C)CN1CCCCC1"	"CCC1=CC=C(C=C1)C(=O)C(C)CN1CCCCC1"	"Cl"	"InChI=1S/C17H25NO/c1-3-15-7-9-16(10-8-15)17(19)14(2)13-18-11-5-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3"	"SQUNAWUMZGQQJD-UHFFFAOYSA-N"	"1002.0"	"3"	"4"	"FALSE"	"FALSE"
"2669"	"288-13-1"	"DTXSID2059774"	"Pyrazole"	"EPA_DSSTox"	"N1C=CC=N1"	"C1=CC=NN1"	"?"	"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)"	"WTKZEGDFNFYCGP-UHFFFAOYSA-N"	"1010.0"	"3"	"4"	"FALSE"	"FALSE"
"2670"	"6145-73-9"	"DTXSID3027615"	"Tris(2-chloropropyl) phosphate"	"EPA_DSSTox"	"CC(Cl)COP(=O)(OCC(C)Cl)OCC(C)Cl"	"CC(Cl)COP(=O)(OCC(C)Cl)OCC(C)Cl"	"?"	"InChI=1S/C9H18Cl3O4P/c1-7(10)4-14-17(13,15-5-8(2)11)16-6-9(3)12/h7-9H,4-6H2,1-3H3"	"GTRSAMFYSUBAGN-UHFFFAOYSA-N"	"1017.0"	"3"	"4"	"FALSE"	"FALSE"
"2671"	"16111-62-9"	"DTXSID5027778"	"Peroxydicarbonic acid, bis(2-ethylhexyl) ester"	"EPA_DSSTox"	"CCCCC(CC)COC(=O)OOC(=O)OCC(CC)CCCC"	"CCCCC(COC(=O)OOC(=O)OCC(CCCC)CC)CC"	"?"	"InChI=1S/C18H34O6/c1-5-9-11-15(7-3)13-21-17(19)23-24-18(20)22-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3"	"ZACVGCNKGYYQHA-UHFFFAOYSA-N"	"1020.0"	"3"	"4"	"FALSE"	"FALSE"
"2672"	"65442-31-1"	"DTXSID4052340"	"6-(Butan-2-yl)quinoline"	"EPA_DSSTox"	"CCC(C)C1=CC=C2N=CC=CC2=C1"	"CCC(C)C1C=C2C=CC=NC2=CC=1"	"?"	"InChI=1S/C13H15N/c1-3-10(2)11-6-7-13-12(9-11)5-4-8-14-13/h4-10H,3H2,1-2H3"	"AUBLFWWZTFFBNU-UHFFFAOYSA-N"	"1020.0"	"3"	"4"	"FALSE"	"FALSE"
"2673"	"5942-95-0"	"DTXSID40208149"	"Carpipramine"	"EPA_DSSTox"	"NC(=O)C1(CCN(CCCN2C3=CC=CC=C3CCC3=CC=CC=C23)CC1)N1CCCCC1"	"NC(=O)C1(CCN(CCCN2C3C=CC=CC=3CCC3C=CC=CC2=3)CC1)N1CCCCC1"	"?"	"InChI=1S/C28H38N4O/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33)"	"NWPJLRSCSQHPJV-UHFFFAOYSA-N"	"1025.0"	"3"	"4"	"FALSE"	"FALSE"
"2674"	"102-70-5"	"DTXSID5026174"	"Triallylamine"	"EPA_DSSTox"	"C=CCN(CC=C)CC=C"	"C=CCN(CC=C)CC=C"	"?"	"InChI=1S/C9H15N/c1-4-7-10(8-5-2)9-6-3/h4-6H,1-3,7-9H2"	"VPYJNCGUESNPMV-UHFFFAOYSA-N"	"1030.0"	"3"	"4"	"FALSE"	"FALSE"
"2675"	"149690-78-8"	"DTXSID50164363"	"D 19050"	"EPA_DSSTox"	"Cl.NC1=C(NC(=O)OCC=C)C=CC(NCC2=CC=C(F)C=C2)=N1"	"C=CCOC(=O)NC1C=CC(NCC2C=CC(F)=CC=2)=NC=1N"	"Cl"	"InChI=1S/C16H17FN4O2/c1-2-9-23-16(22)20-13-7-8-14(21-15(13)18)19-10-11-3-5-12(17)6-4-11/h2-8H,1,9-10H2,(H,20,22)(H3,18,19,21)"	"LOCNFJOGRCMIIO-UHFFFAOYSA-N"	"1030.0"	"3"	"4"	"FALSE"	"FALSE"
"2676"	"56578-34-8"	"DTXSID60205130"	"2-Butanone, 4-(1,1'-biphenyl)-4-yl)-"	"EPA_DSSTox"	"CC(=O)CCC1=CC=C(C=C1)C1=CC=CC=C1"	"CC(=O)CCC1C=CC(=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C16H16O/c1-13(17)7-8-14-9-11-16(12-10-14)15-5-3-2-4-6-15/h2-6,9-12H,7-8H2,1H3"	"NVIAWOHXGFMHCC-UHFFFAOYSA-N"	"1030.0"	"3"	"4"	"FALSE"	"FALSE"
"2677"	"51492-90-1"	"DTXSID90199477"	"5-Thiazolecarboxamide, N,N-dimethyl-4-phenyl-2-(3-pyridinyl)-, monohydrochloride"	"EPA_DSSTox"	"Cl.CN(C)C(=O)C1=C(N=C(S1)C1=CN=CC=C1)C1=CC=CC=C1"	"CN(C)C(=O)C1SC(=NC=1C1C=CC=CC=1)C1C=NC=CC=1"	"Cl"	"InChI=1S/C17H15N3OS/c1-20(2)17(21)15-14(12-7-4-3-5-8-12)19-16(22-15)13-9-6-10-18-11-13/h3-11H,1-2H3"	"KJAHXHRALOUIDJ-UHFFFAOYSA-N"	"1035.0"	"3"	"4"	"FALSE"	"FALSE"
"2678"	"1223-36-5"	"DTXSID6046424"	"Clofexamide"	"EPA_DSSTox"	"CCN(CC)CCNC(=O)COC1=CC=C(Cl)C=C1"	"CCN(CCNC(=O)COC1C=CC(Cl)=CC=1)CC"	"?"	"InChI=1S/C14H21ClN2O2/c1-3-17(4-2)10-9-16-14(18)11-19-13-7-5-12(15)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)"	"UORGKWWJEQDTGX-UHFFFAOYSA-N"	"1040.0"	"3"	"4"	"FALSE"	"FALSE"
"2679"	"3717-88-2"	"DTXSID1047784"	"Flavoxate hydrochloride"	"EPA_DSSTox"	"Cl.CC1=C(OC2=C(C=CC=C2C(=O)OCCN2CCCCC2)C1=O)C1=CC=CC=C1"	"CC1=C(OC2=C(C=CC=C2C(=O)OCCN2CCCCC2)C1=O)C1C=CC=CC=1"	"Cl"	"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"	"1040.0"	"3"	"4"	"FALSE"	"FALSE"
"2680"	"629-31-2"	"DTXSID9060869"	"Heptanal, oxime"	"EPA_DSSTox"	"CCCCCCC=NO"	"CCCCCCCN=O"	"?"	"InChI=1S/C7H15NO/c1-2-3-4-5-6-7-8-9/h2-7H2,1H3"	"DMJBDVZMPKTLON-UHFFFAOYSA-N"	"1045.0"	"3"	"4"	"FALSE"	"FALSE"
"2681"	"6152-33-6"	"DTXSID1040794"	"Sodium 2-phenylphenate tetrahydrate"	"EPA_DSSTox"	"O.O.O.O.[Na+].[O-]C1=C(C=CC=C1)C1=CC=CC=C1"	"OC1=CC=CC=C1C1C=CC=CC=1"	"[Na+].O.O.O"	"InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H"	"LLEMOWNGBBNAJR-UHFFFAOYSA-N"	"1049.0"	"3"	"4"	"FALSE"	"FALSE"
"2682"	"24049-18-1"	"DTXSID20178795"	"Alclofenac sodium"	"EPA_DSSTox"	"[Na+].[O-]C(=O)CC1=CC(Cl)=C(OCC=C)C=C1"	"C=CCOC1C=CC(CC(O)=O)=CC=1Cl"	"[Na+]"	"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"	"1050.0"	"3"	"4"	"FALSE"	"FALSE"
"2683"	"2870-71-5"	"DTXSID2045103"	"Atropine methylbromide"	"EPA_DSSTox"	"[Br-].C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1"	"C[N+]1(C)C2CC(CC1CC2)OC(=O)C(CO)C1C=CC=CC=1"	"[Br-]"	"InChI=1S/C18H26NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13/h3-7,14-17,20H,8-12H2,1-2H3/q+1"	"PIPAJLPNWZMYQA-UHFFFAOYSA-N"	"1050.0"	"3"	"4"	"FALSE"	"FALSE"
"2684"	"533-06-2"			"Public_CrossChecked"	"Cc1ccccc1OCC(O)COC(N)=O"	"CC1C=CC=CC=1OCC(O)COC(N)=O"	"?"	"InChI=1S/C11H15NO4/c1-8-4-2-3-5-10(8)15-6-9(13)7-16-11(12)14/h2-5,9,13H,6-7H2,1H3,(H2,12,14)"	"KRPAJLYSLFNDOA-UHFFFAOYSA-N"	"1050.0"	"3"	"4"	"FALSE"	"FALSE"
"2685"	"72509-76-3"	"DTXSID4023042"	"Felodipine"	"EPA_DSSTox"	"CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(Cl)=C1Cl)C(=O)OC"	"COC(=O)C1C(C(C(=O)OCC)=C(C)NC=1C)C1=CC=CC(Cl)=C1Cl"	"?"	"InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3"	"RZTAMFZIAATZDJ-UHFFFAOYSA-N"	"1050.0"	"3"	"4"	"FALSE"	"FALSE"
"2686"	"1432-14-0"	"DTXSID4058310"	"MCPP, diethanoline salt"	"EPA_DSSTox"	"OCCNCCO.CC(OC1=C(C)C=C(Cl)C=C1)C(O)=O"	"CC1C=C(Cl)C=CC=1OC(C)C(O)=O"	"N(CCO)CCO"	"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"	"1060.0"	"3"	"4"	"FALSE"	"FALSE"
"2687"	"623-87-0"			"Public_CrossChecked"	"OC(CO[N+]([O-])=O)CO[N+]([O-])=O"	"[O-][N+](=O)OCC(O)CO[N+]([O-])=O"	"?"	"InChI=1S/C3H6N2O7/c6-3(1-11-4(7)8)2-12-5(9)10/h3,6H,1-2H2"	"ASIGVDLTBLZXNC-UHFFFAOYSA-N"	"1065.0"	"3"	"4"	"FALSE"	"FALSE"
"2688"	"1606-67-3"	"DTXSID3040932"	"1-Aminopyrene"	"EPA_DSSTox"	"NC1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34"	"NC1C=CC2C=CC3C=CC=C4C=CC=1C=2C=34"	"?"	"InChI=1S/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2"	"YZVWKHVRBDQPMQ-UHFFFAOYSA-N"	"1070.0"	"3"	"4"	"FALSE"	"FALSE"
"2689"	"506-59-2"	"DTXSID8027163"	"N-Methylmethanamine hydrochloride"	"EPA_DSSTox"	"Cl.CNC"	"CNC"	"Cl"	"InChI=1S/C2H7N/c1-3-2/h3H,1-2H3"	"ROSDSFDQCJNGOL-UHFFFAOYSA-N"	"1070.0"	"3"	"4"	"FALSE"	"FALSE"
"2690"	"64011-53-6"			"Public_CrossChecked"	"OCC(O)C1CCC=CC1"	"OC(CO)C1CC=CCC1"	"?"	"InChI=1S/C8H14O2/c9-6-8(10)7-4-2-1-3-5-7/h1-2,7-10H,3-6H2"	"NPZGQIIAVOOHNM-UHFFFAOYSA-N"	"1070.0"	"3"	"4"	"FALSE"	"FALSE"
"2691"	"57227-16-4"			"Public_CrossChecked"	"Cl.CCCN(CCC)C(=O)C(Cc1ccc(OCCN(CC)CC)cc1)NC(=O)c1ccccc1"	"CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCN(CC)CC)NC(=O)C1C=CC=CC=1"	"Cl"	"InChI=1S/C28H41N3O3/c1-5-18-31(19-6-2)28(33)26(29-27(32)24-12-10-9-11-13-24)22-23-14-16-25(17-15-23)34-21-20-30(7-3)8-4/h9-17,26H,5-8,18-22H2,1-4H3,(H,29,32)"	"FDBWMYOFXWMGEY-UHFFFAOYSA-N"	"1074.0"	"3"	"4"	"FALSE"	"FALSE"
"2692"	"26964-71-6"	"DTXSID80181462"	"Fenaperone hydrochloride"	"EPA_DSSTox"	"Cl.FC1=CC=C(C=C1)C(=O)CCCN1CCN(CC1)C(=O)OC1CCCCC1"	"O=C(CCCN1CCN(CC1)C(=O)OC1CCCCC1)C1C=CC(F)=CC=1"	"Cl"	"InChI=1S/C21H29FN2O3/c22-18-10-8-17(9-11-18)20(25)7-4-12-23-13-15-24(16-14-23)21(26)27-19-5-2-1-3-6-19/h8-11,19H,1-7,12-16H2"	"OCHNIEZVJROLLV-UHFFFAOYSA-N"	"1080.0"	"3"	"4"	"FALSE"	"FALSE"
"2693"	"4502-14-1"			"Public_CrossChecked"	"Cl.NCC(O)c1ccc(O)cc1"	"NCC(O)C1=CC=C(O)C=C1"	"Cl"	"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"	"1090.0"	"3"	"4"	"FALSE"	"FALSE"
"2694"	"4164-28-7"	"DTXSID6020519"	"Dimethylnitramine"	"EPA_DSSTox"	"CN(C)[N+]([O-])=O"	"CN(C)[N+]([O-])=O"	"?"	"InChI=1S/C2H6N2O2/c1-3(2)4(5)6/h1-2H3"	"XRWKADIRZXTTLH-UHFFFAOYSA-N"	"1095.0"	"3"	"4"	"FALSE"	"FALSE"
"2695"	"141-18-4"	"DTXSID2051712"	"Bis(2-butoxyethyl) adipate"	"EPA_DSSTox"	"CCCCOCCOC(=O)CCCCC(=O)OCCOCCCC"	"CCCCOCCOC(=O)CCCCC(=O)OCCOCCCC"	"?"	"InChI=1S/C18H34O6/c1-3-5-11-21-13-15-23-17(19)9-7-8-10-18(20)24-16-14-22-12-6-4-2/h3-16H2,1-2H3"	"IHTSDBYPAZEUOP-UHFFFAOYSA-N"	"1098.0"	"3"	"4"	"FALSE"	"FALSE"
"2696"	"16339-04-1"	"DTXSID10167572"	"Diethylamine, 1-methyl-N-nitroso-"	"EPA_DSSTox"	"CCN(N=O)C(C)C"	"CCN(N=O)C(C)C"	"?"	"InChI=1S/C5H12N2O/c1-4-7(6-8)5(2)3/h5H,4H2,1-3H3"	"VGGZTNNNXAUZLB-UHFFFAOYSA-N"	"1100.0"	"3"	"4"	"FALSE"	"FALSE"
"2697"	"26130-15-4"			"Public_CrossChecked"	"C(Oc1ccco1)C1CO1"	"C(OC1=CC=CO1)C1CO1"	"?"	"InChI=1S/C7H8O3/c1-2-7(8-3-1)10-5-6-4-9-6/h1-3,6H,4-5H2"	"RNMHNKUEFKIYQW-UHFFFAOYSA-N"	"1100.0"	"3"	"4"	"FALSE"	"FALSE"
"2698"	"53902-12-8"	"DTXSID7023693"	"Tranilast"	"EPA_DSSTox"	"COC1=CC=C(\C=C\C(=O)NC2=C(C=CC=C2)C(O)=O)C=C1OC"	"COC1=CC(C=CC(=O)NC2C=CC=CC=2C(O)=O)=CC=C1OC"	"?"	"InChI=1S/C18H17NO5/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)"	"NZHGWWWHIYHZNX-UHFFFAOYSA-N"	"1100.0"	"3"	"4"	"FALSE"	"FALSE"
"2699"	"60-99-1"	"DTXSID1023289"	"Levomethotrimeprazine"	"EPA_DSSTox"	"COC1=CC2=C(SC3=C(C=CC=C3)N2C[C@H](C)CN(C)C)C=C1"	"CN(C)CC(C)CN1C2C=C(C=CC=2SC2C=CC=CC1=2)OC"	"?"	"InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3"	"VRQVVMDWGGWHTJ-UHFFFAOYSA-N"	"1100.0"	"3"	"4"	"FALSE"	"FALSE"
"2700"	"70429-40-2"	"DTXSID90220699"	"4H-Pyrido(1,2-a)pyrimidin-4-one, 7-chloro-3-ethyl-2-methyl-, monohydrochloride"	"EPA_DSSTox"	"Cl.CCC1=C(C)N=C2C=CC(Cl)=CN2C1=O"	"CC1N=C2C=CC(Cl)=CN2C(=O)C=1CC"	"Cl"	"InChI=1S/C11H11ClN2O/c1-3-9-7(2)13-10-5-4-8(12)6-14(10)11(9)15/h4-6H,3H2,1-2H3"	"IUNLOULNXPRKSP-UHFFFAOYSA-N"	"1100.0"	"3"	"4"	"FALSE"	"FALSE"
"2701"	"97699-72-4"	"DTXSID60243133"	"2-Naphthaleneacetic acid, 6-methoxy-alpha-methyl-, 2-(4-benzyl-1-piperazinyl)ethyl ester, (S)-"	"EPA_DSSTox"	"COC1=CC2=C(C=C1)C=C(C=C2)[C@H](C)C(=O)OCCN1CCN(CC2=CC=CC=C2)CC1"	"COC1=CC2=CC=C(C=C2C=C1)C(C)C(=O)OCCN1CCN(CC2C=CC=CC=2)CC1"	"?"	"InChI=1S/C27H32N2O3/c1-21(23-8-9-25-19-26(31-2)11-10-24(25)18-23)27(30)32-17-16-28-12-14-29(15-13-28)20-22-6-4-3-5-7-22/h3-11,18-19,21H,12-17,20H2,1-2H3"	"XQIUVDPKCXBOLN-UHFFFAOYSA-N"	"1100.0"	"3"	"4"	"FALSE"	"FALSE"
"2702"	"34643-12-4"			"Public_CrossChecked"	"CCC(C)c1ccc(Oc2ccc(C)cc2CC(O)=O)c(Cl)c1"	"CC1C=CC(OC2C=CC(=CC=2Cl)C(C)CC)=C(CC(O)=O)C=1"	"?"	"InChI=1S/C19H21ClO3/c1-4-13(3)14-6-8-18(16(20)10-14)23-17-7-5-12(2)9-15(17)11-19(21)22/h5-10,13H,4,11H2,1-3H3,(H,21,22)"	"GXEMWUSHSIBTJU-UHFFFAOYSA-N"	"1109.0"	"3"	"4"	"FALSE"	"FALSE"
"2703"	"39660-55-4"			"Public_CrossChecked"	"CC(F)(F)C(F)(F)C(F)(F)C(O)(F)F"	"CC(F)(F)C(F)(F)C(F)(F)C(O)(F)F"	"?"	"InChI=1S/C5H4F8O/c1-2(6,7)3(8,9)4(10,11)5(12,13)14/h14H,1H3"	"KUGBQWBWWNPMIT-UHFFFAOYSA-N"	"1110.0"	"3"	"4"	"FALSE"	"FALSE"
"2704"	"106-58-1"	"DTXSID8051544"	"1,4-Dimethylpiperazine"	"EPA_DSSTox"	"CN1CCN(C)CC1"	"CN1CCN(C)CC1"	"?"	"InChI=1S/C6H14N2/c1-7-3-5-8(2)6-4-7/h3-6H2,1-2H3"	"RXYPXQSKLGGKOL-UHFFFAOYSA-N"	"1116.2"	"3"	"4"	"FALSE"	"FALSE"
"2705"	"62265-22-9"	"DTXSID60211317"	"(1,4'-Bipiperidine)-4'-carboxamide, 1'-(4-(4-fluorophenyl)-4-oxobutyl)-, monohydrochloride"	"EPA_DSSTox"	"Cl.NC(=O)C1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)N1CCCCC1"	"NC(=O)C1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)N1CCCCC1"	"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"	"1120.0"	"3"	"4"	"FALSE"	"FALSE"
"2706"	"122-56-5"	"DTXSID9059543"	"Borane, tributyl-"	"EPA_DSSTox"	"CCCCB(CCCC)CCCC"	"CCCCB(CCCC)CCCC"	"?"	"InChI=1S/C12H27B/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3"	"CMHHITPYCHHOGT-UHFFFAOYSA-N"	"1125.0"	"3"	"4"	"FALSE"	"FALSE"
"2707"	"1503-53-3"	"DTXSID1074541"	"2-(Acetyloxy)-5-bromobenzoic acid"	"EPA_DSSTox"	"CC(=O)OC1=CC=C(Br)C=C1C(O)=O"	"CC(=O)OC1=CC=C(Br)C=C1C(O)=O"	"?"	"InChI=1S/C9H7BrO4/c1-5(11)14-8-3-2-6(10)4-7(8)9(12)13/h2-4H,1H3,(H,12,13)"	"VRJBEVQGJOSGOX-UHFFFAOYSA-N"	"1130.0"	"3"	"4"	"FALSE"	"FALSE"
"2708"	"3818-90-4"	"DTXSID40191567"	"Succinic acid, alpha-butyl-p-chlorobenzyl ester"	"EPA_DSSTox"	"OC(=O)CCC(=O)OCCCCCC1=CC=C(Cl)C=C1"	"OC(=O)CCC(=O)OCCCCCC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C15H19ClO4/c16-13-7-5-12(6-8-13)4-2-1-3-11-20-15(19)10-9-14(17)18/h5-8H,1-4,9-11H2,(H,17,18)"	"LCPXTPZKKXGDAK-UHFFFAOYSA-N"	"1130.0"	"3"	"4"	"FALSE"	"FALSE"
"2709"	"67485-29-4"	"DTXSID6023868"	"Hydramethylnon"	"EPA_DSSTox"	"CC1(C)CNC(NC1)=NN=C(\C=C\C1=CC=C(C=C1)C(F)(F)F)/C=C/C1=CC=C(C=C1)C(F)(F)F"	"CC1(C)CNC(NC1)=NN=C(C=CC1C=CC(=CC=1)C(F)(F)F)C=CC1C=CC(=CC=1)C(F)(F)F"	"?"	"InChI=1S/C25H24F6N4/c1-23(2)15-32-22(33-16-23)35-34-21(13-7-17-3-9-19(10-4-17)24(26,27)28)14-8-18-5-11-20(12-6-18)25(29,30)31/h3-14H,15-16H2,1-2H3,(H2,32,33,35)"	"IQVNEKKDSLOHHK-UHFFFAOYSA-N"	"1131.0"	"3"	"4"	"FALSE"	"FALSE"
"2710"	"108-00-9"	"DTXSID7059357"	"1,2-Ethanediamine, N,N-dimethyl-"	"EPA_DSSTox"	"CN(C)CCN"	"CN(C)CCN"	"?"	"InChI=1S/C4H12N2/c1-6(2)4-3-5/h3-5H2,1-2H3"	"DILRJUIACXKSQE-UHFFFAOYSA-N"	"1135.0"	"3"	"4"	"FALSE"	"FALSE"
"2711"	"15687-18-0"	"DTXSID9023047"	"Fenpentadiol"	"EPA_DSSTox"	"CC(C)(O)CC(C)(O)C1=CC=C(Cl)C=C1"	"CC(C)(O)CC(C)(O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C12H17ClO2/c1-11(2,14)8-12(3,15)9-4-6-10(13)7-5-9/h4-7,14-15H,8H2,1-3H3"	"SNJDSTGQYRTZJT-UHFFFAOYSA-N"	"1140.0"	"3"	"4"	"FALSE"	"FALSE"
"2712"	"76674-21-0"	"DTXSID8040727"	"Flutriafol"	"EPA_DSSTox"	"OC(CN1C=NC=N1)(C1=CC=C(F)C=C1)C1=C(F)C=CC=C1"	"OC(CN1C=NC=N1)(C1C=CC=CC=1F)C1C=CC(F)=CC=1"	"?"	"InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2"	"JWUCHKBSVLQQCO-UHFFFAOYSA-N"	"1140.0"	"3"	"4"	"FALSE"	"FALSE"
"2713"	"3567-26-8"	"DTXSID10189173"	"Benzenesulfonamide, N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-p-methoxy-"	"EPA_DSSTox"	"COC1=CC=C(C=C1)S(=O)(=O)NC1=NN=C(S1)C(C)(C)C"	"COC1C=CC(=CC=1)S(=O)(=O)NC1=NN=C(S1)C(C)(C)C"	"?"	"InChI=1S/C13H17N3O3S2/c1-13(2,3)11-14-15-12(20-11)16-21(17,18)10-7-5-9(19-4)6-8-10/h5-8H,1-4H3,(H,15,16)"	"GMRFPMLJHOFDDW-UHFFFAOYSA-N"	"1150.0"	"3"	"4"	"FALSE"	"FALSE"
"2714"	"60047-17-8"	"DTXSID60863673"	"2-Furanmethanol, 5-ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl-"	"EPA_DSSTox"	"CC(C)(O)C1CCC(C)(O1)C=C"	"CC(C)(O)C1CCC(C)(C=C)O1"	"?"	"InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3"	"BRHDDEIRQPDPMG-UHFFFAOYSA-N"	"1150.0"	"3"	"4"	"FALSE"	"FALSE"
"2715"	"64808-48-6"	"DTXSID8048606"	"Lobenzarit sodium"	"EPA_DSSTox"	"[Na+].[Na+].[O-]C(=O)C1=CC=CC=C1NC1=CC(Cl)=CC=C1C([O-])=O"	"OC(=O)C1C=CC(Cl)=CC=1NC1C=CC=CC=1C(O)=O"	"[Na+].[Na+]"	"InChI=1S/C14H10ClNO4/c15-8-5-6-10(14(19)20)12(7-8)16-11-4-2-1-3-9(11)13(17)18/h1-7,16H,(H,17,18)(H,19,20)"	"UGDPYGKWIHHBMB-UHFFFAOYSA-N"	"1150.0"	"3"	"4"	"FALSE"	"FALSE"
"2716"	"117666-92-9"	"DTXSID40151863"	"1,3-Benzodioxole-5-carbothioic acid, O-ethyl ester"	"EPA_DSSTox"	"CCOC(=S)C1=CC2=C(OCO2)C=C1"	"CCOC(=S)C1C=CC2OCOC=2C=1"	"?"	"InChI=1S/C10H10O3S/c1-2-11-10(14)7-3-4-8-9(5-7)13-6-12-8/h3-5H,2,6H2,1H3"	"UHYLUZHRHCRMFH-UHFFFAOYSA-N"	"1160.0"	"3"	"4"	"FALSE"	"FALSE"
"2717"	"64-55-1"	"DTXSID1023239"	"Mebutamate"	"EPA_DSSTox"	"CCC(C)C(C)(COC(N)=O)COC(N)=O"	"CCC(C)C(C)(COC(N)=O)COC(N)=O"	"?"	"InChI=1S/C10H20N2O4/c1-4-7(2)10(3,5-15-8(11)13)6-16-9(12)14/h7H,4-6H2,1-3H3,(H2,11,13)(H2,12,14)"	"LEROTMJVBFSIMP-UHFFFAOYSA-N"	"1160.0"	"3"	"4"	"FALSE"	"FALSE"
"2718"	"140-76-1"	"DTXSID2059699"	"2-Methyl-5-vinylpyridine"	"EPA_DSSTox"	"CC1=CC=C(C=C)C=N1"	"CC1=CC=C(C=N1)C=C"	"?"	"InChI=1S/C8H9N/c1-3-8-5-4-7(2)9-6-8/h3-6H,1H2,2H3"	"VJOWMORERYNYON-UHFFFAOYSA-N"	"1167.0"	"3"	"4"	"FALSE"	"FALSE"
"2719"	"551-11-1"	"DTXSID9022946"	"Dinoprost"	"EPA_DSSTox"	"CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O"	"CCCCCC(O)C=CC1C(CC=CCCCC(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/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)"	"PXGPLTODNUVGFL-UHFFFAOYSA-N"	"1170.0"	"3"	"4"	"FALSE"	"FALSE"
"2720"	"74-11-3"	"DTXSID9024772"	"4-Chlorobenzoic acid"	"EPA_DSSTox"	"OC(=O)C1=CC=C(Cl)C=C1"	"OC(=O)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)"	"XRHGYUZYPHTUJZ-UHFFFAOYSA-N"	"1170.0"	"3"	"4"	"FALSE"	"FALSE"
"2721"	"35575-96-3"	"DTXSID9034818"	"Azamethiphos"	"EPA_DSSTox"	"COP(=O)(OC)SCN1C(=O)OC2=CC(Cl)=CN=C12"	"COP(=O)(OC)SCN1C2N=CC(Cl)=CC=2OC1=O"	"?"	"InChI=1S/C9H10ClN2O5PS/c1-15-18(14,16-2)19-5-12-8-7(17-9(12)13)3-6(10)4-11-8/h3-4H,5H2,1-2H3"	"VNKBTWQZTQIWDV-UHFFFAOYSA-N"	"1180.0"	"3"	"4"	"FALSE"	"FALSE"
"2722"	"13187-06-9"	"DTXSID7045863"	"Pimethixene maleate"	"EPA_DSSTox"	"OC(=O)\C=C/C(O)=O.CN1CCC(CC1)=C1C2=CC=CC=C2SC2=CC=CC=C12"	"CN1CCC(CC1)=C1C2C=CC=CC=2SC2C=CC=CC=21"	"OC(=O)/C=C\C(O)=O"	"InChI=1S/C19H19NS/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19/h2-9H,10-13H2,1H3"	"NZLVRVYNQYGMAB-UHFFFAOYSA-N"	"1186.0"	"3"	"4"	"FALSE"	"FALSE"
"2723"	"5266-97-7"	"DTXSID00200629"	"4-Hydroxycarbaryl"	"EPA_DSSTox"	"CNC(=O)OC1=CC=C(O)C2=CC=CC=C12"	"CNC(=O)OC1=CC=C(O)C2C=CC=CC=21"	"?"	"InChI=1S/C12H11NO3/c1-13-12(15)16-11-7-6-10(14)8-4-2-3-5-9(8)11/h2-7,14H,1H3,(H,13,15)"	"AXMHCYHGQSQUDN-UHFFFAOYSA-N"	"1190.0"	"3"	"4"	"FALSE"	"FALSE"
"2724"	"64057-52-9"	"DTXSID20214203"	"Acetamide, N-3-dibenzothienyl-"	"EPA_DSSTox"	"CC(=O)NC1=CC2=C(C=C1)C1=CC=CC=C1S2"	"CC(=O)NC1C=C2SC3=CC=CC=C3C2=CC=1"	"?"	"InChI=1S/C14H11NOS/c1-9(16)15-10-6-7-12-11-4-2-3-5-13(11)17-14(12)8-10/h2-8H,1H3,(H,15,16)"	"KPOVNLZGDMDGIK-UHFFFAOYSA-N"	"1195.0"	"3"	"4"	"FALSE"	"FALSE"
"2725"	"106498-99-1"			"Public_CrossChecked"	"CC[C@]1(CO)CCCN2CCc3c([nH]c4ccccc34)[C@H]12"	"CCC1(CO)CCCN2CCC3C4C=CC=CC=4NC=3C12"	"?"	"InChI=1S/C18H24N2O/c1-2-18(12-21)9-5-10-20-11-8-14-13-6-3-4-7-15(13)19-16(14)17(18)20/h3-4,6-7,17,19,21H,2,5,8-12H2,1H3"	"BKRBRZLECKMEBD-UHFFFAOYSA-N"	"1200.0"	"3"	"4"	"FALSE"	"FALSE"
"2726"	"16339-01-8"			"Public_CrossChecked"	"CN(N=O)c1ccc(cc1)N=Nc1ccccc1"	"CN(N=O)C1C=CC(=CC=1)N=NC1C=CC=CC=1"	"?"	"InChI=1S/C13H12N4O/c1-17(16-18)13-9-7-12(8-10-13)15-14-11-5-3-2-4-6-11/h2-10H,1H3"	"YKCOXSGBLMSJLH-UHFFFAOYSA-N"	"1200.0"	"3"	"4"	"FALSE"	"FALSE"
"2727"	"1982-42-9"	"DTXSID00173541"	"Acetamide, 2-(2,4-dichlorophenoxy)-"	"EPA_DSSTox"	"NC(=O)COC1=C(Cl)C=C(Cl)C=C1"	"NC(=O)COC1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C8H7Cl2NO2/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H2,11,12)"	"VGVRFARTWVJNQC-UHFFFAOYSA-N"	"1200.0"	"3"	"4"	"FALSE"	"FALSE"
"2728"	"25913-34-2"			"Public_CrossChecked"	"Cl.CCOC(=O)c1c(N)sc2CN(Cc3ccccc3)CCc12"	"CCOC(=O)C1=C(N)SC2CN(CC3C=CC=CC=3)CCC=21"	"Cl"	"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"	"1200.0"	"3"	"4"	"FALSE"	"FALSE"
"2729"	"3569-78-6"	"DTXSID40189202"	"Urea, (1-methylcyclopentyl)-"	"EPA_DSSTox"	"CC1(CCCC1)NC(N)=O"	"CC1(CCCC1)NC(N)=O"	"?"	"InChI=1S/C7H14N2O/c1-7(9-6(8)10)4-2-3-5-7/h2-5H2,1H3,(H3,8,9,10)"	"SOPWCEFXKLAPKS-UHFFFAOYSA-N"	"1200.0"	"3"	"4"	"FALSE"	"FALSE"
"2730"	"63887-50-3"	"DTXSID70213509"	"Benzamide, o-allyloxy-N-cyclohexyl-"	"EPA_DSSTox"	"C=CCOC1=CC=CC=C1C(=O)NC1CCCCC1"	"C=CCOC1=CC=CC=C1C(=O)NC1CCCCC1"	"?"	"InChI=1S/C16H21NO2/c1-2-12-19-15-11-7-6-10-14(15)16(18)17-13-8-4-3-5-9-13/h2,6-7,10-11,13H,1,3-5,8-9,12H2,(H,17,18)"	"UYODDCKMZFCTPB-UHFFFAOYSA-N"	"1200.0"	"3"	"4"	"FALSE"	"FALSE"
"2731"	"80-49-9"	"DTXSID4023127"	"Homatropine methylbromide"	"EPA_DSSTox"	"[Br-].C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(O)C1=CC=CC=C1"	"C[N+]1(C)C2CC(CC1CC2)OC(=O)C(O)C1C=CC=CC=1"	"[Br-]"	"InChI=1S/C17H24NO3/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12/h3-7,13-16,19H,8-11H2,1-2H3/q+1"	"WKWOJBUWWZTUQV-UHFFFAOYSA-N"	"1200.0"	"3"	"4"	"FALSE"	"FALSE"
"2732"	"27125-91-3"			"Public_CrossChecked"	"COC(C)C=CC"	"CC=CC(C)OC"	"?"	"InChI=1S/C6H12O/c1-4-5-6(2)7-3/h4-6H,1-3H3"	"BHZPHJWPPWDASK-UHFFFAOYSA-N"	"1210.0"	"3"	"4"	"FALSE"	"FALSE"
"2733"	"36364-49-5"	"DTXSID80189887"	"Imidazole salicylate"	"EPA_DSSTox"	"N1C=CN=C1.OC(=O)C1=CC=CC=C1O"	"OC1C=CC=CC=1C(O)=O"	"N1C=CN=C1"	"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)"	"YGSDEFSMJLZEOE-UHFFFAOYSA-N"	"1211.0"	"3"	"4"	"FALSE"	"FALSE"
"2734"	"2244-21-5"	"DTXSID5026178"	"Potassium dichloroisocyanurate"	"EPA_DSSTox"	"[K+].[O-]C1=NC(=O)N(Cl)C(=O)N1Cl"	"OC1=NC(=O)N(Cl)C(=O)N1Cl"	"[K+]"	"InChI=1S/C3HCl2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)"	"CEJLBZWIKQJOAT-UHFFFAOYSA-N"	"1215.0"	"3"	"4"	"FALSE"	"FALSE"
"2735"	"131-55-5"	"DTXSID5041306"	"2,2',4,4'-Tetrahydroxybenzophenone"	"EPA_DSSTox"	"OC1=CC(O)=C(C=C1)C(=O)C1=CC=C(O)C=C1O"	"OC1C=C(O)C=CC=1C(=O)C1=CC=C(O)C=C1O"	"?"	"InChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H"	"WXNRYSGJLQFHBR-UHFFFAOYSA-N"	"1220.0"	"3"	"4"	"FALSE"	"FALSE"
"2736"	"28981-97-7"	"DTXSID4022577"	"Alprazolam"	"EPA_DSSTox"	"CC1=NN=C2CN=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N12"	"CC1=NN=C2CN=C(C3=CC(Cl)=CC=C3N21)C1C=CC=CC=1"	"?"	"InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3"	"VREFGVBLTWBCJP-UHFFFAOYSA-N"	"1220.0"	"3"	"4"	"FALSE"	"FALSE"
"2737"	"39515-51-0"	"DTXSID3028005"	"3-Phenoxybenzaldehyde"	"EPA_DSSTox"	"O=CC1=CC(OC2=CC=CC=C2)=CC=C1"	"O=CC1=CC(=CC=C1)OC1C=CC=CC=1"	"?"	"InChI=1S/C13H10O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-10H"	"MRLGCTNJRREZHZ-UHFFFAOYSA-N"	"1222.0"	"3"	"4"	"FALSE"	"FALSE"
"2738"	"56903-81-2"	"DTXSID30205445"	"1,3-Benzodioxole-5-hexanamine, delta-(2-(1,3-benzodioxol-5-yl)ethyl)-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (salt)"	"EPA_DSSTox"	"OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)CCCC(CCC1=CC2=C(OCO2)C=C1)CCC1=CC2=C(OCO2)C=C1"	"CN(C)CCCC(CCC1=CC2OCOC=2C=C1)CCC1=CC2OCOC=2C=C1"	"OC(CC(O)=O)(CC(O)=O)C(O)=O"	"InChI=1S/C24H31NO4/c1-25(2)13-3-4-18(5-7-19-9-11-21-23(14-19)28-16-26-21)6-8-20-10-12-22-24(15-20)29-17-27-22/h9-12,14-15,18H,3-8,13,16-17H2,1-2H3"	"XSBCJOVXLGCMSC-UHFFFAOYSA-N"	"1228.0"	"3"	"4"	"FALSE"	"FALSE"
"2739"	"1882-26-4"	"DTXSID5045708"	"Pyricarbate"	"EPA_DSSTox"	"CNC(=O)OCC1=CC=CC(COC(=O)NC)=N1"	"CNC(=O)OCC1C=CC=C(COC(=O)NC)N=1"	"?"	"InChI=1S/C11H15N3O4/c1-12-10(15)17-6-8-4-3-5-9(14-8)7-18-11(16)13-2/h3-5H,6-7H2,1-2H3,(H,12,15)(H,13,16)"	"YEKQSSHBERGOJK-UHFFFAOYSA-N"	"1230.0"	"3"	"4"	"FALSE"	"FALSE"
"2740"	"63886-56-6"			"Public_CrossChecked"	"CC1CN(CCO)CC1C"	"CC1CN(CCO)CC1C"	"?"	"InChI=1S/C8H17NO/c1-7-5-9(3-4-10)6-8(7)2/h7-8,10H,3-6H2,1-2H3"	"QWLXIIXHTIUNAM-UHFFFAOYSA-N"	"1230.0"	"3"	"4"	"FALSE"	"FALSE"
"2741"	"91-63-4"	"DTXSID3040271"	"Quinaldine"	"EPA_DSSTox"	"CC1=NC2=C(C=CC=C2)C=C1"	"CC1C=CC2C=CC=CC=2N=1"	"?"	"InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3"	"SMUQFGGVLNAIOZ-UHFFFAOYSA-N"	"1230.0"	"3"	"4"	"FALSE"	"FALSE"
"2742"	"99803-72-2"	"DTXSID70244257"	"Nerbacadol"	"EPA_DSSTox"	"CC1=C(C=NO1)C(=O)N1CCCCC1"	"CC1ON=CC=1C(=O)N1CCCCC1"	"?"	"InChI=1S/C10H14N2O2/c1-8-9(7-11-14-8)10(13)12-5-3-2-4-6-12/h7H,2-6H2,1H3"	"ZWNGSOLJLMBZFZ-UHFFFAOYSA-N"	"1240.0"	"3"	"4"	"FALSE"	"FALSE"
"2743"	"118288-08-7"	"DTXSID0046434"	"Lafutidine"	"EPA_DSSTox"	"O=C(CS(=O)CC1=CC=CO1)NC\C=C/COC1=NC=CC(CN2CCCCC2)=C1"	"O=C(CS(=O)CC1=CC=CO1)NCC=CCOC1C=C(CN2CCCCC2)C=CN=1"	"?"	"InChI=1S/C22H29N3O4S/c26-21(18-30(27)17-20-7-6-14-28-20)23-9-2-5-13-29-22-15-19(8-10-24-22)16-25-11-3-1-4-12-25/h2,5-8,10,14-15H,1,3-4,9,11-13,16-18H2,(H,23,26)"	"KMZQAVXSMUKBPD-UHFFFAOYSA-N"	"1248.0"	"3"	"4"	"FALSE"	"FALSE"
"2744"	"122-19-0"	"DTXSID2025139"	"N,N-Dimethyl-N-octadecylbenzenemethanaminium chloride"	"EPA_DSSTox"	"[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1"	"CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1C=CC=CC=1"	"[Cl-]"	"InChI=1S/C27H50N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27/h19-21,23-24H,4-18,22,25-26H2,1-3H3/q+1"	"FWLORMQUOWCQPO-UHFFFAOYSA-N"	"1250.0"	"3"	"4"	"FALSE"	"FALSE"
"2745"	"140-93-2"	"DTXSID8027084"	"Proxan-sodium"	"EPA_DSSTox"	"[Na+].CC(C)OC([S-])=S"	"CC(C)OC(S)=S"	"[Na+]"	"InChI=1S/C4H8OS2/c1-3(2)5-4(6)7/h3H,1-2H3,(H,6,7)"	"UOJYYXATTMQQNA-UHFFFAOYSA-N"	"1250.0"	"3"	"4"	"FALSE"	"FALSE"
"2746"	"25417-20-3"	"DTXSID6041848"	"Dibutylnaphthalenesulfonic acid sodium salt"	"EPA_DSSTox"	"[Na+].CCCCC1=CC=C2C(C=C(CCCC)C=C2S([O-])(=O)=O)=C1"	"CCCCC1C=C2C=C(CCCC)C=C(C2=CC=1)S(O)(=O)=O"	"[Na+]"	"InChI=1S/C18H24O3S/c1-3-5-7-14-9-10-17-16(11-14)12-15(8-6-4-2)13-18(17)22(19,20)21/h9-13H,3-8H2,1-2H3,(H,19,20,21)"	"DLRGPYQGIHQZBY-UHFFFAOYSA-N"	"1250.0"	"3"	"4"	"FALSE"	"FALSE"
"2747"	"68206-94-0"	"DTXSID2048373"	"Cloricromen"	"EPA_DSSTox"	"CCOC(=O)COC1=C(Cl)C2=C(C=C1)C(C)=C(CCN(CC)CC)C(=O)O2"	"CC1C2C=CC(OCC(=O)OCC)=C(Cl)C=2OC(=O)C=1CCN(CC)CC"	"?"	"InChI=1S/C20H26ClNO5/c1-5-22(6-2)11-10-15-13(4)14-8-9-16(26-12-17(23)25-7-3)18(21)19(14)27-20(15)24/h8-9H,5-7,10-12H2,1-4H3"	"GYNNRVJJLAVVTQ-UHFFFAOYSA-N"	"1250.0"	"3"	"4"	"FALSE"	"FALSE"
"2748"	"765-15-1"	"DTXSID5042089"	"Lauryl thiocyanate"	"EPA_DSSTox"	"CCCCCCCCCCCCSC#N"	"CCCCCCCCCCCCSC#N"	"?"	"InChI=1S/C13H25NS/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14/h2-12H2,1H3"	"RYZZMYXTNUJGMU-UHFFFAOYSA-N"	"1250.0"	"3"	"4"	"FALSE"	"FALSE"
"2749"	"63675-72-9"	"DTXSID0023371"	"Nisoldipine"	"EPA_DSSTox"	"COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)C"	"CC(C)COC(=O)C1C(C2=CC=CC=C2[N+]([O-])=O)C(C(=O)OC)=C(C)NC=1C"	"?"	"InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3"	"VKQFCGNPDRICFG-UHFFFAOYSA-N"	"1257.0"	"3"	"4"	"FALSE"	"FALSE"
"2750"	"578-54-1"	"DTXSID0042242"	"2-Ethylaniline"	"EPA_DSSTox"	"CCC1=C(N)C=CC=C1"	"CCC1C=CC=CC=1N"	"?"	"InChI=1S/C8H11N/c1-2-7-5-3-4-6-8(7)9/h3-6H,2,9H2,1H3"	"MLPVBIWIRCKMJV-UHFFFAOYSA-N"	"1260.0"	"3"	"4"	"FALSE"	"FALSE"
"2751"	"90-22-2"	"DTXSID5049027"	"Diethylmethyl(2-3-methyl-2-phenylvaleryloxy)-ethyl)ammonium bromide"	"EPA_DSSTox"	"[Br-].CCC(C)C(C(=O)OCC[N+](C)(CC)CC)C1=CC=CC=C1"	"CC(CC)C(C(=O)OCC[N+](C)(CC)CC)C1C=CC=CC=1"	"[Br-]"	"InChI=1S/C19H32NO2/c1-6-16(4)18(17-12-10-9-11-13-17)19(21)22-15-14-20(5,7-2)8-3/h9-13,16,18H,6-8,14-15H2,1-5H3/q+1"	"UPPMZCXMQRVMME-UHFFFAOYSA-N"	"1260.0"	"3"	"4"	"FALSE"	"FALSE"
"2752"	"544-92-3"	"DTXSID7023986"	"Copper cyanide"	"EPA_DSSTox"	"[Cu+].[C-]#N"	"C#N"	"[Cu+]"	"InChI=1S/CHN/c1-2/h1H"	"LELOWRISYMNNSU-UHFFFAOYSA-N"	"1265.0"	"3"	"4"	"FALSE"	"FALSE"
"2753"	"13329-71-0"	"DTXSID7065415"	"1-Octadecanamine, N-(1-methylethyl)-"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCCNC(C)C"	"CCCCCCCCCCCCCCCCCCNC(C)C"	"?"	"InChI=1S/C21H45N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(2)3/h21-22H,4-20H2,1-3H3"	"WHFZOMWNDCWQRF-UHFFFAOYSA-N"	"1270.0"	"3"	"4"	"FALSE"	"FALSE"
"2754"	"86386-73-4"	"DTXSID3020627"	"Fluconazole"	"EPA_DSSTox"	"OC(CN1C=NC=N1)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1"	"OC(CN1C=NC=N1)(CN1C=NC=N1)C1C=CC(F)=CC=1F"	"?"	"InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2"	"RFHAOTPXVQNOHP-UHFFFAOYSA-N"	"1271.0"	"3"	"4"	"FALSE"	"FALSE"
"2755"	"1929-88-0"	"DTXSID8041662"	"Benzthiazuron"	"EPA_DSSTox"	"CNC(=O)NC1=NC2=CC=CC=C2S1"	"CNC(=O)NC1=NC2C=CC=CC=2S1"	"?"	"InChI=1S/C9H9N3OS/c1-10-8(13)12-9-11-6-4-2-3-5-7(6)14-9/h2-5H,1H3,(H2,10,11,12,13)"	"DTCJYIIKPVRVDD-UHFFFAOYSA-N"	"1280.0"	"3"	"4"	"FALSE"	"FALSE"
"2756"	"2209-86-1"	"DTXSID40176591"	"Loprodiol"	"EPA_DSSTox"	"OCC(CO)(CCl)CCl"	"OCC(CCl)(CCl)CO"	"?"	"InChI=1S/C5H10Cl2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2"	"YFESJHPTNWYOCO-UHFFFAOYSA-N"	"1285.0"	"3"	"4"	"FALSE"	"FALSE"
"2757"	"13001-46-2"	"DTXSID00156293"	"Potassium isobutylxanthate"	"EPA_DSSTox"	"[K+].CC(C)COC([S-])=S"	"CC(C)COC(S)=S"	"[K+]"	"InChI=1S/C5H10OS2/c1-4(2)3-6-5(7)8/h4H,3H2,1-2H3,(H,7,8)"	"KOVPITHBHSZRLT-UHFFFAOYSA-N"	"1290.0"	"3"	"4"	"FALSE"	"FALSE"
"2758"	"67-92-5"	"DTXSID0058778"	"2-Diethylaminoethyl bicyclohexyl-1-carboxylate hydrochloride"	"EPA_DSSTox"	"Cl.CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1"	"CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC"	"Cl"	"InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3"	"CURUTKGFNZGFSE-UHFFFAOYSA-N"	"1290.0"	"3"	"4"	"FALSE"	"FALSE"
"2759"	"75625-99-9"			"Public_CrossChecked"	"CC(C(O)=O)c1ccc(C=C(C)C)cc1"	"CC(C)=CC1=CC=C(C=C1)C(C)C(O)=O"	"?"	"InChI=1S/C13H16O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-8,10H,1-3H3,(H,14,15)"	"WYUJTWQSJJRVIG-UHFFFAOYSA-N"	"1295.0"	"3"	"4"	"FALSE"	"FALSE"
"2760"	"123-51-3"	"DTXSID3025469"	"Isopentyl alcohol"	"EPA_DSSTox"	"CC(C)CCO"	"CC(C)CCO"	"?"	"InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3"	"PHTQWCKDNZKARW-UHFFFAOYSA-N"	"1300.0"	"3"	"4"	"FALSE"	"FALSE"
"2761"	"19032-53-2"			"Public_CrossChecked"	"COS([O-])(=O)=O.CCCCCCCCC[N+]1(C)[C@H]2CC(C[C@H]1[C@@H]1O[C@H]21)OC(=O)C(CO)c1ccccc1"	"CCCCCCCCC[N+]1(C)C2CC(CC1C1OC12)OC(=O)C(CO)C1C=CC=CC=1"	"COS(=O)(=O)[O-]"	"InChI=1S/C26H40NO4/c1-3-4-5-6-7-8-12-15-27(2)22-16-20(17-23(27)25-24(22)31-25)30-26(29)21(18-28)19-13-10-9-11-14-19/h9-11,13-14,20-25,28H,3-8,12,15-18H2,1-2H3/q+1"	"YUTPPIHTSBMJOT-UHFFFAOYSA-N"	"1300.0"	"3"	"4"	"FALSE"	"FALSE"
"2762"	"3226-32-2"	"DTXSID00186010"	"Phenol, o-hexyl-"	"EPA_DSSTox"	"CCCCCCC1=CC=CC=C1O"	"CCCCCCC1C=CC=CC=1O"	"?"	"InChI=1S/C12H18O/c1-2-3-4-5-8-11-9-6-7-10-12(11)13/h6-7,9-10,13H,2-5,8H2,1H3"	"ABMULKFGWTYIIK-UHFFFAOYSA-N"	"1300.0"	"3"	"4"	"FALSE"	"FALSE"
"2763"	"617-94-7"	"DTXSID3027247"	"2-Phenylpropan-2-ol"	"EPA_DSSTox"	"CC(C)(O)C1=CC=CC=C1"	"CC(C)(O)C1C=CC=CC=1"	"?"	"InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3"	"BDCFWIDZNLCTMF-UHFFFAOYSA-N"	"1300.0"	"3"	"4"	"FALSE"	"FALSE"
"2764"	"141-82-2"	"DTXSID7021659"	"Propanedioic acid"	"EPA_DSSTox"	"OC(=O)CC(O)=O"	"OC(=O)CC(O)=O"	"?"	"InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)"	"OFOBLEOULBTSOW-UHFFFAOYSA-N"	"1310.0"	"3"	"4"	"FALSE"	"FALSE"
"2765"	"118-61-6"	"DTXSID1021958"	"Ethyl salicylate"	"EPA_DSSTox"	"CCOC(=O)C1=C(O)C=CC=C1"	"CCOC(=O)C1C=CC=CC=1O"	"?"	"InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3"	"GYCKQBWUSACYIF-UHFFFAOYSA-N"	"1320.0"	"3"	"4"	"FALSE"	"FALSE"
"2766"	"532-03-6"	"DTXSID6023286"	"Methocarbamol"	"EPA_DSSTox"	"COC1=CC=CC=C1OCC(O)COC(N)=O"	"COC1=CC=CC=C1OCC(O)COC(N)=O"	"?"	"InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)"	"GNXFOGHNGIVQEH-UHFFFAOYSA-N"	"1320.0"	"3"	"4"	"FALSE"	"FALSE"
"2767"	"73986-86-4"			"Public_CrossChecked"	"CCCCCCCCC(CCCN)CC=CCl"	"CCCCCCCCC(CC=CCl)CCCN"	"?"	"InChI=1S/C15H30ClN/c1-2-3-4-5-6-7-10-15(11-8-13-16)12-9-14-17/h8,13,15H,2-7,9-12,14,17H2,1H3"	"XNQLXAYEGVHJGL-UHFFFAOYSA-N"	"1320.0"	"3"	"4"	"FALSE"	"FALSE"
"2768"	"38700-88-8"	"DTXSID2068133"	"Benzene, 1-chloro-3-(phenylthio)-"	"EPA_DSSTox"	"ClC1=CC=CC(SC2=CC=CC=C2)=C1"	"ClC1C=C(C=CC=1)SC1C=CC=CC=1"	"?"	"InChI=1S/C12H9ClS/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H"	"YNJLAXHIFOICPE-UHFFFAOYSA-N"	"1324.0"	"3"	"4"	"FALSE"	"FALSE"
"2769"	"2524-04-1"	"DTXSID5027487"	"O,O-Diethyl chlorothiophosphate"	"EPA_DSSTox"	"CCOP(Cl)(=S)OCC"	"CCOP(=S)(Cl)OCC"	"?"	"InChI=1S/C4H10ClO2PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3"	"KMJJJTCKNZYTEY-UHFFFAOYSA-N"	"1340.0"	"3"	"4"	"FALSE"	"FALSE"
"2770"	"69563-88-8"	"DTXSID3071987"	"Benzenamine, 4,4'-[[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis(4,1-phenyleneoxy)]bis-"	"EPA_DSSTox"	"NC1=CC=C(OC2=CC=C(C=C2)C(C2=CC=C(OC3=CC=C(N)C=C3)C=C2)(C(F)(F)F)C(F)(F)F)C=C1"	"NC1C=CC(=CC=1)OC1C=CC(=CC=1)C(C1C=CC(=CC=1)OC1C=CC(N)=CC=1)(C(F)(F)F)C(F)(F)F"	"?"	"InChI=1S/C27H20F6N2O2/c28-26(29,30)25(27(31,32)33,17-1-9-21(10-2-17)36-23-13-5-19(34)6-14-23)18-3-11-22(12-4-18)37-24-15-7-20(35)8-16-24/h1-16H,34-35H2"	"HHLMWQDRYZAENA-UHFFFAOYSA-N"	"1340.0"	"3"	"4"	"FALSE"	"FALSE"
"2771"	"60207-93-4"	"DTXSID2041913"	"Etaconazole"	"EPA_DSSTox"	"CCC1COC(CN2C=NC=N2)(O1)C1=C(Cl)C=C(Cl)C=C1"	"CCC1COC(CN2C=NC=N2)(O1)C1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C14H15Cl2N3O2/c1-2-11-6-20-14(21-11,7-19-9-17-8-18-19)12-4-3-10(15)5-13(12)16/h3-5,8-9,11H,2,6-7H2,1H3"	"DWRKFAJEBUWTQM-UHFFFAOYSA-N"	"1343.0"	"3"	"4"	"FALSE"	"FALSE"
"2772"	"54143-56-5"	"DTXSID8020626"	"Flecainide acetate"	"EPA_DSSTox"	"CC(O)=O.FC(F)(F)COC1=CC(C(=O)NCC2CCCCN2)=C(OCC(F)(F)F)C=C1"	"O=C(NCC1CCCCN1)C1C=C(C=CC=1OCC(F)(F)F)OCC(F)(F)F"	"CC(=O)O"	"InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)"	"DJBNUMBKLMJRSA-UHFFFAOYSA-N"	"1346.0"	"3"	"4"	"FALSE"	"FALSE"
"2773"	"1940-42-7"	"DTXSID3062073"	"4-Bromo-2,5-dichlorophenol"	"EPA_DSSTox"	"OC1=C(Cl)C=C(Br)C(Cl)=C1"	"OC1C=C(Cl)C(Br)=CC=1Cl"	"?"	"InChI=1S/C6H3BrCl2O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H"	"HWWKEEKUMAZJLL-UHFFFAOYSA-N"	"1350.0"	"3"	"4"	"FALSE"	"FALSE"
"2774"	"5790-91-0"	"DTXSID60206622"	"2-Benzoxazolinone, 5-chloro-3-ethyl-"	"EPA_DSSTox"	"CCN1C(=O)OC2=C1C=C(Cl)C=C2"	"CCN1C(=O)OC2C=CC(Cl)=CC1=2"	"?"	"InChI=1S/C9H8ClNO2/c1-2-11-7-5-6(10)3-4-8(7)13-9(11)12/h3-5H,2H2,1H3"	"NGNSUTIRTDXXGA-UHFFFAOYSA-N"	"1350.0"	"3"	"4"	"FALSE"	"FALSE"
"2775"	"77664-07-4"			"Public_CrossChecked"	"COc1cc(C=CC(=S)N2CCOCC2)cc(OC)c1OC"	"COC1C=C(C=C(OC)C=1OC)C=CC(=S)N1CCOCC1"	"?"	"InChI=1S/C16H21NO4S/c1-18-13-10-12(11-14(19-2)16(13)20-3)4-5-15(22)17-6-8-21-9-7-17/h4-5,10-11H,6-9H2,1-3H3"	"VKPHNZLLDFYGDL-UHFFFAOYSA-N"	"1350.0"	"3"	"4"	"FALSE"	"FALSE"
"2776"	"4121-35-1"	"DTXSID40194134"	"Phenazine, 1,2,3,4-tetrahydro-, 5,10-dioxide"	"EPA_DSSTox"	"[O-]N1C2=C(CCCC2)[N+](=O)C2=CC=CC=C12"	"ON1C2C=CC=CC=2[N+](=O)C2CCCCC1=2"	"?"	"InChI=1S/C12H13N2O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-2,5-6,15H,3-4,7-8H2/q+1"	"IZFRHKVMYDNDJS-UHFFFAOYSA-N"	"1356.0"	"3"	"4"	"FALSE"	"FALSE"
"2777"	"63957-56-2"			"Public_CrossChecked"	"[Cl-].CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc12"	"C[N+](CCOC(=O)C1C2=CC=CC=C2OC2C=CC=CC=21)(CC)CC"	"[Cl-]"	"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"	"1360.0"	"3"	"4"	"FALSE"	"FALSE"
"2778"	"3006-93-7"	"DTXSID3044415"	"N,N'-1,3-Phenylenedimaleimide"	"EPA_DSSTox"	"O=C1C=CC(=O)N1C1=CC(=CC=C1)N1C(=O)C=CC1=O"	"O=C1C=CC(=O)N1C1=CC(=CC=C1)N1C(=O)C=CC1=O"	"?"	"InChI=1S/C14H8N2O4/c17-11-4-5-12(18)15(11)9-2-1-3-10(8-9)16-13(19)6-7-14(16)20/h1-8H"	"IPJGAEWUPXWFPL-UHFFFAOYSA-N"	"1370.0"	"3"	"4"	"FALSE"	"FALSE"
"2779"	"91-88-3"	"DTXSID3021801"	"2-(N-Ethyl-m-toluidino)ethanol"	"EPA_DSSTox"	"CCN(CCO)C1=CC(C)=CC=C1"	"CC1C=C(C=CC=1)N(CCO)CC"	"?"	"InChI=1S/C11H17NO/c1-3-12(7-8-13)11-6-4-5-10(2)9-11/h4-6,9,13H,3,7-8H2,1-2H3"	"KRNUKKZDGDAWBF-UHFFFAOYSA-N"	"1370.0"	"3"	"4"	"FALSE"	"FALSE"
"2780"	"64057-90-5"			"Public_CrossChecked"	"[Cl-].[NH3+]c1cccc2c3CCCCc3[nH]c12"	"NC1C=CC=C2C=1NC1CCCCC=12"	"[Cl-]"	"InChI=1S/C12H14N2/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h3,5-6,14H,1-2,4,7,13H2"	"XRVPYLJMIRUIJU-UHFFFAOYSA-N"	"1375.0"	"3"	"4"	"FALSE"	"FALSE"
"2781"	"122-03-2"	"DTXSID9021974"	"4-Isopropylbenzaldehyde"	"EPA_DSSTox"	"CC(C)C1=CC=C(C=O)C=C1"	"CC(C)C1C=CC(C=O)=CC=1"	"?"	"InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3"	"WTWBUQJHJGUZCY-UHFFFAOYSA-N"	"1390.0"	"3"	"4"	"FALSE"	"FALSE"
"2782"	"49847-97-4"			"Public_CrossChecked"	"[K+].C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)CCC([O-])=O"	"CC12CCC3C(C1CCC2(O)CCC(O)=O)C1CC1C1=CC(=O)CCC13C"	"[K+]"	"InChI=1S/C23H32O4/c1-21-7-3-13(24)11-18(21)14-12-15(14)20-16(21)4-8-22(2)17(20)5-9-23(22,27)10-6-19(25)26/h11,14-17,20,27H,3-10,12H2,1-2H3,(H,25,26)"	"OHZWNMVYJJTNKU-UHFFFAOYSA-N"	"1397.0"	"3"	"4"	"FALSE"	"FALSE"
"2783"	"132-35-4"	"DTXSID5048760"	"Proxazole citrate"	"EPA_DSSTox"	"OC(=O)CC(O)(CC(O)=O)C(O)=O.CCC(C1=NOC(CCN(CC)CC)=N1)C1=CC=CC=C1"	"CCC(C1N=C(CCN(CC)CC)ON=1)C1C=CC=CC=1"	"C(C(O)=O)(CC(O)=O)(O)CC(=O)O"	"InChI=1S/C17H25N3O/c1-4-15(14-10-8-7-9-11-14)17-18-16(21-19-17)12-13-20(5-2)6-3/h7-11,15H,4-6,12-13H2,1-3H3"	"OLTAWOVKGWWERU-UHFFFAOYSA-N"	"1400.0"	"3"	"4"	"FALSE"	"FALSE"
"2784"	"19625-12-8"			"Public_CrossChecked"	"OC(=O)C=CC([O-])=O.C[NH+](C)CCC1Oc2ccccc2Nc2ccccc12"	"CN(C)CCC1OC2C=CC=CC=2NC2C=CC=CC=21"	"C(=C/C(=O)[O-])\C(=O)O"	"InChI=1S/C17H20N2O/c1-19(2)12-11-16-13-7-3-4-8-14(13)18-15-9-5-6-10-17(15)20-16/h3-10,16,18H,11-12H2,1-2H3"	"APZLQOUDYCBAEH-UHFFFAOYSA-N"	"1400.0"	"3"	"4"	"FALSE"	"FALSE"
"2785"	"53734-79-5"	"DTXSID90202016"	"Metralindole hydrochloride"	"EPA_DSSTox"	"Cl.COC1=CC2=C(C=C1)N1CCN(C)C3=NCCC2=C13"	"CN1CCN2C3C1=NCCC=3C1=CC(=CC=C21)OC"	"Cl"	"InChI=1S/C15H17N3O/c1-17-7-8-18-13-4-3-10(19-2)9-12(13)11-5-6-16-15(17)14(11)18/h3-4,9H,5-8H2,1-2H3"	"GVXBHSBKKJRBMS-UHFFFAOYSA-N"	"1400.0"	"3"	"4"	"FALSE"	"FALSE"
"2786"	"77599-17-8"			"Public_CrossChecked"	"OCCNCCOc1ccc(cc1)C(=C(c1ccccc1)C(F)(F)F)c1ccccc1"	"OCCNCCOC1C=CC(=CC=1)C(=C(C1C=CC=CC=1)C(F)(F)F)C1C=CC=CC=1"	"?"	"InChI=1S/C25H24F3NO2/c26-25(27,28)24(21-9-5-2-6-10-21)23(19-7-3-1-4-8-19)20-11-13-22(14-12-20)31-18-16-29-15-17-30/h1-14,29-30H,15-18H2"	"MHXVDXXARZCVRK-UHFFFAOYSA-N"	"1400.0"	"3"	"4"	"FALSE"	"FALSE"
"2787"	"92-12-6"	"DTXSID9023467"	"Phenyltoloxamine"	"EPA_DSSTox"	"CN(C)CCOC1=C(CC2=CC=CC=C2)C=CC=C1"	"CN(C)CCOC1C=CC=CC=1CC1C=CC=CC=1"	"?"	"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"	"1400.0"	"3"	"4"	"FALSE"	"FALSE"
"2788"	"10140-84-8"	"DTXSID90143910"	"Ethane, 1-(2,4-dichlorophenoxy)-2-ethoxy-"	"EPA_DSSTox"	"CCOCCOC1=C(Cl)C=C(Cl)C=C1"	"CCOCCOC1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C10H12Cl2O2/c1-2-13-5-6-14-10-4-3-8(11)7-9(10)12/h3-4,7H,2,5-6H2,1H3"	"XFTJLWMVEBPEKO-UHFFFAOYSA-N"	"1410.0"	"3"	"4"	"FALSE"	"FALSE"
"2789"	"123-38-6"	"DTXSID2021658"	"Propanal"	"EPA_DSSTox"	"CCC=O"	"CCC=O"	"?"	"InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3"	"NBBJYMSMWIIQGU-UHFFFAOYSA-N"	"1410.0"	"3"	"4"	"FALSE"	"FALSE"
"2790"	"21452-14-2"			"Public_CrossChecked"	"Cc1nc(N)sc1C(=O)Nc1ccccc1"	"CC1N=C(N)SC=1C(=O)NC1C=CC=CC=1"	"?"	"InChI=1S/C11H11N3OS/c1-7-9(16-11(12)13-7)10(15)14-8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,13)(H,14,15)"	"CACOMUHPQMDEJQ-UHFFFAOYSA-N"	"1410.0"	"3"	"4"	"FALSE"	"FALSE"
"2791"	"4454-05-1"	"DTXSID9027570"	"2-Methoxy-3,4-dihydro-2H-pyran"	"EPA_DSSTox"	"COC1CCC=CO1"	"COC1CCC=CO1"	"?"	"InChI=1S/C6H10O2/c1-7-6-4-2-3-5-8-6/h3,5-6H,2,4H2,1H3"	"XCYWUZHUTJDTGS-UHFFFAOYSA-N"	"1410.0"	"3"	"4"	"FALSE"	"FALSE"
"2792"	"31934-88-0"	"DTXSID20185767"	"5-Chloro-3-methylcatechol"	"EPA_DSSTox"	"CC1=CC(Cl)=CC(O)=C1O"	"CC1C=C(Cl)C=C(O)C=1O"	"?"	"InChI=1S/C7H7ClO2/c1-4-2-5(8)3-6(9)7(4)10/h2-3,9-10H,1H3"	"DEMKYMVOIBWYAM-UHFFFAOYSA-N"	"1412.0"	"3"	"4"	"FALSE"	"FALSE"
"2793"	"2675-94-7"	"DTXSID10181258"	"N,N-Diethylacrylamide"	"EPA_DSSTox"	"CCN(CC)C(=O)C=C"	"CCN(CC)C(=O)C=C"	"?"	"InChI=1S/C7H13NO/c1-4-7(9)8(5-2)6-3/h4H,1,5-6H2,2-3H3"	"OVHHHVAVHBHXAK-UHFFFAOYSA-N"	"1415.0"	"3"	"4"	"FALSE"	"FALSE"
"2794"	"36505-82-5"			"Public_CrossChecked"	"CCCC1(CC(O)=O)OCCc2c1[nH]c1ccccc21"	"CCCC1(CC(O)=O)OCCC2C3C=CC=CC=3NC1=2"	"?"	"InChI=1S/C16H19NO3/c1-2-8-16(10-14(18)19)15-12(7-9-20-16)11-5-3-4-6-13(11)17-15/h3-6,17H,2,7-10H2,1H3,(H,18,19)"	"IZGMROSLQHXRDZ-UHFFFAOYSA-N"	"1420.0"	"3"	"4"	"FALSE"	"FALSE"
"2795"	"541-28-6"	"DTXSID8060246"	"Butane, 1-iodo-3-methyl-"	"EPA_DSSTox"	"CC(C)CCI"	"CC(C)CCI"	"?"	"InChI=1S/C5H11I/c1-5(2)3-4-6/h5H,3-4H2,1-2H3"	"BUZZUHJODKQYTF-UHFFFAOYSA-N"	"1424.0"	"3"	"4"	"FALSE"	"FALSE"
"2796"	"69002-84-2"	"DTXSID00219059"	"5-Hydroxydiclofenac"	"EPA_DSSTox"	"OC(=O)CC1=C(NC2=C(Cl)C=CC=C2Cl)C=CC(O)=C1"	"OC1C=C(CC(O)=O)C(=CC=1)NC1C(Cl)=CC=CC=1Cl"	"?"	"InChI=1S/C14H11Cl2NO3/c15-10-2-1-3-11(16)14(10)17-12-5-4-9(18)6-8(12)7-13(19)20/h1-6,17-18H,7H2,(H,19,20)"	"VNQURRWYKFZKJZ-UHFFFAOYSA-N"	"1430.0"	"3"	"4"	"FALSE"	"FALSE"
"2797"	"64622-45-3"	"DTXSID7023140"	"Ibuprofen piconol"	"EPA_DSSTox"	"CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCC1=NC=CC=C1"	"CC(C)CC1C=CC(=CC=1)C(C)C(=O)OCC1C=CC=CN=1"	"?"	"InChI=1S/C19H23NO2/c1-14(2)12-16-7-9-17(10-8-16)15(3)19(21)22-13-18-6-4-5-11-20-18/h4-11,14-15H,12-13H2,1-3H3"	"ACEWLPOYLGNNHV-UHFFFAOYSA-N"	"1440.0"	"3"	"4"	"FALSE"	"FALSE"
"2798"	"120-71-8"	"DTXSID1020350"	"2-Methoxy-5-methylaniline"	"EPA_DSSTox"	"COC1=CC=C(C)C=C1N"	"CC1C=C(N)C(=CC=1)OC"	"?"	"InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3"	"WXWCDTXEKCVRRO-UHFFFAOYSA-N"	"1450.0"	"3"	"4"	"FALSE"	"FALSE"
"2799"	"49803-32-9"	"DTXSID10198083"	"1,3-Indandione, 2-(1-(1-methylethyl)-4(1H)-pyridinylidene)-"	"EPA_DSSTox"	"CC(C)N1C=CC(C=C1)=C1C(=O)C2=CC=CC=C2C1=O"	"CC(C)N1C=CC(C=C1)=C1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C17H15NO2/c1-11(2)18-9-7-12(8-10-18)15-16(19)13-5-3-4-6-14(13)17(15)20/h3-11H,1-2H3"	"BARWNEXAEKNALP-UHFFFAOYSA-N"	"1450.0"	"3"	"4"	"FALSE"	"FALSE"
"2800"	"728-88-1"	"DTXSID8023686"	"Tolperisone"	"EPA_DSSTox"	"CC(CN1CCCCC1)C(=O)C1=CC=C(C)C=C1"	"CC1C=CC(=CC=1)C(=O)C(C)CN1CCCCC1"	"?"	"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"	"1450.0"	"3"	"4"	"FALSE"	"FALSE"
"2801"	"66941-57-9"	"DTXSID10217122"	"Barbituric acid, 5-allyl-5-(2-(butylthio)ethyl)-2-thio-, sodium salt"	"EPA_DSSTox"	"[Na+].CCCCSCCC1(CC=C)C(=O)NC([S-])=NC1=O"	"CCCCSCCC1(CC=C)C(=O)NC(S)=NC1=O"	"[Na+]"	"InChI=1S/C13H20N2O2S2/c1-3-5-8-19-9-7-13(6-4-2)10(16)14-12(18)15-11(13)17/h4H,2-3,5-9H2,1H3,(H2,14,15,16,17,18)"	"XBKQLRPRXKVBHG-UHFFFAOYSA-N"	"1453.0"	"3"	"4"	"FALSE"	"FALSE"
"2802"	"15467-20-6"	"DTXSID6065894"	"Nitrilotriacetic acid disodium salt"	"EPA_DSSTox"	"[Na+].[Na+].OC(=O)CN(CC([O-])=O)CC([O-])=O"	"OC(=O)CN(CC(O)=O)CC(O)=O"	"[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"	"1460.0"	"3"	"4"	"FALSE"	"FALSE"
"2803"	"33671-46-4"	"DTXSID0022852"	"Clotiazepam"	"EPA_DSSTox"	"CCC1=CC2=C(S1)N(C)C(=O)CN=C2C1=CC=CC=C1Cl"	"CCC1=CC2C(=NCC(=O)N(C)C=2S1)C1=CC=CC=C1Cl"	"?"	"InChI=1S/C16H15ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-9-14(20)19(2)16(12)21-10/h4-8H,3,9H2,1-2H3"	"CHBRHODLKOZEPZ-UHFFFAOYSA-N"	"1461.0"	"3"	"4"	"FALSE"	"FALSE"
"2804"	"17226-75-4"	"DTXSID40878402"	"Khellol Glucoside"	"EPA_DSSTox"	"COC1=C2C=COC2=CC2=C1C(=O)C=C(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O2"	"COC1=C2C=COC2=CC2OC(COC3OC(CO)C(O)C(O)C3O)=CC(=O)C=21"	"?"	"InChI=1S/C19H20O10/c1-25-18-9-2-3-26-11(9)5-12-14(18)10(21)4-8(28-12)7-27-19-17(24)16(23)15(22)13(6-20)29-19/h2-5,13,15-17,19-20,22-24H,6-7H2,1H3"	"SJRACCTZSAUMGO-UHFFFAOYSA-N"	"1469.0"	"3"	"4"	"FALSE"	"FALSE"
"2805"	"22729-74-4"	"DTXSID00177261"	"Methanesulfonamide, N-(p-chlorophenyl)-N-((1,1,2,2-tetrachloro-2-fluoroethyl)thio)-"	"EPA_DSSTox"	"CS(=O)(=O)N(SC(Cl)(Cl)C(F)(Cl)Cl)C1=CC=C(Cl)C=C1"	"CS(=O)(=O)N(SC(Cl)(Cl)C(F)(Cl)Cl)C1=CC=C(Cl)C=C1"	"?"	"InChI=1S/C9H7Cl5FNO2S2/c1-20(17,18)16(7-4-2-6(10)3-5-7)19-9(13,14)8(11,12)15/h2-5H,1H3"	"IPKJONDXVMXMBQ-UHFFFAOYSA-N"	"1470.0"	"3"	"4"	"FALSE"	"FALSE"
"2806"	"98124-09-5"	"DTXSID30243463"	"1H-Pyrrole-2-acetamide, N-(2-((2,5-dimethoxyphenyl)amino)-2-oxoethyl)-1-methyl-5-(4-methylbenzoyl)-"	"EPA_DSSTox"	"COC1=CC(NC(=O)CNC(=O)CC2=CC=C(N2C)C(=O)C2=CC=C(C)C=C2)=C(OC)C=C1"	"CC1C=CC(=CC=1)C(=O)C1=CC=C(CC(=O)NCC(=O)NC2=CC(=CC=C2OC)OC)N1C"	"?"	"InChI=1S/C25H27N3O5/c1-16-5-7-17(8-6-16)25(31)21-11-9-18(28(21)2)13-23(29)26-15-24(30)27-20-14-19(32-3)10-12-22(20)33-4/h5-12,14H,13,15H2,1-4H3,(H,26,29)(H,27,30)"	"SXENMHWUAFRKPO-UHFFFAOYSA-N"	"1470.0"	"3"	"4"	"FALSE"	"FALSE"
"2807"	"10138-89-3"			"Public_CrossChecked"	"COC(C)CC(OC)OC"	"CC(CC(OC)OC)OC"	"?"	"InChI=1S/C7H16O3/c1-6(8-2)5-7(9-3)10-4/h6-7H,5H2,1-4H3"	"OMAKZNALRADTRX-UHFFFAOYSA-N"	"1480.0"	"3"	"4"	"FALSE"	"FALSE"
"2808"	"50650-75-4"			"Public_CrossChecked"	"CC(Cc1cc(C)cc(=O)o1)CC(C)(C)C"	"Cc1cc(CC(C)CC(C)(C)C)oc(=O)c1"	"?"	"InChI=1S/C14H22O2/c1-10-6-12(16-13(15)8-10)7-11(2)9-14(3,4)5/h6,8,11H,7,9H2,1-5H3"	"LMCDKONPVQNISE-UHFFFAOYSA-N"	"1481.0"	"3"	"4"	"FALSE"	"FALSE"
"2809"	"154-41-6"	"DTXSID2025896"	"Phenylpropanolamine hydrochloride"	"EPA_DSSTox"		"CC(N)C(O)C1C=CC=CC=1"	"Cl"	"InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3"	"DLNKOYKMWOXYQA-UHFFFAOYSA-N"	"1490.0"	"3"	"4"	"FALSE"	"FALSE"
"2810"	"3040-44-6"	"DTXSID4062808"	"1-Piperidineethanol"	"EPA_DSSTox"	"OCCN1CCCCC1"	"OCCN1CCCCC1"	"?"	"InChI=1S/C7H15NO/c9-7-6-8-4-2-1-3-5-8/h9H,1-7H2"	"KZTWONRVIPPDKH-UHFFFAOYSA-N"	"1498.0"	"3"	"4"	"FALSE"	"FALSE"
"2811"	"102410-31-1"	"DTXSID10145052"	"Glycine, N,N-dimethyl-, ((6-methylimidazo(2,1-b)thiazol-5-yl)methylene)hydrazide"	"EPA_DSSTox"	"CN(C)CC(=O)N\N=C\C1=C(C)N=C2SC=CN12"	"CN(C)CC(=O)NN=CC1=C(C)N=C2SC=CN12"	"?"	"InChI=1S/C11H15N5OS/c1-8-9(16-4-5-18-11(16)13-8)6-12-14-10(17)7-15(2)3/h4-6H,7H2,1-3H3,(H,14,17)"	"NPBIXFKKVFSPJP-UHFFFAOYSA-N"	"1500.0"	"3"	"4"	"FALSE"	"FALSE"
"2812"	"109-79-5"	"DTXSID6026824"	"1-Butanethiol"	"EPA_DSSTox"	"CCCCS"	"CCCCS"	"?"	"InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3"	"WQAQPCDUOCURKW-UHFFFAOYSA-N"	"1500.0"	"3"	"4"	"FALSE"	"FALSE"
"2813"	"1300-94-3"	"DTXSID8046791"	"Amylmetacresol"	"EPA_DSSTox"	"CCCCCC1=CC=C(C)C=C1O"	"CC1C=C(O)C(CCCCC)=CC=1"	"?"	"InChI=1S/C12H18O/c1-3-4-5-6-11-8-7-10(2)9-12(11)13/h7-9,13H,3-6H2,1-2H3"	"CKGWFZQGEQJZIL-UHFFFAOYSA-N"	"1500.0"	"3"	"4"	"FALSE"	"FALSE"
"2814"	"13887-59-7"			"Public_CrossChecked"	"CC(C)NC(=O)OCC(O)C1COc2ccccc2O1"	"CC(C)NC(=O)OCC(O)C1COC2C=CC=CC=2O1"	"?"	"InChI=1S/C14H19NO5/c1-9(2)15-14(17)19-7-10(16)13-8-18-11-5-3-4-6-12(11)20-13/h3-6,9-10,13,16H,7-8H2,1-2H3,(H,15,17)"	"HHPCQLLZYJQHJX-UHFFFAOYSA-N"	"1500.0"	"3"	"4"	"FALSE"	"FALSE"
"2815"	"143343-83-3"	"DTXSID3048813"	"Toborinone"	"EPA_DSSTox"	"COC1=C(OC)C=C(CNCC(O)COC2=CC=C3NC(=O)C=CC3=C2)C=C1"	"COC1C=C(CNCC(O)COC2C=C3C=CC(=O)NC3=CC=2)C=CC=1OC"	"?"	"InChI=1S/C21H24N2O5/c1-26-19-7-3-14(9-20(19)27-2)11-22-12-16(24)13-28-17-5-6-18-15(10-17)4-8-21(25)23-18/h3-10,16,22,24H,11-13H2,1-2H3,(H,23,25)"	"BYKYPZBCMBEEGU-UHFFFAOYSA-N"	"1500.0"	"3"	"4"	"FALSE"	"FALSE"
"2816"	"18174-58-8"	"DTXSID5057672"	"Pipoxolan hydrochloride"	"EPA_DSSTox"	"Cl.O=C1OC(CCN2CCCCC2)OC1(C1=CC=CC=C1)C1=CC=CC=C1"	"O=C1OC(CCN2CCCCC2)OC1(C1C=CC=CC=1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C22H25NO3/c24-21-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)26-20(25-21)14-17-23-15-8-3-9-16-23/h1-2,4-7,10-13,20H,3,8-9,14-17H2"	"DXSUDONPFZKWOO-UHFFFAOYSA-N"	"1500.0"	"3"	"4"	"FALSE"	"FALSE"
