CASRN	ChemicalName	DTXSID	Original SMILES	Original InChIKey	QSAR Ready SMILES	Response	List Source
6/1/2425	Captafol	DTXSID4020242	ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O	JHRWWRDRBPCWTF-UHFFFAOYSA-N	ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O	RAHC	ROC Edition 14
3/4/4342	Dacarbazine	DTXSID0020369	CN(C)N=NC1=C(NC=N1)C(N)=O	FDKXTQMXEQVLRF-UHFFFAOYSA-N	CN(C)N=NC1=C(NC=N1)C(N)=O	RAHC	ROC Edition 14
2/8/7496	6-Nitrochrysene	DTXSID9075454	[O-][N+](=O)C1=CC2=C(C=CC3=CC=CC=C23)C2=CC=CC=C12	UAWLTQJFZUYROA-UHFFFAOYSA-N	[O-][N+](=O)C1=CC2=C(C=CC3=CC=CC=C23)C2=CC=CC=C12	RAHC	ROC Edition 14
10034-93-2	Hydrazine sulfate	DTXSID8020703	NN.OS(O)(=O)=O	ZGCHATBSUIJLRL-UHFFFAOYSA-N	-	RAHC	ROC Edition 14
100-42-5	Styrene	DTXSID2021284	C=CC1=CC=CC=C1	PPBRXRYQALVLMV-UHFFFAOYSA-N	C=CC1=CC=CC=C1	RAHC	ROC Edition 14
10043-92-2	Radon 222	DTXSID7024295	[Rn]	SYUHGPGVQRZVTB-UHFFFAOYSA-N	-	Known	ROC Edition 14
100-75-4	N-Nitrosopiperidine	DTXSID8021060	O=NN1CCCCC1	UWSDONTXWQOZFN-UHFFFAOYSA-N	O=NN1CCCCC1	RAHC	ROC Edition 14
101-14-4	"4,4'-Methylenebis(2-chloroaniline)"	DTXSID5020865	NC1=C(Cl)C=C(CC2=CC(Cl)=C(N)C=C2)C=C1	IBOFVQJTBBUKMU-UHFFFAOYSA-N	NC1=C(Cl)C=C(CC2=CC(Cl)=C(N)C=C2)C=C1	RAHC	ROC Edition 14
101-61-1	"4,4'-Methylenebis(N,N-dimethylaniline)"	DTXSID5020869	CN(C)C1=CC=C(CC2=CC=C(C=C2)N(C)C)C=C1	JNRLEMMIVRBKJE-UHFFFAOYSA-N	CN(C)C1=CC=C(CC2=CC=C(C=C2)N(C)C)C=C1	RAHC	ROC Edition 14
101-77-9	"4,4'-Diaminobiphenyl methane"	DTXSID6022422	NC1=CC=C(CC2=CC=C(N)C=C2)C=C1	YBRVSVVVWCFQMG-UHFFFAOYSA-N	NC1=CC=C(CC2=CC=C(N)C=C2)C=C1	RAHC	ROC Edition 14
101-80-4	"4,4'-Oxydianiline"	DTXSID0021094	NC1=CC=C(OC2=CC=C(N)C=C2)C=C1	HLBLWEWZXPIGSM-UHFFFAOYSA-N	NC1=CC=C(OC2=CC=C(N)C=C2)C=C1	RAHC	ROC Edition 14
101-90-6	Diglycidyl resorcinol ether	DTXSID2020470	C(OC1=CC(OCC2CO2)=CC=C1)C1CO1	WPYCRFCQABTEKC-UHFFFAOYSA-N	C(OC1=CC(OCC2CO2)=CC=C1)C1CO1	RAHC	ROC Edition 14
10540-29-1	Tamoxifen	DTXSID1034187	CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1	NKANXQFJJICGDU-QPLCGJKRSA-N	CCC(=C(C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1	Known	ROC Edition 14
105650-23-5	"2-Amino-1methyl-6-phenylimidazo [4,5-b]pyridine"	DTXSID3037628	CN1C(N)=NC2=C1C=C(C=N2)C1=CC=CC=C1	UQVKZNNCIHJZLS-UHFFFAOYSA-N	CN1C(N)=NC2=C1C=C(C=N2)C1=CC=CC=C1	RAHC	ROC Edition 14
106-46-7	"1,4-Dichlorobenzene"	DTXSID1020431	ClC1=CC=C(Cl)C=C1	OCJBOOLMMGQPQU-UHFFFAOYSA-N	ClC1=CC=C(Cl)C=C1	RAHC	ROC Edition 14
106-87-6	4-Vinyl-1-cyclohexene dioxide	DTXSID0020604	C1OC1C1CCC2OC2C1	OECTYKWYRCHAKR-UHFFFAOYSA-N	C1OC1C1CCC2OC2C1	RAHC	ROC Edition 14
106-89-8	Epichlorohydrin	DTXSID1020566	ClCC1CO1	BRLQWZUYTZBJKN-UHFFFAOYSA-N	ClCC1CO1	RAHC	ROC Edition 14
106-93-4	"1,2-Dibromoethane"	DTXSID3020415	BrCCBr	PAAZPARNPHGIKF-UHFFFAOYSA-N	BrCCBr	RAHC	ROC Edition 14
106-94-5	1-Bromopropane	DTXSID6021874	CCCBr	CYNYIHKIEHGYOZ-UHFFFAOYSA-N	CCCBr	RAHC	ROC Edition 14
106-99-0	"1,3-Butadiene"	DTXSID3020203	C=CC=C	KAKZBPTYRLMSJV-UHFFFAOYSA-N	C=CC=C	Known	ROC Edition 14
107-06-2	"1,2-Dichloroethane"	DTXSID6020438	ClCCCl	WSLDOOZREJYCGB-UHFFFAOYSA-N	ClCCCl	RAHC	ROC Edition 14
107-13-1	Acrylonitrile	DTXSID5020029	C=CC#N	NLHHRLWOUZZQLW-UHFFFAOYSA-N	C=CC#N	RAHC	ROC Edition 14
107-30-2	Chloromethyl methyl ether	DTXSID6020307	COCCl	XJUZRXYOEPSWMB-UHFFFAOYSA-N	COCCl	Known	ROC Edition 14
108171-26-2	C10-12 chloroalkanes	DTXSID10872316	-	-	-	RAHC	ROC Edition 14
110-00-9	Furan	DTXSID6020646	O1C=CC=C1	YLQBMQCUIZJEEH-UHFFFAOYSA-N	O1C=CC=C1	RAHC	ROC Edition 14
1116-54-7	N-Nitrosodiethanolamine	DTXSID7021027	OCCN(CCO)N=O	YFCDLVPYFMHRQZ-UHFFFAOYSA-N	OCCN(CCO)N=O	RAHC	ROC Edition 14
1120-71-4	"1,3-Propane sultone"	DTXSID8021195	O=S1(=O)CCCO1	FSSPGSAQUIYDCN-UHFFFAOYSA-N	O=S1(=O)CCCO1	RAHC	ROC Edition 14
115-28-6	Chlorendic acid	DTXSID2020268	OC(=O)C1C(C(O)=O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl	DJKGDNKYTKCJKD-UHFFFAOYSA-N	OC(=O)C1C(C(O)=O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl	RAHC	ROC Edition 14
116-14-3	Tetrafluoroethylene	DTXSID6021325	FC(F)=C(F)F	BFKJFAAPBSQJPD-UHFFFAOYSA-N	FC(F)=C(F)F	RAHC	ROC Edition 14
117-10-2	Danthron	DTXSID9020328	OC1=CC=CC2=C1C(=O)C1=C(O)C=CC=C1C2=O	QBPFLULOKWLNNW-UHFFFAOYSA-N	OC1=CC=CC2=C1C(=O)C1=C(O)C=CC=C1C2=O	RAHC	ROC Edition 14
117-79-3	2-Aminoanthraquinone	DTXSID6020068	NC1=CC=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C1	XOGPDSATLSAZEK-UHFFFAOYSA-N	NC1=CC=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C1	RAHC	ROC Edition 14
117-81-7	Di(2-ethylhexyl) phthalate	DTXSID5020607	CCCCC(CC)COC(=O)C1=C(C=CC=C1)C(=O)OCC(CC)CCCC	BJQHLKABXJIVAM-UHFFFAOYSA-N	CCCCC(CC)COC(=O)C1=C(C=CC=C1)C(=O)OCC(CC)CCCC	RAHC	ROC Edition 14
118-74-1	Hexachlorobenzene	DTXSID2020682	ClC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl	CKAPSXZOOQJIBF-UHFFFAOYSA-N	ClC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl	RAHC	ROC Edition 14
119-90-4	"3,3'-Dimethoxybenzidine"	DTXSID3025091	COC1=CC(=CC=C1N)C1=CC(OC)=C(N)C=C1	JRBJSXQPQWSCCF-UHFFFAOYSA-N	COC1=CC(=CC=C1N)C1=CC(OC)=C(N)C=C1	RAHC	ROC Edition 14
119-93-7	"3,3'-Dimethylbenzidine"	DTXSID5024059	CC1=CC(=CC=C1N)C1=CC=C(N)C(C)=C1	NUIURNJTPRWVAP-UHFFFAOYSA-N	CC1=CC(=CC=C1N)C1=CC=C(N)C(C)=C1	RAHC	ROC Edition 14
120-71-8	2-Methoxy-5-methylaniline	DTXSID1020350	COC1=CC=C(C)C=C1N	WXWCDTXEKCVRRO-UHFFFAOYSA-N	COC1=CC=C(C)C=C1N	RAHC	ROC Edition 14
122-66-7	"1,2-Diphenylhydrazine"	DTXSID7020710	N(NC1=CC=CC=C1)C1=CC=CC=C1	YBQZXXMEJHZYMB-UHFFFAOYSA-N	N(NC1=CC=CC=C1)C1=CC=CC=C1	RAHC	ROC Edition 14
123-91-1	"1,4-Dioxane"	DTXSID4020533	C1COCCO1	RYHBNJHYFVUHQT-UHFFFAOYSA-N	C1COCCO1	RAHC	ROC Edition 14
12510-42-8	Erionite	DTXSID40872384	-	-	-	Known	ROC Edition 14
126-72-7	"Tris(2,3-dibromopropyl) phosphate"	DTXSID5021413	BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr	PQYJRMFWJJONBO-UHFFFAOYSA-N	BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr	RAHC	ROC Edition 14
126-99-8	Chloroprene	DTXSID5020316	ClC(=C)C=C	YACLQRRMGMJLJV-UHFFFAOYSA-N	ClC(=C)C=C	RAHC	ROC Edition 14
127-18-4	Tetrachloroethylene	DTXSID2021319	ClC(Cl)=C(Cl)Cl	CYTYCFOTNPOANT-UHFFFAOYSA-N	ClC(Cl)=C(Cl)Cl	RAHC	ROC Edition 14
13010-47-4	Lomustine	DTXSID2023222	ClCCN(N=O)C(=O)NC1CCCCC1	GQYIWUVLTXOXAJ-UHFFFAOYSA-N	ClCCN(N=O)C(=O)NC1CCCCC1	RAHC	ROC Edition 14
1314-20-1	Thorium(IV) oxide	DTXSID0051657	O=[Th]=O	ZCUFMDLYAMJYST-UHFFFAOYSA-N	-	Known	ROC Edition 14
131-52-2	Sodium pentachlorophenate	DTXSID4040264	[Na+].[O-]C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl	HCJLVWUMMKIQIM-UHFFFAOYSA-M	OC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl	RAHC	ROC Edition 14
13256-22-9	N-Nitrososarcosine	DTXSID9074309	CN(CC(O)=O)N=O	HJMPSKKJHVWPBK-UHFFFAOYSA-N	CN(CC(O)=O)N=O	RAHC	ROC Edition 14
1332-21-4	Asbestos	DTXSID4023888	-	-	-	Known	ROC Edition 14
1336-36-3	Polychlorinated biphenyls	DTXSID5024267	"[*]C1=C([*])C([*])=C(C([*])=C1[*])C1=C([*])C([*])=C([*])C([*])=C1[*] |$_R1;;;_R1;;_R1;;;_R1;;_R1;;;_R1;;_R1;;_R1;;_R1;;_R1$,c:1,5,8,12,20,t:16,RG:_R1={Cl* |$;_AP1$,lp:0:3|},LOG={_R1:;H;>0}|"	-	-	RAHC	ROC Edition 14
134-29-2	2-Methoxyaniline hydrochloride	DTXSID8020092	Cl.COC1=C(N)C=CC=C1	XCZCWGVXRBJCCD-UHFFFAOYSA-N	COC1=CC=CC=C1N	RAHC	ROC Edition 14
135-20-6	Cupferron	DTXSID1020352	[NH4+].[O-]N(N=O)C1=CC=CC=C1	GDEBSAWXIHEMNF-UHFFFAOYSA-O	ON(N=O)C1=CC=CC=C1	RAHC	ROC Edition 14
13552-44-8	"4,4'-Methylenedianiline dihydrochloride"	DTXSID9020871	Cl.Cl.NC1=CC=C(CC2=CC=C(N)C=C2)C=C1	MXNNTNFLRICRPT-UHFFFAOYSA-N	NC1=CC=C(CC2=CC=C(N)C=C2)C=C1	RAHC	ROC Edition 14
136-35-6	Diazoaminobenzene	DTXSID9024934	N(N=NC1=CC=CC=C1)C1=CC=CC=C1	ALIFPGGMJDWMJH-UHFFFAOYSA-N	N(N=NC1=CC=CC=C1)C1=CC=CC=C1	RAHC	ROC Edition 14
136-40-3	Phenazopyridine hydrochloride	DTXSID1021118	Cl.NC1=CC=C(N=NC2=CC=CC=C2)C(N)=N1	QQBPIHBUCMDKFG-UHFFFAOYSA-N	NC1=CC=C(N=NC2=CC=CC=C2)C(N)=N1	RAHC	ROC Edition 14
13654-09-6	"1,1'-Biphenyl, 2,2',3,3',4,4',5,5',6,6'-decabromo-"	DTXSID9065572	BrC1=C(Br)C(Br)=C(C(Br)=C1Br)C1=C(Br)C(Br)=C(Br)C(Br)=C1Br	AQPHBYQUCKHJLT-UHFFFAOYSA-N	BrC1=C(Br)C(Br)=C(C(Br)=C1Br)C1=C(Br)C(Br)=C(Br)C(Br)=C1Br	RAHC	ROC Edition 14
13909-09-6	Semustine	DTXSID8031603	CC1CCC(CC1)NC(=O)N(CCCl)N=O	FVLVBPDQNARYJU-UHFFFAOYSA-N	CC1CCC(CC1)NC(=O)N(CCCl)N=O	Known	ROC Edition 14
139-13-9	Nitrilotriacetic acid	DTXSID6020939	OC(=O)CN(CC(O)=O)CC(O)=O	MGFYIUFZLHCRTH-UHFFFAOYSA-N	OC(=O)CN(CC(O)=O)CC(O)=O	RAHC	ROC Edition 14
139-65-1	"4,4'-Thiodianiline"	DTXSID9021344	NC1=CC=C(SC2=CC=C(N)C=C2)C=C1	ICNFHJVPAJKPHW-UHFFFAOYSA-N	NC1=CC=C(SC2=CC=C(N)C=C2)C=C1	RAHC	ROC Edition 14