"2817"	"2163-69-1"	"DTXSID8041824"	"Cycluron"	"EPA_DSSTox"	"CN(C)C(=O)NC1CCCCCCC1"	"CN(C)C(=O)NC1CCCCCCC1"	"?"	"InChI=1S/C11H22N2O/c1-13(2)11(14)12-10-8-6-4-3-5-7-9-10/h10H,3-9H2,1-2H3,(H,12,14)"	"DQZCVNGCTZLGAQ-UHFFFAOYSA-N"	"1500.0"	"3"	"4"	"FALSE"	"FALSE"
"2818"	"24771-25-3"	"DTXSID9067019"	"Carbonimidic acid, cyano-, dimethyl ester"	"EPA_DSSTox"	"COC(OC)=NC#N"	"COC(=NC#N)OC"	"?"	"InChI=1S/C4H6N2O2/c1-7-4(8-2)6-3-5/h1-2H3"	"ZOKYZTUQSVAKHS-UHFFFAOYSA-N"	"1500.0"	"3"	"4"	"FALSE"	"FALSE"
"2819"	"3083-25-8"	"DTXSID8025250"	"1,2-Epoxy-4,4,4-trichlorobutane"	"EPA_DSSTox"	"ClC(Cl)(Cl)CC1CO1"	"ClC(Cl)(Cl)CC1CO1"	"?"	"InChI=1S/C4H5Cl3O/c5-4(6,7)1-3-2-8-3/h3H,1-2H2"	"CYYDNXCYDWWSPS-UHFFFAOYSA-N"	"1500.0"	"3"	"4"	"FALSE"	"FALSE"
"2820"	"483-63-6"	"DTXSID6040664"	"Crotamiton"	"EPA_DSSTox"	"CCN(C(=O)C=CC)C1=CC=CC=C1C"	"CC1C=CC=CC=1N(CC)C(=O)C=CC"	"?"	"InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3"	"DNTGGZPQPQTDQF-UHFFFAOYSA-N"	"1500.0"	"3"	"4"	"FALSE"	"FALSE"
"2821"	"54-84-2"			"Public_CrossChecked"	"Cl.CN(C)CCCSc1ccccc1NC(=O)C=Cc1ccccc1"	"CN(C)CCCSC1C=CC=CC=1NC(=O)C=CC1C=CC=CC=1"	"Cl"	"InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)"	"RSUVYMGADVXGOU-UHFFFAOYSA-N"	"1500.0"	"3"	"4"	"FALSE"	"FALSE"
"2822"	"56986-36-8"			"Public_CrossChecked"	"CCCCN(COC(C)=O)N=O"	"CCCCN(COC(C)=O)N=O"	"?"	"InChI=1S/C7H14N2O3/c1-3-4-5-9(8-11)6-12-7(2)10/h3-6H2,1-2H3"	"YMUAXKYTHNCMAS-UHFFFAOYSA-N"	"1500.0"	"3"	"4"	"FALSE"	"FALSE"
"2823"	"590-63-6"	"DTXSID2022676"	"Bethanechol"	"EPA_DSSTox"	"[Cl-].CC(C[N+](C)(C)C)OC(N)=O"	"CC(C[N+](C)(C)C)OC(N)=O"	"[Cl-]"	"InChI=1S/C7H16N2O2/c1-6(11-7(8)10)5-9(2,3)4/h6H,5H2,1-4H3,(H-,8,10)/p+1"	"NZUPCNDJBJXXRF-UHFFFAOYSA-O"	"1500.0"	"3"	"4"	"FALSE"	"FALSE"
"2824"	"64036-74-4"	"DTXSID40214023"	"Benzothiazole, 6-nitro-2-(p-nitrobenzoylamino)-"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC=C(C=C1)C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+]([O-])=O"	"[O-][N+](=O)C1C=C2SC(NC(=O)C3C=CC(=CC=3)[N+]([O-])=O)=NC2=CC=1"	"?"	"InChI=1S/C14H8N4O5S/c19-13(8-1-3-9(4-2-8)17(20)21)16-14-15-11-6-5-10(18(22)23)7-12(11)24-14/h1-7H,(H,15,16,19)"	"YBBSIEMORQCPPR-UHFFFAOYSA-N"	"1500.0"	"3"	"4"	"FALSE"	"FALSE"
"2825"	"685-91-6"	"DTXSID9020459"	"Diethylacetamide"	"EPA_DSSTox"	"CCN(CC)C(C)=O"	"CC(=O)N(CC)CC"	"?"	"InChI=1S/C6H13NO/c1-4-7(5-2)6(3)8/h4-5H2,1-3H3"	"AJFDBNQQDYLMJN-UHFFFAOYSA-N"	"1500.0"	"3"	"4"	"FALSE"	"FALSE"
"2826"	"7159-34-4"	"DTXSID1042362"	"Pyroxychlor"	"EPA_DSSTox"	"COC1=NC(Cl)=CC(=C1)C(Cl)(Cl)Cl"	"COC1C=C(C=C(Cl)N=1)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C7H5Cl4NO/c1-13-6-3-4(7(9,10)11)2-5(8)12-6/h2-3H,1H3"	"RPCKKUFLSMORHB-UHFFFAOYSA-N"	"1500.0"	"3"	"4"	"FALSE"	"FALSE"
"2827"	"83-59-0"	"DTXSID0021202"	"Propyl isome"	"EPA_DSSTox"	"CCCOC(=O)C1C(C)CC2=C(C=C3OCOC3=C2)C1C(=O)OCCC"	"CC1CC2C=C3OCOC3=CC=2C(C1C(=O)OCCC)C(=O)OCCC"	"?"	"InChI=1S/C20H26O6/c1-4-6-23-19(21)17-12(3)8-13-9-15-16(26-11-25-15)10-14(13)18(17)20(22)24-7-5-2/h9-10,12,17-18H,4-8,11H2,1-3H3"	"UEKQGZQLUMSLNW-UHFFFAOYSA-N"	"1500.0"	"3"	"4"	"FALSE"	"FALSE"
"2828"	"2628-16-2"	"DTXSID2044898"	"4-Ethenylphenyl acetate"	"EPA_DSSTox"	"CC(=O)OC1=CC=C(C=C)C=C1"	"CC(=O)OC1C=CC(C=C)=CC=1"	"?"	"InChI=1S/C10H10O2/c1-3-9-4-6-10(7-5-9)12-8(2)11/h3-7H,1H2,2H3"	"JAMNSIXSLVPNLC-UHFFFAOYSA-N"	"1503.0"	"3"	"4"	"FALSE"	"FALSE"
"2829"	"1532-02-1"	"DTXSID90165273"	"Pentanoic acid, 4-(1-piperidinyl)cyclohexyl ester (9CI)"	"EPA_DSSTox"	"CCCCC(=O)OC1CCC(CC1)N1CCCCC1"	"CCCCC(=O)OC1CCC(CC1)N1CCCCC1"	"?"	"InChI=1S/C16H29NO2/c1-2-3-7-16(18)19-15-10-8-14(9-11-15)17-12-5-4-6-13-17/h14-15H,2-13H2,1H3"	"BELYKPLCHUFRRA-UHFFFAOYSA-N"	"1510.0"	"3"	"4"	"FALSE"	"FALSE"
"2830"	"63938-14-7"			"Public_CrossChecked"	"Oc1ccccc1C=CC(=O)OC(=O)C=Cc1ccccc1O"	"OC1=CC=CC=C1C=CC(=O)OC(=O)C=CC1=CC=CC=C1O"	"?"	"InChI=1S/C18H14O5/c19-15-7-3-1-5-13(15)9-11-17(21)23-18(22)12-10-14-6-2-4-8-16(14)20/h1-12,19-20H"	"RRNUBUJUSVRJSQ-UHFFFAOYSA-N"	"1510.0"	"3"	"4"	"FALSE"	"FALSE"
"2831"	"1532-04-3"	"DTXSID10165275"	"Isovaleric acid, 4-piperidinocyclohexyl ester"	"EPA_DSSTox"	"CC(C)CC(=O)OC1CCC(CC1)N1CCCCC1"	"CC(C)CC(=O)OC1CCC(CC1)N1CCCCC1"	"?"	"InChI=1S/C16H29NO2/c1-13(2)12-16(18)19-15-8-6-14(7-9-15)17-10-4-3-5-11-17/h13-15H,3-12H2,1-2H3"	"IRYRSABDVVIVBD-UHFFFAOYSA-N"	"1520.0"	"3"	"4"	"FALSE"	"FALSE"
"2832"	"111-12-6"	"DTXSID9047093"	"Methyl 2-octynoate"	"EPA_DSSTox"	"CCCCCC#CC(=O)OC"	"CCCCCC#CC(=O)OC"	"?"	"InChI=1S/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h3-6H2,1-2H3"	"FRLZQXRXIKQFNS-UHFFFAOYSA-N"	"1530.0"	"3"	"4"	"FALSE"	"FALSE"
"2833"	"2828-42-4"	"DTXSID70182529"	"Proximphan"	"EPA_DSSTox"	"CC(C)=NOC(=O)NC1=CC=CC=C1"	"CC(C)=NOC(=O)NC1C=CC=CC=1"	"?"	"InChI=1S/C10H12N2O2/c1-8(2)12-14-10(13)11-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,11,13)"	"LATYTXGNKNKTDS-UHFFFAOYSA-N"	"1540.0"	"3"	"4"	"FALSE"	"FALSE"
"2834"	"6506-37-2"	"DTXSID1057795"	"Nimorazole"	"EPA_DSSTox"	"[O-][N+](=O)C1=CN=CN1CCN1CCOCC1"	"[O-][N+](=O)C1=CN=CN1CCN1CCOCC1"	"?"	"InChI=1S/C9H14N4O3/c14-13(15)9-7-10-8-12(9)2-1-11-3-5-16-6-4-11/h7-8H,1-6H2"	"MDJFHRLTPRPZLY-UHFFFAOYSA-N"	"1540.0"	"3"	"4"	"FALSE"	"FALSE"
"2835"	"96-48-0"	"DTXSID6020224"	"4-Butyrolactone"	"EPA_DSSTox"	"O=C1CCCO1"	"O=C1CCCO1"	"?"	"InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2"	"YEJRWHAVMIAJKC-UHFFFAOYSA-N"	"1540.0"	"3"	"4"	"FALSE"	"FALSE"
"2836"	"104-01-8"	"DTXSID1059288"	"Benzeneacetic acid, 4-methoxy-"	"EPA_DSSTox"	"COC1=CC=C(CC(O)=O)C=C1"	"COC1C=CC(CC(O)=O)=CC=1"	"?"	"InChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)"	"NRPFNQUDKRYCNX-UHFFFAOYSA-N"	"1550.0"	"3"	"4"	"FALSE"	"FALSE"
"2837"	"1830-32-6"	"DTXSID50171370"	"Azintamide"	"EPA_DSSTox"	"CCN(CC)C(=O)CSC1=NN=C(Cl)C=C1"	"CCN(CC)C(=O)CSC1C=CC(Cl)=NN=1"	"?"	"InChI=1S/C10H14ClN3OS/c1-3-14(4-2)10(15)7-16-9-6-5-8(11)12-13-9/h5-6H,3-4,7H2,1-2H3"	"SSLKKMZJCJBOML-UHFFFAOYSA-N"	"1550.0"	"3"	"4"	"FALSE"	"FALSE"
"2838"	"4746-87-6"	"DTXSID60197147"	"Benzeneacetamide, alpha-hydroxy-alpha-phenyl- (9CI)"	"EPA_DSSTox"	"NC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1"	"NC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C14H13NO2/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H2,15,16)"	"REQXYFLFNBBIRX-UHFFFAOYSA-N"	"1550.0"	"3"	"4"	"FALSE"	"FALSE"
"2839"	"87314-99-6"	"DTXSID20236283"	"2,3-Pyridinedicarboxylic acid, strontium salt"	"EPA_DSSTox"	"[Sr++].[O-]C(=O)C1=C(N=CC=C1)C([O-])=O"	"OC(=O)C1=CC=CN=C1C(O)=O"	"[Sr+2]"	"InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)"	"GJAWHXHKYYXBSV-UHFFFAOYSA-N"	"1550.0"	"3"	"4"	"FALSE"	"FALSE"
"2840"	"98079-52-8"	"DTXSID2045527"	"Lomefloxacin hydrochloride"	"EPA_DSSTox"	"Cl.CCN1C=C(C(O)=O)C(=O)C2=C1C(F)=C(N1CCNC(C)C1)C(F)=C2"	"CCN1C=C(C(=O)C2C=C(F)C(=C(F)C1=2)N1CCNC(C)C1)C(O)=O"	"Cl"	"InChI=1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)"	"ZEKZLJVOYLTDKK-UHFFFAOYSA-N"	"1556.0"	"3"	"4"	"FALSE"	"FALSE"
"2841"	"64604-91-7"	"DTXSID90214856"	"Benzenepropanamide, N-(2-aminoethyl)-3,5-bis(1,1-dimethylethyl)-4-hydroxy-"	"EPA_DSSTox"	"CC(C)(C)C1=CC(CCC(=O)NCCN)=CC(=C1O)C(C)(C)C"	"CC(C)(C)C1C=C(CCC(=O)NCCN)C=C(C=1O)C(C)(C)C"	"?"	"InChI=1S/C19H32N2O2/c1-18(2,3)14-11-13(7-8-16(22)21-10-9-20)12-15(17(14)23)19(4,5)6/h11-12,23H,7-10,20H2,1-6H3,(H,21,22)"	"BAPROVDXKNPHAM-UHFFFAOYSA-N"	"1560.0"	"3"	"4"	"FALSE"	"FALSE"
"2842"	"941-98-0"	"DTXSID4052635"	"1'-Acetonaphthone"	"EPA_DSSTox"	"CC(=O)C1=CC=CC2=CC=CC=C12"	"CC(=O)C1=CC=CC2=CC=CC=C21"	"?"	"InChI=1S/C12H10O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H3"	"QQLIGMASAVJVON-UHFFFAOYSA-N"	"1560.0"	"3"	"4"	"FALSE"	"FALSE"
"2843"	"104-88-1"	"DTXSID2021860"	"4-Chlorobenzaldehyde"	"EPA_DSSTox"	"ClC1=CC=C(C=O)C=C1"	"O=CC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H"	"AVPYQKSLYISFPO-UHFFFAOYSA-N"	"1575.0"	"3"	"4"	"FALSE"	"FALSE"
"2844"	"54533-86-7"	"DTXSID5048637"	"Nizofenone"	"EPA_DSSTox"	"CCN(CC)CC1=NC=CN1C1=CC=C(C=C1C(=O)C1=CC=CC=C1Cl)[N+]([O-])=O"	"CCN(CC1=NC=CN1C1C=CC(=CC=1C(=O)C1C=CC=CC=1Cl)[N+]([O-])=O)CC"	"?"	"InChI=1S/C21H21ClN4O3/c1-3-24(4-2)14-20-23-11-12-25(20)19-10-9-15(26(28)29)13-17(19)21(27)16-7-5-6-8-18(16)22/h5-13H,3-4,14H2,1-2H3"	"WZGBZLHGOVJDET-UHFFFAOYSA-N"	"1580.0"	"3"	"4"	"FALSE"	"FALSE"
"2845"	"121-32-4"	"DTXSID5021968"	"3-Ethoxy-4-hydroxybenzaldehyde"	"EPA_DSSTox"	"CCOC1=C(O)C=CC(C=O)=C1"	"CCOC1C=C(C=O)C=CC=1O"	"?"	"InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3"	"CBOQJANXLMLOSS-UHFFFAOYSA-N"	"1590.0"	"3"	"4"	"FALSE"	"FALSE"
"2846"	"10138-19-9"	"DTXSID00143880"	"4-Heptyl-2,6-dimethylphenol"	"EPA_DSSTox"	"CCCCCCCC1=CC(C)=C(O)C(C)=C1"	"CCCCCCCC1C=C(C)C(O)=C(C)C=1"	"?"	"InChI=1S/C15H24O/c1-4-5-6-7-8-9-14-10-12(2)15(16)13(3)11-14/h10-11,16H,4-9H2,1-3H3"	"ODXLPNFLMWDVLM-UHFFFAOYSA-N"	"1600.0"	"3"	"4"	"FALSE"	"FALSE"
"2847"	"136-85-6"	"DTXSID1038743"	"5-Methyl-1H-benzotriazole"	"EPA_DSSTox"	"CC1=CC2=C(NN=N2)C=C1"	"CC1=CC2N=NNC=2C=C1"	"?"	"InChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)"	"LRUDIIUSNGCQKF-UHFFFAOYSA-N"	"1600.0"	"3"	"4"	"FALSE"	"FALSE"
"2848"	"1939-36-2"	"DTXSID9029225"	"Trimethylenediaminetetraacetic acid"	"EPA_DSSTox"	"OC(=O)CN(CCCN(CC(O)=O)CC(O)=O)CC(O)=O"	"OC(=O)CN(CC(O)=O)CCCN(CC(O)=O)CC(O)=O"	"?"	"InChI=1S/C11H18N2O8/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)"	"DMQQXDPCRUGSQB-UHFFFAOYSA-N"	"1600.0"	"3"	"4"	"FALSE"	"FALSE"
"2849"	"22730-86-5"			"Public_CrossChecked"	"CCN(C(C)=O)c1c(I)cc(I)c(OCCOC(C)C(O)=O)c1I"	"CC(=O)N(CC)C1C(I)=CC(I)=C(OCCOC(C)C(O)=O)C=1I"	"?"	"InChI=1S/C15H18I3NO5/c1-4-19(9(3)20)13-10(16)7-11(17)14(12(13)18)24-6-5-23-8(2)15(21)22/h7-8H,4-6H2,1-3H3,(H,21,22)"	"HCPRJARHRUCLBG-UHFFFAOYSA-N"	"1600.0"	"3"	"4"	"FALSE"	"FALSE"
"2850"	"32588-54-8"	"DTXSID8044917"	"2-(2-Methylbutan-2-yl)anthracene-9,10-dione"	"EPA_DSSTox"	"CCC(C)(C)C1=CC2=C(C=C1)C(=O)C1=C(C=CC=C1)C2=O"	"CCC(C)(C)C1=CC2=C(C=C1)C(=O)C1C=CC=CC=1C2=O"	"?"	"InChI=1S/C19H18O2/c1-4-19(2,3)12-9-10-15-16(11-12)18(21)14-8-6-5-7-13(14)17(15)20/h5-11H,4H2,1-3H3"	"WUKWGUZTPMOXOW-UHFFFAOYSA-N"	"1600.0"	"3"	"4"	"FALSE"	"FALSE"
"2851"	"36173-94-1"	"DTXSID80189741"	"1H-Indazole, 4,5,6,7-tetrahydro-3-(2-(4-morpholinyl)ethoxy)-"	"EPA_DSSTox"	"C(CN1CCOCC1)OC1=NNC2=C1CCCC2"	"C1CN(CCOC2=NNC3CCCCC=32)CCO1"	"?"	"InChI=1S/C13H21N3O2/c1-2-4-12-11(3-1)13(15-14-12)18-10-7-16-5-8-17-9-6-16/h1-10H2,(H,14,15)"	"HKXDANMWTBGMKW-UHFFFAOYSA-N"	"1600.0"	"3"	"4"	"FALSE"	"FALSE"
"2852"	"5240-72-2"	"DTXSID70875762"	"2-Norbornane methanol"	"EPA_DSSTox"	"OCC1CC2CCC1C2"	"OCC1CC2CC1CC2"	"?"	"InChI=1S/C8H14O/c9-5-8-4-6-1-2-7(8)3-6/h6-9H,1-5H2"	"LWHKUVOYICRGGR-UHFFFAOYSA-N"	"1600.0"	"3"	"4"	"FALSE"	"FALSE"
"2853"	"577-59-3"	"DTXSID6025723"	"2-Nitroacetophenone"	"EPA_DSSTox"	"CC(=O)C1=CC=CC=C1[N+]([O-])=O"	"CC(=O)C1=CC=CC=C1[N+]([O-])=O"	"?"	"InChI=1S/C8H7NO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3"	"SUGXZLKUDLDTKX-UHFFFAOYSA-N"	"1600.0"	"3"	"4"	"FALSE"	"FALSE"
"2854"	"61706-44-3"			"Public_CrossChecked"	"CC(C(N)=O)(c1ccccc1)c1ccc(N)cc1"	"CC(C1=CC=C(N)C=C1)(C1C=CC=CC=1)C(N)=O"	"?"	"InChI=1S/C15H16N2O/c1-15(14(17)18,11-5-3-2-4-6-11)12-7-9-13(16)10-8-12/h2-10H,16H2,1H3,(H2,17,18)"	"CAOYRGMDWVIDGV-UHFFFAOYSA-N"	"1600.0"	"3"	"4"	"FALSE"	"FALSE"
"2855"	"63956-91-2"			"Public_CrossChecked"	"CCCOC(=O)Nc1ccco1"	"CCCOC(=O)NC1=CC=CO1"	"?"	"InChI=1S/C8H11NO3/c1-2-5-12-8(10)9-7-4-3-6-11-7/h3-4,6H,2,5H2,1H3,(H,9,10)"	"PEGNJICWIBQPNA-UHFFFAOYSA-N"	"1600.0"	"3"	"4"	"FALSE"	"FALSE"
"2856"	"67747-09-5"	"DTXSID4024270"	"Prochloraz"	"EPA_DSSTox"	"CCCN(CCOC1=C(Cl)C=C(Cl)C=C1Cl)C(=O)N1C=CN=C1"	"CCCN(CCOC1C(Cl)=CC(Cl)=CC=1Cl)C(=O)N1C=CN=C1"	"?"	"InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3"	"TVLSRXXIMLFWEO-UHFFFAOYSA-N"	"1600.0"	"3"	"4"	"FALSE"	"FALSE"
"2857"	"92-16-0"	"DTXSID9059042"	"Benzenepropanamide, N-(2-methoxyphenyl)-.beta.-oxo-"	"EPA_DSSTox"	"COC1=C(NC(=O)CC(=O)C2=CC=CC=C2)C=CC=C1"	"COC1C=CC=CC=1NC(=O)CC(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C16H15NO3/c1-20-15-10-6-5-9-13(15)17-16(19)11-14(18)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,19)"	"FTYSHTGKLFLKRX-UHFFFAOYSA-N"	"1600.0"	"3"	"4"	"FALSE"	"FALSE"
"2858"	"23795-03-1"	"DTXSID80178478"	"Probenecid sodium"	"EPA_DSSTox"	"[Na+].CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C([O-])=O"	"CCCN(CCC)S(=O)(=O)C1C=CC(=CC=1)C(O)=O"	"[Na+]"	"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"	"1604.0"	"3"	"4"	"FALSE"	"FALSE"
"2859"	"10141-22-7"			"Public_CrossChecked"	"CC(Cl)(CCl)C=O"	"CC(Cl)(CCl)C=O"	"?"	"InChI=1S/C4H6Cl2O/c1-4(6,2-5)3-7/h3H,2H2,1H3"	"HWRRRIKZPDRSFG-UHFFFAOYSA-N"	"1620.0"	"3"	"4"	"FALSE"	"FALSE"
"2860"	"17292-62-5"	"DTXSID9051791"	"Sodium cyanamide"	"EPA_DSSTox"	"[Na+].[NH-]C#N"	"NC#N"	"[Na+]"	"InChI=1S/CH2N2/c2-1-3/h2H2"	"XZMCDFZZKTWFGF-UHFFFAOYSA-N"	"1620.0"	"3"	"4"	"FALSE"	"FALSE"
"2861"	"693-33-4"	"DTXSID8027298"	"1-Hexadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCC[N+](C)(C)CC([O-])=O"	"CCCCCCCCCCCCCCCC[N+](C)(C)CC(O)=O"	"?"	"InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2,3)19-20(22)23/h4-19H2,1-3H3/p+1"	"TYIOVYZMKITKRO-UHFFFAOYSA-O"	"1620.0"	"3"	"4"	"FALSE"	"FALSE"
"2862"	"91-57-6"	"DTXSID4020878"	"2-Methylnaphthalene"	"EPA_DSSTox"	"CC1=CC2=CC=CC=C2C=C1"	"CC1=CC2=CC=CC=C2C=C1"	"?"	"InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3"	"QIMMUPPBPVKWKM-UHFFFAOYSA-N"	"1630.0"	"3"	"4"	"FALSE"	"FALSE"
"2863"	"14293-44-8"	"DTXSID5023744"	"Xipamide"	"EPA_DSSTox"	"CC1=CC=CC(C)=C1NC(=O)C1=CC(=C(Cl)C=C1O)S(N)(=O)=O"	"CC1C=CC=C(C)C=1NC(=O)C1=CC(=C(Cl)C=C1O)S(N)(=O)=O"	"?"	"InChI=1S/C15H15ClN2O4S/c1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23(17,21)22)11(16)7-12(10)19/h3-7,19H,1-2H3,(H,18,20)(H2,17,21,22)"	"MTZBBNMLMNBNJL-UHFFFAOYSA-N"	"1640.0"	"3"	"4"	"FALSE"	"FALSE"
"2864"	"33499-12-6"			"Public_CrossChecked"	"CCOC(=O)C1=CN(C2CCCC(C)N2C1=O)C(=O)c1ccccc1"	"CC1CCCC2N1C(=O)C(=CN2C(=O)C1C=CC=CC=1)C(=O)OCC"	"?"	"InChI=1S/C19H22N2O4/c1-3-25-19(24)15-12-20(17(22)14-9-5-4-6-10-14)16-11-7-8-13(2)21(16)18(15)23/h4-6,9-10,12-13,16H,3,7-8,11H2,1-2H3"	"MVIGYGCVXABNPD-UHFFFAOYSA-N"	"1644.0"	"3"	"4"	"FALSE"	"FALSE"
"2865"	"495-54-5"	"DTXSID4043856"	"C.I. Basic Orange 2- parent (Chrysoidine free base)"	"EPA_DSSTox"	"NC1=CC=C(\N=N/C2=CC=CC=C2)C(N)=C1"	"NC1C=C(N)C(=CC=1)N=NC1C=CC=CC=1"	"?"	"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"	"1650.0"	"3"	"4"	"FALSE"	"FALSE"
"2866"	"98816-32-1"	"DTXSID90243828"	"N-Hydroxymethyl-3-methylpyrazole"	"EPA_DSSTox"	"CC1=NN(CO)C=C1"	"CC1C=CN(CO)N=1"	"?"	"InChI=1S/C5H8N2O/c1-5-2-3-7(4-8)6-5/h2-3,8H,4H2,1H3"	"WXHDUCRTLZRAEA-UHFFFAOYSA-N"	"1650.0"	"3"	"4"	"FALSE"	"FALSE"
"2867"	"5578-73-4"			"Public_CrossChecked"	"[Cl-].C[N+]1=C2C3=CC4=C(OCO4)C=C3C=CC2=C2C=CC3=C(OCO3)C2=C1"	"C[N+]1C=C2C3OCOC=3C=CC2=C2C=CC3C=C4OCOC4=CC=3C=12"	"[Cl-]"	"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"	"1658.0"	"3"	"4"	"FALSE"	"FALSE"
"2868"	"22254-24-6"	"DTXSID60858923"	"Ipratropium bromide"	"EPA_DSSTox"	"[Br-].CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1"	"CC(C)[N+]1(C)C2CC(CC1CC2)OC(=O)C(CO)C1C=CC=CC=1"	"[Br-]"	"InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1"	"OEXHQOGQTVQTAT-UHFFFAOYSA-N"	"1663.0"	"3"	"4"	"FALSE"	"FALSE"
"2869"	"3759-07-7"			"Public_CrossChecked"	"O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(C)CCCN1c2ccccc2C(C)(C)c2ccccc12"	"CN(C)CCCN1C2=CC=CC=C2C(C)(C)C2C=CC=CC1=2"	"[C@@H]([C@H](C(=O)O)O)(C(=O)O)O"	"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"	"1671.0"	"3"	"4"	"FALSE"	"FALSE"
"2870"	"7487-28-7"			"Public_CrossChecked"	"CC1(COCC2(C)CO2)CO1"	"CC1(COCC2(C)CO2)CO1"	"?"	"InChI=1S/C8H14O3/c1-7(5-10-7)3-9-4-8(2)6-11-8/h3-6H2,1-2H3"	"FPFZKFZYQYTAHO-UHFFFAOYSA-N"	"1680.0"	"3"	"4"	"FALSE"	"FALSE"
"2871"	"555-84-0"	"DTXSID2020973"	"1-[(5-Nitrofurfurylidene)amino]-2-imidazolidinone"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC=C(O1)\C=N\N1CCNC1=O"	"[O-][N+](=O)C1=CC=C(C=NN2CCNC2=O)O1"	"?"	"InChI=1S/C8H8N4O4/c13-8-9-3-4-11(8)10-5-6-1-2-7(16-6)12(14)15/h1-2,5H,3-4H2,(H,9,13)"	"VSVAVMVWTLLTCH-UHFFFAOYSA-N"	"1681.0"	"3"	"4"	"FALSE"	"FALSE"
"2872"	"86-86-2"	"DTXSID3020914"	"1-Naphthaleneacetamide"	"EPA_DSSTox"	"NC(=O)CC1=C2C=CC=CC2=CC=C1"	"NC(=O)CC1=CC=CC2C=CC=CC=21"	"?"	"InChI=1S/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)"	"XFNJVKMNNVCYEK-UHFFFAOYSA-N"	"1690.0"	"3"	"4"	"FALSE"	"FALSE"
"2873"	"10592-13-9"	"DTXSID1045405"	"Doxycycline hydrochloride"	"EPA_DSSTox"	"Cl.C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C2C(=O)C2=C1C=CC=C2O"	"CC1C2C(O)C3C(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/c1-7-8-5-4-6-9(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"	"1700.0"	"3"	"4"	"FALSE"	"FALSE"
"2874"	"13171-25-0"	"DTXSID1045407"	"Trimetazidine dihydrochloride"	"EPA_DSSTox"	"Cl.Cl.COC1=C(OC)C(OC)=C(CN2CCNCC2)C=C1"	"COC1C(OC)=C(CN2CCNCC2)C=CC=1OC"	"Cl.Cl"	"InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3"	"UHWVSEOVJBQKBE-UHFFFAOYSA-N"	"1700.0"	"3"	"4"	"FALSE"	"FALSE"
"2875"	"140-92-1"	"DTXSID6046973"	"Proxan-potassium"	"EPA_DSSTox"	"[K+].CC(C)OC([S-])=S"	"CC(C)OC(S)=S"	"[K+]"	"InChI=1S/C4H8OS2/c1-3(2)5-4(6)7/h3H,1-2H3,(H,6,7)"	"UOJYYXATTMQQNA-UHFFFAOYSA-N"	"1700.0"	"3"	"4"	"FALSE"	"FALSE"
"2876"	"2052-14-4"	"DTXSID8062153"	"Butyl salicylate"	"EPA_DSSTox"	"CCCCOC(=O)C1=CC=CC=C1O"	"CCCCOC(=O)C1=CC=CC=C1O"	"?"	"InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7,12H,2-3,8H2,1H3"	"YFDUWSBGVPBWKF-UHFFFAOYSA-N"	"1700.0"	"3"	"4"	"FALSE"	"FALSE"
"2877"	"280-57-9"	"DTXSID0022016"	"1,4-Diazabicyclo[2.2.2]octane"	"EPA_DSSTox"	"C1CN2CCN1CC2"	"C1CN2CCN1CC2"	"?"	"InChI=1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2"	"IMNIMPAHZVJRPE-UHFFFAOYSA-N"	"1700.0"	"3"	"4"	"FALSE"	"FALSE"
"2878"	"4746-61-6"			"Public_CrossChecked"	"OCC(=O)Nc1ccccc1"	"OC(C=O)NC1C=CC=CC=1"	"?"	"InChI=1S/C8H9NO2/c10-6-8(11)9-7-4-2-1-3-5-7/h1-6,8-9,11H"	"AXZRKUNEILMCTH-UHFFFAOYSA-N"	"1700.0"	"3"	"4"	"FALSE"	"FALSE"
"2879"	"51287-66-2"	"DTXSID30199279"	"Benphosformine"	"EPA_DSSTox"	"[Na+].N\C(N\C(N)=N\P(O)([O-])=O)=N/CC1=CC=CC=C1"	"N/C(/N/C(/N)=N/P(O)(O)=O)=N\CC1C=CC=CC=1"	"[Na+]"	"InChI=1S/C9H14N5O3P/c10-8(13-9(11)14-18(15,16)17)12-6-7-4-2-1-3-5-7/h1-5H,6H2,(H7,10,11,12,13,14,15,16,17)"	"VZIKPPVTSPAWEC-UHFFFAOYSA-N"	"1700.0"	"3"	"4"	"FALSE"	"FALSE"
"2880"	"67704-68-1"	"DTXSID90217988"	"Metazine"	"EPA_DSSTox"	"CC(C)NC1=NC(=NC(NC(C)C)=N1)N(C)C#N"	"CN(C#N)C1N=C(NC(C)C)N=C(NC(C)C)N=1"	"?"	"InChI=1S/C11H19N7/c1-7(2)13-9-15-10(14-8(3)4)17-11(16-9)18(5)6-12/h7-8H,1-5H3,(H2,13,14,15,16,17)"	"XMLHQGBTKIZHSK-UHFFFAOYSA-N"	"1700.0"	"3"	"4"	"FALSE"	"FALSE"
"2881"	"94-83-7"	"DTXSID8041296"	"2-(2,4-Dichlorophenoxy)ethyl benzoate"	"EPA_DSSTox"	"ClC1=CC(Cl)=C(OCCOC(=O)C2=CC=CC=C2)C=C1"	"O=C(OCCOC1C=CC(Cl)=CC=1Cl)C1C=CC=CC=1"	"?"	"InChI=1S/C15H12Cl2O3/c16-12-6-7-14(13(17)10-12)19-8-9-20-15(18)11-4-2-1-3-5-11/h1-7,10H,8-9H2"	"LGURYBCSJPXHTF-UHFFFAOYSA-N"	"1700.0"	"3"	"4"	"FALSE"	"FALSE"
"2882"	"1740-19-8"	"DTXSID8022163"	"Dehydroabietic acid"	"EPA_DSSTox"	"CC(C)C1=CC2=C(C=C1)[C@@]1(C)CCC[C@](C)([C@@H]1CC2)C(O)=O"	"CC(C)C1C=CC2=C(CCC3C(C)(CCCC23C)C(O)=O)C=1"	"?"	"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)"	"NFWKVWVWBFBAOV-UHFFFAOYSA-N"	"1710.0"	"3"	"4"	"FALSE"	"FALSE"
"2883"	"100-06-1"	"DTXSID2044347"	"4'-Methoxyacetophenone"	"EPA_DSSTox"	"COC1=CC=C(C=C1)C(C)=O"	"CC(=O)C1=CC=C(C=C1)OC"	"?"	"InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3"	"NTPLXRHDUXRPNE-UHFFFAOYSA-N"	"1720.0"	"3"	"4"	"FALSE"	"FALSE"
"2884"	"5694-72-4"			"Public_CrossChecked"	"OC[C@H]1CO[C@@H](Cc2ccccc2)O1"	"OCC1COC(CC2C=CC=CC=2)O1"	"?"	"InChI=1S/C11H14O3/c12-7-10-8-13-11(14-10)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2"	"ZPENOSKWEKGDCX-UHFFFAOYSA-N"	"1720.0"	"3"	"4"	"FALSE"	"FALSE"
"2885"	"19406-86-1"	"DTXSID9044407"	"3-Amino-4-methylbenzamide"	"EPA_DSSTox"	"CC1=C(N)C=C(C=C1)C(N)=O"	"CC1C=CC(=CC=1N)C(N)=O"	"?"	"InChI=1S/C8H10N2O/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,9H2,1H3,(H2,10,11)"	"VYBKAZXQKUFAHG-UHFFFAOYSA-N"	"1727.0"	"3"	"4"	"FALSE"	"FALSE"
"2886"	"13713-13-8"			"Public_CrossChecked"	"[I-].[I-].C[N+](C)(C)CCC[N+]1(C)CC2C(C1)C1CCC2C=C1"	"C[N+](C)(C)CCC[N+]1(C)CC2C(C1)C1CCC2C=C1"	"[I-].[I-]"	"InChI=1S/C17H32N2/c1-18(2,3)10-5-11-19(4)12-16-14-6-7-15(9-8-14)17(16)13-19/h6-7,14-17H,5,8-13H2,1-4H3/q+2"	"NZWSSBOXHYRFET-UHFFFAOYSA-N"	"1730.0"	"3"	"4"	"FALSE"	"FALSE"
"2887"	"631-64-1"	"DTXSID1023815"	"Dibromoacetic acid"	"EPA_DSSTox"	"OC(=O)C(Br)Br"	"OC(=O)C(Br)Br"	"?"	"InChI=1S/C2H2Br2O2/c3-1(4)2(5)6/h1H,(H,5,6)"	"SIEILFNCEFEENQ-UHFFFAOYSA-N"	"1737.0"	"3"	"4"	"FALSE"	"FALSE"
"2888"	"5978-92-7"			"Public_CrossChecked"	"OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C(=O)OCCOCCN2CCN(CC2)C(c2ccccc2)c2ccc(Cl)cc2)c1O"	"OC(=O)C1=CC2C=CC=CC=2C(CC2C3C=CC=CC=3C=C(C(=O)OCCOCCN3CCN(CC3)C(C3C=CC=CC=3)C3C=CC(Cl)=CC=3)C=2O)=C1O"	"?"	"InChI=1S/C44H41ClN2O7/c45-33-16-14-30(15-17-33)40(29-8-2-1-3-9-29)47-20-18-46(19-21-47)22-23-53-24-25-54-44(52)39-27-32-11-5-7-13-35(32)37(42(39)49)28-36-34-12-6-4-10-31(34)26-38(41(36)48)43(50)51/h1-17,26-27,40,48-49H,18-25,28H2,(H,50,51)"	"YENRTVJWRCAGEM-UHFFFAOYSA-N"	"1740.0"	"3"	"4"	"FALSE"	"FALSE"
"2889"	"143-29-3"	"DTXSID3027112"	"5,8,11,13,16,19-Hexaoxatricosane"	"EPA_DSSTox"	"CCCCOCCOCCOCOCCOCCOCCCC"	"CCCCOCCOCCOCOCCOCCOCCCC"	"?"	"InChI=1S/C17H36O6/c1-3-5-7-18-9-11-20-13-15-22-17-23-16-14-21-12-10-19-8-6-4-2/h3-17H2,1-2H3"	"DKWHHTWSTXZKDW-UHFFFAOYSA-N"	"1746.0"	"3"	"4"	"FALSE"	"FALSE"
"2890"	"2160-94-3"	"DTXSID40175968"	"3-Cyclohexene-1,1-dimethanol"	"EPA_DSSTox"	"OCC1(CO)CCC=CC1"	"OCC1(CC=CCC1)CO"	"?"	"InChI=1S/C8H14O2/c9-6-8(7-10)4-2-1-3-5-8/h1-2,9-10H,3-7H2"	"YXEBFFWTZWGHEY-UHFFFAOYSA-N"	"1750.0"	"3"	"4"	"FALSE"	"FALSE"
"2891"	"2373-38-8"	"DTXSID7027465"	"Butanedioic acid, sulfo-, 1,4-bis(1,3-dimethylbutyl) ester, sodium salt"	"EPA_DSSTox"	"[Na+].CC(C)CC(C)OC(=O)CC(C(=O)OC(C)CC(C)C)S([O-])(=O)=O"	"CC(CC(C)C)OC(=O)CC(C(=O)OC(C)CC(C)C)S(O)(=O)=O"	"[Na+]"	"InChI=1S/C16H30O7S/c1-10(2)7-12(5)22-15(17)9-14(24(19,20)21)16(18)23-13(6)8-11(3)4/h10-14H,7-9H2,1-6H3,(H,19,20,21)"	"CLJDUFMUISGSEC-UHFFFAOYSA-N"	"1750.0"	"3"	"4"	"FALSE"	"FALSE"
"2892"	"40766-30-1"			"Public_CrossChecked"	"CC(c1ccccc1)c1ccccc1C"	"CC1C=CC=CC=1C(C)C1C=CC=CC=1"	"?"	"InChI=1S/C15H16/c1-12-8-6-7-11-15(12)13(2)14-9-4-3-5-10-14/h3-11,13H,1-2H3"	"AOWVXBUUWBOTKP-UHFFFAOYSA-N"	"1750.0"	"3"	"4"	"FALSE"	"FALSE"
"2893"	"647-42-7"	"DTXSID5044572"	"3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol"	"EPA_DSSTox"	"OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	"OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	"?"	"InChI=1S/C8H5F13O/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h22H,1-2H2"	"GRJRKPMIRMSBNK-UHFFFAOYSA-N"	"1750.0"	"3"	"4"	"FALSE"	"FALSE"
"2894"	"104907-80-4"	"DTXSID40146830"	"Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)C1=C(N(C)N=C1)N1C=NC2=CC=CC=C2C1=O"	"CN1N=CC(=C1N1C=NC2C=CC=CC=2C1=O)C(=O)OCC"	"?"	"InChI=1S/C15H14N4O3/c1-3-22-15(21)11-8-17-18(2)13(11)19-9-16-12-7-5-4-6-10(12)14(19)20/h4-9H,3H2,1-2H3"	"ZJXGJCQDPGSRSC-UHFFFAOYSA-N"	"1760.0"	"3"	"4"	"FALSE"	"FALSE"
"2895"	"115-28-6"	"DTXSID2020268"	"Chlorendic acid"	"EPA_DSSTox"	"OC(=O)C1C(C(O)=O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl"	"OC(=O)C1C(C(O)=O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl"	"?"	"InChI=1S/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19)"	"DJKGDNKYTKCJKD-UHFFFAOYSA-N"	"1770.0"	"3"	"4"	"FALSE"	"FALSE"
"2896"	"509-09-1"	"DTXSID00883411"	"Propanoic acid, 2,2,3,3,3-pentafluoro-, silver(1+) salt (1:1)"	"EPA_DSSTox"	"[Ag+].[O-]C(=O)C(F)(F)C(F)(F)F"	"OC(=O)C(F)(F)C(F)(F)F"	"[Ag+]"	"InChI=1S/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)"	"LRMSQVBRUNSOJL-UHFFFAOYSA-N"	"1770.0"	"3"	"4"	"FALSE"	"FALSE"
"2897"	"16768-69-7"	"DTXSID4073411"	"1-Ethyl-1,2,3,4-tetrahydroquinoline"	"EPA_DSSTox"	"CCN1CCCC2=C1C=CC=C2"	"CCN1CCCC2C=CC=CC1=2"	"?"	"InChI=1S/C11H15N/c1-2-12-9-5-7-10-6-3-4-8-11(10)12/h3-4,6,8H,2,5,7,9H2,1H3"	"QYKOLWLKTJIVEX-UHFFFAOYSA-N"	"1777.0"	"3"	"4"	"FALSE"	"FALSE"
"2898"	"16773-42-5"	"DTXSID4045420"	"Ornidazole"	"EPA_DSSTox"	"CC1=NC=C(N1CC(O)CCl)[N+]([O-])=O"	"CC1=NC=C(N1CC(O)CCl)[N+]([O-])=O"	"?"	"InChI=1S/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3"	"IPWKIXLWTCNBKN-UHFFFAOYSA-N"	"1780.0"	"3"	"4"	"FALSE"	"FALSE"
"2899"	"5036-48-6"	"DTXSID7063685"	"1H-Imidazole-1-propanamine"	"EPA_DSSTox"	"NCCCN1C=CN=C1"	"NCCCN1C=NC=C1"	"?"	"InChI=1S/C6H11N3/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4,7H2"	"KDHWOCLBMVSZPG-UHFFFAOYSA-N"	"1780.0"	"3"	"4"	"FALSE"	"FALSE"
"2900"	"76840-11-4"	"DTXSID60227655"	"Pyridine, 2-methyl-, hexachloro deriv."	"EPA_DSSTox"	"ClC(Cl)C1=NC(Cl)=C(Cl)C(Cl)=C1Cl"	"ClC(Cl)C1=NC(Cl)=C(Cl)C(Cl)=C1Cl"	"?"	"InChI=1S/C6HCl6N/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h5H"	"YJBYHTLOGVFSDR-UHFFFAOYSA-N"	"1785.0"	"3"	"4"	"FALSE"	"FALSE"
"2901"	"109-08-0"	"DTXSID4047620"	"2-Methylpyrazine"	"EPA_DSSTox"	"CC1=NC=CN=C1"	"CC1C=NC=CN=1"	"?"	"InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3"	"CAWHJQAVHZEVTJ-UHFFFAOYSA-N"	"1800.0"	"3"	"4"	"FALSE"	"FALSE"
"2902"	"22304-30-9"	"DTXSID6022634"	"Azapropazone dihydrate"	"EPA_DSSTox"	"O.O.CCCC1C(=O)N2N(C1=O)C1=CC(C)=CC=C1N=C2N(C)C"	"CN(C)C1=NC2=CC=C(C)C=C2N2C(=O)C(CCC)C(=O)N21"	"O.O"	"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"	"1800.0"	"3"	"4"	"FALSE"	"FALSE"
"2903"	"27464-23-9"	"DTXSID60181884"	"Oxdralazine dihydrochloride"	"EPA_DSSTox"	"Cl.Cl.NNC1=NN=C(C=C1)N(CCO)CCO"	"NNC1C=CC(=NN=1)N(CCO)CCO"	"Cl.Cl"	"InChI=1S/C8H15N5O2/c9-10-7-1-2-8(12-11-7)13(3-5-14)4-6-15/h1-2,14-15H,3-6,9H2,(H,10,11)"	"POFDNYKJHWKGDU-UHFFFAOYSA-N"	"1800.0"	"3"	"4"	"FALSE"	"FALSE"
"2904"	"3347-62-4"	"DTXSID90187117"	"1H-Pyrazole,3-methyl-5-phenyl-"	"EPA_DSSTox"	"CC1=CC(=NN1)C1=CC=CC=C1"	"CC1=CC(=NN1)C1C=CC=CC=1"	"?"	"InChI=1S/C10H10N2/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)"	"QHRSESMSOJZMCO-UHFFFAOYSA-N"	"1800.0"	"3"	"4"	"FALSE"	"FALSE"
"2905"	"38821-52-2"	"DTXSID1046504"	"Indoramin hydrochloride"	"EPA_DSSTox"	"Cl.O=C(NC1CCN(CCC2=CNC3=C2C=CC=C3)CC1)C1=CC=CC=C1"	"O=C(NC1CCN(CCC2=CNC3C=CC=CC2=3)CC1)C1C=CC=CC=1"	"Cl"	"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"	"1800.0"	"3"	"4"	"FALSE"	"FALSE"
"2906"	"58-38-8"	"DTXSID7023514"	"Prochlorperazine"	"EPA_DSSTox"	"CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1"	"CN1CCN(CCCN2C3=CC=CC=C3SC3C=CC(Cl)=CC2=3)CC1"	"?"	"InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3"	"WIKYUJGCLQQFNW-UHFFFAOYSA-N"	"1800.0"	"3"	"4"	"FALSE"	"FALSE"
"2907"	"74-87-3"	"DTXSID0021541"	"Chloromethane"	"EPA_DSSTox"	"CCl"	"CCl"	"?"	"InChI=1S/CH3Cl/c1-2/h1H3"	"NEHMKBQYUWJMIP-UHFFFAOYSA-N"	"1800.0"	"3"	"4"	"FALSE"	"FALSE"
"2908"	"13758-99-1"			"Public_CrossChecked"	"[I-].[I-].C[N+]1(CC[N+]2(C)CC3C(C2)C2CCC3C=C2)CCCC1"	"C[N+]1(CC2C(C1)C1CCC2C=C1)CC[N+]1(C)CCCC1"	"[I-].[I-]"	"InChI=1S/C18H32N2/c1-19(9-3-4-10-19)11-12-20(2)13-17-15-5-6-16(8-7-15)18(17)14-20/h5-6,15-18H,3-4,7-14H2,1-2H3/q+2"	"OMVAFZOJTJKCRE-UHFFFAOYSA-N"	"1806.0"	"3"	"4"	"FALSE"	"FALSE"
"2909"	"332-69-4"			"Public_CrossChecked"	"CN(C)C(=O)CCNc1ccc(Br)cc1"	"CN(C)C(=O)CCNC1C=CC(Br)=CC=1"	"?"	"InChI=1S/C11H15BrN2O/c1-14(2)11(15)7-8-13-10-5-3-9(12)4-6-10/h3-6,13H,7-8H2,1-2H3"	"ICBQXEWYZVQCFH-UHFFFAOYSA-N"	"1810.0"	"3"	"4"	"FALSE"	"FALSE"
"2910"	"2142-68-9"	"DTXSID1062201"	"Ethanone, 1-(2-chlorophenyl)-"	"EPA_DSSTox"	"CC(=O)C1=C(Cl)C=CC=C1"	"CC(=O)C1C=CC=CC=1Cl"	"?"	"InChI=1S/C8H7ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3"	"ZDOYHCIRUPHUHN-UHFFFAOYSA-N"	"1820.0"	"3"	"4"	"FALSE"	"FALSE"
"2911"	"77-67-8"	"DTXSID7023019"	"Ethosuximide"	"EPA_DSSTox"	"CCC1(C)CC(=O)NC1=O"	"CCC1(C)CC(=O)NC1=O"	"?"	"InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)"	"HAPOVYFOVVWLRS-UHFFFAOYSA-N"	"1820.0"	"3"	"4"	"FALSE"	"FALSE"
"2912"	"34123-59-6"	"DTXSID1042077"	"Isoproturon"	"EPA_DSSTox"	"CC(C)C1=CC=C(NC(=O)N(C)C)C=C1"	"CC(C)C1C=CC(=CC=1)NC(=O)N(C)C"	"?"	"InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)"	"PUIYMUZLKQOUOZ-UHFFFAOYSA-N"	"1826.0"	"3"	"4"	"FALSE"	"FALSE"
"2913"	"116763-36-1"	"DTXSID40151505"	"Nestifylline"	"EPA_DSSTox"	"CN1C2=C(N(CC3SCCS3)C=N2)C(=O)N(C)C1=O"	"CN1C(=O)C2=C(N=CN2CC2SCCS2)N(C)C1=O"	"?"	"InChI=1S/C11H14N4O2S2/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"	"HIQUBRAKVZRBRW-UHFFFAOYSA-N"	"1835.0"	"3"	"4"	"FALSE"	"FALSE"
"2914"	"57499-93-1"			"Public_CrossChecked"	"CCCCOCC(C)OCC(C)OCC(C)O"	"CCCCOCC(C)OCC(C)OCC(C)O"	"?"	"InChI=1S/C13H28O4/c1-5-6-7-15-9-12(3)17-10-13(4)16-8-11(2)14/h11-14H,5-10H2,1-4H3"	"LORVPHHKJFSORQ-UHFFFAOYSA-N"	"1840.0"	"3"	"4"	"FALSE"	"FALSE"
"2915"	"110690-43-2"	"DTXSID80149360"	"Emitefur"	"EPA_DSSTox"	"CCOCN1C=C(F)C(=O)N(C(=O)C2=CC(=CC=C2)C(=O)OC2=C(C=CC(OC(=O)C3=CC=CC=C3)=N2)C#N)C1=O"	"CCOCN1C=C(F)C(=O)N(C(=O)C2=CC(=CC=C2)C(=O)OC2=NC(=CC=C2C#N)OC(=O)C2C=CC=CC=2)C1=O"	"?"	"InChI=1S/C28H19FN4O8/c1-2-39-16-32-15-21(29)25(35)33(28(32)38)24(34)18-9-6-10-19(13-18)27(37)41-23-20(14-30)11-12-22(31-23)40-26(36)17-7-4-3-5-8-17/h3-13,15H,2,16H2,1H3"	"WTSKMKRYHATLLL-UHFFFAOYSA-N"	"1850.0"	"3"	"4"	"FALSE"	"FALSE"
"2916"	"27050-38-0"			"Public_CrossChecked"	"Clc1ccc(cc1Cl)N=C1CCCN1CC=C"	"C=CCN1CCCC1=NC1=CC(Cl)=C(Cl)C=C1"	"?"	"InChI=1S/C13H14Cl2N2/c1-2-7-17-8-3-4-13(17)16-10-5-6-11(14)12(15)9-10/h2,5-6,9H,1,3-4,7-8H2"	"YHWRSRGDHUYLIV-UHFFFAOYSA-N"	"1850.0"	"3"	"4"	"FALSE"	"FALSE"
"2917"	"551-08-6"	"DTXSID9060281"	"1(3H)-Isobenzofuranone, 3-butylidene-"	"EPA_DSSTox"	"CCCC=C1OC(=O)C2=C1C=CC=C2"	"CCCC=C1OC(=O)C2C=CC=CC=21"	"?"	"InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3"	"WMBOCUXXNSOQHM-UHFFFAOYSA-N"	"1850.0"	"3"	"4"	"FALSE"	"FALSE"
"2918"	"73138-27-9"	"DTXSID4050483"	"C12-14 tert-alkyl ethoxylated amines"	"EPA_DSSTox"	"CC(C)(N)CCCCCCCCCCOCCO"	"CC(C)(N)CCCCCCCCCCOCCO"	"?"	"InChI=1S/C15H33NO2/c1-15(2,16)11-9-7-5-3-4-6-8-10-13-18-14-12-17/h17H,3-14,16H2,1-2H3"	"YGJDHDADZBSSRW-UHFFFAOYSA-N"	"1850.0"	"3"	"4"	"FALSE"	"FALSE"
"2919"	"97-05-2"	"DTXSID7059145"	"Benzoic acid, 2-hydroxy-5-sulfo-"	"EPA_DSSTox"	"OC(=O)C1=C(O)C=CC(=C1)S(O)(=O)=O"	"OC(=O)C1C=C(C=CC=1O)S(O)(=O)=O"	"?"	"InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)"	"YCPXWRQRBFJBPZ-UHFFFAOYSA-N"	"1850.0"	"3"	"4"	"FALSE"	"FALSE"
"2920"	"34689-46-8"	"DTXSID5027984"	"Phenol, methyl-, sodium salt"	"EPA_DSSTox"	"[Na+].CC1=CC=CC=C1[O-]"	"CC1=CC=CC=C1O"	"[Na+]"	"InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3"	"QWVGKYWNOKOFNN-UHFFFAOYSA-N"	"1864.0"	"3"	"4"	"FALSE"	"FALSE"
"2921"	"2842-37-7"	"DTXSID40182632"	"Ethanol, 2-(phenethylamino)-"	"EPA_DSSTox"	"OCCNCCC1=CC=CC=C1"	"OCCNCCC1C=CC=CC=1"	"?"	"InChI=1S/C10H15NO/c12-9-8-11-7-6-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2"	"WPOHVHKEDGUEPZ-UHFFFAOYSA-N"	"1870.0"	"3"	"4"	"FALSE"	"FALSE"
"2922"	"71-23-8"	"DTXSID2021739"	"1-Propanol"	"EPA_DSSTox"	"CCCO"	"CCCO"	"?"	"InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3"	"BDERNNFJNOPAEC-UHFFFAOYSA-N"	"1870.0"	"3"	"4"	"FALSE"	"FALSE"
"2923"	"1020-76-4"			"Public_CrossChecked"	"Nc1nnc(C=Cc2ccc(o2)[N+]([O-])=O)s1"	"NC1=NN=C(C=CC2=CC=C(O2)[N+]([O-])=O)S1"	"?"	"InChI=1S/C8H6N4O3S/c9-8-11-10-6(16-8)3-1-5-2-4-7(15-5)12(13)14/h1-4H,(H2,9,11)"	"MGNMUKBSXWSYGL-UHFFFAOYSA-N"	"1875.0"	"3"	"4"	"FALSE"	"FALSE"
"2924"	"151-73-5"	"DTXSID8047137"	"Betamethasone 21-phosphate disodium"	"EPA_DSSTox"	"[Na+].[Na+].C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP([O-])([O-])=O"	"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COP(O)(O)=O"	"[Na+].[Na+]"	"InChI=1S/C22H30FO8P/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,(H2,28,29,30)"	"VQODGRNSFPNSQE-UHFFFAOYSA-N"	"1877.0"	"3"	"4"	"FALSE"	"FALSE"
"2925"	"35793-87-4"			"Public_CrossChecked"	"CCC1NC(=O)c2cc(N)ccc2O1"	"CCC1NC(=O)C2C=C(N)C=CC=2O1"	"?"	"InChI=1S/C10H12N2O2/c1-2-9-12-10(13)7-5-6(11)3-4-8(7)14-9/h3-5,9H,2,11H2,1H3,(H,12,13)"	"KFXTUQBOKKTTEP-UHFFFAOYSA-N"	"1890.0"	"3"	"4"	"FALSE"	"FALSE"
"2926"	"1158978-65-4"	"DTXSID60726855"	"4-(2,4-Dimethylheptan-3-yl)phenol"	"EPA_DSSTox"	"CCCC(C)C(C(C)C)C1=CC=C(O)C=C1"	"CC(C)C(C(C)CCC)C1=CC=C(O)C=C1"	"?"	"InChI=1S/C15H24O/c1-5-6-12(4)15(11(2)3)13-7-9-14(16)10-8-13/h7-12,15-16H,5-6H2,1-4H3"	"KQABNOBNXAJBFQ-UHFFFAOYSA-N"	"1900.0"	"3"	"4"	"FALSE"	"FALSE"
"2927"	"140-39-6"	"DTXSID0046567"	"4-Tolyl acetate"	"EPA_DSSTox"	"CC(=O)OC1=CC=C(C)C=C1"	"CC1C=CC(=CC=1)OC(C)=O"	"?"	"InChI=1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3"	"CDJJKTLOZJAGIZ-UHFFFAOYSA-N"	"1900.0"	"3"	"4"	"FALSE"	"FALSE"
"2928"	"29387-86-8"	"DTXSID6029755"	"Propylene glycol monobutyl ether"	"EPA_DSSTox"	"CCCCOC(O)CC"	"CCCCOC(O)CC"	"?"	"InChI=1S/C7H16O2/c1-3-5-6-9-7(8)4-2/h7-8H,3-6H2,1-2H3"	"IDQBJILTOGBZCR-UHFFFAOYSA-N"	"1900.0"	"3"	"4"	"FALSE"	"FALSE"
"2929"	"46878-66-4"	"DTXSID40196971"	"Salicylamide, N,N-dimethyl-3-phenyl-"	"EPA_DSSTox"	"CN(C)C(=O)C1=CC=CC(C2=CC=CC=C2)=C1O"	"CN(C)C(=O)C1=CC=CC(=C1O)C1C=CC=CC=1"	"?"	"InChI=1S/C15H15NO2/c1-16(2)15(18)13-10-6-9-12(14(13)17)11-7-4-3-5-8-11/h3-10,17H,1-2H3"	"FFHMRUWVKUUENH-UHFFFAOYSA-N"	"1900.0"	"3"	"4"	"FALSE"	"FALSE"
"2930"	"7246-20-0"			"Public_CrossChecked"	"[Na+].OP([O-])(=O)OCC(Cl)(Cl)Cl"	"OP(O)(=O)OCC(Cl)(Cl)Cl"	"[Na+]"	"InChI=1S/C2H4Cl3O4P/c3-2(4,5)1-9-10(6,7)8/h1H2,(H2,6,7,8)"	"YYQRGCZGSFRBAM-UHFFFAOYSA-N"	"1900.0"	"3"	"4"	"FALSE"	"FALSE"
"2931"	"52-88-0"	"DTXSID0045543"	"Methylatropine nitrate"	"EPA_DSSTox"	"[O-][N+]([O-])=O.C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1"	"C[N+]1(C)C2CC(CC1CC2)OC(=O)C(CO)C1C=CC=CC=1"	"[O-][N+]([O-])=O"	"InChI=1S/C18H26NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13/h3-7,14-17,20H,8-12H2,1-2H3/q+1"	"PIPAJLPNWZMYQA-UHFFFAOYSA-N"	"1902.0"	"3"	"4"	"FALSE"	"FALSE"
"2932"	"1531-99-3"	"DTXSID40165223"	"Butanoic acid, 4-(1-piperidinyl)cyclohexyl ester (9CI)"	"EPA_DSSTox"	"CCCC(=O)OC1CCC(CC1)N1CCCCC1"	"CCCC(=O)OC1CCC(CC1)N1CCCCC1"	"?"	"InChI=1S/C15H27NO2/c1-2-6-15(17)18-14-9-7-13(8-10-14)16-11-4-3-5-12-16/h13-14H,2-12H2,1H3"	"CIWYNCKUHLVFKX-UHFFFAOYSA-N"	"1910.0"	"3"	"4"	"FALSE"	"FALSE"
"2933"	"104-93-8"	"DTXSID9026710"	"1-Methoxy-4-methylbenzene"	"EPA_DSSTox"	"COC1=CC=C(C)C=C1"	"CC1C=CC(=CC=1)OC"	"?"	"InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3"	"CHLICZRVGGXEOD-UHFFFAOYSA-N"	"1920.0"	"3"	"4"	"FALSE"	"FALSE"
"2934"	"1582-09-8"	"DTXSID4021395"	"Trifluralin"	"EPA_DSSTox"	"CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O"	"CCCN(CCC)C1C(=CC(=CC=1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O"	"?"	"InChI=1S/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3"	"ZSDSQXJSNMTJDA-UHFFFAOYSA-N"	"1930.0"	"3"	"4"	"FALSE"	"FALSE"
"2935"	"105-59-9"	"DTXSID8025591"	"N-Methyldiethanolamine"	"EPA_DSSTox"	"CN(CCO)CCO"	"CN(CCO)CCO"	"?"	"InChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3"	"CRVGTESFCCXCTH-UHFFFAOYSA-N"	"1945.0"	"3"	"4"	"FALSE"	"FALSE"
"2936"	"103-18-4"	"DTXSID7059270"	"Phenol, 4-[(4-aminophenyl)azo]-"	"EPA_DSSTox"	"NC1=CC=C(C=C1)N=NC1=CC=C(O)C=C1"	"NC1C=CC(=CC=1)N=NC1C=CC(O)=CC=1"	"?"	"InChI=1S/C12H11N3O/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(16)8-6-11/h1-8,16H,13H2"	"NCKPQOUTAMSEAO-UHFFFAOYSA-N"	"1950.0"	"3"	"4"	"FALSE"	"FALSE"
"2937"	"1531-94-8"	"DTXSID60165220"	"Cyclohexanol, 4-piperidino-, acetate (ester)"	"EPA_DSSTox"	"CC(=O)OC1CCC(CC1)N1CCCCC1"	"CC(=O)OC1CCC(CC1)N1CCCCC1"	"?"	"InChI=1S/C13H23NO2/c1-11(15)16-13-7-5-12(6-8-13)14-9-3-2-4-10-14/h12-13H,2-10H2,1H3"	"HCDGMLMWTNNERJ-UHFFFAOYSA-N"	"1950.0"	"3"	"4"	"FALSE"	"FALSE"
"2938"	"504-90-5"	"DTXSID00198451"	"Disulfide, bis(thiocarbamoyl)"	"EPA_DSSTox"	"NC(=S)SSC(N)=S"	"NC(=S)SSC(N)=S"	"?"	"InChI=1S/C2H4N2S4/c3-1(5)7-8-2(4)6/h(H2,3,5)(H2,4,6)"	"CSNJTIWCTNEOSW-UHFFFAOYSA-N"	"1950.0"	"3"	"4"	"FALSE"	"FALSE"
"2939"	"94-59-7"	"DTXSID0021254"	"Safrole"	"EPA_DSSTox"	"C=CCC1=CC=C2OCOC2=C1"	"C=CCC1C=C2OCOC2=CC=1"	"?"	"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2"	"ZMQAAUBTXCXRIC-UHFFFAOYSA-N"	"1950.0"	"3"	"4"	"FALSE"	"FALSE"
"2940"	"12224-02-1"	"DTXSID40889598"	"Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, sodium salt (1:4)"	"EPA_DSSTox"	"[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].OCCN(CCO)C1=NC(NC2=CC(=C(C=CC3=C(C=C(NC4=NC(=NC(NC5=CC(=CC=C5)S([O-])(=O)=O)=N4)N(CCO)CCO)C=C3)S([O-])(=O)=O)C=C2)S([O-])(=O)=O)=NC(NC2=CC(=CC=C2)S([O-])(=O)=O)=N1"	"OS(=O)(=O)C1=CC(=CC=C1C=CC1=CC=C(C=C1S(O)(=O)=O)NC1=NC(NC2C=C(C=CC=2)S(O)(=O)=O)=NC(=N1)N(CCO)CCO)NC1N=C(NC2C=C(C=CC=2)S(O)(=O)=O)N=C(N=1)N(CCO)CCO"	"[Na+].[Na+].[Na+]"	"InChI=1S/C40H44N12O16S4/c53-17-13-51(14-18-54)39-47-35(41-27-3-1-5-31(21-27)69(57,58)59)45-37(49-39)43-29-11-9-25(33(23-29)71(63,64)65)7-8-26-10-12-30(24-34(26)72(66,67)68)44-38-46-36(48-40(50-38)52(15-19-55)16-20-56)42-28-4-2-6-32(22-28)70(60,61)62/h1-12,21-24,53-56H,13-20H2,(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)"	"NCIZQSIIFQYLMW-UHFFFAOYSA-N"	"1960.0"	"3"	"4"	"FALSE"	"FALSE"
"2941"	"5807-56-7"			"Public_CrossChecked"	"[Cl-].CCOc1ccc(Cc2[nH+]c(C)cc3cc(OC)c(OC)cc23)cc1OC"	"CC1=CC2C=C(OC)C(=CC=2C(CC2=CC(OC)=C(C=C2)OCC)=N1)OC"	"[Cl-]"	"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"	"1961.0"	"3"	"4"	"FALSE"	"FALSE"
"2942"	"86433-39-8"	"DTXSID30235540"	"Terflavoxate hydrochloride"	"EPA_DSSTox"	"Cl.CC1=C(OC2=C(C=CC=C2C(=O)OC(C)(C)CN2CCCCC2)C1=O)C1=CC=CC=C1"	"CC1C(=O)C2C=CC=C(C(=O)OC(C)(C)CN3CCCCC3)C=2OC=1C1C=CC=CC=1"	"Cl"	"InChI=1S/C26H29NO4/c1-18-22(28)20-13-10-14-21(24(20)30-23(18)19-11-6-4-7-12-19)25(29)31-26(2,3)17-27-15-8-5-9-16-27/h4,6-7,10-14H,5,8-9,15-17H2,1-3H3"	"VQTYZZPDAFGNCK-UHFFFAOYSA-N"	"1977.0"	"3"	"4"	"FALSE"	"FALSE"
"2943"	"54915-62-7"	"DTXSID80203431"	"2-Furancarbamic acid, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)NC1=CC=CO1"	"CCOC(=O)NC1=CC=CO1"	"?"	"InChI=1S/C7H9NO3/c1-2-10-7(9)8-6-4-3-5-11-6/h3-5H,2H2,1H3,(H,8,9)"	"FFAOPAGWHYEZPI-UHFFFAOYSA-N"	"1985.0"	"3"	"4"	"FALSE"	"FALSE"
"2944"	"311-28-4"	"DTXSID30878092"	"1-Butanaminium, N,N,N-tributyl-, iodide"	"EPA_DSSTox"	"[I-].CCCC[N+](CCCC)(CCCC)CCCC"	"CCCC[N+](CCCC)(CCCC)CCCC"	"[I-]"	"InChI=1S/C16H36N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1"	"DZLFLBLQUQXARW-UHFFFAOYSA-N"	"1990.0"	"3"	"4"	"FALSE"	"FALSE"
"2945"	"102207-75-0"	"DTXSID80144794"	"Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)-"	"EPA_DSSTox"	"CCN(CC)CCOC1=NC(N)=NC=C1"	"CCN(CCOC1C=CN=C(N)N=1)CC"	"?"	"InChI=1S/C10H18N4O/c1-3-14(4-2)7-8-15-9-5-6-12-10(11)13-9/h5-6H,3-4,7-8H2,1-2H3,(H2,11,12,13)"	"WGNULDMOVQJCAF-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"2946"	"1112-77-2"			"Public_CrossChecked"	"CC[N+](C)(CC)CCO"	"C[N+](CCO)(CC)CC"	"?"	"InChI=1S/C7H18NO/c1-4-8(3,5-2)6-7-9/h9H,4-7H2,1-3H3/q+1"	"BKMLGCPWXVBXHY-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"2947"	"120-14-9"	"DTXSID7026285"	"Veratraldehyde"	"EPA_DSSTox"	"COC1=CC=C(C=O)C=C1OC"	"COC1=CC=C(C=O)C=C1OC"	"?"	"InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3"	"WJUFSDZVCOTFON-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"2948"	"13764-35-7"	"DTXSID40160253"	"RP 7360"	"EPA_DSSTox"	"CCN(CC)CCSC(=S)N1C2=CC=CC=C2SC2=CC=CC=C12"	"CCN(CCSC(=S)N1C2C=CC=CC=2SC2C=CC=CC1=2)CC"	"?"	"InChI=1S/C19H22N2S3/c1-3-20(4-2)13-14-23-19(22)21-15-9-5-7-11-17(15)24-18-12-8-6-10-16(18)21/h5-12H,3-4,13-14H2,1-2H3"	"MICZDVBNDKRSSR-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"2949"	"163802-53-7"	"DTXSID30889042"	"2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (2E,4E)-"	"EPA_DSSTox"	"CO[Si](CCCOC(=O)\C=C\C=C\C)(OC)OC"	"CC=CC=CC(=O)OCCC[Si](OC)(OC)OC"	"?"	"InChI=1S/C12H22O5Si/c1-5-6-7-9-12(13)17-10-8-11-18(14-2,15-3)16-4/h5-7,9H,8,10-11H2,1-4H3"	"BEEJHAQLEWGNOO-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"2950"	"18530-56-8"	"DTXSID6040292"	"Norea"	"EPA_DSSTox"	"CN(C)C(=O)N[C@@H]1C[C@@H]2C[C@H]1[C@@H]1CCC[C@H]21"	"CN(C)C(=O)NC1CC2CC1C1CCCC21"	"?"	"InChI=1S/C13H22N2O/c1-15(2)13(16)14-12-7-8-6-11(12)10-5-3-4-9(8)10/h8-12H,3-7H2,1-2H3,(H,14,16)"	"YGLMVCVJLXREAK-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"2951"	"1953-89-5"	"DTXSID60173188"	"Benzamide, 2,6-dichloro-N-(hydroxymethyl)thio-"	"EPA_DSSTox"	"OCNC(=S)C1=C(Cl)C=CC=C1Cl"	"OCNC(=S)C1C(Cl)=CC=CC=1Cl"	"?"	"InChI=1S/C8H7Cl2NOS/c9-5-2-1-3-6(10)7(5)8(13)11-4-12/h1-3,12H,4H2,(H,11,13)"	"XRONASRTKCDKMP-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"2952"	"206-44-0"	"DTXSID3024104"	"Fluoranthene"	"EPA_DSSTox"	"C1=CC2=C(C=C1)C1=C3C2=CC=CC3=CC=C1"	"C1=CC=C2C=CC=C3C2=C1C1=CC=CC=C31"	"?"	"InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H"	"GVEPBJHOBDJJJI-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"2953"	"24579-73-5"	"DTXSID1040295"	"Propamocarb"	"EPA_DSSTox"	"CCCOC(=O)NCCCN(C)C"	"CCCOC(=O)NCCCN(C)C"	"?"	"InChI=1S/C9H20N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12)"	"WZZLDXDUQPOXNW-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"2954"	"260-94-6"	"DTXSID8059766"	"Acridine"	"EPA_DSSTox"	"C1=CC2=CC3=CC=CC=C3N=C2C=C1"	"C1=C2C=CC=CC2=NC2=CC=CC=C21"	"?"	"InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H"	"DZBUGLKDJFMEHC-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"2955"	"2894-67-9"	"DTXSID70183137"	"Delorazepam"	"EPA_DSSTox"	"ClC1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2Cl)C=C1"	"O=C1CN=C(C2C=C(Cl)C=CC=2N1)C1C=CC=CC=1Cl"	"?"	"InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)"	"CHIFCDOIPRCHCF-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"2956"	"3087-16-9"	"DTXSID4046577"	"Acid green 50"	"EPA_DSSTox"	"[Na+].CN(C)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](C)C)C1=C2C=CC(=CC2=CC(=C1O)S([O-])(=O)=O)S([O-])(=O)=O"	"CN(C)C1C=CC(=CC=1)C(C1C2=CC=C(C=C2C=C(C=1O)S(O)(=O)=O)S(O)(=O)=O)=C1C=CC(C=C1)=[N+](C)C"	"[Na+]"	"InChI=1S/C27H26N2O7S2/c1-28(2)20-9-5-17(6-10-20)25(18-7-11-21(12-8-18)29(3)4)26-23-14-13-22(37(31,32)33)15-19(23)16-24(27(26)30)38(34,35)36/h5-16H,1-4H3,(H2,31,32,33,34,35,36)/p+1"	"QEFJYMFUMVHTBR-UHFFFAOYSA-O"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"2957"	"33878-52-3"			"Public_CrossChecked"	"CCOC(=O)[C@H](C)Nc1ccc(Cl)c(Cl)c1"	"CCOC(=O)C(C)NC1=CC(Cl)=C(Cl)C=C1"	"?"	"InChI=1S/C11H13Cl2NO2/c1-3-16-11(15)7(2)14-8-4-5-9(12)10(13)6-8/h4-7,14H,3H2,1-2H3"	"TUFYEVMTXRPQQK-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"2958"	"35604-67-2"	"DTXSID8057722"	"Viloxazine hydrochloride"	"EPA_DSSTox"	"Cl.CCOC1=C(OCC2CNCCO2)C=CC=C1"	"CCOC1C=CC=CC=1OCC1CNCCO1"	"Cl"	"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"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"2959"	"4412-09-3"	"DTXSID8041533"	"5,5'-Oxybis[3,4-dichloro-2(5H)-furanone]"	"EPA_DSSTox"	"ClC1=C(Cl)C(=O)OC1OC1OC(=O)C(Cl)=C1Cl"	"O=C1OC(OC2OC(=O)C(Cl)=C2Cl)C(Cl)=C1Cl"	"?"	"InChI=1S/C8H2Cl4O5/c9-1-3(11)7(15-5(1)13)17-8-4(12)2(10)6(14)16-8/h7-8H"	"PESQEUXEQYJQCC-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"2960"	"51423-20-2"			"Public_CrossChecked"	"COc1ccc2C(C(c3ccccc3)C(C)(C)Oc2c1)c1ccc(OCCN2CCCC2)cc1"	"COC1=CC2OC(C)(C)C(C(C=2C=C1)C1C=CC(=CC=1)OCCN1CCCC1)C1C=CC=CC=1"	"?"	"InChI=1S/C30H35NO3/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/h4-6,9-16,21,28-29H,7-8,17-20H2,1-3H3"	"XZEUAXYWNKYKPL-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"2961"	"563-54-2"	"DTXSID2060337"	"1,2-Dichloropropene"	"EPA_DSSTox"	"CC(Cl)=CCl"	"CC(Cl)=CCl"	"?"	"InChI=1S/C3H4Cl2/c1-3(5)2-4/h2H,1H3"	"PPKPKFIWDXDAGC-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"2962"	"63867-10-7"	"DTXSID80213297"	"Butyric acid, 2-chloro-2-ethyl-, trichloroethyl ester"	"EPA_DSSTox"	"CCC(Cl)(CC)C(=O)OCC(Cl)(Cl)Cl"	"CCC(Cl)(CC)C(=O)OCC(Cl)(Cl)Cl"	"?"	"InChI=1S/C8H12Cl4O2/c1-3-7(9,4-2)6(13)14-5-8(10,11)12/h3-5H2,1-2H3"	"VCWJEHDQXIPHQM-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"2963"	"68-26-8"	"DTXSID3023556"	"Retinol"	"EPA_DSSTox"	"C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C"	"CC1CCCC(C)(C)C=1C=CC(C)=CC=CC(C)=CCO"	"?"	"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3"	"FPIPGXGPPPQFEQ-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"2964"	"72468-80-5"			"Public_CrossChecked"	"Cl.CN(C)CCCCOc1ccccc1C=Cc1ccccc1"	"CN(C)CCCCOC1C=CC=CC=1C=CC1C=CC=CC=1"	"Cl"	"InChI=1S/C20H25NO/c1-21(2)16-8-9-17-22-20-13-7-6-12-19(20)15-14-18-10-4-3-5-11-18/h3-7,10-15H,8-9,16-17H2,1-2H3"	"UBOMOXCJFCWPSI-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"2965"	"73953-73-8"	"DTXSID70224675"	"Urea, 1-cyclohexyl-3-(3,4-dimethoxybenzenesulfonyl)-"	"EPA_DSSTox"	"COC1=C(OC)C=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1"	"COC1=CC=C(C=C1OC)S(=O)(=O)NC(=O)NC1CCCCC1"	"?"	"InChI=1S/C15H22N2O5S/c1-21-13-9-8-12(10-14(13)22-2)23(19,20)17-15(18)16-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H2,16,17,18)"	"PAZRSWRNQCLLIG-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"2966"	"74764-93-5"			"Public_CrossChecked"	"[Cl-].CN(CC[NH+](C)C)n1cc(-c2ccccc2)c2cc(C)ccc12"	"CN(C)CCN(C)N1C=C(C2=CC(C)=CC=C12)C1C=CC=CC=1"	"[Cl-]"	"InChI=1S/C20H25N3/c1-16-10-11-20-18(14-16)19(17-8-6-5-7-9-17)15-23(20)22(4)13-12-21(2)3/h5-11,14-15H,12-13H2,1-4H3"	"WTKLXVFTECURNQ-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"2967"	"78-41-1"	"DTXSID6046507"	"Triparanol"	"EPA_DSSTox"	"CCN(CC)CCOC1=CC=C(C=C1)C(O)(CC1=CC=C(Cl)C=C1)C1=CC=C(C)C=C1"	"CC1C=CC(=CC=1)C(O)(CC1C=CC(Cl)=CC=1)C1C=CC(=CC=1)OCCN(CC)CC"	"?"	"InChI=1S/C27H32ClNO2/c1-4-29(5-2)18-19-31-26-16-12-24(13-17-26)27(30,23-10-6-21(3)7-11-23)20-22-8-14-25(28)15-9-22/h6-17,30H,4-5,18-20H2,1-3H3"	"SYHDSBBKRLVLFF-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"2968"	"8004-92-0"	"DTXSID0041721"	"C.I. Acid Yellow 3 disodium salt"	"EPA_DSSTox"	"[Na+].[Na+].[O-]S(=O)(=O)C1=CC(=C2N=C(C=CC2=C1)C1C(=O)C2=C(C=CC=C2)C1=O)S([O-])(=O)=O"	"OS(=O)(=O)C1=CC2C=CC(=NC=2C(=C1)S(O)(=O)=O)C1C(=O)C2C=CC=CC=2C1=O"	"[Na+].[Na+]"	"InChI=1S/C18H11NO8S2/c20-17-11-3-1-2-4-12(11)18(21)15(17)13-6-5-9-7-10(28(22,23)24)8-14(16(9)19-13)29(25,26)27/h1-8,15H,(H,22,23,24)(H,25,26,27)"	"OESPFRYVCUTRKF-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"2969"	"846-50-4"	"DTXSID8021309"	"Temazepam"	"EPA_DSSTox"	"CN1C2=CC=C(Cl)C=C2C(=NC(O)C1=O)C1=CC=CC=C1"	"CN1C(=O)C(O)N=C(C2C=C(Cl)C=CC1=2)C1C=CC=CC=1"	"?"	"InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3"	"SEQDDYPDSLOBDC-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"2970"	"87798-88-7"	"DTXSID60236641"	"Theobromine, 1-(2-(4-(2,3-dimethylphenyl)-1-piperazinyl)ethyl)-, dihydrochloride"	"EPA_DSSTox"	"Cl.Cl.CN1C=NC2=C1C(=O)N(CCN1CCN(CC1)C1=CC=CC(C)=C1C)C(=O)N2C"	"CC1C(=CC=CC=1C)N1CCN(CCN2C(=O)C3=C(N=CN3C)N(C)C2=O)CC1"	"Cl.Cl"	"InChI=1S/C21H28N6O2/c1-15-6-5-7-17(16(15)2)26-11-8-25(9-12-26)10-13-27-20(28)18-19(22-14-23(18)3)24(4)21(27)29/h5-7,14H,8-13H2,1-4H3"	"OFSGKTQHYCPFDM-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"2971"	"88949-33-1"			"Public_CrossChecked"	"O=C1NC(=C2C(=O)NC(=C12)c1ccc(cc1)-c1ccccc1)c1ccc(cc1)-c1ccccc1"	"O=C1N=C(C2C1=C(NC2=O)C1C=CC(=CC=1)C1C=CC=CC=1)C1C=CC(=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C30H20N2O2/c33-29-25-26(28(32-29)24-17-13-22(14-18-24)20-9-5-2-6-10-20)30(34)31-27(25)23-15-11-21(12-16-23)19-7-3-1-4-8-19/h1-18,25H,(H,32,33)"	"PILFPAPKIZPSIA-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"2972"	"90932-92-6"	"DTXSID40238325"	"Alfa-1081"	"EPA_DSSTox"	"CC(C)(OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1)C(=O)NCCS([O-])(=O)=O"	"CC(C)(OC1C=CC(=CC=1)C(=O)C1C=CC(Cl)=CC=1)C(=O)NCCS(O)(=O)=O"	"?"	"InChI=1S/C19H20ClNO6S/c1-19(2,18(23)21-11-12-28(24,25)26)27-16-9-5-14(6-10-16)17(22)13-3-7-15(20)8-4-13/h3-10H,11-12H2,1-2H3,(H,21,23)(H,24,25,26)"	"IYNIXDBLAVOMAW-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"2973"	"96567-81-6"	"DTXSID20242329"	"2H-1-Benzopyran-2-one, 6-((dimethylamino)methyl)-7-hydroxy-4-methyl-8-(2-propenyl)-, hydrochloride"	"EPA_DSSTox"	"Cl.CN(C)CC1=CC2=C(OC(=O)C=C2C)C(CC=C)=C1O"	"CC1=CC(=O)OC2C1=CC(CN(C)C)=C(O)C=2CC=C"	"Cl"	"InChI=1S/C16H19NO3/c1-5-6-12-15(19)11(9-17(3)4)8-13-10(2)7-14(18)20-16(12)13/h5,7-8,19H,1,6,9H2,2-4H3"	"QUARHORHZVAMTC-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"2974"	"6425-39-4"	"DTXSID9042170"	"4,4'-(Oxydiethylene)bis(morpholine)"	"EPA_DSSTox"	"C(CN1CCOCC1)OCCN1CCOCC1"	"C1COCCN1CCOCCN1CCOCC1"	"?"	"InChI=1S/C12H24N2O3/c1-7-15-8-2-13(1)5-11-17-12-6-14-3-9-16-10-4-14/h1-12H2"	"ZMSQJSMSLXVTKN-UHFFFAOYSA-N"	"2025.0"	"3"	"5"	"FALSE"	"TRUE"