1402-68-2	Aflatoxin	DTXSID4020036	-	-	-	Known	ROC Edition 14
143-50-0	Kepone	DTXSID1020770	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	LHHGDZSESBACKH-UHFFFAOYSA-N	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	RAHC	ROC Edition 14
1464-53-5	"2,2'-Bioxirane"	DTXSID0041307	C1OC1C1CO1	ZFIVKAOQEXOYFY-UHFFFAOYSA-N	C1OC1C1CO1	RAHC	ROC Edition 14
148-82-3	Melphalan	DTXSID6020804	N[C@@H](CC1=CC=C(C=C1)N(CCCl)CCCl)C(O)=O	SGDBTWWWUNNDEQ-LBPRGKRZSA-N	NC(CC1=CC=C(C=C1)N(CCCl)CCCl)C(O)=O	Known	ROC Edition 14
154-93-8	Carmustine	DTXSID8022743	ClCCNC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	ClCCNC(=O)N(CCCl)N=O	RAHC	ROC Edition 14
15663-27-1	Cisplatin	DTXSID4024983	N[Pt](N)(Cl)Cl	DQLATGHUWYMOKM-UHFFFAOYSA-L	-	RAHC	ROC Edition 14
16543-55-8	N'-Nitrosonornicotine	DTXSID4021476	O=NN1CCC[C@H]1C1=CC=CN=C1	XKABJYQDMJTNGQ-VIFPVBQESA-N	O=NN1CCCC1C1=CN=CC=C1	RAHC	ROC Edition 14
1746-01-6	"2,3,7,8-Tetrachlorodibenzo-p-dioxin"	DTXSID2021315	ClC1=CC2=C(OC3=C(O2)C=C(Cl)C(Cl)=C3)C=C1Cl	HGUFODBRKLSHSI-UHFFFAOYSA-N	ClC1=CC2=C(OC3=C(O2)C=C(Cl)C(Cl)=C3)C=C1Cl	Known	ROC Edition 14
1836-75-5	Nitrofen	DTXSID7020970	[O-][N+](=O)C1=CC=C(OC2=C(Cl)C=C(Cl)C=C2)C=C1	XITQUSLLOSKDTB-UHFFFAOYSA-N	[O-][N+](=O)C1=CC=C(OC2=C(Cl)C=C(Cl)C=C2)C=C1	RAHC	ROC Edition 14
18540-29-9	Chromium (VI) ion	DTXSID7023982	[Cr+6]	JOPOVCBBYLSVDA-UHFFFAOYSA-N	-	Known	ROC Edition 14
18883-66-4	Streptozotocin	DTXSID2021282	CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	ZSJLQEPLLKMAKR-GKHCUFPYSA-N	CN(N=O)C(=O)NC1C(O)OC(CO)C(O)C1O	RAHC	ROC Edition 14
189-55-9	"Dibenzo[a,i]pyrene"	DTXSID9059751	C1=CC=C2C(=C1)C=C1C=CC3=CC4=CC=CC=C4C4=CC=C2C1=C34	TUGYIJVAYAHHHM-UHFFFAOYSA-N	C1=CC=C2C(=C1)C=C1C=CC3=CC4=CC=CC=C4C4=CC=C2C1=C34	RAHC	ROC Edition 14
189-64-0	"Dibenzo[a,h]pyrene"	DTXSID4059752	C1=CC=C2C(=C1)C=C1C=CC3=C4C(C=CC2=C14)=CC1=CC=CC=C31	RXUSYFJGDZFVND-UHFFFAOYSA-N	C1=CC=C2C(=C1)C=C1C=CC3=C4C(C=CC2=C14)=CC1=CC=CC=C31	RAHC	ROC Edition 14
191-30-0	"Dibenzo[a,l]pyrene"	DTXSID9059753	C1=CC=C2C(=C1)C=C1C=CC3=C4C(=CC=C3)C3=CC=CC=C3C2=C14	JNTHRSHGARDABO-UHFFFAOYSA-N	C1=CC=C2C(=C1)C=C1C=CC3=C4C(=CC=C3)C3=CC=CC=C3C2=C14	RAHC	ROC Edition 14
192-65-4	"Dibenzo(a,e)pyrene"	DTXSID3052690	C1=CC2=CC3=C4C(C=CC5=C4C(=CC=C5)C4=C3C=CC=C4)=C2C=C1	KGHMWBNEMFNJFZ-UHFFFAOYSA-N	C1=CC2=CC3=C4C(C=CC5=C4C(=CC=C5)C4=C3C=CC=C4)=C2C=C1	RAHC	ROC Edition 14
193-39-5	"Indeno(1,2,3-cd)pyrene"	DTXSID8024153	C1=CC2=C(C=C1)C1=C3C2=CC2=C4C(C=CC(C=C1)=C34)=CC=C2	SXQBHARYMNFBPS-UHFFFAOYSA-N	C1=CC2=C(C=C1)C1=C3C2=CC2=C4C(C=CC(C=C1)=C34)=CC=C2	RAHC	ROC Edition 14
194-59-2	"7H-Dibenzo[c,g]carbazole"	DTXSID9059755	N1C2=C(C3=C1C=CC1=CC=CC=C31)C1=CC=CC=C1C=C2	STJXCDGCXVZHDU-UHFFFAOYSA-N	N1C2=C(C3=C1C=CC1=CC=CC=C31)C1=CC=CC=C1C=C2	RAHC	ROC Edition 14
205-82-3	Benzo(j)fluoranthene	DTXSID8052691	C1=CC2=C(C=C1)C1=C(C=C2)C2=CC=CC3=CC=CC1=C23	KHNYNFUTFKJLDD-UHFFFAOYSA-N	C1=CC2=C(C=C1)C1=C(C=C2)C2=CC=CC3=CC=CC1=C23	RAHC	ROC Edition 14
205-99-2	Benzo(b)fluoranthene	DTXSID0023907	C1=CC=C2C(=C1)C1=CC=CC3=C4C=CC=CC4=CC2=C13	FTOVXSOBNPWTSH-UHFFFAOYSA-N	C1=CC=C2C(=C1)C1=CC=CC3=C4C=CC=CC4=CC2=C13	RAHC	ROC Edition 14
207-08-9	Benzo(k)fluoranthene	DTXSID0023909	C1=CC2=CC3=C(C=C2C=C1)C1=C2C3=CC=CC2=CC=C1	HAXBIWFMXWRORI-UHFFFAOYSA-N	C1=CC2=CC3=C(C=C2C=C1)C1=C2C3=CC=CC2=CC=C1	RAHC	ROC Edition 14
224-42-0	"Dibenz[a,j]acridine"	DTXSID4059758	C1=CC=C2C(C=CC3=NC4=C(C=C23)C2=CC=CC=C2C=C4)=C1	ANUCHZVCBDOPOX-UHFFFAOYSA-N	C1=CC=C2C(C=CC3=NC4=C(C=C23)C2=CC=CC=C2C=C4)=C1	RAHC	ROC Edition 14
226-36-8	"Dibenz[a,h]acridine"	DTXSID3059761	C1=CC=C2C(C=CC3=C2C=C2C=CC4=CC=CC=C4C2=N3)=C1	JNCSIWAONQTVCF-UHFFFAOYSA-N	C1=CC=C2C(C=CC3=C2C=C2C=CC4=CC=CC=C4C2=N3)=C1	RAHC	ROC Edition 14
23214-92-8	Doxorubicin	DTXSID8021480	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(=O)CO)C(=O)C2=CC=C1	AOJJSUZBOXZQNB-TZSSRYMLSA-N	COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO	RAHC	ROC Edition 14
23246-96-0	Riddelliine	DTXSID4026006	C\C=C1\CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23	SVCNNZDUGWLODJ-RAYFHMIRSA-N	CC=C1CC(=C)C(O)(CO)C(=O)OCC2=CCN3CCC(OC1=O)C23	RAHC	ROC Edition 14