"2975"	"54395-36-7"	"DTXSID9073549"	"1H-Isoindole-1,3(2H)-dione, 2-butyl-4-nitro-"	"EPA_DSSTox"	"CCCCN1C(=O)C2=C(C1=O)C(=CC=C2)[N+]([O-])=O"	"CCCCN1C(=O)C2C=CC=C(C=2C1=O)[N+]([O-])=O"	"?"	"InChI=1S/C12H12N2O4/c1-2-3-7-13-11(15)8-5-4-6-9(14(17)18)10(8)12(13)16/h4-6H,2-3,7H2,1H3"	"OLOUZLFUNQCQEA-UHFFFAOYSA-N"	"2030.0"	"3"	"5"	"FALSE"	"TRUE"
"2976"	"20724-76-9"			"Public_CrossChecked"	"NCCCCCNCCSP(O)(O)=O"	"NCCCCCNCCSP(O)(O)=O"	"?"	"InChI=1S/C7H19N2O3PS/c8-4-2-1-3-5-9-6-7-14-13(10,11)12/h9H,1-8H2,(H2,10,11,12)"	"QFAVBLKMVBLZHV-UHFFFAOYSA-N"	"2037.0"	"3"	"5"	"FALSE"	"TRUE"
"2977"	"21436-98-6"	"DTXSID80175705"	"2,6-Xylidine hydrochloride"	"EPA_DSSTox"	"Cl.CC1=CC=CC(C)=C1N"	"CC1C=CC=C(C)C=1N"	"Cl"	"InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3"	"UFFBMTHBGFGIHF-UHFFFAOYSA-N"	"2042.0"	"3"	"5"	"FALSE"	"TRUE"
"2978"	"101-39-3"	"DTXSID4025587"	"alpha-Methyl cinnamaldehyde"	"EPA_DSSTox"	"CC(C=O)=CC1=CC=CC=C1"	"CC(=CC1C=CC=CC=1)C=O"	"?"	"InChI=1S/C10H10O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-8H,1H3"	"VLUMOWNVWOXZAU-UHFFFAOYSA-N"	"2050.0"	"3"	"5"	"FALSE"	"TRUE"
"2979"	"4948-28-1"	"DTXSID3027582"	"cis-2-Pinanol"	"EPA_DSSTox"	"CC1(C)[C@@H]2C[C@H]1[C@@](C)(O)CC2"	"CC1(C)C2CC1CCC2(C)O"	"?"	"InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,11)8(9)6-7/h7-8,11H,4-6H2,1-3H3"	"YYWZKGZIIKPPJZ-UHFFFAOYSA-N"	"2050.0"	"3"	"5"	"FALSE"	"TRUE"
"2980"	"129-81-7"	"DTXSID7046047"	"Iodoantipyrine"	"EPA_DSSTox"	"CN1N(C(=O)C(I)=C1C)C1=CC=CC=C1"	"CN1C(C)=C(I)C(=O)N1C1C=CC=CC=1"	"?"	"InChI=1S/C11H11IN2O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3"	"ZZOBLCHCPLOXCE-UHFFFAOYSA-N"	"2060.0"	"3"	"5"	"FALSE"	"TRUE"
"2981"	"66332-77-2"			"Public_CrossChecked"	"COc1ccccc1OC(=O)[C@H](C)c1ccc(CC(C)C)cc1"	"CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC1C=CC=CC=1OC"	"?"	"InChI=1S/C20H24O3/c1-14(2)13-16-9-11-17(12-10-16)15(3)20(21)23-19-8-6-5-7-18(19)22-4/h5-12,14-15H,13H2,1-4H3"	"FVRWRGBTEHAPDI-UHFFFAOYSA-N"	"2062.0"	"3"	"5"	"FALSE"	"TRUE"
"2982"	"80060-09-9"	"DTXSID1041845"	"Diafenthiuron"	"EPA_DSSTox"	"CC(C)C1=CC(OC2=CC=CC=C2)=CC(C(C)C)=C1NC(=S)NC(C)(C)C"	"CC(C)C1=CC(=CC(C(C)C)=C1NC(=S)NC(C)(C)C)OC1C=CC=CC=1"	"?"	"InChI=1S/C23H32N2OS/c1-15(2)19-13-18(26-17-11-9-8-10-12-17)14-20(16(3)4)21(19)24-22(27)25-23(5,6)7/h8-16H,1-7H3,(H2,24,25,27)"	"WOWBFOBYOAGEEA-UHFFFAOYSA-N"	"2068.0"	"3"	"5"	"FALSE"	"TRUE"
"2983"	"91-58-7"	"DTXSID8023971"	"2-Chloronaphthalene"	"EPA_DSSTox"	"ClC1=CC=C2C=CC=CC2=C1"	"ClC1C=C2C=CC=CC2=CC=1"	"?"	"InChI=1S/C10H7Cl/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H"	"CGYGETOMCSJHJU-UHFFFAOYSA-N"	"2078.0"	"3"	"5"	"FALSE"	"TRUE"
"2984"	"67704-50-1"			"Public_CrossChecked"	"Cl.CC(C)(CO)NCC(O)c1ccccc1"	"CC(C)(CO)NCC(O)C1C=CC=CC=1"	"Cl"	"InChI=1S/C12H19NO2/c1-12(2,9-14)13-8-11(15)10-6-4-3-5-7-10/h3-7,11,13-15H,8-9H2,1-2H3"	"PVOOBRUZWPQOER-UHFFFAOYSA-N"	"2080.0"	"3"	"5"	"FALSE"	"TRUE"
"2985"	"10031-82-0"	"DTXSID7022251"	"p-Ethoxybenzaldehyde"	"EPA_DSSTox"	"CCOC1=CC=C(C=O)C=C1"	"CCOC1C=CC(C=O)=CC=1"	"?"	"InChI=1S/C9H10O2/c1-2-11-9-5-3-8(7-10)4-6-9/h3-7H,2H2,1H3"	"JRHHJNMASOIRDS-UHFFFAOYSA-N"	"2100.0"	"3"	"5"	"FALSE"	"TRUE"
"2986"	"121-79-9"	"DTXSID5021201"	"Propyl gallate"	"EPA_DSSTox"	"CCCOC(=O)C1=CC(O)=C(O)C(O)=C1"	"CCCOC(=O)C1=CC(O)=C(O)C(O)=C1"	"?"	"InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3"	"ZTHYODDOHIVTJV-UHFFFAOYSA-N"	"2100.0"	"3"	"5"	"FALSE"	"TRUE"
"2987"	"30751-05-4"	"DTXSID2023725"	"Troxipide"	"EPA_DSSTox"	"COC1=CC(=CC(OC)=C1OC)C(=O)NC1CCCNC1"	"COC1C=C(C=C(OC)C=1OC)C(=O)NC1CNCCC1"	"?"	"InChI=1S/C15H22N2O4/c1-19-12-7-10(8-13(20-2)14(12)21-3)15(18)17-11-5-4-6-16-9-11/h7-8,11,16H,4-6,9H2,1-3H3,(H,17,18)"	"YSIITVVESCNIPR-UHFFFAOYSA-N"	"2100.0"	"3"	"5"	"FALSE"	"TRUE"
"2988"	"536-59-4"	"DTXSID4052180"	"4-Isopropenylcyclohex-1-en-1-ylmethanol"	"EPA_DSSTox"	"CC(=C)C1CCC(CO)=CC1"	"CC(=C)C1CCC(CO)=CC1"	"?"	"InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3"	"NDTYTMIUWGWIMO-UHFFFAOYSA-N"	"2100.0"	"3"	"5"	"FALSE"	"TRUE"
"2989"	"68690-90-4"	"DTXSID40218824"	"Benzylamine, N-nitroso-alpha,alpha,N-trimethyl-"	"EPA_DSSTox"	"CN(N=O)C(C)(C)C1=CC=CC=C1"	"CN(N=O)C(C)(C)C1C=CC=CC=1"	"?"	"InChI=1S/C10H14N2O/c1-10(2,12(3)11-13)9-7-5-4-6-8-9/h4-8H,1-3H3"	"BPBDCNHXICBGIK-UHFFFAOYSA-N"	"2100.0"	"3"	"5"	"FALSE"	"TRUE"
"2990"	"90503-68-7"	"DTXSID9073707"	"Acetamide, 2-chloro-N-(2-ethoxy-6-methylphenyl)-N-(propoxymethyl)-"	"EPA_DSSTox"	"CCCOCN(C(=O)CCl)C1=C(OCC)C=CC=C1C"	"CC1=CC=CC(OCC)=C1N(COCCC)C(=O)CCl"	"?"	"InChI=1S/C15H22ClNO3/c1-4-9-19-11-17(14(18)10-16)15-12(3)7-6-8-13(15)20-5-2/h6-8H,4-5,9-11H2,1-3H3"	"XQRHYWUNESOAQI-UHFFFAOYSA-N"	"2100.0"	"3"	"5"	"FALSE"	"TRUE"
"2991"	"1754-57-0"	"DTXSID20169981"	"Ethanamine, 2-hydrazino-N,N-dimethyl-"	"EPA_DSSTox"	"CN(C)CCNN"	"CN(C)CCNN"	"?"	"InChI=1S/C4H13N3/c1-7(2)4-3-6-5/h6H,3-5H2,1-2H3"	"XXYDEJAJDOABCE-UHFFFAOYSA-N"	"2110.0"	"3"	"5"	"FALSE"	"TRUE"
"2992"	"875-83-2"	"DTXSID20236369"	"2-Naphthol sodium salt"	"EPA_DSSTox"	"[Na+].[O-]C1=CC2=CC=CC=C2C=C1"	"OC1=CC2=CC=CC=C2C=C1"	"[Na+]"	"InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H"	"JWAZRIHNYRIHIV-UHFFFAOYSA-N"	"2120.0"	"3"	"5"	"FALSE"	"TRUE"
"2993"	"527-84-4"	"DTXSID1052165"	"1-Methyl-2-(propan-2-yl)benzene"	"EPA_DSSTox"	"CC(C)C1=C(C)C=CC=C1"	"CC1=CC=CC=C1C(C)C"	"?"	"InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3"	"WWRCMNKATXZARA-UHFFFAOYSA-N"	"2130.0"	"3"	"5"	"FALSE"	"TRUE"
"2994"	"16646-42-7"			"Public_CrossChecked"	"CC1(CCC=CC1)C(O)=O"	"CC1(CC=CCC1)C(O)=O"	"?"	"InChI=1S/C8H12O2/c1-8(7(9)10)5-3-2-4-6-8/h2-3H,4-6H2,1H3,(H,9,10)"	"FKOPGCJIAFSDAO-UHFFFAOYSA-N"	"2140.0"	"3"	"5"	"FALSE"	"TRUE"
"2995"	"62-68-0"	"DTXSID1045792"	"Proadifen hydrochloride"	"EPA_DSSTox"	"Cl.CCCC(C(=O)OCCN(CC)CC)(C1=CC=CC=C1)C1=CC=CC=C1"	"CCCC(C(=O)OCCN(CC)CC)(C1C=CC=CC=1)C1C=CC=CC=1"	"Cl"	"InChI=1S/C23H31NO2/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3/h7-16H,4-6,17-19H2,1-3H3"	"SNTQPLDRUZOSDP-UHFFFAOYSA-N"	"2140.0"	"3"	"5"	"FALSE"	"TRUE"
"2996"	"112733-08-1"	"DTXSID80150153"	"1(2H)-Quinazolineacetic acid, 3,4-dihydro-3-((4-bromo-2-fluorophenyl)methyl)-2,4-dioxo-7-fluoro-"	"EPA_DSSTox"	"OC(=O)CN1C(=O)N(CC2=C(F)C=C(Br)C=C2)C(=O)C2=C1C=C(F)C=C2"	"OC(=O)CN1C2C=C(F)C=CC=2C(=O)N(CC2C=CC(Br)=CC=2F)C1=O"	"?"	"InChI=1S/C17H11BrF2N2O4/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)"	"XLOHSVVOWVIPFC-UHFFFAOYSA-N"	"2144.0"	"3"	"5"	"FALSE"	"TRUE"
"2997"	"140-49-8"	"DTXSID4020294"	"4'-(Chloroacetyl)acetanilide"	"EPA_DSSTox"	"CC(=O)NC1=CC=C(C=C1)C(=O)CCl"	"CC(=O)NC1C=CC(=CC=1)C(=O)CCl"	"?"	"InChI=1S/C10H10ClNO2/c1-7(13)12-9-4-2-8(3-5-9)10(14)6-11/h2-5H,6H2,1H3,(H,12,13)"	"VMMDOCYDNRLESP-UHFFFAOYSA-N"	"2150.0"	"3"	"5"	"FALSE"	"TRUE"
"2998"	"26248-99-7"			"Public_CrossChecked"	"ClN1C2C(N(Cl)C1=O)N(Cl)C(=O)N2Cl"	"O=C1N(Cl)C2C(N(Cl)C(=O)N2Cl)N1Cl"	"?"	"InChI=1S/C4H2Cl4N4O2/c5-9-1-2(11(7)3(9)13)12(8)4(14)10(1)6/h1-2H"	"TWVLNKKMSLYUQQ-UHFFFAOYSA-N"	"2150.0"	"3"	"5"	"FALSE"	"TRUE"
"2999"	"3266-23-7"	"DTXSID5025239"	"2,3-Epoxybutane"	"EPA_DSSTox"	"CC1OC1C"	"CC1OC1C"	"?"	"InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3"	"PQXKWPLDPFFDJP-UHFFFAOYSA-N"	"2150.0"	"3"	"5"	"FALSE"	"TRUE"
"3000"	"65-22-5"	"DTXSID0058774"	"Pyridoxal hydrochloride"	"EPA_DSSTox"	"Cl.CC1=C(O)C(C=O)=C(CO)C=N1"	"CC1N=CC(CO)=C(C=O)C=1O"	"Cl"	"InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3"	"RADKZDMFGJYCBB-UHFFFAOYSA-N"	"2150.0"	"3"	"5"	"FALSE"	"TRUE"
"3001"	"74037-49-3"	"DTXSID90224854"	"Pyridine, 3,3'-dithiodimethylenedi-, dihydrochloride"	"EPA_DSSTox"	"Cl.Cl.C(SSCC1=CN=CC=C1)C1=CN=CC=C1"	"C(SSCC1=CN=CC=C1)C1=CN=CC=C1"	"Cl.Cl"	"InChI=1S/C12H12N2S2/c1-3-11(7-13-5-1)9-15-16-10-12-4-2-6-14-8-12/h1-8H,9-10H2"	"MKZXWJQNCUGVHR-UHFFFAOYSA-N"	"2150.0"	"3"	"5"	"FALSE"	"TRUE"
"3002"	"34887-26-8"			"Public_CrossChecked"	"CC1(C)CC(CC(C)(C)N1)N1C(C)(C)CC(N)CC1(C)C"	"CC1(C)CC(CC(C)(C)N1)N1C(C)(C)CC(N)CC1(C)C"	"?"	"InChI=1S/C18H37N3/c1-15(2)11-14(12-16(3,4)20-15)21-17(5,6)9-13(19)10-18(21,7)8/h13-14,20H,9-12,19H2,1-8H3"	"RAPUMONUZRIDMU-UHFFFAOYSA-N"	"2167.0"	"3"	"5"	"FALSE"	"TRUE"
"3003"	"4684-94-0"	"DTXSID7040289"	"6-Chloro-2-picolinic acid"	"EPA_DSSTox"	"OC(=O)C1=NC(Cl)=CC=C1"	"OC(=O)C1C=CC=C(Cl)N=1"	"?"	"InChI=1S/C6H4ClNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H,9,10)"	"ZLKMOIHCHCMSFW-UHFFFAOYSA-N"	"2180.0"	"3"	"5"	"FALSE"	"TRUE"
"3004"	"3710-84-7"	"DTXSID2027543"	"N,N-Diethylhydroxylamine"	"EPA_DSSTox"	"CCN(O)CC"	"CCN(O)CC"	"?"	"InChI=1S/C4H11NO/c1-3-5(6)4-2/h6H,3-4H2,1-2H3"	"FVCOIAYSJZGECG-UHFFFAOYSA-N"	"2190.0"	"3"	"5"	"FALSE"	"TRUE"
"3005"	"69327-76-0"	"DTXSID8034401"	"Buprofezin"	"EPA_DSSTox"	"CC(C)N1C(SCN(C1=O)C1=CC=CC=C1)=NC(C)(C)C"	"CC(C)N1C(=O)N(CSC1=NC(C)(C)C)C1C=CC=CC=1"	"?"	"InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3"	"PRLVTUNWOQKEAI-UHFFFAOYSA-N"	"2198.0"	"3"	"5"	"FALSE"	"TRUE"
"3006"	"116-09-6"	"DTXSID8051590"	"Hydroxyacetone"	"EPA_DSSTox"	"CC(=O)CO"	"CC(=O)CO"	"?"	"InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3"	"XLSMFKSTNGKWQX-UHFFFAOYSA-N"	"2200.0"	"3"	"5"	"FALSE"	"TRUE"
"3007"	"17274-12-3"	"DTXSID80169381"	"Benzoic acid, 2,3,5-triiodo-, sodium salt"	"EPA_DSSTox"	"[Na+].[O-]C(=O)C1=C(I)C(I)=CC(I)=C1"	"OC(=O)C1C=C(I)C=C(I)C=1I"	"[Na+]"	"InChI=1S/C7H3I3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)"	"ZMZGFLUUZLELNE-UHFFFAOYSA-N"	"2200.0"	"3"	"5"	"FALSE"	"TRUE"
"3008"	"25564-22-1"	"DTXSID6029331"	"2-Pentyl-2-cyclopenten-1-one"	"EPA_DSSTox"	"CCCCCC1=CCCC1=O"	"CCCCCC1=CCCC1=O"	"?"	"InChI=1S/C10H16O/c1-2-3-4-6-9-7-5-8-10(9)11/h7H,2-6,8H2,1H3"	"ILHZVKAXFCDFMT-UHFFFAOYSA-N"	"2200.0"	"3"	"5"	"FALSE"	"TRUE"
"3009"	"39754-64-8"			"Public_CrossChecked"	"S=C1NCCC(COc2ccccc2)O1"	"S=C1NCCC(COC2C=CC=CC=2)O1"	"?"	"InChI=1S/C11H13NO2S/c15-11-12-7-6-10(14-11)8-13-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,15)"	"NIPRGEWHJUTVQK-UHFFFAOYSA-N"	"2200.0"	"3"	"5"	"FALSE"	"TRUE"
"3010"	"620-02-0"	"DTXSID1060714"	"2-Furancarboxaldehyde, 5-methyl-"	"EPA_DSSTox"	"CC1=CC=C(O1)C=O"	"CC1=CC=C(C=O)O1"	"?"	"InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3"	"OUDFNZMQXZILJD-UHFFFAOYSA-N"	"2200.0"	"3"	"5"	"FALSE"	"TRUE"
"3011"	"804-30-8"	"DTXSID0023084"	"Fursultiamine"	"EPA_DSSTox"	"CC(N(CC1=C(N)N=C(C)N=C1)C=O)=C(CCO)SSCC1CCCO1"	"CC1=NC=C(CN(C=O)C(C)=C(CCO)SSCC2CCCO2)C(N)=N1"	"?"	"InChI=1S/C17H26N4O3S2/c1-12(16(5-6-22)26-25-10-15-4-3-7-24-15)21(11-23)9-14-8-19-13(2)20-17(14)18/h8,11,15,22H,3-7,9-10H2,1-2H3,(H2,18,19,20)"	"JTLXCMOFVBXEKD-UHFFFAOYSA-N"	"2200.0"	"3"	"5"	"FALSE"	"TRUE"
"3012"	"99-63-8"	"DTXSID3026641"	"1,3-Benzenedicarbonyl dichloride"	"EPA_DSSTox"	"ClC(=O)C1=CC(=CC=C1)C(Cl)=O"	"O=C(Cl)C1C=C(C=CC=1)C(=O)Cl"	"?"	"InChI=1S/C8H4Cl2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H"	"FDQSRULYDNDXQB-UHFFFAOYSA-N"	"2200.0"	"3"	"5"	"FALSE"	"TRUE"
"3013"	"19395-58-5"	"DTXSID60173007"	"Moquizone"	"EPA_DSSTox"	"O=C(CN1CCOCC1)N1CN(C(=O)C2=CC=CC=C12)C1=CC=CC=C1"	"O=C1C2C=CC=CC=2N(CN1C1C=CC=CC=1)C(=O)CN1CCOCC1"	"?"	"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"	"2220.0"	"3"	"5"	"FALSE"	"TRUE"
"3014"	"4531-49-1"	"DTXSID60863411"	"Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[N-(2-methoxyphenyl)-3-oxo-"	"EPA_DSSTox"	"COC1=CC=CC=C1NC(=O)C(N=NC1=CC=C(C=C1Cl)C1=CC(Cl)=C(C=C1)N=NC(C(C)=O)C(=O)NC1=CC=CC=C1OC)C(C)=O"	"CC(=O)C(N=NC1=CC=C(C=C1Cl)C1=CC(Cl)=C(C=C1)N=NC(C(=O)NC1C=CC=CC=1OC)C(C)=O)C(=O)NC1C=CC=CC=1OC"	"?"	"InChI=1S/C34H30Cl2N6O6/c1-19(43)31(33(45)37-27-9-5-7-11-29(27)47-3)41-39-25-15-13-21(17-23(25)35)22-14-16-26(24(36)18-22)40-42-32(20(2)44)34(46)38-28-10-6-8-12-30(28)48-4/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46)"	"VTGOEJALMFECDQ-UHFFFAOYSA-N"	"2228.0"	"3"	"5"	"FALSE"	"TRUE"
"3015"	"13450-77-6"	"DTXSID40158756"	"4-Chlorohippuric acid"	"EPA_DSSTox"	"OC(=O)CNC(=O)C1=CC=C(Cl)C=C1"	"OC(=O)CNC(=O)C1=CC=C(Cl)C=C1"	"?"	"InChI=1S/C9H8ClNO3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)"	"COYZIYOEXGRBHQ-UHFFFAOYSA-N"	"2230.0"	"3"	"5"	"FALSE"	"TRUE"
"3016"	"92-93-3"	"DTXSID9041522"	"4-Nitrobiphenyl"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC=C(C=C1)C1=CC=CC=C1"	"[O-][N+](=O)C1C=CC(=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C12H9NO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H"	"BAJQRLZAPXASRD-UHFFFAOYSA-N"	"2230.0"	"3"	"5"	"FALSE"	"TRUE"
"3017"	"135-98-8"	"DTXSID2022333"	"sec-Butylbenzene"	"EPA_DSSTox"	"CCC(C)C1=CC=CC=C1"	"CCC(C)C1C=CC=CC=1"	"?"	"InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3"	"ZJMWRROPUADPEA-UHFFFAOYSA-N"	"2240.0"	"3"	"5"	"FALSE"	"TRUE"
"3018"	"88019-89-0"	"DTXSID70236758"	"Heptanoic acid, 7-iodo-"	"EPA_DSSTox"	"OC(=O)CCCCCCI"	"OC(=O)CCCCCCI"	"?"	"InChI=1S/C7H13IO2/c8-6-4-2-1-3-5-7(9)10/h1-6H2,(H,9,10)"	"ZJMQLPOJWFYMME-UHFFFAOYSA-N"	"2240.0"	"3"	"5"	"FALSE"	"TRUE"
"3019"	"123-08-0"	"DTXSID8059552"	"p-Hydroxybenzaldehyde"	"EPA_DSSTox"	"OC1=CC=C(C=O)C=C1"	"OC1=CC=C(C=C1)C=O"	"?"	"InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H"	"RGHHSNMVTDWUBI-UHFFFAOYSA-N"	"2250.0"	"3"	"5"	"FALSE"	"TRUE"
"3020"	"54556-98-8"	"DTXSID1046847"	"Propiverine hydrochloride"	"EPA_DSSTox"	"Cl.CCCOC(C(=O)OC1CCN(C)CC1)(C1=CC=CC=C1)C1=CC=CC=C1"	"CCCOC(C(=O)OC1CCN(C)CC1)(C1=CC=CC=C1)C1=CC=CC=C1"	"Cl"	"InChI=1S/C23H29NO3/c1-3-18-26-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22(25)27-21-14-16-24(2)17-15-21/h4-13,21H,3,14-18H2,1-2H3"	"QPCVHQBVMYCJOM-UHFFFAOYSA-N"	"2250.0"	"3"	"5"	"FALSE"	"TRUE"
"3021"	"86703-02-8"			"Public_CrossChecked"	"Cl.Cc1ccc(C)n1Nc1ccc(nn1)N1CCOCC1"	"CC1=CC=C(C)N1NC1C=CC(=NN=1)N1CCOCC1"	"Cl"	"InChI=1S/C14H19N5O/c1-11-3-4-12(2)19(11)17-13-5-6-14(16-15-13)18-7-9-20-10-8-18/h3-6H,7-10H2,1-2H3,(H,15,17)"	"JBVCSNJKVNKDHK-UHFFFAOYSA-N"	"2250.0"	"3"	"5"	"FALSE"	"TRUE"
"3022"	"1401-55-4"	"DTXSID2026076"	"Tannic acid"	"EPA_DSSTox"	"OC1=CC(=CC(O)=C1O)C(=O)OC1=CC(=CC(O)=C1O)C(=O)OC[C@H]1O[C@@H](OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)[C@H](OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)[C@@H](OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)[C@@H]1OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1"	"OC1=C(C=C(C=C1O)C(=O)OC1C(OC(=O)C2C=C(O)C(O)=C(C=2)OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(COC(=O)C2C=C(O)C(O)=C(C=2)OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1C=C(O)C(O)=C(C=1)OC(=O)C1=CC(O)=C(O)C(O)=C1)OC(=O)C1C=C(O)C(O)=C(C=1)OC(=O)C1=CC(O)=C(O)C(O)=C1)OC(=O)C1=CC(O)=C(O)C(O)=C1"	"?"	"InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2"	"LRBQNJMCXXYXIU-UHFFFAOYSA-N"	"2260.0"	"3"	"5"	"FALSE"	"TRUE"
"3023"	"55635-13-7"	"DTXSID9047041"	"Alloxydim-sodium"	"EPA_DSSTox"	"[Na+].CCC\C(NOCC=C)=C1\C(=O)CC(C)(C)C(C(=O)OC)=C1[O-]"	"COC(=O)C1=C(O)C(=C(CCC)NOCC=C)C(=O)CC1(C)C"	"[Na+]"	"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/h7,18,20H,2,6,8-10H2,1,3-5H3"	"OSKVCTBASLBKQC-UHFFFAOYSA-N"	"2260.0"	"3"	"5"	"FALSE"	"TRUE"
"3024"	"1134-36-7"	"DTXSID8061553"	"[1,1'-Biphenyl]-4-ol, 3-amino-"	"EPA_DSSTox"	"NC1=C(O)C=CC(=C1)C1=CC=CC=C1"	"NC1C=C(C=CC=1O)C1C=CC=CC=1"	"?"	"InChI=1S/C12H11NO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H,13H2"	"IGIDZGNPFWGICD-UHFFFAOYSA-N"	"2262.0"	"3"	"5"	"FALSE"	"TRUE"
"3025"	"612-12-4"	"DTXSID7052284"	"1,2-Bis(chloromethyl)benzene"	"EPA_DSSTox"	"ClCC1=CC=CC=C1CCl"	"ClCC1C=CC=CC=1CCl"	"?"	"InChI=1S/C8H8Cl2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2"	"FMGGHNGKHRCJLL-UHFFFAOYSA-N"	"2263.0"	"3"	"5"	"FALSE"	"TRUE"
"3026"	"27016-91-7"	"DTXSID50181499"	"D 58SI"	"EPA_DSSTox"	"CNC(=O)N1C2=C(C=C(C=C2)[N+]([O-])=O)C(=NCC1=O)C1=CC=CC=C1"	"CNC(=O)N1C2C=CC(=CC=2C(=NCC1=O)C1C=CC=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C17H14N4O4/c1-18-17(23)20-14-8-7-12(21(24)25)9-13(14)16(19-10-15(20)22)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,23)"	"PDLWQTVMGHECQL-UHFFFAOYSA-N"	"2280.0"	"3"	"5"	"FALSE"	"TRUE"
"3027"	"7409-44-1"	"DTXSID10224997"	"Ethanol, 2-(heptyloxy)-"	"EPA_DSSTox"	"CCCCCCCOCCO"	"CCCCCCCOCCO"	"?"	"InChI=1S/C9H20O2/c1-2-3-4-5-6-8-11-9-7-10/h10H,2-9H2,1H3"	"QJTOHHRPYAVWOO-UHFFFAOYSA-N"	"2280.0"	"3"	"5"	"FALSE"	"TRUE"
"3028"	"31600-56-3"	"DTXSID90185491"	"Benzene, ((2-methoxyethoxy)methyl)-"	"EPA_DSSTox"	"COCCOCC1=CC=CC=C1"	"COCCOCC1C=CC=CC=1"	"?"	"InChI=1S/C10H14O2/c1-11-7-8-12-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3"	"XBSQOKFFZZKPFM-UHFFFAOYSA-N"	"2290.0"	"3"	"5"	"FALSE"	"TRUE"
"3029"	"625-95-6"	"DTXSID5060809"	"m-Iodotoluene"	"EPA_DSSTox"	"CC1=CC(I)=CC=C1"	"CC1=CC(I)=CC=C1"	"?"	"InChI=1S/C7H7I/c1-6-3-2-4-7(8)5-6/h2-5H,1H3"	"VLCPISYURGTGLP-UHFFFAOYSA-N"	"2296.0"	"3"	"5"	"FALSE"	"TRUE"
"3030"	"122-97-4"	"DTXSID6041638"	"3-Phenyl-1-propanol"	"EPA_DSSTox"	"OCCCC1=CC=CC=C1"	"OCCCC1C=CC=CC=1"	"?"	"InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2"	"VAJVDSVGBWFCLW-UHFFFAOYSA-N"	"2300.0"	"3"	"5"	"FALSE"	"TRUE"
"3031"	"21921-96-0"	"DTXSID5042166"	"Monoethyl propylphosphonate"	"EPA_DSSTox"	"CCCP(O)(=O)OCC"	"CCOP(O)(=O)CCC"	"?"	"InChI=1S/C5H13O3P/c1-3-5-9(6,7)8-4-2/h3-5H2,1-2H3,(H,6,7)"	"FJDJZPWIPLUDIZ-UHFFFAOYSA-N"	"2300.0"	"3"	"5"	"FALSE"	"TRUE"
"3032"	"35941-71-0"	"DTXSID6048757"	"Tiaramide hydrochloride"	"EPA_DSSTox"	"Cl.OCCN1CCN(CC1)C(=O)CN1C(=O)SC2=C1C=C(Cl)C=C2"	"OCCN1CCN(CC1)C(=O)CN1C2C=C(Cl)C=CC=2SC1=O"	"Cl"	"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"	"2300.0"	"3"	"5"	"FALSE"	"TRUE"
"3033"	"39236-85-6"	"DTXSID60192495"	"6-Hexyl-m-cresol"	"EPA_DSSTox"	"CCCCCCC1=C(O)C=C(C)C=C1"	"CC1C=CC(CCCCCC)=C(O)C=1"	"?"	"InChI=1S/C13H20O/c1-3-4-5-6-7-12-9-8-11(2)10-13(12)14/h8-10,14H,3-7H2,1-2H3"	"DYXAQDSLRRVGHL-UHFFFAOYSA-N"	"2300.0"	"3"	"5"	"FALSE"	"TRUE"
"3034"	"642-44-4"	"DTXSID00214403"	"Aminometradine"	"EPA_DSSTox"	"CCN1C(=O)C=C(N)N(CC=C)C1=O"	"CCN1C(=O)N(CC=C)C(N)=CC1=O"	"?"	"InChI=1S/C9H13N3O2/c1-3-5-12-7(10)6-8(13)11(4-2)9(12)14/h3,6H,1,4-5,10H2,2H3"	"NGXUUAFYUCOICP-UHFFFAOYSA-N"	"2300.0"	"3"	"5"	"FALSE"	"TRUE"
"3035"	"993-13-5"	"DTXSID5047748"	"Methyl phosphonic acid"	"EPA_DSSTox"	"CP(O)(O)=O"	"CP(O)(O)=O"	"?"	"InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)"	"YACKEPLHDIMKIO-UHFFFAOYSA-N"	"2300.0"	"3"	"5"	"FALSE"	"TRUE"
"3036"	"16006-73-8"	"DTXSID80166794"	"3-Pyrazolin-5-one, 1,2-diphenyl-3-hydroxy-4-(3-oxobutyl)-, benzoate (ester)"	"EPA_DSSTox"	"CC(=O)CCC1=C(OC(=O)C2=CC=CC=C2)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1"	"CC(=O)CCC1=C(OC(=O)C2C=CC=CC=2)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O"	"?"	"InChI=1S/C26H22N2O4/c1-19(29)17-18-23-24(30)27(21-13-7-3-8-14-21)28(22-15-9-4-10-16-22)25(23)32-26(31)20-11-5-2-6-12-20/h2-16H,17-18H2,1H3"	"WLUQXCUDFMPPSW-UHFFFAOYSA-N"	"2319.0"	"3"	"5"	"FALSE"	"TRUE"
"3037"	"10312-83-1"	"DTXSID90145651"	"2-Methoxyacetaldehyde"	"EPA_DSSTox"	"COCC=O"	"COCC=O"	"?"	"InChI=1S/C3H6O2/c1-5-3-2-4/h2H,3H2,1H3"	"YSEFYOVWKJXNCH-UHFFFAOYSA-N"	"2330.0"	"3"	"5"	"FALSE"	"TRUE"
"3038"	"85-68-7"	"DTXSID3020205"	"Butyl benzyl phthalate"	"EPA_DSSTox"	"CCCCOC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1"	"CCCCOC(=O)C1C=CC=CC=1C(=O)OCC1C=CC=CC=1"	"?"	"InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3"	"IRIAEXORFWYRCZ-UHFFFAOYSA-N"	"2330.0"	"3"	"5"	"FALSE"	"TRUE"
"3039"	"67-45-8"	"DTXSID4041997"	"Furazolidone"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC=C(O1)\C=N\N1CCOC1=O"	"[O-][N+](=O)C1=CC=C(C=NN2CCOC2=O)O1"	"?"	"InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2"	"PLHJDBGFXBMTGZ-UHFFFAOYSA-N"	"2336.0"	"3"	"5"	"FALSE"	"TRUE"
"3040"	"76280-91-6"	"DTXSID7058179"	"Tecloftalam"	"EPA_DSSTox"	"OC(=O)C1=C(C(O)=NC2=CC=CC(Cl)=C2Cl)C(Cl)=C(Cl)C(Cl)=C1Cl"	"O/C(=N\C1=CC=CC(Cl)=C1Cl)/C1=C(C(Cl)=C(Cl)C(Cl)=C1Cl)C(O)=O"	"?"	"InChI=1S/C14H5Cl6NO3/c15-4-2-1-3-5(8(4)16)21-13(22)6-7(14(23)24)10(18)12(20)11(19)9(6)17/h1-3H,(H,21,22)(H,23,24)"	"ROZUQUDEWZIBHV-UHFFFAOYSA-N"	"2340.0"	"3"	"5"	"FALSE"	"TRUE"
"3041"	"119600-43-0"			"Public_CrossChecked"	"Cl.CCN1CCc2c3C1CC=C(C(=O)OC)n3c1ccccc21"	"CCN1CCC2=C3C1CC=C(C(=O)OC)N3C1C=CC=CC2=1"	"Cl"	"InChI=1S/C18H20N2O2/c1-3-19-11-10-13-12-6-4-5-7-14(12)20-16(18(21)22-2)9-8-15(19)17(13)20/h4-7,9,15H,3,8,10-11H2,1-2H3"	"JWOSSISWAJNJIA-UHFFFAOYSA-N"	"2348.0"	"3"	"5"	"FALSE"	"TRUE"
"3042"	"5221-53-4"	"DTXSID8041874"	"Dimethirimol"	"EPA_DSSTox"	"CCCCC1=C(O)N=C(N=C1C)N(C)C"	"CC1=NC(=NC(O)=C1CCCC)N(C)C"	"?"	"InChI=1S/C11H19N3O/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,(H,12,13,15)"	"CJHXCRMKMMBYJQ-UHFFFAOYSA-N"	"2350.0"	"3"	"5"	"FALSE"	"TRUE"
"3043"	"117-14-6"	"DTXSID1059448"	"1,5-Anthracenedisulfonic acid, 9,10-dihydro-9,10-dioxo-"	"EPA_DSSTox"	"OS(=O)(=O)C1=CC=CC2=C1C(=O)C1=CC=CC(=C1C2=O)S(O)(=O)=O"	"OS(=O)(=O)C1=CC=CC2=C1C(=O)C1=CC=CC(=C1C2=O)S(O)(=O)=O"	"?"	"InChI=1S/C14H8O8S2/c15-13-7-3-1-5-9(23(17,18)19)11(7)14(16)8-4-2-6-10(12(8)13)24(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22)"	"OZTBHAGJSKTDGM-UHFFFAOYSA-N"	"2357.0"	"3"	"5"	"FALSE"	"TRUE"
"3044"	"74-31-7"	"DTXSID9020538"	"N,N'-Diphenyl-p-phenylenediamine"	"EPA_DSSTox"	"N(C1=CC=CC=C1)C1=CC=C(NC2=CC=CC=C2)C=C1"	"C1=CC(=CC=C1NC1C=CC=CC=1)NC1C=CC=CC=1"	"?"	"InChI=1S/C18H16N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14,19-20H"	"UTGQNNCQYDRXCH-UHFFFAOYSA-N"	"2370.0"	"3"	"5"	"FALSE"	"TRUE"
"3045"	"13614-98-7"	"DTXSID8044545"	"Minocycline hydrochloride"	"EPA_DSSTox"	"Cl.CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C(O)=CC=C4N(C)C)C(=O)C3=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O"	"CN(C)C1=CC=C(O)C2=C1CC1CC3C(C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C1C2=O)N(C)C"	"Cl"	"InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)"	"DYKFCLLONBREIL-UHFFFAOYSA-N"	"2380.0"	"3"	"5"	"FALSE"	"TRUE"
"3046"	"98-13-5"	"DTXSID5026621"	"Trichlorophenylsilane"	"EPA_DSSTox"	"Cl[Si](Cl)(Cl)C1=CC=CC=C1"	"Cl[Si](Cl)(Cl)C1C=CC=CC=1"	"?"	"InChI=1S/C6H5Cl3Si/c7-10(8,9)6-4-2-1-3-5-6/h1-5H"	"ORVMIVQULIKXCP-UHFFFAOYSA-N"	"2390.0"	"3"	"5"	"FALSE"	"TRUE"
"3047"	"136687-75-7"			"Public_CrossChecked"	"COc1ccccc1C1C(Cl)C(=O)N1c1ccccc1C(O)=O"	"COC1C=CC=CC=1C1C(Cl)C(=O)N1C1C=CC=CC=1C(O)=O"	"?"	"InChI=1S/C17H14ClNO4/c1-23-13-9-5-3-7-11(13)15-14(18)16(20)19(15)12-8-4-2-6-10(12)17(21)22/h2-9,14-15H,1H3,(H,21,22)"	"ASZAEPHBOWOTBP-UHFFFAOYSA-N"	"2400.0"	"3"	"5"	"FALSE"	"TRUE"
"3048"	"17003-79-1"	"DTXSID7066142"	"Ethane, 1,1'-[methylenebis(oxy)]bis[2-fluoro-2,2-dinitro-"	"EPA_DSSTox"	"[O-][N+](=O)C(F)(COCOCC(F)([N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O"	"[O-][N+](=O)C(F)(COCOCC(F)([N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C5H6F2N4O10/c6-4(8(12)13,9(14)15)1-20-3-21-2-5(7,10(16)17)11(18)19/h1-3H2"	"WSZPRLKJOJINEP-UHFFFAOYSA-N"	"2400.0"	"3"	"5"	"FALSE"	"TRUE"
"3049"	"27471-60-9"	"DTXSID30181896"	"Fenoxedil hydrochloride"	"EPA_DSSTox"	"Cl.CCCCOC1=CC=C(OCC(=O)N(CCN(CC)CC)C2=C(OCC)C=CC(OCC)=C2)C=C1"	"CCCCOC1C=CC(=CC=1)OCC(=O)N(CCN(CC)CC)C1C=C(C=CC=1OCC)OCC"	"Cl"	"InChI=1S/C28H42N2O5/c1-6-11-20-34-23-12-14-24(15-13-23)35-22-28(31)30(19-18-29(7-2)8-3)26-21-25(32-9-4)16-17-27(26)33-10-5/h12-17,21H,6-11,18-20,22H2,1-5H3"	"OBQUKWIVMOIRGG-UHFFFAOYSA-N"	"2400.0"	"3"	"5"	"FALSE"	"TRUE"
"3050"	"51-50-3"	"DTXSID20199001"	"Dibenamine"	"EPA_DSSTox"	"ClCCN(CC1=CC=CC=C1)CC1=CC=CC=C1"	"ClCCN(CC1C=CC=CC=1)CC1C=CC=CC=1"	"?"	"InChI=1S/C16H18ClN/c17-11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11-14H2"	"GSLWSSUWNCJILM-UHFFFAOYSA-N"	"2400.0"	"3"	"5"	"FALSE"	"TRUE"
"3051"	"58182-63-1"	"DTXSID40206908"	"Itanoxone"	"EPA_DSSTox"	"OC(=O)C(=C)CC(=O)C1=CC=C(C=C1)C1=CC=CC=C1Cl"	"C=C(CC(=O)C1C=CC(=CC=1)C1C=CC=CC=1Cl)C(O)=O"	"?"	"InChI=1S/C17H13ClO3/c1-11(17(20)21)10-16(19)13-8-6-12(7-9-13)14-4-2-3-5-15(14)18/h2-9H,1,10H2,(H,20,21)"	"HJWLWNLAIBFKDO-UHFFFAOYSA-N"	"2400.0"	"3"	"5"	"FALSE"	"TRUE"
"3052"	"7116-97-4"	"DTXSID40221353"	"1,1'-Biphenyl, 4-octyl-"	"EPA_DSSTox"	"CCCCCCCCC1=CC=C(C=C1)C1=CC=CC=C1"	"CCCCCCCCC1C=CC(=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C20H26/c1-2-3-4-5-6-8-11-18-14-16-20(17-15-18)19-12-9-7-10-13-19/h7,9-10,12-17H,2-6,8,11H2,1H3"	"KCLBLDDJJJNGBC-UHFFFAOYSA-N"	"2400.0"	"3"	"5"	"FALSE"	"TRUE"
"3053"	"92-06-8"	"DTXSID2029117"	"1,1':3',1''-Terphenyl"	"EPA_DSSTox"	"C1=CC=C(C=C1)C1=CC(=CC=C1)C1=CC=CC=C1"	"C1C(=CC=CC=1C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C18H14/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h1-14H"	"YJTKZCDBKVTVBY-UHFFFAOYSA-N"	"2400.0"	"3"	"5"	"FALSE"	"TRUE"
"3054"	"99-30-9"	"DTXSID2020426"	"Dicloran"	"EPA_DSSTox"	"NC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O"	"NC1C(Cl)=CC(=CC=1Cl)[N+]([O-])=O"	"?"	"InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2"	"BIXZHMJUSMUDOQ-UHFFFAOYSA-N"	"2400.0"	"3"	"5"	"FALSE"	"TRUE"
"3055"	"89-58-7"	"DTXSID2025137"	"1,4-Dimethyl-2-nitrobenzene"	"EPA_DSSTox"	"CC1=CC(=C(C)C=C1)[N+]([O-])=O"	"CC1=CC(=C(C)C=C1)[N+]([O-])=O"	"?"	"InChI=1S/C8H9NO2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3"	"BSFHJMGROOFSRA-UHFFFAOYSA-N"	"2440.0"	"3"	"5"	"FALSE"	"TRUE"
"3056"	"41826-92-0"	"DTXSID6046634"	"Trepibutone"	"EPA_DSSTox"	"CCOC1=CC(OCC)=C(C=C1OCC)C(=O)CCC(O)=O"	"CCOC1=CC(=C(C=C1OCC)OCC)C(=O)CCC(O)=O"	"?"	"InChI=1S/C16H22O6/c1-4-20-13-10-15(22-6-3)14(21-5-2)9-11(13)12(17)7-8-16(18)19/h9-10H,4-8H2,1-3H3,(H,18,19)"	"YPTFHLJNWSJXKG-UHFFFAOYSA-N"	"2450.0"	"3"	"5"	"FALSE"	"TRUE"
"3057"	"89-81-6"	"DTXSID7052604"	"Piperitone"	"EPA_DSSTox"	"CC(C)C1CCC(C)=CC1=O"	"CC1CCC(C(C)C)C(=O)C=1"	"?"	"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3"	"YSTPAHQEHQSRJD-UHFFFAOYSA-N"	"2450.0"	"3"	"5"	"FALSE"	"TRUE"
"3058"	"1331-54-0"			"Public_CrossChecked"	"CCCCC(CC)Cc1ccccc1O"	"CCCCC(CC1C=CC=CC=1O)CC"	"?"	"InChI=1S/C14H22O/c1-3-5-8-12(4-2)11-13-9-6-7-10-14(13)15/h6-7,9-10,12,15H,3-5,8,11H2,1-2H3"	"RRKBRXPIJHVKIC-UHFFFAOYSA-N"	"2460.0"	"3"	"5"	"FALSE"	"TRUE"
"3059"	"3278-46-4"	"DTXSID0041777"	"Chloropon"	"EPA_DSSTox"	"OC(=O)C(Cl)(Cl)CCl"	"OC(=O)C(Cl)(Cl)CCl"	"?"	"InChI=1S/C3H3Cl3O2/c4-1-3(5,6)2(7)8/h1H2,(H,7,8)"	"QZEKHJXYZSJVCL-UHFFFAOYSA-N"	"2460.0"	"3"	"5"	"FALSE"	"TRUE"
"3060"	"79-36-7"	"DTXSID6024965"	"Dichloroacetyl chloride"	"EPA_DSSTox"	"ClC(Cl)C(Cl)=O"	"O=C(Cl)C(Cl)Cl"	"?"	"InChI=1S/C2HCl3O/c3-1(4)2(5)6/h1H"	"FBCCMZVIWNDFMO-UHFFFAOYSA-N"	"2460.0"	"3"	"5"	"FALSE"	"TRUE"
"3061"	"26717-47-5"	"DTXSID1022841"	"Clofibride"	"EPA_DSSTox"	"CN(C)C(=O)CCCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1"	"CN(C)C(=O)CCCOC(=O)C(C)(C)OC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C16H22ClNO4/c1-16(2,22-13-9-7-12(17)8-10-13)15(20)21-11-5-6-14(19)18(3)4/h7-10H,5-6,11H2,1-4H3"	"CXQGFLBVUNUQIA-UHFFFAOYSA-N"	"2485.0"	"3"	"5"	"FALSE"	"TRUE"
"3062"	"33499-10-4"			"Public_CrossChecked"	"CCOC(=O)C1=CN(C2CCCC(C)N2C1=O)C(C)=O"	"CC(=O)N1C=C(C(=O)N2C1CCCC2C)C(=O)OCC"	"?"	"InChI=1S/C14H20N2O4/c1-4-20-14(19)11-8-15(10(3)17)12-7-5-6-9(2)16(12)13(11)18/h8-9,12H,4-7H2,1-3H3"	"BETJUMPNNQRXLG-UHFFFAOYSA-N"	"2495.0"	"3"	"5"	"FALSE"	"TRUE"
"3063"	"10453-89-1"	"DTXSID30871866"	"Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-"	"EPA_DSSTox"	"CC(C)=CC1C(C(O)=O)C1(C)C"	"CC(C)=CC1C(C(O)=O)C1(C)C"	"?"	"InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)"	"XLOPRKKSAJMMEW-UHFFFAOYSA-N"	"2500.0"	"3"	"5"	"FALSE"	"TRUE"
"3064"	"112-24-3"	"DTXSID9023702"	"Triethylenetetramine"	"EPA_DSSTox"	"NCCNCCNCCN"	"NCCNCCNCCN"	"?"	"InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2"	"VILCJCGEZXAXTO-UHFFFAOYSA-N"	"2500.0"	"3"	"5"	"FALSE"	"TRUE"
"3065"	"122-80-5"	"DTXSID7024455"	"4-Aminoacetanilide"	"EPA_DSSTox"	"CC(=O)NC1=CC=C(N)C=C1"	"CC(=O)NC1C=CC(N)=CC=1"	"?"	"InChI=1S/C8H10N2O/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)"	"CHMBIJAOCISYEW-UHFFFAOYSA-N"	"2500.0"	"3"	"5"	"FALSE"	"TRUE"
"3066"	"15205-68-2"	"DTXSID20164951"	"Acrylic acid, 2-(ethylthio)ethyl ester"	"EPA_DSSTox"	"CCSCCOC(=O)C=C"	"CCSCCOC(=O)C=C"	"?"	"InChI=1S/C7H12O2S/c1-3-7(8)9-5-6-10-4-2/h3H,1,4-6H2,2H3"	"AJJCQYIECZAJBB-UHFFFAOYSA-N"	"2500.0"	"3"	"5"	"FALSE"	"TRUE"
"3067"	"2409-55-4"	"DTXSID2020212"	"2-tert-Butyl-4-methylphenol"	"EPA_DSSTox"	"CC1=CC(=C(O)C=C1)C(C)(C)C"	"CC1C=CC(O)=C(C=1)C(C)(C)C"	"?"	"InChI=1S/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3"	"IKEHOXWJQXIQAG-UHFFFAOYSA-N"	"2500.0"	"3"	"5"	"FALSE"	"TRUE"
"3068"	"31717-87-0"	"DTXSID4034283"	"Dodemorph acetate"	"EPA_DSSTox"	"CC(O)=O.CC1CN(CC(C)O1)C1CCCCCCCCCCC1"	"CC1CN(CC(C)O1)C1CCCCCCCCCCC1"	"C(=O)(O)C"	"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"	"2500.0"	"3"	"5"	"FALSE"	"TRUE"
"3069"	"447-14-3"	"DTXSID1060003"	".alpha.,.beta.,.beta.-Trifluorostyrene"	"EPA_DSSTox"	"FC(F)=C(F)C1=CC=CC=C1"	"FC(F)=C(F)C1C=CC=CC=1"	"?"	"InChI=1S/C8H5F3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H"	"SUTQSIHGGHVXFK-UHFFFAOYSA-N"	"2500.0"	"3"	"5"	"FALSE"	"TRUE"
"3070"	"5251-79-6"	"DTXSID1058397"	"Ammonium benzadox"	"EPA_DSSTox"	"[NH4+].[O-]C(=O)CONC(=O)C1=CC=CC=C1"	"OC(=O)CONC(=O)C1C=CC=CC=1"	"[NH4+]"	"InChI=1S/C9H9NO4/c11-8(12)6-14-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)"	"WDRGQGLIUAMOOC-UHFFFAOYSA-N"	"2500.0"	"3"	"5"	"FALSE"	"TRUE"
"3071"	"598-55-0"	"DTXSID8020834"	"Methyl carbamate"	"EPA_DSSTox"	"COC(N)=O"	"COC(N)=O"	"?"	"InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)"	"GTCAXTIRRLKXRU-UHFFFAOYSA-N"	"2500.0"	"3"	"5"	"FALSE"	"TRUE"
"3072"	"621-82-9"	"DTXSID40110056"	"Cinnamic acid"	"EPA_DSSTox"	"OC(=O)C=CC1=CC=CC=C1"	"OC(=O)C=CC1C=CC=CC=1"	"?"	"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)"	"WBYWAXJHAXSJNI-UHFFFAOYSA-N"	"2500.0"	"3"	"5"	"FALSE"	"TRUE"
"3073"	"64059-42-3"	"DTXSID50214251"	"Acetic acid, 2-(8-chloromethyl-1-naphthylthio)-"	"EPA_DSSTox"	"OC(=O)CSC1=CC=CC2=C1C(CCl)=CC=C2"	"OC(=O)CSC1C=CC=C2C=CC=C(CCl)C2=1"	"?"	"InChI=1S/C13H11ClO2S/c14-7-10-5-1-3-9-4-2-6-11(13(9)10)17-8-12(15)16/h1-6H,7-8H2,(H,15,16)"	"WKKHPDZWSPRFHX-UHFFFAOYSA-N"	"2500.0"	"3"	"5"	"FALSE"	"TRUE"
"3074"	"78417-76-2"	"DTXSID50229067"	"Benzamide, 5-butyl-2-hydroxy-N-(3-(trifluoromethyl)phenyl)-"	"EPA_DSSTox"	"CCCCC1=CC(C(=O)NC2=CC=CC(=C2)C(F)(F)F)=C(O)C=C1"	"CCCCC1=CC(=C(O)C=C1)C(=O)NC1=CC(=CC=C1)C(F)(F)F"	"?"	"InChI=1S/C18H18F3NO2/c1-2-3-5-12-8-9-16(23)15(10-12)17(24)22-14-7-4-6-13(11-14)18(19,20)21/h4,6-11,23H,2-3,5H2,1H3,(H,22,24)"	"NUVRXXIKUYEYFQ-UHFFFAOYSA-N"	"2500.0"	"3"	"5"	"FALSE"	"TRUE"
"3075"	"82428-30-6"			"Public_CrossChecked"	"CC(=C)C(=O)OCC1CCC2OC2C1"	"CC(=C)C(=O)OCC1CCC2OC2C1"	"?"	"InChI=1S/C11H16O3/c1-7(2)11(12)13-6-8-3-4-9-10(5-8)14-9/h8-10H,1,3-6H2,2H3"	"FYYIUODUDSPAJQ-UHFFFAOYSA-N"	"2500.0"	"3"	"5"	"FALSE"	"TRUE"
"3076"	"56518-41-3"	"DTXSID20205070"	"Brodimoprim"	"EPA_DSSTox"	"COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1Br"	"COC1=CC(CC2C=NC(N)=NC=2N)=CC(OC)=C1Br"	"?"	"InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)"	"BFCRRLMMHNLSCP-UHFFFAOYSA-N"	"2514.0"	"3"	"5"	"FALSE"	"TRUE"
"3077"	"27589-33-9"	"DTXSID7046910"	"Azosemide"	"EPA_DSSTox"	"NS(=O)(=O)C1=CC(C2=NN=NN2)=C(NCC2=CC=CS2)C=C1Cl"	"NS(=O)(=O)C1=CC(C2NN=NN=2)=C(C=C1Cl)NCC1=CC=CS1"	"?"	"InChI=1S/C12H11ClN6O2S2/c13-9-5-10(15-6-7-2-1-3-22-7)8(12-16-18-19-17-12)4-11(9)23(14,20)21/h1-5,15H,6H2,(H2,14,20,21)(H,16,17,18,19)"	"HMEDEBAJARCKCT-UHFFFAOYSA-N"	"2545.0"	"3"	"5"	"FALSE"	"TRUE"
"3078"	"3759-61-3"	"DTXSID3063170"	"Carbonochloridic acid, 1-naphthalenyl ester"	"EPA_DSSTox"	"ClC(=O)OC1=C2C=CC=CC2=CC=C1"	"O=C(Cl)OC1C=CC=C2C=CC=CC2=1"	"?"	"InChI=1S/C11H7ClO2/c12-11(13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H"	"JRUFQZPDRRGHEF-UHFFFAOYSA-N"	"2550.0"	"3"	"5"	"FALSE"	"TRUE"
"3079"	"60764-83-2"	"DTXSID10209587"	"Methanethiol, triethoxysilyl-"	"EPA_DSSTox"	"CCO[Si](CS)(OCC)OCC"	"CCO[Si](CS)(OCC)OCC"	"?"	"InChI=1S/C7H18O3SSi/c1-4-8-12(7-11,9-5-2)10-6-3/h11H,4-7H2,1-3H3"	"XSIGLRIVXRKQRA-UHFFFAOYSA-N"	"2550.0"	"3"	"5"	"FALSE"	"TRUE"
"3080"	"31430-15-6"	"DTXSID8023058"	"Flubendazole"	"EPA_DSSTox"	"COC(=O)NC1=NC2=CC=C(C=C2N1)C(=O)C1=CC=C(F)C=C1"	"COC(=O)NC1NC2=CC(=CC=C2N=1)C(=O)C1C=CC(F)=CC=1"	"?"	"InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)"	"CPEUVMUXAHMANV-UHFFFAOYSA-N"	"2560.0"	"3"	"5"	"FALSE"	"TRUE"
"3081"	"644-08-6"	"DTXSID4047177"	"4-Phenyltoluene"	"EPA_DSSTox"	"CC1=CC=C(C=C1)C1=CC=CC=C1"	"CC1C=CC(=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3"	"ZZLCFHIKESPLTH-UHFFFAOYSA-N"	"2570.0"	"3"	"5"	"FALSE"	"TRUE"
"3082"	"543-49-7"	"DTXSID1047158"	"2-Heptanol"	"EPA_DSSTox"	"CCCCCC(C)O"	"CCCCCC(C)O"	"?"	"InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3"	"CETWDUZRCINIHU-UHFFFAOYSA-N"	"2580.0"	"3"	"5"	"FALSE"	"TRUE"
"3083"	"1079-01-2"	"DTXSID70889329"	"Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, 2-acetate, (1S,5R)-"	"EPA_DSSTox"	"CC(=O)OCC1=CC[C@@H]2C[C@H]1C2(C)C"	"CC(=O)OCC1=CCC2CC1C2(C)C"	"?"	"InChI=1S/C12H18O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h4,10-11H,5-7H2,1-3H3"	"BKATZVAUANSCKN-UHFFFAOYSA-N"	"2600.0"	"3"	"5"	"FALSE"	"TRUE"
"3084"	"19433-82-0"			"Public_CrossChecked"	"CCCCN(N=O)c1ccc(cc1)N(CCCC)N=O"	"CCCCN(N=O)C1C=CC(=CC=1)N(CCCC)N=O"	"?"	"InChI=1S/C14H22N4O2/c1-3-5-11-17(15-19)13-7-9-14(10-8-13)18(16-20)12-6-4-2/h7-10H,3-6,11-12H2,1-2H3"	"RJJJIBJBIYMDEC-UHFFFAOYSA-N"	"2600.0"	"3"	"5"	"FALSE"	"TRUE"
"3085"	"376-89-6"	"DTXSID20191040"	"Glutaronitrile, perfluoro-"	"EPA_DSSTox"	"FC(F)(C#N)C(F)(F)C(F)(F)C#N"	"N#CC(F)(F)C(F)(F)C(F)(F)C#N"	"?"	"InChI=1S/C5F6N2/c6-3(7,1-12)5(10,11)4(8,9)2-13"	"YDLOFKOZJGMQBZ-UHFFFAOYSA-N"	"2600.0"	"3"	"5"	"FALSE"	"TRUE"
"3086"	"58810-48-3"	"DTXSID6058138"	"Ofurace"	"EPA_DSSTox"	"CC1=CC=CC(C)=C1N(C1CCOC1=O)C(=O)CCl"	"CC1C=CC=C(C)C=1N(C1CCOC1=O)C(=O)CCl"	"?"	"InChI=1S/C14H16ClNO3/c1-9-4-3-5-10(2)13(9)16(12(17)8-15)11-6-7-19-14(11)18/h3-5,11H,6-8H2,1-2H3"	"OWDLFBLNMPCXSD-UHFFFAOYSA-N"	"2600.0"	"3"	"5"	"FALSE"	"TRUE"
"3087"	"63732-08-1"			"Public_CrossChecked"	"CCOC(=O)CC(=O)OC(Br)C(Cl)(Cl)Cl"	"CCOC(=O)CC(=O)OC(Br)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C7H8BrCl3O4/c1-2-14-4(12)3-5(13)15-6(8)7(9,10)11/h6H,2-3H2,1H3"	"VVVRYQWQSSUBOC-UHFFFAOYSA-N"	"2600.0"	"3"	"5"	"FALSE"	"TRUE"
"3088"	"103-26-4"	"DTXSID6042151"	"Methyl cinnamate"	"EPA_DSSTox"	"COC(=O)C=CC1=CC=CC=C1"	"COC(=O)C=CC1C=CC=CC=1"	"?"	"InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3"	"CCRCUPLGCSFEDV-UHFFFAOYSA-N"	"2610.0"	"3"	"5"	"FALSE"	"TRUE"
"3089"	"56-34-8"	"DTXSID6041137"	"Tetraethylammonium chloride"	"EPA_DSSTox"	"[Cl-].CC[N+](CC)(CC)CC"	"CC[N+](CC)(CC)CC"	"[Cl-]"	"InChI=1S/C8H20N/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1"	"CBXCPBUEXACCNR-UHFFFAOYSA-N"	"2630.0"	"3"	"5"	"FALSE"	"TRUE"
"3090"	"28283-89-8"	"DTXSID8042397"	"Sodium 2,5-dichloro-3-nitrobenzoate"	"EPA_DSSTox"	"[Na+].[O-]C(=O)C1=C(Cl)C(=CC(Cl)=C1)[N+]([O-])=O"	"[O-][N+](=O)C1=CC(Cl)=CC(C(O)=O)=C1Cl"	"[Na+]"	"InChI=1S/C7H3Cl2NO4/c8-3-1-4(7(11)12)6(9)5(2-3)10(13)14/h1-2H,(H,11,12)"	"AUAXYMOBWXOEQD-UHFFFAOYSA-N"	"2640.0"	"3"	"5"	"FALSE"	"TRUE"
"3091"	"491-37-2"	"DTXSID3060081"	"4H-1-Benzopyran-4-one, 2,3-dihydro-"	"EPA_DSSTox"	"O=C1CCOC2=CC=CC=C12"	"O=C1CCOC2=CC=CC=C21"	"?"	"InChI=1S/C9H8O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4H,5-6H2"	"MSTDXOZUKAQDRL-UHFFFAOYSA-N"	"2647.0"	"3"	"5"	"FALSE"	"TRUE"
"3092"	"680-31-9"	"DTXSID6020694"	"Hexamethylphosphoramide"	"EPA_DSSTox"	"CN(C)P(=O)(N(C)C)N(C)C"	"CN(C)P(=O)(N(C)C)N(C)C"	"?"	"InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3"	"GNOIPBMMFNIUFM-UHFFFAOYSA-N"	"2650.0"	"3"	"5"	"FALSE"	"TRUE"
"3093"	"4335-77-7"			"Public_CrossChecked"	"OC(=O)C(O)(C1CCCCC1)c1ccccc1"	"OC(=O)C(O)(C1CCCCC1)C1C=CC=CC=1"	"?"	"InChI=1S/C14H18O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12,17H,2,5-6,9-10H2,(H,15,16)"	"YTRNSQPXEDGWMR-UHFFFAOYSA-N"	"2668.0"	"3"	"5"	"FALSE"	"TRUE"
"3094"	"120-92-3"	"DTXSID3029154"	"Cyclopentanone"	"EPA_DSSTox"	"O=C1CCCC1"	"O=C1CCCC1"	"?"	"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2"	"BGTOWKSIORTVQH-UHFFFAOYSA-N"	"2690.0"	"3"	"5"	"FALSE"	"TRUE"
"3095"	"120-57-0"	"DTXSID7025924"	"Piperonal"	"EPA_DSSTox"	"O=CC1=CC=C2OCOC2=C1"	"O=CC1C=C2OCOC2=CC=1"	"?"	"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2"	"SATCULPHIDQDRE-UHFFFAOYSA-N"	"2700.0"	"3"	"5"	"FALSE"	"TRUE"
"3096"	"460-00-4"	"DTXSID4027153"	"1-Bromo-4-fluorobenzene"	"EPA_DSSTox"	"FC1=CC=C(Br)C=C1"	"FC1=CC=C(Br)C=C1"	"?"	"InChI=1S/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H"	"AITNMTXHTIIIBB-UHFFFAOYSA-N"	"2700.0"	"3"	"5"	"FALSE"	"TRUE"
"3097"	"57081-56-8"	"DTXSID30205703"	"Acetic acid, 2-(4-(4-chlorobenzyl)phenoxy)-, 3-pyridinylmethyl ester"	"EPA_DSSTox"	"ClC1=CC=C(CC2=CC=C(OCC(=O)OCC3=CN=CC=C3)C=C2)C=C1"	"O=C(COC1C=CC(CC2C=CC(Cl)=CC=2)=CC=1)OCC1C=NC=CC=1"	"?"	"InChI=1S/C21H18ClNO3/c22-19-7-3-16(4-8-19)12-17-5-9-20(10-6-17)25-15-21(24)26-14-18-2-1-11-23-13-18/h1-11,13H,12,14-15H2"	"LIEKKOSECRQYGL-UHFFFAOYSA-N"	"2700.0"	"3"	"5"	"FALSE"	"TRUE"
"3098"	"88-10-8"	"DTXSID0052598"	"Diethylcarbamoyl chloride"	"EPA_DSSTox"	"CCN(CC)C(Cl)=O"	"CCN(CC)C(=O)Cl"	"?"	"InChI=1S/C5H10ClNO/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3"	"OFCCYDUUBNUJIB-UHFFFAOYSA-N"	"2700.0"	"3"	"5"	"FALSE"	"TRUE"
"3099"	"51122-73-7"	"DTXSID80199143"	"N-Ethyl-1,2-bis(isobutylthiolcarbamoyl)ethane"	"EPA_DSSTox"	"CCN(CCNC(=O)SCC(C)C)C(=O)SCC(C)C"	"CCN(CCNC(=O)SCC(C)C)C(=O)SCC(C)C"	"?"	"InChI=1S/C14H28N2O2S2/c1-6-16(14(18)20-10-12(4)5)8-7-15-13(17)19-9-11(2)3/h11-12H,6-10H2,1-5H3,(H,15,17)"	"PCNVGFGGUCULPT-UHFFFAOYSA-N"	"2710.0"	"3"	"5"	"FALSE"	"TRUE"
"3100"	"548-68-5"	"DTXSID30203284"	"Thiphenamil hydrochloride"	"EPA_DSSTox"	"Cl.CCN(CC)CCSC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1"	"CCN(CCSC(=O)C(C1C=CC=CC=1)C1C=CC=CC=1)CC"	"Cl"	"InChI=1S/C20H25NOS/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3"	"WHLUQAYNVOGZST-UHFFFAOYSA-N"	"2720.0"	"3"	"5"	"FALSE"	"TRUE"
"3101"	"152-47-6"	"DTXSID2046179"	"Sulfalene"	"EPA_DSSTox"	"COC1=NC=CN=C1NS(=O)(=O)C1=CC=C(N)C=C1"	"COC1N=CC=NC=1NS(=O)(=O)C1C=CC(N)=CC=1"	"?"	"InChI=1S/C11H12N4O3S/c1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)"	"KXRZBTAEDBELFD-UHFFFAOYSA-N"	"2739.0"	"3"	"5"	"FALSE"	"TRUE"
"3102"	"5284-22-0"			"Public_CrossChecked"	"CCCCCCCc1ccccc1O"	"CCCCCCCC1C=CC=CC=1O"	"?"	"InChI=1S/C13H20O/c1-2-3-4-5-6-9-12-10-7-8-11-13(12)14/h7-8,10-11,14H,2-6,9H2,1H3"	"FIWYWGLEPWBBQU-UHFFFAOYSA-N"	"2750.0"	"3"	"5"	"FALSE"	"TRUE"
"3103"	"505-29-3"	"DTXSID3024077"	"1,4-Dithiane"	"EPA_DSSTox"	"C1CSCCS1"	"C1CSCCS1"	"?"	"InChI=1S/C4H8S2/c1-2-6-4-3-5-1/h1-4H2"	"LOZWAPSEEHRYPG-UHFFFAOYSA-N"	"2768.0"	"3"	"5"	"FALSE"	"TRUE"
"3104"	"84-51-5"	"DTXSID5044994"	"2-Ethylanthracene-9,10-dione"	"EPA_DSSTox"	"CCC1=CC2=C(C=C1)C(=O)C1=C(C=CC=C1)C2=O"	"CCC1=CC2=C(C=C1)C(=O)C1C=CC=CC=1C2=O"	"?"	"InChI=1S/C16H12O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h3-9H,2H2,1H3"	"SJEBAWHUJDUKQK-UHFFFAOYSA-N"	"2795.0"	"3"	"5"	"FALSE"	"TRUE"
"3105"	"2275-07-2"	"DTXSID20177288"	"2(3H)-Benzoxazolone, 6-chloro-3-(hydroxymethyl)-"	"EPA_DSSTox"	"OCN1C(=O)OC2=C1C=CC(Cl)=C2"	"OCN1C(=O)OC2C=C(Cl)C=CC1=2"	"?"	"InChI=1S/C8H6ClNO3/c9-5-1-2-6-7(3-5)13-8(12)10(6)4-11/h1-3,11H,4H2"	"PYDBIEBVVJRJRV-UHFFFAOYSA-N"	"2800.0"	"3"	"5"	"FALSE"	"TRUE"
"3106"	"41663-84-7"	"DTXSID7028013"	"2-Methyl-5-nitro-1H-isoindole-1,3(2H)-dione"	"EPA_DSSTox"	"CN1C(=O)C2=C(C=C(C=C2)[N+]([O-])=O)C1=O"	"CN1C(=O)C2C=C(C=CC=2C1=O)[N+]([O-])=O"	"?"	"InChI=1S/C9H6N2O4/c1-10-8(12)6-3-2-5(11(14)15)4-7(6)9(10)13/h2-4H,1H3"	"JBCHWGTZAAZJKG-UHFFFAOYSA-N"	"2800.0"	"3"	"5"	"FALSE"	"TRUE"
"3107"	"89-57-6"	"DTXSID5024506"	"5-Aminosalicylic acid"	"EPA_DSSTox"	"NC1=CC=C(O)C(=C1)C(O)=O"	"NC1=CC=C(O)C(=C1)C(O)=O"	"?"	"InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)"	"KBOPZPXVLCULAV-UHFFFAOYSA-N"	"2800.0"	"3"	"5"	"FALSE"	"TRUE"
"3108"	"4019-40-3"	"DTXSID80193186"	"5-Chloro-3-(4-chlorophenyl)-4'-chlorosalicylanilide"	"EPA_DSSTox"	"OC1=C(C=C(Cl)C=C1C(=O)NC1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1"	"OC1C(=CC(Cl)=CC=1C1C=CC(Cl)=CC=1)C(=O)NC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C19H12Cl3NO2/c20-12-3-1-11(2-4-12)16-9-14(22)10-17(18(16)24)19(25)23-15-7-5-13(21)6-8-15/h1-10,24H,(H,23,25)"	"ASSOGKHCUUVDFJ-UHFFFAOYSA-N"	"2810.0"	"3"	"5"	"FALSE"	"TRUE"
"3109"	"60736-70-1"	"DTXSID20209553"	"3-Chloro-4-benzoyloxyphenylacetic acid"	"EPA_DSSTox"	"OC(=O)CC1=CC(Cl)=C(OCC2=CC=CC=C2)C=C1"	"OC(=O)CC1C=C(Cl)C(=CC=1)OCC1C=CC=CC=1"	"?"	"InChI=1S/C15H13ClO3/c16-13-8-12(9-15(17)18)6-7-14(13)19-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,17,18)"	"DFHBBMJTBBLQSA-UHFFFAOYSA-N"	"2820.0"	"3"	"5"	"FALSE"	"TRUE"
"3110"	"79-43-6"	"DTXSID2020428"	"Dichloroacetic acid"	"EPA_DSSTox"	"OC(=O)C(Cl)Cl"	"OC(=O)C(Cl)Cl"	"?"	"InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)"	"JXTHNDFMNIQAHM-UHFFFAOYSA-N"	"2820.0"	"3"	"5"	"FALSE"	"TRUE"
"3111"	"10138-21-3"	"DTXSID80871199"	"Dichloroethylvinylsilane"	"EPA_DSSTox"	"CC[Si](Cl)(Cl)C=C"	"CC[Si](Cl)(Cl)C=C"	"?"	"InChI=1S/C4H8Cl2Si/c1-3-7(5,6)4-2/h3H,1,4H2,2H3"	"JPBGVRDEQPIMFO-UHFFFAOYSA-N"	"2830.0"	"3"	"5"	"FALSE"	"TRUE"
"3112"	"13484-13-4"			"Public_CrossChecked"	"C1OC1c1ccc2Oc2c1"	"C1OC1C1C=C2OC2=CC=1"	"?"	"InChI=1S/C8H6O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h1-3,8H,4H2"	"ASZDXZKUBDYMPZ-UHFFFAOYSA-N"	"2830.0"	"3"	"5"	"FALSE"	"TRUE"
"3113"	"23350-58-5"			"Public_CrossChecked"	"CC=CC(N)=O"	"CC=CC(N)=O"	"?"	"InChI=1S/C4H7NO/c1-2-3-4(5)6/h2-3H,1H3,(H2,5,6)"	"NQQRXZOPZBKCNF-UHFFFAOYSA-N"	"2830.0"	"3"	"5"	"FALSE"	"TRUE"
"3114"	"4169-04-4"	"DTXSID7029665"	"2-Phenoxy-1-propanol"	"EPA_DSSTox"	"CC(CO)OC1=CC=CC=C1"	"CC(CO)OC1C=CC=CC=1"	"?"	"InChI=1S/C9H12O2/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3"	"LOJHHQNEBFCTQK-UHFFFAOYSA-N"	"2830.0"	"3"	"5"	"FALSE"	"TRUE"
"3115"	"63783-49-3"			"Public_CrossChecked"	"OCC(Cl)C(Cl)CO"	"OCC(Cl)C(Cl)CO"	"?"	"InChI=1S/C4H8Cl2O2/c5-3(1-7)4(6)2-8/h3-4,7-8H,1-2H2"	"BDFQFJDIIIRPBO-UHFFFAOYSA-N"	"2830.0"	"3"	"5"	"FALSE"	"TRUE"
"3116"	"78-43-3"	"DTXSID7023805"	"Tris(2,3-dichloropropyl)phosphate"	"EPA_DSSTox"	"ClCC(Cl)COP(=O)(OCC(Cl)CCl)OCC(Cl)CCl"	"O=P(OCC(Cl)CCl)(OCC(Cl)CCl)OCC(Cl)CCl"	"?"	"InChI=1S/C9H15Cl6O4P/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h7-9H,1-6H2"	"JZZBTMVTLBHJHL-UHFFFAOYSA-N"	"2830.0"	"3"	"5"	"FALSE"	"TRUE"