2385-85-5	Mirex	DTXSID7020895	ClC12C3(Cl)C4(Cl)C5(Cl)C(Cl)(C1(Cl)C4(Cl)Cl)C2(Cl)C(Cl)(Cl)C35Cl	GVYLCNUFSHDAAW-UHFFFAOYSA-N	ClC12C3(Cl)C4(Cl)C5(Cl)C(Cl)(C1(Cl)C4(Cl)Cl)C2(Cl)C(Cl)(Cl)C35Cl	RAHC	ROC Edition 14
2475-45-8	C.I. Disperse Blue 1	DTXSID7020188	NC1=CC=C(N)C2=C1C(=O)C1=C(N)C=CC(N)=C1C2=O	JSFUMBWFPQSADC-UHFFFAOYSA-N	NC1=CC=C(N)C2=C1C(=O)C1=C(N)C=CC(N)=C1C2=O	RAHC	ROC Edition 14
25013-16-5	Butylated hydroxyanisole	DTXSID7020215	-	-	-	RAHC	ROC Edition 14
25316-40-9	Adriamycin hydrochloride 	DTXSID3030636	Cl.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(=O)CO)C(=O)C2=CC=C1	MWWSFMDVAYGXBV-RUELKSSGSA-N	COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO	RAHC	ROC Edition 14
26471-62-5	Toluene diisocyanate	DTXSID0024341	-	-	-	RAHC	ROC Edition 14
298-81-7	8-Methoxypsoralen	DTXSID8020830	COC1=C2OC(=O)C=CC2=CC2=C1OC=C2	QXKHYNVANLEOEG-UHFFFAOYSA-N	COC1=C2OC(=O)C=CC2=CC2=C1OC=C2	Known	ROC Edition 14
302-01-2	Hydrazine	DTXSID3020702	NN	OAKJQQAXSVQMHS-UHFFFAOYSA-N	-	RAHC	ROC Edition 14
303-47-9	Ochratoxin A	DTXSID7021073	C[C@@H]1CC2=C(C(=O)O1)C(O)=C(C=C2Cl)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O	RWQKHEORZBHNRI-BMIGLBTASA-N	CC1CC2=C(Cl)C=C(C(=O)NC(CC3=CC=CC=C3)C(O)=O)C(O)=C2C(=O)O1	RAHC	ROC Edition 14
305-03-3	Chlorambucil	DTXSID7020263	OC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl	JCKYGMPEJWAADB-UHFFFAOYSA-N	OC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl	Known	ROC Edition 14
3165-93-3	4-Chloro-2-methylaniline hydrochloride	DTXSID0020288	Cl.CC1=C(N)C=CC(Cl)=C1	VKYZDCTWJGBFDW-UHFFFAOYSA-N	CC1=C(N)C=CC(Cl)=C1	RAHC	ROC Edition 14
320-67-2	5-Azacytidine	DTXSID9020116	NC1=NC(=O)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	NMUSYJAQQFHJEW-KVTDHHQDSA-N	NC1=NC(=O)N(C=N1)C1OC(CO)C(O)C1O	RAHC	ROC Edition 14
3296-90-0	Pentaerythritol dibromide	DTXSID9020164	OCC(CO)(CBr)CBr	CHUGKEQJSLOLHL-UHFFFAOYSA-N	OCC(CO)(CBr)CBr	RAHC	ROC Edition 14
36355-01-8	Hexabromobiphenyl	DTXSID3025382	"Cl*.Cl*.C1=CC=C(C=C1)C1=CC=CC=C1 |c:2,4,6,11,13,t:9,lp:0:3,2:3,m:1:11.12.13.14.15,3:4.5.6.8.9,Sg:n:0:x:ht,Sg:n:2:y:ht|"	-	-	RAHC	ROC Edition 14
366-70-1	Procarbazine hydrochloride	DTXSID3021190	Cl.CNNCC1=CC=C(C=C1)C(=O)NC(C)C	DERJYEZSLHIUKF-UHFFFAOYSA-N	CNNCC1=CC=C(C=C1)C(=O)NC(C)C	RAHC	ROC Edition 14
3697-24-3	5-Methylchrysene	DTXSID6063143	CC1=CC2=CC=CC=C2C2=C1C1=CC=CC=C1C=C2	GOHBXWHNJHENRX-UHFFFAOYSA-N	CC1=CC2=CC=CC=C2C2=C1C1=CC=CC=C1C=C2	RAHC	ROC Edition 14
39156-41-7	"2,4-Diaminoanisole sulfate"	DTXSID7020398	OS(O)(=O)=O.COC1=C(N)C=C(N)C=C1	FDJQHYWUHGBBTO-UHFFFAOYSA-N	COC1=CC=C(N)C=C1N	RAHC	ROC Edition 14
42397-64-8	"1,6-Dinitropyrene"	DTXSID90872819	[O-][N+](=O)C1=CC=C2C=CC3=C(C=CC4=CC=C1C2=C34)[N+]([O-])=O	GUXACCKTQWVTLG-UHFFFAOYSA-N	[O-][N+](=O)C1=CC=C2C=CC3=C(C=CC4=CC=C1C2=C34)[N+]([O-])=O	RAHC	ROC Edition 14
42397-65-9	"1,8-Dinitropyrene"	DTXSID2073514	[O-][N+](=O)C1=CC=C2C=CC3=CC=C(C4=CC=C1C2=C34)[N+]([O-])=O	BLYXNIHKOMELAP-UHFFFAOYSA-N	[O-][N+](=O)C1=CC=C2C=CC3=CC=C(C4=CC=C1C2=C34)[N+]([O-])=O	RAHC	ROC Edition 14
434-07-1	Oxymetholone	DTXSID5023794	[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)\C(C[C@]12C)=C/O	ICMWWNHDUZJFDW-DHODBPELSA-N	CC1(O)CCC2C3CCC4CC(=O)C(CC4(C)C3CCC12C)C=O	RAHC	ROC Edition 14
443-48-1	Metronidazole	DTXSID2020892	CC1=NC=C(N1CCO)[N+]([O-])=O	VAOCPAMSLUNLGC-UHFFFAOYSA-N	CC1=NC=C(N1CCO)[N+]([O-])=O	RAHC	ROC Edition 14
446-86-6	Azathioprine	DTXSID4020119	CN1C=NC(=C1SC1=NC=NC2=C1NC=N2)[N+]([O-])=O	LMEKQMALGUDUQG-UHFFFAOYSA-N	CN1C=NC(=C1SC1=NC=NC2=C1NC=N2)[N+]([O-])=O	Known	ROC Edition 14
4549-40-0	N-Nitrosomethylvinylamine	DTXSID3042211	CN(CN=O)C=C	MFCHWYSOGVAXNC-UHFFFAOYSA-N	CN(CN=O)C=C	RAHC	ROC Edition 14
50-00-0	Formaldehyde	DTXSID7020637	C=O	WSFSSNUMVMOOMR-UHFFFAOYSA-N	C=O	Known	ROC Edition 14
50-18-0	Cyclophosphamide	DTXSID5020364	ClCCN(CCCl)P1(=O)NCCCO1	CMSMOCZEIVJLDB-UHFFFAOYSA-N	ClCCN(CCCl)P1(=O)NCCCO1	Known	ROC Edition 14
50-29-3	Dichlorodiphenyltrichloroethane	DTXSID4020375	ClC1=CC=C(C=C1)C(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl	YVGGHNCTFXOJCH-UHFFFAOYSA-N	ClC1=CC=C(C=C1)C(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl	RAHC	ROC Edition 14
50-32-8	Benzo(a)pyrene	DTXSID2020139	C1=CC2=CC3=CC=C4C=CC=C5C=CC(=C2C=C1)C3=C45	FMMWHPNWAFZXNH-UHFFFAOYSA-N	C1=CC2=CC3=CC=C4C=CC=C5C=CC(=C2C=C1)C3=C45	RAHC	ROC Edition 14