"3117"	"55268-74-1"	"DTXSID9021182"	"Praziquantel"	"EPA_DSSTox"	"O=C(C1CCCCC1)N1CC2N(CCC3=C2C=CC=C3)C(=O)C1"	"O=C(C1CCCCC1)N1CC2C3C=CC=CC=3CCN2C(=O)C1"	"?"	"InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2"	"FSVJFNAIGNNGKK-UHFFFAOYSA-N"	"2840.0"	"3"	"5"	"FALSE"	"TRUE"
"3118"	"1322-12-9"	"DTXSID00157427"	"Carbonic acid, ethyl octynyl ester"	"EPA_DSSTox"	"CCCCCCC#COC(=O)OCC"	"CCOC(=O)OC#CCCCCCC"	"?"	"InChI=1S/C11H18O3/c1-3-5-6-7-8-9-10-14-11(12)13-4-2/h3-8H2,1-2H3"	"PYEYQVUFMQXYGR-UHFFFAOYSA-N"	"2850.0"	"3"	"5"	"FALSE"	"TRUE"
"3119"	"34643-09-9"			"Public_CrossChecked"	"CCc1ccc(Oc2ccc(C)cc2CC(O)=O)c(Cl)c1"	"CC1C=CC(OC2C=CC(CC)=CC=2Cl)=C(CC(O)=O)C=1"	"?"	"InChI=1S/C17H17ClO3/c1-3-12-5-7-16(14(18)9-12)21-15-6-4-11(2)8-13(15)10-17(19)20/h4-9H,3,10H2,1-2H3,(H,19,20)"	"DTOBTMTUCDAZIZ-UHFFFAOYSA-N"	"2853.0"	"3"	"5"	"FALSE"	"TRUE"
"3120"	"119-64-2"	"DTXSID1026118"	"Tetralin"	"EPA_DSSTox"	"C1CCC2=C(C1)C=CC=C2"	"C1CCCC2C=CC=CC=21"	"?"	"InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2"	"CXWXQJXEFPUFDZ-UHFFFAOYSA-N"	"2860.0"	"3"	"5"	"FALSE"	"TRUE"
"3121"	"161559-33-7"	"DTXSID50167192"	"1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(methylphenylamino)ethyl)-"	"EPA_DSSTox"	"CN(CCN1C=NC2=C1C(=O)N(C)C(=O)N2C)C1=CC=CC=C1"	"CN(CCN1C=NC2=C1C(=O)N(C)C(=O)N2C)C1C=CC=CC=1"	"?"	"InChI=1S/C16H19N5O2/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/h4-8,11H,9-10H2,1-3H3"	"DJMOXMNDXFFONV-UHFFFAOYSA-N"	"2880.0"	"3"	"5"	"FALSE"	"TRUE"
"3122"	"55-97-0"	"DTXSID50883229"	"1,6-Hexanediaminium, N1,N1,N1,N6,N6,N6-hexamethyl-, bromide (1:2)"	"EPA_DSSTox"	"[Br-].[Br-].C[N+](C)(C)CCCCCC[N+](C)(C)C"	"C[N+](C)(C)CCCCCC[N+](C)(C)C"	"[Br-].[Br-]"	"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"	"2891.0"	"3"	"5"	"FALSE"	"TRUE"
"3123"	"124-68-5"	"DTXSID8027032"	"2-Amino-2-methylpropan-1-ol"	"EPA_DSSTox"	"CC(C)(N)CO"	"CC(C)(N)CO"	"?"	"InChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3"	"CBTVGIZVANVGBH-UHFFFAOYSA-N"	"2900.0"	"3"	"5"	"FALSE"	"TRUE"
"3124"	"532-09-2"	"DTXSID20201254"	"Acetamide, N-(2-butoxyphenyl)- (9CI)"	"EPA_DSSTox"	"CCCCOC1=CC=CC=C1NC(C)=O"	"CC(=O)NC1C=CC=CC=1OCCCC"	"?"	"InChI=1S/C12H17NO2/c1-3-4-9-15-12-8-6-5-7-11(12)13-10(2)14/h5-8H,3-4,9H2,1-2H3,(H,13,14)"	"MJELWGXEQOCGGW-UHFFFAOYSA-N"	"2900.0"	"3"	"5"	"FALSE"	"TRUE"
"3125"	"126801-58-9"	"DTXSID1057951"	"Ethoxysulfuron"	"EPA_DSSTox"	"CCOC1=CC=CC=C1OS(=O)(=O)NC(O)=NC1=NC(OC)=CC(OC)=N1"	"CCOC1=CC=CC=C1OS(=O)(=O)N/C(/O)=N/C1N=C(C=C(N=1)OC)OC"	"?"	"InChI=1S/C15H18N4O7S/c1-4-25-10-7-5-6-8-11(10)26-27(21,22)19-15(20)18-14-16-12(23-2)9-13(17-14)24-3/h5-9H,4H2,1-3H3,(H2,16,17,18,19,20)"	"UWVKRNOCDUPIDM-UHFFFAOYSA-N"	"2910.0"	"3"	"5"	"FALSE"	"TRUE"
"3126"	"35607-13-7"			"Public_CrossChecked"	"Cl.Cl.OC(CNCCNCC(O)COc1ccccc1)COc1ccccc1"	"OC(COC1C=CC=CC=1)CNCCNCC(O)COC1C=CC=CC=1"	"Cl.Cl"	"InChI=1S/C20H28N2O4/c23-17(15-25-19-7-3-1-4-8-19)13-21-11-12-22-14-18(24)16-26-20-9-5-2-6-10-20/h1-10,17-18,21-24H,11-16H2"	"ZRTJDAGDIFOGTM-UHFFFAOYSA-N"	"2920.0"	"3"	"5"	"FALSE"	"TRUE"
"3127"	"75011-65-3"	"DTXSID0020864"	"N-Methyldopamine,O,O'-diisobutyroylester hydrochloride"	"EPA_DSSTox"	"Cl.CNCCC1=CC(OC(=O)C(C)C)=C(OC(=O)C(C)C)C=C1"	"CC(C)C(=O)OC1C=C(CCNC)C=CC=1OC(=O)C(C)C"	"Cl"	"InChI=1S/C17H25NO4/c1-11(2)16(19)21-14-7-6-13(8-9-18-5)10-15(14)22-17(20)12(3)4/h6-7,10-12,18H,8-9H2,1-5H3"	"WDKXLLJDNUBYCY-UHFFFAOYSA-N"	"2926.0"	"3"	"5"	"FALSE"	"TRUE"
"3128"	"25961-87-9"	"DTXSID50180629"	"Ethanol, 2-(2-(heptyloxy)ethoxy)-"	"EPA_DSSTox"	"CCCCCCCOCCOCCO"	"CCCCCCCOCCOCCO"	"?"	"InChI=1S/C11H24O3/c1-2-3-4-5-6-8-13-10-11-14-9-7-12/h12H,2-11H2,1H3"	"OVPQPMTZOLCPHB-UHFFFAOYSA-N"	"2940.0"	"3"	"5"	"FALSE"	"TRUE"
"3129"	"60595-60-0"			"Public_CrossChecked"	"Cc1cc(=O)c2c(C)ccc(C)c2o1"	"Cc1ccc(C)c2c(=O)cc(C)oc12"	"?"	"InChI=1S/C12H12O2/c1-7-4-5-8(2)12-11(7)10(13)6-9(3)14-12/h4-6H,1-3H3"	"KJRCVOWXLZJQKW-UHFFFAOYSA-N"	"2960.0"	"3"	"5"	"FALSE"	"TRUE"
"3130"	"76095-16-4"			"Public_CrossChecked"	"OC(=O)C=CC(O)=O.CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O"	"CC(NC(CCC1C=CC=CC=1)C(=O)OCC)C(=O)N1CCCC1C(O)=O"	"C(=C/C(=O)O)/C(=O)O"	"InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)"	"GBXSMTUPTTWBMN-UHFFFAOYSA-N"	"2973.0"	"3"	"5"	"FALSE"	"TRUE"
"3131"	"592-88-1"	"DTXSID6060470"	"1-Propene, 3,3'-thiobis-"	"EPA_DSSTox"	"C=CCSCC=C"	"C=CCSCC=C"	"?"	"InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2"	"UBJVUCKUDDKUJF-UHFFFAOYSA-N"	"2980.0"	"3"	"5"	"FALSE"	"TRUE"
"3132"	"102-76-1"	"DTXSID3026691"	"Triacetin"	"EPA_DSSTox"	"CC(=O)OCC(COC(C)=O)OC(C)=O"	"CC(=O)OC(COC(C)=O)COC(C)=O"	"?"	"InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3"	"URAYPUMNDPQOKB-UHFFFAOYSA-N"	"3000.0"	"3"	"5"	"FALSE"	"TRUE"
"3133"	"108-22-5"	"DTXSID3031492"	"Isopropenyl acetate"	"EPA_DSSTox"	"CC(=C)OC(C)=O"	"CC(=O)OC(C)=C"	"?"	"InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3"	"HETCEOQFVDFGSY-UHFFFAOYSA-N"	"3000.0"	"3"	"5"	"FALSE"	"TRUE"
"3134"	"112-42-5"	"DTXSID0026915"	"1-Undecanol"	"EPA_DSSTox"	"CCCCCCCCCCCO"	"CCCCCCCCCCCO"	"?"	"InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3"	"KJIOQYGWTQBHNH-UHFFFAOYSA-N"	"3000.0"	"3"	"5"	"FALSE"	"TRUE"
"3135"	"13665-88-8"	"DTXSID30159878"	"Mopidamol"	"EPA_DSSTox"	"OCCN(CCO)C1=NC=C2N=C(N=C(N3CCCCC3)C2=N1)N(CCO)CCO"	"OCCN(CCO)C1N=C(C2N=C(N=CC=2N=1)N(CCO)CCO)N1CCCCC1"	"?"	"InChI=1S/C19H31N7O4/c27-10-6-25(7-11-28)18-20-14-15-16(22-18)17(24-4-2-1-3-5-24)23-19(21-15)26(8-12-29)9-13-30/h14,27-30H,1-13H2"	"FOYWNSCCNCUEPU-UHFFFAOYSA-N"	"3000.0"	"3"	"5"	"FALSE"	"TRUE"
"3136"	"1861-32-1"	"DTXSID0024000"	"Chlorthal-dimethyl"	"EPA_DSSTox"	"COC(=O)C1=C(Cl)C(Cl)=C(C(=O)OC)C(Cl)=C1Cl"	"COC(=O)C1=C(Cl)C(Cl)=C(C(Cl)=C1Cl)C(=O)OC"	"?"	"InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3"	"NPOJQCVWMSKXDN-UHFFFAOYSA-N"	"3000.0"	"3"	"5"	"FALSE"	"TRUE"
"3137"	"22936-75-0"	"DTXSID3041873"	"Dimethametryn"	"EPA_DSSTox"	"CCNC1=NC(SC)=NC(NC(C)C(C)C)=N1"	"CC(C)C(C)NC1N=C(N=C(NCC)N=1)SC"	"?"	"InChI=1S/C11H21N5S/c1-6-12-9-14-10(13-8(4)7(2)3)16-11(15-9)17-5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16)"	"IKYICRRUVNIHPP-UHFFFAOYSA-N"	"3000.0"	"3"	"5"	"FALSE"	"TRUE"
"3138"	"2422-88-0"	"DTXSID2062400"	"Tributylthiourea"	"EPA_DSSTox"	"CCCCNC(=S)N(CCCC)CCCC"	"CCCCNC(=S)N(CCCC)CCCC"	"?"	"InChI=1S/C13H28N2S/c1-4-7-10-14-13(16)15(11-8-5-2)12-9-6-3/h4-12H2,1-3H3,(H,14,16)"	"UDYXMTORTDACTG-UHFFFAOYSA-N"	"3000.0"	"3"	"5"	"FALSE"	"TRUE"
"3139"	"28606-03-3"			"Public_CrossChecked"	"CC1=CCC2CC1(S)C2(C)C"	"CC1(C)C2CC=C(C)C1(S)C2"	"?"	"InChI=1S/C10H16S/c1-7-4-5-8-6-10(7,11)9(8,2)3/h4,8,11H,5-6H2,1-3H3"	"KYKXCDSVDJLHMG-UHFFFAOYSA-N"	"3000.0"	"3"	"5"	"FALSE"	"TRUE"
"3140"	"3813-05-6"	"DTXSID2041620"	"Benazolin"	"EPA_DSSTox"	"OC(=O)CN1C(=O)SC2=CC=CC(Cl)=C12"	"OC(=O)CN1C2C(Cl)=CC=CC=2SC1=O"	"?"	"InChI=1S/C9H6ClNO3S/c10-5-2-1-3-6-8(5)11(4-7(12)13)9(14)15-6/h1-3H,4H2,(H,12,13)"	"HYJSGOXICXYZGS-UHFFFAOYSA-N"	"3000.0"	"3"	"5"	"FALSE"	"TRUE"
"3141"	"492-80-8"	"DTXSID7043821"	"Auramine"	"EPA_DSSTox"	"CN(C)C1=CC=C(C=C1)C(=N)C1=CC=C(C=C1)N(C)C"	"CN(C)C1C=CC(=CC=1)C(=N)C1C=CC(=CC=1)N(C)C"	"?"	"InChI=1S/C17H21N3/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4/h5-12,18H,1-4H3"	"JPIYZTWMUGTEHX-UHFFFAOYSA-N"	"3000.0"	"3"	"5"	"FALSE"	"TRUE"
"3142"	"53378-51-1"	"DTXSID2068846"	"Phosphorodithioic acid, O,O-bis(2-methylpropyl) ester, sodium salt"	"EPA_DSSTox"	"[Na+].CC(C)COP([S-])(=S)OCC(C)C"	"CC(C)COP(S)(=S)OCC(C)C"	"[Na+]"	"InChI=1S/C8H19O2PS2/c1-7(2)5-9-11(12,13)10-6-8(3)4/h7-8H,5-6H2,1-4H3,(H,12,13)"	"SYFIMIPHNTZHIN-UHFFFAOYSA-N"	"3000.0"	"3"	"5"	"FALSE"	"TRUE"
"3143"	"5760-50-9"	"DTXSID5063998"	"9-Undecenoic acid, methyl ester"	"EPA_DSSTox"	"COC(=O)CCCCCCCC=CC"	"CC=CCCCCCCCC(=O)OC"	"?"	"InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-4H,5-11H2,1-2H3"	"RHRCWCJKYPOGNT-UHFFFAOYSA-N"	"3000.0"	"3"	"5"	"FALSE"	"TRUE"
"3144"	"5936-70-9"	"DTXSID40208104"	"Benzamide, 3,4-diethoxy-N-(p-(2-(methylamino)ethoxy)benzyl)-"	"EPA_DSSTox"	"CCOC1=C(OCC)C=C(C=C1)C(=O)NCC1=CC=C(OCCNC)C=C1"	"CNCCOC1C=CC(CNC(=O)C2=CC(OCC)=C(C=C2)OCC)=CC=1"	"?"	"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"	"3000.0"	"3"	"5"	"FALSE"	"TRUE"
"3145"	"620-22-4"	"DTXSID6026167"	"3-Methylbenzonitrile"	"EPA_DSSTox"	"CC1=CC(=CC=C1)C#N"	"CC1=CC(=CC=C1)C#N"	"?"	"InChI=1S/C8H7N/c1-7-3-2-4-8(5-7)6-9/h2-5H,1H3"	"BOHCMQZJWOGWTA-UHFFFAOYSA-N"	"3000.0"	"3"	"5"	"FALSE"	"TRUE"
"3146"	"68289-14-5"	"DTXSID30218434"	"Metrazifone"	"EPA_DSSTox"	"CN(C)C1=CC=C(C=C1)C1=NN(C)C(=O)N=C1C1=CC=C(C=C1)N(C)C"	"CN(C)C1C=CC(=CC=1)C1=NC(=O)N(C)N=C1C1C=CC(=CC=1)N(C)C"	"?"	"InChI=1S/C20H23N5O/c1-23(2)16-10-6-14(7-11-16)18-19(22-25(5)20(26)21-18)15-8-12-17(13-9-15)24(3)4/h6-13H,1-5H3"	"FBZHCUQUPMUOCR-UHFFFAOYSA-N"	"3000.0"	"3"	"5"	"FALSE"	"TRUE"
"3147"	"73698-60-9"	"DTXSID80223997"	"6-Benzofuranbutyric acid, 2,3-dimethyl-7-methoxy-gamma-oxo-, sodium salt"	"EPA_DSSTox"	"[Na+].COC1=C(C=CC2=C1OC(C)=C2C)C(=O)CCC([O-])=O"	"COC1=C(C=CC2=C1OC(C)=C2C)C(=O)CCC(O)=O"	"[Na+]"	"InChI=1S/C15H16O5/c1-8-9(2)20-15-10(8)4-5-11(14(15)19-3)12(16)6-7-13(17)18/h4-5H,6-7H2,1-3H3,(H,17,18)"	"OCYZTCBEFKJCOA-UHFFFAOYSA-N"	"3000.0"	"3"	"5"	"FALSE"	"TRUE"
"3148"	"929-06-6"	"DTXSID6027341"	"2-(2-Aminoethoxy)ethanol"	"EPA_DSSTox"	"NCCOCCO"	"NCCOCCO"	"?"	"InChI=1S/C4H11NO2/c5-1-3-7-4-2-6/h6H,1-5H2"	"GIAFURWZWWWBQT-UHFFFAOYSA-N"	"3000.0"	"3"	"5"	"FALSE"	"TRUE"
"3149"	"161967-81-3"	"DTXSID0046692"	"Grepafloxacin hydrochloride"	"EPA_DSSTox"	"Cl.CC1CN(CCN1)C1=C(F)C(C)=C2C(=O)C(=CN(C3CC3)C2=C1)C(O)=O"	"CC1C(F)=C(C=C2C=1C(=O)C(=CN2C1CC1)C(O)=O)N1CCNC(C)C1"	"Cl"	"InChI=1S/C19H22FN3O3/c1-10-8-22(6-5-21-10)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)9-23(14)12-3-4-12/h7,9-10,12,21H,3-6,8H2,1-2H3,(H,25,26)"	"AIJTTZAVMXIJGM-UHFFFAOYSA-N"	"3029.0"	"3"	"5"	"FALSE"	"TRUE"
"3150"	"3572-06-3"	"DTXSID2035481"	"4-(4-(Acetyloxy)phenyl)-2-butanone"	"EPA_DSSTox"	"CC(=O)CCC1=CC=C(OC(C)=O)C=C1"	"CC(=O)CCC1C=CC(=CC=1)OC(C)=O"	"?"	"InChI=1S/C12H14O3/c1-9(13)3-4-11-5-7-12(8-6-11)15-10(2)14/h5-8H,3-4H2,1-2H3"	"UMIKWXDGXDJQJK-UHFFFAOYSA-N"	"3038.0"	"3"	"5"	"FALSE"	"TRUE"
"3151"	"27050-41-5"			"Public_CrossChecked"	"CCCCN1CCCC1=Nc1ccc(Cl)c(Cl)c1"	"CCCCN1CCCC1=NC1=CC(Cl)=C(Cl)C=C1"	"?"	"InChI=1S/C14H18Cl2N2/c1-2-3-8-18-9-4-5-14(18)17-11-6-7-12(15)13(16)10-11/h6-7,10H,2-5,8-9H2,1H3"	"MKSYSNRVVYYBIZ-UHFFFAOYSA-N"	"3050.0"	"3"	"5"	"FALSE"	"TRUE"
"3152"	"4224-62-8"	"DTXSID50195076"	"6-Chlorohexanoic acid"	"EPA_DSSTox"	"OC(=O)CCCCCCl"	"OC(=O)CCCCCCl"	"?"	"InChI=1S/C6H11ClO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)"	"XWWKSLXUVZVGSP-UHFFFAOYSA-N"	"3080.0"	"3"	"5"	"FALSE"	"TRUE"
"3153"	"1422-26-0"	"DTXSID60161969"	"Decanoic acid, 9-oxo-"	"EPA_DSSTox"	"CC(=O)CCCCCCCC(O)=O"	"CC(=O)CCCCCCCC(O)=O"	"?"	"InChI=1S/C10H18O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h2-8H2,1H3,(H,12,13)"	"BYFKKNYEIXWOQO-UHFFFAOYSA-N"	"3100.0"	"3"	"5"	"FALSE"	"TRUE"
"3154"	"2454-37-7"			"Public_CrossChecked"	"CC(O)c1cccc(N)c1"	"CC(O)C1C=CC=C(N)C=1"	"?"	"InChI=1S/C8H11NO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,9H2,1H3"	"QPKNDHZQPGMLCJ-UHFFFAOYSA-N"	"3100.0"	"3"	"5"	"FALSE"	"TRUE"
"3155"	"40164-67-8"	"DTXSID7041596"	"Amidochlor"	"EPA_DSSTox"	"CCC1=CC=CC(CC)=C1N(CNC(C)=O)C(=O)CCl"	"CC(=O)NCN(C(=O)CCl)C1C(CC)=CC=CC=1CC"	"?"	"InChI=1S/C15H21ClN2O2/c1-4-12-7-6-8-13(5-2)15(12)18(14(20)9-16)10-17-11(3)19/h6-8H,4-5,9-10H2,1-3H3,(H,17,19)"	"QTGVGIVRLSGTJJ-UHFFFAOYSA-N"	"3100.0"	"3"	"5"	"FALSE"	"TRUE"
"3156"	"59198-70-8"	"DTXSID1048598"	"Diflucortolone valerate"	"EPA_DSSTox"	"CCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C"	"CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1C(=O)COC(=O)CCCC"	"?"	"InChI=1S/C27H36F2O5/c1-5-6-7-23(33)34-14-21(31)24-15(2)10-17-18-12-20(28)19-11-16(30)8-9-26(19,4)27(18,29)22(32)13-25(17,24)3/h8-9,11,15,17-18,20,22,24,32H,5-7,10,12-14H2,1-4H3"	"HHJIUUAMYGBVSD-UHFFFAOYSA-N"	"3100.0"	"3"	"5"	"FALSE"	"TRUE"
"3157"	"35322-07-7"	"DTXSID10188828"	"Fosazepam"	"EPA_DSSTox"	"CP(C)(=O)CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1"	"CP(C)(=O)CN1C2C=CC(Cl)=CC=2C(=NCC1=O)C1C=CC=CC=1"	"?"	"InChI=1S/C18H18ClN2O2P/c1-24(2,23)12-21-16-9-8-14(19)10-15(16)18(20-11-17(21)22)13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3"	"JMYCGCXYZZHWMO-UHFFFAOYSA-N"	"3110.0"	"3"	"5"	"FALSE"	"TRUE"
"3158"	"718-21-8"			"Public_CrossChecked"	"CC(=NO)C(C)(O)C#Cc1ccccc1"	"CC(N=O)C(C)(O)C#CC1C=CC=CC=1"	"?"	"InChI=1S/C12H13NO2/c1-10(13-15)12(2,14)9-8-11-6-4-3-5-7-11/h3-7,10,14H,1-2H3"	"RLBWFNOTOFJTJP-UHFFFAOYSA-N"	"3125.0"	"3"	"5"	"FALSE"	"TRUE"
"3159"	"37717-82-1"			"Public_CrossChecked"	"OS([O-])(=O)=O.OC(=O)C1=Cc2cc(O)c(O)cc2[N+]1=CC=C1CC([NH2+]C(=C1)C(O)=O)C([O-])=O"	"OC(=O)C1=CC2C=C(O)C(O)=CC=2[N+]1=CC=C1CC(N=C(C1)C(O)=O)C(O)=O"	"OS(=O)(=O)[O-]"	"InChI=1S/C18H14N2O8/c21-14-6-9-5-13(18(27)28)20(12(9)7-15(14)22)2-1-8-3-10(16(23)24)19-11(4-8)17(25)26/h1-2,5-7,10H,3-4H2,(H4-,21,22,23,24,25,26,27,28)/p+1"	"UGICVHYQAUWHKN-UHFFFAOYSA-O"	"3142.0"	"3"	"5"	"FALSE"	"TRUE"
"3160"	"55620-18-3"			"Public_CrossChecked"	"CC(=O)Oc1ccccc1C=CC(O)=O"	"CC(=O)OC1C=CC=CC=1C=CC(O)=O"	"?"	"InChI=1S/C11H10O4/c1-8(12)15-10-5-3-2-4-9(10)6-7-11(13)14/h2-7H,1H3,(H,13,14)"	"UXOWQQCLBQBRMQ-UHFFFAOYSA-N"	"3150.0"	"3"	"5"	"FALSE"	"TRUE"
"3161"	"123-43-3"	"DTXSID8059556"	"Acetic acid, sulfo-"	"EPA_DSSTox"	"OC(=O)CS(O)(=O)=O"	"OC(=O)CS(O)(=O)=O"	"?"	"InChI=1S/C2H4O5S/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H,5,6,7)"	"AGGIJOLULBJGTQ-UHFFFAOYSA-N"	"3160.0"	"3"	"5"	"FALSE"	"TRUE"
"3162"	"96567-85-0"	"DTXSID30242330"	"2H-1-Benzopyran-2-one, 7-hydroxy-6-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-4-methyl-8-(2-propenyl)-, dihydrochloride"	"EPA_DSSTox"	"Cl.Cl.CC1=CC(=O)OC2=C1C=C(CN1CCN(CCO)CC1)C(O)=C2CC=C"	"CC1=CC(=O)OC2C(CC=C)=C(O)C(CN3CCN(CCO)CC3)=CC=21"	"Cl.Cl"	"InChI=1S/C20H26N2O4/c1-3-4-16-19(25)15(12-17-14(2)11-18(24)26-20(16)17)13-22-7-5-21(6-8-22)9-10-23/h3,11-12,23,25H,1,4-10,13H2,2H3"	"QUVJFZNJVFBGKX-UHFFFAOYSA-N"	"3160.0"	"3"	"5"	"FALSE"	"TRUE"
"3163"	"567-47-5"	"DTXSID60205256"	"1-Naphthalenesulfonic acid, 2-hydroxy-"	"EPA_DSSTox"	"OC1=C(C2=CC=CC=C2C=C1)S(O)(=O)=O"	"OC1C=CC2C=CC=CC=2C=1S(O)(=O)=O"	"?"	"InChI=1S/C10H8O4S/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14/h1-6,11H,(H,12,13,14)"	"SGBQUMZTGSQNAO-UHFFFAOYSA-N"	"3170.0"	"3"	"5"	"FALSE"	"TRUE"
"3164"	"105-08-8"	"DTXSID9026712"	"1,4-Cyclohexanedimethanol"	"EPA_DSSTox"	"OCC1CCC(CO)CC1"	"OCC1CCC(CC1)CO"	"?"	"InChI=1S/C8H16O2/c9-5-7-1-2-8(6-10)4-3-7/h7-10H,1-6H2"	"YIMQCDZDWXUDCA-UHFFFAOYSA-N"	"3200.0"	"3"	"5"	"FALSE"	"TRUE"
"3165"	"17741-62-7"	"DTXSID1051804"	"4-{4-[(2,6-Dichloro-4-nitrophenyl)diazenyl]phenyl}thiomorpholine 1,1-dioxide"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC(Cl)=C(N=NC2=CC=C(C=C2)N2CCS(=O)(=O)CC2)C(Cl)=C1"	"[O-][N+](=O)C1=CC(Cl)=C(N=NC2C=CC(=CC=2)N2CCS(=O)(=O)CC2)C(Cl)=C1"	"?"	"InChI=1S/C16H14Cl2N4O4S/c17-14-9-13(22(23)24)10-15(18)16(14)20-19-11-1-3-12(4-2-11)21-5-7-27(25,26)8-6-21/h1-4,9-10H,5-8H2"	"LDQKKASRFRIRPV-UHFFFAOYSA-N"	"3200.0"	"3"	"5"	"FALSE"	"TRUE"
"3166"	"2550-26-7"	"DTXSID6033241"	"Benzylacetone"	"EPA_DSSTox"	"CC(=O)CCC1=CC=CC=C1"	"CC(=O)CCC1C=CC=CC=1"	"?"	"InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3"	"AKGGYBADQZYZPD-UHFFFAOYSA-N"	"3200.0"	"3"	"5"	"FALSE"	"TRUE"
"3167"	"501-68-8"	"DTXSID5057755"	"Beclamide"	"EPA_DSSTox"	"ClCCC(=O)NCC1=CC=CC=C1"	"O=C(CCCl)NCC1C=CC=CC=1"	"?"	"InChI=1S/C10H12ClNO/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)"	"JPYQFYIEOUVJDU-UHFFFAOYSA-N"	"3200.0"	"3"	"5"	"FALSE"	"TRUE"
"3168"	"597-31-9"	"DTXSID9027231"	"Propanal, 3-hydroxy-2,2-dimethyl-"	"EPA_DSSTox"	"CC(C)(CO)C=O"	"CC(C)(CO)C=O"	"?"	"InChI=1S/C5H10O2/c1-5(2,3-6)4-7/h3,7H,4H2,1-2H3"	"JJMOMMLADQPZNY-UHFFFAOYSA-N"	"3200.0"	"3"	"5"	"FALSE"	"TRUE"
"3169"	"68-36-0"	"DTXSID7026366"	"1,4-Bis(trichloromethyl)benzene"	"EPA_DSSTox"	"ClC(Cl)(Cl)C1=CC=C(C=C1)C(Cl)(Cl)Cl"	"ClC(Cl)(Cl)C1C=CC(=CC=1)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C8H4Cl6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4H"	"OTEKOJQFKOIXMU-UHFFFAOYSA-N"	"3200.0"	"3"	"5"	"FALSE"	"TRUE"
"3170"	"79611-16-8"			"Public_CrossChecked"	"CC1CC=NN1c1nc(C)nc(N)n1"	"CC1N=C(N=C(N)N=1)N1N=CCC1C"	"?"	"InChI=1S/C8H12N6/c1-5-3-4-10-14(5)8-12-6(2)11-7(9)13-8/h4-5H,3H2,1-2H3,(H2,9,11,12,13)"	"MIGRFARSOFSYIJ-UHFFFAOYSA-N"	"3200.0"	"3"	"5"	"FALSE"	"TRUE"
"3171"	"92-64-8"	"DTXSID6052617"	"N-Cyanoethyl-hydroxyethyl aniline"	"EPA_DSSTox"	"OCCN(CCC#N)C1=CC=CC=C1"	"N#CCCN(CCO)C1C=CC=CC=1"	"?"	"InChI=1S/C11H14N2O/c12-7-4-8-13(9-10-14)11-5-2-1-3-6-11/h1-3,5-6,14H,4,8-10H2"	"WZJJWQVBLSPALW-UHFFFAOYSA-N"	"3210.0"	"3"	"5"	"FALSE"	"TRUE"
"3172"	"180793-95-7"	"DTXSID90171016"	"Benzamide, N-(5-(2-(10H-phenothiazin-10-yl)ethyl)-1,3,4-thiodiazol-2-yl)-"	"EPA_DSSTox"	"O=C(NC1=NN=C(CCN2C3=CC=CC=C3SC3=CC=CC=C23)S1)C1=CC=CC=C1"	"O=C(NC1=NN=C(CCN2C3C=CC=CC=3SC3C=CC=CC2=3)S1)C1C=CC=CC=1"	"?"	"InChI=1S/C23H18N4OS2/c28-22(16-8-2-1-3-9-16)24-23-26-25-21(30-23)14-15-27-17-10-4-6-12-19(17)29-20-13-7-5-11-18(20)27/h1-13H,14-15H2,(H,24,26,28)"	"XSQDSGOXENXGRQ-UHFFFAOYSA-N"	"3225.0"	"3"	"5"	"FALSE"	"TRUE"
"3173"	"127-08-2"	"DTXSID7027043"	"Potassium acetate"	"EPA_DSSTox"	"[K+].CC([O-])=O"	"CC(O)=O"	"[K+]"	"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)"	"QTBSBXVTEAMEQO-UHFFFAOYSA-N"	"3250.0"	"3"	"5"	"FALSE"	"TRUE"
"3174"	"4056-78-4"			"Public_CrossChecked"	"OC(=O)[C@H]1CC[C@H](C1)C(O)=O"	"OC(=O)C1CC(CC1)C(O)=O"	"?"	"InChI=1S/C7H10O4/c8-6(9)4-1-2-5(3-4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)"	"LNGJOYPCXLOTKL-UHFFFAOYSA-N"	"3250.0"	"3"	"5"	"FALSE"	"TRUE"
"3175"	"78-19-3"			"Public_CrossChecked"	"C=CC1OCC2(CO1)COC(OC2)C=C"	"C=CC1OCC2(CO1)COC(C=C)OC2"	"?"	"InChI=1S/C11H16O4/c1-3-9-12-5-11(6-13-9)7-14-10(4-2)15-8-11/h3-4,9-10H,1-2,5-8H2"	"OOXMQACSWCZQLX-UHFFFAOYSA-N"	"3250.0"	"3"	"5"	"FALSE"	"TRUE"
"3176"	"430-50-2"			"Public_CrossChecked"	"CC(O)CF"	"CC(O)CF"	"?"	"InChI=1S/C3H7FO/c1-3(5)2-4/h3,5H,2H2,1H3"	"WPUWNCWLDZMYSC-UHFFFAOYSA-N"	"3260.0"	"3"	"5"	"FALSE"	"TRUE"
"3177"	"354-21-2"	"DTXSID00861890"	"Ethane, 1,2,2-trichloro-1,1-difluoro-"	"EPA_DSSTox"	"FC(F)(Cl)C(Cl)Cl"	"FC(F)(Cl)C(Cl)Cl"	"?"	"InChI=1S/C2HCl3F2/c3-1(4)2(5,6)7/h1H"	"FQAMAOOEZDRHHB-UHFFFAOYSA-N"	"3286.0"	"3"	"5"	"FALSE"	"TRUE"
"3178"	"122-37-2"	"DTXSID5037739"	"4-Anilinophenol"	"EPA_DSSTox"	"OC1=CC=C(NC2=CC=CC=C2)C=C1"	"OC1C=CC(=CC=1)NC1C=CC=CC=1"	"?"	"InChI=1S/C12H11NO/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13-14H"	"JTTMYKSFKOOQLP-UHFFFAOYSA-N"	"3300.0"	"3"	"5"	"FALSE"	"TRUE"
"3179"	"3765-57-9"	"DTXSID70191075"	"Glenbar"	"EPA_DSSTox"	"COC(=O)C1=C(Cl)C(Cl)=C(C(=O)SC)C(Cl)=C1Cl"	"COC(=O)C1C(Cl)=C(Cl)C(=C(Cl)C=1Cl)C(=O)SC"	"?"	"InChI=1S/C10H6Cl4O3S/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3"	"KNDXZFMNQKSIHU-UHFFFAOYSA-N"	"3300.0"	"3"	"5"	"FALSE"	"TRUE"
"3180"	"97-90-5"	"DTXSID1026615"	"Ethylene glycol dimethacrylate"	"EPA_DSSTox"	"CC(=C)C(=O)OCCOC(=O)C(C)=C"	"CC(=C)C(=O)OCCOC(=O)C(C)=C"	"?"	"InChI=1S/C10H14O4/c1-7(2)9(11)13-5-6-14-10(12)8(3)4/h1,3,5-6H2,2,4H3"	"STVZJERGLQHEKB-UHFFFAOYSA-N"	"3300.0"	"3"	"5"	"FALSE"	"TRUE"
"3181"	"7549-33-9"	"DTXSID8047713"	"Anisyl propionate"	"EPA_DSSTox"	"CCC(=O)OCC1=CC=C(OC)C=C1"	"COC1=CC=C(COC(=O)CC)C=C1"	"?"	"InChI=1S/C11H14O3/c1-3-11(12)14-8-9-4-6-10(13-2)7-5-9/h4-7H,3,8H2,1-2H3"	"YWIJRJQYADFRTL-UHFFFAOYSA-N"	"3330.0"	"3"	"5"	"FALSE"	"TRUE"
"3182"	"96128-90-4"			"Public_CrossChecked"	"CC(C)Cc1ccc(cc1)C(C)C(=O)OCCN1CCN(CC1)c1cccc(Cl)c1"	"CC(C)CC1C=CC(=CC=1)C(C)C(=O)OCCN1CCN(CC1)C1=CC(Cl)=CC=C1"	"?"	"InChI=1S/C25H33ClN2O2/c1-19(2)17-21-7-9-22(10-8-21)20(3)25(29)30-16-15-27-11-13-28(14-12-27)24-6-4-5-23(26)18-24/h4-10,18-20H,11-17H2,1-3H3"	"JFGXBHHLHQAGRR-UHFFFAOYSA-N"	"3350.0"	"3"	"5"	"FALSE"	"TRUE"
"3183"	"40203-73-4"	"DTXSID2052077"	"Methyl cyclopentylideneacetate"	"EPA_DSSTox"	"COC(=O)C=C1CCCC1"	"COC(=O)C=C1CCCC1"	"?"	"InChI=1S/C8H12O2/c1-10-8(9)6-7-4-2-3-5-7/h6H,2-5H2,1H3"	"ZDBCSZOFHPULAS-UHFFFAOYSA-N"	"3362.0"	"3"	"5"	"FALSE"	"TRUE"
"3184"	"66215-27-8"	"DTXSID6023999"	"Cyromazine"	"EPA_DSSTox"	"NC1=NC(NC2CC2)=NC(N)=N1"	"NC1=NC(NC2CC2)=NC(N)=N1"	"?"	"InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)"	"LVQDKIWDGQRHTE-UHFFFAOYSA-N"	"3387.0"	"3"	"5"	"FALSE"	"TRUE"
"3185"	"10138-44-0"			"Public_CrossChecked"	"CCOC1CC(C)C=CO1"	"CC1CC(OC=C1)OCC"	"?"	"InChI=1S/C8H14O2/c1-3-9-8-6-7(2)4-5-10-8/h4-5,7-8H,3,6H2,1-2H3"	"FYICJILYYFSSLQ-UHFFFAOYSA-N"	"3400.0"	"3"	"5"	"FALSE"	"TRUE"
"3186"	"14617-95-9"	"DTXSID00163280"	"Butyric acid, p-methoxyphenyl ester"	"EPA_DSSTox"	"CCCC(=O)OC1=CC=C(OC)C=C1"	"COC1=CC=C(C=C1)OC(=O)CCC"	"?"	"InChI=1S/C11H14O3/c1-3-4-11(12)14-10-7-5-9(13-2)6-8-10/h5-8H,3-4H2,1-2H3"	"NMHGWSBHBWGJNC-UHFFFAOYSA-N"	"3400.0"	"3"	"5"	"FALSE"	"TRUE"
"3187"	"23978-55-4"	"DTXSID20178699"	"Cryptand 2.2"	"EPA_DSSTox"	"C1COCCOCCNCCOCCOCCN1"	"C1COCCNCCOCCOCCNCCO1"	"?"	"InChI=1S/C12H26N2O4/c1-5-15-9-10-17-7-3-14-4-8-18-12-11-16-6-2-13-1/h13-14H,1-12H2"	"NLMDJJTUQPXZFG-UHFFFAOYSA-N"	"3400.0"	"3"	"5"	"FALSE"	"TRUE"
"3188"	"41239-48-9"	"DTXSID70866039"	"Furan, 2,5-diethyltetrahydro-"	"EPA_DSSTox"	"CCC1CCC(CC)O1"	"CCC1CCC(CC)O1"	"?"	"InChI=1S/C8H16O/c1-3-7-5-6-8(4-2)9-7/h7-8H,3-6H2,1-2H3"	"YKWLEIXVUHRKEF-UHFFFAOYSA-N"	"3400.0"	"3"	"5"	"FALSE"	"TRUE"
"3189"	"6263-38-3"	"DTXSID80211672"	"Meturin"	"EPA_DSSTox"	"CNC(=O)N(O)C1=CC=CC=C1"	"CNC(=O)N(O)C1C=CC=CC=1"	"?"	"InChI=1S/C8H10N2O2/c1-9-8(11)10(12)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,9,11)"	"HLXRWUNSSVKCJL-UHFFFAOYSA-N"	"3400.0"	"3"	"5"	"FALSE"	"TRUE"
"3190"	"7681-76-7"	"DTXSID6045400"	"Ronidazole"	"EPA_DSSTox"	"CN1C(COC(N)=O)=NC=C1[N+]([O-])=O"	"CN1C(COC(N)=O)=NC=C1[N+]([O-])=O"	"?"	"InChI=1S/C6H8N4O4/c1-9-4(3-14-6(7)11)8-2-5(9)10(12)13/h2H,3H2,1H3,(H2,7,11)"	"PQFRTXSWDXZRRS-UHFFFAOYSA-N"	"3400.0"	"3"	"5"	"FALSE"	"TRUE"
"3191"	"1007-36-9"	"DTXSID1074416"	"N-Methyl-N'-phenylurea"	"EPA_DSSTox"	"CNC(=O)NC1=CC=CC=C1"	"CNC(=O)NC1=CC=CC=C1"	"?"	"InChI=1S/C8H10N2O/c1-9-8(11)10-7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,10,11)"	"SQBHGDSDVWCPHN-UHFFFAOYSA-N"	"3440.0"	"3"	"5"	"FALSE"	"TRUE"
"3192"	"106-22-9"	"DTXSID3026726"	"Citronellol"	"EPA_DSSTox"	"CC(CCO)CCC=C(C)C"	"CC(CCO)CCC=C(C)C"	"?"	"InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3"	"QMVPMAAFGQKVCJ-UHFFFAOYSA-N"	"3450.0"	"3"	"5"	"FALSE"	"TRUE"
"3193"	"93-29-8"	"DTXSID0052625"	"Isoeugenyl acetate"	"EPA_DSSTox"	"COC1=C(OC(C)=O)C=CC(C=CC)=C1"	"CC(=O)OC1=CC=C(C=C1OC)C=CC"	"?"	"InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3"	"IUSBVFZKQJGVEP-UHFFFAOYSA-N"	"3450.0"	"3"	"5"	"FALSE"	"TRUE"
"3194"	"37350-58-6"	"DTXSID2023309"	"Metoprolol"	"EPA_DSSTox"	"COCCC1=CC=C(OCC(O)CNC(C)C)C=C1"	"CC(C)NCC(O)COC1=CC=C(CCOC)C=C1"	"?"	"InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3"	"IUBSYMUCCVWXPE-UHFFFAOYSA-N"	"3470.0"	"3"	"5"	"FALSE"	"TRUE"
"3195"	"10605-10-4"	"DTXSID5041510"	"4-Chloro-2-phenylphenol sodium salt"	"EPA_DSSTox"	"[Na+].[O-]C1=C(C=C(Cl)C=C1)C1=CC=CC=C1"	"OC1=CC=C(Cl)C=C1C1C=CC=CC=1"	"[Na+]"	"InChI=1S/C12H9ClO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,14H"	"DSQWWSVOIGUHAE-UHFFFAOYSA-N"	"3500.0"	"3"	"5"	"FALSE"	"TRUE"
"3196"	"133-90-4"	"DTXSID2020262"	"Chloramben"	"EPA_DSSTox"	"NC1=C(Cl)C(=CC(Cl)=C1)C(O)=O"	"NC1C=C(Cl)C=C(C(O)=O)C=1Cl"	"?"	"InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12)"	"HSSBORCLYSCBJR-UHFFFAOYSA-N"	"3500.0"	"3"	"5"	"FALSE"	"TRUE"
"3197"	"1476-53-5"	"DTXSID9023386"	"Novobiocin sodium"	"EPA_DSSTox"	"[Na+].CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](OC2=CC=C3C([O-])=C(NC(=O)C4=CC=C(O)C(CC=C(C)C)=C4)C(=O)OC3=C2C)OC1(C)C"	"CC(C)=CCC1C=C(C=CC=1O)C(=O)NC1C(=O)OC2C(=CC=C(OC3OC(C)(C)C(OC)C(OC(N)=O)C3O)C=2C)C=1O"	"[Na+]"	"InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)"	"YJQPYGGHQPGBLI-UHFFFAOYSA-N"	"3500.0"	"3"	"5"	"FALSE"	"TRUE"
"3198"	"3347-30-6"	"DTXSID10187114"	"Phosphorotrithioic acid, O,S,S-triethyl ester"	"EPA_DSSTox"	"CCOP(=S)(SCC)SCC"	"CCOP(=S)(SCC)SCC"	"?"	"InChI=1S/C6H15OPS3/c1-4-7-8(9,10-5-2)11-6-3/h4-6H2,1-3H3"	"SJQKMVSYJWSDSI-UHFFFAOYSA-N"	"3500.0"	"3"	"5"	"FALSE"	"TRUE"
"3199"	"5344-27-4"	"DTXSID4044953"	"2-(Pyridin-4-yl)ethanol"	"EPA_DSSTox"	"OCCC1=CC=NC=C1"	"OCCC1C=CN=CC=1"	"?"	"InChI=1S/C7H9NO/c9-6-3-7-1-4-8-5-2-7/h1-2,4-5,9H,3,6H2"	"DWPYQDGDWBKJQL-UHFFFAOYSA-N"	"3500.0"	"3"	"5"	"FALSE"	"TRUE"
"3200"	"63992-41-6"	"DTXSID10213962"	"2-Biphenylol, 6-chloro-, sodium salt"	"EPA_DSSTox"	"[Na+].[O-]C1=C(C(Cl)=CC=C1)C1=CC=CC=C1"	"OC1C=CC=C(Cl)C=1C1C=CC=CC=1"	"[Na+]"	"InChI=1S/C12H9ClO/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h1-8,14H"	"KPFPEXKMIDAQNO-UHFFFAOYSA-N"	"3500.0"	"3"	"5"	"FALSE"	"TRUE"
"3201"	"88-86-8"	"DTXSID3041372"	"2,5-Dichloro-3-nitrobenzoic acid"	"EPA_DSSTox"	"OC(=O)C1=C(Cl)C(=CC(Cl)=C1)[N+]([O-])=O"	"[O-][N+](=O)C1=CC(Cl)=CC(C(O)=O)=C1Cl"	"?"	"InChI=1S/C7H3Cl2NO4/c8-3-1-4(7(11)12)6(9)5(2-3)10(13)14/h1-2H,(H,11,12)"	"AUAXYMOBWXOEQD-UHFFFAOYSA-N"	"3500.0"	"3"	"5"	"FALSE"	"TRUE"
"3202"	"99-72-9"	"DTXSID6052665"	"2-(4-Methylphenyl)propanal"	"EPA_DSSTox"	"CC(C=O)C1=CC=C(C)C=C1"	"CC1C=CC(=CC=1)C(C)C=O"	"?"	"InChI=1S/C10H12O/c1-8-3-5-10(6-4-8)9(2)7-11/h3-7,9H,1-2H3"	"JTZWVKUZBNHSSW-UHFFFAOYSA-N"	"3500.0"	"3"	"5"	"FALSE"	"TRUE"
"3203"	"5431-33-4"			"Public_CrossChecked"	"CCCCCCCCC=CCCCCCCCC(=O)OCC1CO1"	"CCCCCCCCC=CCCCCCCCC(=O)OCC1CO1"	"?"	"InChI=1S/C21H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)24-19-20-18-23-20/h9-10,20H,2-8,11-19H2,1H3"	"VWYIWOYBERNXLX-UHFFFAOYSA-N"	"3520.0"	"3"	"5"	"FALSE"	"TRUE"
"3204"	"59607-71-5"	"DTXSID5069338"	"Thiocyanic acid, 4-methoxy-2-nitrophenyl ester"	"EPA_DSSTox"	"COC1=CC(=C(SC#N)C=C1)[N+]([O-])=O"	"COC1=CC(=C(C=C1)SC#N)[N+]([O-])=O"	"?"	"InChI=1S/C8H6N2O3S/c1-13-6-2-3-8(14-5-9)7(4-6)10(11)12/h2-4H,1H3"	"NZBABHFYCIWRBJ-UHFFFAOYSA-N"	"3536.0"	"3"	"5"	"FALSE"	"TRUE"
"3205"	"14976-57-9"	"DTXSID6047785"	"Clemastine fumarate"	"EPA_DSSTox"	"OC(=O)\C=C\C(O)=O.CN1CCC[C@@H]1CCO[C@](C)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1"	"CN1CCCC1CCOC(C)(C1C=CC=CC=1)C1C=CC(Cl)=CC=1"	"C(/C=C/C(=O)O)(=O)O"	"InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3"	"YNNUSGIPVFPVBX-UHFFFAOYSA-N"	"3550.0"	"3"	"5"	"FALSE"	"TRUE"
"3206"	"108-82-7"	"DTXSID8026802"	"2,6-Dimethyl-4-heptanol"	"EPA_DSSTox"	"CC(C)CC(O)CC(C)C"	"CC(C)CC(O)CC(C)C"	"?"	"InChI=1S/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3"	"HXQPUEQDBSPXTE-UHFFFAOYSA-N"	"3560.0"	"3"	"5"	"FALSE"	"TRUE"
"3207"	"2265-64-7"	"DTXSID3057690"	"Dexamethasone isonicotinate"	"EPA_DSSTox"	"C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C1=CC=NC=C1"	"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)C1C=CN=CC=1"	"?"	"InChI=1S/C28H32FNO6/c1-16-12-21-20-5-4-18-13-19(31)6-9-25(18,2)27(20,29)22(32)14-26(21,3)28(16,35)23(33)15-36-24(34)17-7-10-30-11-8-17/h6-11,13,16,20-22,32,35H,4-5,12,14-15H2,1-3H3"	"BQTXJHAJMDGOFI-UHFFFAOYSA-N"	"3562.0"	"3"	"5"	"FALSE"	"TRUE"
"3208"	"7247-57-6"			"Public_CrossChecked"	"[Br-].C[N+]1(C)CCC(C1)OC(=O)C(O)(c1cccs1)c1ccccc1"	"C[N+]1(C)CC(CC1)OC(=O)C(O)(C1=CC=CS1)C1C=CC=CC=1"	"[Br-]"	"InChI=1S/C18H22NO3S/c1-19(2)11-10-15(13-19)22-17(20)18(21,16-9-6-12-23-16)14-7-4-3-5-8-14/h3-9,12,15,21H,10-11,13H2,1-2H3/q+1"	"IGWCFPFGZULDHY-UHFFFAOYSA-N"	"3576.0"	"3"	"5"	"FALSE"	"TRUE"
"3209"	"793-24-8"	"DTXSID9025114"	"N-(1,3-Dimethylbutyl)-N'-phenyl-p-phenylenediamine"	"EPA_DSSTox"	"CC(C)CC(C)NC1=CC=C(NC2=CC=CC=C2)C=C1"	"CC(C)CC(C)NC1C=CC(=CC=1)NC1C=CC=CC=1"	"?"	"InChI=1S/C18H24N2/c1-14(2)13-15(3)19-17-9-11-18(12-10-17)20-16-7-5-4-6-8-16/h4-12,14-15,19-20H,13H2,1-3H3"	"ZZMVLMVFYMGSMY-UHFFFAOYSA-N"	"3580.0"	"3"	"5"	"FALSE"	"TRUE"
"3210"	"1248-42-6"	"DTXSID7046461"	"Pitofenone hydrochloride"	"EPA_DSSTox"	"Cl.COC(=O)C1=CC=CC=C1C(=O)C1=CC=C(OCCN2CCCCC2)C=C1"	"COC(=O)C1=CC=CC=C1C(=O)C1=CC=C(C=C1)OCCN1CCCCC1"	"Cl"	"InChI=1S/C22H25NO4/c1-26-22(25)20-8-4-3-7-19(20)21(24)17-9-11-18(12-10-17)27-16-15-23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-16H2,1H3"	"NZHMAQSCHUSSSJ-UHFFFAOYSA-N"	"3600.0"	"3"	"5"	"FALSE"	"TRUE"
"3211"	"19525-20-3"			"Public_CrossChecked"	"Cl.N1C2=CC=CC=C2N=C1C1=CSC=N1"	"C1=NC(=CS1)C1NC2C=CC=CC=2N=1"	"Cl"	"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"	"3600.0"	"3"	"5"	"FALSE"	"TRUE"
"3212"	"4658-28-0"	"DTXSID3041615"	"Aziprotryne"	"EPA_DSSTox"	"CSC1=NC(NC(C)C)=NC(N=[N+]=[N-])=N1"	"CSC1=NC(N=[N+]=N)=NC(NC(C)C)=N1"	"?"	"InChI=1S/C7H12N7S/c1-4(2)9-5-10-6(13-14-8)12-7(11-5)15-3/h4,8H,1-3H3,(H,9,10,11,12)/q+1"	"FXVNVCISKKOMKV-UHFFFAOYSA-N"	"3600.0"	"3"	"5"	"FALSE"	"TRUE"
"3213"	"86-26-0"	"DTXSID6052584"	"Biphenyl-2-yl methyl ether"	"EPA_DSSTox"	"COC1=CC=CC=C1C1=CC=CC=C1"	"COC1C=CC=CC=1C1C=CC=CC=1"	"?"	"InChI=1S/C13H12O/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,1H3"	"NLWCWEGVNJVLAX-UHFFFAOYSA-N"	"3600.0"	"3"	"5"	"FALSE"	"TRUE"
"3214"	"375-01-9"	"DTXSID4059914"	"1-Butanol, 2,2,3,3,4,4,4-heptafluoro-"	"EPA_DSSTox"	"OCC(F)(F)C(F)(F)C(F)(F)F"	"OCC(F)(F)C(F)(F)C(F)(F)F"	"?"	"InChI=1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2"	"WXJFKAZDSQLPBX-UHFFFAOYSA-N"	"3630.0"	"3"	"5"	"FALSE"	"TRUE"
"3215"	"99-85-4"	"DTXSID6041210"	"gamma-Terpinene"	"EPA_DSSTox"	"CC(C)C1=CCC(C)=CC1"	"CC1CC=C(CC=1)C(C)C"	"?"	"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3"	"YKFLAYDHMOASIY-UHFFFAOYSA-N"	"3650.0"	"3"	"5"	"FALSE"	"TRUE"
"3216"	"10058-07-8"	"DTXSID90143399"	"Pimefylline nicotinate"	"EPA_DSSTox"	"OC(=O)C1=CN=CC=C1.CN1C2=C(N(CCNCC3=CN=CC=C3)C=N2)C(=O)N(C)C1=O"	"CN1C2N=CN(CCNCC3C=NC=CC=3)C=2C(=O)N(C)C1=O"	"OC(=O)C1C=CC=NC=1"	"InChI=1S/C15H18N6O2/c1-19-13-12(14(22)20(2)15(19)23)21(10-18-13)7-6-17-9-11-4-3-5-16-8-11/h3-5,8,10,17H,6-7,9H2,1-2H3"	"CDHVRXOLGDSJGX-UHFFFAOYSA-N"	"3700.0"	"3"	"5"	"FALSE"	"TRUE"
"3217"	"163165-91-1"			"Public_CrossChecked"	"CC1(C)COC(N1)=C1C=CC=CC1=O"	"CC1(C)COC(=N1)C1C=CC=CC1=O"	"?"	"InChI=1S/C11H13NO2/c1-11(2)7-14-10(12-11)8-5-3-4-6-9(8)13/h3-6,8H,7H2,1-2H3"	"DXMFOILGULTISU-UHFFFAOYSA-N"	"3700.0"	"3"	"5"	"FALSE"	"TRUE"
"3218"	"4364-06-1"	"DTXSID1063433"	"Benzene, (3,3-dimethoxy-1-propenyl)-"	"EPA_DSSTox"	"COC(OC)C=CC1=CC=CC=C1"	"COC(C=CC1C=CC=CC=1)OC"	"?"	"InChI=1S/C11H14O2/c1-12-11(13-2)9-8-10-6-4-3-5-7-10/h3-9,11H,1-2H3"	"MBAOABFNWSOOLU-UHFFFAOYSA-N"	"3700.0"	"3"	"5"	"FALSE"	"TRUE"
"3219"	"121-03-9"	"DTXSID4026975"	"2-Methyl-5-nitrobenzenesulfonic acid"	"EPA_DSSTox"	"CC1=CC=C(C=C1S(O)(=O)=O)[N+]([O-])=O"	"CC1=CC=C(C=C1S(O)(=O)=O)[N+]([O-])=O"	"?"	"InChI=1S/C7H7NO5S/c1-5-2-3-6(8(9)10)4-7(5)14(11,12)13/h2-4H,1H3,(H,11,12,13)"	"ZDTXQHVBLWYPHS-UHFFFAOYSA-N"	"3710.0"	"3"	"5"	"FALSE"	"TRUE"
"3220"	"100-72-1"			"Public_CrossChecked"	"OCC1CCCCO1"	"OCC1CCCCO1"	"?"	"InChI=1S/C6H12O2/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2"	"ROTONRWJLXYJBD-UHFFFAOYSA-N"	"3730.0"	"3"	"5"	"FALSE"	"TRUE"
"3221"	"122-40-7"	"DTXSID8029157"	"Pentylcinnamaldehyde"	"EPA_DSSTox"	"CCCCCC(C=O)=CC1=CC=CC=C1"	"CCCCCC(C=O)=CC1C=CC=CC=1"	"?"	"InChI=1S/C14H18O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3"	"HMKKIXGYKWDQSV-UHFFFAOYSA-N"	"3730.0"	"3"	"5"	"FALSE"	"TRUE"
"3222"	"764-99-8"	"DTXSID6044985"	"{2-[2-(Ethenyloxy)ethoxy]ethoxy}ethene"	"EPA_DSSTox"	"C=COCCOCCOC=C"	"C=COCCOCCOC=C"	"?"	"InChI=1S/C8H14O3/c1-3-9-5-7-11-8-6-10-4-2/h3-4H,1-2,5-8H2"	"SAMJGBVVQUEMGC-UHFFFAOYSA-N"	"3730.0"	"3"	"5"	"FALSE"	"TRUE"
"3223"	"112665-43-7"	"DTXSID4021397"	"(+-)-7-(3,5,6-trimethyl-1,4-benzoquinon-2-yl)-7-phenylheptanoic acid"	"EPA_DSSTox"	"CC1=C(C)C(=O)C(C(CCCCCC(O)=O)C2=CC=CC=C2)=C(C)C1=O"	"CC1C(=O)C(C(CCCCCC(O)=O)C2C=CC=CC=2)=C(C)C(=O)C=1C"	"?"	"InChI=1S/C22H26O4/c1-14-15(2)22(26)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-11,18H,5,8-9,12-13H2,1-3H3,(H,23,24)"	"ZBVKEHDGYSLCCC-UHFFFAOYSA-N"	"3750.0"	"3"	"5"	"FALSE"	"TRUE"
"3224"	"2483-57-0"	"DTXSID10179539"	"Nitroacetic acid methyl ester"	"EPA_DSSTox"	"COC(=O)C[N+]([O-])=O"	"COC(=O)C[N+]([O-])=O"	"?"	"InChI=1S/C3H5NO4/c1-8-3(5)2-4(6)7/h2H2,1H3"	"ALBSWLMUHHZLLR-UHFFFAOYSA-N"	"3770.0"	"3"	"5"	"FALSE"	"TRUE"
"3225"	"82985-35-1"	"DTXSID6033825"	"3-(Trimethoxysilyl)-N-[3-(trimethoxysilyl)propyl]propan-1-amine"	"EPA_DSSTox"	"CO[Si](CCCNCCC[Si](OC)(OC)OC)(OC)OC"	"CO[Si](CCCNCCC[Si](OC)(OC)OC)(OC)OC"	"?"	"InChI=1S/C12H31NO6Si2/c1-14-20(15-2,16-3)11-7-9-13-10-8-12-21(17-4,18-5)19-6/h13H,7-12H2,1-6H3"	"TZZGHGKTHXIOMN-UHFFFAOYSA-N"	"3780.0"	"3"	"5"	"FALSE"	"TRUE"
"3226"	"115-71-9"	"DTXSID9051587"	"alpha-Santalol"	"EPA_DSSTox"	"C\C(CO)=C\CC[C@@]1(C)C2C[C@H]3[C@@H](C2)C13C"	"CC1(CCC=C(C)CO)C2CC3C(C2)C13C"	"?"	"InChI=1S/C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,11-13,16H,4,6-9H2,1-3H3"	"PDEQKAVEYSOLJX-UHFFFAOYSA-N"	"3800.0"	"3"	"5"	"FALSE"	"TRUE"
"3227"	"27007-85-8"	"DTXSID4023593"	"Spiclomazine hydrochloride"	"EPA_DSSTox"	"Cl.ClC1=CC2=C(SC3=C(C=CC=C3)N2CCCN2CCC3(CC2)NC(=O)CS3)C=C1"	"O=C1CSC2(CCN(CCCN3C4C=CC=CC=4SC4C=CC(Cl)=CC3=4)CC2)N1"	"Cl"	"InChI=1S/C22H24ClN3OS2/c23-16-6-7-20-18(14-16)26(17-4-1-2-5-19(17)29-20)11-3-10-25-12-8-22(9-13-25)24-21(27)15-28-22/h1-2,4-7,14H,3,8-13,15H2,(H,24,27)"	"CFOYBMUYCBSDAL-UHFFFAOYSA-N"	"3800.0"	"3"	"5"	"FALSE"	"TRUE"
"3228"	"63980-23-4"			"Public_CrossChecked"	"CCCCCCCCCC=CC(=O)OC(=O)C=CCCCCCCCCC"	"CCCCCCCCCC=CC(=O)OC(=O)C=CCCCCCCCCC"	"?"	"InChI=1S/C24H42O3/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-24(26)22-20-18-16-14-12-10-8-6-4-2/h19-22H,3-18H2,1-2H3"	"XNFGZQXMDBREDW-UHFFFAOYSA-N"	"3800.0"	"3"	"5"	"FALSE"	"TRUE"
"3229"	"98079-51-7"	"DTXSID4040680"	"Lomefloxacin"	"EPA_DSSTox"	"CCN1C=C(C(O)=O)C(=O)C2=C1C(F)=C(N1CCNC(C)C1)C(F)=C2"	"CCN1C=C(C(=O)C2C=C(F)C(=C(F)C1=2)N1CCNC(C)C1)C(O)=O"	"?"	"InChI=1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)"	"ZEKZLJVOYLTDKK-UHFFFAOYSA-N"	"3800.0"	"3"	"5"	"FALSE"	"TRUE"
"3230"	"88-04-0"	"DTXSID0032316"	"4-Chloro-3,5-dimethylphenol"	"EPA_DSSTox"	"CC1=CC(O)=CC(C)=C1Cl"	"CC1C=C(O)C=C(C)C=1Cl"	"?"	"InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3"	"OSDLLIBGSJNGJE-UHFFFAOYSA-N"	"3830.0"	"3"	"5"	"FALSE"	"TRUE"
"3231"	"141-01-5"	"DTXSID7047148"	"Ferrous fumarate"	"EPA_DSSTox"	"[Fe++].[O-]C(=O)\C=C\C([O-])=O"	"OC(=O)C=CC(O)=O"	"[Fe+2]"	"InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)"	"VZCYOOQTPOCHFL-UHFFFAOYSA-N"	"3850.0"	"3"	"5"	"FALSE"	"TRUE"
"3232"	"64058-93-1"	"DTXSID40214240"	"Acetamide, N-(5,6,7,8-tetrahydrocarbazol-1-yl)-"	"EPA_DSSTox"	"CC(=O)NC1=CC=CC2=C1NC1=C2CCCC1"	"CC(=O)NC1=CC=CC2=C1NC1CCCCC=12"	"?"	"InChI=1S/C14H16N2O/c1-9(17)15-13-8-4-6-11-10-5-2-3-7-12(10)16-14(11)13/h4,6,8,16H,2-3,5,7H2,1H3,(H,15,17)"	"IXJJJWNBDDIUGM-UHFFFAOYSA-N"	"3865.0"	"3"	"5"	"FALSE"	"TRUE"
"3233"	"4630-82-4"	"DTXSID9074303"	"Methyl cyclohexanecarboxylate"	"EPA_DSSTox"	"COC(=O)C1CCCCC1"	"COC(=O)C1CCCCC1"	"?"	"InChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3"	"ZQWPRMPSCMSAJU-UHFFFAOYSA-N"	"3881.0"	"3"	"5"	"FALSE"	"TRUE"
"3234"	"112-73-2"	"DTXSID8025046"	"Diethylene glycol dibutyl ether"	"EPA_DSSTox"	"CCCCOCCOCCOCCCC"	"CCCCOCCOCCOCCCC"	"?"	"InChI=1S/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H3"	"KZVBBTZJMSWGTK-UHFFFAOYSA-N"	"3900.0"	"3"	"5"	"FALSE"	"TRUE"
"3235"	"2491-06-7"	"DTXSID1062463"	"Glycine, N,N-dimethyl-, hydrochloride"	"EPA_DSSTox"	"Cl.CN(C)CC(O)=O"	"CN(C)CC(O)=O"	"Cl"	"InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)"	"FFDGPVCHZBVARC-UHFFFAOYSA-N"	"3900.0"	"3"	"5"	"FALSE"	"TRUE"
"3236"	"5716-15-4"	"DTXSID6025519"	"Maleic hydrazide diethanolamine"	"EPA_DSSTox"	"OCC[NH2+]CCO.[O-]C1=NNC(=O)C=C1"	"OC1C=CC(=O)NN=1"	"[NH2+](CCO)CCO"	"InChI=1S/C4H4N2O2/c7-3-1-2-4(8)6-5-3/h1-2H,(H,5,7)(H,6,8)"	"BGRDGMRNKXEXQD-UHFFFAOYSA-N"	"3900.0"	"3"	"5"	"FALSE"	"TRUE"
"3237"	"64204-55-3"	"DTXSID0046147"	"Esaprazole"	"EPA_DSSTox"	"O=C(CN1CCNCC1)NC1CCCCC1"	"O=C(CN1CCNCC1)NC1CCCCC1"	"?"	"InChI=1S/C12H23N3O/c16-12(10-15-8-6-13-7-9-15)14-11-4-2-1-3-5-11/h11,13H,1-10H2,(H,14,16)"	"RTFADALJKSFJDZ-UHFFFAOYSA-N"	"3900.0"	"3"	"5"	"FALSE"	"TRUE"
"3238"	"764-48-7"	"DTXSID4075457"	"Ethylene glycol monovinyl ether"	"EPA_DSSTox"	"OCCOC=C"	"C=COCCO"	"?"	"InChI=1S/C4H8O2/c1-2-6-4-3-5/h2,5H,1,3-4H2"	"VUIWJRYTWUGOOF-UHFFFAOYSA-N"	"3910.0"	"3"	"5"	"FALSE"	"TRUE"
"3239"	"765-05-9"	"DTXSID9061095"	"Decane, 1-(ethenyloxy)-"	"EPA_DSSTox"	"CCCCCCCCCCOC=C"	"CCCCCCCCCCOC=C"	"?"	"InChI=1S/C12H24O/c1-3-5-6-7-8-9-10-11-12-13-4-2/h4H,2-3,5-12H2,1H3"	"NSOAQRMLVFRWIT-UHFFFAOYSA-N"	"3940.0"	"3"	"5"	"FALSE"	"TRUE"
"3240"	"3289-28-9"	"DTXSID7062958"	"Cyclohexanecarboxylic acid, ethyl ester"	"EPA_DSSTox"	"CCOC(=O)C1CCCCC1"	"CCOC(=O)C1CCCCC1"	"?"	"InChI=1S/C9H16O2/c1-2-11-9(10)8-6-4-3-5-7-8/h8H,2-7H2,1H3"	"JJOYCHKVKWDMEA-UHFFFAOYSA-N"	"3962.0"	"3"	"5"	"FALSE"	"TRUE"
"3241"	"10274-44-9"			"Public_CrossChecked"	"CCC(CC)C(=O)NC(=Cc1ccc(OC)cc1)C(O)=O"	"COC1C=CC(CC(=NC(=O)C(CC)CC)C(O)=O)=CC=1"	"?"	"InChI=1S/C16H21NO4/c1-4-12(5-2)15(18)17-14(16(19)20)10-11-6-8-13(21-3)9-7-11/h6-9,12H,4-5,10H2,1-3H3,(H,19,20)"	"YMUMPQXZMVKAIA-UHFFFAOYSA-N"	"4000.0"	"3"	"5"	"FALSE"	"TRUE"
"3242"	"110-48-5"	"DTXSID10149090"	"1-Propanol, 3-isopropoxy-"	"EPA_DSSTox"	"CC(C)OCCCO"	"CC(C)OCCCO"	"?"	"InChI=1S/C6H14O2/c1-6(2)8-5-3-4-7/h6-7H,3-5H2,1-2H3"	"GBSGXZBOFKJGMG-UHFFFAOYSA-N"	"4000.0"	"3"	"5"	"FALSE"	"TRUE"
"3243"	"122-70-3"	"DTXSID6035156"	"2-Phenylethyl propionate"	"EPA_DSSTox"	"CCC(=O)OCCC1=CC=CC=C1"	"CCC(=O)OCCC1C=CC=CC=1"	"?"	"InChI=1S/C11H14O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3"	"HVGZQCSMLUDISR-UHFFFAOYSA-N"	"4000.0"	"3"	"5"	"FALSE"	"TRUE"
"3244"	"13344-50-8"	"DTXSID40158110"	"N-Nitrososarcosine ethyl ester"	"EPA_DSSTox"	"CCOC(=O)CN(C)N=O"	"CCOC(=O)CN(C)N=O"	"?"	"InChI=1S/C5H10N2O3/c1-3-10-5(8)4-7(2)6-9/h3-4H2,1-2H3"	"IIGUXNQRQSATOU-UHFFFAOYSA-N"	"4000.0"	"3"	"5"	"FALSE"	"TRUE"
"3245"	"18664-94-3"	"DTXSID60171927"	"Propanenitrile, 3,3'-(1,4-butanediylbis(oxy))bis-"	"EPA_DSSTox"	"N#CCCOCCCCOCCC#N"	"N#CCCOCCCCOCCC#N"	"?"	"InChI=1S/C10H16N2O2/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h1-4,7-10H2"	"RCRNVWKZQROUJM-UHFFFAOYSA-N"	"4000.0"	"3"	"5"	"FALSE"	"TRUE"
"3246"	"25087-34-7"			"Public_CrossChecked"	"C=C.CCC=C"	"CCC=C"	"C=C"	"InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3"	"VXNZUUAINFGPBY-UHFFFAOYSA-N"	"4000.0"	"3"	"5"	"FALSE"	"TRUE"
"3247"	"3160-37-0"	"DTXSID7025926"	"Piperonal acetone"	"EPA_DSSTox"	"CC(=O)C=CC1=CC=C2OCOC2=C1"	"CC(=O)C=CC1C=C2OCOC2=CC=1"	"?"	"InChI=1S/C11H10O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h2-6H,7H2,1H3"	"XIYPXOFSURQTTJ-UHFFFAOYSA-N"	"4000.0"	"3"	"5"	"FALSE"	"TRUE"
"3248"	"41483-43-6"	"DTXSID6041688"	"Bupirimate"	"EPA_DSSTox"	"CCCCC1=C(OS(=O)(=O)N(C)C)N=C(NCC)N=C1C"	"CC1N=C(NCC)N=C(OS(=O)(=O)N(C)C)C=1CCCC"	"?"	"InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)"	"DSKJPMWIHSOYEA-UHFFFAOYSA-N"	"4000.0"	"3"	"5"	"FALSE"	"TRUE"
"3249"	"52947-35-0"			"Public_CrossChecked"	"CCOC(N)=C1Sc2ccccc2C1=O"	"CCOC(=N)C1SC2C=CC=CC=2C1=O"	"?"	"InChI=1S/C11H11NO2S/c1-2-14-11(12)10-9(13)7-5-3-4-6-8(7)15-10/h3-6,10,12H,2H2,1H3"	"UGMGCRYHOMZJNM-UHFFFAOYSA-N"	"4000.0"	"3"	"5"	"FALSE"	"TRUE"
"3250"	"63867-17-4"	"DTXSID10213301"	"Butyric acid, 2-ethyl-, 2,2,2-tribromoethyl ester"	"EPA_DSSTox"	"CCC(CC)C(=O)OCC(Br)(Br)Br"	"CCC(CC)C(=O)OCC(Br)(Br)Br"	"?"	"InChI=1S/C8H13Br3O2/c1-3-6(4-2)7(12)13-5-8(9,10)11/h6H,3-5H2,1-2H3"	"KRTPZDITOONUEW-UHFFFAOYSA-N"	"4000.0"	"3"	"5"	"FALSE"	"TRUE"
"3251"	"65-23-6"	"DTXSID4023541"	"Pyridoxine"	"EPA_DSSTox"	"CC1=C(O)C(CO)=C(CO)C=N1"	"CC1N=CC(CO)=C(CO)C=1O"	"?"	"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"	"4000.0"	"3"	"5"	"FALSE"	"TRUE"
"3252"	"772-46-3"			"Public_CrossChecked"	"CCC(C)(O)Cc1ccccc1"	"CCC(C)(O)CC1C=CC=CC=1"	"?"	"InChI=1S/C11H16O/c1-3-11(2,12)9-10-7-5-4-6-8-10/h4-8,12H,3,9H2,1-2H3"	"FTZBYXCNXOPJEL-UHFFFAOYSA-N"	"4000.0"	"3"	"5"	"FALSE"	"TRUE"
"3253"	"91161-71-6"	"DTXSID2023640"	"Terbinafine"	"EPA_DSSTox"	"CN(C\C=C\C#CC(C)(C)C)CC1=CC=CC2=CC=CC=C12"	"CN(CC1=CC=CC2C=CC=CC1=2)CC=CC#CC(C)(C)C"	"?"	"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"	"4000.0"	"3"	"5"	"FALSE"	"TRUE"
"3254"	"27318-86-1"	"DTXSID00181762"	"Floverine [INN:DCF]"	"EPA_DSSTox"	"COC1=CC(OCCO)=CC(OC)=C1"	"COC1C=C(C=C(C=1)OC)OCCO"	"?"	"InChI=1S/C10H14O4/c1-12-8-5-9(13-2)7-10(6-8)14-4-3-11/h5-7,11H,3-4H2,1-2H3"	"WWCVTBASZDLZAC-UHFFFAOYSA-N"	"4050.0"	"3"	"5"	"FALSE"	"TRUE"
"3255"	"26175-68-8"	"DTXSID5067182"	"Benzenesulfonamide, 4-amino-2,5-dichloro-N,N-dimethyl-"	"EPA_DSSTox"	"CN(C)S(=O)(=O)C1=C(Cl)C=C(N)C(Cl)=C1"	"CN(C)S(=O)(=O)C1C=C(Cl)C(N)=CC=1Cl"	"?"	"InChI=1S/C8H10Cl2N2O2S/c1-12(2)15(13,14)8-4-5(9)7(11)3-6(8)10/h3-4H,11H2,1-2H3"	"RVDTXDMZBHZDCD-UHFFFAOYSA-N"	"4087.0"	"3"	"5"	"FALSE"	"TRUE"
"3256"	"10540-29-1"	"DTXSID1034187"	"Tamoxifen"	"EPA_DSSTox"	"CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1"	"CCC(=C(C1C=CC=CC=1)C1C=CC(=CC=1)OCCN(C)C)C1C=CC=CC=1"	"?"	"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"	"4100.0"	"3"	"5"	"FALSE"	"TRUE"
"3257"	"3558-60-9"	"DTXSID1052032"	"(2-Methoxyethyl)benzene"	"EPA_DSSTox"	"COCCC1=CC=CC=C1"	"COCCC1C=CC=CC=1"	"?"	"InChI=1S/C9H12O/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3"	"CQLYXIUHVFRXLT-UHFFFAOYSA-N"	"4100.0"	"3"	"5"	"FALSE"	"TRUE"
"3258"	"68133-72-2"	"DTXSID40887175"	"Acetaldehyde, [(3Z)-3-hexen-1-yloxy]-"	"EPA_DSSTox"	"CC\C=C/CCOCC=O"	"CCC=CCCOCC=O"	"?"	"InChI=1S/C8H14O2/c1-2-3-4-5-7-10-8-6-9/h3-4,6H,2,5,7-8H2,1H3"	"WNAJHTHKGZCCGS-UHFFFAOYSA-N"	"4100.0"	"3"	"5"	"FALSE"	"TRUE"
"3259"	"72214-01-8"	"DTXSID7047988"	"2-Ethylhexyl hydrogen sulfate"	"EPA_DSSTox"	"CCCCC(CC)COS(O)(=O)=O"	"CCCCC(COS(O)(=O)=O)CC"	"?"	"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"	"4125.0"	"3"	"5"	"FALSE"	"TRUE"
"3260"	"32852-92-9"	"DTXSID4067727"	"Ethanone, 1-(3-phenoxyphenyl)-"	"EPA_DSSTox"	"CC(=O)C1=CC=CC(OC2=CC=CC=C2)=C1"	"CC(=O)C1C=C(C=CC=1)OC1C=CC=CC=1"	"?"	"InChI=1S/C14H12O2/c1-11(15)12-6-5-9-14(10-12)16-13-7-3-2-4-8-13/h2-10H,1H3"	"FZCDBGYCFVKRDV-UHFFFAOYSA-N"	"4160.0"	"3"	"5"	"FALSE"	"TRUE"
"3261"	"137-32-6"	"DTXSID5027069"	"2-Methyl-1-butanol"	"EPA_DSSTox"	"CCC(C)CO"	"CCC(C)CO"	"?"	"InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3"	"QPRQEDXDYOZYLA-UHFFFAOYSA-N"	"4172.0"	"3"	"5"	"FALSE"	"TRUE"
"3262"	"64038-52-4"			"Public_CrossChecked"	"C(C1CO1)c1cccc(CC2CO2)c1"	"C(C1CO1)C1=CC(CC2CO2)=CC=C1"	"?"	"InChI=1S/C12H14O2/c1-2-9(5-11-7-13-11)4-10(3-1)6-12-8-14-12/h1-4,11-12H,5-8H2"	"AGXAFZNONAXBOS-UHFFFAOYSA-N"	"4190.0"	"3"	"5"	"FALSE"	"TRUE"
"3263"	"2909-38-8"	"DTXSID1062702"	"m-Chlorophenyl isocyanate"	"EPA_DSSTox"	"ClC1=CC=CC(=C1)N=C=O"	"O=C=NC1C=CC=C(Cl)C=1"	"?"	"InChI=1S/C7H4ClNO/c8-6-2-1-3-7(4-6)9-5-10/h1-4H"	"HHIRBXHEYVDUAM-UHFFFAOYSA-N"	"4200.0"	"3"	"5"	"FALSE"	"TRUE"
"3264"	"78755-81-4"	"DTXSID2023064"	"Flumazenil"	"EPA_DSSTox"	"CCOC(=O)C1=C2CN(C)C(=O)C3=CC(F)=CC=C3N2C=N1"	"CN1CC2=C(N=CN2C2=CC=C(F)C=C2C1=O)C(=O)OCC"	"?"	"InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3"	"OFBIFZUFASYYRE-UHFFFAOYSA-N"	"4200.0"	"3"	"5"	"FALSE"	"TRUE"
"3265"	"4435-53-4"	"DTXSID2052106"	"3-Methoxybutyl acetate"	"EPA_DSSTox"	"COC(C)CCOC(C)=O"	"COC(C)CCOC(C)=O"	"?"	"InChI=1S/C7H14O3/c1-6(9-3)4-5-10-7(2)8/h6H,4-5H2,1-3H3"	"QMYGFTJCQFEDST-UHFFFAOYSA-N"	"4210.0"	"3"	"5"	"FALSE"	"TRUE"
"3266"	"102-79-4"	"DTXSID1044354"	"N-Butyldiethanolamine"	"EPA_DSSTox"	"CCCCN(CCO)CCO"	"CCCCN(CCO)CCO"	"?"	"InChI=1S/C8H19NO2/c1-2-3-4-9(5-7-10)6-8-11/h10-11H,2-8H2,1H3"	"GVNHOISKXMSMPX-UHFFFAOYSA-N"	"4250.0"	"3"	"5"	"FALSE"	"TRUE"
"3267"	"7149-26-0"	"DTXSID2025503"	"Linalyl anthranilate"	"EPA_DSSTox"	"CC(C)=CCCC(C)(OC(=O)C1=CC=CC=C1N)C=C"	"CC(C)=CCCC(C)(C=C)OC(=O)C1=CC=CC=C1N"	"?"	"InChI=1S/C17H23NO2/c1-5-17(4,12-8-9-13(2)3)20-16(19)14-10-6-7-11-15(14)18/h5-7,9-11H,1,8,12,18H2,2-4H3"	"WHIJSULEEDNKPD-UHFFFAOYSA-N"	"4250.0"	"3"	"5"	"FALSE"	"TRUE"
"3268"	"60264-83-7"	"DTXSID20209018"	"o-Mentha-1,4-diene"	"EPA_DSSTox"	"CC(C)C1=C(C)CC=CC1"	"CC1CC=CCC=1C(C)C"	"?"	"InChI=1S/C10H16/c1-8(2)10-7-5-4-6-9(10)3/h4-5,8H,6-7H2,1-3H3"	"RXFJXUYDBQZLSW-UHFFFAOYSA-N"	"4270.0"	"3"	"5"	"FALSE"	"TRUE"
"3269"	"1985-84-8"	"DTXSID60883710"	"Hexanedioic acid, 1,6-bis[(4-methyl-7-oxabicyclo[4.1.0]hept-3-yl)methyl] ester"	"EPA_DSSTox"	"CC1CC2OC2CC1COC(=O)CCCCC(=O)OCC1CC2OC2CC1C"	"CC1CC2OC2CC1COC(=O)CCCCC(=O)OCC1CC2OC2CC1C"	"?"	"InChI=1S/C22H34O6/c1-13-7-17-19(27-17)9-15(13)11-25-21(23)5-3-4-6-22(24)26-12-16-10-20-18(28-20)8-14(16)2/h13-20H,3-12H2,1-2H3"	"LMMDJMWIHPEQSJ-UHFFFAOYSA-N"	"4290.0"	"3"	"5"	"FALSE"	"TRUE"
"3270"	"52578-56-0"	"DTXSID60200549"	"Sulfide, bis(dihydroxyphenyl)"	"EPA_DSSTox"	"OC1=CC(SC2=CC(O)=CC(O)=C2)=CC(O)=C1"	"OC1=CC(O)=CC(=C1)SC1=CC(O)=CC(O)=C1"	"?"	"InChI=1S/C12H10O4S/c13-7-1-8(14)4-11(3-7)17-12-5-9(15)2-10(16)6-12/h1-6,13-16H"	"SQOKGOOYYFKAJJ-UHFFFAOYSA-N"	"4290.0"	"3"	"5"	"FALSE"	"TRUE"
"3271"	"10258-54-5"	"DTXSID0038831"	"2-Methoxyethyl cyanoacetate"	"EPA_DSSTox"	"COCCOC(=O)CC#N"	"COCCOC(=O)CC#N"	"?"	"InChI=1S/C6H9NO3/c1-9-4-5-10-6(8)2-3-7/h2,4-5H2,1H3"	"SGLKIEOMYXTGBH-UHFFFAOYSA-N"	"4300.0"	"3"	"5"	"FALSE"	"TRUE"
"3272"	"17609-32-4"			"Public_CrossChecked"	"CC=CC=CC=CC(C)=O"	"CC=CC=CC=CC(C)=O"	"?"	"InChI=1S/C9H12O/c1-3-4-5-6-7-8-9(2)10/h3-8H,1-2H3"	"YHVZVLYNHHTMSL-UHFFFAOYSA-N"	"4300.0"	"3"	"5"	"FALSE"	"TRUE"