50-55-5	Reserpine	DTXSID7021237	[H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2	QEVHRUUCFGRFIF-MDEJGZGSSA-N	COC1C(CC2CN3CCC4=C(NC5=C4C=CC(OC)=C5)C3CC2C1C(=O)OC)OC(=O)C1=CC(OC)=C(OC)C(OC)=C1	RAHC	ROC Edition 14
505-60-2	Bis-(2-chloroethyl)sulfide	DTXSID0037100	ClCCSCCCl	QKSKPIVNLNLAAV-UHFFFAOYSA-N	ClCCSCCCl	Known	ROC Edition 14
509-14-8	Tetranitromethane	DTXSID5021334	[O-][N+](=O)C([N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O	NYTOUQBROMCLBJ-UHFFFAOYSA-N	[O-][N+](=O)C([N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O	RAHC	ROC Edition 14
513-37-1	"2,2-Dimethylvinyl chloride"	DTXSID5020520	CC(C)=CCl	KWISWUFGPUHDRY-UHFFFAOYSA-N	CC(C)=CCl	RAHC	ROC Edition 14
51-52-5	6-Propyl-2-thiouracil	DTXSID5021209	CCCC1=CC(=O)NC(=S)N1	KNAHARQHSZJURB-UHFFFAOYSA-N	CCCC1=NC(=S)NC(=O)C1	RAHC	ROC Edition 14
51-79-6	Urethane	DTXSID9021427	CCOC(N)=O	JOYRKODLDBILNP-UHFFFAOYSA-N	CCOC(N)=O	RAHC	ROC Edition 14
52-24-4	Thiotepa	DTXSID0021339	S=P(N1CC1)(N1CC1)N1CC1	FOCVUCIESVLUNU-UHFFFAOYSA-N	S=P(N1CC1)(N1CC1)N1CC1	Known	ROC Edition 14
53-70-3	"Dibenz(a,h)anthracene"	DTXSID9020409	C1=CC2=CC=C3C=C4C(C=CC5=CC=CC=C45)=CC3=C2C=C1	LHRCREOYAASXPZ-UHFFFAOYSA-N	C1=CC2=CC=C3C=C4C(C=CC5=CC=CC=C45)=CC3=C2C=C1	RAHC	ROC Edition 14
53-96-3	2-Acetylaminofluorene	DTXSID0039227	CC(=O)NC1=CC=C2C(CC3=C2C=CC=C3)=C1	CZIHNRWJTSTCEX-UHFFFAOYSA-N	CC(=O)NC1=CC=C2C(CC3=C2C=CC=C3)=C1	RAHC	ROC Edition 14
542-75-6	"1,3-Dichloropropene"	DTXSID1022057	ClCC=CCl	UOORRWUZONOOLO-UHFFFAOYSA-N	ClCC=CCl	RAHC	ROC Edition 14
542-88-1	bis(Chloromethyl) ether	DTXSID8020173	ClCOCCl	HRQGCQVOJVTVLU-UHFFFAOYSA-N	ClCOCCl	Known	ROC Edition 14
54749-90-5	Chlorozotocin	DTXSID9020320	OC[C@H]1O[C@H](O)[C@H](NC(=O)N(CCCl)N=O)[C@@H](O)[C@@H]1O	MYBLAOJMRYYKMS-PVFLNQBWSA-N	OCC1OC(O)C(NC(=O)N(CCCl)N=O)C(O)C1O	RAHC	ROC Edition 14
55-18-5	N-Nitrosodiethylamine	DTXSID2021028	CCN(CC)N=O	WBNQDOYYEUMPFS-UHFFFAOYSA-N	CCN(CC)N=O	RAHC	ROC Edition 14
5522-43-0	1-Nitropyrene	DTXSID6020983	[O-][N+](=O)C1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34	ALRLPDGCPYIVHP-UHFFFAOYSA-N	[O-][N+](=O)C1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34	RAHC	ROC Edition 14
556-52-5	Glycidol	DTXSID4020666	OCC1CO1	CTKINSOISVBQLD-UHFFFAOYSA-N	OCC1CO1	RAHC	ROC Edition 14
55-86-7	Nitrogen mustard hydrochloride	DTXSID8025757	Cl.CN(CCCl)CCCl	QZIQJVCYUQZDIR-UHFFFAOYSA-N	CN(CCCl)CCCl	RAHC	ROC Edition 14
55-98-1	Busulfan	DTXSID3020910	CS(=O)(=O)OCCCCOS(C)(=O)=O	COVZYZSDYWQREU-UHFFFAOYSA-N	CS(=O)(=O)OCCCCOS(C)(=O)=O	Known	ROC Edition 14
56-23-5	Carbon tetrachloride	DTXSID8020250	ClC(Cl)(Cl)Cl	VZGDMQKNWNREIO-UHFFFAOYSA-N	ClC(Cl)(Cl)Cl	RAHC	ROC Edition 14
563-47-3	3-Chloro-2-methylpropene	DTXSID1020279	CC(=C)CCl	OHXAOPZTJOUYKM-UHFFFAOYSA-N	CC(=C)CCl	RAHC	ROC Edition 14
56-53-1	Diethylstilbestrol	DTXSID3020465	CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1	RGLYKWWBQGJZGM-ISLYRVAYSA-N	CCC(=C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1	Known	ROC Edition 14
56-55-3	Benz(a)anthracene	DTXSID5023902	C1=CC2=C(C=C1)C=C1C(C=CC3=C1C=CC=C3)=C2	DXBHBZVCASKNBY-UHFFFAOYSA-N	C1=CC2=C(C=C1)C=C1C(C=CC3=C1C=CC=C3)=C2	RAHC	ROC Edition 14
56-75-7	Chloramphenicol	DTXSID7020265	OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O	WIIZWVCIJKGZOK-RKDXNWHRSA-N	OCC(NC(=O)C(Cl)Cl)C(O)C1=CC=C(C=C1)[N+]([O-])=O	RAHC	ROC Edition 14
569-61-9	C.I. Basic Red 9 monohydrochloride	DTXSID1021247	Cl.NC1=CC=C(C=C1)C(C1=CC=C(N)C=C1)=C1C=CC(=N)C=C1	JUQPZRLQQYSMEQ-UHFFFAOYSA-N	NC1=CC=C(C=C1)C(C1=CC=C(N)C=C1)=C1C=CC(=N)C=C1	RAHC	ROC Edition 14
57-14-7	"1,1-Dimethylhydrazine"	DTXSID1020516	CN(C)N	RHUYHJGZWVXEHW-UHFFFAOYSA-N	CN(C)N	RAHC	ROC Edition 14
57-41-0	"5,5-Diphenylhydantoin"	DTXSID8020541	O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1	CXOFVDLJLONNDW-UHFFFAOYSA-N	O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1	RAHC	ROC Edition 14
57-57-8	beta-Propiolactone	DTXSID8021197	O=C1CCO1	VEZXCJBBBCKRPI-UHFFFAOYSA-N	O=C1CCO1	RAHC	ROC Edition 14
57-83-0	Progesterone	DTXSID3022370	[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	RJKFOVLPORLFTN-LEKSSAKUSA-N	CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C	RAHC	ROC Edition 14
57835-92-4	4-Nitropyrene	DTXSID5074844	[O-][N+](=O)C1=CC2=CC=CC3=CC=C4C=CC=C1C4=C23	UISKIUIWPSPSAV-UHFFFAOYSA-N	[O-][N+](=O)C1=CC2=CC=CC3=CC=C4C=CC=C1C4=C23	RAHC	ROC Edition 14
584-84-9	"Toluene-2,4-diisocyanate"	DTXSID7026156	CC1=CC=C(C=C1N=C=O)N=C=O	DVKJHBMWWAPEIU-UHFFFAOYSA-N	CC1=CC=C(C=C1N=C=O)N=C=O	RAHC	ROC Edition 14
58-89-9	Lindane	DTXSID2020686	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl	JLYXXMFPNIAWKQ-GNIYUCBRSA-N	ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl	RAHC	ROC Edition 14
593-60-2	Vinyl bromide	DTXSID8021432	BrC=C	INLLPKCGLOXCIV-UHFFFAOYSA-N	BrC=C	RAHC	ROC Edition 14
59536-65-1	Polybrominated biphenyls (PBB)	DTXSID5021174	"[*]C1=C([*])C([*])=C(C([*])=C1[*])C1=C([*])C([*])=C([*])C([*])=C1[*] |$_R1;;;_R1;;_R1;;;_R1;;_R1;;;_R1;;_R1;;_R1;;_R1;;_R1$,c:1,5,8,12,20,t:16,RG:_R1={Br* |$;_AP1$,lp:0:3|},LOG={_R1:;H;>0}|"	-	-	RAHC	ROC Edition 14
59865-13-3	Cyclosporin A	DTXSID0020365	CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C	PMATZTZNYRCHOR-CGLBZJNRSA-N	CCC1NC(=O)C(C(O)C(C)CC=CC)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C	Known	ROC Edition 14
59-89-2	N-Nitrosomorpholine	DTXSID4021056	O=NN1CCOCC1	ZKXDGKXYMTYWTB-UHFFFAOYSA-N	O=NN1CCOCC1	RAHC	ROC Edition 14
60-11-7	4-(Dimethylamino)azobenzene	DTXSID5020491	CN(C)C1=CC=C(C=C1)N=NC1=CC=CC=C1	JCYPECIVGRXBMO-UHFFFAOYSA-N	CN(C)C1=CC=C(C=C1)N=NC1=CC=CC=C1	RAHC	ROC Edition 14
612-83-9	"3,3'-Dichlorobenzidine dihydrochloride"	DTXSID1020433	Cl.Cl.NC1=CC=C(C=C1Cl)C1=CC(Cl)=C(N)C=C1	BXAONUZFBUNTQR-UHFFFAOYSA-N	NC1=C(Cl)C=C(C=C1)C1=CC(Cl)=C(N)C=C1	RAHC	ROC Edition 14
61288-13-9	Octabromobiphenyl	-	-	-	-	RAHC	ROC Edition 14
61-82-5	Amitrole	DTXSID0020076	NC1=NNC=N1	KLSJWNVTNUYHDU-UHFFFAOYSA-N	NC1=NNC=N1	RAHC	ROC Edition 14
621-64-7	N-Nitrosodipropylamine	DTXSID6021032	CCCN(CCC)N=O	YLKFDHTUAUWZPQ-UHFFFAOYSA-N	CCCN(CCC)N=O	RAHC	ROC Edition 14
62-44-2	Phenacetin	DTXSID1021116	CCOC1=CC=C(NC(C)=O)C=C1	CPJSUEIXXCENMM-UHFFFAOYSA-N	CCOC1=CC=C(NC(C)=O)C=C1	RAHC	ROC Edition 14
62-50-0	Ethyl methanesulfonate	DTXSID6025309	CCOS(C)(=O)=O	PLUBXMRUUVWRLT-UHFFFAOYSA-N	CCOS(C)(=O)=O	RAHC	ROC Edition 14
62-55-5	Thioacetamide	DTXSID9021340	CC(N)=S	YUKQRDCYNOVPGJ-UHFFFAOYSA-N	CC(N)=S	RAHC	ROC Edition 14
62-56-6	Thiourea	DTXSID9021348	NC(N)=S	UMGDCJDMYOKAJW-UHFFFAOYSA-N	NC(N)=S	RAHC	ROC Edition 14
62-75-9	N-Nitrosodimethylamine	DTXSID7021029	CN(C)N=O	UMFJAHHVKNCGLG-UHFFFAOYSA-N	CN(C)N=O	RAHC	ROC Edition 14
630-93-3	Diphenylhydantoin sodium	DTXSID2023775	[Na+].O=C1NC(C(=O)[N-]1)(C1=CC=CC=C1)C1=CC=CC=C1	FJPYVLNWWICYDW-UHFFFAOYSA-M	O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1	RAHC	ROC Edition 14
63-92-3	Phenoxybenzamine hydrochloride	DTXSID0021127	Cl.CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1	VBCPVIWPDJVHAN-UHFFFAOYSA-N	CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1	RAHC	ROC Edition 14
64091-91-4	4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone	DTXSID3020881	CN(CCCC(=O)C1=CC=CN=C1)N=O	FLAQQSHRLBFIEZ-UHFFFAOYSA-N	CN(CCCC(=O)C1=CC=CN=C1)N=O	RAHC	ROC Edition 14
64-67-5	Diethyl sulfate	DTXSID1024045	CCOS(=O)(=O)OCC	DENRZWYUOJLTMF-UHFFFAOYSA-N	CCOS(=O)(=O)OCC	RAHC	ROC Edition 14
66-27-3	Methyl methanesulfonate	DTXSID7020845	COS(C)(=O)=O	MBABOKRGFJTBAE-UHFFFAOYSA-N	COS(C)(=O)=O	RAHC	ROC Edition 14
671-16-9	Procarbazine	DTXSID4021189	CNNCC1=CC=C(C=C1)C(=O)NC(C)C	CPTBDICYNRMXFX-UHFFFAOYSA-N	CNNCC1=CC=C(C=C1)C(=O)NC(C)C	RAHC	ROC Edition 14
67123-64-2	Aristolochic acids	DTXSID70217421	OC(=O)C1=CC2=C(OCO2)C2=C1C(=CC1=CC=CC=C21)[N+]([O-])=O.COC1=CC=CC2=C3C4=C(OCO4)C=C(C(O)=O)C3=C(C=C12)[N+]([O-])=O.COC1=CC=CC2=C3C4=C(OCO4)C=C(C(O)=O)C3=C(C=C12)[N+]([O-])=O	FGGYSLIDOXIJNP-UHFFFAOYSA-N	-	Known	ROC Edition 14
67-66-3	Chloroform	DTXSID1020306	ClC(Cl)Cl	HEDRZPFGACZZDS-UHFFFAOYSA-N	ClC(Cl)Cl	RAHC	ROC Edition 14
67-72-1	Hexachloroethane	DTXSID7020689	ClC(Cl)(Cl)C(Cl)(Cl)Cl	VHHHONWQHHHLTI-UHFFFAOYSA-N	ClC(Cl)(Cl)C(Cl)(Cl)Cl	RAHC	ROC Edition 14
680-31-9	Hexamethylphosphoramide	DTXSID6020694	CN(C)P(=O)(N(C)C)N(C)C	GNOIPBMMFNIUFM-UHFFFAOYSA-N	CN(C)P(=O)(N(C)C)N(C)C	RAHC	ROC Edition 14
68-22-4	Norethindrone	DTXSID9023380	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C	VIKNJXKGJWUCNN-XGXHKTLJSA-N	CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C	RAHC	ROC Edition 14