"3273"	"53188-07-1"	"DTXSID60866306"	"2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-"	"EPA_DSSTox"	"CC1=C(C)C2=C(CCC(C)(O2)C(O)=O)C(C)=C1O"	"CC1C2CCC(C)(OC=2C(C)=C(C)C=1O)C(O)=O"	"?"	"InChI=1S/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17)"	"GLEVLJDDWXEYCO-UHFFFAOYSA-N"	"4300.0"	"3"	"5"	"FALSE"	"TRUE"
"3274"	"927-07-1"	"DTXSID2027339"	"Propaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester"	"EPA_DSSTox"	"CC(C)(C)OOC(=O)C(C)(C)C"	"CC(C)(C)OOC(=O)C(C)(C)C"	"?"	"InChI=1S/C9H18O3/c1-8(2,3)7(10)11-12-9(4,5)6/h1-6H3"	"OPQYOFWUFGEMRZ-UHFFFAOYSA-N"	"4300.0"	"3"	"5"	"FALSE"	"TRUE"
"3275"	"74007-97-9"			"Public_CrossChecked"	"CC1(C)SCN(C1C(O)=O)C(=O)C1(CCCCC1)Oc1ccc(Cl)cc1"	"CC1(C)SCN(C1C(O)=O)C(=O)C1(CCCCC1)OC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C19H24ClNO4S/c1-18(2)15(16(22)23)21(12-26-18)17(24)19(10-4-3-5-11-19)25-14-8-6-13(20)7-9-14/h6-9,15H,3-5,10-12H2,1-2H3,(H,22,23)"	"RAXLZMWZQCBDDM-UHFFFAOYSA-N"	"4350.0"	"3"	"5"	"FALSE"	"TRUE"
"3276"	"120-61-6"	"DTXSID0020498"	"Dimethyl terephthalate"	"EPA_DSSTox"	"COC(=O)C1=CC=C(C=C1)C(=O)OC"	"COC(=O)C1C=CC(=CC=1)C(=O)OC"	"?"	"InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3"	"WOZVHXUHUFLZGK-UHFFFAOYSA-N"	"4390.0"	"3"	"5"	"FALSE"	"TRUE"
"3277"	"462-06-6"	"DTXSID4025329"	"Fluorobenzene"	"EPA_DSSTox"	"FC1=CC=CC=C1"	"FC1C=CC=CC=1"	"?"	"InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H"	"PYLWMHQQBFSUBP-UHFFFAOYSA-N"	"4399.0"	"3"	"5"	"FALSE"	"TRUE"
"3278"	"135159-51-2"	"DTXSID8046662"	"Sarpogrelate hydrochloride"	"EPA_DSSTox"	"Cl.COC1=CC(CCC2=CC=CC=C2OCC(CN(C)C)OC(=O)CCC(O)=O)=CC=C1"	"COC1C=C(CCC2C=CC=CC=2OCC(CN(C)C)OC(=O)CCC(O)=O)C=CC=1"	"Cl"	"InChI=1S/C24H31NO6/c1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27)"	"FFYNAVGJSYHHFO-UHFFFAOYSA-N"	"4400.0"	"3"	"5"	"FALSE"	"TRUE"
"3279"	"339-43-5"	"DTXSID8022741"	"Carbutamide"	"EPA_DSSTox"	"CCCCNC(=O)NS(=O)(=O)C1=CC=C(N)C=C1"	"CCCCNC(=O)NS(=O)(=O)C1=CC=C(N)C=C1"	"?"	"InChI=1S/C11H17N3O3S/c1-2-3-8-13-11(15)14-18(16,17)10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3,(H2,13,14,15)"	"VDTNNGKXZGSZIP-UHFFFAOYSA-N"	"4400.0"	"3"	"5"	"FALSE"	"TRUE"
"3280"	"7492-44-6"	"DTXSID7052490"	"1-Phenylhexan-2-one"	"EPA_DSSTox"	"CCCCC(=O)CC1=CC=CC=C1"	"CCCCC(=O)CC1C=CC=CC=1"	"?"	"InChI=1S/C12H16O/c1-2-3-9-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3"	"DYQAZJQDLPPHNB-UHFFFAOYSA-N"	"4400.0"	"3"	"5"	"FALSE"	"TRUE"
"3281"	"79902-63-9"	"DTXSID0023581"	"Simvastatin"	"EPA_DSSTox"	"CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12"	"CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21"	"?"	"InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3"	"RYMZZMVNJRMUDD-UHFFFAOYSA-N"	"4438.0"	"3"	"5"	"FALSE"	"TRUE"
"3282"	"26605-69-6"			"Public_CrossChecked"	"[Na+].CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccc4CCCc4c3)c3ccccc3)C(=O)N2[C@H]1C([O-])=O"	"CC1(C)SC2C(NC(=O)C(C3C=CC=CC=3)C(=O)OC3=CC4CCCC=4C=C3)C(=O)N2C1C(O)=O"	"[Na+]"	"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"	"4450.0"	"3"	"5"	"FALSE"	"TRUE"
"3283"	"513-37-1"	"DTXSID5020520"	"2,2-Dimethylvinyl chloride"	"EPA_DSSTox"	"CC(C)=CCl"	"CC(C)=CCl"	"?"	"InChI=1S/C4H7Cl/c1-4(2)3-5/h3H,1-2H3"	"KWISWUFGPUHDRY-UHFFFAOYSA-N"	"4465.0"	"3"	"5"	"FALSE"	"TRUE"
"3284"	"41890-92-0"	"DTXSID5052090"	"7-Methoxy-3,7-dimethyloctan-2-ol"	"EPA_DSSTox"	"COC(C)(C)CCCC(C)C(C)O"	"CC(CCCC(C)(C)OC)C(C)O"	"?"	"InChI=1S/C11H24O2/c1-9(10(2)12)7-6-8-11(3,4)13-5/h9-10,12H,6-8H2,1-5H3"	"ZJVRYPHKSDHLTC-UHFFFAOYSA-N"	"4490.0"	"3"	"5"	"FALSE"	"TRUE"
"3285"	"1117-37-9"			"Public_CrossChecked"	"CCOC(=O)C=CN(C)C"	"CCOC(=O)C=CN(C)C"	"?"	"InChI=1S/C7H13NO2/c1-4-10-7(9)5-6-8(2)3/h5-6H,4H2,1-3H3"	"MVUMJYQUKKUOHO-UHFFFAOYSA-N"	"4500.0"	"3"	"5"	"FALSE"	"TRUE"
"3286"	"31868-18-5"	"DTXSID9057715"	"Mexazolam"	"EPA_DSSTox"	"CC1COC2(N1CC(=O)NC1=CC=C(Cl)C=C21)C1=CC=CC=C1Cl"	"CC1COC2(C3=CC(Cl)=CC=C3NC(=O)CN21)C1=CC=CC=C1Cl"	"?"	"InChI=1S/C18H16Cl2N2O2/c1-11-10-24-18(13-4-2-3-5-15(13)20)14-8-12(19)6-7-16(14)21-17(23)9-22(11)18/h2-8,11H,9-10H2,1H3,(H,21,23)"	"ANUCDXCTICZJRH-UHFFFAOYSA-N"	"4500.0"	"3"	"5"	"FALSE"	"TRUE"
"3287"	"52723-84-9"	"DTXSID00200700"	"Acetamide, 2-(4-chloro-2-methylphenoxy)-N-phenyl-"	"EPA_DSSTox"	"CC1=C(OCC(=O)NC2=CC=CC=C2)C=CC(Cl)=C1"	"CC1C=C(Cl)C=CC=1OCC(=O)NC1C=CC=CC=1"	"?"	"InChI=1S/C15H14ClNO2/c1-11-9-12(16)7-8-14(11)19-10-15(18)17-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,17,18)"	"FDDJKDJSDPCMJE-UHFFFAOYSA-N"	"4500.0"	"3"	"5"	"FALSE"	"TRUE"
"3288"	"60-00-4"	"DTXSID6022977"	"Ethylenediaminetetraacetic acid"	"EPA_DSSTox"	"OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O"	"OC(=O)CN(CC(O)=O)CCN(CC(O)=O)CC(O)=O"	"?"	"InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)"	"KCXVZYZYPLLWCC-UHFFFAOYSA-N"	"4500.0"	"3"	"5"	"FALSE"	"TRUE"
"3289"	"93-46-9"	"DTXSID3020918"	"N,N'-Di-2-naphthyl-p-phenylenediamine"	"EPA_DSSTox"	"N(C1=CC=C(NC2=CC=C3C=CC=CC3=C2)C=C1)C1=CC=C2C=CC=CC2=C1"	"C1=C2C=CC=CC2=CC=C1NC1C=CC(=CC=1)NC1=CC2=CC=CC=C2C=C1"	"?"	"InChI=1S/C26H20N2/c1-3-7-21-17-25(11-9-19(21)5-1)27-23-13-15-24(16-14-23)28-26-12-10-20-6-2-4-8-22(20)18-26/h1-18,27-28H"	"VETPHHXZEJAYOB-UHFFFAOYSA-N"	"4500.0"	"3"	"5"	"FALSE"	"TRUE"
"3290"	"13361-31-4"	"DTXSID6065424"	"Acetic acid, cyano-, 2-methylpropyl ester"	"EPA_DSSTox"	"CC(C)COC(=O)CC#N"	"CC(C)COC(=O)CC#N"	"?"	"InChI=1S/C7H11NO2/c1-6(2)5-10-7(9)3-4-8/h6H,3,5H2,1-2H3"	"HRGQEKKNLHJZGZ-UHFFFAOYSA-N"	"4520.0"	"3"	"5"	"FALSE"	"TRUE"
"3291"	"87818-31-3"	"DTXSID3034456"	"Cinmethylin"	"EPA_DSSTox"		"CC12CCC(CC1OCC1=CC=CC=C1C)(O2)C(C)C"	"?"	"InChI=1S/C18H26O2/c1-13(2)18-10-9-17(4,20-18)16(11-18)19-12-15-8-6-5-7-14(15)3/h5-8,13,16H,9-12H2,1-4H3"	"QMTNOLKHSWIQBE-UHFFFAOYSA-N"	"4553.0"	"3"	"5"	"FALSE"	"TRUE"
"3292"	"10024-89-2"			"Public_CrossChecked"	"Cl.C1COCCN1"	"C1COCCN1"	"Cl"	"InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2"	"YNAVUWVOSKDBBP-UHFFFAOYSA-N"	"4580.0"	"3"	"5"	"FALSE"	"TRUE"
"3293"	"1160-36-7"	"DTXSID60151264"	"Benzoic acid, 4-(4-acetyl-3-iodophenoxy)-3,5-diiodo-"	"EPA_DSSTox"	"CC(=O)C1=C(I)C=C(OC2=C(I)C=C(C=C2I)C(O)=O)C=C1"	"CC(=O)C1C=CC(=CC=1I)OC1C(I)=CC(=CC=1I)C(O)=O"	"?"	"InChI=1S/C15H9I3O4/c1-7(19)10-3-2-9(6-11(10)16)22-14-12(17)4-8(15(20)21)5-13(14)18/h2-6H,1H3,(H,20,21)"	"ODLJOXGVKAAUFP-UHFFFAOYSA-N"	"4600.0"	"3"	"5"	"FALSE"	"TRUE"
"3294"	"23182-46-9"	"DTXSID7046677"	"Pipethanate ethylbromide"	"EPA_DSSTox"	"[Br-].CC[N+]1(CCOC(=O)C(O)(C2=CC=CC=C2)C2=CC=CC=C2)CCCCC1"	"CC[N+]1(CCOC(=O)C(O)(C2C=CC=CC=2)C2C=CC=CC=2)CCCCC1"	"[Br-]"	"InChI=1S/C23H30NO3/c1-2-24(16-10-5-11-17-24)18-19-27-22(25)23(26,20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-4,6-9,12-15,26H,2,5,10-11,16-19H2,1H3/q+1"	"OHEDKBMQRCAABJ-UHFFFAOYSA-N"	"4600.0"	"3"	"5"	"FALSE"	"TRUE"
"3295"	"556-22-9"	"DTXSID1040297"	"Glyodin"	"EPA_DSSTox"	"CC(O)=O.CCCCCCCCCCCCCCCCCC1=NCCN1"	"CCCCCCCCCCCCCCCCCC1NCCN=1"	"C(O)(=O)C"	"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"	"4600.0"	"3"	"5"	"FALSE"	"TRUE"
"3296"	"88-41-5"	"DTXSID3036105"	"2-tert-Butylcyclohexyl acetate"	"EPA_DSSTox"	"CC(=O)OC1CCCCC1C(C)(C)C"	"CC(=O)OC1CCCCC1C(C)(C)C"	"?"	"InChI=1S/C12H22O2/c1-9(13)14-11-8-6-5-7-10(11)12(2,3)4/h10-11H,5-8H2,1-4H3"	"FINOAUDUYKVGDS-UHFFFAOYSA-N"	"4600.0"	"3"	"5"	"FALSE"	"TRUE"
"3297"	"79319-85-0"	"DTXSID20229615"	"Chuan HUA 018"	"EPA_DSSTox"	"S=C1NN=C(NCNC2=NNC(=S)S2)S1"	"S=C1N=NC(NCNC2N=NC(=S)S2)S1"	"?"	"InChI=1S/C5H6N6S4/c12-4-10-8-2(14-4)6-1-7-3-9-11-5(13)15-3/h2-3,6-7H,1H2"	"WXEIYAXZDPGKRZ-UHFFFAOYSA-N"	"4640.0"	"3"	"5"	"FALSE"	"TRUE"
"3298"	"98-59-9"	"DTXSID1052660"	"p-Toluenesulfonyl chloride"	"EPA_DSSTox"	"CC1=CC=C(C=C1)S(Cl)(=O)=O"	"CC1=CC=C(C=C1)S(=O)(=O)Cl"	"?"	"InChI=1S/C7H7ClO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3"	"YYROPELSRYBVMQ-UHFFFAOYSA-N"	"4680.0"	"3"	"5"	"FALSE"	"TRUE"
"3299"	"122-72-5"	"DTXSID2047648"	"3-Phenylpropyl acetate"	"EPA_DSSTox"	"CC(=O)OCCCC1=CC=CC=C1"	"CC(=O)OCCCC1C=CC=CC=1"	"?"	"InChI=1S/C11H14O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3"	"JRJGKUTZNBZHNK-UHFFFAOYSA-N"	"4700.0"	"3"	"5"	"FALSE"	"TRUE"
"3300"	"24243-89-8"	"DTXSID80178938"	"Triflumidate"	"EPA_DSSTox"	"CCOC(=O)N(C1=CC=CC(=C1)C(=O)C1=CC=CC=C1)S(=O)(=O)C(F)(F)F"	"CCOC(=O)N(C1=CC(=CC=C1)C(=O)C1C=CC=CC=1)S(=O)(=O)C(F)(F)F"	"?"	"InChI=1S/C17H14F3NO5S/c1-2-26-16(23)21(27(24,25)17(18,19)20)14-10-6-9-13(11-14)15(22)12-7-4-3-5-8-12/h3-11H,2H2,1H3"	"ULANGSAJTINEBA-UHFFFAOYSA-N"	"4700.0"	"3"	"5"	"FALSE"	"TRUE"
"3301"	"555-16-8"	"DTXSID5022061"	"4-Nitrobenzaldehyde"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC=C(C=O)C=C1"	"[O-][N+](=O)C1C=CC(=CC=1)C=O"	"?"	"InChI=1S/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H"	"BXRFQSNOROATLV-UHFFFAOYSA-N"	"4700.0"	"3"	"5"	"FALSE"	"TRUE"
"3302"	"112-30-1"	"DTXSID7021946"	"1-Decanol"	"EPA_DSSTox"	"CCCCCCCCCCO"	"CCCCCCCCCCO"	"?"	"InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3"	"MWKFXSUHUHTGQN-UHFFFAOYSA-N"	"4720.0"	"3"	"5"	"FALSE"	"TRUE"
"3303"	"122-20-3"	"DTXSID5021415"	"Triisopropanolamine"	"EPA_DSSTox"	"CC(O)CN(CC(C)O)CC(C)O"	"CC(O)CN(CC(C)O)CC(C)O"	"?"	"InChI=1S/C9H21NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h7-9,11-13H,4-6H2,1-3H3"	"SLINHMUFWFWBMU-UHFFFAOYSA-N"	"4730.0"	"3"	"5"	"FALSE"	"TRUE"
"3304"	"105-38-4"	"DTXSID9051537"	"Vinyl propionate"	"EPA_DSSTox"	"CCC(=O)OC=C"	"CCC(=O)OC=C"	"?"	"InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3"	"UIWXSTHGICQLQT-UHFFFAOYSA-N"	"4760.0"	"3"	"5"	"FALSE"	"TRUE"
"3305"	"1331-11-9"			"Public_CrossChecked"	"CCOCCC(O)=O"	"CCOCCC(O)=O"	"?"	"InChI=1S/C5H10O3/c1-2-8-4-3-5(6)7/h2-4H2,1H3,(H,6,7)"	"JRXXEXVXTFEBIY-UHFFFAOYSA-N"	"4800.0"	"3"	"5"	"FALSE"	"TRUE"
"3306"	"24683-26-9"	"DTXSID30179415"	"4-Hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylic acid ethylester 1,1-dioxide"	"EPA_DSSTox"	"CCOC(=O)C1=C(O)C2=CC=CC=C2S(=O)(=O)N1C"	"CCOC(=O)C1=C(O)C2C=CC=CC=2S(=O)(=O)N1C"	"?"	"InChI=1S/C12H13NO5S/c1-3-18-12(15)10-11(14)8-6-4-5-7-9(8)19(16,17)13(10)2/h4-7,14H,3H2,1-2H3"	"QWTNANUGXZEPFQ-UHFFFAOYSA-N"	"4800.0"	"3"	"5"	"FALSE"	"TRUE"
"3307"	"79-57-2"	"DTXSID1034260"	"Oxytetracycline"	"EPA_DSSTox"	"CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)C1=C(C=CC=C1O)[C@@]3(C)O"	"CC1(O)C2C(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/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)"	"IWVCMVBTMGNXQD-UHFFFAOYSA-N"	"4800.0"	"3"	"5"	"FALSE"	"TRUE"
"3308"	"148-87-8"	"DTXSID4044587"	"3-[Ethyl(phenyl)amino]propanenitrile"	"EPA_DSSTox"	"CCN(CCC#N)C1=CC=CC=C1"	"CCN(CCC#N)C1C=CC=CC=1"	"?"	"InChI=1S/C11H14N2/c1-2-13(10-6-9-12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,10H2,1H3"	"WYRNRZQRKCXPLA-UHFFFAOYSA-N"	"4840.0"	"3"	"5"	"FALSE"	"TRUE"
"3309"	"622-96-8"	"DTXSID9029194"	"4-Ethyltoluene"	"EPA_DSSTox"	"CCC1=CC=C(C)C=C1"	"CC1C=CC(CC)=CC=1"	"?"	"InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3"	"JRLPEMVDPFPYPJ-UHFFFAOYSA-N"	"4850.0"	"3"	"5"	"FALSE"	"TRUE"
"3310"	"5888-33-5"	"DTXSID5052250"	"Isobornyl acrylate"	"EPA_DSSTox"	"CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)OC(=O)C=C"	"CC1(C)C2CC(OC(=O)C=C)C1(C)CC2"	"?"	"InChI=1S/C13H20O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h5,9-10H,1,6-8H2,2-4H3"	"PSGCQDPCAWOCSH-UHFFFAOYSA-N"	"4890.0"	"3"	"5"	"FALSE"	"TRUE"
"3311"	"142-64-3"	"DTXSID4047096"	"Piperazine dihydrochloride"	"EPA_DSSTox"	"Cl.Cl.C1CNCCN1"	"C1CNCCN1"	"Cl.Cl"	"InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2"	"GLUUGHFHXGJENI-UHFFFAOYSA-N"	"4900.0"	"3"	"5"	"FALSE"	"TRUE"
"3312"	"98-83-9"	"DTXSID9025661"	"alpha-Methylstyrene"	"EPA_DSSTox"	"CC(=C)C1=CC=CC=C1"	"CC(=C)C1C=CC=CC=1"	"?"	"InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3"	"XYLMUPLGERFSHI-UHFFFAOYSA-N"	"4900.0"	"3"	"5"	"FALSE"	"TRUE"
"3313"	"101-07-5"			"Public_CrossChecked"	"CCCCC(CC)CN(CCO)CC(CC)CCCC"	"CCCCC(CN(CCO)CC(CCCC)CC)CC"	"?"	"InChI=1S/C18H39NO/c1-5-9-11-17(7-3)15-19(13-14-20)16-18(8-4)12-10-6-2/h17-18,20H,5-16H2,1-4H3"	"FMFWSIARXFCACS-UHFFFAOYSA-N"	"4920.0"	"3"	"5"	"FALSE"	"TRUE"
"3314"	"1322-78-7"			"Public_CrossChecked"	"Cc1cccc(C(=O)c2ccccc2)c1C"	"CC1C=CC=C(C(=O)C2C=CC=CC=2)C=1C"	"?"	"InChI=1S/C15H14O/c1-11-7-6-10-14(12(11)2)15(16)13-8-4-3-5-9-13/h3-10H,1-2H3"	"ZSQCNVWYBBKUHS-UHFFFAOYSA-N"	"4920.0"	"3"	"5"	"FALSE"	"TRUE"
"3315"	"4126-70-9"			"Public_CrossChecked"	"[Cl-].[Cl-].[NH3+]CCOC(=O)C=CC(=O)OCC[NH3+]"	"NCCOC(=O)C=CC(=O)OCCN"	"[Cl-].[Cl-]"	"InChI=1S/C8H14N2O4/c9-3-5-13-7(11)1-2-8(12)14-6-4-10/h1-2H,3-6,9-10H2"	"LSAKCJLZJXGUKM-UHFFFAOYSA-N"	"4920.0"	"3"	"5"	"FALSE"	"TRUE"
"3316"	"63938-89-6"			"Public_CrossChecked"	"CC(CN(CCN(CC(C)OB(O)O)CC(C)OB(O)O)CC(C)OB(O)O)OB(O)O"	"CC(CN(CC(C)OB(O)O)CCN(CC(C)OB(O)O)CC(C)OB(O)O)OB(O)O"	"?"	"InChI=1S/C14H36B4N2O12/c1-11(29-15(21)22)7-19(8-12(2)30-16(23)24)5-6-20(9-13(3)31-17(25)26)10-14(4)32-18(27)28/h11-14,21-28H,5-10H2,1-4H3"	"JVWMUNOKAVFCLP-UHFFFAOYSA-N"	"4930.0"	"3"	"5"	"FALSE"	"TRUE"
"3317"	"620-92-8"	"DTXSID9022445"	"Bis(4-hydroxyphenyl)methane"	"EPA_DSSTox"	"OC1=CC=C(CC2=CC=C(O)C=C2)C=C1"	"OC1C=CC(CC2C=CC(O)=CC=2)=CC=1"	"?"	"InChI=1S/C13H12O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,14-15H,9H2"	"PXKLMJQFEQBVLD-UHFFFAOYSA-N"	"4950.0"	"3"	"5"	"FALSE"	"TRUE"
"3318"	"109-42-2"	"DTXSID4047624"	"Butyl undec-10-enoate"	"EPA_DSSTox"	"CCCCOC(=O)CCCCCCCCC=C"	"CCCCOC(=O)CCCCCCCCC=C"	"?"	"InChI=1S/C15H28O2/c1-3-5-7-8-9-10-11-12-13-15(16)17-14-6-4-2/h3H,1,4-14H2,2H3"	"GRAORJFMGCQWRN-UHFFFAOYSA-N"	"5001.0"	"4"	"5"	"FALSE"	"TRUE"
"3319"	"1166-52-5"	"DTXSID0048189"	"Dodecyl gallate"	"EPA_DSSTox"	"CCCCCCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1"	"CCCCCCCCCCCCOC(=O)C1C=C(O)C(O)=C(O)C=1"	"?"	"InChI=1S/C19H30O5/c1-2-3-4-5-6-7-8-9-10-11-12-24-19(23)15-13-16(20)18(22)17(21)14-15/h13-14,20-22H,2-12H2,1H3"	"RPWFJAMTCNSJKK-UHFFFAOYSA-N"	"5001.0"	"4"	"5"	"FALSE"	"TRUE"
"3320"	"13021-50-6"			"Public_CrossChecked"	"CCOCC(O)COC(C)C"	"CC(C)OCC(O)COCC"	"?"	"InChI=1S/C8H18O3/c1-4-10-5-8(9)6-11-7(2)3/h7-9H,4-6H2,1-3H3"	"ZATQNAGGARBGCM-UHFFFAOYSA-N"	"5001.0"	"4"	"5"	"FALSE"	"TRUE"
"3321"	"140-27-2"	"DTXSID7059694"	"Butanoic acid, 3-methyl-, 3-phenyl-2-propenyl ester"	"EPA_DSSTox"	"CC(C)CC(=O)OCC=CC1=CC=CC=C1"	"CC(C)CC(=O)OCC=CC1C=CC=CC=1"	"?"	"InChI=1S/C14H18O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-9,12H,10-11H2,1-2H3"	"FOCMOGKCPPTERB-UHFFFAOYSA-N"	"5001.0"	"4"	"5"	"FALSE"	"TRUE"
"3322"	"15686-71-2"	"DTXSID9022780"	"Cephalexin"	"EPA_DSSTox"	"CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C1=CC=CC=C1)C2=O)C(O)=O"	"CC1CSC2C(NC(=O)C(N)C3C=CC=CC=3)C(=O)N2C=1C(O)=O"	"?"	"InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)"	"ZAIPMKNFIOOWCQ-UHFFFAOYSA-N"	"5001.0"	"4"	"5"	"FALSE"	"TRUE"
"3323"	"16195-77-0"			"Public_CrossChecked"	"CCCCC=CC=CC=CCCCCCCCC(=O)OC"	"CCCCC=CC=CC=CCCCCCCCC(=O)OC"	"?"	"InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h6-11H,3-5,12-18H2,1-2H3"	"KOJYENXGDXRGDK-UHFFFAOYSA-N"	"5001.0"	"4"	"5"	"FALSE"	"TRUE"
"3324"	"18181-80-1"	"DTXSID1034397"	"Bromopropylate"	"EPA_DSSTox"	"CC(C)OC(=O)C(O)(C1=CC=C(Br)C=C1)C1=CC=C(Br)C=C1"	"CC(C)OC(=O)C(O)(C1C=CC(Br)=CC=1)C1C=CC(Br)=CC=1"	"?"	"InChI=1S/C17H16Br2O3/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"	"FOANIXZHAMJWOI-UHFFFAOYSA-N"	"5001.0"	"4"	"5"	"FALSE"	"TRUE"
"3325"	"202483-62-3"	"DTXSID50595916"	"2-[(2-Hexyldecyl)oxy]benzamide"	"EPA_DSSTox"	"CCCCCCCCC(CCCCCC)COC1=CC=CC=C1C(N)=O"	"CCCCCCC(COC1=CC=CC=C1C(N)=O)CCCCCCCC"	"?"	"InChI=1S/C23H39NO2/c1-3-5-7-9-10-12-16-20(15-11-8-6-4-2)19-26-22-18-14-13-17-21(22)23(24)25/h13-14,17-18,20H,3-12,15-16,19H2,1-2H3,(H2,24,25)"	"CMQJSECIJIYKFU-UHFFFAOYSA-N"	"5001.0"	"4"	"5"	"FALSE"	"TRUE"
"3326"	"23793-35-3"			"Public_CrossChecked"	"Cl.Cc1ncc(CS(C)=O)c(CO)c1O"	"CC1=NC=C(CS(C)=O)C(CO)=C1O"	"Cl"	"InChI=1S/C9H13NO3S/c1-6-9(12)8(4-11)7(3-10-6)5-14(2)13/h3,11-12H,4-5H2,1-2H3"	"QAUCAMWJGUVXOE-UHFFFAOYSA-N"	"5001.0"	"4"	"5"	"FALSE"	"TRUE"
"3327"	"31098-20-1"			"Public_CrossChecked"	"[K+].[O-]S(=O)(=O)CCCOC(=O)C=C"	"C=CC(=O)OCCCS(O)(=O)=O"	"[K+]"	"InChI=1S/C6H10O5S/c1-2-6(7)11-4-3-5-12(8,9)10/h2H,1,3-5H2,(H,8,9,10)"	"NYUTUWAFOUJLKI-UHFFFAOYSA-N"	"5001.0"	"4"	"5"	"FALSE"	"TRUE"
"3328"	"34443-12-4"	"DTXSID2044921"	"tert-Butylperoxy 2-ethylhexyl carbonate"	"EPA_DSSTox"	"CCCCC(CC)COC(=O)OOC(C)(C)C"	"CCC(COC(=O)OOC(C)(C)C)CCCC"	"?"	"InChI=1S/C13H26O4/c1-6-8-9-11(7-2)10-15-12(14)16-17-13(3,4)5/h11H,6-10H2,1-5H3"	"BRQMAAFGEXNUOL-UHFFFAOYSA-N"	"5001.0"	"4"	"5"	"FALSE"	"TRUE"
"3329"	"36653-82-4"	"DTXSID4027991"	"1-Hexadecanol"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCO"	"CCCCCCCCCCCCCCCCO"	"?"	"InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3"	"BXWNKGSJHAJOGX-UHFFFAOYSA-N"	"5001.0"	"4"	"5"	"FALSE"	"TRUE"
"3330"	"3913-71-1"	"DTXSID8052065"	"2-Decenal"	"EPA_DSSTox"	"CCCCCCCC=CC=O"	"CCCCCCCC=CC=O"	"?"	"InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3"	"MMFCJPPRCYDLLZ-UHFFFAOYSA-N"	"5001.0"	"4"	"5"	"FALSE"	"TRUE"
"3331"	"424-40-8"	"DTXSID3059977"	"Pentanedioic acid, hexafluoro-, diethyl ester"	"EPA_DSSTox"	"CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OCC"	"CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OCC"	"?"	"InChI=1S/C9H10F6O4/c1-3-18-5(16)7(10,11)9(14,15)8(12,13)6(17)19-4-2/h3-4H2,1-2H3"	"MSDPXVBLFJODJO-UHFFFAOYSA-N"	"5001.0"	"4"	"5"	"FALSE"	"TRUE"
"3332"	"48145-04-6"	"DTXSID4040715"	"2-Phenoxyethyl acrylate"	"EPA_DSSTox"	"C=CC(=O)OCCOC1=CC=CC=C1"	"C=CC(=O)OCCOC1C=CC=CC=1"	"?"	"InChI=1S/C11H12O3/c1-2-11(12)14-9-8-13-10-6-4-3-5-7-10/h2-7H,1,8-9H2"	"RZVINYQDSSQUKO-UHFFFAOYSA-N"	"5001.0"	"4"	"5"	"FALSE"	"TRUE"
"3333"	"5413-60-5"	"DTXSID4029270"	"3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-6-yl acetate"	"EPA_DSSTox"	"CC(=O)OC1CC2CC1C1CC=CC21"	"CC(=O)OC1CC2CC1C1CC=CC21"	"?"	"InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2-3,8-12H,4-6H2,1H3"	"RGVQNSFGUOIKFF-UHFFFAOYSA-N"	"5001.0"	"4"	"5"	"FALSE"	"TRUE"
"3334"	"57018-04-9"	"DTXSID0034776"	"Tolclofos-methyl"	"EPA_DSSTox"	"COP(=S)(OC)OC1=C(Cl)C=C(C)C=C1Cl"	"CC1C=C(Cl)C(OP(=S)(OC)OC)=C(Cl)C=1"	"?"	"InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3"	"OBZIQQJJIKNWNO-UHFFFAOYSA-N"	"5001.0"	"4"	"5"	"FALSE"	"TRUE"
"3335"	"590-01-2"	"DTXSID5027223"	"Butyl propionate"	"EPA_DSSTox"	"CCCCOC(=O)CC"	"CCCCOC(=O)CC"	"?"	"InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3"	"BTMVHUNTONAYDX-UHFFFAOYSA-N"	"5001.0"	"4"	"5"	"FALSE"	"TRUE"
"3336"	"6284-40-8"	"DTXSID0023244"	"Meglumine"	"EPA_DSSTox"	"CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO"	"CNCC(O)C(O)C(O)C(O)CO"	"?"	"InChI=1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3"	"MBBZMMPHUWSWHV-UHFFFAOYSA-N"	"5001.0"	"4"	"5"	"FALSE"	"TRUE"
"3337"	"64294-94-6"			"Public_CrossChecked"	"NNC(=O)OC1C[C@@H]2CC[C@H](C1)N2C(=O)Oc1ccccc1"	"NNC(=O)OC1CC2CCC(C1)N2C(=O)OC1C=CC=CC=1"	"?"	"InChI=1S/C15H19N3O4/c16-17-14(19)21-13-8-10-6-7-11(9-13)18(10)15(20)22-12-4-2-1-3-5-12/h1-5,10-11,13H,6-9,16H2,(H,17,19)"	"SGSSRQHQTWWMIF-UHFFFAOYSA-N"	"5001.0"	"4"	"5"	"FALSE"	"TRUE"
"3338"	"7081-44-9"	"DTXSID60110018"	"Sodium cloxacillin monohydrate"	"EPA_DSSTox"	"O.[Na+].CC1=C(C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C([O-])=O)C(=NO1)C1=CC=CC=C1Cl"	"CC1ON=C(C=1C(=O)NC1C2SC(C)(C)C(C(O)=O)N2C1=O)C1=CC=CC=C1Cl"	"[Na+].O"	"InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)"	"LQOLIRLGBULYKD-UHFFFAOYSA-N"	"5001.0"	"4"	"5"	"FALSE"	"TRUE"
"3339"	"75-29-6"	"DTXSID6047739"	"2-Chloropropane"	"EPA_DSSTox"	"CC(C)Cl"	"CC(C)Cl"	"?"	"InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3"	"ULYZAYCEDJDHCC-UHFFFAOYSA-N"	"5001.0"	"4"	"5"	"FALSE"	"TRUE"
"3340"	"79-16-3"	"DTXSID0047167"	"N-Methylacetamide"	"EPA_DSSTox"	"CNC(C)=O"	"CNC(C)=O"	"?"	"InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)"	"OHLUUHNLEMFGTQ-UHFFFAOYSA-N"	"5001.0"	"4"	"5"	"FALSE"	"TRUE"
"3341"	"89-73-6"	"DTXSID5075365"	"Salicylhydroxamic acid"	"EPA_DSSTox"	"ONC(=O)C1=C(O)C=CC=C1"	"OC1C=CC=CC=1C(=O)NO"	"?"	"InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10)"	"HBROZNQEVUILML-UHFFFAOYSA-N"	"5001.0"	"4"	"5"	"FALSE"	"TRUE"
"3342"	"92-84-2"	"DTXSID5021126"	"Phenothiazine"	"EPA_DSSTox"	"N1C2=CC=CC=C2SC2=C1C=CC=C2"	"C1=CC=CC2NC3C=CC=CC=3SC=21"	"?"	"InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H"	"WJFKNYWRSNBZNX-UHFFFAOYSA-N"	"5001.0"	"4"	"5"	"FALSE"	"TRUE"
"3343"	"947-92-2"	"DTXSID4073128"	"N-Nitrosodicyclohexylamine"	"EPA_DSSTox"	"O=NN(C1CCCCC1)C1CCCCC1"	"O=NN(C1CCCCC1)C1CCCCC1"	"?"	"InChI=1S/C12H22N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2"	"CYMNKXLBEMEABS-UHFFFAOYSA-N"	"5001.0"	"4"	"5"	"FALSE"	"TRUE"
"3344"	"3485-14-1"	"DTXSID9022861"	"Cyclacillin"	"EPA_DSSTox"	"CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(O)=O"	"CC1(C)SC2C(NC(=O)C3(N)CCCCC3)C(=O)N2C1C(O)=O"	"?"	"InChI=1S/C15H23N3O4S/c1-14(2)9(12(20)21)18-10(19)8(11(18)23-14)17-13(22)15(16)6-4-3-5-7-15/h8-9,11H,3-7,16H2,1-2H3,(H,17,22)(H,20,21)"	"HGBLNBBNRORJKI-UHFFFAOYSA-N"	"5010.0"	"4"	"5"	"FALSE"	"TRUE"
"3345"	"15199-26-5"	"DTXSID0073401"	"1H-Isoindole-1,3(2H)-dione, 2-[(4-methylphenyl)thio]-"	"EPA_DSSTox"	"CC1=CC=C(SN2C(=O)C3=CC=CC=C3C2=O)C=C1"	"CC1C=CC(=CC=1)SN1C(=O)C2=CC=CC=C2C1=O"	"?"	"InChI=1S/C15H11NO2S/c1-10-6-8-11(9-7-10)19-16-14(17)12-4-2-3-5-13(12)15(16)18/h2-9H,1H3"	"JQDALPOOQVVODE-UHFFFAOYSA-N"	"5060.0"	"4"	"5"	"FALSE"	"TRUE"
"3346"	"5205-82-3"	"DTXSID3046615"	"Bevonium metilsulfate"	"EPA_DSSTox"	"COS([O-])(=O)=O.C[N+]1(C)CCCCC1COC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1"	"C[N+]1(C)CCCCC1COC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1"	"S([O-])(=O)(=O)OC"	"InChI=1S/C22H28NO3/c1-23(2)16-10-9-15-20(23)17-26-21(24)22(25,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,20,25H,9-10,15-17H2,1-2H3/q+1"	"UHUMRJKDOOEQIG-UHFFFAOYSA-N"	"5080.0"	"4"	"5"	"FALSE"	"TRUE"
"3347"	"38051-02-4"	"DTXSID7048611"	"1-[2-({[5-Diethylamino)-2-{[4-(dimethylsulfamoyl)phenyl]diazenyl}phenyl]sulfonyl}amino)ethyl]pyridinium chloride"	"EPA_DSSTox"	"[Cl-].CCN(CC)C1=CC=C(N=NC2=CC=C(C=C2)S(=O)(=O)N(C)C)C(=C1)S(=O)(=O)NCC[N+]1=CC=CC=C1"	"CN(C)S(=O)(=O)C1C=CC(=CC=1)N=NC1=CC=C(C=C1S(=O)(=O)NCC[N+]1C=CC=CC=1)N(CC)CC"	"[Cl-]"	"InChI=1S/C25H33N6O4S2/c1-5-31(6-2)22-12-15-24(28-27-21-10-13-23(14-11-21)37(34,35)29(3)4)25(20-22)36(32,33)26-16-19-30-17-8-7-9-18-30/h7-15,17-18,20,26H,5-6,16,19H2,1-4H3/q+1"	"DLIRUVZALPTEMG-UHFFFAOYSA-N"	"5125.0"	"4"	"5"	"FALSE"	"TRUE"
"3348"	"128639-02-1"	"DTXSID4032532"	"Carfentrazone-ethyl"	"EPA_DSSTox"	"CCOC(=O)C(Cl)CC1=C(Cl)C=C(F)C(=C1)N1N=C(C)N(C(F)F)C1=O"	"CC1=NN(C2=CC(CC(Cl)C(=O)OCC)=C(Cl)C=C2F)C(=O)N1C(F)F"	"?"	"InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3"	"MLKCGVHIFJBRCD-UHFFFAOYSA-N"	"5143.0"	"4"	"5"	"FALSE"	"TRUE"
"3349"	"10043-18-2"			"Public_CrossChecked"	"CCCCOCCOCCCO"	"CCCCOCCOCCCO"	"?"	"InChI=1S/C9H20O3/c1-2-3-6-11-8-9-12-7-4-5-10/h10H,2-9H2,1H3"	"ANYPGYQTLSGXJN-UHFFFAOYSA-N"	"5160.0"	"4"	"5"	"FALSE"	"TRUE"
"3350"	"15625-89-5"	"DTXSID0027773"	"Trimethylolpropane triacrylate"	"EPA_DSSTox"	"CCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C"	"CCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C"	"?"	"InChI=1S/C15H20O6/c1-5-12(16)19-9-15(8-4,10-20-13(17)6-2)11-21-14(18)7-3/h5-7H,1-3,8-11H2,4H3"	"DAKWPKUUDNSNPN-UHFFFAOYSA-N"	"5190.0"	"4"	"5"	"FALSE"	"TRUE"
"3351"	"1073-67-2"	"DTXSID4061464"	"Benzene, 1-chloro-4-ethenyl-"	"EPA_DSSTox"	"ClC1=CC=C(C=C)C=C1"	"C=CC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C8H7Cl/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2"	"KTZVZZJJVJQZHV-UHFFFAOYSA-N"	"5200.0"	"4"	"5"	"FALSE"	"TRUE"
"3352"	"1331-28-8"	"DTXSID00859510"	"Benzene, chloroethenyl-"	"EPA_DSSTox"	"ClC=CC1=CC=CC=C1"	"ClC=CC1C=CC=CC=1"	"?"	"InChI=1S/C8H7Cl/c9-7-6-8-4-2-1-3-5-8/h1-7H"	"SBYMUDUGTIKLCR-UHFFFAOYSA-N"	"5200.0"	"4"	"5"	"FALSE"	"TRUE"
"3353"	"67801-38-1"	"DTXSID1052371"	"4-(2,4,6-Trimethyl-3-cyclohexen-1-yl)-3-buten-2-one"	"EPA_DSSTox"	"CC1CC(C)=CC(C)C1C=CC(C)=O"	"CC1CC(C)C(C=CC(C)=O)C(C)C=1"	"?"	"InChI=1S/C13H20O/c1-9-7-10(2)13(11(3)8-9)6-5-12(4)14/h5-7,10-11,13H,8H2,1-4H3"	"FETSKTIMHFKZNF-UHFFFAOYSA-N"	"5200.0"	"4"	"5"	"FALSE"	"TRUE"
"3354"	"95-29-4"	"DTXSID2026571"	"2-Benzothiazolesulfenamide, N,N-bis(1-methylethyl)-"	"EPA_DSSTox"	"CC(C)N(SC1=NC2=C(S1)C=CC=C2)C(C)C"	"CC(C)N(SC1=NC2C=CC=CC=2S1)C(C)C"	"?"	"InChI=1S/C13H18N2S2/c1-9(2)15(10(3)4)17-13-14-11-7-5-6-8-12(11)16-13/h5-10H,1-4H3"	"ILSQBBRAYMWZLQ-UHFFFAOYSA-N"	"5200.0"	"4"	"5"	"FALSE"	"TRUE"
"3355"	"3737-22-2"	"DTXSID40190813"	"3,5-Pyridinedicarboxylic acid, diisopropyl ester"	"EPA_DSSTox"	"CC(C)OC(=O)C1=CC(=CN=C1)C(=O)OC(C)C"	"CC(C)OC(=O)C1C=NC=C(C=1)C(=O)OC(C)C"	"?"	"InChI=1S/C13H17NO4/c1-8(2)17-12(15)10-5-11(7-14-6-10)13(16)18-9(3)4/h5-9H,1-4H3"	"JHKOMVRNWGLUFA-UHFFFAOYSA-N"	"5230.0"	"4"	"5"	"FALSE"	"TRUE"
"3356"	"93460-30-1"	"DTXSID40239433"	"1H-Pyrazole-1-carboxamide, N-(6-chlorohexyl)-3-methyl-"	"EPA_DSSTox"	"CC1=NN(C=C1)C(=O)NCCCCCCCl"	"CC1C=CN(N=1)C(=O)NCCCCCCCl"	"?"	"InChI=1S/C11H18ClN3O/c1-10-6-9-15(14-10)11(16)13-8-5-3-2-4-7-12/h6,9H,2-5,7-8H2,1H3,(H,13,16)"	"VLIMOHJRXUWFJR-UHFFFAOYSA-N"	"5250.0"	"4"	"5"	"FALSE"	"TRUE"
"3357"	"23281-95-0"	"DTXSID50177852"	"Methacrylic acid, 2-(butylthio)ethyl ester"	"EPA_DSSTox"	"CCCCSCCOC(=O)C(C)=C"	"CC(=C)C(=O)OCCSCCCC"	"?"	"InChI=1S/C10H18O2S/c1-4-5-7-13-8-6-12-10(11)9(2)3/h2,4-8H2,1,3H3"	"COKZCMFCVMEDJM-UHFFFAOYSA-N"	"5300.0"	"4"	"5"	"FALSE"	"TRUE"
"3358"	"101023-74-9"			"Public_CrossChecked"	"CCCCCCCCCCCCCCCCCCCCCN=CC(CC)=CCCC"	"CCCC=C(CC)C=NCCCCCCCCCCCCCCCCCCCCC"	"?"	"InChI=1S/C29H57N/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-30-28-29(6-3)26-8-5-2/h26,28H,4-25,27H2,1-3H3"	"YLMMFDJRFDAPIX-UHFFFAOYSA-N"	"5320.0"	"4"	"5"	"FALSE"	"TRUE"
"3359"	"15386-08-0"	"DTXSID70165458"	"Carbamic acid, (hydroxymethyl)methyl-, 1-naphthalenyl ester (9CI)"	"EPA_DSSTox"	"CN(CO)C(=O)OC1=CC=CC2=CC=CC=C12"	"CN(CO)C(=O)OC1=CC=CC2C=CC=CC=21"	"?"	"InChI=1S/C13H13NO3/c1-14(9-15)13(16)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-8,15H,9H2,1H3"	"ZQTYLOKPCPIWAU-UHFFFAOYSA-N"	"5360.0"	"4"	"5"	"FALSE"	"TRUE"
"3360"	"2162-57-4"	"DTXSID80176010"	"Benzoic acid, 5-amino-2-benzoyl-"	"EPA_DSSTox"	"NC1=CC(C(O)=O)=C(C=C1)C(=O)C1=CC=CC=C1"	"NC1=CC(C(O)=O)=C(C=C1)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C14H11NO3/c15-10-6-7-11(12(8-10)14(17)18)13(16)9-4-2-1-3-5-9/h1-8H,15H2,(H,17,18)"	"ZDLMIZMSCMTDOD-UHFFFAOYSA-N"	"5400.0"	"4"	"5"	"FALSE"	"TRUE"
"3361"	"118-92-3"	"DTXSID8020094"	"Anthranilic acid"	"EPA_DSSTox"	"NC1=C(C=CC=C1)C(O)=O"	"NC1C=CC=CC=1C(O)=O"	"?"	"InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)"	"RWZYAGGXGHYGMB-UHFFFAOYSA-N"	"5410.0"	"4"	"5"	"FALSE"	"TRUE"
"3362"	"583-03-9"	"DTXSID4046818"	"Fenipentol"	"EPA_DSSTox"	"CCCCC(O)C1=CC=CC=C1"	"CCCCC(O)C1C=CC=CC=1"	"?"	"InChI=1S/C11H16O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,2-3,9H2,1H3"	"OVGORFFCBUIFIA-UHFFFAOYSA-N"	"5432.0"	"4"	"5"	"FALSE"	"TRUE"
"3363"	"2938-98-9"			"Public_CrossChecked"	"CC(CO)CCO"	"CC(CCO)CO"	"?"	"InChI=1S/C5H12O2/c1-5(4-7)2-3-6/h5-7H,2-4H2,1H3"	"MWCBGWLCXSUTHK-UHFFFAOYSA-N"	"5460.0"	"4"	"5"	"FALSE"	"TRUE"
"3364"	"1331-29-9"			"Public_CrossChecked"	"ClC(Cl)Cc1ccccc1"	"ClC(Cl)CC1C=CC=CC=1"	"?"	"InChI=1S/C8H8Cl2/c9-8(10)6-7-4-2-1-3-5-7/h1-5,8H,6H2"	"NGQTUWCDHLILAX-UHFFFAOYSA-N"	"5500.0"	"4"	"5"	"FALSE"	"TRUE"
"3365"	"3021-22-5"	"DTXSID80184312"	"Belophor"	"EPA_DSSTox"	"[Na+].[O-]S(=O)(=O)C1=CC=C(C=C1)N1CCC(=N1)C1=CC=C(Cl)C=C1"	"OS(=O)(=O)C1C=CC(=CC=1)N1CCC(=N1)C1C=CC(Cl)=CC=1"	"[Na+]"	"InChI=1S/C15H13ClN2O3S/c16-12-3-1-11(2-4-12)15-9-10-18(17-15)13-5-7-14(8-6-13)22(19,20)21/h1-8H,9-10H2,(H,19,20,21)"	"XWBCFSPHSFEACS-UHFFFAOYSA-N"	"5530.0"	"4"	"5"	"FALSE"	"TRUE"
"3366"	"5051-16-1"			"Public_CrossChecked"	"Cl.Cl.CC(C(=O)OCCN1CCN(CCOC(=O)C(C)c2cccc3ccccc23)CC1)c1cccc2ccccc12"	"CC(C1C=CC=C2C=CC=CC2=1)C(=O)OCCN1CCN(CC1)CCOC(=O)C(C)C1C=CC=C2C=CC=CC2=1"	"Cl.Cl"	"InChI=1S/C34H38N2O4/c1-25(29-15-7-11-27-9-3-5-13-31(27)29)33(37)39-23-21-35-17-19-36(20-18-35)22-24-40-34(38)26(2)30-16-8-12-28-10-4-6-14-32(28)30/h3-16,25-26H,17-24H2,1-2H3"	"ZLFQARCCMWUSQE-UHFFFAOYSA-N"	"5550.0"	"4"	"5"	"FALSE"	"TRUE"
"3367"	"27344-41-8"	"DTXSID6036467"	"Disodium 4,4'-bis(2-sulfostyryl)biphenyl"	"EPA_DSSTox"	"[Na+].[Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=CC1=CC=C(C=C1)C1=CC=C(C=CC2=CC=CC=C2S([O-])(=O)=O)C=C1"	"OS(=O)(=O)C1=CC=CC=C1C=CC1C=CC(=CC=1)C1C=CC(C=CC2=CC=CC=C2S(O)(=O)=O)=CC=1"	"[Na+].[Na+]"	"InChI=1S/C28H22O6S2/c29-35(30,31)27-7-3-1-5-25(27)19-13-21-9-15-23(16-10-21)24-17-11-22(12-18-24)14-20-26-6-2-4-8-28(26)36(32,33)34/h1-20H,(H,29,30,31)(H,32,33,34)"	"SQAKQVFOMMLRPR-UHFFFAOYSA-N"	"5580.0"	"4"	"5"	"FALSE"	"TRUE"
"3368"	"133-67-5"	"DTXSID7023699"	"Trichlormethiazide"	"EPA_DSSTox"	"NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C(Cl)Cl"	"NS(=O)(=O)C1C=C2C(=CC=1Cl)NC(NS2(=O)=O)C(Cl)Cl"	"?"	"InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)"	"LMJSLTNSBFUCMU-UHFFFAOYSA-N"	"5600.0"	"4"	"5"	"FALSE"	"TRUE"
"3369"	"70318-54-6"			"Public_CrossChecked"	"COc1cccc(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1"	"C[n]1c(C)c(N=CC2=CC(=CC=C2)OC)c(=O)[n]1C1C=CC=CC=1"	"?"	"InChI=1S/C19H19N3O2/c1-14-18(20-13-15-8-7-11-17(12-15)24-3)19(23)22(21(14)2)16-9-5-4-6-10-16/h4-13H,1-3H3"	"QLTKTTIKQFRHQF-UHFFFAOYSA-N"	"5600.0"	"4"	"5"	"FALSE"	"TRUE"
"3370"	"141-78-6"	"DTXSID1022001"	"Ethyl acetate"	"EPA_DSSTox"	"CCOC(C)=O"	"CCOC(C)=O"	"?"	"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3"	"XEKOWRVHYACXOJ-UHFFFAOYSA-N"	"5620.0"	"4"	"5"	"FALSE"	"TRUE"
"3371"	"96-08-2"	"DTXSID9042097"	"Limonene dioxide"	"EPA_DSSTox"	"CC1OC1C1CCC2(C)OC2C1"	"CC1OC1C1CCC2(C)OC2C1"	"?"	"InChI=1S/C10H16O2/c1-6-9(11-6)7-3-4-10(2)8(5-7)12-10/h6-9H,3-5H2,1-2H3"	"YIEDFHHVUWKOEV-UHFFFAOYSA-N"	"5630.0"	"4"	"5"	"FALSE"	"TRUE"
"3372"	"3569-57-1"	"DTXSID5041483"	"3-Chloropropyl octyl sulfoxide"	"EPA_DSSTox"	"CCCCCCCCS(=O)CCCCl"	"CCCCCCCCS(=O)CCCCl"	"?"	"InChI=1S/C11H23ClOS/c1-2-3-4-5-6-7-10-14(13)11-8-9-12/h2-11H2,1H3"	"WQZLBRKHBCTDOZ-UHFFFAOYSA-N"	"5660.0"	"4"	"5"	"FALSE"	"TRUE"
"3373"	"99-83-2"	"DTXSID4047593"	"alpha-Phellandrene"	"EPA_DSSTox"	"CC(C)C1CC=C(C)C=C1"	"CC(C)C1CC=C(C)C=C1"	"?"	"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3"	"OGLDWXZKYODSOB-UHFFFAOYSA-N"	"5700.0"	"4"	"5"	"FALSE"	"TRUE"
"3374"	"50-41-9"	"DTXSID8020337"	"Clomiphene citrate (1:1)"	"EPA_DSSTox"	"OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CCOC1=CC=C(C=C1)C(=C(Cl)C1=CC=CC=C1)C1=CC=CC=C1"	"CCN(CCOC1C=CC(=CC=1)C(=C(Cl)C1C=CC=CC=1)C1C=CC=CC=1)CC"	"C(CC(=O)O)(CC(=O)O)(C(=O)O)O"	"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"	"5750.0"	"4"	"5"	"FALSE"	"TRUE"
"3375"	"17869-27-1"	"DTXSID30170523"	"2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3-aminopropyl)-"	"EPA_DSSTox"	"NCCC[Si]12OCCN(CCO1)CCO2"	"NCCC[Si]12OCCN(CCO1)CCO2"	"?"	"InChI=1S/C9H20N2O3Si/c10-2-1-9-15-12-6-3-11(4-7-13-15)5-8-14-15/h1-10H2"	"BVWMLPXXYGTRHW-UHFFFAOYSA-N"	"5800.0"	"4"	"5"	"FALSE"	"TRUE"
"3376"	"52463-83-9"	"DTXSID3023475"	"Pinazepam"	"EPA_DSSTox"	"ClC1=CC=C2N(CC#C)C(=O)CN=C(C3=CC=CC=C3)C2=C1"	"C#CCN1C(=O)CN=C(C2=CC(Cl)=CC=C12)C1C=CC=CC=1"	"?"	"InChI=1S/C18H13ClN2O/c1-2-10-21-16-9-8-14(19)11-15(16)18(20-12-17(21)22)13-6-4-3-5-7-13/h1,3-9,11H,10,12H2"	"MFZOSKPPVCIFMT-UHFFFAOYSA-N"	"5819.0"	"4"	"5"	"FALSE"	"TRUE"
"3377"	"73713-65-2"			"Public_CrossChecked"	"[Cl-].[Cl-].CC[NH+](CC)CCOC(=O)c1ccc(NCc2c(CO)c[nH+]c(C)c2O)cc1"	"CC1N=CC(CO)=C(CNC2C=CC(=CC=2)C(=O)OCCN(CC)CC)C=1O"	"[Cl-].[Cl-]"	"InChI=1S/C21H29N3O4/c1-4-24(5-2)10-11-28-21(27)16-6-8-18(9-7-16)23-13-19-17(14-25)12-22-15(3)20(19)26/h6-9,12,23,25-26H,4-5,10-11,13-14H2,1-3H3"	"QBJBWGYVTKMLEV-UHFFFAOYSA-N"	"5900.0"	"4"	"5"	"FALSE"	"TRUE"
"3378"	"2173-57-1"	"DTXSID1051484"	"Isobutyl 2-naphthyl ether"	"EPA_DSSTox"	"CC(C)COC1=CC2=CC=CC=C2C=C1"	"CC(C)COC1=CC2=CC=CC=C2C=C1"	"?"	"InChI=1S/C14H16O/c1-11(2)10-15-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10H2,1-2H3"	"XOHIHZHSDMWWMS-UHFFFAOYSA-N"	"5930.0"	"4"	"5"	"FALSE"	"TRUE"
"3379"	"133-38-0"			"Public_CrossChecked"	"OC(O)=C(O)C(=O)C(O)=O"	"OC(C(=O)C(O)=O)C(O)=O"	"?"	"InChI=1S/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h1,5H,(H,7,8)(H,9,10)"	"RMHHUKGVZFVHED-UHFFFAOYSA-N"	"6000.0"	"4"	"5"	"FALSE"	"TRUE"
"3380"	"22316-47-8"	"DTXSID2046759"	"Clobazam"	"EPA_DSSTox"	"CN1C2=CC=C(Cl)C=C2N(C2=CC=CC=C2)C(=O)CC1=O"	"CN1C2C=CC(Cl)=CC=2N(C2C=CC=CC=2)C(=O)CC1=O"	"?"	"InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3"	"CXOXHMZGEKVPMT-UHFFFAOYSA-N"	"6000.0"	"4"	"5"	"FALSE"	"TRUE"
"3381"	"3700-91-2"			"Public_CrossChecked"	"CCCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCCC"	"CCCOC(=O)C(CC(=O)OCCC)SP(=S)(OC)OC"	"?"	"InChI=1S/C12H23O6PS2/c1-5-7-17-11(13)9-10(12(14)18-8-6-2)21-19(20,15-3)16-4/h10H,5-9H2,1-4H3"	"YBYPIDUKLGNEGL-UHFFFAOYSA-N"	"6000.0"	"4"	"5"	"FALSE"	"TRUE"
"3382"	"651-06-9"	"DTXSID5023613"	"Sulfameter"	"EPA_DSSTox"	"COC1=CN=C(NS(=O)(=O)C2=CC=C(N)C=C2)N=C1"	"COC1=CN=C(NS(=O)(=O)C2C=CC(N)=CC=2)N=C1"	"?"	"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"	"6000.0"	"4"	"5"	"FALSE"	"TRUE"
"3383"	"95-08-9"	"DTXSID80861696"	"Triethylene glycol bis(2-ethylbutyrate)"	"EPA_DSSTox"	"CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC"	"CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC"	"?"	"InChI=1S/C18H34O6/c1-5-15(6-2)17(19)23-13-11-21-9-10-22-12-14-24-18(20)16(7-3)8-4/h15-16H,5-14H2,1-4H3"	"JEYLQCXBYFQJRO-UHFFFAOYSA-N"	"6000.0"	"4"	"5"	"FALSE"	"TRUE"
"3384"	"26377-29-7"	"DTXSID1027897"	"Phosphorodithioic acid, O,O-dimethyl ester, sodium salt"	"EPA_DSSTox"	"[Na+].COP([S-])(=S)OC"	"COP(S)(=S)OC"	"[Na+]"	"InChI=1S/C2H7O2PS2/c1-3-5(6,7)4-2/h1-2H3,(H,6,7)"	"CZGGKXNYNPJFAX-UHFFFAOYSA-N"	"6050.0"	"4"	"5"	"FALSE"	"TRUE"
"3385"	"6012-78-8"	"DTXSID30208870"	"Phenol, 2,2'-thiobis(6-tert-butyl-4-chloro-"	"EPA_DSSTox"	"CC(C)(C)C1=CC(Cl)=CC(SC2=C(O)C(=CC(Cl)=C2)C(C)(C)C)=C1O"	"CC(C)(C)C1=CC(Cl)=CC(SC2=CC(Cl)=CC(=C2O)C(C)(C)C)=C1O"	"?"	"InChI=1S/C20H24Cl2O2S/c1-19(2,3)13-7-11(21)9-15(17(13)23)25-16-10-12(22)8-14(18(16)24)20(4,5)6/h7-10,23-24H,1-6H3"	"STBISWCOPIJZJA-UHFFFAOYSA-N"	"6100.0"	"4"	"5"	"FALSE"	"TRUE"
"3386"	"42609-73-4"	"DTXSID4058100"	"Methyldymron"	"EPA_DSSTox"	"CN(C(O)=NC(C)(C)C1=CC=CC=C1)C1=CC=CC=C1"	"CN(/C(/O)=N/C(C)(C)C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C17H20N2O/c1-17(2,14-10-6-4-7-11-14)18-16(20)19(3)15-12-8-5-9-13-15/h4-13H,1-3H3,(H,18,20)"	"FMINYZXVCTYSNY-UHFFFAOYSA-N"	"6130.0"	"4"	"5"	"FALSE"	"TRUE"
"3387"	"4695-62-9"	"DTXSID60858862"	"d-Fenchone"	"EPA_DSSTox"	"CC1(C)[C@@H]2CC[C@@](C)(C2)C1=O"	"CC1(C)C2CC(C)(CC2)C1=O"	"?"	"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3"	"LHXDLQBQYFFVNW-UHFFFAOYSA-N"	"6160.0"	"4"	"5"	"FALSE"	"TRUE"
"3388"	"2969-87-1"	"DTXSID40183846"	"Adipic acid, methyl vinyl ester"	"EPA_DSSTox"	"COC(=O)CCCCC(=O)OC=C"	"COC(=O)CCCCC(=O)OC=C"	"?"	"InChI=1S/C9H14O4/c1-3-13-9(11)7-5-4-6-8(10)12-2/h3H,1,4-7H2,2H3"	"ABUZDQCQXDZFRG-UHFFFAOYSA-N"	"6200.0"	"4"	"5"	"FALSE"	"TRUE"
"3389"	"5436-21-5"	"DTXSID8052196"	"4,4-Dimethoxybutanone"	"EPA_DSSTox"	"COC(CC(C)=O)OC"	"CC(=O)CC(OC)OC"	"?"	"InChI=1S/C6H12O3/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3"	"PJCCSZUMZMCWSX-UHFFFAOYSA-N"	"6200.0"	"4"	"5"	"FALSE"	"TRUE"
"3390"	"83-64-7"	"DTXSID1058896"	"1-Naphthalenesulfonic acid, 4-amino-5-hydroxy-"	"EPA_DSSTox"	"NC1=C2C(O)=CC=CC2=C(C=C1)S(O)(=O)=O"	"NC1C=CC(=C2C=CC=C(O)C2=1)S(O)(=O)=O"	"?"	"InChI=1S/C10H9NO4S/c11-7-4-5-9(16(13,14)15)6-2-1-3-8(12)10(6)7/h1-5,12H,11H2,(H,13,14,15)"	"LRDIEHDJWYRVPT-UHFFFAOYSA-N"	"6210.0"	"4"	"5"	"FALSE"	"TRUE"
"3391"	"13116-53-5"	"DTXSID5051656"	"1,2,2,3-Tetrachloropropane"	"EPA_DSSTox"	"ClCC(Cl)(Cl)CCl"	"ClC(Cl)(CCl)CCl"	"?"	"InChI=1S/C3H4Cl4/c4-1-3(6,7)2-5/h1-2H2"	"UDPHJTAYHSSOQB-UHFFFAOYSA-N"	"6300.0"	"4"	"5"	"FALSE"	"TRUE"
"3392"	"77-06-5"	"DTXSID0020656"	"Gibberellic acid"	"EPA_DSSTox"	"C[C@@]12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O"	"CC12C3C(C(O)=O)C45CC(O)(CCC4C3(C=CC1O)OC2=O)C(=C)C5"	"?"	"InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)"	"IXORZMNAPKEEDV-UHFFFAOYSA-N"	"6300.0"	"4"	"5"	"FALSE"	"TRUE"
"3393"	"1871-76-7"	"DTXSID30171979"	"2,2-Diphenylacetyl chloride"	"EPA_DSSTox"	"ClC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1"	"O=C(Cl)C(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C14H11ClO/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H"	"MSYLETHDEIJMAF-UHFFFAOYSA-N"	"6330.0"	"4"	"5"	"FALSE"	"TRUE"
"3394"	"4702-64-1"	"DTXSID6052116"	"4,8-Diamino-1,5-dihydroxy-2-(4-methoxyphenyl)anthraquinone"	"EPA_DSSTox"	"COC1=CC=C(C=C1)C1=C(O)C2=C(C(N)=C1)C(=O)C1=C(O)C=CC(N)=C1C2=O"	"COC1C=CC(=CC=1)C1C=C(N)C2=C(C(=O)C3C(C2=O)=C(O)C=CC=3N)C=1O"	"?"	"InChI=1S/C21H16N2O5/c1-28-10-4-2-9(3-5-10)11-8-13(23)16-18(19(11)25)21(27)15-12(22)6-7-14(24)17(15)20(16)26/h2-8,24-25H,22-23H2,1H3"	"OVPZEFAFTQSEJB-UHFFFAOYSA-N"	"6380.0"	"4"	"5"	"FALSE"	"TRUE"
"3395"	"116-52-9"	"DTXSID0041852"	"Dichloralurea"	"EPA_DSSTox"	"OC(NC(=O)NC(O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"	"OC(NC(=O)NC(O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C5H6Cl6N2O3/c6-4(7,8)1(14)12-3(16)13-2(15)5(9,10)11/h1-2,14-15H,(H2,12,13,16)"	"PPJXIHLNYDVTDI-UHFFFAOYSA-N"	"6400.0"	"4"	"5"	"FALSE"	"TRUE"
"3396"	"302-22-7"	"DTXSID6020274"	"Chlormadinone acetate"	"EPA_DSSTox"	"CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O"	"CC12CCC3C(C=C(Cl)C4=CC(=O)CCC43C)C1CCC2(OC(C)=O)C(C)=O"	"?"	"InChI=1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3"	"QMBJSIBWORFWQT-UHFFFAOYSA-N"	"6400.0"	"4"	"5"	"FALSE"	"TRUE"
"3397"	"488-23-3"	"DTXSID4060072"	"1,2,3,4-Tetramethylbenzene"	"EPA_DSSTox"	"CC1=CC=C(C)C(C)=C1C"	"CC1=CC=C(C)C(C)=C1C"	"?"	"InChI=1S/C10H14/c1-7-5-6-8(2)10(4)9(7)3/h5-6H,1-4H3"	"UOHMMEJUHBCKEE-UHFFFAOYSA-N"	"6408.0"	"4"	"5"	"FALSE"	"TRUE"
"3398"	"13361-53-0"	"DTXSID30158200"	"Acetic acid, cyano-, hexyl ester"	"EPA_DSSTox"	"CCCCCCOC(=O)CC#N"	"CCCCCCOC(=O)CC#N"	"?"	"InChI=1S/C9H15NO2/c1-2-3-4-5-8-12-9(11)6-7-10/h2-6,8H2,1H3"	"PWKKBTPSCGLYBR-UHFFFAOYSA-N"	"6440.0"	"4"	"5"	"FALSE"	"TRUE"
"3399"	"6362-79-4"	"DTXSID9029279"	"Sodium 5-sulfoisophthalate"	"EPA_DSSTox"	"[Na+].OC(=O)C1=CC(=CC(=C1)C(O)=O)S([O-])(=O)=O"	"OS(=O)(=O)C1C=C(C=C(C=1)C(O)=O)C(O)=O"	"[Na+]"	"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"	"6450.0"	"4"	"5"	"FALSE"	"TRUE"
"3400"	"79-20-9"	"DTXSID4021767"	"Methyl acetate"	"EPA_DSSTox"	"COC(C)=O"	"COC(C)=O"	"?"	"InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3"	"KXKVLQRXCPHEJC-UHFFFAOYSA-N"	"6482.0"	"4"	"5"	"FALSE"	"TRUE"
"3401"	"112-33-4"	"DTXSID9059418"	"Ethanol, 2-[2-(3-aminopropoxy)ethoxy]-"	"EPA_DSSTox"	"NCCCOCCOCCO"	"NCCCOCCOCCO"	"?"	"InChI=1S/C7H17NO3/c8-2-1-4-10-6-7-11-5-3-9/h9H,1-8H2"	"DCZMLYRQHBZWLZ-UHFFFAOYSA-N"	"6500.0"	"4"	"5"	"FALSE"	"TRUE"
"3402"	"3037-72-7"			"Public_CrossChecked"	"CCO[Si](C)(CCCCN)OCC"	"C[Si](CCCCN)(OCC)OCC"	"?"	"InChI=1S/C9H23NO2Si/c1-4-11-13(3,12-5-2)9-7-6-8-10/h4-10H2,1-3H3"	"YHFFINXFNYQPQA-UHFFFAOYSA-N"	"6500.0"	"4"	"5"	"FALSE"	"TRUE"
"3403"	"534-15-6"	"DTXSID7027178"	"1,1-Dimethoxyethane"	"EPA_DSSTox"	"COC(C)OC"	"CC(OC)OC"	"?"	"InChI=1S/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3"	"SPEUIVXLLWOEMJ-UHFFFAOYSA-N"	"6500.0"	"4"	"5"	"FALSE"	"TRUE"
"3404"	"27302-90-5"			"Public_CrossChecked"	"CS(=O)CC(=O)c1ccccn1"	"CS(=O)CC(=O)C1C=CC=CN=1"	"?"	"InChI=1S/C8H9NO2S/c1-12(11)6-8(10)7-4-2-3-5-9-7/h2-5H,6H2,1H3"	"DSWLRNLRVBAVFC-UHFFFAOYSA-N"	"6550.0"	"4"	"5"	"FALSE"	"TRUE"
"3405"	"50776-39-1"	"DTXSID30198808"	"Tinofedrine hydrochloride"	"EPA_DSSTox"	"Cl.C[C@H](NCC=C(C1=CSC=C1)C1=CSC=C1)[C@H](O)C1=CC=CC=C1"	"CC(NCC=C(C1=CSC=C1)C1=CSC=C1)C(O)C1C=CC=CC=1"	"Cl"	"InChI=1S/C20H21NOS2/c1-15(20(22)16-5-3-2-4-6-16)21-10-7-19(17-8-11-23-13-17)18-9-12-24-14-18/h2-9,11-15,20-22H,10H2,1H3"	"JQSHEDRVRBSFCZ-UHFFFAOYSA-N"	"6600.0"	"4"	"5"	"FALSE"	"TRUE"
"3406"	"10126-87-1"	"DTXSID1064956"	"[2,2'-Bibenzo[b]thiophene]-3,3'-diol, 6,6'-diethoxy-, bis(hydrogen sulfate), disodium salt"	"EPA_DSSTox"	"[Na+].[Na+].CCOC1=CC=C2C(SC(=C2OS([O-])(=O)=O)C2=C(OS([O-])(=O)=O)C3=CC=C(OCC)C=C3S2)=C1"	"CCOC1C=C2SC(C3SC4C=C(C=CC=4C=3OS(O)(=O)=O)OCC)=C(OS(O)(=O)=O)C2=CC=1"	"[Na+].[Na+]"	"InChI=1S/C20H18O10S4/c1-3-27-11-5-7-13-15(9-11)31-19(17(13)29-33(21,22)23)20-18(30-34(24,25)26)14-8-6-12(28-4-2)10-16(14)32-20/h5-10H,3-4H2,1-2H3,(H,21,22,23)(H,24,25,26)"	"LWIBJTRLGQMGLB-UHFFFAOYSA-N"	"6700.0"	"4"	"5"	"FALSE"	"TRUE"
"3407"	"526-18-1"	"DTXSID0042244"	"Osalmid"	"EPA_DSSTox"	"OC1=CC=C(NC(=O)C2=CC=CC=C2O)C=C1"	"OC1C=CC(=CC=1)NC(=O)C1C=CC=CC=1O"	"?"	"InChI=1S/C13H11NO3/c15-10-7-5-9(6-8-10)14-13(17)11-3-1-2-4-12(11)16/h1-8,15-16H,(H,14,17)"	"LGCMKPRGGJRYGM-UHFFFAOYSA-N"	"6702.0"	"4"	"5"	"FALSE"	"TRUE"
"3408"	"1982-69-0"	"DTXSID8027450"	"Sodium dicamba"	"EPA_DSSTox"	"[Na+].COC1=C(C([O-])=O)C(Cl)=CC=C1Cl"	"COC1=C(C(O)=O)C(Cl)=CC=C1Cl"	"[Na+]"	"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"	"6764.0"	"4"	"5"	"FALSE"	"TRUE"
"3409"	"150-84-5"	"DTXSID5051739"	"Citronellyl acetate"	"EPA_DSSTox"	"CC(CCOC(C)=O)CCC=C(C)C"	"CC(C)=CCCC(C)CCOC(C)=O"	"?"	"InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3"	"JOZKFWLRHCDGJA-UHFFFAOYSA-N"	"6800.0"	"4"	"5"	"FALSE"	"TRUE"
"3410"	"6637-88-3"	"DTXSID8025202"	"C.I. Direct Orange 6"	"EPA_DSSTox"	"[Na+].[Na+].CC1=CC(=CC=C1\N=N\C1=CC(C([O-])=O)=C(O)C=C1)C1=CC=C(\N=N\C2=C(N)C(=CC(C)=C2N)S([O-])(=O)=O)C(C)=C1"	"CC1=CC(=CC=C1N=NC1C(N)=C(C=C(C)C=1N)S(O)(=O)=O)C1C=C(C)C(=CC=1)N=NC1=CC(=C(O)C=C1)C(O)=O"	"[Na+].[Na+]"	"InChI=1S/C28H26N6O6S/c1-14-10-17(4-7-21(14)32-31-19-6-9-23(35)20(13-19)28(36)37)18-5-8-22(15(2)11-18)33-34-27-25(29)16(3)12-24(26(27)30)41(38,39)40/h4-13,35H,29-30H2,1-3H3,(H,36,37)(H,38,39,40)"	"QYRKLZKJMKCVSE-UHFFFAOYSA-N"	"6830.0"	"4"	"5"	"FALSE"	"TRUE"
"3411"	"625-69-4"	"DTXSID9032878"	"2,4-Pentanediol"	"EPA_DSSTox"	"CC(O)CC(C)O"	"CC(O)CC(C)O"	"?"	"InChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3"	"GTCCGKPBSJZVRZ-UHFFFAOYSA-N"	"6860.0"	"4"	"5"	"FALSE"	"TRUE"
"3412"	"1113-04-8"			"Public_CrossChecked"	"CC[N+](C)(C)CCO"	"CC[N+](C)(C)CCO"	"?"	"InChI=1S/C6H16NO/c1-4-7(2,3)5-6-8/h8H,4-6H2,1-3H3/q+1"	"VKHSBLZDXXEWNM-UHFFFAOYSA-N"	"6930.0"	"4"	"5"	"FALSE"	"TRUE"
"3413"	"100-79-8"	"DTXSID9021845"	"Solketal"	"EPA_DSSTox"	"CC1(C)OCC(CO)O1"	"CC1(C)OCC(CO)O1"	"?"	"InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3"	"RNVYQYLELCKWAN-UHFFFAOYSA-N"	"7000.0"	"4"	"5"	"FALSE"	"TRUE"
"3414"	"14270-40-7"	"DTXSID00162132"	"Phenol, 3-methyl-4-(methylsulfonyl)-"	"EPA_DSSTox"	"CC1=C(C=CC(O)=C1)S(C)(=O)=O"	"CC1C=C(O)C=CC=1S(C)(=O)=O"	"?"	"InChI=1S/C8H10O3S/c1-6-5-7(9)3-4-8(6)12(2,10)11/h3-5,9H,1-2H3"	"KGPGKOSHODHUSR-UHFFFAOYSA-N"	"7000.0"	"4"	"5"	"FALSE"	"TRUE"
"3415"	"32809-16-8"	"DTXSID9033923"	"Procymidone"	"EPA_DSSTox"	"CC12CC1(C)C(=O)N(C2=O)C1=CC(Cl)=CC(Cl)=C1"	"CC12CC1(C)C(=O)N(C1C=C(Cl)C=C(Cl)C=1)C2=O"	"?"	"InChI=1S/C13H11Cl2NO2/c1-12-6-13(12,2)11(18)16(10(12)17)9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3"	"QXJKBPAVAHBARF-UHFFFAOYSA-N"	"7000.0"	"4"	"5"	"FALSE"	"TRUE"
"3416"	"60-35-5"	"DTXSID7020005"	"Acetamide"	"EPA_DSSTox"	"CC(N)=O"	"CC(N)=O"	"?"	"InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)"	"DLFVBJFMPXGRIB-UHFFFAOYSA-N"	"7000.0"	"4"	"5"	"FALSE"	"TRUE"
"3417"	"10138-43-9"	"DTXSID60143881"	"Propanol, 3-(2-ethoxyethoxy)-"	"EPA_DSSTox"	"CCOCCOCCCO"	"CCOCCOCCCO"	"?"	"InChI=1S/C7H16O3/c1-2-9-6-7-10-5-3-4-8/h8H,2-7H2,1H3"	"BTGGQLNSJKLJPA-UHFFFAOYSA-N"	"7060.0"	"4"	"5"	"FALSE"	"TRUE"
"3418"	"19089-47-5"	"DTXSID90864870"	"2-Ethoxy-1-propanol"	"EPA_DSSTox"	"CCOC(C)CO"	"CCOC(C)CO"	"?"	"InChI=1S/C5H12O2/c1-3-7-5(2)4-6/h5-6H,3-4H2,1-2H3"	"DEDUBNVYPMOFDR-UHFFFAOYSA-N"	"7110.0"	"4"	"5"	"FALSE"	"TRUE"
"3419"	"42711-84-2"	"DTXSID90195398"	"2-Propanol, 1,3-bis((2-hydroxyethyl)amino)-"	"EPA_DSSTox"	"OCCNCC(O)CNCCO"	"OC(CNCCO)CNCCO"	"?"	"InChI=1S/C7H18N2O3/c10-3-1-8-5-7(12)6-9-2-4-11/h7-12H,1-6H2"	"ISNLINDNKXJLCY-UHFFFAOYSA-N"	"7200.0"	"4"	"5"	"FALSE"	"TRUE"
"3420"	"2050-46-6"	"DTXSID6038798"	"1,2-Diethoxybenzene"	"EPA_DSSTox"	"CCOC1=CC=CC=C1OCC"	"CCOC1=CC=CC=C1OCC"	"?"	"InChI=1S/C10H14O2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h5-8H,3-4H2,1-2H3"	"QZYDOKBVZJLQCK-UHFFFAOYSA-N"	"7250.0"	"4"	"5"	"FALSE"	"TRUE"
"3421"	"105-52-2"	"DTXSID4026717"	"2-Butenedioic acid (2Z)-, bis(1,3-dimethylbutyl) ester"	"EPA_DSSTox"	"CC(C)CC(C)OC(=O)\C=C/C(=O)OC(C)CC(C)C"	"CC(C)CC(C)OC(=O)C=CC(=O)OC(C)CC(C)C"	"?"	"InChI=1S/C16H28O4/c1-11(2)9-13(5)19-15(17)7-8-16(18)20-14(6)10-12(3)4/h7-8,11-14H,9-10H2,1-6H3"	"NZQQFMVULBBDSP-UHFFFAOYSA-N"	"7340.0"	"4"	"5"	"FALSE"	"TRUE"
"3422"	"14216-25-2"	"DTXSID4065731"	"2-Propenoic acid, 2-methyl-, 2-(ethylthio)ethyl ester"	"EPA_DSSTox"	"CCSCCOC(=O)C(C)=C"	"CC(=C)C(=O)OCCSCC"	"?"	"InChI=1S/C8H14O2S/c1-4-11-6-5-10-8(9)7(2)3/h2,4-6H2,1,3H3"	"VMKYTTSJFPJNOS-UHFFFAOYSA-N"	"7400.0"	"4"	"5"	"FALSE"	"TRUE"
"3423"	"99-62-7"	"DTXSID8026640"	"1,3-Diisopropylbenzene"	"EPA_DSSTox"	"CC(C)C1=CC(=CC=C1)C(C)C"	"CC(C)C1C=C(C=CC=1)C(C)C"	"?"	"InChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3"	"UNEATYXSUBPPKP-UHFFFAOYSA-N"	"7400.0"	"4"	"5"	"FALSE"	"TRUE"
"3424"	"24902-02-1"			"Public_CrossChecked"	"CCCOC(=O)C1COc2ccccc2O1"	"CCCOC(=O)C1COC2C=CC=CC=2O1"	"?"	"InChI=1S/C12H14O4/c1-2-7-14-12(13)11-8-15-9-5-3-4-6-10(9)16-11/h3-6,11H,2,7-8H2,1H3"	"GIWVWMBTCWHKMO-UHFFFAOYSA-N"	"7450.0"	"4"	"5"	"FALSE"	"TRUE"