684-93-5	N-Nitroso-N-methylurea	DTXSID4021006	CN(N=O)C(N)=O	ZRKWMRDKSOPRRS-UHFFFAOYSA-N	CN(N=O)C(N)=O	RAHC	ROC Edition 14
70-25-7	Methylnitronitrosoguanidine	DTXSID2020846	CN(N=O)C(=N)N[N+]([O-])=O	VZUNGTLZRAYYDE-UHFFFAOYSA-N	CN(N=O)C(=N)N[N+]([O-])=O	RAHC	ROC Edition 14
71-43-2	Benzene	DTXSID3039242	C1=CC=CC=C1	UHOVQNZJYSORNB-UHFFFAOYSA-N	C1=CC=CC=C1	Known	ROC Edition 14
7439-92-1	Lead	DTXSID2024161	[Pb]	WABPQHHGFIMREM-UHFFFAOYSA-N	-	RAHC	ROC Edition 14
7440-02-0	Nickel	DTXSID2020925	[Ni]	PXHVJJICTQNCMI-UHFFFAOYSA-N	-	RAHC	ROC Edition 14
7440-38-2	Arsenic	DTXSID4023886	[As]	RQNWIZPPADIBDY-UHFFFAOYSA-N	-	Known	ROC Edition 14
7440-41-7	Beryllium	DTXSID4023913	[Be]	RWASOQSEFLDYLC-UHFFFAOYSA-N	-	Known	ROC Edition 14
7440-43-9	Cadmium	DTXSID1023940	[Cd]	BDOSMKKIYDKNTQ-UHFFFAOYSA-N	-	Known	ROC Edition 14
7440-48-4	Cobalt	DTXSID1031040	[Co]	GUTLYIVDDKVIGB-UHFFFAOYSA-N	-	RAHC	ROC Edition 14
7446-34-6	Selenium sulfide (SeS)	DTXSID9021265	S=[Se]	VIDTVPHHDGRGAF-UHFFFAOYSA-N	-	RAHC	ROC Edition 14
75-01-4	Vinyl chloride	DTXSID8021434	ClC=C	BZHJMEDXRYGGRV-UHFFFAOYSA-N	ClC=C	Known	ROC Edition 14
75-02-5	Vinyl fluoride	DTXSID3021435	FC=C	XUCNUKMRBVNAPB-UHFFFAOYSA-N	FC=C	RAHC	ROC Edition 14
75-07-0	Acetaldehyde	DTXSID5039224	CC=O	IKHGUXGNUITLKF-UHFFFAOYSA-N	CC=O	RAHC	ROC Edition 14
75-09-2	Dichloromethane	DTXSID0020868	ClCCl	YMWUJEATGCHHMB-UHFFFAOYSA-N	ClCCl	RAHC	ROC Edition 14
75-21-8	Ethylene oxide	DTXSID0020600	C1CO1	IAYPIBMASNFSPL-UHFFFAOYSA-N	C1CO1	Known	ROC Edition 14
75-27-4	Bromodichloromethane	DTXSID1020198	ClC(Cl)Br	FMWLUWPQPKEARP-UHFFFAOYSA-N	ClC(Cl)Br	RAHC	ROC Edition 14
75-52-5	Nitromethane	DTXSID2020977	C[N+]([O-])=O	LYGJENNIWJXYER-UHFFFAOYSA-N	C[N+]([O-])=O	RAHC	ROC Edition 14
75-55-8	Propyleneimine	DTXSID8024286	CC1CN1	OZDGMOYKSFPLSE-UHFFFAOYSA-N	CC1CN1	RAHC	ROC Edition 14
75-56-9	"1,2-Propylene oxide"	DTXSID5021207	CC1CO1	GOOHAUXETOMSMM-UHFFFAOYSA-N	CC1CO1	RAHC	ROC Edition 14
759-73-9	1-Ethyl-1-nitrosourea	DTXSID8020593	CCN(N=O)C(N)=O	FUSGACRLAFQQRL-UHFFFAOYSA-N	CCN(N=O)C(N)=O	RAHC	ROC Edition 14
76180-96-6	"2-Amino-3-methyl-3H-imidazo[4,5-f]quinoline"	DTXSID4020745	CN1C(N)=NC2=C1C=CC1=C2C=CC=N1	ARZWATDYIYAUTA-UHFFFAOYSA-N	CN1C(N)=NC2=C1C=CC1=C2C=CC=N1	RAHC	ROC Edition 14
7664-93-9	Sulfuric acid	DTXSID5029683	OS(O)(=O)=O	QAOWNCQODCNURD-UHFFFAOYSA-N	-	Known	ROC Edition 14
77094-11-2	MeIQ	DTXSID6020800	CN1C(N)=NC2=C1C(C)=CC1=NC=CC=C21	GMGWMIJIGUYNAY-UHFFFAOYSA-N	CN1C(N)=NC2=C1C(C)=CC1=NC=CC=C21	RAHC	ROC Edition 14
77-09-8	Phenolphthalein	DTXSID0021125	OC1=CC=C(C=C1)C1(OC(=O)C2=C1C=CC=C2)C1=CC=C(O)C=C1	KJFMBFZCATUALV-UHFFFAOYSA-N	OC1=CC=C(C=C1)C1(OC(=O)C2=C1C=CC=C2)C1=CC=C(O)C=C1	RAHC	ROC Edition 14
77500-04-0	MeIQx	DTXSID1020801	CN1C(N)=NC2=C1C=CC1=NC=C(C)N=C21	DVCCCQNKIYNAKB-UHFFFAOYSA-N	CN1C(N)=NC2=C1C=CC1=NC=C(C)N=C21	RAHC	ROC Edition 14
77-78-1	Dimethyl sulfate	DTXSID5024055	COS(=O)(=O)OC	VAYGXNSJCAHWJZ-UHFFFAOYSA-N	COS(=O)(=O)OC	RAHC	ROC Edition 14
78-79-5	Isoprene	DTXSID2020761	CC(=C)C=C	RRHGJUQNOFWUDK-UHFFFAOYSA-N	CC(=C)C=C	RAHC	ROC Edition 14
79-01-6	Trichloroethylene	DTXSID0021383	ClC=C(Cl)Cl	XSTXAVWGXDQKEL-UHFFFAOYSA-N	ClC=C(Cl)Cl	Known	ROC Edition 14
79-06-1	Acrylamide	DTXSID5020027	NC(=O)C=C	HRPVXLWXLXDGHG-UHFFFAOYSA-N	NC(=O)C=C	RAHC	ROC Edition 14
79-44-7	Dimethylcarbamoyl chloride	DTXSID1020512	CN(C)C(Cl)=O	YIIMEMSDCNDGTB-UHFFFAOYSA-N	CN(C)C(Cl)=O	RAHC	ROC Edition 14
79-46-9	2-Nitropropane	DTXSID6020981	CC(C)[N+]([O-])=O	FGLBSLMDCBOPQK-UHFFFAOYSA-N	CC(C)[N+]([O-])=O	RAHC	ROC Edition 14
8001-35-2	Toxaphene	DTXSID7021368	-	-	-	RAHC	ROC Edition 14
8007-45-2	Coal tar	DTXSID1027683	-	-	-	Known	ROC Edition 14
81-49-2	"1-Amino-2,4-dibromoanthraquinone"	DTXSID4039235	NC1=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C(Br)C=C1Br	ZINRVIQBCHAZMM-UHFFFAOYSA-N	NC1=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C(Br)C=C1Br	RAHC	ROC Edition 14
82-28-0	1-Amino-2-methylanthraquinone	DTXSID7020057	CC1=CC=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C1N	ZLCUIOWQYBYEBG-UHFFFAOYSA-N	CC1=CC=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C1N	RAHC	ROC Edition 14