"3425"	"3775-85-7"			"Public_CrossChecked"	"CC1(COCCOCC2(C)CO2)CO1"	"CC1(COCCOCC2(C)CO2)CO1"	"?"	"InChI=1S/C10H18O4/c1-9(7-13-9)5-11-3-4-12-6-10(2)8-14-10/h3-8H2,1-2H3"	"BMSUMUHITJFMQX-UHFFFAOYSA-N"	"7460.0"	"4"	"5"	"FALSE"	"TRUE"
"3426"	"121-02-8"	"DTXSID10153096"	"o-Toluenesulfonyl chloride, 5-nitro-"	"EPA_DSSTox"	"CC1=C(C=C(C=C1)[N+]([O-])=O)S(Cl)(=O)=O"	"CC1C=CC(=CC=1S(=O)(=O)Cl)[N+]([O-])=O"	"?"	"InChI=1S/C7H6ClNO4S/c1-5-2-3-6(9(10)11)4-7(5)14(8,12)13/h2-4H,1H3"	"WPGVQDHXOUAJBW-UHFFFAOYSA-N"	"7470.0"	"4"	"5"	"FALSE"	"TRUE"
"3427"	"119-67-5"	"DTXSID1059490"	"Benzoic acid, 2-formyl-"	"EPA_DSSTox"	"OC(=O)C1=C(C=O)C=CC=C1"	"OC(=O)C1C=CC=CC=1C=O"	"?"	"InChI=1S/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11)"	"DYNFCHNNOHNJFG-UHFFFAOYSA-N"	"7500.0"	"4"	"5"	"FALSE"	"TRUE"
"3428"	"2905-23-9"	"DTXSID3074731"	"Benzenesulfonyl chloride, 2-chloro-"	"EPA_DSSTox"	"ClC1=C(C=CC=C1)S(Cl)(=O)=O"	"O=S(=O)(Cl)C1C=CC=CC=1Cl"	"?"	"InChI=1S/C6H4Cl2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H"	"KMVZDSQHLDGKGV-UHFFFAOYSA-N"	"7500.0"	"4"	"5"	"FALSE"	"TRUE"
"3429"	"56-85-9"	"DTXSID1023100"	"L-Glutamine"	"EPA_DSSTox"	"N[C@@H](CCC(N)=O)C(O)=O"	"NC(=O)CCC(N)C(O)=O"	"?"	"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)"	"ZDXPYRJPNDTMRX-UHFFFAOYSA-N"	"7500.0"	"4"	"5"	"FALSE"	"TRUE"
"3430"	"16356-11-9"	"DTXSID9047546"	"1,3,5-Undecatriene"	"EPA_DSSTox"	"CCCCCC=CC=CC=C"	"CCCCCC=CC=CC=C"	"?"	"InChI=1S/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h3,5,7,9,11H,1,4,6,8,10H2,2H3"	"JQQDKNVOSLONRS-UHFFFAOYSA-N"	"7563.0"	"4"	"5"	"FALSE"	"TRUE"
"3431"	"62973-76-6"	"DTXSID40212180"	"Azanidazole"	"EPA_DSSTox"	"CN1C(\C=C\C2=NC(N)=NC=C2)=NC=C1[N+]([O-])=O"	"CN1C(=CN=C1C=CC1=CC=NC(N)=N1)[N+]([O-])=O"	"?"	"InChI=1S/C10H10N6O2/c1-15-8(13-6-9(15)16(17)18)3-2-7-4-5-12-10(11)14-7/h2-6H,1H3,(H2,11,12,14)"	"LHIALLMPKJMSIQ-UHFFFAOYSA-N"	"7600.0"	"4"	"5"	"FALSE"	"TRUE"
"3432"	"108-80-5"	"DTXSID7024873"	"Cyanuric acid"	"EPA_DSSTox"	"OC1=NC(O)=NC(O)=N1"	"OC1N=C(O)N=C(O)N=1"	"?"	"InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)"	"ZFSLODLOARCGLH-UHFFFAOYSA-N"	"7700.0"	"4"	"5"	"FALSE"	"TRUE"
"3433"	"4457-71-0"	"DTXSID1063483"	"3-Methyl-1,5-pentanediol"	"EPA_DSSTox"	"CC(CCO)CCO"	"CC(CCO)CCO"	"?"	"InChI=1S/C6H14O2/c1-6(2-4-7)3-5-8/h6-8H,2-5H2,1H3"	"SXFJDZNJHVPHPH-UHFFFAOYSA-N"	"7784.0"	"4"	"5"	"FALSE"	"TRUE"
"3434"	"77-71-4"	"DTXSID5021754"	"5,5-Dimethylhydantoin"	"EPA_DSSTox"	"CC1(C)NC(=O)NC1=O"	"CC1(C)NC(=O)NC1=O"	"?"	"InChI=1S/C5H8N2O2/c1-5(2)3(8)6-4(9)7-5/h1-2H3,(H2,6,7,8,9)"	"YIROYDNZEPTFOL-UHFFFAOYSA-N"	"7800.0"	"4"	"5"	"FALSE"	"TRUE"
"3435"	"142-88-1"	"DTXSID2059724"	"Piperazine adipate (1:1)"	"EPA_DSSTox"	"C1CNCCN1.OC(=O)CCCCC(O)=O"	"OC(=O)CCCCC(O)=O"	"N1CCNCC1"	"InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)"	"WNLRTRBMVRJNCN-UHFFFAOYSA-N"	"7900.0"	"4"	"5"	"FALSE"	"TRUE"
"3436"	"3615-74-5"	"DTXSID80189721"	"Promolate"	"EPA_DSSTox"	"CC(C)(OC1=CC=CC=C1)C(=O)OCCN1CCOCC1"	"CC(C)(OC1C=CC=CC=1)C(=O)OCCN1CCOCC1"	"?"	"InChI=1S/C16H23NO4/c1-16(2,21-14-6-4-3-5-7-14)15(18)20-13-10-17-8-11-19-12-9-17/h3-7H,8-13H2,1-2H3"	"GMISKEUWHIRDNK-UHFFFAOYSA-N"	"7920.0"	"4"	"5"	"FALSE"	"TRUE"
"3437"	"14007-45-5"	"DTXSID50891147"	"Aspartic acid, potassium salt"	"EPA_DSSTox"	"[K+].[K+].N[C@@H](CC([O-])=O)C([O-])=O"	"NC(CC(O)=O)C(O)=O"	"[K+].[K+]"	"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)"	"CKLJMWTZIZZHCS-UHFFFAOYSA-N"	"7937.0"	"4"	"5"	"FALSE"	"TRUE"
"3438"	"133-10-8"	"DTXSID0046066"	"Sodium 4-aminosalicylate"	"EPA_DSSTox"	"[Na+].NC1=CC=C(C([O-])=O)C(O)=C1"	"NC1=CC(O)=C(C=C1)C(O)=O"	"[Na+]"	"InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)"	"WUBBRNOQWQTFEX-UHFFFAOYSA-N"	"8000.0"	"4"	"5"	"FALSE"	"TRUE"
"3439"	"41905-79-7"	"DTXSID00194675"	"1H-Inden-1-one, 3-(acetyloxy)-2-(2,4,6-trimethylphenyl)-"	"EPA_DSSTox"	"CC(=O)OC1=C(C(=O)C2=CC=CC=C12)C1=C(C)C=C(C)C=C1C"	"CC(=O)OC1=C(C2C(C)=CC(C)=CC=2C)C(=O)C2C=CC=CC=21"	"?"	"InChI=1S/C20H18O3/c1-11-9-12(2)17(13(3)10-11)18-19(22)15-7-5-6-8-16(15)20(18)23-14(4)21/h5-10H,1-4H3"	"CYSZMKSQBPQJOR-UHFFFAOYSA-N"	"8000.0"	"4"	"5"	"FALSE"	"TRUE"
"3440"	"72977-18-5"			"Public_CrossChecked"	"OP(O)(O)=O.Nc1ccc(cc1)C(O)=O"	"NC1=CC=C(C=C1)C(O)=O"	"OP(=O)(O)O"	"InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)"	"ALYNCZNDIQEVRV-UHFFFAOYSA-N"	"8000.0"	"4"	"5"	"FALSE"	"TRUE"
"3441"	"3758-54-1"	"DTXSID9052050"	"N-(2-Hydroxyethyl)-N,N-dimethyl-3-(octadecanoylamino)propan-1-aminium dihydrogen phosphate"	"EPA_DSSTox"	"OP(O)([O-])=O.CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO"	"CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO"	"P(O)(O)(=O)[O-]"	"InChI=1S/C25H52N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(29)26-21-19-22-27(2,3)23-24-28/h28H,4-24H2,1-3H3/p+1"	"WYRIQSJBDPBLDQ-UHFFFAOYSA-O"	"8100.0"	"4"	"5"	"FALSE"	"TRUE"
"3442"	"312-94-7"	"DTXSID10185130"	"alpha,alpha,alpha-Trifluoro-o-toluoyl chloride"	"EPA_DSSTox"	"FC(F)(F)C1=CC=CC=C1C(Cl)=O"	"O=C(Cl)C1C=CC=CC=1C(F)(F)F"	"?"	"InChI=1S/C8H4ClF3O/c9-7(13)5-3-1-2-4-6(5)8(10,11)12/h1-4H"	"MXIUWSYTQJLIKE-UHFFFAOYSA-N"	"8200.0"	"4"	"5"	"FALSE"	"TRUE"
"3443"	"756-79-6"	"DTXSID0020494"	"Dimethyl methylphosphonate"	"EPA_DSSTox"	"COP(C)(=O)OC"	"CP(=O)(OC)OC"	"?"	"InChI=1S/C3H9O3P/c1-5-7(3,4)6-2/h1-3H3"	"VONWDASPFIQPDY-UHFFFAOYSA-N"	"8210.0"	"4"	"5"	"FALSE"	"TRUE"
"3444"	"80830-42-8"	"DTXSID80230646"	"Rentiapril"	"EPA_DSSTox"	"OC(=O)[C@@H]1CS[C@@H](N1C(=O)CCS)C1=CC=CC=C1O"	"OC(=O)C1CSC(C2=CC=CC=C2O)N1C(=O)CCS"	"?"	"InChI=1S/C13H15NO4S2/c15-10-4-2-1-3-8(10)12-14(11(16)5-6-19)9(7-20-12)13(17)18/h1-4,9,12,15,19H,5-7H2,(H,17,18)"	"BSHDUMDXSRLRBI-UHFFFAOYSA-N"	"8290.0"	"4"	"5"	"FALSE"	"TRUE"
"3445"	"117-83-9"	"DTXSID9047174"	"Bis(2-butoxyethyl) phthalate"	"EPA_DSSTox"	"CCCCOCCOC(=O)C1=CC=CC=C1C(=O)OCCOCCCC"	"CCCCOCCOC(=O)C1C=CC=CC=1C(=O)OCCOCCCC"	"?"	"InChI=1S/C20H30O6/c1-3-5-11-23-13-15-25-19(21)17-9-7-8-10-18(17)20(22)26-16-14-24-12-6-4-2/h7-10H,3-6,11-16H2,1-2H3"	"CMCJNODIWQEOAI-UHFFFAOYSA-N"	"8380.0"	"4"	"5"	"FALSE"	"TRUE"
"3446"	"18472-87-2"	"DTXSID1031090"	"D&C Red 28"	"EPA_DSSTox"	"[Na+].[Na+].OC1=C(Br)C2=C(C=C1Br)C(C1=C(O2)C(Br)=C([O-])C(Br)=C1)C1=C(C([O-])=O)C(Cl)=C(Cl)C(Cl)=C1Cl"	"OC(=O)C1=C(C2C3C=C(Br)C(O)=C(Br)C=3OC3=C2C=C(Br)C(O)=C3Br)C(Cl)=C(Cl)C(Cl)=C1Cl"	"[Na+].[Na+]"	"InChI=1S/C20H6Br4Cl4O5/c21-5-1-3-7(8-9(20(31)32)13(26)15(28)14(27)12(8)25)4-2-6(22)17(30)11(24)19(4)33-18(3)10(23)16(5)29/h1-2,7,29-30H,(H,31,32)"	"HKTUQAWIWHQYCO-UHFFFAOYSA-N"	"8400.0"	"4"	"5"	"FALSE"	"TRUE"
"3447"	"59-14-3"	"DTXSID7033105"	"5-Bromo-2'-deoxyuridine"	"EPA_DSSTox"	"OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(Br)C(=O)NC1=O"	"OC1CC(OC1CO)N1C=C(Br)C(=O)NC1=O"	"?"	"InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)"	"WOVKYSAHUYNSMH-UHFFFAOYSA-N"	"8400.0"	"4"	"5"	"FALSE"	"TRUE"
"3448"	"88-62-0"	"DTXSID1058973"	"Benzenesulfonic acid, 2-amino-4-methyl-"	"EPA_DSSTox"	"CC1=CC(N)=C(C=C1)S(O)(=O)=O"	"CC1C=CC(=C(N)C=1)S(O)(=O)=O"	"?"	"InChI=1S/C7H9NO3S/c1-5-2-3-7(6(8)4-5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)"	"FJHGMUDVUAXUEK-UHFFFAOYSA-N"	"8480.0"	"4"	"5"	"FALSE"	"TRUE"
"3449"	"3547-33-9"	"DTXSID6032516"	"2-Hydroxyethyl octyl sulfide"	"EPA_DSSTox"	"CCCCCCCCSCCO"	"CCCCCCCCSCCO"	"?"	"InChI=1S/C10H22OS/c1-2-3-4-5-6-7-9-12-10-8-11/h11H,2-10H2,1H3"	"KXPXKNBDCUOENF-UHFFFAOYSA-N"	"8530.0"	"4"	"5"	"FALSE"	"TRUE"
"3450"	"22898-01-7"	"DTXSID9066837"	"Fluopropanate-sodium"	"EPA_DSSTox"	"[Na+].[O-]C(=O)C(F)(F)C(F)F"	"OC(=O)C(F)(F)C(F)F"	"[Na+]"	"InChI=1S/C3H2F4O2/c4-1(5)3(6,7)2(8)9/h1H,(H,8,9)"	"PXRROZVNOOEPPZ-UHFFFAOYSA-N"	"8570.0"	"4"	"5"	"FALSE"	"TRUE"
"3451"	"62637-93-8"	"DTXSID00211694"	"Trimethylamine oxide dihydrate"	"EPA_DSSTox"	"O.O.C[N+](C)(C)[O-]"	"C[N+](C)(C)[O-]"	"O.O"	"InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3"	"UYPYRKYUKCHHIB-UHFFFAOYSA-N"	"8700.0"	"4"	"5"	"FALSE"	"TRUE"
"3452"	"730-98-3"			"Public_CrossChecked"	"ON=CC(O)(C#Cc1ccccc1)c1ccccc1"	"OC(CN=O)(C#CC1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C16H13NO2/c18-16(13-17-19,15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,18H,13H2"	"ATNCAPZZRWUFJK-UHFFFAOYSA-N"	"8750.0"	"4"	"5"	"FALSE"	"TRUE"
"3453"	"108-29-2"	"DTXSID0047618"	"4-Pentanolide"	"EPA_DSSTox"	"CC1CCC(=O)O1"	"CC1CCC(=O)O1"	"?"	"InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3"	"GAEKPEKOJKCEMS-UHFFFAOYSA-N"	"8800.0"	"4"	"5"	"FALSE"	"TRUE"
"3454"	"6284-81-7"	"DTXSID10212016"	"Butane, 1,1',1'',1'''-(1,2-ethanediylidenetetrakis(oxy))tetrakis- (9CI)"	"EPA_DSSTox"	"CCCCOC(OCCCC)C(OCCCC)OCCCC"	"CCCCOC(OCCCC)C(OCCCC)OCCCC"	"?"	"InChI=1S/C18H38O4/c1-5-9-13-19-17(20-14-10-6-2)18(21-15-11-7-3)22-16-12-8-4/h17-18H,5-16H2,1-4H3"	"LNDOAJBBKMXYGW-UHFFFAOYSA-N"	"8900.0"	"4"	"5"	"FALSE"	"TRUE"
"3455"	"142-30-3"	"DTXSID2027096"	"2,5-Dimethyl-3-hexyne-2,5-diol"	"EPA_DSSTox"	"CC(C)(O)C#CC(C)(C)O"	"CC(C)(O)C#CC(C)(C)O"	"?"	"InChI=1S/C8H14O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,1-4H3"	"IHJUECRFYCQBMW-UHFFFAOYSA-N"	"9000.0"	"4"	"5"	"FALSE"	"TRUE"
"3456"	"569-58-4"	"DTXSID20889354"	"Benzoic acid, 3,3'-[(3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methylene]bis[6-hydroxy-, ammonium salt (1:3)"	"EPA_DSSTox"	"[NH4+].[NH4+].[NH4+].OC1=CC=C(C=C1C([O-])=O)C(C1=CC(C([O-])=O)=C(O)C=C1)=C1C=CC(=O)C(=C1)C([O-])=O"	"OC1C=CC(=CC=1C(O)=O)/C(=C1/C=CC(=O)C(=C/1)C(O)=O)/C1C=C(C(O)=CC=1)C(O)=O"	"[NH4+].[NH4+].[NH4+]"	"InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)"	"GIXWDMTZECRIJT-UHFFFAOYSA-N"	"9000.0"	"4"	"5"	"FALSE"	"TRUE"
"3457"	"125-12-2"	"DTXSID7042061"	"Isobornyl acetate"	"EPA_DSSTox"	"CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C"	"CC1(C)C2CC(OC(C)=O)C1(C)CC2"	"?"	"InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3"	"KGEKLUUHTZCSIP-UHFFFAOYSA-N"	"9050.0"	"4"	"5"	"FALSE"	"TRUE"
"3458"	"101-68-8"	"DTXSID7025180"	"4,4'-Diphenylmethane diisocyanate"	"EPA_DSSTox"	"O=C=NC1=CC=C(CC2=CC=C(C=C2)N=C=O)C=C1"	"O=C=NC1C=CC(CC2C=CC(=CC=2)N=C=O)=CC=1"	"?"	"InChI=1S/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2"	"UPMLOUAZCHDJJD-UHFFFAOYSA-N"	"9200.0"	"4"	"5"	"FALSE"	"TRUE"
"3459"	"13009-99-9"	"DTXSID00156334"	"Mafenide acetate"	"EPA_DSSTox"	"CC(O)=O.NCC1=CC=C(C=C1)S(N)(=O)=O"	"NCC1=CC=C(C=C1)S(N)(=O)=O"	"OC(=O)C"	"InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)"	"TYMRLRRVMHJFTF-UHFFFAOYSA-N"	"9212.0"	"4"	"5"	"FALSE"	"TRUE"
"3460"	"95719-26-9"			"Public_CrossChecked"	"OC(C1CCCCC1)c1ccccc1"	"OC(C1CCCCC1)C1C=CC=CC=1"	"?"	"InChI=1S/C13H18O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12-14H,2,5-6,9-10H2"	"QDYKZBKCLHBUHU-UHFFFAOYSA-N"	"9300.0"	"4"	"5"	"FALSE"	"TRUE"
"3461"	"71771-90-9"	"DTXSID8045800"	"Denopamine"	"EPA_DSSTox"	"COC1=CC=C(CCNC[C@H](O)C2=CC=C(O)C=C2)C=C1OC"	"COC1=CC=C(CCNCC(O)C2=CC=C(O)C=C2)C=C1OC"	"?"	"InChI=1S/C18H23NO4/c1-22-17-8-3-13(11-18(17)23-2)9-10-19-12-16(21)14-4-6-15(20)7-5-14/h3-8,11,16,19-21H,9-10,12H2,1-2H3"	"VHSBBVZJABQOSG-UHFFFAOYSA-N"	"9369.0"	"4"	"5"	"FALSE"	"TRUE"
"3462"	"32887-03-9"	"DTXSID1045453"	"Pivmecillinam hydrochloride"	"EPA_DSSTox"	"Cl.CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N=CN1CCCCCC1)C2=O"	"CC(C)(C)C(=O)OCOC(=O)C1N2C(SC1(C)C)C(N=CN1CCCCCC1)C2=O"	"Cl"	"InChI=1S/C21H33N3O5S/c1-20(2,3)19(27)29-13-28-18(26)15-21(4,5)30-17-14(16(25)24(15)17)22-12-23-10-8-6-7-9-11-23/h12,14-15,17H,6-11,13H2,1-5H3"	"NPGNOVNWUSPMDP-UHFFFAOYSA-N"	"9500.0"	"4"	"5"	"FALSE"	"TRUE"
"3463"	"74039-02-4"	"DTXSID10224912"	"2H-Naphtho(1,2-d)triazole-6,8-disulfonic acid, 2-(4'-amino-3'-sulfo-1,1'-biphenyl-4-yl)-, tripotassium salt"	"EPA_DSSTox"	"[K+].[K+].[K+].NC1=C(C=C(C=C1)C1=CC=C(C=C1)N1N=C2C=CC3=C(C=C(C=C3S([O-])(=O)=O)S([O-])(=O)=O)C2=N1)S([O-])(=O)=O"	"NC1=CC=C(C=C1S(O)(=O)=O)C1C=CC(=CC=1)N1N=C2C=CC3C(=CC(=CC=3S(O)(=O)=O)S(O)(=O)=O)C2=N1"	"[K+].[K+].[K+]"	"InChI=1S/C22H16N4O9S3/c23-18-7-3-13(9-21(18)38(33,34)35)12-1-4-14(5-2-12)26-24-19-8-6-16-17(22(19)25-26)10-15(36(27,28)29)11-20(16)37(30,31)32/h1-11H,23H2,(H,27,28,29)(H,30,31,32)(H,33,34,35)"	"YTSMYWNOFUYYDF-UHFFFAOYSA-N"	"9500.0"	"4"	"5"	"FALSE"	"TRUE"
"3464"	"35457-80-8"	"DTXSID5045463"	"Midecamycin"	"EPA_DSSTox"	"CCC(=O)O[C@H]1[C@H](C)O[C@H](C[C@@]1(C)O)O[C@@H]1[C@@H](C)O[C@@H](O[C@H]2[C@@H](CC=O)C[C@@H](C)[C@@H](O)\C=C\C=C\C[C@@H](C)OC(=O)C[C@@H](OC(=O)CC)[C@@H]2OC)[C@H](O)[C@H]1N(C)C"	"COC1C(OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC)C(C)O3)C(C2O)N(C)C)C(CC=O)CC(C)C(O)C=CC=CCC(C)OC(=O)CC1OC(=O)CC"	"?"	"InChI=1S/C41H67NO15/c1-11-30(45)54-29-21-32(47)51-24(4)16-14-13-15-17-28(44)23(3)20-27(18-19-43)37(38(29)50-10)57-40-35(48)34(42(8)9)36(25(5)53-40)56-33-22-41(7,49)39(26(6)52-33)55-31(46)12-2/h13-15,17,19,23-29,33-40,44,48-49H,11-12,16,18,20-22H2,1-10H3"	"DMUAPQTXSSNEDD-UHFFFAOYSA-N"	"9600.0"	"4"	"5"	"FALSE"	"TRUE"
"3465"	"502-85-2"	"DTXSID3048940"	"Sodium 4-hydroxybutanoate"	"EPA_DSSTox"	"[Na+].OCCCC([O-])=O"	"OCCCC(O)=O"	"[Na+]"	"InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)"	"SJZRECIVHVDYJC-UHFFFAOYSA-N"	"9690.0"	"4"	"5"	"FALSE"	"TRUE"
"3466"	"94-51-9"			"Public_CrossChecked"	"O=C(OCCCOCCCOC(=O)c1ccccc1)c1ccccc1"	"O=C(OCCCOCCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1"	"?"	"InChI=1S/C20H22O5/c21-19(17-9-3-1-4-10-17)24-15-7-13-23-14-8-16-25-20(22)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2"	"BYQDGAVOOHIJQS-UHFFFAOYSA-N"	"9800.0"	"4"	"5"	"FALSE"	"TRUE"
"3467"	"660-68-4"	"DTXSID9044320"	"Diethylamine hydrochloride"	"EPA_DSSTox"	"Cl.CCNCC"	"CCNCC"	"Cl"	"InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3"	"HPNMFZURTQLUMO-UHFFFAOYSA-N"	"9900.00000000001"	"4"	"5"	"FALSE"	"TRUE"
"3468"	"78-37-5"	"DTXSID4047410"	"Linalyl cinnamate"	"EPA_DSSTox"	"CC(C)=CCCC(C)(OC(=O)C=CC1=CC=CC=C1)C=C"	"CC(C)=CCCC(C)(C=C)OC(=O)C=CC1C=CC=CC=1"	"?"	"InChI=1S/C19H24O2/c1-5-19(4,15-9-10-16(2)3)21-18(20)14-13-17-11-7-6-8-12-17/h5-8,10-14H,1,9,15H2,2-4H3"	"DPFUEXLIKDHJNB-UHFFFAOYSA-N"	"9960.0"	"4"	"5"	"FALSE"	"TRUE"
"3469"	"132-89-8"			"Public_CrossChecked"	"ClCCC1NC(=O)c2ccccc2O1"	"O=C1NC(CCCl)OC2C=CC=CC=21"	"?"	"InChI=1S/C10H10ClNO2/c11-6-5-9-12-10(13)7-3-1-2-4-8(7)14-9/h1-4,9H,5-6H2,(H,12,13)"	"YEKMWXFHPZBZLR-UHFFFAOYSA-N"	"10000.0"	"4"	"5"	"FALSE"	"TRUE"
"3470"	"17804-35-2"	"DTXSID5023900"	"Benomyl"	"EPA_DSSTox"	"CCCCNC(=O)N1C(NC(=O)OC)=NC2=C1C=CC=C2"	"CCCCNC(=O)N1C(NC(=O)OC)=NC2C=CC=CC1=2"	"?"	"InChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20)"	"RIOXQFHNBCKOKP-UHFFFAOYSA-N"	"10000.0"	"4"	"5"	"FALSE"	"TRUE"
"3471"	"21649-57-0"	"DTXSID40176036"	"Carbenicillin Phenyl Sodium"	"EPA_DSSTox"	"[Na+].CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)OC3=CC=CC=C3)C3=CC=CC=C3)C(=O)N2[C@H]1C([O-])=O"	"CC1(C)SC2C(NC(=O)C(C3C=CC=CC=3)C(=O)OC3C=CC=CC=3)C(=O)N2C1C(O)=O"	"[Na+]"	"InChI=1S/C23H22N2O6S/c1-23(2)17(21(28)29)25-19(27)16(20(25)32-23)24-18(26)15(13-9-5-3-6-10-13)22(30)31-14-11-7-4-8-12-14/h3-12,15-17,20H,1-2H3,(H,24,26)(H,28,29)"	"NZDASSHFKWDBBU-UHFFFAOYSA-N"	"10000.0"	"4"	"5"	"FALSE"	"TRUE"
"3472"	"2440-22-4"	"DTXSID1027479"	"2-(2H-Benzotriazol-2-yl)-4-methylphenol"	"EPA_DSSTox"	"CC1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1"	"CC1=CC(=C(O)C=C1)N1N=C2C=CC=CC2=N1"	"?"	"InChI=1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3"	"MCPKSFINULVDNX-UHFFFAOYSA-N"	"10000.0"	"4"	"5"	"FALSE"	"TRUE"
"3473"	"32061-14-6"			"Public_CrossChecked"	"COc1ccc(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1"	"C[n]1c(C)c(N=CC2C=CC(=CC=2)OC)c(=O)[n]1C1C=CC=CC=1"	"?"	"InChI=1S/C19H19N3O2/c1-14-18(20-13-15-9-11-17(24-3)12-10-15)19(23)22(21(14)2)16-7-5-4-6-8-16/h4-13H,1-3H3"	"ZGXWYJRISPAZPS-UHFFFAOYSA-N"	"10000.0"	"4"	"5"	"FALSE"	"TRUE"
"3474"	"37661-08-8"	"DTXSID0045466"	"Bacampicillin hydrochloride"	"EPA_DSSTox"	"Cl.CCOC(=O)OC(C)OC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)[C@H](N)C1=CC=CC=C1)C2=O"	"CC(OC(=O)OCC)OC(=O)C1N2C(SC1(C)C)C(NC(=O)C(N)C1=CC=CC=C1)C2=O"	"Cl"	"InChI=1S/C21H27N3O7S/c1-5-29-20(28)31-11(2)30-19(27)15-21(3,4)32-18-14(17(26)24(15)18)23-16(25)13(22)12-9-7-6-8-10-12/h6-11,13-15,18H,5,22H2,1-4H3,(H,23,25)"	"PFOLLRNADZZWEX-UHFFFAOYSA-N"	"10000.0"	"4"	"5"	"FALSE"	"TRUE"
"3475"	"55283-68-6"	"DTXSID8032386"	"Ethalfluralin"	"EPA_DSSTox"	"CCN(CC(C)=C)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O"	"CC(=C)CN(CC)C1C(=CC(=CC=1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O"	"?"	"InChI=1S/C13H14F3N3O4/c1-4-17(7-8(2)3)12-10(18(20)21)5-9(13(14,15)16)6-11(12)19(22)23/h5-6H,2,4,7H2,1,3H3"	"PTFJIKYUEPWBMS-UHFFFAOYSA-N"	"10000.0"	"4"	"5"	"FALSE"	"TRUE"
"3476"	"5837-67-2"	"DTXSID80207090"	"Maleic anhydride, dihydroxy-, bis(hydrocinnamate)"	"EPA_DSSTox"	"O=C(CCC1=CC=CC=C1)OC1=C(OC(=O)CCC2=CC=CC=C2)C(=O)OC1=O"	"O=C(CCC1C=CC=CC=1)OC1=C(OC(=O)CCC2C=CC=CC=2)C(=O)OC1=O"	"?"	"InChI=1S/C22H18O7/c23-17(13-11-15-7-3-1-4-8-15)27-19-20(22(26)29-21(19)25)28-18(24)14-12-16-9-5-2-6-10-16/h1-10H,11-14H2"	"CIMLPWNHKBNSGM-UHFFFAOYSA-N"	"10000.0"	"4"	"5"	"FALSE"	"TRUE"
"3477"	"64532-94-1"	"DTXSID90858794"	"Diphenyl o-isopropylphenylphenyl phosphate"	"EPA_DSSTox"	"CC(C)C1=C(OP(=O)(OC2=CC=CC=C2)OC2=CC=CC=C2)C=CC=C1"	"CC(C)C1=CC=CC=C1OP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1"	"?"	"InChI=1S/C21H21O4P/c1-17(2)20-15-9-10-16-21(20)25-26(22,23-18-11-5-3-6-12-18)24-19-13-7-4-8-14-19/h3-17H,1-2H3"	"JJXNVYMIYBNZQX-UHFFFAOYSA-N"	"10000.0"	"4"	"5"	"FALSE"	"TRUE"
"3478"	"68302-57-8"	"DTXSID2022595"	"Amlenanox"	"EPA_DSSTox"	"CC(C)C1=CC=C2OC3=C(C=C(C(O)=O)C(N)=N3)C(=O)C2=C1"	"CC(C)C1C=C2C(=CC=1)OC1N=C(N)C(=CC=1C2=O)C(O)=O"	"?"	"InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)"	"SGRYPYWGNKJSDL-UHFFFAOYSA-N"	"10000.0"	"4"	"5"	"FALSE"	"TRUE"
"3479"	"80734-02-7"	"DTXSID0057835"	"Lenampicillin hydrochloride"	"EPA_DSSTox"	"Cl.CC1=C(COC(=O)[C@@H]2N3[C@H](SC2(C)C)[C@H](NC(=O)[C@H](N)C2=CC=CC=C2)C3=O)OC(=O)O1"	"CC1OC(=O)OC=1COC(=O)C1N2C(SC1(C)C)C(NC(=O)C(N)C1C=CC=CC=1)C2=O"	"Cl"	"InChI=1S/C21H23N3O7S/c1-10-12(31-20(28)30-10)9-29-19(27)15-21(2,3)32-18-14(17(26)24(15)18)23-16(25)13(22)11-7-5-4-6-8-11/h4-8,13-15,18H,9,22H2,1-3H3,(H,23,25)"	"ZKUKMWMSYCIYRD-UHFFFAOYSA-N"	"10000.0"	"4"	"5"	"FALSE"	"TRUE"
"3480"	"3385-41-9"	"DTXSID30889466"	"Diammonium adipate"	"EPA_DSSTox"	"[NH4+].[NH4+].[O-]C(=O)CCCCC([O-])=O"	"OC(=O)CCCCC(O)=O"	"[NH4+].[NH4+]"	"InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)"	"WNLRTRBMVRJNCN-UHFFFAOYSA-N"	"10040.0"	"4"	"5"	"FALSE"	"TRUE"
"3481"	"2580-78-1"	"DTXSID5025992"	"Reactive Blue 19"	"EPA_DSSTox"	"[Na+].[Na+].NC1=C(C=C(NC2=CC(=CC=C2)S(=O)(=O)CCOS([O-])(=O)=O)C2=C1C(=O)C1=C(C=CC=C1)C2=O)S([O-])(=O)=O"	"NC1=C2C(=C(C=C1S(O)(=O)=O)NC1C=C(C=CC=1)S(=O)(=O)CCOS(O)(=O)=O)C(=O)C1C=CC=CC=1C2=O"	"[Na+].[Na+]"	"InChI=1S/C22H18N2O11S3/c23-20-17(37(29,30)31)11-16(18-19(20)22(26)15-7-2-1-6-14(15)21(18)25)24-12-4-3-5-13(10-12)36(27,28)9-8-35-38(32,33)34/h1-7,10-11,24H,8-9,23H2,(H,29,30,31)(H,32,33,34)"	"VGPIJNLQDSYRBZ-UHFFFAOYSA-N"	"10135.0"	"4"	"5"	"FALSE"	"TRUE"
"3482"	"9004-64-2"	"DTXSID6044270"	"Hydroxypropyl cellulose"	"EPA_DSSTox"	"CC(O)COC[C@H]1O[C@@H](O)[C@H](OCC(C)O)[C@@H](OCC(C)O)[C@@H]1O"	"CC(O)COC1C(OCC(C)O)C(O)OC(COCC(C)O)C1O"	"?"	"InChI=1S/C15H30O9/c1-8(16)4-21-7-11-12(19)13(22-5-9(2)17)14(15(20)24-11)23-6-10(3)18/h8-20H,4-7H2,1-3H3"	"UJVWTHKJVRJAOZ-UHFFFAOYSA-N"	"10200.0"	"4"	"5"	"FALSE"	"TRUE"
"3483"	"106-36-5"	"DTXSID4042337"	"Propyl propionate"	"EPA_DSSTox"	"CCCOC(=O)CC"	"CCC(=O)OCCC"	"?"	"InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3"	"MCSINKKTEDDPNK-UHFFFAOYSA-N"	"10331.0"	"4"	"5"	"FALSE"	"TRUE"
"3484"	"79482-06-7"	"DTXSID30229707"	"Chlorketone"	"EPA_DSSTox"	"ClC1(Cl)C(=O)C2=CC=C3CCC4=C3C2=C(C=C4)C1=O"	"O=C1C2=CC=C3CCC4=CC=C(C2=C43)C(=O)C1(Cl)Cl"	"?"	"InChI=1S/C15H8Cl2O2/c16-15(17)13(18)9-5-3-7-1-2-8-4-6-10(14(15)19)12(9)11(7)8/h3-6H,1-2H2"	"VPDNTRHVNHBJCM-UHFFFAOYSA-N"	"10630.0"	"4"	"5"	"FALSE"	"TRUE"
"3485"	"32449-92-6"	"DTXSID6041844"	"D-Glucuronolactone"	"EPA_DSSTox"	"O[C@@H]1O[C@@H]2[C@@H](O)C(=O)O[C@@H]2[C@H]1O"	"OC1OC2C(OC(=O)C2O)C1O"	"?"	"InChI=1S/C6H8O6/c7-1-3-4(12-5(1)9)2(8)6(10)11-3/h1-5,7-9H"	"OGLCQHRZUSEXNB-UHFFFAOYSA-N"	"10700.0"	"4"	"5"	"FALSE"	"TRUE"
"3486"	"28523-86-6"	"DTXSID8046614"	"Sevoflurane"	"EPA_DSSTox"	"FCOC(C(F)(F)F)C(F)(F)F"	"FCOC(C(F)(F)F)C(F)(F)F"	"?"	"InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2"	"DFEYYRMXOJXZRJ-UHFFFAOYSA-N"	"10800.0"	"4"	"5"	"FALSE"	"TRUE"
"3487"	"112-15-2"	"DTXSID6026905"	"2-(2-Ethoxyethoxy)ethyl acetate"	"EPA_DSSTox"	"CCOCCOCCOC(C)=O"	"CCOCCOCCOC(C)=O"	"?"	"InChI=1S/C8H16O4/c1-3-10-4-5-11-6-7-12-8(2)9/h3-7H2,1-2H3"	"FPZWZCWUIYYYBU-UHFFFAOYSA-N"	"11000.0"	"4"	"5"	"FALSE"	"TRUE"
"3488"	"1616-88-2"	"DTXSID2051766"	"2-Methoxyethyl carbamate"	"EPA_DSSTox"	"COCCOC(N)=O"	"COCCOC(N)=O"	"?"	"InChI=1S/C4H9NO3/c1-7-2-3-8-4(5)6/h2-3H2,1H3,(H2,5,6)"	"QAQJKDRAJZWQCM-UHFFFAOYSA-N"	"11000.0"	"4"	"5"	"FALSE"	"TRUE"
"3489"	"73816-77-0"	"DTXSID70224251"	"2-Naphthalenesulfonic acid, 5,6'-iminobis(1-hydroxy-"	"EPA_DSSTox"	"OC1=C(C=CC2=C1C=CC(NC1=CC=CC3=C1C=CC(=C3O)S(O)(=O)=O)=C2)S(O)(=O)=O"	"OC1C2C=CC=C(NC3C=C4C=CC(=C(O)C4=CC=3)S(O)(=O)=O)C=2C=CC=1S(O)(=O)=O"	"?"	"InChI=1S/C20H15NO8S2/c22-19-13-6-5-12(10-11(13)4-8-17(19)30(24,25)26)21-16-3-1-2-15-14(16)7-9-18(20(15)23)31(27,28)29/h1-10,21-23H,(H,24,25,26)(H,27,28,29)"	"KDAAAKLXBBPAHF-UHFFFAOYSA-N"	"11000.0"	"4"	"5"	"FALSE"	"TRUE"
"3490"	"2278-50-4"	"DTXSID9062302"	"1H-Benz[6,7]indazolo[2,3,4-fgh]naphth[2'',3'':6',7']indolo[3',2':5,6]anthra[2,1,9-mna]acridine-2,7,10,15-tetrone"	"EPA_DSSTox"	"O=C1C2=CC=C3C4=C2C(=NN4C2=CC=C4C5=C(C6=C(NC7=C6C=CC6=C7C(=O)C7=CC=CC=C7C6=O)C=C5)C(=O)C5=CC=C3C2=C45)C2=CC=CC=C12"	"O=C1C2C3=C(C=CC=2C2C=CC4=C5C=2C1=CC=C5C1C=CC2=C5C(=NN4C=15)C1C=CC=CC=1C2=O)NC1C2=C(C=CC3=1)C(=O)C1=CC=CC=C1C2=O"	"?"	"InChI=1S/C45H19N3O4/c49-42-24-6-2-1-5-22(24)40-37-29(42)13-10-23-21-9-12-28-33-19(16-18-32(35(21)33)48(47-40)41(23)37)20-15-17-31-34(36(20)45(28)52)27-11-14-30-38(39(27)46-31)44(51)26-8-4-3-7-25(26)43(30)50/h1-18,46H"	"VUSWQWZUVYOZAY-UHFFFAOYSA-N"	"11200.0"	"4"	"5"	"FALSE"	"TRUE"
"3491"	"35170-28-6"			"Public_CrossChecked"	"[K+].Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O"	"NC1=NC=NC2=C1N=CN2C1OC(COP(O)(O)=O)C(O)C1O"	"[K+]"	"InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)"	"UDMBCSSLTHHNCD-UHFFFAOYSA-N"	"11250.0"	"4"	"5"	"FALSE"	"TRUE"
"3492"	"25841-37-6"			"Public_CrossChecked"	"CS(=O)C(C)(C)CO"	"CS(=O)C(C)(C)CO"	"?"	"InChI=1S/C5H12O2S/c1-5(2,4-6)8(3)7/h6H,4H2,1-3H3"	"WMQJISWTXNKOBA-UHFFFAOYSA-N"	"11300.0"	"4"	"5"	"FALSE"	"TRUE"
"3493"	"63867-52-7"	"DTXSID60213316"	"Ethanol, 2,2'-((4,5-diphenyl-2-oxazolyl)imino)di-, monohydrate"	"EPA_DSSTox"	"O.OCCN(CCO)C1=NC(=C(O1)C1=CC=CC=C1)C1=CC=CC=C1"	"OCCN(CCO)C1=NC(=C(O1)C1C=CC=CC=1)C1C=CC=CC=1"	"O"	"InChI=1S/C19H20N2O3/c22-13-11-21(12-14-23)19-20-17(15-7-3-1-4-8-15)18(24-19)16-9-5-2-6-10-16/h1-10,22-23H,11-14H2"	"UUCMDZWCRNZCOY-UHFFFAOYSA-N"	"11380.0"	"4"	"5"	"FALSE"	"TRUE"
"3494"	"6980-18-3"	"DTXSID1040374"	"Kasugamycin"	"EPA_DSSTox"	"C[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]2O)[C@@H](N)C[C@@H]1NC(=N)C(O)=O"	"[H]/N=C(/NC1CC(N)C(OC1C)OC1C(O)C(O)C(O)C(O)C1O)\C(O)=O"	"?"	"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"	"11400.0"	"4"	"5"	"FALSE"	"TRUE"
"3495"	"27541-88-4"	"DTXSID2058047"	"Quinonamid"	"EPA_DSSTox"	"ClC(Cl)C(=O)NC1=C(Cl)C(=O)C2=CC=CC=C2C1=O"	"O=C1C(NC(=O)C(Cl)Cl)=C(Cl)C(=O)C2=CC=CC=C12"	"?"	"InChI=1S/C12H6Cl3NO3/c13-7-8(16-12(19)11(14)15)10(18)6-4-2-1-3-5(6)9(7)17/h1-4,11H,(H,16,19)"	"ZIEWAMOXCOLNSJ-UHFFFAOYSA-N"	"11700.0"	"4"	"5"	"FALSE"	"TRUE"
"3496"	"133-49-3"	"DTXSID3044540"	"Pentachlorobenzenethiol"	"EPA_DSSTox"	"SC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl"	"SC1C(Cl)=C(Cl)C(Cl)=C(Cl)C=1Cl"	"?"	"InChI=1S/C6HCl5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H"	"LLMLGZUZTFMXSA-UHFFFAOYSA-N"	"11900.0"	"4"	"5"	"FALSE"	"TRUE"
"3497"	"100-88-9"	"DTXSID5041809"	"Cyclamic acid"	"EPA_DSSTox"	"OS(=O)(=O)NC1CCCCC1"	"OS(=O)(=O)NC1CCCCC1"	"?"	"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"	"12000.0"	"4"	"5"	"FALSE"	"TRUE"
"3498"	"143-07-7"	"DTXSID5021590"	"Dodecanoic acid"	"EPA_DSSTox"	"CCCCCCCCCCCC(O)=O"	"CCCCCCCCCCCC(O)=O"	"?"	"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)"	"POULHZVOKOAJMA-UHFFFAOYSA-N"	"12000.0"	"4"	"5"	"FALSE"	"TRUE"
"3499"	"62865-36-5"	"DTXSID0058146"	"Diclomezine"	"EPA_DSSTox"	"CC1=C(Cl)C=C(C=C1Cl)C1=NN=C(O)C=C1"	"CC1C(Cl)=CC(=CC=1Cl)C1=CC=C(O)N=N1"	"?"	"InChI=1S/C11H8Cl2N2O/c1-6-8(12)4-7(5-9(6)13)10-2-3-11(16)15-14-10/h2-5H,1H3,(H,15,16)"	"UWQMKVBQKFHLCE-UHFFFAOYSA-N"	"12000.0"	"4"	"5"	"FALSE"	"TRUE"
"3500"	"16071-86-6"	"DTXSID3020201"	"C.I. Direct Brown 95"	"EPA_DSSTox"	"[Na+].[Na+].[Cu++].OC1=CC=C(\N=N\C2=C([O-])C=CC(=C2)S([O-])(=O)=O)C([O-])=C1N=NC1=CC=C(C=C1)C1=CC=C(C=C1)N=NC1=CC(C([O-])=O)=C(O)C=C1"	"OC(=O)C1=CC(=CC=C1O)N=NC1C=CC(=CC=1)C1C=CC(=CC=1)N=NC1=C(O)C(=CC=C1O)N=NC1=CC(=CC=C1O)S(O)(=O)=O"	"[Na+].[Na+].[Cu+2]"	"InChI=1S/C31H22N6O9S/c38-26-12-9-21(15-23(26)31(42)43)34-32-19-5-1-17(2-6-19)18-3-7-20(8-4-18)33-37-29-28(40)14-11-24(30(29)41)35-36-25-16-22(47(44,45)46)10-13-27(25)39/h1-16,38-41H,(H,42,43)(H,44,45,46)"	"GFYHNSHGXNCVGD-UHFFFAOYSA-N"	"12060.0"	"4"	"5"	"FALSE"	"TRUE"
"3501"	"1137-42-4"	"DTXSID5036684"	"4-Hydroxybenzophenone"	"EPA_DSSTox"	"OC1=CC=C(C=C1)C(=O)C1=CC=CC=C1"	"OC1C=CC(=CC=1)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C13H10O2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,14H"	"NPFYZDNDJHZQKY-UHFFFAOYSA-N"	"12086.0"	"4"	"5"	"FALSE"	"TRUE"
"3502"	"540-18-1"	"DTXSID4041604"	"Pentyl butyrate"	"EPA_DSSTox"	"CCCCCOC(=O)CCC"	"CCCC(=O)OCCCCC"	"?"	"InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3"	"CFNJLPHOBMVMNS-UHFFFAOYSA-N"	"12210.0"	"4"	"5"	"FALSE"	"TRUE"
"3503"	"23424-47-7"	"DTXSID8058370"	"Carbendazim hydrochloride"	"EPA_DSSTox"	"Cl.COC(=O)NC1=NC2=C(N1)C=CC=C2"	"COC(=O)NC1NC2C=CC=CC=2N=1"	"Cl"	"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"	"12500.0"	"4"	"5"	"FALSE"	"TRUE"
"3504"	"128-42-7"	"DTXSID7047019"	"4,4'-Dinitro-2,2'-stilbenesulfonic acid"	"EPA_DSSTox"	"OS(=O)(=O)C1=CC(=CC=C1C=CC1=CC=C(C=C1S(O)(=O)=O)[N+]([O-])=O)[N+]([O-])=O"	"[O-][N+](=O)C1=CC(=C(C=C1)C=CC1=CC=C(C=C1S(O)(=O)=O)[N+]([O-])=O)S(O)(=O)=O"	"?"	"InChI=1S/C14H10N2O10S2/c17-15(18)11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(16(19)20)8-14(10)28(24,25)26/h1-8H,(H,21,22,23)(H,24,25,26)"	"UETHPMGVZHBAFB-UHFFFAOYSA-N"	"12600.0"	"4"	"5"	"FALSE"	"TRUE"
"3505"	"2421-28-5"	"DTXSID3029233"	"Benzophenonetetracarboxylic dianhydride"	"EPA_DSSTox"	"O=C(C1=CC2=C(C=C1)C(=O)OC2=O)C1=CC2=C(C=C1)C(=O)OC2=O"	"O=C(C1=CC2=C(C=C1)C(=O)OC2=O)C1=CC2=C(C=C1)C(=O)OC2=O"	"?"	"InChI=1S/C17H6O7/c18-13(7-1-3-9-11(5-7)16(21)23-14(9)19)8-2-4-10-12(6-8)17(22)24-15(10)20/h1-6H"	"VQVIHDPBMFABCQ-UHFFFAOYSA-N"	"12800.0"	"4"	"5"	"FALSE"	"TRUE"
"3506"	"105-99-7"	"DTXSID2021866"	"Dibutyl hexanedioate"	"EPA_DSSTox"	"CCCCOC(=O)CCCCC(=O)OCCCC"	"CCCCOC(=O)CCCCC(=O)OCCCC"	"?"	"InChI=1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3"	"XTJFFFGAUHQWII-UHFFFAOYSA-N"	"12900.0"	"4"	"5"	"FALSE"	"TRUE"
"3507"	"118-03-6"	"DTXSID4059465"	"1,3,6-Naphthalenetrisulfonic acid, 7-amino-"	"EPA_DSSTox"	"NC1=CC2=C(C=C(C=C2C=C1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O"	"NC1=CC2=C(C=C(C=C2C=C1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O"	"?"	"InChI=1S/C10H9NO9S3/c11-8-4-7-5(2-10(8)23(18,19)20)1-6(21(12,13)14)3-9(7)22(15,16)17/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)"	"GFPQSWFFPRQEHH-UHFFFAOYSA-N"	"13000.0"	"4"	"5"	"FALSE"	"TRUE"
"3508"	"85844-93-5"	"DTXSID60235114"	"Butanoic acid, 4-(((3-(trifluoromethyl)phenyl)sulfonyl)amino)-"	"EPA_DSSTox"	"OC(=O)CCCNS(=O)(=O)C1=CC=CC(=C1)C(F)(F)F"	"OC(=O)CCCNS(=O)(=O)C1C=C(C=CC=1)C(F)(F)F"	"?"	"InChI=1S/C11H12F3NO4S/c12-11(13,14)8-3-1-4-9(7-8)20(18,19)15-6-2-5-10(16)17/h1,3-4,7,15H,2,5-6H2,(H,16,17)"	"YMRXWPCWJDWPCO-UHFFFAOYSA-N"	"13000.0"	"4"	"5"	"FALSE"	"TRUE"
"3509"	"10143-54-1"			"Public_CrossChecked"	"OCCOCCOCCC#N"	"N#CCCOCCOCCO"	"?"	"InChI=1S/C7H13NO3/c8-2-1-4-10-6-7-11-5-3-9/h9H,1,3-7H2"	"SMPHEDZQJBZERC-UHFFFAOYSA-N"	"13400.0"	"4"	"5"	"FALSE"	"TRUE"
"3510"	"623-84-7"	"DTXSID9044827"	"Propane-1,2-diyl diacetate"	"EPA_DSSTox"	"CC(COC(C)=O)OC(C)=O"	"CC(=O)OCC(C)OC(C)=O"	"?"	"InChI=1S/C7H12O4/c1-5(11-7(3)9)4-10-6(2)8/h5H,4H2,1-3H3"	"MLHOXUWWKVQEJB-UHFFFAOYSA-N"	"13530.0"	"4"	"5"	"FALSE"	"TRUE"
"3511"	"532-02-5"	"DTXSID4041442"	"Sodium 2-naphthalenesulfonate"	"EPA_DSSTox"	"[Na+].[O-]S(=O)(=O)C1=CC2=C(C=CC=C2)C=C1"	"OS(=O)(=O)C1C=C2C=CC=CC2=CC=1"	"[Na+]"	"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"	"13900.0"	"4"	"5"	"FALSE"	"TRUE"
"3512"	"77-99-6"	"DTXSID2026448"	"2-Ethyl-2-(hydroxymethyl)-1,3-propanediol"	"EPA_DSSTox"	"CCC(CO)(CO)CO"	"CCC(CO)(CO)CO"	"?"	"InChI=1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3"	"ZJCCRDAZUWHFQH-UHFFFAOYSA-N"	"14100.0"	"4"	"5"	"FALSE"	"TRUE"
"3513"	"119-79-9"	"DTXSID6059497"	"2-Naphthalenesulfonic acid, 5-amino-"	"EPA_DSSTox"	"NC1=CC=CC2=CC(=CC=C12)S(O)(=O)=O"	"NC1=CC=CC2=CC(=CC=C21)S(O)(=O)=O"	"?"	"InChI=1S/C10H9NO3S/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10/h1-6H,11H2,(H,12,13,14)"	"UWPJYQYRSWYIGZ-UHFFFAOYSA-N"	"14200.0"	"4"	"5"	"FALSE"	"TRUE"
"3514"	"3804-89-5"	"DTXSID7046885"	"Isoniazid sodium methanesulfonate"	"EPA_DSSTox"	"[Na+].[O-]S(=O)(=O)CNNC(=O)C1=CC=NC=C1"	"OS(=O)(=O)CNNC(=O)C1=CC=NC=C1"	"[Na+]"	"InChI=1S/C7H9N3O4S/c11-7(6-1-3-8-4-2-6)10-9-5-15(12,13)14/h1-4,9H,5H2,(H,10,11)(H,12,13,14)"	"GQZQCROBCYNTMU-UHFFFAOYSA-N"	"14400.0"	"4"	"5"	"FALSE"	"TRUE"
"3515"	"2432-99-7"	"DTXSID5020077"	"11-Aminoundecanoic acid"	"EPA_DSSTox"	"NCCCCCCCCCCC(O)=O"	"NCCCCCCCCCCC(O)=O"	"?"	"InChI=1S/C11H23NO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10,12H2,(H,13,14)"	"GUOSQNAUYHMCRU-UHFFFAOYSA-N"	"14700.0"	"4"	"5"	"FALSE"	"TRUE"
"3516"	"18699-02-0"	"DTXSID0020020"	"4-Acetylaminophenylacetic acid"	"EPA_DSSTox"	"CC(=O)NC1=CC=C(CC(O)=O)C=C1"	"CC(=O)NC1C=CC(CC(O)=O)=CC=1"	"?"	"InChI=1S/C10H11NO3/c1-7(12)11-9-4-2-8(3-5-9)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)"	"MROJXXOCABQVEF-UHFFFAOYSA-N"	"14800.0"	"4"	"5"	"FALSE"	"TRUE"
"3517"	"1218-34-4"	"DTXSID10883669"	"L-Tryptophan, N-acetyl-"	"EPA_DSSTox"	"CC(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O"	"CC(=O)NC(CC1=CNC2=CC=CC=C21)C(O)=O"	"?"	"InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)"	"DZTHIGRZJZPRDV-UHFFFAOYSA-N"	"15000.0"	"4"	"5"	"FALSE"	"TRUE"
"3518"	"29104-30-1"	"DTXSID8041660"	"Benzomate"	"EPA_DSSTox"	"CCO\N=C(/OC(=O)C1=CC=CC=C1)C1=C(OC)C(Cl)=CC=C1OC"	"CCON=C(OC(=O)C1C=CC=CC=1)C1C(OC)=C(Cl)C=CC=1OC"	"?"	"InChI=1S/C18H18ClNO5/c1-4-24-20-17(25-18(21)12-8-6-5-7-9-12)15-14(22-2)11-10-13(19)16(15)23-3/h5-11H,4H2,1-3H3"	"BZMIHNKNQJJVRO-UHFFFAOYSA-N"	"15000.0"	"4"	"5"	"FALSE"	"TRUE"
"3519"	"51934-76-0"			"Public_CrossChecked"	"CC(CNC(=O)c1c(I)cc(I)c(N=C(C)N2CCOCC2)c1I)C(O)=O"	"CC(=NC1=C(I)C=C(I)C(=C1I)C(=O)NCC(C)C(O)=O)N1CCOCC1"	"?"	"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"	"15000.0"	"4"	"5"	"FALSE"	"TRUE"
"3520"	"98-08-8"	"DTXSID2024589"	"Benzotrifluoride"	"EPA_DSSTox"	"FC(F)(F)C1=CC=CC=C1"	"FC(F)(F)C1C=CC=CC=1"	"?"	"InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H"	"GETTZEONDQJALK-UHFFFAOYSA-N"	"15000.0"	"4"	"5"	"FALSE"	"TRUE"
"3521"	"29091-21-2"	"DTXSID1034210"	"Prodiamine"	"EPA_DSSTox"	"CCCN(CCC)C1=C(C(N)=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O"	"CCCN(CCC)C1=C(C=C(C(N)=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O"	"?"	"InChI=1S/C13H17F3N4O4/c1-3-5-18(6-4-2)11-9(19(21)22)7-8(13(14,15)16)10(17)12(11)20(23)24/h7H,3-6,17H2,1-2H3"	"RSVPPPHXAASNOL-UHFFFAOYSA-N"	"15380.0"	"4"	"5"	"FALSE"	"TRUE"
"3522"	"3605-31-0"	"DTXSID8063098"	"1H-Indene, 6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-"	"EPA_DSSTox"	"CC(C)(C)C1=CC2=C(CCC2(C)C)C=C1"	"CC(C)(C)C1=CC=C2CCC(C)(C)C2=C1"	"?"	"InChI=1S/C15H22/c1-14(2,3)12-7-6-11-8-9-15(4,5)13(11)10-12/h6-7,10H,8-9H2,1-5H3"	"ZGPWHILODVHWKJ-UHFFFAOYSA-N"	"15500.0"	"4"	"5"	"FALSE"	"TRUE"
"3523"	"144-83-2"	"DTXSID3026067"	"Sulfapyridine"	"EPA_DSSTox"	"NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1"	"NC1C=CC(=CC=1)S(=O)(=O)NC1=CC=CC=N1"	"?"	"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"	"15800.0"	"4"	"5"	"FALSE"	"TRUE"
"3524"	"11120-29-9"			"Public_CrossChecked"	"Clc1cc(Cl)c(cc1Cl)-c1c(Cl)c(Cl)c(c(Cl)c1Cl)-c1c(Cl)cc(Cl)c(Cl)c1Cl"	"ClC1C=C(Cl)C(C2=C(Cl)C(Cl)=C(C3C=C(Cl)C(Cl)=CC=3Cl)C(Cl)=C2Cl)=C(Cl)C=1Cl"	"?"	"InChI=1S/C18H3Cl11/c19-5-2-7(21)6(20)1-4(5)10-14(25)17(28)12(18(29)15(10)26)11-8(22)3-9(23)13(24)16(11)27/h1-3H"	"DCWGVTFYEARJCZ-UHFFFAOYSA-N"	"16000.0"	"4"	"5"	"FALSE"	"TRUE"
"3525"	"5165-97-9"	"DTXSID2027591"	"2-Acrylamido-2-methylpropanesulphonate sodium salt"	"EPA_DSSTox"	"[Na+].CC(C)(CS([O-])(=O)=O)NC(=O)C=C"	"CC(C)(CS(O)(=O)=O)NC(=O)C=C"	"[Na+]"	"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"	"16000.0"	"4"	"5"	"FALSE"	"TRUE"
"3526"	"849-99-0"	"DTXSID8061212"	"Dicyclohexyl adipate"	"EPA_DSSTox"	"O=C(CCCCC(=O)OC1CCCCC1)OC1CCCCC1"	"O=C(CCCCC(=O)OC1CCCCC1)OC1CCCCC1"	"?"	"InChI=1S/C18H30O4/c19-17(21-15-9-3-1-4-10-15)13-7-8-14-18(20)22-16-11-5-2-6-12-16/h15-16H,1-14H2"	"UTGUHFOMNVLJSL-UHFFFAOYSA-N"	"16000.0"	"4"	"5"	"FALSE"	"TRUE"
"3527"	"10143-20-1"			"Public_CrossChecked"	"CC(C)CC(O)CC(CC(C)C)CC(C)C"	"CC(C)CC(O)CC(CC(C)C)CC(C)C"	"?"	"InChI=1S/C15H32O/c1-11(2)7-14(8-12(3)4)10-15(16)9-13(5)6/h11-16H,7-10H2,1-6H3"	"OTFAOIKIARLOEM-UHFFFAOYSA-N"	"16300.0"	"4"	"5"	"FALSE"	"TRUE"
"3528"	"72490-01-8"	"DTXSID7032393"	"Fenoxycarb"	"EPA_DSSTox"	"CCOC(=O)NCCOC1=CC=C(OC2=CC=CC=C2)C=C1"	"CCOC(=O)NCCOC1C=CC(=CC=1)OC1C=CC=CC=1"	"?"	"InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)"	"HJUFTIJOISQSKQ-UHFFFAOYSA-N"	"16800.0"	"4"	"5"	"FALSE"	"TRUE"
"3529"	"138-14-7"	"DTXSID6037649"	"Deferoxamine mesylate"	"EPA_DSSTox"	"CS(O)(=O)=O.CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN"	"CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN"	"CS(=O)(=O)O"	"InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)"	"UBQYURCVBFRUQT-UHFFFAOYSA-N"	"17300.0"	"4"	"5"	"FALSE"	"TRUE"
"3530"	"6338-70-1"	"DTXSID60884262"	"3-Thiophenamine, tetrahydro-, 1,1-dioxide"	"EPA_DSSTox"	"NC1CCS(=O)(=O)C1"	"NC1CS(=O)(=O)CC1"	"?"	"InChI=1S/C4H9NO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3,5H2"	"OVKIDXBGVUQFFC-UHFFFAOYSA-N"	"17900.0"	"4"	"5"	"FALSE"	"TRUE"
"3531"	"2971-90-6"	"DTXSID8041793"	"Clopidol"	"EPA_DSSTox"	"CC1=NC(C)=C(Cl)C(O)=C1Cl"	"CC1=NC(C)=C(Cl)C(O)=C1Cl"	"?"	"InChI=1S/C7H7Cl2NO/c1-3-5(8)7(11)6(9)4(2)10-3/h1-2H3,(H,10,11)"	"ZDPIZLCVJAAHHR-UHFFFAOYSA-N"	"18000.0"	"4"	"5"	"FALSE"	"TRUE"
"3532"	"3338-24-7"	"DTXSID8027535"	"Phosphorodithioic acid, O,O-diethyl ester, sodium salt"	"EPA_DSSTox"	"[Na+].CCOP([S-])(=S)OCC"	"CCOP(S)(=S)OCC"	"[Na+]"	"InChI=1S/C4H11O2PS2/c1-3-5-7(8,9)6-4-2/h3-4H2,1-2H3,(H,8,9)"	"IRDLUHRVLVEUHA-UHFFFAOYSA-N"	"18100.0"	"4"	"5"	"FALSE"	"TRUE"
"3533"	"51356-14-0"	"DTXSID40199361"	"Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-6-phenyl-3(2H)-pyridazinone"	"EPA_DSSTox"	"COP(=S)(OC)SCN1N=C(C=CC1=O)C1=CC=CC=C1"	"COP(=S)(OC)SCN1N=C(C=CC1=O)C1C=CC=CC=1"	"?"	"InChI=1S/C13H15N2O3PS2/c1-17-19(20,18-2)21-10-15-13(16)9-8-12(14-15)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3"	"LAQIMLKRFQBCJD-UHFFFAOYSA-N"	"18750.0"	"4"	"5"	"FALSE"	"TRUE"
"3534"	"115-77-5"	"DTXSID2026943"	"Pentaerythritol"	"EPA_DSSTox"	"OCC(CO)(CO)CO"	"OCC(CO)(CO)CO"	"?"	"InChI=1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2"	"WXZMFSXDPGVJKK-UHFFFAOYSA-N"	"19500.0"	"4"	"5"	"FALSE"	"TRUE"
"3535"	"73926-94-0"			"Public_CrossChecked"	"[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(Cl)ccc1C=Cc1ccc(cc1S([O-])(=O)=O)-n1nc2ccc3c(cccc3c2n1)S([O-])(=O)=O"	"OS(=O)(=O)C1C=C(Cl)C=CC=1C=CC1C=CC(=CC=1S(O)(=O)=O)N1N=C2C=CC3C(=CC=CC=3S(O)(=O)=O)C2=N1"	"[Na+].[Na+].[Na+]"	"InChI=1S/C24H16ClN3O9S3/c25-16-8-6-14(22(12-16)39(32,33)34)4-5-15-7-9-17(13-23(15)40(35,36)37)28-26-20-11-10-18-19(24(20)27-28)2-1-3-21(18)38(29,30)31/h1-13H,(H,29,30,31)(H,32,33,34)(H,35,36,37)"	"AMMVQETUPXPHPE-UHFFFAOYSA-N"	"19900.0"	"4"	"5"	"FALSE"	"TRUE"
"3536"	"2761-24-2"	"DTXSID1042491"	"Triethoxypentylsilane"	"EPA_DSSTox"	"CCCCC[Si](OCC)(OCC)OCC"	"CCCCC[Si](OCC)(OCC)OCC"	"?"	"InChI=1S/C11H26O3Si/c1-5-9-10-11-15(12-6-2,13-7-3)14-8-4/h5-11H2,1-4H3"	"FHVAUDREWWXPRW-UHFFFAOYSA-N"	"20000.0"	"4"	"5"	"FALSE"	"TRUE"
"3537"	"6620-60-6"	"DTXSID7023516"	"Proglumide"	"EPA_DSSTox"	"CCCN(CCC)C(=O)C(CCC(O)=O)NC(=O)C1=CC=CC=C1"	"CCCN(CCC)C(=O)C(CCC(O)=O)NC(=O)C1C=CC=CC=1"	"?"	"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"	"20000.0"	"4"	"5"	"FALSE"	"TRUE"
"3538"	"27178-16-1"			"Public_CrossChecked"	"CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C"	"CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C"	"?"	"InChI=1S/C26H50O4/c1-23(2)17-11-7-5-9-15-21-29-25(27)19-13-14-20-26(28)30-22-16-10-6-8-12-18-24(3)4/h23-24H,5-22H2,1-4H3"	"YKGYQYOQRGPFTO-UHFFFAOYSA-N"	"20500.0"	"4"	"5"	"FALSE"	"TRUE"
"3539"	"7542-37-2"	"DTXSID8023424"	"Paromomycin"	"EPA_DSSTox"	"NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O"	"NCC1OC(OC2C(CO)OC(OC3C(OC4OC(CO)C(O)C(O)C4N)C(N)CC(N)C3O)C2O)C(N)C(O)C1O"	"?"	"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"	"21620.0"	"4"	"5"	"FALSE"	"TRUE"
"3540"	"112-54-9"	"DTXSID6021589"	"Dodecanal"	"EPA_DSSTox"	"CCCCCCCCCCCC=O"	"CCCCCCCCCCCC=O"	"?"	"InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3"	"HFJRKMMYBMWEAD-UHFFFAOYSA-N"	"23000.0"	"4"	"5"	"FALSE"	"TRUE"
"3541"	"2530-85-0"	"DTXSID3029237"	"3-(Trimethoxysilyl)propyl methacrylate"	"EPA_DSSTox"	"CO[Si](CCCOC(=O)C(C)=C)(OC)OC"	"CC(=C)C(=O)OCCC[Si](OC)(OC)OC"	"?"	"InChI=1S/C10H20O5Si/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5/h1,6-8H2,2-5H3"	"XDLMVUHYZWKMMD-UHFFFAOYSA-N"	"23500.0"	"4"	"5"	"FALSE"	"TRUE"
"3542"	"88402-43-1"			"Public_CrossChecked"	"Clc1ccc(cc1)N1C(=O)C2=C(CCCC2)C1=O"	"O=C1C2CCCCC=2C(=O)N1C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C14H12ClNO2/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(16)18/h5-8H,1-4H2"	"MJQBFSWPMMHVSM-UHFFFAOYSA-N"	"24000.0"	"4"	"5"	"FALSE"	"TRUE"
"3543"	"10140-81-5"			"Public_CrossChecked"	"CCCCOC(=O)CC(C(=O)OCCCC)P(=O)(OCCCC)OCCCC"	"CCCCOC(=O)CC(C(=O)OCCCC)P(=O)(OCCCC)OCCCC"	"?"	"InChI=1S/C20H39O7P/c1-5-9-13-24-19(21)17-18(20(22)25-14-10-6-2)28(23,26-15-11-7-3)27-16-12-8-4/h18H,5-17H2,1-4H3"	"GGOVRPUILUBRCW-UHFFFAOYSA-N"	"25000.0"	"4"	"5"	"FALSE"	"TRUE"
"3544"	"50-99-7"	"DTXSID7022910"	"D-Glucose"	"EPA_DSSTox"	"OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O"	"OCC1OC(O)C(O)C(O)C1O"	"?"	"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2"	"WQZGKKKJIJFFOK-UHFFFAOYSA-N"	"25800.0"	"4"	"5"	"FALSE"	"TRUE"
"3545"	"12627-38-2"	"DTXSID10155131"	"Triton X-301"	"EPA_DSSTox"	"[Na+].CC(C)(C)CC(C)(C)C1=CC=C(OCCOS([O-])(=O)=O)C=C1"	"CC(C)(C)CC(C)(C)C1C=CC(=CC=1)OCCOS(O)(=O)=O"	"[Na+]"	"InChI=1S/C16H26O5S/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)20-10-11-21-22(17,18)19/h6-9H,10-12H2,1-5H3,(H,17,18,19)"	"PQOBBMHTPLNVQU-UHFFFAOYSA-N"	"27000.0"	"4"	"5"	"FALSE"	"TRUE"
"3546"	"585-86-4"	"DTXSID9044247"	"Lactitol"	"EPA_DSSTox"	"OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO"	"OC(CO)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)CO"	"?"	"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"	"30000.0"	"4"	"5"	"FALSE"	"TRUE"
"3547"	"112-58-3"	"DTXSID8059421"	"Hexane, 1,1'-oxybis-"	"EPA_DSSTox"	"CCCCCCOCCCCCC"	"CCCCCCOCCCCCC"	"?"	"InChI=1S/C12H26O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3"	"BPIUIOXAFBGMNB-UHFFFAOYSA-N"	"30900.0"	"4"	"5"	"FALSE"	"TRUE"
"3548"	"27253-26-5"			"Public_CrossChecked"	"CC(C)CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC(C)C"	"CC(C)CCCCCCCCCCOC(=O)C1C=CC=CC=1C(=O)OCCCCCCCCCCC(C)C"	"?"	"InChI=1S/C34H58O4/c1-29(2)23-17-13-9-5-7-11-15-21-27-37-33(35)31-25-19-20-26-32(31)34(36)38-28-22-16-12-8-6-10-14-18-24-30(3)4/h19-20,25-26,29-30H,5-18,21-24,27-28H2,1-4H3"	"BCSGAWBQJHXXSE-UHFFFAOYSA-N"	"31350.0"	"4"	"5"	"FALSE"	"TRUE"
"3549"	"7786-17-6"	"DTXSID9027657"	"Phenol, 2,2'-methylenebis[4-methyl-6-nonyl-"	"EPA_DSSTox"	"CCCCCCCCCC1=CC(C)=CC(CC2=C(O)C(CCCCCCCCC)=CC(C)=C2)=C1O"	"CC1C=C(CCCCCCCCC)C(O)=C(CC2C=C(C)C=C(CCCCCCCCC)C=2O)C=1"	"?"	"InChI=1S/C33H52O2/c1-5-7-9-11-13-15-17-19-28-21-26(3)23-30(32(28)34)25-31-24-27(4)22-29(33(31)35)20-18-16-14-12-10-8-6-2/h21-24,34-35H,5-20,25H2,1-4H3"	"XQESJWNDTICJHW-UHFFFAOYSA-N"	"33000.0"	"4"	"5"	"FALSE"	"TRUE"
"3550"	"53306-53-9"			"Public_CrossChecked"	"CCCC(C)CCOC(=O)c1ccccc1C(=O)OCCC(C)CCC"	"CC(CCC)CCOC(=O)C1C=CC=CC=1C(=O)OCCC(C)CCC"	"?"	"InChI=1S/C22H34O4/c1-5-9-17(3)13-15-25-21(23)19-11-7-8-12-20(19)22(24)26-16-14-18(4)10-6-2/h7-8,11-12,17-18H,5-6,9-10,13-16H2,1-4H3"	"PLVCZTJOXIYQSA-UHFFFAOYSA-N"	"35500.0"	"4"	"5"	"FALSE"	"TRUE"
"3551"	"1949-45-7"	"DTXSID6023311"	"Metrizoic acid"	"EPA_DSSTox"	"CN(C(C)=O)C1=C(I)C(NC(C)=O)=C(I)C(C(O)=O)=C1I"	"CC(=O)N(C)C1C(I)=C(C(O)=O)C(I)=C(NC(C)=O)C=1I"	"?"	"InChI=1S/C12H11I3N2O4/c1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19/h1-3H3,(H,16,18)(H,20,21)"	"GGGDNPWHMNJRFN-UHFFFAOYSA-N"	"38100.0"	"4"	"5"	"FALSE"	"TRUE"
"3552"	"76-13-1"	"DTXSID6021377"	"1,1,2-Trichloro-1,2,2-trifluoroethane"	"EPA_DSSTox"	"FC(F)(Cl)C(F)(Cl)Cl"	"FC(F)(Cl)C(F)(Cl)Cl"	"?"	"InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8"	"AJDIZQLSFPQPEY-UHFFFAOYSA-N"	"43000.0"	"4"	"5"	"FALSE"	"TRUE"
"3553"	"142-18-7"	"DTXSID5041275"	"1-Monolaurin"	"EPA_DSSTox"	"CCCCCCCCCCCC(=O)OCC(O)CO"	"CCCCCCCCCCCC(=O)OCC(O)CO"	"?"	"InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3"	"ARIWANIATODDMH-UHFFFAOYSA-N"	"52866.0000000001"	"4"	"5"	"FALSE"	"TRUE"
"3554"	"63449-47-8"	"DTXSID6069822"	"Silicic acid (H4SiO4), tetrakis(1,1-dimethylpentyl) ester"	"EPA_DSSTox"	"CCCCC(C)(C)O[Si](OC(C)(C)CCCC)(OC(C)(C)CCCC)OC(C)(C)CCCC"	"CC(C)(CCCC)O[Si](OC(C)(C)CCCC)(OC(C)(C)CCCC)OC(C)(C)CCCC"	"?"	"InChI=1S/C28H60O4Si/c1-13-17-21-25(5,6)29-33(30-26(7,8)22-18-14-2,31-27(9,10)23-19-15-3)32-28(11,12)24-20-16-4/h13-24H2,1-12H3"	"NLIBZFFYKXCPHD-UHFFFAOYSA-N"	"60300.0"	"4"	"5"	"FALSE"	"TRUE"
"3555"	"141-57-1"	"DTXSID80861813"	"Trichloropropylsilane"	"EPA_DSSTox"	"CCC[Si](Cl)(Cl)Cl"	"CCC[Si](Cl)(Cl)Cl"	"?"	"InChI=1S/C3H7Cl3Si/c1-2-3-7(4,5)6/h2-3H2,1H3"	"DOEHJNBEOVLHGL-UHFFFAOYSA-N"				"FALSE"	"FALSE"
"3556"	"2653-16-9"	"DTXSID30465820"	"2-chloro-N-methyl-N-(4-nitrophenyl)acetamide"	"EPA_DSSTox"	"CN(C(=O)CCl)C1=CC=C(C=C1)[N+]([O-])=O"	"CN(C1C=CC(=CC=1)[N+]([O-])=O)C(=O)CCl"	"?"	"InChI=1S/C9H9ClN2O3/c1-11(9(13)6-10)7-2-4-8(5-3-7)12(14)15/h2-5H,6H2,1H3"	"JAWLWNKATJAODJ-UHFFFAOYSA-N"				"FALSE"	"FALSE"
"3557"	"3508-98-3"	"DTXSID2052027"	"2-Phenylhexanenitrile"	"EPA_DSSTox"	"CCCCC(C#N)C1=CC=CC=C1"	"CCCCC(C#N)C1C=CC=CC=1"	"?"	"InChI=1S/C12H15N/c1-2-3-7-12(10-13)11-8-5-4-6-9-11/h4-6,8-9,12H,2-3,7H2,1H3"	"OTERUZJEJFMEEB-UHFFFAOYSA-N"				"FALSE"	"NA"
"3558"	"5510-99-6"	"DTXSID0044440"	"2,6-Di(butan-2-yl)phenol"	"EPA_DSSTox"	"CCC(C)C1=CC=CC(C(C)CC)=C1O"	"CC(CC)C1=CC=CC(C(C)CC)=C1O"	"?"	"InChI=1S/C14H22O/c1-5-10(3)12-8-7-9-13(14(12)15)11(4)6-2/h7-11,15H,5-6H2,1-4H3"	"FHTGJZOULSYEOB-UHFFFAOYSA-N"				"FALSE"	"FALSE"
"3559"	"2475-45-8"	"DTXSID7020188"	"C.I. Disperse Blue 1"	"EPA_DSSTox"	"NC1=CC=C(N)C2=C1C(=O)C1=C(N)C=CC(N)=C1C2=O"	"NC1=CC=C(N)C2=C1C(=O)C1=C(C2=O)C(N)=CC=C1N"	"?"	"InChI=1S/C14H12N4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H,15-18H2"	"JSFUMBWFPQSADC-UHFFFAOYSA-N"				"FALSE"	"NA"
"3560"	"39255-32-8"	"DTXSID7047198"	"Ethyl 2-methylpentanoate"	"EPA_DSSTox"	"CCCC(C)C(=O)OCC"	"CCOC(=O)C(C)CCC"	"?"	"InChI=1S/C8H16O2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3"	"HZPKNSYIDSNZKW-UHFFFAOYSA-N"				"NA"	"NA"
"3561"	"108-74-7"	"DTXSID6051560"	"Hexahydro-1,3,5-trimethyl-1,3,5-triazine"	"EPA_DSSTox"	"CN1CN(C)CN(C)C1"	"CN1CN(C)CN(C)C1"	"?"	"InChI=1S/C6H15N3/c1-7-4-8(2)6-9(3)5-7/h4-6H2,1-3H3"	"DPMZXMBOYHBELT-UHFFFAOYSA-N"			"4"	"FALSE"	"FALSE"
"3562"	"1307233-94-8"	"DTXSID60680640"	"Ethyl N-[2-(chloromethyl)-1-methyl-1H-benzimidazole-5-carbonyl]-N-pyridin-2-yl-beta-alaninate"	"EPA_DSSTox"	"CCOC(=O)CCN(C(=O)C1=CC2=C(C=C1)N(C)C(CCl)=N2)C1=CC=CC=N1"	"CN1C(CCl)=NC2=CC(=CC=C12)C(=O)N(CCC(=O)OCC)C1=CC=CC=N1"	"?"	"InChI=1S/C20H21ClN4O3/c1-3-28-19(26)9-11-25(17-6-4-5-10-22-17)20(27)14-7-8-16-15(12-14)23-18(13-21)24(16)2/h4-8,10,12H,3,9,11,13H2,1-2H3"	"ATDFBDBECQOWSX-UHFFFAOYSA-N"			"4"	"FALSE"	"FALSE"
"3563"	"1869-24-5"	"DTXSID80380751"	"2-(Trifluoromethyl)benzenesulfonamide"	"EPA_DSSTox"	"NS(=O)(=O)C1=CC=CC=C1C(F)(F)F"	"NS(=O)(=O)C1=CC=CC=C1C(F)(F)F"	"?"	"InChI=1S/C7H6F3NO2S/c8-7(9,10)5-3-1-2-4-6(5)14(11,12)13/h1-4H,(H2,11,12,13)"	"AFFPZJFLSDVZBV-UHFFFAOYSA-N"			"4"	"FALSE"	"FALSE"
"3564"	"23328-71-4"	"DTXSID10177878"	"Stearoxypropyltrimonium chloride"	"EPA_DSSTox"	"[Cl-].CCCCCCCCCCCCCCCCCCOCCC[N+](C)(C)C"	"CCCCCCCCCCCCCCCCCCOCCC[N+](C)(C)C"	"[Cl-]"	"InChI=1S/C24H52NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-24-21-22-25(2,3)4/h5-24H2,1-4H3/q+1"	"OWMLFDGBZCHKOL-UHFFFAOYSA-N"			"4"	"FALSE"	"FALSE"