87-86-5	Pentachlorophenol	DTXSID7021106	OC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl	IZUPBVBPLAPZRR-UHFFFAOYSA-N	OC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl	RAHC	ROC Edition 14
88-06-2	"2,4,6-Trichlorophenol"	DTXSID5021386	OC1=C(Cl)C=C(Cl)C=C1Cl	LINPIYWFGCPVIE-UHFFFAOYSA-N	OC1=C(Cl)C=C(Cl)C=C1Cl	RAHC	ROC Edition 14
88-72-2	2-Nitrotoluene	DTXSID4025791	CC1=CC=CC=C1[N+]([O-])=O	PLAZTCDQAHEYBI-UHFFFAOYSA-N	CC1=CC=CC=C1[N+]([O-])=O	RAHC	ROC Edition 14
90-04-0	2-Anisidine	DTXSID5023877	COC1=CC=CC=C1N	VMPITZXILSNTON-UHFFFAOYSA-N	COC1=CC=CC=C1N	RAHC	ROC Edition 14
9004-66-4	Iron dextran	DTXSID1031464	-	-	-	RAHC	ROC Edition 14
90-94-8	Michler's ketone	DTXSID2020894	CN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)C	VVBLNCFGVYUYGU-UHFFFAOYSA-N	CN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)C	RAHC	ROC Edition 14
91-08-7	"Toluene-2,6-diisocyanate"	DTXSID2026157	CC1=C(C=CC=C1N=C=O)N=C=O	RUELTTOHQODFPA-UHFFFAOYSA-N	CC1=C(C=CC=C1N=C=O)N=C=O	RAHC	ROC Edition 14
91-20-3	Naphthalene	DTXSID8020913	C1=CC2=CC=CC=C2C=C1	UFWIBTONFRDIAS-UHFFFAOYSA-N	C1=CC2=CC=CC=C2C=C1	RAHC	ROC Edition 14
91-23-6	1-Methoxy-2-nitrobenzene	DTXSID3020962	COC1=C(C=CC=C1)[N+]([O-])=O	CFBYEGUGFPZCNF-UHFFFAOYSA-N	COC1=C(C=CC=C1)[N+]([O-])=O	RAHC	ROC Edition 14
91-59-8	2-Naphthylamine	DTXSID2020921	NC1=CC2=C(C=CC=C2)C=C1	JBIJLHTVPXGSAM-UHFFFAOYSA-N	NC1=CC2=C(C=CC=C2)C=C1	Known	ROC Edition 14
91-94-1	"3,3'-Dichlorobenzidine"	DTXSID6020432	NC1=C(Cl)C=C(C=C1)C1=CC(Cl)=C(N)C=C1	HUWXDEQWWKGHRV-UHFFFAOYSA-N	NC1=C(Cl)C=C(C=C1)C1=CC(Cl)=C(N)C=C1	RAHC	ROC Edition 14
924-16-3	N-Nitrosodibutylamine	DTXSID2021026	CCCCN(CCCC)N=O	YGJHZCLPZAZIHH-UHFFFAOYSA-N	CCCCN(CCCC)N=O	RAHC	ROC Edition 14
92-67-1	4-Biphenylamine	DTXSID5020071	NC1=CC=C(C=C1)C1=CC=CC=C1	DMVOXQPQNTYEKQ-UHFFFAOYSA-N	NC1=CC=C(C=C1)C1=CC=CC=C1	Known	ROC Edition 14
92-87-5	Benzidine	DTXSID2020137	NC1=CC=C(C=C1)C1=CC=C(N)C=C1	HFACYLZERDEVSX-UHFFFAOYSA-N	NC1=CC=C(C=C1)C1=CC=C(N)C=C1	Known	ROC Edition 14
930-55-2	N-Nitrosopyrrolidine	DTXSID8021062	O=NN1CCCC1	WNYADZVDBIBLJJ-UHFFFAOYSA-N	O=NN1CCCC1	RAHC	ROC Edition 14
93-15-2	Methyleugenol	DTXSID5025607	COC1=CC=C(CC=C)C=C1OC	ZYEMGPIYFIJGTP-UHFFFAOYSA-N	COC1=CC=C(CC=C)C=C1OC	RAHC	ROC Edition 14
94-59-7	Safrole	DTXSID0021254	C=CCC1=CC=C2OCOC2=C1	ZMQAAUBTXCXRIC-UHFFFAOYSA-N	C=CCC1=CC=C2OCOC2=C1	RAHC	ROC Edition 14
95-06-7	Sulfallate	DTXSID7021289	CCN(CC)C(=S)SCC(Cl)=C	XJCLWVXTCRQIDI-UHFFFAOYSA-N	CCN(CC)C(=S)SCC(Cl)=C	RAHC	ROC Edition 14
95-53-4	2-Methylaniline	DTXSID1026164	CC1=C(N)C=CC=C1	RNVCVTLRINQCPJ-UHFFFAOYSA-N	CC1=C(N)C=CC=C1	Known	ROC Edition 14
95-69-2	4-Chloro-2-methylaniline	DTXSID1041508	CC1=C(N)C=CC(Cl)=C1	CXNVOWPRHWWCQR-UHFFFAOYSA-N	CC1=C(N)C=CC(Cl)=C1	RAHC	ROC Edition 14
95-80-7	"2,4-Diaminotoluene"	DTXSID4020402	CC1=C(N)C=C(N)C=C1	VOZKAJLKRJDJLL-UHFFFAOYSA-N	CC1=C(N)C=C(N)C=C1	RAHC	ROC Edition 14
95-83-0	"4-Chloro-1,2-diaminobenzene"	DTXSID5020283	NC1=C(N)C=C(Cl)C=C1	BXIXXXYDDJVHDL-UHFFFAOYSA-N	NC1=C(N)C=C(Cl)C=C1	RAHC	ROC Edition 14
96-09-3	Styrene oxide	DTXSID2021286	C1OC1C1=CC=CC=C1	AWMVMTVKBNGEAK-UHFFFAOYSA-N	C1OC1C1=CC=CC=C1	RAHC	ROC Edition 14
96-12-8	"1,2-Dibromo-3-chloropropane"	DTXSID3020413	ClCC(Br)CBr	WBEJYOJJBDISQU-UHFFFAOYSA-N	ClCC(Br)CBr	RAHC	ROC Edition 14
96-13-9	"2,3-Dibromopropanol"	DTXSID7021817	OCC(Br)CBr	QWVCIORZLNBIIC-UHFFFAOYSA-N	OCC(Br)CBr	RAHC	ROC Edition 14
96-18-4	"1,2,3-Trichloropropane"	DTXSID9021390	ClCC(Cl)CCl	CFXQEHVMCRXUSD-UHFFFAOYSA-N	ClCC(Cl)CCl	RAHC	ROC Edition 14
96-45-7	Ethylene thiourea	DTXSID5020601	S=C1NCCN1	PDQAZBWRQCGBEV-UHFFFAOYSA-N	S=C1NCCN1	RAHC	ROC Edition 14
97-56-3	2-Amino-5-azotoluene	DTXSID1020069	CC1=C(N)C=CC(=C1)N=NC1=C(C)C=CC=C1	PFRYFZZSECNQOL-UHFFFAOYSA-N	CC1=C(N)C=CC(=C1)N=NC1=C(C)C=CC=C1	RAHC	ROC Edition 14
98-07-7	Benzotrichloride	DTXSID1020148	ClC(Cl)(Cl)C1=CC=CC=C1	XEMRAKSQROQPBR-UHFFFAOYSA-N	ClC(Cl)(Cl)C1=CC=CC=C1	RAHC	ROC Edition 14
98-82-8	Cumene	DTXSID1021827	CC(C)C1=CC=CC=C1	RWGFKTVRMDUZSP-UHFFFAOYSA-N	CC(C)C1=CC=CC=C1	RAHC	ROC Edition 14
98-95-3	Nitrobenzene	DTXSID3020964	[O-][N+](=O)C1=CC=CC=C1	LQNUZADURLCDLV-UHFFFAOYSA-N	[O-][N+](=O)C1=CC=CC=C1	RAHC	ROC Edition 14
NOCAS_23984	Coke oven emissions	DTXSID7023984	-	-	-	Known	ROC Edition 14