"3565"	"34432-92-3"	"DTXSID60865718"	"Benzenamine, N-ethyl-N-[2-[1-(2-methylpropoxy)ethoxy]ethyl]-4-(2-phenyldiazenyl)-"	"EPA_DSSTox"	"CCN(CCOC(C)OCC(C)C)C1=CC=C(C=C1)N=NC1=CC=CC=C1"	"CC(C)COC(C)OCCN(CC)C1=CC=C(C=C1)N=NC1=CC=CC=C1"	"?"	"InChI=1S/C22H31N3O2/c1-5-25(15-16-26-19(4)27-17-18(2)3)22-13-11-21(12-14-22)24-23-20-9-7-6-8-10-20/h6-14,18-19H,5,15-17H2,1-4H3"	"BATVZJPOLFSGTD-UHFFFAOYSA-N"			"4"	"FALSE"	"FALSE"
"3566"	"36177-92-1"	"DTXSID7044926"	"N-Butyl-2,2,6,6-tetramethylpiperidin-4-amine"	"EPA_DSSTox"	"CCCCNC1CC(C)(C)NC(C)(C)C1"	"CCCCNC1CC(C)(C)NC(C)(C)C1"	"?"	"InChI=1S/C13H28N2/c1-6-7-8-14-11-9-12(2,3)15-13(4,5)10-11/h11,14-15H,6-10H2,1-5H3"	"FDAKZQLBIFPGSV-UHFFFAOYSA-N"			"4"	"FALSE"	"FALSE"
"3567"	"67989-88-2"	"DTXSID5049609"	"Ethylenediaminetetraacetic acid, diammonium copper salt"	"EPA_DSSTox"	"[NH4+].[NH4+].[Cu++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O"	"OC(=O)CN(CC(O)=O)CCN(CC(O)=O)CC(O)=O"	"[Cu+2].[NH4+].[NH4+]"	"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"			"4"	"FALSE"	"FALSE"
"3568"	"74462-02-5"	"DTXSID10549339"	"4,4'-(2-Ethylhexane-1,1-diyl)diphenol"	"EPA_DSSTox"	"CCCCC(CC)C(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1"	"CCC(CCCC)C(C1C=CC(O)=CC=1)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C20H26O2/c1-3-5-6-15(4-2)20(16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h7-15,20-22H,3-6H2,1-2H3"	"XXHIPRDUAVCXHW-UHFFFAOYSA-N"			"4"	"FALSE"	"FALSE"
"3569"	"87855-59-2"	"DTXSID70888690"	"Acetamide, N,N'-(ethenylmethylsilylene)bis[N-ethyl-"	"EPA_DSSTox"	"CCN(C(C)=O)[Si](C)(C=C)N(CC)C(C)=O"	"C[Si](C=C)(N(CC)C(C)=O)N(CC)C(C)=O"	"?"	"InChI=1S/C11H22N2O2Si/c1-7-12(10(4)14)16(6,9-3)13(8-2)11(5)15/h9H,3,7-8H2,1-2,4-6H3"	"VMNLXFJTVKFDIM-UHFFFAOYSA-N"			"4"	"FALSE"	"FALSE"
"3570"	"106-70-7"	"DTXSID0047616"	"Methyl hexanoate"	"EPA_DSSTox"	"CCCCCC(=O)OC"	"CCCCCC(=O)OC"	"?"	"InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3"	"NUKZAGXMHTUAFE-UHFFFAOYSA-N"			"5"	"FALSE"	"TRUE"
"3571"	"1119-40-0"	"DTXSID3025122"	"Dimethyl glutarate"	"EPA_DSSTox"	"COC(=O)CCCC(=O)OC"	"COC(=O)CCCC(=O)OC"	"?"	"InChI=1S/C7H12O4/c1-10-6(8)4-3-5-7(9)11-2/h3-5H2,1-2H3"	"XTDYIOOONNVFMA-UHFFFAOYSA-N"			"5"	"FALSE"	"TRUE"
"3572"	"126833-17-8"	"DTXSID3032549"	"Fenhexamid"	"EPA_DSSTox"	"CC1(CCCCC1)C(=O)NC1=C(Cl)C(Cl)=C(O)C=C1"	"CC1(CCCCC1)C(=O)NC1C=CC(O)=C(Cl)C=1Cl"	"?"	"InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)"	"VDLGAVXLJYLFDH-UHFFFAOYSA-N"			"5"	"FALSE"	"TRUE"
"3573"	"141-10-6"	"DTXSID7029168"	"3,5,9-Undecatrien-2-one, 6,10-dimethyl-"	"EPA_DSSTox"	"CC(C)=CCCC(C)=CC=CC(C)=O"	"CC(C)=CCCC(C)=CC=CC(C)=O"	"?"	"InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3"	"JXJIQCXXJGRKRJ-UHFFFAOYSA-N"			"5"	"FALSE"	"TRUE"
"3574"	"177406-68-7"	"DTXSID9058232"	"Benthiavalicarb-isopropyl"	"EPA_DSSTox"	"CC(C)OC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C1=NC2=C(S1)C=C(F)C=C2"	"CC(NC(=O)C(NC(=O)OC(C)C)C(C)C)C1=NC2C=CC(F)=CC=2S1"	"?"	"InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)"	"USRKFGIXLGKMKU-UHFFFAOYSA-N"			"5"	"FALSE"	"TRUE"
"3575"	"25155-25-3"	"DTXSID7024611"	"Bis(t-butyl dioxyisopropyl)benzene"	"EPA_DSSTox"	"CC(C)(C)OOC(C)(C)C1=CC=C(C=C1)C(C)(C)OOC(C)(C)C"	"CC(C)(C)OOC(C)(C)C1C=CC(=CC=1)C(C)(C)OOC(C)(C)C"	"?"	"InChI=1S/C20H34O4/c1-17(2,3)21-23-19(7,8)15-11-13-16(14-12-15)20(9,10)24-22-18(4,5)6/h11-14H,1-10H3"	"GWQOYRSARAWVTC-UHFFFAOYSA-N"			"5"	"FALSE"	"TRUE"
"3576"	"3277-26-7"	"DTXSID3052010"	"1,1,3,3-Tetramethyldisiloxane"	"EPA_DSSTox"	"C[SiH](C)O[SiH](C)C"	"C[SiH](C)O[SiH](C)C"	"?"	"InChI=1S/C4H14OSi2/c1-6(2)5-7(3)4/h6-7H,1-4H3"	"NVYQDQZEMGUESH-UHFFFAOYSA-N"			"5"	"FALSE"	"TRUE"
"3577"	"51410-72-1"	"DTXSID2044682"	"N,N,N-Trimethyl-3-[(2-methylacryloyl)amino]propan-1-aminium chloride"	"EPA_DSSTox"	"[Cl-].CC(=C)C(=O)NCCC[N+](C)(C)C"	"CC(=C)C(=O)NCCC[N+](C)(C)C"	"[Cl-]"	"InChI=1S/C10H20N2O/c1-9(2)10(13)11-7-6-8-12(3,4)5/h1,6-8H2,2-5H3/p+1"	"VZTGWJFIMGVKSN-UHFFFAOYSA-O"			"5"	"FALSE"	"TRUE"
"3578"	"6358-31-2"	"DTXSID7025920"	"C.I. Pigment Yellow 74"	"EPA_DSSTox"	"COC1=CC=CC=C1NC(=O)C(N=NC1=CC=C(C=C1OC)[N+]([O-])=O)C(C)=O"	"CC(=O)C(N=NC1=CC=C(C=C1OC)[N+]([O-])=O)C(=O)NC1=CC=CC=C1OC"	"?"	"InChI=1S/C18H18N4O6/c1-11(23)17(18(24)19-13-6-4-5-7-15(13)27-2)21-20-14-9-8-12(22(25)26)10-16(14)28-3/h4-10,17H,1-3H3,(H,19,24)"	"ZTISORAUJJGACZ-UHFFFAOYSA-N"			"5"	"FALSE"	"TRUE"
"3579"	"693-36-7"	"DTXSID3027299"	"Distearyl thiodipropionate"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCCCC"	"CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCCCC"	"?"	"InChI=1S/C42H82O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-45-41(43)35-39-47-40-36-42(44)46-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3"	"PWWSSIYVTQUJQQ-UHFFFAOYSA-N"			"5"	"FALSE"	"TRUE"
"3580"	"79-94-7"	"DTXSID1026081"	"3,3',5,5'-Tetrabromobisphenol A"	"EPA_DSSTox"	"CC(C)(C1=CC(Br)=C(O)C(Br)=C1)C1=CC(Br)=C(O)C(Br)=C1"	"CC(C)(C1=CC(Br)=C(O)C(Br)=C1)C1=CC(Br)=C(O)C(Br)=C1"	"?"	"InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3"	"VEORPZCZECFIRK-UHFFFAOYSA-N"			"5"	"FALSE"	"TRUE"
"3581"	"840-65-3"	"DTXSID6029202"	"Dimethyl 2,6-naphthalenedicarboxylate"	"EPA_DSSTox"	"COC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(=O)OC"	"COC(=O)C1C=C2C=CC(=CC2=CC=1)C(=O)OC"	"?"	"InChI=1S/C14H12O4/c1-17-13(15)11-5-3-10-8-12(14(16)18-2)6-4-9(10)7-11/h3-8H,1-2H3"	"GYUVMLBYMPKZAZ-UHFFFAOYSA-N"			"5"	"FALSE"	"TRUE"
"3582"	"2032-59-9"	"DTXSID7022172"	"Aminocarb"	"EPA_DSSTox"	"CNC(=O)OC1=CC(C)=C(C=C1)N(C)C"	"CC1C=C(C=CC=1N(C)C)OC(=O)NC"	"?"	"InChI=1S/C11H16N2O2/c1-8-7-9(15-11(14)12-2)5-6-10(8)13(3)4/h5-7H,1-4H3,(H,12,14)"	"IMIDOCRTMDIQIJ-UHFFFAOYSA-N"		"1"	"2"	"TRUE"	"FALSE"
"3583"	"591-22-0"	"DTXSID5052254"	"3,5-Dimethylpyridine"	"EPA_DSSTox"	"CC1=CC(C)=CN=C1"	"CC1=CN=CC(C)=C1"	"?"	"InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3"	"HWWYDZCSSYKIAD-UHFFFAOYSA-N"		"2"		"FALSE"	"FALSE"
"3584"	"16506-27-7"	"DTXSID2046888"	"Bendamustine"	"EPA_DSSTox"	"CN1C(CCCC(O)=O)=NC2=C1C=CC(=C2)N(CCCl)CCCl"	"CN1C2C=CC(=CC=2N=C1CCCC(O)=O)N(CCCl)CCCl"	"?"	"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"		"2"	"3"	"FALSE"	"FALSE"
"3585"	"514-73-8"	"DTXSID8022955"	"Dithiazanine iodide"	"EPA_DSSTox"	"[I-].CCN1C(SC2=C1C=CC=C2)=CC=CC=CC1=[N+](CC)C2=C(S1)C=CC=C2"	"CC[N+]1C2C=CC=CC=2SC=1/C=C/C=C/C=C1/SC2C=CC=CC=2N/1CC"	"[I-]"	"InChI=1S/C23H23N2S2/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23/h5-17H,3-4H2,1-2H3/q+1"	"FYXWDSGGZAMYFZ-UHFFFAOYSA-N"		"2"	"3"	"FALSE"	"FALSE"
"3586"	"7327-60-8"	"DTXSID3029285"	"Acetonitrile, 2,2',2''-nitrilotris-"	"EPA_DSSTox"	"N#CCN(CC#N)CC#N"	"N#CCN(CC#N)CC#N"	"?"	"InChI=1S/C6H6N4/c7-1-4-10(5-2-8)6-3-9/h4-6H2"	"LJAIDEYQVIJERM-UHFFFAOYSA-N"		"2"	"3"	"FALSE"	"FALSE"
"3587"	"26364-65-8"	"DTXSID50395231"	"2-Cyanoimino-1,3-thiazolidine"	"EPA_DSSTox"	"N#CNC1=NCCS1"	"N#CNC1=NCCS1"	"?"	"InChI=1S/C4H5N3S/c5-3-7-4-6-1-2-8-4/h1-2H2,(H,6,7)"	"WTUAWWLVVCGTRG-UHFFFAOYSA-N"		"2"	"4"	"FALSE"	"FALSE"
"3588"	"63141-09-3"	"DTXSID7074581"	"Ethanone, 1-(1-chlorocyclopropyl)-"	"EPA_DSSTox"	"CC(=O)C1(Cl)CC1"	"CC(=O)C1(Cl)CC1"	"?"	"InChI=1S/C5H7ClO/c1-4(7)5(6)2-3-5/h2-3H2,1H3"	"KADOHHPNWMXGNG-UHFFFAOYSA-N"		"2"	"4"	"FALSE"	"FALSE"
"3589"	"33229-34-4"	"DTXSID6020193"	"HC Blue 2"	"EPA_DSSTox"	"OCCNC1=C(C=C(C=C1)N(CCO)CCO)[N+]([O-])=O"	"[O-][N+](=O)C1C=C(C=CC=1NCCO)N(CCO)CCO"	"?"	"InChI=1S/C12H19N3O5/c16-6-3-13-11-2-1-10(9-12(11)15(19)20)14(4-7-17)5-8-18/h1-2,9,13,16-18H,3-8H2"	"MIWUTEVJIISHCP-UHFFFAOYSA-N"		"3"		"FALSE"	"NA"
"3590"	"106092-09-5"			"Public_CrossChecked"	"NC1CCc2nc(N)sc2C1"	"NC1=NC2CCC(N)CC=2S1"	"?"	"InChI=1S/C7H11N3S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h4H,1-3,8H2,(H2,9,10)"	"DRRYZHHKWSHHFT-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"3591"	"14044-65-6"			"Public_CrossChecked"	"B.C1CCOC1"	"C1CCCO1"	"B"	"InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2"	"WYURNTSHIVDZCO-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"3592"	"18143-33-4"	"DTXSID40339987"	"Dimethyl(chloromethyl)methoxysilane"	"EPA_DSSTox"	"CO[Si](C)(C)CCl"	"CO[Si](C)(C)CCl"	"?"	"InChI=1S/C4H11ClOSi/c1-6-7(2,3)4-5/h4H2,1-3H3"	"ZCSLOBFDVTWIBL-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"3593"	"3775-90-4"	"DTXSID6044931"	"2-(tert-Butylamino)ethyl 2-methylprop-2-enoate"	"EPA_DSSTox"	"CC(=C)C(=O)OCCNC(C)(C)C"	"CC(=C)C(=O)OCCNC(C)(C)C"	"?"	"InChI=1S/C10H19NO2/c1-8(2)9(12)13-7-6-11-10(3,4)5/h11H,1,6-7H2,2-5H3"	"BEWCNXNIQCLWHP-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"3594"	"110-27-0"	"DTXSID0026838"	"Isopropyl tetradecanoic acid"	"EPA_DSSTox"	"CCCCCCCCCCCCCC(=O)OC(C)C"	"CCCCCCCCCCCCCC(=O)OC(C)C"	"?"	"InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3"	"AXISYYRBXTVTFY-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"3595"	"127-06-0"	"DTXSID6020010"	"Acetoxime"	"EPA_DSSTox"	"CC(C)=NO"	"CC(C)N=O"	"?"	"InChI=1S/C3H7NO/c1-3(2)4-5/h3H,1-2H3"	"NDEOFSCLJFPNSR-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"3596"	"21331-43-1"	"DTXSID70350105"	"4-(Naphthalen-2-yl)-1,3-thiazol-2-amine"	"EPA_DSSTox"	"NC1=NC(=CS1)C1=CC2=CC=CC=C2C=C1"	"NC1=NC(=CS1)C1C=C2C=CC=CC2=CC=1"	"?"	"InChI=1S/C13H10N2S/c14-13-15-12(8-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H2,14,15)"	"GWDNDNTTXIIXRS-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"3597"	"78-79-5"	"DTXSID2020761"	"Isoprene"	"EPA_DSSTox"	"CC(=C)C=C"	"CC(=C)C=C"	"?"	"InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3"	"RRHGJUQNOFWUDK-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"3598"	"107-35-7"	"DTXSID3021304"	"l-Taurine"	"EPA_DSSTox"	"NCCS(O)(=O)=O"	"NCCS(O)(=O)=O"	"?"	"InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)"	"XOAAWQZATWQOTB-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"3599"	"124-18-5"	"DTXSID6024913"	"Decane"	"EPA_DSSTox"	"CCCCCCCCCC"	"CCCCCCCCCC"	"?"	"InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3"	"DIOQZVSQGTUSAI-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"3600"	"2627-95-4"	"DTXSID7038810"	"1,3-Divinyl-1,1,3,3-tetramethyl disiloxane"	"EPA_DSSTox"	"C[Si](C)(O[Si](C)(C)C=C)C=C"	"C[Si](C)(C=C)O[Si](C)(C)C=C"	"?"	"InChI=1S/C8H18OSi2/c1-7-10(3,4)9-11(5,6)8-2/h7-8H,1-2H2,3-6H3"	"BITPLIXHRASDQB-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"3601"	"41096-46-2"	"DTXSID9042049"	"Hydroprene"	"EPA_DSSTox"	"CCOC(=O)\C=C(/C)\C=C\CC(C)CCCC(C)C"	"CC(C=CCC(C)CCCC(C)C)=CC(=O)OCC"	"?"	"InChI=1S/C17H30O2/c1-6-19-17(18)13-16(5)12-8-11-15(4)10-7-9-14(2)3/h8,12-15H,6-7,9-11H2,1-5H3"	"FYQGBXGJFWXIPP-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"3602"	"56-86-0"	"DTXSID5020659"	"L-Glutamic acid"	"EPA_DSSTox"	"N[C@@H](CCC(O)=O)C(O)=O"	"NC(CCC(O)=O)C(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"		"4"	"5"	"FALSE"	"TRUE"
"3603"	"689-67-8"	"DTXSID1021586"	"6,10-Dimethyl-5,9-undecadiene-2-one"	"EPA_DSSTox"	"CC(C)=CCCC(C)=CCCC(C)=O"	"CC(C)=CCCC(C)=CCCC(C)=O"	"?"	"InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3"	"HNZUNIKWNYHEJJ-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"3604"	"8001-78-3"			"Public_CrossChecked"	"CCCCCCC(O)CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC(O)CCCCCC)OC(=O)CCCCCCCCCCC(O)CCCCCC"	"CCCCCCC(O)CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC(O)CCCCCC)COC(=O)CCCCCCCCCCC(O)CCCCCC"	"?"	"InChI=1S/C57H110O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h51-54,58-60H,4-50H2,1-3H3"	"WCOXQTXVACYMLM-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"3605"	"94-13-3"	"DTXSID4022527"	"Propylparaben"	"EPA_DSSTox"	"CCCOC(=O)C1=CC=C(O)C=C1"	"CCCOC(=O)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3"	"QELSKZZBTMNZEB-UHFFFAOYSA-N"		"4"	"5"	"FALSE"	"TRUE"
"3606"	"107-49-3"	"DTXSID3034957"	"Tetraethyl pyrophosphate"	"EPA_DSSTox"	"CCOP(=O)(OCC)OP(=O)(OCC)OCC"	"CCOP(=O)(OP(=O)(OCC)OCC)OCC"	"?"	"InChI=1S/C8H20O7P2/c1-5-11-16(9,12-6-2)15-17(10,13-7-3)14-8-4/h5-8H2,1-4H3"	"IDCBOTIENDVCBQ-UHFFFAOYSA-N"	"0.5"	"1"	"1"	"TRUE"	"FALSE"
"3607"	"3691-35-8"	"DTXSID2032348"	"Chlorophacinone"	"EPA_DSSTox"	"ClC1=CC=C(C=C1)C(C(=O)C1C(=O)C2=C(C=CC=C2)C1=O)C1=CC=CC=C1"	"O=C(C(C1C=CC=CC=1)C1C=CC(Cl)=CC=1)C1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H"	"UDHXJZHVNHGCEC-UHFFFAOYSA-N"	"2.1"	"1"	"1"	"TRUE"	"FALSE"
"3608"	"534-52-1"	"DTXSID1022053"	"2-Methyl-4,6-dinitrophenol"	"EPA_DSSTox"	"CC1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O"	"CC1C=C(C=C(C=1O)[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3"	"ZXVONLUNISGICL-UHFFFAOYSA-N"	"7.0"	"1"	"2"	"TRUE"	"FALSE"
"3609"	"950-10-7"	"DTXSID0058221"	"Mephosfolan"	"EPA_DSSTox"	"CCOP(=O)(OCC)N=C1SCC(C)S1"	"CC1CSC(=NP(=O)(OCC)OCC)S1"	"?"	"InChI=1S/C8H16NO3PS2/c1-4-11-13(10,12-5-2)9-8-14-6-7(3)15-8/h7H,4-6H2,1-3H3"	"LTQSAUHRSCMPLD-UHFFFAOYSA-N"	"8.9"	"1"	"2"	"TRUE"	"FALSE"
"3610"	"470-90-6"	"DTXSID7034250"	"Chlorfenvinphos"	"EPA_DSSTox"	"CCOP(=O)(OCC)OC(=CCl)C1=C(Cl)C=C(Cl)C=C1"	"CCOP(=O)(OC(=CCl)C1C=CC(Cl)=CC=1Cl)OCC"	"?"	"InChI=1S/C12H14Cl3O4P/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"	"FSAVDKDHPDSCTO-UHFFFAOYSA-N"	"9.66"	"1"	"2"	"TRUE"	"FALSE"
"3611"	"56-72-4"	"DTXSID2020347"	"Coumaphos"	"EPA_DSSTox"	"CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(C)=C(Cl)C(=O)O2"	"CC1C2C=CC(=CC=2OC(=O)C=1Cl)OP(=S)(OCC)OCC"	"?"	"InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3"	"BXNANOICGRISHX-UHFFFAOYSA-N"	"13.0"	"1"	"2"	"TRUE"	"FALSE"
"3612"	"25311-71-1"	"DTXSID8032417"	"Isofenphos"	"EPA_DSSTox"	"CCOP(=S)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C"	"CCOP(=S)(NC(C)C)OC1C=CC=CC=1C(=O)OC(C)C"	"?"	"InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22)"	"HOQADATXFBOEGG-UHFFFAOYSA-N"	"21.1"	"1"	"2"	"TRUE"	"FALSE"
"3613"	"3333-52-6"	"DTXSID0026125"	"Tetramethylsuccinonitrile"	"EPA_DSSTox"	"CC(C)(C#N)C(C)(C)C#N"	"CC(C)(C#N)C(C)(C)C#N"	"?"	"InChI=1S/C8H12N2/c1-7(2,5-9)8(3,4)6-10/h1-4H3"	"ZVQXQPNJHRNGID-UHFFFAOYSA-N"	"27.0"	"1"	"2"	"TRUE"	"FALSE"
"3614"	"60-34-4"	"DTXSID4020874"	"Methylhydrazine"	"EPA_DSSTox"	"CNN"	"CNN"	"?"	"InChI=1S/CH6N2/c1-3-2/h3H,2H2,1H3"	"HDZGCSFEDULWCS-UHFFFAOYSA-N"	"32.0"	"1"	"2"	"TRUE"	"FALSE"
"3615"	"95-57-8"	"DTXSID5021544"	"2-Chlorophenol"	"EPA_DSSTox"	"OC1=CC=CC=C1Cl"	"OC1=CC=CC=C1Cl"	"?"	"InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H"	"ISPYQTSUDJAMAB-UHFFFAOYSA-N"	"40.0"	"1"	"2"	"TRUE"	"FALSE"
"3616"	"78-82-0"	"DTXSID5026461"	"2-Methylpropanenitrile"	"EPA_DSSTox"	"CC(C)C#N"	"CC(C)C#N"	"?"	"InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3"	"LRDFRRGEGBBSRN-UHFFFAOYSA-N"	"50.0"	"1"	"2"	"TRUE"	"FALSE"
"3617"	"124-63-0"	"DTXSID1021615"	"Methanesulfonyl chloride"	"EPA_DSSTox"	"CS(Cl)(=O)=O"	"CS(=O)(=O)Cl"	"?"	"InChI=1S/CH3ClO2S/c1-5(2,3)4/h1H3"	"QARBMVPHQWIHKH-UHFFFAOYSA-N"	"50.0"	"1"	"2"	"TRUE"	"FALSE"
"3618"	"485-31-4"	"DTXSID9040269"	"Binapacryl"	"EPA_DSSTox"	"CCC(C)C1=CC(=CC(=C1OC(=O)C=C(C)C)[N+]([O-])=O)[N+]([O-])=O"	"CC(C)=CC(=O)OC1C(=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O)C(C)CC"	"?"	"InChI=1S/C15H18N2O6/c1-5-10(4)12-7-11(16(19)20)8-13(17(21)22)15(12)23-14(18)6-9(2)3/h6-8,10H,5H2,1-4H3"	"ZRDUSMYWDRPZRM-UHFFFAOYSA-N"	"58.0"	"2"	"3"	"FALSE"	"FALSE"
"3619"	"107-96-0"	"DTXSID8026775"	"3-Mercaptopropanoic acid"	"EPA_DSSTox"	"OC(=O)CCS"	"OC(=O)CCS"	"?"	"InChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)"	"DKIDEFUBRARXTE-UHFFFAOYSA-N"	"63.0"	"2"	"3"	"FALSE"	"FALSE"
"3620"	"68-11-1"	"DTXSID8026141"	"Thioglycolic acid"	"EPA_DSSTox"	"OC(=O)CS"	"OC(=O)CS"	"?"	"InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)"	"CWERGRDVMFNCDR-UHFFFAOYSA-N"	"73.0"	"2"	"3"	"FALSE"	"FALSE"
"3621"	"2365-48-2"	"DTXSID0033673"	"Methyl thioglycolate"	"EPA_DSSTox"	"COC(=O)CS"	"COC(=O)CS"	"?"	"InChI=1S/C3H6O2S/c1-5-3(4)2-6/h6H,2H2,1H3"	"MKIJJIMOAABWGF-UHFFFAOYSA-N"	"84.0"	"2"	"3"	"FALSE"	"FALSE"
"3622"	"102-36-3"	"DTXSID9033008"	"3,4-Dichlorophenyl isocyanate"	"EPA_DSSTox"	"ClC1=C(Cl)C=C(C=C1)N=C=O"	"O=C=NC1=CC(Cl)=C(Cl)C=C1"	"?"	"InChI=1S/C7H3Cl2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H"	"MFUVCHZWGSJKEQ-UHFFFAOYSA-N"	"91.0"	"2"	"3"	"FALSE"	"FALSE"
"3623"	"50-18-0"	"DTXSID5020364"	"Cyclophosphamide"	"EPA_DSSTox"	"ClCCN(CCCl)P1(=O)NCCCO1"	"O=P1(NCCCO1)N(CCCl)CCCl"	"?"	"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"	"100.0"	"2"	"3"	"FALSE"	"FALSE"
"3624"	"107-11-9"	"DTXSID8024440"	"Allylamine"	"EPA_DSSTox"	"NCC=C"	"C=CCN"	"?"	"InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2"	"VVJKKWFAADXIJK-UHFFFAOYSA-N"	"102.0"	"2"	"3"	"FALSE"	"FALSE"
"3625"	"303-34-4"	"DTXSID1020772"	"Lasiocarpine"	"EPA_DSSTox"	"CO[C@@H](C)[C@@](O)(C(=O)OCC1=CCN2CC[C@H](OC(=O)C(\C)=C/C)[C@@H]12)C(C)(C)O"	"CC(C)(O)C(O)(C(C)OC)C(=O)OCC1=CCN2CCC(OC(=O)C(C)=CC)C21"	"?"	"InChI=1S/C21H33NO7/c1-7-13(2)18(23)29-16-9-11-22-10-8-15(17(16)22)12-28-19(24)21(26,14(3)27-6)20(4,5)25/h7-8,14,16-17,25-26H,9-12H2,1-6H3"	"QHOZSLCIKHUPSU-UHFFFAOYSA-N"	"110.0"	"2"	"3"	"FALSE"	"FALSE"
"3626"	"76-74-4"	"DTXSID7023435"	"Pentobarbital"	"EPA_DSSTox"	"CCCC(C)C1(CC)C(=O)NC(O)=NC1=O"	"CCC1(C(C)CCC)C(=O)NC(O)=NC1=O"	"?"	"InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)"	"WEXRUCMBJFQVBZ-UHFFFAOYSA-N"	"118.0"	"2"	"3"	"FALSE"	"FALSE"
"3627"	"116-01-8"	"DTXSID1041928"	"Ethoate-methyl"	"EPA_DSSTox"	"CCNC(=O)CSP(=S)(OC)OC"	"CCNC(=O)CSP(=S)(OC)OC"	"?"	"InChI=1S/C6H14NO3PS2/c1-4-7-6(8)5-13-11(12,9-2)10-3/h4-5H2,1-3H3,(H,7,8)"	"DICRHEJCQXFJBY-UHFFFAOYSA-N"	"125.0"	"2"	"3"	"FALSE"	"FALSE"
"3628"	"104-12-1"	"DTXSID7040732"	"4-Chlorophenyl isocyanate"	"EPA_DSSTox"	"ClC1=CC=C(C=C1)N=C=O"	"O=C=NC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H"	"ADAKRBAJFHTIEW-UHFFFAOYSA-N"	"138.0"	"2"	"3"	"FALSE"	"FALSE"
"3629"	"135410-20-7"	"DTXSID0034300"	"Acetamiprid"	"EPA_DSSTox"	"CN(CC1=CN=C(Cl)C=C1)C(\C)=N\C#N"	"CC(=NC#N)N(C)CC1=CN=C(Cl)C=C1"	"?"	"InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3"	"WCXDHFDTOYPNIE-UHFFFAOYSA-N"	"146.0"	"2"	"3"	"FALSE"	"FALSE"
"3630"	"13457-18-6"	"DTXSID7042352"	"Pyrazophos"	"EPA_DSSTox"	"CCOC(=O)C1=CN2N=C(OP(=S)(OCC)OCC)C=C2N=C1C"	"CC1=NC2=CC(=NN2C=C1C(=O)OCC)OP(=S)(OCC)OCC"	"?"	"InChI=1S/C14H20N3O5PS/c1-5-19-14(18)11-9-17-12(15-10(11)4)8-13(16-17)22-23(24,20-6-2)21-7-3/h8-9H,5-7H2,1-4H3"	"JOOMJVFZQRQWKR-UHFFFAOYSA-N"	"151.0"	"2"	"3"	"FALSE"	"FALSE"
"3631"	"124-64-1"	"DTXSID5021330"	"Tetrakis(hydroxymethyl)phosphonium chloride"	"EPA_DSSTox"	"[Cl-].OC[P+](CO)(CO)CO"	"OC[P+](CO)(CO)CO"	"[Cl-]"	"InChI=1S/C4H12O4P/c5-1-9(2-6,3-7)4-8/h5-8H,1-4H2/q+1"	"FAUOSXUSCVJWAY-UHFFFAOYSA-N"	"161.0"	"2"	"3"	"FALSE"	"FALSE"
"3632"	"10222-01-2"	"DTXSID5032361"	"2,2-Dibromo-3-nitrilopropionamide"	"EPA_DSSTox"	"NC(=O)C(Br)(Br)C#N"	"NC(=O)C(Br)(Br)C#N"	"?"	"InChI=1S/C3H2Br2N2O/c4-3(5,1-6)2(7)8/h(H2,7,8)"	"UUIVKBHZENILKB-UHFFFAOYSA-N"	"178.0"	"2"	"3"	"FALSE"	"FALSE"
"3633"	"75-94-5"	"DTXSID8026430"	"Trichloroethenylsilane"	"EPA_DSSTox"	"Cl[Si](Cl)(Cl)C=C"	"C=C[Si](Cl)(Cl)Cl"	"?"	"InChI=1S/C2H3Cl3Si/c1-2-6(3,4)5/h2H,1H2"	"GQIUQDDJKHLHTB-UHFFFAOYSA-N"	"190.0"	"2"	"3"	"FALSE"	"FALSE"
"3634"	"106-44-5"	"DTXSID7021869"	"p-Cresol"	"EPA_DSSTox"	"CC1=CC=C(O)C=C1"	"CC1=CC=C(O)C=C1"	"?"	"InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3"	"IWDCLRJOBJJRNH-UHFFFAOYSA-N"	"207.0"	"2"	"3"	"FALSE"	"FALSE"
"3635"	"2540-82-1"	"DTXSID4041991"	"Formothion"	"EPA_DSSTox"	"COP(=S)(OC)SCC(=O)N(C)C=O"	"CN(C=O)C(=O)CSP(=S)(OC)OC"	"?"	"InChI=1S/C6H12NO4PS2/c1-7(5-8)6(9)4-14-12(13,10-2)11-3/h5H,4H2,1-3H3"	"AIKKULXCBHRFOS-UHFFFAOYSA-N"	"218.0"	"2"	"3"	"FALSE"	"FALSE"
"3636"	"58-55-9"	"DTXSID5021336"	"Theophylline"	"EPA_DSSTox"	"CN1C2=C(NC=N2)C(=O)N(C)C1=O"	"CN1C(=O)C2NC=NC=2N(C)C1=O"	"?"	"InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)"	"ZFXYFBGIUFBOJW-UHFFFAOYSA-N"	"225.0"	"2"	"3"	"FALSE"	"FALSE"
"3637"	"134098-61-6"	"DTXSID7032557"	"Fenpyroximate"	"EPA_DSSTox"	"CN1N=C(C)C(\C=N\OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)=C1OC1=CC=CC=C1"	"CC1=NN(C)C(OC2C=CC=CC=2)=C1C=NOCC1=CC=C(C=C1)C(=O)OC(C)(C)C"	"?"	"InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3"	"YYJNOYZRYGDPNH-UHFFFAOYSA-N"	"245.0"	"2"	"3"	"FALSE"	"FALSE"
"3638"	"77-48-5"	"DTXSID3035341"	"1,3-Dibromo-5,5-dimethylhydantoin"	"EPA_DSSTox"	"CC1(C)N(Br)C(=O)N(Br)C1=O"	"CC1(C)C(=O)N(Br)C(=O)N1Br"	"?"	"InChI=1S/C5H6Br2N2O2/c1-5(2)3(10)8(6)4(11)9(5)7/h1-2H3"	"VRLDVERQJMEPIF-UHFFFAOYSA-N"	"250.0"	"2"	"3"	"FALSE"	"FALSE"
"3639"	"69409-94-5"	"DTXSID7024110"	"Fluvalinate"	"EPA_DSSTox"	"CC(C)C(NC1=C(Cl)C=C(C=C1)C(F)(F)F)C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1"	"CC(C)C(NC1C=CC(=CC=1Cl)C(F)(F)F)C(=O)OC(C#N)C1C=CC=C(C=1)OC1C=CC=CC=1"	"?"	"InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3"	"INISTDXBRIBGOC-UHFFFAOYSA-N"	"261.0"	"2"	"3"	"FALSE"	"FALSE"
"3640"	"2463-84-5"	"DTXSID0041850"	"Dicapthon"	"EPA_DSSTox"	"COP(=S)(OC)OC1=CC=C(C=C1Cl)[N+]([O-])=O"	"COP(=S)(OC1C=CC(=CC=1Cl)[N+]([O-])=O)OC"	"?"	"InChI=1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-8-4-3-6(10(11)12)5-7(8)9/h3-5H,1-2H3"	"OTKXWJHPGBRXCR-UHFFFAOYSA-N"	"284.0"	"2"	"3"	"FALSE"	"FALSE"
"3641"	"93-76-5"	"DTXSID5021388"	"2,4,5-Trichlorophenoxyacetic acid"	"EPA_DSSTox"	"OC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=C1"	"OC(=O)COC1C=C(Cl)C(Cl)=CC=1Cl"	"?"	"InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)"	"SMYMJHWAQXWPDB-UHFFFAOYSA-N"	"300.0"	"2"	"4"	"FALSE"	"FALSE"
"3642"	"77-47-4"	"DTXSID2020688"	"Hexachlorocyclopentadiene"	"EPA_DSSTox"	"ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl"	"ClC1(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl"	"?"	"InChI=1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8"	"VUNCWTMEJYMOOR-UHFFFAOYSA-N"	"315.0"	"2"	"4"	"FALSE"	"FALSE"
"3643"	"554-84-7"	"DTXSID2025765"	"3-Nitrophenol"	"EPA_DSSTox"	"OC1=CC=CC(=C1)[N+]([O-])=O"	"[O-][N+](=O)C1C=CC=C(O)C=1"	"?"	"InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H"	"RTZZCYNQPHTPPL-UHFFFAOYSA-N"	"328.0"	"2"	"4"	"FALSE"	"FALSE"
"3644"	"103-69-5"	"DTXSID1025271"	"N-Ethylaniline"	"EPA_DSSTox"	"CCNC1=CC=CC=C1"	"CCNC1C=CC=CC=1"	"?"	"InChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3"	"OJGMBLNIHDZDGS-UHFFFAOYSA-N"	"334.0"	"2"	"4"	"FALSE"	"FALSE"
"3645"	"3688-53-7"	"DTXSID9020033"	"AF-2"	"EPA_DSSTox"	"NC(=O)C(=C/C1=CC=C(O1)[N+]([O-])=O)\C1=CC=CO1"	"NC(=O)C(=CC1=CC=C(O1)[N+]([O-])=O)C1=CC=CO1"	"?"	"InChI=1S/C11H8N2O5/c12-11(14)8(9-2-1-5-17-9)6-7-3-4-10(18-7)13(15)16/h1-6H,(H2,12,14)"	"LYAHJFZLDZDIOH-UHFFFAOYSA-N"	"340.0"	"2"	"4"	"FALSE"	"FALSE"
"3646"	"109-73-9"	"DTXSID1021904"	"Butylamine"	"EPA_DSSTox"	"CCCCN"	"CCCCN"	"?"	"InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3"	"HQABUPZFAYXKJW-UHFFFAOYSA-N"	"366.0"	"2"	"4"	"FALSE"	"FALSE"
"3647"	"94-11-1"	"DTXSID5020445"	"2,4-D isopropyl ester"	"EPA_DSSTox"	"CC(C)OC(=O)COC1=C(Cl)C=C(Cl)C=C1"	"CC(C)OC(=O)COC1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C11H12Cl2O3/c1-7(2)16-11(14)6-15-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3"	"WHOKDONDRZNCBC-UHFFFAOYSA-N"	"375.0"	"2"	"4"	"FALSE"	"FALSE"
"3648"	"142-59-6"	"DTXSID5020603"	"Nabam-sodium"	"EPA_DSSTox"	"[Na+].[Na+].[S-]C(=S)NCCNC([S-])=S"	"SC(=S)NCCNC(S)=S"	"[Na+].[Na+]"	"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"	"395.0"	"2"	"4"	"FALSE"	"FALSE"
"3649"	"76-03-9"	"DTXSID1021378"	"Trichloroacetic acid"	"EPA_DSSTox"	"OC(=O)C(Cl)(Cl)Cl"	"OC(=O)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)"	"YNJBWRMUSHSURL-UHFFFAOYSA-N"	"400.0"	"2"	"4"	"FALSE"	"FALSE"
"3650"	"50679-08-8"	"DTXSID2023642"	"Terfenadine"	"EPA_DSSTox"	"CC(C)(C)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1"	"CC(C)(C)C1C=CC(=CC=1)C(O)CCCN1CCC(CC1)C(O)(C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3"	"GUGOEEXESWIERI-UHFFFAOYSA-N"	"438.0"	"2"	"4"	"FALSE"	"FALSE"
"3651"	"628-96-6"	"DTXSID6027264"	"Ethylene glycol dinitrate"	"EPA_DSSTox"	"[O-][N+](=O)OCCO[N+]([O-])=O"	"[O-][N+](=O)OCCO[N+]([O-])=O"	"?"	"InChI=1S/C2H4N2O6/c5-3(6)9-1-2-10-4(7)8/h1-2H2"	"UQXKXGWGFRWILX-UHFFFAOYSA-N"	"460.0"	"2"	"4"	"FALSE"	"FALSE"
"3652"	"54041-17-7"	"DTXSID4041571"	"Acetamide, N-(4-fluorophenyl)-2-hydroxy-N-(1-methylethyl)-"	"EPA_DSSTox"	"CC(C)N(C(=O)CO)C1=CC=C(F)C=C1"	"CC(C)N(C(=O)CO)C1C=CC(F)=CC=1"	"?"	"InChI=1S/C11H14FNO2/c1-8(2)13(11(15)7-14)10-5-3-9(12)4-6-10/h3-6,8,14H,7H2,1-2H3"	"RISGISSUGUGJMO-UHFFFAOYSA-N"	"474.0"	"2"	"4"	"FALSE"	"FALSE"
"3653"	"136-78-7"	"DTXSID0042377"	"Sesone"	"EPA_DSSTox"	"[Na+].[O-]S(=O)(=O)OCCOC1=CC=C(Cl)C=C1Cl"	"OS(=O)(=O)OCCOC1C=CC(Cl)=CC=1Cl"	"[Na+]"	"InChI=1S/C8H8Cl2O5S/c9-6-1-2-8(7(10)5-6)14-3-4-15-16(11,12)13/h1-2,5H,3-4H2,(H,11,12,13)"	"HJEINPVZRDJRBY-UHFFFAOYSA-N"	"480.0"	"2"	"4"	"FALSE"	"FALSE"
"3654"	"1762-95-4"	"DTXSID3029653"	"Thiocyanic acid, ammonium salt"	"EPA_DSSTox"	"[NH4+].[S-]C#N"	"N#CS"	"[NH4+]"	"InChI=1S/CHNS/c2-1-3/h3H"	"ZMZDMBWJUHKJPS-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"3655"	"35691-65-7"	"DTXSID3024944"	"1,2-Dibromo-2,4-dicyanobutane"	"EPA_DSSTox"	"BrCC(Br)(CCC#N)C#N"	"N#CCCC(Br)(CBr)C#N"	"?"	"InChI=1S/C6H6Br2N2/c7-4-6(8,5-10)2-1-3-9/h1-2,4H2"	"DHVLDKHFGIVEIP-UHFFFAOYSA-N"	"515.0"	"3"	"4"	"FALSE"	"FALSE"
"3656"	"90-05-1"	"DTXSID0023113"	"2-Methoxyphenol"	"EPA_DSSTox"	"COC1=C(O)C=CC=C1"	"COC1C=CC=CC=1O"	"?"	"InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3"	"LHGVFZTZFXWLCP-UHFFFAOYSA-N"	"520.0"	"3"	"4"	"FALSE"	"FALSE"
"3657"	"818-61-1"	"DTXSID2022123"	"2-Hydroxyethyl acrylate"	"EPA_DSSTox"	"OCCOC(=O)C=C"	"C=CC(=O)OCCO"	"?"	"InChI=1S/C5H8O3/c1-2-5(7)8-4-3-6/h2,6H,1,3-4H2"	"OMIGHNLMNHATMP-UHFFFAOYSA-N"	"548.0"	"3"	"4"	"FALSE"	"FALSE"
"3658"	"115-32-2"	"DTXSID4020450"	"Dicofol"	"EPA_DSSTox"	"OC(C1=CC=C(Cl)C=C1)(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl"	"OC(C1C=CC(Cl)=CC=1)(C1C=CC(Cl)=CC=1)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H"	"UOAMTSKGCBMZTC-UHFFFAOYSA-N"	"575.0"	"3"	"4"	"FALSE"	"FALSE"
"3659"	"119168-77-3"	"DTXSID0034223"	"Tebufenpyrad"	"EPA_DSSTox"	"CCC1=NN(C)C(C(=O)NCC2=CC=C(C=C2)C(C)(C)C)=C1Cl"	"CCC1=NN(C)C(C(=O)NCC2C=CC(=CC=2)C(C)(C)C)=C1Cl"	"?"	"InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)"	"ZZYSLNWGKKDOML-UHFFFAOYSA-N"	"595.0"	"3"	"4"	"FALSE"	"FALSE"
"3660"	"1719-53-5"	"DTXSID3025043"	"Diethyldichlorosilane"	"EPA_DSSTox"	"CC[Si](Cl)(Cl)CC"	"CC[Si](Cl)(Cl)CC"	"?"	"InChI=1S/C4H10Cl2Si/c1-3-7(5,6)4-2/h3-4H2,1-2H3"	"BYLOHCRAPOSXLY-UHFFFAOYSA-N"	"600.0"	"3"	"4"	"FALSE"	"FALSE"
"3661"	"93-72-1"	"DTXSID0021387"	"2-(2,4,5-Trichlorophenoxy)propionic acid"	"EPA_DSSTox"	"CC(OC1=C(Cl)C=C(Cl)C(Cl)=C1)C(O)=O"	"CC(OC1C=C(Cl)C(Cl)=CC=1Cl)C(O)=O"	"?"	"InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,1H3,(H,13,14)"	"ZLSWBLPERHFHIS-UHFFFAOYSA-N"	"650.0"	"3"	"4"	"FALSE"	"FALSE"
"3662"	"99-56-9"	"DTXSID9020958"	"4-Nitro-1,2-phenylenediamine"	"EPA_DSSTox"	"NC1=C(N)C=C(C=C1)[N+]([O-])=O"	"NC1C=C(C=CC=1N)[N+]([O-])=O"	"?"	"InChI=1S/C6H7N3O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,7-8H2"	"RAUWPNXIALNKQM-UHFFFAOYSA-N"	"681.0"	"3"	"4"	"FALSE"	"FALSE"
"3663"	"693-21-0"	"DTXSID1024047"	"Diethylene glycol dinitrate"	"EPA_DSSTox"	"[O-][N+](=O)OCCOCCO[N+]([O-])=O"	"[O-][N+](=O)OCCOCCO[N+]([O-])=O"	"?"	"InChI=1S/C4H8N2O7/c7-5(8)12-3-1-11-2-4-13-6(9)10/h1-4H2"	"LYAGTVMJGHTIDH-UHFFFAOYSA-N"	"753.0"	"3"	"4"	"FALSE"	"FALSE"
"3664"	"85-98-3"	"DTXSID8025040"	"N,N'-Diethylcarbanilide"	"EPA_DSSTox"	"CCN(C(=O)N(CC)C1=CC=CC=C1)C1=CC=CC=C1"	"CCN(C(=O)N(CC)C1C=CC=CC=1)C1C=CC=CC=1"	"?"	"InChI=1S/C17H20N2O/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3"	"PZIMIYVOZBTARW-UHFFFAOYSA-N"	"780.9"	"3"	"4"	"FALSE"	"FALSE"
"3665"	"115-21-9"	"DTXSID7026940"	"Trichloroethylsilane"	"EPA_DSSTox"	"CC[Si](Cl)(Cl)Cl"	"CC[Si](Cl)(Cl)Cl"	"?"	"InChI=1S/C2H5Cl3Si/c1-2-6(3,4)5/h2H2,1H3"	"ZOYFEXPFPVDYIS-UHFFFAOYSA-N"	"800.0"	"3"	"4"	"FALSE"	"FALSE"
"3666"	"93-15-2"	"DTXSID5025607"	"Methyleugenol"	"EPA_DSSTox"	"COC1=CC=C(CC=C)C=C1OC"	"COC1=CC=C(CC=C)C=C1OC"	"?"	"InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3"	"ZYEMGPIYFIJGTP-UHFFFAOYSA-N"	"810.0"	"3"	"4"	"FALSE"	"FALSE"
"3667"	"1929-73-3"	"DTXSID1032309"	"2,4-D-Butotyl"	"EPA_DSSTox"	"CCCCOCCOC(=O)COC1=C(Cl)C=C(Cl)C=C1"	"CCCCOCCOC(=O)COC1C=CC(Cl)=CC=1Cl"	"?"	"InChI=1S/C14H18Cl2O4/c1-2-3-6-18-7-8-19-14(17)10-20-13-5-4-11(15)9-12(13)16/h4-5,9H,2-3,6-8,10H2,1H3"	"ZMWGIGHRZQTQRE-UHFFFAOYSA-N"	"831.0"	"3"	"4"	"FALSE"	"FALSE"
"3668"	"158062-67-0"	"DTXSID8034611"	"Flonicamid"	"EPA_DSSTox"	"FC(F)(F)C1=CC=NC=C1C(=O)NCC#N"	"N#CCNC(=O)C1=CN=CC=C1C(F)(F)F"	"?"	"InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)"	"RLQJEEJISHYWON-UHFFFAOYSA-N"	"884.0"	"3"	"4"	"FALSE"	"FALSE"
"3669"	"75-98-9"	"DTXSID8026432"	"2,2-Dimethylpropanoic acid"	"EPA_DSSTox"	"CC(C)(C)C(O)=O"	"CC(C)(C)C(O)=O"	"?"	"InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)"	"IUGYQRQAERSCNH-UHFFFAOYSA-N"	"900.0"	"3"	"4"	"FALSE"	"FALSE"
"3670"	"87-59-2"	"DTXSID3026304"	"2,3-Dimethylaniline"	"EPA_DSSTox"	"CC1=CC=CC(N)=C1C"	"CC1=C(N)C=CC=C1C"	"?"	"InChI=1S/C8H11N/c1-6-4-3-5-8(9)7(6)2/h3-5H,9H2,1-2H3"	"VVAKEQGKZNKUSU-UHFFFAOYSA-N"	"930.0"	"3"	"4"	"FALSE"	"FALSE"
"3671"	"636-21-5"	"DTXSID7021364"	"2-Methylaniline hydrochloride"	"EPA_DSSTox"	"Cl.CC1=CC=CC=C1N"	"CC1C=CC=CC=1N"	"Cl"	"InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3"	"RNVCVTLRINQCPJ-UHFFFAOYSA-N"	"940.0"	"3"	"4"	"FALSE"	"FALSE"
"3672"	"57-63-6"	"DTXSID5020576"	"17alpha-Ethinylestradiol"	"EPA_DSSTox"	"[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3"	"CC12CCC3C(CCC4C=C(O)C=CC=43)C1CCC2(O)C#C"	"?"	"InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3"	"BFPYWIDHMRZLRN-UHFFFAOYSA-N"	"960.0"	"3"	"4"	"FALSE"	"FALSE"
"3673"	"124-30-1"	"DTXSID1025801"	"1-Octadecanamine"	"EPA_DSSTox"	"CCCCCCCCCCCCCCCCCCN"	"CCCCCCCCCCCCCCCCCCN"	"?"	"InChI=1S/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3"	"REYJJPSVUYRZGE-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"3674"	"5417-35-6"	"DTXSID10202518"	"4,7-Dihydro-2-isopropyl-1,3-dioxepin"	"EPA_DSSTox"	"CC(C)C1OCC=CCO1"	"CC(C)C1OCC=CCO1"	"?"	"InChI=1S/C8H14O2/c1-7(2)8-9-5-3-4-6-10-8/h3-4,7-8H,5-6H2,1-2H3"	"DMGDSBIHRJJUGP-UHFFFAOYSA-N"	"1000.31"	"3"	"4"	"FALSE"	"FALSE"
"3675"	"88-12-0"	"DTXSID2021440"	"N-Vinyl-2-pyrrolidone"	"EPA_DSSTox"	"C=CN1CCCC1=O"	"C=CN1CCCC1=O"	"?"	"InChI=1S/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2"	"WHNWPMSKXPGLAX-UHFFFAOYSA-N"	"1022.0"	"3"	"4"	"FALSE"	"FALSE"
"3676"	"40487-42-1"	"DTXSID7024245"	"Pendimethalin"	"EPA_DSSTox"	"CCC(CC)NC1=C(C(C)=C(C)C=C1[N+]([O-])=O)[N+]([O-])=O"	"CC1=C(C(NC(CC)CC)=C(C=C1C)[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3"	"CHIFOSRWCNZCFN-UHFFFAOYSA-N"	"1050.0"	"3"	"4"	"FALSE"	"FALSE"
"3677"	"111-40-0"	"DTXSID2025050"	"Diethylenetriamine"	"EPA_DSSTox"	"NCCNCCN"	"NCCNCCN"	"?"	"InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2"	"RPNUMPOLZDHAAY-UHFFFAOYSA-N"	"1080.0"	"3"	"4"	"FALSE"	"FALSE"
"3678"	"2439-01-2"	"DTXSID2032342"	"Chinomethionate"	"EPA_DSSTox"	"CC1=CC2=NC3=C(SC(=O)S3)N=C2C=C1"	"CC1=CC2N=C3SC(=O)SC3=NC=2C=C1"	"?"	"InChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3"	"FBQQHUGEACOBDN-UHFFFAOYSA-N"	"1100.0"	"3"	"4"	"FALSE"	"FALSE"
"3679"	"389-08-2"	"DTXSID3020912"	"Nalidixic acid"	"EPA_DSSTox"	"CCN1C=C(C(O)=O)C(=O)C2=C1N=C(C)C=C2"	"CC1C=CC2=C(N=1)N(CC)C=C(C(O)=O)C2=O"	"?"	"InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)"	"MHWLWQUZZRMNGJ-UHFFFAOYSA-N"	"1160.0"	"3"	"4"	"FALSE"	"FALSE"
"3680"	"2782-57-2"	"DTXSID8024993"	"Troclosene"	"EPA_DSSTox"	"ClN1C(=O)NC(=O)N(Cl)C1=O"	"O=C1N(Cl)C(=O)NC(=O)N1Cl"	"?"	"InChI=1S/C3HCl2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)"	"CEJLBZWIKQJOAT-UHFFFAOYSA-N"	"1173.0"	"3"	"4"	"FALSE"	"FALSE"
"3681"	"1929-77-7"	"DTXSID7024376"	"Vernolate"	"EPA_DSSTox"	"CCCSC(=O)N(CCC)CCC"	"CCCSC(=O)N(CCC)CCC"	"?"	"InChI=1S/C10H21NOS/c1-4-7-11(8-5-2)10(12)13-9-6-3/h4-9H2,1-3H3"	"OKUGPJPKMAEJOE-UHFFFAOYSA-N"	"1200.0"	"3"	"4"	"FALSE"	"FALSE"
"3682"	"101-21-3"	"DTXSID7020764"	"Chlorpropham"	"EPA_DSSTox"	"CC(C)OC(=O)NC1=CC=CC(Cl)=C1"	"CC(C)OC(=O)NC1C=C(Cl)C=CC=1"	"?"	"InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)"	"CWJSHJJYOPWUGX-UHFFFAOYSA-N"	"1200.0"	"3"	"4"	"FALSE"	"FALSE"
"3683"	"25307-17-9"	"DTXSID40860105"	"Ethanol, 2,2'-(9-octadecen-1-ylimino)bis-"	"EPA_DSSTox"	"CCCCCCCCC=CCCCCCCCCN(CCO)CCO"	"CCCCCCCCC=CCCCCCCCCN(CCO)CCO"	"?"	"InChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25/h9-10,24-25H,2-8,11-22H2,1H3"	"BITAPBDLHJQAID-UHFFFAOYSA-N"	"1260.0"	"3"	"4"	"FALSE"	"FALSE"
"3684"	"562-74-3"	"DTXSID4044824"	"4-Methyl-1-(propan-2-yl)cyclohex-3-en-1-ol"	"EPA_DSSTox"	"CC(C)C1(O)CCC(C)=CC1"	"CC(C)C1(O)CC=C(C)CC1"	"?"	"InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3"	"WRYLYDPHFGVWKC-UHFFFAOYSA-N"	"1300.0"	"3"	"4"	"FALSE"	"FALSE"
"3685"	"99129-21-2"	"DTXSID3034458"	"Clethodim"	"EPA_DSSTox"	"CCSC(C)CC1CC(O)=C(\C(CC)=N\OC\C=C\Cl)C(=O)C1"	"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/h6-7,12-13,20H,4-5,8-11H2,1-3H3"	"SILSDTWXNBZOGF-UHFFFAOYSA-N"	"1360.0"	"3"	"4"	"FALSE"	"FALSE"
"3686"	"845-52-3"	"DTXSID6041341"	"2,4-Bis((3-methoxypropyl)amino)-6(methylthio)-s-triazine"	"EPA_DSSTox"	"COCCCNC1=NC(SC)=NC(NCCCOC)=N1"	"CSC1N=C(NCCCOC)N=C(NCCCOC)N=1"	"?"	"InChI=1S/C12H23N5O2S/c1-18-8-4-6-13-10-15-11(14-7-5-9-19-2)17-12(16-10)20-3/h4-9H2,1-3H3,(H2,13,14,15,16,17)"	"FBMDQVBGIYSDTI-UHFFFAOYSA-N"	"1400.0"	"3"	"4"	"FALSE"	"FALSE"
"3687"	"67306-00-7"	"DTXSID9058157"	"Fenpropidin"	"EPA_DSSTox"	"CC(CN1CCCCC1)CC1=CC=C(C=C1)C(C)(C)C"	"CC(CC1C=CC(=CC=1)C(C)(C)C)CN1CCCCC1"	"?"	"InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3"	"MGNFYQILYYYUBS-UHFFFAOYSA-N"	"1447.0"	"3"	"4"	"FALSE"	"FALSE"
"3688"	"29911-27-1"	"DTXSID3033276"	"Butyl dipropasol solvent"	"EPA_DSSTox"	"CCCOCC(C)OCC(C)O"	"CCCOCC(C)OCC(C)O"	"?"	"InChI=1S/C9H20O3/c1-4-5-11-7-9(3)12-6-8(2)10/h8-10H,4-7H2,1-3H3"	"WEZPLQKRXDBPEP-UHFFFAOYSA-N"	"1500.0"	"3"	"4"	"FALSE"	"FALSE"
"3689"	"614-39-1"	"DTXSID2049422"	"Procainamide hydrochloride"	"EPA_DSSTox"	"Cl.CCN(CC)CCNC(=O)C1=CC=C(N)C=C1"	"CCN(CCNC(=O)C1C=CC(N)=CC=1)CC"	"Cl"	"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"	"1509.0"	"3"	"4"	"FALSE"	"FALSE"
"3690"	"107-87-9"	"DTXSID0021888"	"2-Pentanone"	"EPA_DSSTox"	"CCCC(C)=O"	"CCCC(C)=O"	"?"	"InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3"	"XNLICIUVMPYHGG-UHFFFAOYSA-N"	"1600.0"	"3"	"4"	"FALSE"	"FALSE"
"3691"	"78-96-6"	"DTXSID9021764"	"1-Amino-2-propanol"	"EPA_DSSTox"	"CC(O)CN"	"CC(O)CN"	"?"	"InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3"	"HXKKHQJGJAFBHI-UHFFFAOYSA-N"	"1715.0"	"3"	"4"	"FALSE"	"FALSE"
"3692"	"62037-80-3"	"DTXSID40108559"	"Ammonium 2-(perfluoropropoxy)perfluoropropionate"	"EPA_DSSTox"	"[NH4+].[O-]C(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F"	"OC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F"	"[NH4+]"	"InChI=1S/C6HF11O3/c7-2(1(18)19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15/h(H,18,19)"	"CSEBNABAWMZWIF-UHFFFAOYSA-N"	"1750.0"	"3"	"4"	"FALSE"	"FALSE"
"3693"	"93-75-4"	"DTXSID3042471"	"Thioquinox"	"EPA_DSSTox"	"S=C1SC2=C(S1)N=C1C=CC=CC1=N2"	"S=C1SC2N=C3C=CC=CC3=NC=2S1"	"?"	"InChI=1S/C9H4N2S3/c12-9-13-7-8(14-9)11-6-4-2-1-3-5(6)10-7/h1-4H"	"ILERPRJWJPJZDN-UHFFFAOYSA-N"	"1800.0"	"3"	"4"	"FALSE"	"FALSE"
"3694"	"31512-74-0"	"DTXSID8034829"	"Polixetonium chloride"	"EPA_DSSTox"	"[Cl-].[Cl-].CCC[N+](C)(C)CC[N+](C)(C)CCO"	"CCC[N+](C)(C)CC[N+](C)(C)CCO"	"[Cl-].[Cl-]"	"InChI=1S/C11H28N2O/c1-6-7-12(2,3)8-9-13(4,5)10-11-14/h14H,6-11H2,1-5H3/q+2"	"QMNNRGKJQDYTLA-UHFFFAOYSA-N"	"1850.0"	"3"	"4"	"FALSE"	"FALSE"
"3695"	"584-08-7"	"DTXSID2036245"	"Carbonic acid, dipotassium salt"	"EPA_DSSTox"	"[K+].[K+].[O-]C([O-])=O"	"OC(O)=O"	"[K+].[K+]"	"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)"	"BVKZGUZCCUSVTD-UHFFFAOYSA-N"	"1870.0"	"3"	"4"	"FALSE"	"FALSE"
"3696"	"611-70-1"	"DTXSID6048202"	"Isopropyl phenyl ketone"	"EPA_DSSTox"	"CC(C)C(=O)C1=CC=CC=C1"	"CC(C)C(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C10H12O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8H,1-2H3"	"BSMGLVDZZMBWQB-UHFFFAOYSA-N"	"1946.0"	"3"	"4"	"FALSE"	"FALSE"
"3697"	"111-88-6"	"DTXSID4026894"	"1-Octanethiol"	"EPA_DSSTox"	"CCCCCCCCS"	"CCCCCCCCS"	"?"	"InChI=1S/C8H18S/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3"	"KZCOBXFFBQJQHH-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"3698"	"814-94-8"	"DTXSID1061152"	"Ethanedioic acid, tin(2+) salt (1:1)"	"EPA_DSSTox"	"[Sn++].[O-]C(=O)C([O-])=O"	"OC(=O)C(O)=O"	"[Sn+2]"	"InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)"	"MUBZPKHOEPUJKR-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"3699"	"108-10-1"	"DTXSID5021889"	"4-Methyl-2-pentanone"	"EPA_DSSTox"	"CC(C)CC(C)=O"	"CC(C)CC(C)=O"	"?"	"InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3"	"NTIZESTWPVYFNL-UHFFFAOYSA-N"	"2080.0"	"3"	"5"	"FALSE"	"TRUE"
"3700"	"83-41-0"	"DTXSID7025132"	"1,2-Dimethyl-3-nitrobenzene"	"EPA_DSSTox"	"CC1=CC=CC(=C1C)[N+]([O-])=O"	"CC1=C(C=CC=C1C)[N+]([O-])=O"	"?"	"InChI=1S/C8H9NO2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3"	"FVHAWXWFPBPFOS-UHFFFAOYSA-N"	"2110.0"	"3"	"5"	"FALSE"	"TRUE"
"3701"	"104-68-7"	"DTXSID0051528"	"Diethylene glycol monophenyl ether"	"EPA_DSSTox"	"OCCOCCOC1=CC=CC=C1"	"OCCOCCOC1C=CC=CC=1"	"?"	"InChI=1S/C10H14O3/c11-6-7-12-8-9-13-10-4-2-1-3-5-10/h1-5,11H,6-9H2"	"ZUAURMBNZUCEAF-UHFFFAOYSA-N"	"2140.0"	"3"	"5"	"FALSE"	"TRUE"
"3702"	"122-98-5"	"DTXSID8059550"	"Ethanol, 2-(phenylamino)-"	"EPA_DSSTox"	"OCCNC1=CC=CC=C1"	"OCCNC1C=CC=CC=1"	"?"	"InChI=1S/C8H11NO/c10-7-6-9-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2"	"MWGATWIBSKHFMR-UHFFFAOYSA-N"	"2230.0"	"3"	"5"	"FALSE"	"TRUE"
"3703"	"40596-69-8"	"DTXSID8032627"	"Methoprene"	"EPA_DSSTox"	"COC(C)(C)CCCC(C)C\C=C\C(\C)=C\C(=O)OC(C)C"	"CC(C=CCC(C)CCCC(C)(C)OC)=CC(=O)OC(C)C"	"?"	"InChI=1S/C19H34O3/c1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h8,11,14-16H,9-10,12-13H2,1-7H3"	"NFGXHKASABOEEW-UHFFFAOYSA-N"	"2323.0"	"3"	"5"	"FALSE"	"TRUE"
"3704"	"56-75-7"	"DTXSID7020265"	"Chloramphenicol"	"EPA_DSSTox"	"OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O"	"[O-][N+](=O)C1C=CC(=CC=1)C(O)C(CO)NC(=O)C(Cl)Cl"	"?"	"InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)"	"WIIZWVCIJKGZOK-UHFFFAOYSA-N"	"2500.0"	"3"	"5"	"FALSE"	"TRUE"
"3705"	"54-31-9"	"DTXSID6020648"	"Furosemide"	"EPA_DSSTox"	"NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CO2)C(=C1)C(O)=O"	"NS(=O)(=O)C1=CC(C(O)=O)=C(C=C1Cl)NCC1=CC=CO1"	"?"	"InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)"	"ZZUFCTLCJUWOSV-UHFFFAOYSA-N"	"2600.0"	"3"	"5"	"FALSE"	"TRUE"
"3706"	"133-07-3"	"DTXSID0021385"	"Folpet"	"EPA_DSSTox"	"ClC(Cl)(Cl)SN1C(=O)C2=C(C=CC=C2)C1=O"	"O=C1C2C=CC=CC=2C(=O)N1SC(Cl)(Cl)Cl"	"?"	"InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H"	"HKIOYBQGHSTUDB-UHFFFAOYSA-N"	"2636.0"	"3"	"5"	"FALSE"	"TRUE"
"3707"	"109-65-9"	"DTXSID6021903"	"1-Bromobutane"	"EPA_DSSTox"	"CCCCBr"	"CCCCBr"	"?"	"InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3"	"MPPPKRYCTPRNTB-UHFFFAOYSA-N"	"2761.0"	"3"	"5"	"FALSE"	"TRUE"
"3708"	"23386-52-9"	"DTXSID8027826"	"Dicyclohexyl sodium sulfosuccinate"	"EPA_DSSTox"	"[Na+].[O-]S(=O)(=O)C(CC(=O)OC1CCCCC1)C(=O)OC1CCCCC1"	"OS(=O)(=O)C(CC(=O)OC1CCCCC1)C(=O)OC1CCCCC1"	"[Na+]"	"InChI=1S/C16H26O7S/c17-15(22-12-7-3-1-4-8-12)11-14(24(19,20)21)16(18)23-13-9-5-2-6-10-13/h12-14H,1-11H2,(H,19,20,21)"	"QPSVFNQMURAADJ-UHFFFAOYSA-N"	"2830.0"	"3"	"5"	"FALSE"	"TRUE"
"3709"	"108-05-4"	"DTXSID3021431"	"Vinyl acetate"	"EPA_DSSTox"	"CC(=O)OC=C"	"CC(=O)OC=C"	"?"	"InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3"	"XTXRWKRVRITETP-UHFFFAOYSA-N"	"2900.0"	"3"	"5"	"FALSE"	"TRUE"
"3710"	"5281-13-0"	"DTXSID0042296"	"Piprotal"	"EPA_DSSTox"	"CCCCOCCOCCOC(OCCOCCOCCCC)C1=CC=C2OCOC2=C1"	"CCCCOCCOCCOC(OCCOCCOCCCC)C1=CC2OCOC=2C=C1"	"?"	"InChI=1S/C24H40O8/c1-3-5-9-25-11-13-27-15-17-29-24(21-7-8-22-23(19-21)32-20-31-22)30-18-16-28-14-12-26-10-6-4-2/h7-8,19,24H,3-6,9-18,20H2,1-2H3"	"XNRCGJVOJYKMSA-UHFFFAOYSA-N"	"2939.0"	"3"	"5"	"FALSE"	"TRUE"
"3711"	"29091-05-2"	"DTXSID9040265"	"Dinitramine"	"EPA_DSSTox"	"CCN(CC)C1=C(C=C(C(N)=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O"	"CCN(CC)C1C(=CC(=C(N)C=1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O"	"?"	"InChI=1S/C11H13F3N4O4/c1-3-16(4-2)9-7(17(19)20)5-6(11(12,13)14)8(15)10(9)18(21)22/h5H,3-4,15H2,1-2H3"	"OFDYMSKSGFSLLM-UHFFFAOYSA-N"	"3000.0"	"3"	"5"	"FALSE"	"TRUE"
"3712"	"142-62-1"	"DTXSID7021607"	"Hexanoic acid"	"EPA_DSSTox"	"CCCCCC(O)=O"	"CCCCCC(O)=O"	"?"	"InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)"	"FUZZWVXGSFPDMH-UHFFFAOYSA-N"	"3000.0"	"3"	"5"	"FALSE"	"TRUE"
"3713"	"868-85-9"	"DTXSID5020493"	"Dimethyl hydrogen phosphite"	"EPA_DSSTox"	"COP(=O)OC"	"COP(=O)OC"	"?"	"InChI=1S/C2H7O3P/c1-4-6(3)5-2/h6H,1-2H3"	"HZCDANOFLILNSA-UHFFFAOYSA-N"	"3040.0"	"3"	"5"	"FALSE"	"TRUE"
"3714"	"3634-83-1"	"DTXSID5038919"	"1,3-Bis(isocyanatomethyl)benzene"	"EPA_DSSTox"	"O=C=NCC1=CC(CN=C=O)=CC=C1"	"O=C=NCC1C=C(CN=C=O)C=CC=1"	"?"	"InChI=1S/C10H8N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h1-4H,5-6H2"	"RTTZISZSHSCFRH-UHFFFAOYSA-N"	"3200.0"	"3"	"5"	"FALSE"	"TRUE"
"3715"	"5435-64-3"	"DTXSID6047107"	"3,5,5-Trimethylhexanal"	"EPA_DSSTox"	"CC(CC=O)CC(C)(C)C"	"CC(CC=O)CC(C)(C)C"	"?"	"InChI=1S/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H3"	"WTPYRCJDOZVZON-UHFFFAOYSA-N"	"3240.0"	"3"	"5"	"FALSE"	"TRUE"
"3716"	"64-19-7"	"DTXSID5024394"	"Acetic acid"	"EPA_DSSTox"	"CC(O)=O"	"CC(O)=O"	"?"	"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)"	"QTBSBXVTEAMEQO-UHFFFAOYSA-N"	"3310.0"	"3"	"5"	"FALSE"	"TRUE"
"3717"	"100-41-4"	"DTXSID3020596"	"Ethylbenzene"	"EPA_DSSTox"	"CCC1=CC=CC=C1"	"CCC1C=CC=CC=1"	"?"	"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3"	"YNQLUTRBYVCPMQ-UHFFFAOYSA-N"	"3500.0"	"3"	"5"	"FALSE"	"TRUE"
"3718"	"106-42-3"	"DTXSID2021868"	"p-Xylene"	"EPA_DSSTox"	"CC1=CC=C(C)C=C1"	"CC1C=CC(C)=CC=1"	"?"	"InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3"	"URLKBWYHVLBVBO-UHFFFAOYSA-N"	"3523.0"	"3"	"5"	"FALSE"	"TRUE"
"3719"	"17636-10-1"	"DTXSID6066232"	"1-Propanesulfonic acid, 3-mercapto-, monosodium salt"	"EPA_DSSTox"	"[Na+].[O-]S(=O)(=O)CCCS"	"OS(=O)(=O)CCCS"	"[Na+]"	"InChI=1S/C3H8O3S2/c4-8(5,6)3-1-2-7/h7H,1-3H2,(H,4,5,6)"	"OBDVFOBWBHMJDG-UHFFFAOYSA-N"	"3720.0"	"3"	"5"	"FALSE"	"TRUE"
"3720"	"118-75-2"	"DTXSID2020266"	"Chloranil"	"EPA_DSSTox"	"ClC1=C(Cl)C(=O)C(Cl)=C(Cl)C1=O"	"O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl"	"?"	"InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11"	"UGNWTBMOAKPKBL-UHFFFAOYSA-N"	"4000.0"	"3"	"5"	"FALSE"	"TRUE"
"3721"	"603-50-9"	"DTXSID1022681"	"Bisacodyl"	"EPA_DSSTox"	"CC(=O)OC1=CC=C(C=C1)C(C1=CC=C(OC(C)=O)C=C1)C1=NC=CC=C1"	"CC(=O)OC1C=CC(=CC=1)C(C1C=CC=CN=1)C1C=CC(=CC=1)OC(C)=O"	"?"	"InChI=1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3"	"KHOITXIGCFIULA-UHFFFAOYSA-N"	"4300.0"	"3"	"5"	"FALSE"	"TRUE"
"3722"	"32388-55-9"	"DTXSID4029353"	"1-Cedr-8-en-9-ylethanone"	"EPA_DSSTox"	"C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC(C(C)=O)=C3C"	"CC1(C)C2CC3(CC(C(C)=O)=C2C)C1CCC3C"	"?"	"InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3"	"YBUIAJZFOGJGLJ-UHFFFAOYSA-N"	"4500.0"	"3"	"5"	"FALSE"	"TRUE"
"3723"	"114-07-8"	"DTXSID4022991"	"Erythromycin"	"EPA_DSSTox"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O"	"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"	"?"	"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"	"4600.0"	"3"	"5"	"FALSE"	"TRUE"
"3724"	"79-01-6"	"DTXSID0021383"	"Trichloroethylene"	"EPA_DSSTox"	"ClC=C(Cl)Cl"	"ClC=C(Cl)Cl"	"?"	"InChI=1S/C2HCl3/c3-1-2(4)5/h1H"	"XSTXAVWGXDQKEL-UHFFFAOYSA-N"	"4920.0"	"3"	"5"	"FALSE"	"TRUE"
"3725"	"868-77-9"	"DTXSID7022128"	"2-Hydroxyethyl methacrylate"	"EPA_DSSTox"	"CC(=C)C(=O)OCCO"	"CC(=C)C(=O)OCCO"	"?"	"InChI=1S/C6H10O3/c1-5(2)6(8)9-4-3-7/h7H,1,3-4H2,2H3"	"WOBHKFSMXKNTIM-UHFFFAOYSA-N"	"5050.0"	"4"	"5"	"FALSE"	"TRUE"
"3726"	"112-49-2"	"DTXSID8026224"	"Triethylene glycol dimethyl ether"	"EPA_DSSTox"	"COCCOCCOCCOC"	"COCCOCCOCCOC"	"?"	"InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3"	"YFNKIDBQEZZDLK-UHFFFAOYSA-N"	"5390.0"	"4"	"5"	"FALSE"	"TRUE"
"3727"	"919-31-3"	"DTXSID7027334"	"3-(Triethoxysilyl)propionitrile"	"EPA_DSSTox"	"CCO[Si](CCC#N)(OCC)OCC"	"CCO[Si](CCC#N)(OCC)OCC"	"?"	"InChI=1S/C9H19NO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-7,9H2,1-3H3"	"GBQYMXVQHATSCC-UHFFFAOYSA-N"	"5600.0"	"4"	"5"	"FALSE"	"TRUE"
"3728"	"77-93-0"	"DTXSID0040701"	"Triethyl citrate"	"EPA_DSSTox"	"CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC"	"CCOC(=O)C(O)(CC(=O)OCC)CC(=O)OCC"	"?"	"InChI=1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3"	"DOOTYTYQINUNNV-UHFFFAOYSA-N"	"5900.0"	"4"	"5"	"FALSE"	"TRUE"
"3729"	"25339-17-7"			"Public_CrossChecked"	"CC(C)CCCCCCCO"	"CC(C)CCCCCCCO"	"?"	"InChI=1S/C10H22O/c1-10(2)8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3"	"PLLBRTOLHQQAQQ-UHFFFAOYSA-N"	"6400.0"	"4"	"5"	"FALSE"	"TRUE"
"3730"	"23564-05-8"	"DTXSID1024338"	"Thiophanate-methyl"	"EPA_DSSTox"	"COC(=O)NC(=S)NC1=C(NC(=S)NC(=O)OC)C=CC=C1"	"COC(=O)NC(=S)NC1C=CC=CC=1NC(=S)NC(=O)OC"	"?"	"InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)"	"QGHREAKMXXNCOA-UHFFFAOYSA-N"	"6640.0"	"4"	"5"	"FALSE"	"TRUE"
"3731"	"20592-85-2"	"DTXSID4027812"	"Phosphonic acid, [nitrilotris(methylene)]tris-, sodium salt"	"EPA_DSSTox"	"[Na+].OP(O)(=O)CN(CP(O)(O)=O)CP(O)([O-])=O"	"OP(O)(=O)CN(CP(O)(O)=O)CP(O)(O)=O"	"[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"	"7130.0"	"4"	"5"	"FALSE"	"TRUE"
"3732"	"498-66-8"	"DTXSID2022042"	"Norbornylene"	"EPA_DSSTox"	"C1CC2CC1C=C2"	"C1C2CCC1C=C2"	"?"	"InChI=1S/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2"	"JFNLZVQOOSMTJK-UHFFFAOYSA-N"	"9577.0"	"4"	"5"	"FALSE"	"TRUE"
"3733"	"111-11-5"	"DTXSID2026864"	"Methyl octanoate"	"EPA_DSSTox"	"CCCCCCCC(=O)OC"	"CCCCCCCC(=O)OC"	"?"	"InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3"	"JGHZJRVDZXSNKQ-UHFFFAOYSA-N"	"10080.0"	"4"	"5"	"FALSE"	"TRUE"
"3734"	"41098-56-0"	"DTXSID3041249"	"1,4-Benzenedisulfonic acid, 2,2'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-(diethylamino)-1,3,5-triazine-4,2-diyl]imino]]bis-, hexasodium salt"	"EPA_DSSTox"	"[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CCN(CC)C1=NC(NC2=C(C=CC(=C2)S([O-])(=O)=O)S([O-])(=O)=O)=NC(NC2=CC(=C(\C=C\C3=C(C=C(NC4=NC(=NC(NC5=C(C=CC(=C5)S([O-])(=O)=O)S([O-])(=O)=O)=N4)N(CC)CC)C=C3)S([O-])(=O)=O)C=C2)S([O-])(=O)=O)=N1"	"CCN(CC)C1=NC(NC2C=C(C=CC=2S(O)(=O)=O)S(O)(=O)=O)=NC(NC2C=C(C(C=CC3=CC=C(C=C3S(O)(=O)=O)NC3N=C(NC4=CC(=CC=C4S(O)(=O)=O)S(O)(=O)=O)N=C(N=3)N(CC)CC)=CC=2)S(O)(=O)=O)=N1"	"[Na+].[Na+].[Na+].[Na+]"	"InChI=1S/C40H44N12O18S6/c1-5-51(6-2)39-47-35(45-37(49-39)43-29-21-27(71(53,54)55)15-17-31(29)73(59,60)61)41-25-13-11-23(33(19-25)75(65,66)67)9-10-24-12-14-26(20-34(24)76(68,69)70)42-36-46-38(50-40(48-36)52(7-3)8-4)44-30-22-28(72(56,57)58)16-18-32(30)74(62,63)64/h9-22H,5-8H2,1-4H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H2,41,43,45,47,49)(H2,42,44,46,48,50)"	"HVAQQSVRRRNRFN-UHFFFAOYSA-N"	"11320.0"	"4"	"5"	"FALSE"	"TRUE"
"3735"	"121-57-3"	"DTXSID6024464"	"4-Aminobenzenesulfonic acid"	"EPA_DSSTox"	"NC1=CC=C(C=C1)S(O)(=O)=O"	"NC1=CC=C(C=C1)S(O)(=O)=O"	"?"	"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"	"12300.0"	"4"	"5"	"FALSE"	"TRUE"
"3736"	"115-95-7"	"DTXSID7026946"	"Linalyl acetate"	"EPA_DSSTox"	"CC(C)=CCCC(C)(OC(C)=O)C=C"	"CC(C)=CCCC(C)(C=C)OC(C)=O"	"?"	"InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3"	"UWKAYLJWKGQEPM-UHFFFAOYSA-N"	"13934.0"	"4"	"5"	"FALSE"	"TRUE"
"3737"	"109-43-3"	"DTXSID1041847"	"Dibutyl decanedioate"	"EPA_DSSTox"	"CCCCOC(=O)CCCCCCCCC(=O)OCCCC"	"CCCCOC(=O)CCCCCCCCC(=O)OCCCC"	"?"	"InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3"	"PYGXAGIECVVIOZ-UHFFFAOYSA-N"	"14870.0"	"4"	"5"	"FALSE"	"TRUE"
"3738"	"107-88-0"	"DTXSID8026773"	"1,3-Butanediol"	"EPA_DSSTox"	"CC(O)CCO"	"CC(O)CCO"	"?"	"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3"	"PUPZLCDOIYMWBV-UHFFFAOYSA-N"	"18610.0"	"4"	"5"	"FALSE"	"TRUE"
"3739"	"112-80-1"	"DTXSID1025809"	"Oleic acid"	"EPA_DSSTox"	"CCCCCCCC\C=C/CCCCCCCC(O)=O"	"CCCCCCCCC=CCCCCCCCC(O)=O"	"?"	"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)"	"ZQPPMHVWECSIRJ-UHFFFAOYSA-N"	"25000.0"	"4"	"5"	"FALSE"	"TRUE"
"3740"	"351197-46-1"	"DTXSID60698427"	"2-[2-(Dimethylamino)ethoxy]ethyl ({5-[({2-[2-(dimethylamino)ethoxy]ethoxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)carbamate"	"EPA_DSSTox"	"CN(C)CCOCCOC(=O)NCC1(C)CC(CC(C)(C)C1)NC(=O)OCCOCCN(C)C"	"CC1(C)CC(CC(C)(C1)CNC(=O)OCCOCCN(C)C)NC(=O)OCCOCCN(C)C"	"?"	"InChI=1S/C24H48N4O6/c1-23(2)16-20(26-22(30)34-15-13-32-11-9-28(6)7)17-24(3,18-23)19-25-21(29)33-14-12-31-10-8-27(4)5/h20H,8-19H2,1-7H3,(H,25,29)(H,26,30)"	"ALANNFAXTFZBEG-UHFFFAOYSA-N"				"FALSE"	"FALSE"
"3741"	"7379-51-3"	"DTXSID9041497"	"4-(Methylthio)-3,5-xylenol"	"EPA_DSSTox"	"CSC1=C(C)C=C(O)C=C1C"	"CC1C=C(O)C=C(C)C=1SC"	"?"	"InChI=1S/C9H12OS/c1-6-4-8(10)5-7(2)9(6)11-3/h4-5,10H,1-3H3"	"JGFZITGNFAVSKU-UHFFFAOYSA-N"				"FALSE"	"NA"
"3742"	"3089-17-6"	"DTXSID1029253"	"Quino[2,3-b]acridine-7,14-dione, 2,9-dichloro-5,12-dihydro-"	"EPA_DSSTox"	"ClC1=CC2=C(NC3=CC4=C(NC5=C(C=C(Cl)C=C5)C4=O)C=C3C2=O)C=C1"	"O=C1C2C=C3NC4C=CC(Cl)=CC=4C(=O)C3=CC=2NC2C=CC(Cl)=CC1=2"	"?"	"InChI=1S/C20H10Cl2N2O2/c21-9-1-3-15-11(5-9)19(25)13-8-18-14(7-17(13)23-15)20(26)12-6-10(22)2-4-16(12)24-18/h1-8H,(H,23,25)(H,24,26)"	"XPZQBGDNVOHQIS-UHFFFAOYSA-N"			"5"	"FALSE"	"TRUE"
"3743"	"93839-71-5"	"DTXSID70239744"	"4-(((2-Aminophenyl)methyl)amino)cyclohexyl acetate"	"EPA_DSSTox"	"CC(=O)OC1CCC(CC1)NCC1=CC=CC=C1N"	"CC(=O)OC1CCC(CC1)NCC1=CC=CC=C1N"	"?"	"InChI=1S/C15H22N2O2/c1-11(18)19-14-8-6-13(7-9-14)17-10-12-4-2-3-5-15(12)16/h2-5,13-14,17H,6-10,16H2,1H3"	"VPLIJSLZFWAYSJ-UHFFFAOYSA-N"		"3"	"5"	"FALSE"	"TRUE"
"3744"	"13071-79-9"	"DTXSID2022254"	"Terbufos"	"EPA_DSSTox"	"CCOP(=S)(OCC)SCSC(C)(C)C"	"CC(C)(C)SCSP(=S)(OCC)OCC"	"?"	"InChI=1S/C9H21O2PS3/c1-6-10-12(13,11-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3"	"XLNZEKHULJKQBA-UHFFFAOYSA-N"	"1.6"	"1"	"1"	"TRUE"	"FALSE"
"3745"	"944-22-9"	"DTXSID2024113"	"Fonofos"	"EPA_DSSTox"	"CCOP(=S)(CC)SC1=CC=CC=C1"	"CCP(=S)(OCC)SC1C=CC=CC=1"	"?"	"InChI=1S/C10H15OPS2/c1-3-11-12(13,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3"	"KVGLBTYUCJYMND-UHFFFAOYSA-N"	"3.0"	"1"	"1"	"TRUE"	"FALSE"
"3746"	"53558-25-1"	"DTXSID1042360"	"Pyrinuron"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC=C(NC(=O)NCC2=CC=CN=C2)C=C1"	"[O-][N+](=O)C1C=CC(=CC=1)NC(=O)NCC1=CN=CC=C1"	"?"	"InChI=1S/C13H12N4O3/c18-13(15-9-10-2-1-7-14-8-10)16-11-3-5-12(6-4-11)17(19)20/h1-8H,9H2,(H2,15,16,18)"	"CLKZWXHKFXZIMA-UHFFFAOYSA-N"	"4.75"	"1"	"1"	"TRUE"	"FALSE"
"3747"	"786-19-6"	"DTXSID7022120"	"Carbophenothion"	"EPA_DSSTox"	"CCOP(=S)(OCC)SCSC1=CC=C(Cl)C=C1"	"CCOP(=S)(OCC)SCSC1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C11H16ClO2PS3/c1-3-13-15(16,14-4-2)18-9-17-11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3"	"VEDTXTNSFWUXGQ-UHFFFAOYSA-N"	"6.8"	"1"	"2"	"TRUE"	"FALSE"
"3748"	"109-77-3"	"DTXSID6021907"	"Propanedinitrile"	"EPA_DSSTox"	"N#CCC#N"	"N#CCC#N"	"?"	"InChI=1S/C3H2N2/c4-2-1-3-5/h1H2"	"CUONGYYJJVDODC-UHFFFAOYSA-N"	"14.0"	"1"	"2"	"TRUE"	"FALSE"
"3749"	"75-86-5"	"DTXSID7025427"	"2-Hydroxy-2-methylpropanenitrile"	"EPA_DSSTox"	"CC(C)(O)C#N"	"CC(C)(O)C#N"	"?"	"InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3"	"MWFMGBPGAXYFAR-UHFFFAOYSA-N"	"18.65"	"1"	"2"	"TRUE"	"FALSE"
"3750"	"62-56-6"	"DTXSID9021348"	"Thiourea"	"EPA_DSSTox"	"NC(N)=S"	"NC(N)=S"	"?"	"InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)"	"UMGDCJDMYOKAJW-UHFFFAOYSA-N"	"20.0"	"1"	"2"	"TRUE"	"FALSE"
"3751"	"732-11-6"	"DTXSID5024261"	"Phosmet"	"EPA_DSSTox"	"COP(=S)(OC)SCN1C(=O)C2=C(C=CC=C2)C1=O"	"COP(=S)(OC)SCN1C(=O)C2C=CC=CC=2C1=O"	"?"	"InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3"	"LMNZTLDVJIUSHT-UHFFFAOYSA-N"	"26.0"	"1"	"2"	"TRUE"	"FALSE"
"3752"	"95465-99-9"	"DTXSID7037505"	"Cadusafos"	"EPA_DSSTox"	"CCOP(=O)(SC(C)CC)SC(C)CC"	"CC(CC)SP(=O)(OCC)SC(C)CC"	"?"	"InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3"	"KXRPCFINVWWFHQ-UHFFFAOYSA-N"	"37.1"	"1"	"2"	"TRUE"	"FALSE"
"3753"	"75-57-0"	"DTXSID6021749"	"Tetramethylammonium chloride"	"EPA_DSSTox"	"[Cl-].C[N+](C)(C)C"	"C[N+](C)(C)C"	"[Cl-]"	"InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1"	"QEMXHQIAXOOASZ-UHFFFAOYSA-N"	"47.0"	"1"	"2"	"TRUE"	"FALSE"
"3754"	"105-39-5"	"DTXSID4026715"	"Ethyl chloroacetate"	"EPA_DSSTox"	"CCOC(=O)CCl"	"CCOC(=O)CCl"	"?"	"InChI=1S/C4H7ClO2/c1-2-7-4(6)3-5/h2-3H2,1H3"	"VEUUMBGHMNQHGO-UHFFFAOYSA-N"	"50.0"	"1"	"2"	"TRUE"	"FALSE"
"3755"	"35400-43-2"	"DTXSID8032675"	"Sulprofos"	"EPA_DSSTox"	"CCCSP(=S)(OCC)OC1=CC=C(SC)C=C1"	"CSC1=CC=C(C=C1)OP(=S)(OCC)SCCC"	"?"	"InChI=1S/C12H19O2PS3/c1-4-10-18-15(16,13-5-2)14-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3"	"JXHJNEJVUNHLKO-UHFFFAOYSA-N"	"65.0"	"2"	"3"	"FALSE"	"FALSE"
"3756"	"95-53-4"	"DTXSID1026164"	"2-Methylaniline"	"EPA_DSSTox"	"CC1=C(N)C=CC=C1"	"CC1C=CC=CC=1N"	"?"	"InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3"	"RNVCVTLRINQCPJ-UHFFFAOYSA-N"	"75.0"	"2"	"3"	"FALSE"	"FALSE"
"3757"	"66841-25-6"	"DTXSID0024343"	"Tralomethrin"	"EPA_DSSTox"	"CC1(C)[C@@H](C(Br)C(Br)(Br)Br)[C@H]1C(=O)O[C@H](C#N)C1=CC(OC2=CC=CC=C2)=CC=C1"	"CC1(C)C(C1C(=O)OC(C#N)C1C=CC=C(C=1)OC1C=CC=CC=1)C(Br)C(Br)(Br)Br"	"?"	"InChI=1S/C22H19Br4NO3/c1-21(2)17(19(23)22(24,25)26)18(21)20(28)30-16(12-27)13-7-6-10-15(11-13)29-14-8-4-3-5-9-14/h3-11,16-19H,1-2H3"	"YWSCPYYRJXKUDB-UHFFFAOYSA-N"	"99.0"	"2"	"3"	"FALSE"	"FALSE"
"3758"	"120928-09-8"	"DTXSID4040476"	"Fenazaquin"	"EPA_DSSTox"	"CC(C)(C)C1=CC=C(CCOC2=NC=NC3=C2C=CC=C3)C=C1"	"CC(C)(C)C1=CC=C(CCOC2=NC=NC3C=CC=CC=32)C=C1"	"?"	"InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3"	"DMYHGDXADUDKCQ-UHFFFAOYSA-N"	"134.0"	"2"	"3"	"FALSE"	"FALSE"
"3759"	"75-89-8"	"DTXSID0021751"	"2,2,2-Trifluoroethanol"	"EPA_DSSTox"	"OCC(F)(F)F"	"OCC(F)(F)F"	"?"	"InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2"	"RHQDFWAXVIIEBN-UHFFFAOYSA-N"	"153.0"	"2"	"3"	"FALSE"	"FALSE"
"3760"	"4553-62-2"	"DTXSID4025612"	"2-Methylpentanedinitrile"	"EPA_DSSTox"	"CC(CCC#N)C#N"	"CC(CCC#N)C#N"	"?"	"InChI=1S/C6H8N2/c1-6(5-8)3-2-4-7/h6H,2-3H2,1H3"	"FPPLREPCQJZDAQ-UHFFFAOYSA-N"	"170.0"	"2"	"3"	"FALSE"	"FALSE"
"3761"	"52-51-7"	"DTXSID8024652"	"Bronopol"	"EPA_DSSTox"	"OCC(Br)(CO)[N+]([O-])=O"	"[O-][N+](=O)C(Br)(CO)CO"	"?"	"InChI=1S/C3H6BrNO4/c4-3(1-6,2-7)5(8)9/h6-7H,1-2H2"	"LVDKZNITIUWNER-UHFFFAOYSA-N"	"180.0"	"2"	"3"	"FALSE"	"FALSE"
"3762"	"25899-50-7"	"DTXSID2027884"	"(2Z)-2-Pentenenitrile"	"EPA_DSSTox"	"CC\C=C/C#N"	"CCC=CC#N"	"?"	"InChI=1S/C5H7N/c1-2-3-4-5-6/h3-4H,2H2,1H3"	"ISBHMJZRKAFTGE-UHFFFAOYSA-N"	"198.0"	"2"	"3"	"FALSE"	"FALSE"
"3763"	"2162-74-5"	"DTXSID5051862"	"Bis(2,6-diisopropylphenyl)carbodiimide"	"EPA_DSSTox"	"CC(C)C1=CC=CC(C(C)C)=C1N=C=NC1=C(C=CC=C1C(C)C)C(C)C"	"CC(C)C1C=CC=C(C(C)C)C=1N=C=NC1C(=CC=CC=1C(C)C)C(C)C"	"?"	"InChI=1S/C25H34N2/c1-16(2)20-11-9-12-21(17(3)4)24(20)26-15-27-25-22(18(5)6)13-10-14-23(25)19(7)8/h9-14,16-19H,1-8H3"	"XLDBGFGREOMWSL-UHFFFAOYSA-N"	"200.0"	"2"	"3"	"FALSE"	"FALSE"
"3764"	"142-19-8"	"DTXSID3044754"	"Prop-2-en-1-yl heptanoate"	"EPA_DSSTox"	"CCCCCCC(=O)OCC=C"	"CCCCCCC(=O)OCC=C"	"?"	"InChI=1S/C10H18O2/c1-3-5-6-7-8-10(11)12-9-4-2/h4H,2-3,5-9H2,1H3"	"SJWKGDGUQTWDRV-UHFFFAOYSA-N"	"218.0"	"2"	"3"	"FALSE"	"FALSE"
"3765"	"111-18-2"	"DTXSID5033701"	"N,N,N',N`-Tetramethylhexanediamine"	"EPA_DSSTox"	"CN(C)CCCCCCN(C)C"	"CN(C)CCCCCCN(C)C"	"?"	"InChI=1S/C10H24N2/c1-11(2)9-7-5-6-8-10-12(3)4/h5-10H2,1-4H3"	"TXXWBTOATXBWDR-UHFFFAOYSA-N"	"238.0"	"2"	"3"	"FALSE"	"FALSE"
"3766"	"439-14-5"	"DTXSID4020406"	"Diazepam"	"EPA_DSSTox"	"CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1"	"CN1C(=O)CN=C(C2C=C(Cl)C=CC1=2)C1C=CC=CC=1"	"?"	"InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3"	"AAOVKJBEBIDNHE-UHFFFAOYSA-N"	"249.0"	"2"	"3"	"FALSE"	"FALSE"
"3767"	"117-18-0"	"DTXSID0026098"	"2,3,5,6-Tetrachloronitrobenzene"	"EPA_DSSTox"	"[O-][N+](=O)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl"	"[O-][N+](=O)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl"	"?"	"InChI=1S/C6HCl4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H"	"XQTLDIFVVHJORV-UHFFFAOYSA-N"	"250.0"	"2"	"3"	"FALSE"	"FALSE"
"3768"	"741-58-2"	"DTXSID9032329"	"Bensulide"	"EPA_DSSTox"	"CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)C1=CC=CC=C1"	"CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)C1C=CC=CC=1"	"?"	"InChI=1S/C14H24NO4PS3/c1-12(2)18-20(21,19-13(3)4)22-11-10-15-23(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3"	"RRNIZKPFKNDSRS-UHFFFAOYSA-N"	"270.0"	"2"	"3"	"FALSE"	"FALSE"
"3769"	"106-91-2"	"DTXSID0025361"	"Glycidyl methacrylate"	"EPA_DSSTox"	"CC(=C)C(=O)OCC1CO1"	"CC(=C)C(=O)OCC1CO1"	"?"	"InChI=1S/C7H10O3/c1-5(2)7(8)10-4-6-3-9-6/h6H,1,3-4H2,2H3"	"VOZRXNHHFUQHIL-UHFFFAOYSA-N"	"290.0"	"2"	"3"	"FALSE"	"FALSE"
"3770"	"141-79-7"	"DTXSID1029170"	"4-Methylpent-3-en-2-one"	"EPA_DSSTox"	"CC(C)=CC(C)=O"	"CC(C)=CC(C)=O"	"?"	"InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3"	"SHOJXDKTYKFBRD-UHFFFAOYSA-N"	"300.0"	"2"	"4"	"FALSE"	"FALSE"
"3771"	"123-31-9"	"DTXSID7020716"	"Hydroquinone"	"EPA_DSSTox"	"OC1=CC=C(O)C=C1"	"OC1C=CC(O)=CC=1"	"?"	"InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H"	"QIGBRXMKCJKVMJ-UHFFFAOYSA-N"	"302.0"	"2"	"4"	"FALSE"	"FALSE"
"3772"	"94361-06-5"	"DTXSID0032601"	"Cyproconazole"	"EPA_DSSTox"	"CC(C1CC1)C(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1"	"CC(C1CC1)C(O)(CN1C=NC=N1)C1C=CC(Cl)=CC=1"	"?"	"InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3"	"UFNOUKDBUJZYDE-UHFFFAOYSA-N"	"350.0"	"2"	"4"	"FALSE"	"FALSE"
"3773"	"123-30-8"	"DTXSID3024499"	"4-Aminophenol"	"EPA_DSSTox"	"NC1=CC=C(O)C=C1"	"NC1=CC=C(O)C=C1"	"?"	"InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2"	"PLIKAWJENQZMHA-UHFFFAOYSA-N"	"375.0"	"2"	"4"	"FALSE"	"FALSE"
"3774"	"138261-41-3"	"DTXSID5032442"	"Imidacloprid"	"EPA_DSSTox"	"[O-][N+](=O)\N=C1/NCCN1CC1=CN=C(Cl)C=C1"	"[O-][N+](=O)/N=C1\NCCN\1CC1C=CC(Cl)=NC=1"	"?"	"InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)"	"YWTYJOPNNQFBPC-UHFFFAOYSA-N"	"410.0"	"2"	"4"	"FALSE"	"FALSE"
"3775"	"330-54-1"	"DTXSID0020446"	"Diuron"	"EPA_DSSTox"	"CN(C)C(=O)NC1=CC(Cl)=C(Cl)C=C1"	"CN(C)C(=O)NC1=CC(Cl)=C(Cl)C=C1"	"?"	"InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)"	"XMTQQYYKAHVGBJ-UHFFFAOYSA-N"	"437.0"	"2"	"4"	"FALSE"	"FALSE"
"3776"	"299-86-5"	"DTXSID1037515"	"Crufomate"	"EPA_DSSTox"	"CNP(=O)(OC)OC1=CC=C(C=C1Cl)C(C)(C)C"	"COP(=O)(NC)OC1C=CC(=CC=1Cl)C(C)(C)C"	"?"	"InChI=1S/C12H19ClNO3P/c1-12(2,3)9-6-7-11(10(13)8-9)17-18(15,14-4)16-5/h6-8H,1-5H3,(H,14,15)"	"BOFHKBLZOYVHSI-UHFFFAOYSA-N"	"460.0"	"2"	"4"	"FALSE"	"FALSE"
"3777"	"95-68-1"	"DTXSID8026305"	"2,4-Dimethylaniline"	"EPA_DSSTox"	"CC1=CC(C)=C(N)C=C1"	"CC1=CC(C)=C(N)C=C1"	"?"	"InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3"	"CZZZABOKJQXEBO-UHFFFAOYSA-N"	"467.0"	"2"	"4"	"FALSE"	"FALSE"
"3778"	"3425-61-4"	"DTXSID6029256"	"1,1-Dimethylpropyl hydroperoxide"	"EPA_DSSTox"	"CCC(C)(C)OO"	"CCC(C)(C)OO"	"?"	"InChI=1S/C5H12O2/c1-4-5(2,3)7-6/h6H,4H2,1-3H3"	"XRXANEMIFVRKLN-UHFFFAOYSA-N"	"483.0"	"2"	"4"	"FALSE"	"FALSE"
"3779"	"520-45-6"	"DTXSID6020014"	"Dehydroacetic acid"	"EPA_DSSTox"	"CC(=O)C1C(=O)OC(C)=CC1=O"	"CC(=O)C1C(=O)C=C(C)OC1=O"	"?"	"InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3"	"PGRHXDWITVMQBC-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"3780"	"97-77-8"	"DTXSID1021322"	"Disulfiram"	"EPA_DSSTox"	"CCN(CC)C(=S)SSC(=S)N(CC)CC"	"CCN(CC)C(=S)SSC(=S)N(CC)CC"	"?"	"InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3"	"AUZONCFQVSMFAP-UHFFFAOYSA-N"	"500.0"	"2"	"4"	"FALSE"	"FALSE"
"3781"	"3064-70-8"	"DTXSID3032331"	"Bis(trichloromethyl)sulfone"	"EPA_DSSTox"	"ClC(Cl)(Cl)S(=O)(=O)C(Cl)(Cl)Cl"	"O=S(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C2Cl6O2S/c3-1(4,5)11(9,10)2(6,7)8"	"YBNLWIZAWPBUKQ-UHFFFAOYSA-N"	"535.0"	"3"	"4"	"FALSE"	"FALSE"
"3782"	"1121-60-4"	"DTXSID1061522"	"2-Pyridinecarboxaldehyde"	"EPA_DSSTox"	"O=CC1=CC=CC=N1"	"O=CC1=CC=CC=N1"	"?"	"InChI=1S/C6H5NO/c8-5-6-3-1-2-4-7-6/h1-5H"	"CSDSSGBPEUDDEE-UHFFFAOYSA-N"	"566.0"	"3"	"4"	"FALSE"	"FALSE"
"3783"	"541-73-1"	"DTXSID6022056"	"1,3-Dichlorobenzene"	"EPA_DSSTox"	"ClC1=CC(Cl)=CC=C1"	"ClC1=CC(Cl)=CC=C1"	"?"	"InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H"	"ZPQOPVIELGIULI-UHFFFAOYSA-N"	"580.0"	"3"	"4"	"FALSE"	"FALSE"
"3784"	"299-84-3"	"DTXSID2034885"	"Fenchlorphos"	"EPA_DSSTox"	"COP(=S)(OC)OC1=C(Cl)C=C(Cl)C(Cl)=C1"	"COP(=S)(OC1=CC(Cl)=C(Cl)C=C1Cl)OC"	"?"	"InChI=1S/C8H8Cl3O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3"	"JHJOOSLFWRRSGU-UHFFFAOYSA-N"	"625.0"	"3"	"4"	"FALSE"	"FALSE"
"3785"	"1972-08-3"	"DTXSID6021327"	"1-trans-delta-9-Tetrahydrocannabinol"	"EPA_DSSTox"	"[H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)OC1=CC(CCCCC)=CC(O)=C21"	"CC1CCC2C(C=1)C1C(O)=CC(CCCCC)=CC=1OC2(C)C"	"?"	"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/h11-13,16-17,22H,5-10H2,1-4H3"	"CYQFCXCEBYINGO-UHFFFAOYSA-N"	"666.0"	"3"	"4"	"FALSE"	"FALSE"
"3786"	"55219-65-3"	"DTXSID0032493"	"Triadimenol"	"EPA_DSSTox"	"CC(C)(C)C(O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1"	"CC(C)(C)C(O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1"	"?"	"InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3"	"BAZVSMNPJJMILC-UHFFFAOYSA-N"	"689.0"	"3"	"4"	"FALSE"	"FALSE"
"3787"	"112-03-8"	"DTXSID1026902"	"N,N,N-Trimethyloctadecan-1-aminium chloride"	"EPA_DSSTox"	"[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)C"	"CCCCCCCCCCCCCCCCCC[N+](C)(C)C"	"[Cl-]"	"InChI=1S/C21H46N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4/h5-21H2,1-4H3/q+1"	"PDSVZUAJOIQXRK-UHFFFAOYSA-N"	"702.5"	"3"	"4"	"FALSE"	"FALSE"
"3788"	"112-18-5"	"DTXSID1026906"	"N,N-Dimethyldodecan-1-amine"	"EPA_DSSTox"	"CCCCCCCCCCCCN(C)C"	"CCCCCCCCCCCCN(C)C"	"?"	"InChI=1S/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3"	"YWFWDNVOPHGWMX-UHFFFAOYSA-N"	"740.0"	"3"	"4"	"FALSE"	"FALSE"
"3789"	"372-31-6"	"DTXSID5059905"	"Ethyl 4,4,4-trifluoroacetoacetate"	"EPA_DSSTox"	"CCOC(=O)CC(=O)C(F)(F)F"	"CCOC(=O)CC(=O)C(F)(F)F"	"?"	"InChI=1S/C6H7F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3"	"OCJKUQIPRNZDTK-UHFFFAOYSA-N"	"765.0"	"3"	"4"	"FALSE"	"FALSE"
"3790"	"91-53-2"	"DTXSID9020582"	"Ethoxyquin"	"EPA_DSSTox"	"CCOC1=CC2=C(NC(C)(C)C=C2C)C=C1"	"CC1=CC(C)(C)NC2C=CC(=CC1=2)OCC"	"?"	"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"	"800.0"	"3"	"4"	"FALSE"	"FALSE"
"3791"	"107-15-3"	"DTXSID5021881"	"Ethylenediamine"	"EPA_DSSTox"	"NCCN"	"NCCN"	"?"	"InChI=1S/C2H8N2/c3-1-2-4/h1-4H2"	"PIICEJLVQHRZGT-UHFFFAOYSA-N"	"841.0"	"3"	"4"	"FALSE"	"FALSE"
"3792"	"69-72-7"	"DTXSID7026368"	"Salicylic acid"	"EPA_DSSTox"	"OC(=O)C1=C(O)C=CC=C1"	"OC1C=CC=CC=1C(O)=O"	"?"	"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)"	"YGSDEFSMJLZEOE-UHFFFAOYSA-N"	"891.0"	"3"	"4"	"FALSE"	"FALSE"
"3793"	"109-70-6"	"DTXSID1051565"	"1-Bromo-3-chloropropane"	"EPA_DSSTox"	"ClCCCBr"	"ClCCCBr"	"?"	"InChI=1S/C3H6BrCl/c4-2-1-3-5/h1-3H2"	"MFESCIUQSIBMSM-UHFFFAOYSA-N"	"930.0"	"3"	"4"	"FALSE"	"FALSE"
"3794"	"16712-64-4"	"DTXSID3029312"	"6-Hydroxy-2-naphthoic acid"	"EPA_DSSTox"	"OC(=O)C1=CC2=C(C=C1)C=C(O)C=C2"	"OC1C=C2C=CC(=CC2=CC=1)C(O)=O"	"?"	"InChI=1S/C11H8O3/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6,12H,(H,13,14)"	"KAUQJMHLAFIZDU-UHFFFAOYSA-N"	"947.0"	"3"	"4"	"FALSE"	"FALSE"
"3795"	"78-84-2"	"DTXSID9021635"	"2-Methylpropanal"	"EPA_DSSTox"	"CC(C)C=O"	"CC(C)C=O"	"?"	"InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3"	"AMIMRNSIRUDHCM-UHFFFAOYSA-N"	"960.0"	"3"	"4"	"FALSE"	"FALSE"
"3796"	"110-73-6"	"DTXSID9021922"	"2-(Ethylamino)ethanol"	"EPA_DSSTox"	"CCNCCO"	"CCNCCO"	"?"	"InChI=1S/C4H11NO/c1-2-5-3-4-6/h5-6H,2-4H2,1H3"	"MIJDSYMOBYNHOT-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"3797"	"2402-79-1"	"DTXSID7027467"	"2,3,5,6-Tetrachloropyridine"	"EPA_DSSTox"	"ClC1=CC(Cl)=C(Cl)N=C1Cl"	"ClC1=CC(Cl)=C(Cl)N=C1Cl"	"?"	"InChI=1S/C5HCl4N/c6-2-1-3(7)5(9)10-4(2)8/h1H"	"FATBKZJZAHWCSL-UHFFFAOYSA-N"	"1000.0"	"3"	"4"	"FALSE"	"FALSE"
"3798"	"33629-47-9"	"DTXSID3032337"	"Butralin"	"EPA_DSSTox"	"CCC(C)NC1=C(C=C(C=C1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O"	"CCC(C)NC1C(=CC(=CC=1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O"	"?"	"InChI=1S/C14H21N3O4/c1-6-9(2)15-13-11(16(18)19)7-10(14(3,4)5)8-12(13)17(20)21/h7-9,15H,6H2,1-5H3"	"SPNQRCTZKIBOAX-UHFFFAOYSA-N"	"1049.0"	"3"	"4"	"FALSE"	"FALSE"
"3799"	"79-24-3"	"DTXSID8020969"	"Nitroethane"	"EPA_DSSTox"	"CC[N+]([O-])=O"	"CC[N+]([O-])=O"	"?"	"InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3"	"MCSAJNNLRCFZED-UHFFFAOYSA-N"	"1083.0"	"3"	"4"	"FALSE"	"FALSE"
"3800"	"694-83-7"	"DTXSID0027301"	"1,2-Cyclohexanediamine"	"EPA_DSSTox"	"NC1CCCCC1N"	"NC1CCCCC1N"	"?"	"InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2"	"SSJXIUAHEKJCMH-UHFFFAOYSA-N"	"1170.0"	"3"	"4"	"FALSE"	"FALSE"
"3801"	"124-07-2"	"DTXSID3021645"	"Octanoic acid"	"EPA_DSSTox"	"CCCCCCCC(O)=O"	"CCCCCCCC(O)=O"	"?"	"InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)"	"WWZKQHOCKIZLMA-UHFFFAOYSA-N"	"1283.0"	"3"	"4"	"FALSE"	"FALSE"
"3802"	"9016-45-9"			"Public_CrossChecked"	"CCCCCCCCCc1ccc(OCCOCCO)cc1"	"CCCCCCCCCC1C=CC(=CC=1)OCCOCCO"	"?"	"InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)22-17-16-21-15-14-20/h10-13,20H,2-9,14-17H2,1H3"	"BLXVTZPGEOGTGG-UHFFFAOYSA-N"	"1310.0"	"3"	"4"	"FALSE"	"FALSE"
"3803"	"8000-34-8"			"Public_CrossChecked"	"Cl.COC(=O)C(N)CC1=CN=CN1"	"COC(=O)C(N)CC1=CNC=N1"	"Cl"	"InChI=1S/C7H11N3O2/c1-12-7(11)6(8)2-5-3-9-4-10-5/h3-4,6H,2,8H2,1H3,(H,9,10)"	"BXRMEWOQUXOLDH-UHFFFAOYSA-N"	"1370.0"	"3"	"4"	"FALSE"	"FALSE"
"3804"	"98-82-8"	"DTXSID1021827"	"Cumene"	"EPA_DSSTox"	"CC(C)C1=CC=CC=C1"	"CC(C)C1C=CC=CC=1"	"?"	"InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3"	"RWGFKTVRMDUZSP-UHFFFAOYSA-N"	"1400.0"	"3"	"4"	"FALSE"	"FALSE"
"3805"	"5915-41-3"	"DTXSID4027608"	"Terbuthylazine"	"EPA_DSSTox"	"CCNC1=NC(NC(C)(C)C)=NC(Cl)=N1"	"CCNC1N=C(Cl)N=C(NC(C)(C)C)N=1"	"?"	"InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)"	"FZXISNSWEXTPMF-UHFFFAOYSA-N"	"1503.0"	"3"	"4"	"FALSE"	"FALSE"
"3806"	"4253-34-3"	"DTXSID0027565"	"Methylsilanetriyl triacetate"	"EPA_DSSTox"	"CC(=O)O[Si](C)(OC(C)=O)OC(C)=O"	"C[Si](OC(C)=O)(OC(C)=O)OC(C)=O"	"?"	"InChI=1S/C7H12O6Si/c1-5(8)11-14(4,12-6(2)9)13-7(3)10/h1-4H3"	"TVJPBVNWVPUZBM-UHFFFAOYSA-N"	"1550.0"	"3"	"4"	"FALSE"	"FALSE"
"3807"	"92-15-9"	"DTXSID9026558"	"N-(2-Methoxyphenyl)-3-oxobutanamide"	"EPA_DSSTox"	"COC1=C(NC(=O)CC(C)=O)C=CC=C1"	"CC(=O)CC(=O)NC1C=CC=CC=1OC"	"?"	"InChI=1S/C11H13NO3/c1-8(13)7-11(14)12-9-5-3-4-6-10(9)15-2/h3-6H,7H2,1-2H3,(H,12,14)"	"KYYRTDXOHQYZPO-UHFFFAOYSA-N"	"1600.0"	"3"	"4"	"FALSE"	"FALSE"
"3808"	"60-12-8"	"DTXSID9026342"	"2-Phenylethanol"	"EPA_DSSTox"	"OCCC1=CC=CC=C1"	"OCCC1C=CC=CC=1"	"?"	"InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2"	"WRMNZCZEMHIOCP-UHFFFAOYSA-N"	"1603.3"	"3"	"4"	"FALSE"	"FALSE"
"3809"	"7005-47-2"	"DTXSID6044721"	"2-(Dimethylamino)-2-methylpropan-1-ol"	"EPA_DSSTox"	"CN(C)C(C)(C)CO"	"CN(C)C(C)(C)CO"	"?"	"InChI=1S/C6H15NO/c1-6(2,5-8)7(3)4/h8H,5H2,1-4H3"	"XRIBIDPMFSLGFS-UHFFFAOYSA-N"	"1656.0"	"3"	"4"	"FALSE"	"FALSE"
"3810"	"110-01-0"	"DTXSID3047760"	"Tetrahydrothiophene"	"EPA_DSSTox"	"C1CCSC1"	"C1CCCS1"	"?"	"InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2"	"RAOIDOHSFRTOEL-UHFFFAOYSA-N"	"1750.0"	"3"	"4"	"FALSE"	"FALSE"
"3811"	"59-50-7"	"DTXSID4021717"	"4-Chloro-3-methylphenol"	"EPA_DSSTox"	"CC1=C(Cl)C=CC(O)=C1"	"CC1C=C(O)C=CC=1Cl"	"?"	"InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3"	"CFKMVGJGLGKFKI-UHFFFAOYSA-N"	"1830.0"	"3"	"4"	"FALSE"	"FALSE"
"3812"	"577-11-7"	"DTXSID8022959"	"Docusate sodium"	"EPA_DSSTox"	"[Na+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O"	"CCC(COC(=O)CC(C(=O)OCC(CCCC)CC)S(O)(=O)=O)CCCC"	"[Na+]"	"InChI=1S/C20H38O7S/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2/h16-18H,5-15H2,1-4H3,(H,23,24,25)"	"HNSDLXPSAYFUHK-UHFFFAOYSA-N"	"1900.0"	"3"	"4"	"FALSE"	"FALSE"
"3813"	"34256-82-1"	"DTXSID8023848"	"Acetochlor"	"EPA_DSSTox"	"CCOCN(C(=O)CCl)C1=C(CC)C=CC=C1C"	"CC1=CC=CC(CC)=C1N(COCC)C(=O)CCl"	"?"	"InChI=1S/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3"	"VTNQPKFIQCLBDU-UHFFFAOYSA-N"	"1929.0"	"3"	"4"	"FALSE"	"FALSE"
"3814"	"3060-89-7"	"DTXSID6042157"	"Metobromuron"	"EPA_DSSTox"	"CON(C)C(=O)NC1=CC=C(Br)C=C1"	"CON(C)C(=O)NC1C=CC(Br)=CC=1"	"?"	"InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)"	"WLFDQEVORAMCIM-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"3815"	"552-30-7"	"DTXSID7026235"	"Trimellitic anhydride"	"EPA_DSSTox"	"OC(=O)C1=CC=C2C(=O)OC(=O)C2=C1"	"OC(=O)C1=CC2=C(C=C1)C(=O)OC2=O"	"?"	"InChI=1S/C9H4O5/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12/h1-3H,(H,10,11)"	"SRPWOOOHEPICQU-UHFFFAOYSA-N"	"2030.0"	"3"	"5"	"FALSE"	"TRUE"
"3816"	"6419-19-8"	"DTXSID2027624"	"Aminotrimethylene phosphonic acid"	"EPA_DSSTox"	"OP(O)(=O)CN(CP(O)(O)=O)CP(O)(O)=O"	"OP(O)(=O)CN(CP(O)(O)=O)CP(O)(O)=O"	"?"	"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"	"2100.0"	"3"	"5"	"FALSE"	"TRUE"
"3817"	"91-20-3"	"DTXSID8020913"	"Naphthalene"	"EPA_DSSTox"	"C1=CC2=CC=CC=C2C=C1"	"C1=CC=CC2C=CC=CC=21"	"?"	"InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H"	"UFWIBTONFRDIAS-UHFFFAOYSA-N"	"2200.0"	"3"	"5"	"FALSE"	"TRUE"
"3818"	"56-23-5"	"DTXSID8020250"	"Carbon tetrachloride"	"EPA_DSSTox"	"ClC(Cl)(Cl)Cl"	"ClC(Cl)(Cl)Cl"	"?"	"InChI=1S/CCl4/c2-1(3,4)5"	"VZGDMQKNWNREIO-UHFFFAOYSA-N"	"2350.0"	"3"	"5"	"FALSE"	"TRUE"
"3819"	"22984-54-9"	"DTXSID3027823"	"2-Butanone, O,O',O''-(methylsilylidyne)trioxime"	"EPA_DSSTox"	"CC\C(C)=N\O[Si](C)(O\N=C(/C)CC)O\N=C(/C)CC"	"C[Si](ON=C(C)CC)(ON=C(C)CC)ON=C(C)CC"	"?"	"InChI=1S/C13H27N3O3Si/c1-8-11(4)14-17-20(7,18-15-12(5)9-2)19-16-13(6)10-3/h8-10H2,1-7H3"	"OGZPYBBKQGPQNU-UHFFFAOYSA-N"	"2453.0"	"3"	"5"	"FALSE"	"TRUE"
"3820"	"470-82-6"	"DTXSID4020616"	"1,8-Cineol"	"EPA_DSSTox"	"CC12CCC(CC1)C(C)(C)O2"	"CC1(C)OC2(C)CCC1CC2"	"?"	"InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3"	"WEEGYLXZBRQIMU-UHFFFAOYSA-N"	"2480.0"	"3"	"5"	"FALSE"	"TRUE"
"3821"	"94317-64-3"	"DTXSID4044747"	"N-Butylphosphorothioic triamide"	"EPA_DSSTox"	"CCCCNP(N)(N)=S"	"CCCCNP(N)(N)=S"	"?"	"InChI=1S/C4H14N3PS/c1-2-3-4-7-8(5,6)9/h2-4H2,1H3,(H5,5,6,7,9)"	"HEPPIYNOUFWEPP-UHFFFAOYSA-N"	"2603.0"	"3"	"5"	"FALSE"	"TRUE"
"3822"	"115-84-4"	"DTXSID8041400"	"2-Butyl-2-ethyl-1,3-propanediol"	"EPA_DSSTox"	"CCCCC(CC)(CO)CO"	"CCCCC(CO)(CO)CC"	"?"	"InChI=1S/C9H20O2/c1-3-5-6-9(4-2,7-10)8-11/h10-11H,3-8H2,1-2H3"	"DSKYSDCYIODJPC-UHFFFAOYSA-N"	"2800.0"	"3"	"5"	"FALSE"	"TRUE"
"3823"	"12427-38-2"	"DTXSID9020794"	"Maneb"	"EPA_DSSTox"	"[Mn++].[S-]C(=S)NCCNC([S-])=S"	"SC(=S)NCCNC(S)=S"	"[Mn+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"	"3000.0"	"3"	"5"	"FALSE"	"TRUE"
"3824"	"80-05-7"	"DTXSID7020182"	"Bisphenol A"	"EPA_DSSTox"	"CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1"	"CC(C)(C1C=CC(O)=CC=1)C1C=CC(O)=CC=1"	"?"	"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"	"3250.0"	"3"	"5"	"FALSE"	"TRUE"
"3825"	"23950-58-5"	"DTXSID2020420"	"Propyzamide"	"EPA_DSSTox"	"CC(C)(NC(=O)C1=CC(Cl)=CC(Cl)=C1)C#C"	"CC(C)(C#C)NC(=O)C1C=C(Cl)C=C(Cl)C=1"	"?"	"InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)"	"PHNUZKMIPFFYSO-UHFFFAOYSA-N"	"3350.0"	"3"	"5"	"FALSE"	"TRUE"
"3826"	"98-54-4"	"DTXSID1020221"	"4-tert-Butylphenol"	"EPA_DSSTox"	"CC(C)(C)C1=CC=C(O)C=C1"	"CC(C)(C)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3"	"QHPQWRBYOIRBIT-UHFFFAOYSA-N"	"3620.0"	"3"	"5"	"FALSE"	"TRUE"
"3827"	"15647-08-2"	"DTXSID8051752"	"2-Ethylhexyl diphenyl phosphite"	"EPA_DSSTox"	"CCCCC(CC)COP(OC1=CC=CC=C1)OC1=CC=CC=C1"	"CCC(COP(OC1C=CC=CC=1)OC1C=CC=CC=1)CCCC"	"?"	"InChI=1S/C20H27O3P/c1-3-5-12-18(4-2)17-21-24(22-19-13-8-6-9-14-19)23-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3"	"XKZGIJICHCVXFV-UHFFFAOYSA-N"	"3840.0"	"3"	"5"	"FALSE"	"TRUE"
"3828"	"2008-41-5"	"DTXSID7023936"	"Butylate"	"EPA_DSSTox"	"CCSC(=O)N(CC(C)C)CC(C)C"	"CCSC(=O)N(CC(C)C)CC(C)C"	"?"	"InChI=1S/C11H23NOS/c1-6-14-11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3"	"BMTAFVWTTFSTOG-UHFFFAOYSA-N"	"4000.0"	"3"	"5"	"FALSE"	"TRUE"
"3829"	"131766-73-9"	"DTXSID80888944"	"2H-Pyran-4-ol, tetrahydro-4-methyl-2-propyl-, 4-acetate"	"EPA_DSSTox"	"CCCC1CC(C)(CCO1)OC(C)=O"	"CCCC1CC(C)(CCO1)OC(C)=O"	"?"	"InChI=1S/C11H20O3/c1-4-5-10-8-11(3,6-7-13-10)14-9(2)12/h10H,4-8H2,1-3H3"	"GURYYNWDVKXZAT-UHFFFAOYSA-N"	"4300.0"	"3"	"5"	"FALSE"	"TRUE"
"3830"	"13595-25-0"	"DTXSID7065548"	"Phenol, 4,4'-[1,3-phenylenebis(1-methylethylidene)]bis-"	"EPA_DSSTox"	"CC(C)(C1=CC=C(O)C=C1)C1=CC(=CC=C1)C(C)(C)C1=CC=C(O)C=C1"	"CC(C)(C1C=C(C=CC=1)C(C)(C)C1C=CC(O)=CC=1)C1C=CC(O)=CC=1"	"?"	"InChI=1S/C24H26O2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h5-16,25-26H,1-4H3"	"PVFQHGDIOXNKIC-UHFFFAOYSA-N"	"5465.0"	"4"	"5"	"FALSE"	"TRUE"
"3831"	"125904-11-2"	"DTXSID6029094"	"Benzene, ethenyl-, ar-bromo derivs."	"EPA_DSSTox"	"BrC1=CC=C(Br)C(C=C)=C1"	"C=CC1=CC(Br)=CC=C1Br"	"?"	"InChI=1S/C8H6Br2/c1-2-6-5-7(9)3-4-8(6)10/h2-5H,1H2"	"KWVKCGGJLLNVSC-UHFFFAOYSA-N"	"5790.0"	"4"	"5"	"FALSE"	"TRUE"
"3832"	"80-62-6"	"DTXSID2020844"	"Methyl methacrylate"	"EPA_DSSTox"	"COC(=O)C(C)=C"	"CC(=C)C(=O)OC"	"?"	"InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3"	"VVQNEPGJFQJSBK-UHFFFAOYSA-N"	"7800.0"	"4"	"5"	"FALSE"	"TRUE"
"3833"	"2943-75-1"	"DTXSID2029246"	"Triethoxyoctylsilane"	"EPA_DSSTox"	"CCCCCCCC[Si](OCC)(OCC)OCC"	"CCCCCCCC[Si](OCC)(OCC)OCC"	"?"	"InChI=1S/C14H32O3Si/c1-5-9-10-11-12-13-14-18(15-6-2,16-7-3)17-8-4/h5-14H2,1-4H3"	"MSRJTTSHWYDFIU-UHFFFAOYSA-N"	"11500.0"	"4"	"5"	"FALSE"	"TRUE"
"3834"	"112-60-7"	"DTXSID9026922"	"Tetraethylene glycol"	"EPA_DSSTox"	"OCCOCCOCCOCCO"	"OCCOCCOCCOCCO"	"?"	"InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2"	"UWHCKJMYHZGTIT-UHFFFAOYSA-N"	"32700.0"	"4"	"5"	"FALSE"	"TRUE"
"3835"	"96182-53-5"	"DTXSID1032482"	"Tebupirimfos"	"EPA_DSSTox"	"CCOP(=S)(OC(C)C)OC1=CN=C(N=C1)C(C)(C)C"	"CCOP(=S)(OC(C)C)OC1=CN=C(N=C1)C(C)(C)C"	"?"	"InChI=1S/C13H23N2O3PS/c1-7-16-19(20,17-10(2)3)18-11-8-14-12(15-9-11)13(4,5)6/h8-10H,7H2,1-6H3"	"AWYOMXWDGWUJHS-UHFFFAOYSA-N"		"1"	"1"	"TRUE"	"FALSE"
"3836"	"81-81-2"	"DTXSID5023742"	"Warfarin"	"EPA_DSSTox"	"CC(=O)CC(C1=CC=CC=C1)C1=C(O)C2=CC=CC=C2OC1=O"	"CC(=O)CC(C1=C(O)C2=CC=CC=C2OC1=O)C1C=CC=CC=1"	"?"	"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"	"1.6"	"1"	"1"	"TRUE"	"FALSE"
"3837"	"16752-77-5"	"DTXSID1022267"	"Methomyl"	"EPA_DSSTox"	"CNC(=O)ON=C(C)SC"	"CC(=NOC(=O)NC)SC"	"?"	"InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)"	"UHXUZOCRWCRNSJ-UHFFFAOYSA-N"	"14.7"	"1"	"2"	"TRUE"	"FALSE"
"3838"	"556-61-6"	"DTXSID2027204"	"Methyl isothiocyanate"	"EPA_DSSTox"	"CN=C=S"	"CN=C=S"	"?"	"InChI=1S/C2H3NS/c1-3-2-4/h1H3"	"LGDSHSYDSCRFAB-UHFFFAOYSA-N"	"55.0"	"2"	"3"	"FALSE"	"FALSE"
"3839"	"102-69-2"	"DTXSID9021849"	"Tripropylamine"	"EPA_DSSTox"	"CCCN(CCC)CCC"	"CCCN(CCC)CCC"	"?"	"InChI=1S/C9H21N/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3"	"YFTHZRPMJXBUME-UHFFFAOYSA-N"	"72.5"	"2"	"3"	"FALSE"	"FALSE"
"3840"	"143-50-0"	"DTXSID1020770"	"Kepone"	"EPA_DSSTox"	"ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl"	"O=C1C2(Cl)C3(Cl)C4(Cl)C2(Cl)C2(Cl)C(Cl)(C3(Cl)C21Cl)C4(Cl)Cl"	"?"	"InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20"	"LHHGDZSESBACKH-UHFFFAOYSA-N"	"91.3"	"2"	"3"	"FALSE"	"FALSE"
"3841"	"75-31-0"	"DTXSID2025682"	"Isopropylamine"	"EPA_DSSTox"	"CC(C)N"	"CC(C)N"	"?"	"InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3"	"JJWLVOIRVHMVIS-UHFFFAOYSA-N"	"111.0"	"2"	"3"	"FALSE"	"FALSE"
"3842"	"4170-30-3"	"DTXSID8024864"	"Crotonaldehyde"	"EPA_DSSTox"	"CC=CC=O"	"CC=CC=O"	"?"	"InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3"	"MLUCVPSAIODCQM-UHFFFAOYSA-N"	"165.0"	"2"	"3"	"FALSE"	"FALSE"
"3843"	"60-51-5"	"DTXSID7020479"	"Dimethoate"	"EPA_DSSTox"	"CNC(=O)CSP(=S)(OC)OC"	"CNC(=O)CSP(=S)(OC)OC"	"?"	"InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)"	"MCWXGJITAZMZEV-UHFFFAOYSA-N"	"245.0"	"2"	"3"	"FALSE"	"FALSE"
"3844"	"91-64-5"	"DTXSID7020348"	"Coumarin"	"EPA_DSSTox"	"O=C1OC2=C(C=CC=C2)C=C1"	"O=C1C=CC2C=CC=CC=2O1"	"?"	"InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H"	"ZYGHJZDHTFUPRJ-UHFFFAOYSA-N"	"290.0"	"2"	"3"	"FALSE"	"FALSE"
"3845"	"1761-71-3"	"DTXSID0024921"	"4,4'-Diaminodicyclohexylmethane"	"EPA_DSSTox"	"NC1CCC(CC2CCC(N)CC2)CC1"	"NC1CCC(CC2CCC(N)CC2)CC1"	"?"	"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"	"350.0"	"2"	"4"	"FALSE"	"FALSE"
"3846"	"76-57-3"	"DTXSID2020341"	"Codeine"	"EPA_DSSTox"	"COC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)=C2[C@@]34CCN5C"	"COC1C=CC2CC3C4C=CC(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/h3-6,11-13,17,20H,7-9H2,1-2H3"	"OROGSEYTTFOCAN-UHFFFAOYSA-N"	"427.0"	"2"	"4"	"FALSE"	"FALSE"
"3847"	"3567-25-7"	"DTXSID6034899"	"Sulcofuron-sodium"	"EPA_DSSTox"	"[Na+].[O-]S(=O)(=O)C1=CC(Cl)=CC=C1OC1=C(NC(=O)NC2=CC(Cl)=C(Cl)C=C2)C=C(Cl)C=C1"	"OS(=O)(=O)C1=CC(Cl)=CC=C1OC1C=CC(Cl)=CC=1NC(=O)NC1=CC(Cl)=C(Cl)C=C1"	"[Na+]"	"InChI=1S/C19H12Cl4N2O5S/c20-10-1-5-16(30-17-6-2-11(21)8-18(17)31(27,28)29)15(7-10)25-19(26)24-12-3-4-13(22)14(23)9-12/h1-9H,(H2,24,25,26)(H,27,28,29)"	"MKUMTCOTMQPYTQ-UHFFFAOYSA-N"	"476.0"	"2"	"4"	"FALSE"	"FALSE"
"3848"	"2636-26-2"	"DTXSID0041806"	"Cyanophos"	"EPA_DSSTox"	"COP(=S)(OC)OC1=CC=C(C=C1)C#N"	"COP(=S)(OC1C=CC(=CC=1)C#N)OC"	"?"	"InChI=1S/C9H10NO3PS/c1-11-14(15,12-2)13-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3"	"SCKHCCSZFPSHGR-UHFFFAOYSA-N"	"580.0"	"3"	"4"	"FALSE"	"FALSE"
"3849"	"118-96-7"	"DTXSID7024372"	"2,4,6-Trinitrotoluene"	"EPA_DSSTox"	"CC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O"	"CC1C(=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O"	"?"	"InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3"	"SPSSULHKWOKEEL-UHFFFAOYSA-N"	"607.0"	"3"	"4"	"FALSE"	"FALSE"
"3850"	"100-47-0"	"DTXSID7021491"	"Benzonitrile"	"EPA_DSSTox"	"N#CC1=CC=CC=C1"	"N#CC1C=CC=CC=1"	"?"	"InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H"	"JFDZBHWFFUWGJE-UHFFFAOYSA-N"	"700.0"	"3"	"4"	"FALSE"	"FALSE"
"3851"	"13292-46-1"	"DTXSID6021244"	"Rifampicin"	"EPA_DSSTox"	"CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(O)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(\C=N\N1CCN(C)CC1)=C2O"	"CN1CCN(CC1)N=CC1C2NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(C=COC3(C)OC4=C(C(=C(C=2O)C(O)=C4C)C=1O)C3=O)OC |c:16|"	"?"	"InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11?,19-14?,22-13-,44-20?"	"JQXXHWHPUNPDRT-CUJWLTRMSA-N"	"900.0"	"3"	"4"	"FALSE"	"FALSE"
"3852"	"151-21-3"	"DTXSID1026031"	"Sodium dodecyl sulfate"	"EPA_DSSTox"	"[Na+].CCCCCCCCCCCCOS([O-])(=O)=O"	"CCCCCCCCCCCCOS(O)(=O)=O"	"[Na+]"	"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"	"977.0"	"3"	"4"	"FALSE"	"FALSE"
"3853"	"109-02-4"	"DTXSID9029146"	"4-Methylmorpholine"	"EPA_DSSTox"	"CN1CCOCC1"	"CN1CCOCC1"	"?"	"InChI=1S/C5H11NO/c1-6-2-4-7-5-3-6/h2-5H2,1H3"	"SJRJJKPEHAURKC-UHFFFAOYSA-N"	"1212.4"	"3"	"4"	"FALSE"	"FALSE"
"3854"	"110-63-4"	"DTXSID2024666"	"1,4-Butanediol"	"EPA_DSSTox"	"OCCCCO"	"OCCCCO"	"?"	"InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2"	"WERYXYBDKMZEQL-UHFFFAOYSA-N"	"1350.0"	"3"	"4"	"FALSE"	"FALSE"
"3855"	"107-92-6"	"DTXSID8021515"	"Butanoic acid"	"EPA_DSSTox"	"CCCC(O)=O"	"CCCC(O)=O"	"?"	"InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)"	"FERIUCNNQQJTOY-UHFFFAOYSA-N"	"1632.0"	"3"	"4"	"FALSE"	"FALSE"
"3856"	"72-43-5"	"DTXSID9020827"	"Methoxychlor"	"EPA_DSSTox"	"COC1=CC=C(C=C1)C(C1=CC=C(OC)C=C1)C(Cl)(Cl)Cl"	"COC1C=CC(=CC=1)C(C1C=CC(=CC=1)OC)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C16H15Cl3O2/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3"	"IAKOZHOLGAGEJT-UHFFFAOYSA-N"	"1855.0"	"3"	"4"	"FALSE"	"FALSE"
"3857"	"78-51-3"	"DTXSID5021758"	"Tris(2-butoxyethyl) phosphate"	"EPA_DSSTox"	"CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC"	"CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC"	"?"	"InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3"	"WTLBZVNBAKMVDP-UHFFFAOYSA-N"	"2001.0"	"3"	"5"	"FALSE"	"TRUE"
"3858"	"123-05-7"	"DTXSID9025291"	"2-Ethylhexanal"	"EPA_DSSTox"	"CCCCC(CC)C=O"	"CCCCC(CC)C=O"	"?"	"InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7-8H,3-6H2,1-2H3"	"LGYNIFWIKSEESD-UHFFFAOYSA-N"	"2600.0"	"3"	"5"	"FALSE"	"TRUE"
"3859"	"78-93-3"	"DTXSID3021516"	"Methyl ethyl ketone"	"EPA_DSSTox"	"CCC(C)=O"	"CCC(C)=O"	"?"	"InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3"	"ZWEHNKRNPOVVGH-UHFFFAOYSA-N"	"2737.0"	"3"	"5"	"FALSE"	"TRUE"
"3860"	"24544-04-5"	"DTXSID5022279"	"2,6-Diisopropylaniline"	"EPA_DSSTox"	"CC(C)C1=CC=CC(C(C)C)=C1N"	"CC(C)C1=CC=CC(C(C)C)=C1N"	"?"	"InChI=1S/C12H19N/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,13H2,1-4H3"	"WKBALTUBRZPIPZ-UHFFFAOYSA-N"	"3204.0"	"3"	"5"	"FALSE"	"TRUE"
"3861"	"534-16-7"	"DTXSID9042384"	"Silver(I) carbonate"	"EPA_DSSTox"	"[Ag+].[Ag+].[O-]C([O-])=O"	"OC(O)=O"	"[Ag+].[Ag+]"	"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)"	"BVKZGUZCCUSVTD-UHFFFAOYSA-N"	"3702.0"	"3"	"5"	"FALSE"	"TRUE"
"3862"	"67-72-1"	"DTXSID7020689"	"Hexachloroethane"	"EPA_DSSTox"	"ClC(Cl)(Cl)C(Cl)(Cl)Cl"	"ClC(Cl)(Cl)C(Cl)(Cl)Cl"	"?"	"InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8"	"VHHHONWQHHHLTI-UHFFFAOYSA-N"	"4460.0"	"3"	"5"	"FALSE"	"TRUE"
"3863"	"75-99-0"	"DTXSID2021575"	"Dalapon"	"EPA_DSSTox"	"CC(Cl)(Cl)C(O)=O"	"CC(Cl)(Cl)C(O)=O"	"?"	"InChI=1S/C3H4Cl2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)"	"NDUPDOJHUQKPAG-UHFFFAOYSA-N"	"6936.0"	"4"	"5"	"FALSE"	"TRUE"
"3864"	"5959-89-7"	"DTXSID9027609"	"D-Glucitol, 1,4-anhydro-, 6-dodecanoate"	"EPA_DSSTox"	"[H][C@@]1(OC[C@H](O)[C@H]1O)[C@H](O)COC(=O)CCCCCCCCCCC"	"CCCCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O"	"?"	"InChI=1S/C18H34O6/c1-2-3-4-5-6-7-8-9-10-11-16(21)23-13-15(20)18-17(22)14(19)12-24-18/h14-15,17-20,22H,2-13H2,1H3"	"LWZFANDGMFTDAV-UHFFFAOYSA-N"	"33600.0"	"4"	"5"	"FALSE"	"TRUE"
"3865"	"22224-92-6"	"DTXSID3024102"	"Fenamiphos"	"EPA_DSSTox"	"CCOP(=O)(NC(C)C)OC1=CC=C(SC)C(C)=C1"	"CC1C=C(C=CC=1SC)OP(=O)(NC(C)C)OCC"	"?"	"InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)"	"ZCJPOPBZHLUFHF-UHFFFAOYSA-N"	"2.7"	"1"	"1"	"TRUE"	"FALSE"
"3866"	"99-65-0"	"DTXSID9024065"	"1,3-Dinitrobenzene"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC(=CC=C1)[N+]([O-])=O"	"[O-][N+](=O)C1C=C(C=CC=1)[N+]([O-])=O"	"?"	"InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H"	"WDCYWAQPCXBPJA-UHFFFAOYSA-N"	"59.0"	"2"	"3"	"FALSE"	"FALSE"
"3867"	"2303-17-5"	"DTXSID5024344"	"Tri-allate"	"EPA_DSSTox"	"CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl"	"CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl"	"?"	"InChI=1S/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3"	"MWBPRDONLNQCFV-UHFFFAOYSA-N"	"200.0"	"2"	"3"	"FALSE"	"FALSE"
"3868"	"41198-08-7"	"DTXSID3032464"	"Profenofos"	"EPA_DSSTox"	"CCCSP(=O)(OCC)OC1=C(Cl)C=C(Br)C=C1"	"CCCSP(=O)(OC1=CC=C(Br)C=C1Cl)OCC"	"?"	"InChI=1S/C11H15BrClO3PS/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"	"QYMMJNLHFKGANY-UHFFFAOYSA-N"	"358.0"	"2"	"4"	"FALSE"	"FALSE"
"3869"	"97-00-7"	"DTXSID6020278"	"1-Chloro-2,4-dinitrobenzene"	"EPA_DSSTox"	"[O-][N+](=O)C1=CC(=C(Cl)C=C1)[N+]([O-])=O"	"[O-][N+](=O)C1C=C(C=CC=1Cl)[N+]([O-])=O"	"?"	"InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H"	"VYZAHLCBVHPDDF-UHFFFAOYSA-N"	"640.0"	"3"	"4"	"FALSE"	"FALSE"
"3870"	"88-72-2"	"DTXSID4025791"	"2-Nitrotoluene"	"EPA_DSSTox"	"CC1=CC=CC=C1[N+]([O-])=O"	"CC1=CC=CC=C1[N+]([O-])=O"	"?"	"InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3"	"PLAZTCDQAHEYBI-UHFFFAOYSA-N"	"890.0"	"3"	"4"	"FALSE"	"FALSE"
"3871"	"105-60-2"	"DTXSID4020240"	"Caprolactam"	"EPA_DSSTox"	"O=C1CCCCCN1"	"O=C1CCCCCN1"	"?"	"InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)"	"JBKVHLHDHHXQEQ-UHFFFAOYSA-N"	"1200.0"	"3"	"4"	"FALSE"	"FALSE"
"3872"	"1134-23-2"	"DTXSID6032356"	"Cycloate"	"EPA_DSSTox"	"CCSC(=O)N(CC)C1CCCCC1"	"CCN(C1CCCCC1)C(=O)SCC"	"?"	"InChI=1S/C11H21NOS/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3"	"DFCAFRGABIXSDS-UHFFFAOYSA-N"	"1678.0"	"3"	"4"	"FALSE"	"FALSE"
"3873"	"115-27-5"	"DTXSID2026941"	"Chlorendic anhydride"	"EPA_DSSTox"	"ClC1=C(Cl)C2(Cl)C3C(C(=O)OC3=O)C1(Cl)C2(Cl)Cl"	"O=C1OC(=O)C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl"	"?"	"InChI=1S/C9H2Cl6O3/c10-3-4(11)8(13)2-1(5(16)18-6(2)17)7(3,12)9(8,14)15/h1-2H"	"FLBJFXNAEMSXGL-UHFFFAOYSA-N"	"2130.0"	"3"	"5"	"FALSE"	"TRUE"
"3874"	"107-98-2"	"DTXSID8024284"	"1-Methoxy-2-propanol"	"EPA_DSSTox"	"COCC(C)O"	"COCC(C)O"	"?"	"InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3"	"ARXJGSRGQADJSQ-UHFFFAOYSA-N"	"3739.0"	"3"	"5"	"FALSE"	"TRUE"
"3875"	"6318-09-8"	"DTXSID10282890"	"2,4,6-Tri(propan-2-yl)benzene-1,3-diamine"	"EPA_DSSTox"	"CC(C)C1=CC(C(C)C)=C(N)C(C(C)C)=C1N"	"CC(C)C1=CC(C(C)C)=C(N)C(C(C)C)=C1N"	"?"	"InChI=1S/C15H26N2/c1-8(2)11-7-12(9(3)4)15(17)13(10(5)6)14(11)16/h7-10H,16-17H2,1-6H3"	"UCUPHRPMBXOFAU-UHFFFAOYSA-N"		"3"	"4"	"FALSE"	"FALSE"
"3876"	"97-39-2"	"DTXSID2026606"	"1,3-Bis(2-methylphenyl)guanidine"	"EPA_DSSTox"	"CC1=CC=CC=C1NC(=N)NC1=C(C)C=CC=C1"	"[H]/N=C(/NC1=CC=CC=C1C)\NC1C=CC=CC=1C"	"?"	"InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)"	"OPNUROKCUBTKLF-UHFFFAOYSA-N"	"70.65"	"2"	"3"	"FALSE"	"FALSE"
"3877"	"79-10-7"	"DTXSID0039229"	"Acrylic acid"	"EPA_DSSTox"	"OC(=O)C=C"	"C=CC(O)=O"	"?"	"InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)"	"NIXOWILDQLNWCW-UHFFFAOYSA-N"	"113.25"	"2"	"3"	"FALSE"	"FALSE"
"3878"	"69-09-0"	"DTXSID7024827"	"Chlorpromazine hydrochloride"	"EPA_DSSTox"	"Cl.CN(C)CCCN1C2=C(SC3=C1C=C(Cl)C=C3)C=CC=C2"	"CN(C)CCCN1C2C=CC=CC=2SC2C=CC(Cl)=CC1=2"	"Cl"	"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"	"143.3"	"2"	"3"	"FALSE"	"FALSE"
"3879"	"154279-60-4"	"DTXSID80870021"	"Cyclohexanamine, 4,4'-methylenebis[N-(1-methylpropyl)-"	"EPA_DSSTox"	"CCC(C)NC1CCC(CC2CCC(CC2)NC(C)CC)CC1"	"CC(CC)NC1CCC(CC2CCC(CC2)NC(C)CC)CC1"	"?"	"InChI=1S/C21H42N2/c1-5-16(3)22-20-11-7-18(8-12-20)15-19-9-13-21(14-10-19)23-17(4)6-2/h16-23H,5-15H2,1-4H3"	"PICLBAFTFYTURY-UHFFFAOYSA-N"	"266.5"	"2"	"3"	"FALSE"	"FALSE"
"3880"	"97-74-5"	"DTXSID0021333"	"Tetramethylthiuram monosulfide"	"EPA_DSSTox"	"CN(C)C(=S)SC(=S)N(C)C"	"CN(C)C(=S)SC(=S)N(C)C"	"?"	"InChI=1S/C6H12N2S3/c1-7(2)5(9)11-6(10)8(3)4/h1-4H3"	"REQPQFUJGGOFQL-UHFFFAOYSA-N"	"425.0"	"2"	"4"	"FALSE"	"FALSE"
"3881"	"90-43-7"	"DTXSID2021151"	"2-Phenylphenol"	"EPA_DSSTox"	"OC1=C(C=CC=C1)C1=CC=CC=C1"	"OC1C=CC=CC=1C1C=CC=CC=1"	"?"	"InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H"	"LLEMOWNGBBNAJR-UHFFFAOYSA-N"	"718.5"	"3"	"4"	"FALSE"	"FALSE"
"3882"	"99-08-1"	"DTXSID5021831"	"3-Nitrotoluene"	"EPA_DSSTox"	"CC1=CC(=CC=C1)[N+]([O-])=O"	"CC1=CC(=CC=C1)[N+]([O-])=O"	"?"	"InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3"	"QZYHIOPPLUPUJF-UHFFFAOYSA-N"	"1071.0"	"3"	"4"	"FALSE"	"FALSE"
"3883"	"7287-19-6"	"DTXSID4024272"	"Prometryn"	"EPA_DSSTox"	"CSC1=NC(NC(C)C)=NC(NC(C)C)=N1"	"CSC1N=C(NC(C)C)N=C(NC(C)C)N=1"	"?"	"InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)"	"AAEVYOVXGOFMJO-UHFFFAOYSA-N"	"1939.0"	"3"	"4"	"FALSE"	"FALSE"
"3884"	"108-83-8"	"DTXSID4025080"	"Diisobutyl ketone"	"EPA_DSSTox"	"CC(C)CC(=O)CC(C)C"	"CC(C)CC(=O)CC(C)C"	"?"	"InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3"	"PTTPXKJBFFKCEK-UHFFFAOYSA-N"	"5259.0"	"4"	"5"	"FALSE"	"TRUE"
"3885"	"1563-66-2"	"DTXSID9020249"	"Carbofuran"	"EPA_DSSTox"	"CNC(=O)OC1=CC=CC2=C1OC(C)(C)C2"	"CNC(=O)OC1=CC=CC2CC(C)(C)OC1=2"	"?"	"InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)"	"DUEPRVBVGDRKAG-UHFFFAOYSA-N"	"5.15"	"1"	"2"	"TRUE"	"FALSE"
"3886"	"549-18-8"	"DTXSID9033187"	"Amitriptyline hydrochloride"	"EPA_DSSTox"	"Cl.CN(C)CCC=C1C2=C(CCC3=C1C=CC=C3)C=CC=C2"	"CN(C)CCC=C1C2C=CC=CC=2CCC2C=CC=CC=21"	"Cl"	"InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3"	"KRMDCWKBEZIMAB-UHFFFAOYSA-N"	"280.0"	"2"	"3"	"FALSE"	"FALSE"
"3887"	"3033-62-3"	"DTXSID5027512"	"Bis[2-(dimethylamino)ethyl]ether"	"EPA_DSSTox"	"CN(C)CCOCCN(C)C"	"CN(C)CCOCCN(C)C"	"?"	"InChI=1S/C8H20N2O/c1-9(2)5-7-11-8-6-10(3)4/h5-8H2,1-4H3"	"GTEXIOINCJRBIO-UHFFFAOYSA-N"	"587.0"	"3"	"4"	"FALSE"	"FALSE"
"3888"	"144-55-8"	"DTXSID9021269"	"Sodium bicarbonate"	"EPA_DSSTox"	"[Na+].OC([O-])=O"	"OC(O)=O"	"[Na+]"	"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)"	"BVKZGUZCCUSVTD-UHFFFAOYSA-N"	"4265.0"	"3"	"5"	"FALSE"	"TRUE"
"3889"	"107-05-1"	"DTXSID4039231"	"Allyl chloride"	"EPA_DSSTox"	"ClCC=C"	"C=CCCl"	"?"	"InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2"	"OSDWBNJEKMUWAV-UHFFFAOYSA-N"	"284.0"	"2"	"3"	"FALSE"	"FALSE"
"3890"	"75-09-2"	"DTXSID0020868"	"Dichloromethane"	"EPA_DSSTox"	"ClCCl"	"ClCCl"	"?"	"InChI=1S/CH2Cl2/c2-1-3/h1H2"	"YMWUJEATGCHHMB-UHFFFAOYSA-N"	"1503.0"	"3"	"4"	"FALSE"	"FALSE"
"3891"	"71-43-2"	"DTXSID3039242"	"Benzene"	"EPA_DSSTox"	"C1=CC=CC=C1"	"C1C=CC=CC=1"	"?"	"InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H"	"UHOVQNZJYSORNB-UHFFFAOYSA-N"	"3323.0"	"3"	"5"	"FALSE"	"TRUE"
"3892"	"62-73-7"	"DTXSID5020449"	"Dichlorvos"	"EPA_DSSTox"	"COP(=O)(OC)OC=C(Cl)Cl"	"COP(=O)(OC=C(Cl)Cl)OC"	"?"	"InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3"	"OEBRKCOSUFCWJD-UHFFFAOYSA-N"	"30.0"	"1"	"2"	"TRUE"	"FALSE"
"3893"	"333-41-5"	"DTXSID9020407"	"Diazinon"	"EPA_DSSTox"	"CCOP(=S)(OCC)OC1=NC(=NC(C)=C1)C(C)C"	"CC1=CC(=NC(=N1)C(C)C)OP(=S)(OCC)OCC"	"?"	"InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3"	"FHIVAFMUCKRCQO-UHFFFAOYSA-N"	"92.0"	"2"	"3"	"FALSE"	"FALSE"
"3894"	"13674-84-5"	"DTXSID5026259"	"Tris(2-chloroisopropyl)phosphate"	"EPA_DSSTox"	"CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl"	"CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl"	"?"	"InChI=1S/C9H18Cl3O4P/c1-7(4-10)14-17(13,15-8(2)5-11)16-9(3)6-12/h7-9H,4-6H2,1-3H3"	"KVMPUXDNESXNOH-UHFFFAOYSA-N"	"980.0"	"3"	"4"	"FALSE"	"FALSE"
"3895"	"56-38-2"	"DTXSID7021100"	"Parathion"	"EPA_DSSTox"	"CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O"	"CCOP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)OCC"	"?"	"InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3"	"LCCNCVORNKJIRZ-UHFFFAOYSA-N"	"2.1"	"1"	"1"	"TRUE"	"FALSE"