SMILES	CAS	Chemical Name	NOEC	Unit	Log Kow	Source
C1COCCO1	123-91-1	1,4-dioxane	0,055	log(mmol/L)	-0,27	OASIS database from OECD toolbox, accessed Sept 2011
CBr	74-83-9	methyl bromide	-2,47	log(mmol/L)	1,19	OASIS database from OECD toolbox, accessed Sept 2011
CBr	74-83-9	methyl bromide	-2,47	log(mmol/L)	1,19	OASIS database from OECD toolbox, accessed Sept 2011
c1(-c2ccccc2)ccccc1	92-52-4	1,1'-biphenyl	-2,66	log(mmol/L)	3,98	OASIS database from OECD toolbox, accessed Sept 2011
c12-c3c(cccc3)Cc1cccc2	86-73-7	9h-fluorene	-3,12	log(mmol/L)	4,18	OASIS database from OECD toolbox, accessed Sept 2011
c12-c3c(cccc3)Cc1cccc2	86-73-7	9h-fluorene	-2,82	log(mmol/L)	4,18	OASIS database from OECD toolbox, accessed Sept 2011
c12c3c4c(ccc3ccc1)cccc4cc2	129-00-0	pyrene	-4,61	log(mmol/L)	4,88	OASIS database from OECD toolbox, accessed Sept 2011
c12c3c4c(ccc3ccc1)cccc4cc2	129-00-0	pyrene	-3,41	log(mmol/L)	4,88	OASIS database from OECD toolbox, accessed Sept 2011
c1(Oc2c(Cl)cc(Cl)cc2)c(O)cc(Cl)cc1	3380-34-5	5-chloro-2-(2,4-dichlorophenoxy)phenol	-4,28	log(mmol/L)	4,8	OASIS database from OECD toolbox, accessed Sept 2011
c1(Oc2c(Cl)cc(Cl)cc2)c(O)cc(Cl)cc1	3380-34-5	5-chloro-2-(2,4-dichlorophenoxy)phenol	-3,97	log(mmol/L)	4,8	OASIS database from OECD toolbox, accessed Sept 2011
c1(Oc2c(Cl)cc(Cl)cc2)c(O)cc(Cl)cc1	3380-34-5	5-chloro-2-(2,4-dichlorophenoxy)phenol	-3,93	log(mmol/L)	4,8	OASIS database from OECD toolbox, accessed Sept 2011
c1(Oc2c(Cl)cc(Cl)cc2)c(O)cc(Cl)cc1	3380-34-5	5-chloro-2-(2,4-dichlorophenoxy)phenol	-3,61	log(mmol/L)	4,8	OASIS database from OECD toolbox, accessed Sept 2011
c1(Oc2c(Cl)cc(Cl)cc2)c(O)cc(Cl)cc1	3380-34-5	5-chloro-2-(2,4-dichlorophenoxy)phenol	-3,27	log(mmol/L)	4,8	OASIS database from OECD toolbox, accessed Sept 2011
c1(Oc2c(Cl)cc(Cl)cc2)c(O)cc(Cl)cc1	3380-34-5	5-chloro-2-(2,4-dichlorophenoxy)phenol	-3,25	log(mmol/L)	4,8	OASIS database from OECD toolbox, accessed Sept 2011
c1(Oc2c(Cl)cc(Cl)cc2)c(O)cc(Cl)cc1	3380-34-5	5-chloro-2-(2,4-dichlorophenoxy)phenol	-3,21	log(mmol/L)	4,8	OASIS database from OECD toolbox, accessed Sept 2011
c1(C(C)C)ccc(C)cc1	99-87-6	1-methyl-4-(1-methylethyl)benzene	-2,29	log(mmol/L)	4,1	OASIS database from OECD toolbox, accessed Sept 2011
c1(COCc2ccccc2)ccccc1	103-50-4	benzyl ether	-2,62	log(mmol/L)	3,31	OASIS database from OECD toolbox, accessed Sept 2011
C(C)CCCCCC	111-65-9	octane	-3,61	log(mmol/L)	5,18	OASIS database from OECD toolbox, accessed Sept 2011
c1(C)c(C)c2c(cccc2)cc1	573-98-8	1,2-dimethylnaphthalene	-3,15	log(mmol/L)	4,31	OASIS database from OECD toolbox, accessed Sept 2011
C(=O)(O)CCCCC(=O)O	124-04-9	hexanedioic acid	-0,466	log(mmol/L)	0,08	OASIS database from OECD toolbox, accessed Sept 2011
c1(Cl)c(Cl)c(Cl)c(Cl)c(O)c1OC	2539-17-5	3,4,5,6-tetrachloroguaiacol	-2,82	log(mmol/L)	4,59	OASIS database from OECD toolbox, accessed Sept 2011
c12c(cc(C)cc1)ccc(C)c2	581-42-0	2,6-dimethylnaphthalene	-2,56	log(mmol/L)	4,31	OASIS database from OECD toolbox, accessed Sept 2011
C(C)(=O)OC(C)COC	108-65-6	"1-methoxy-2-propanol, acetate;2-propylene glycol 1-methyl ether acetate;propylene glycol me ether acetate;2-propanol, 1-methoxy-, acetate;1-methoxy-2-propanol acetate;1-methoxypropan-2-yl acetate;2-methoxy-1-methylethyl acetate;propylene glycol monomethyl ether acetate;propylene glycol methyletheracetate"	-0,439332694	log(mmol/L)	0,56	ECOTOX database from OECD toolbox, accessed Sept 2011
C(CCC)OCCO	111-76-2	"ethylene glycol (mono) n-butyl ether;2-butoxyethanol;ethanol, 2-butoxy-;butyl cellosolve;ethylene glycol mono butyl ether;ethylene glycol mono-n-butyl ether;2-n-butoxyethanol;n-butoxyethanol;ethylene glycol monbutyl ether;butoxyethanol"	-0,673941999	log(mmol/L)	0,83	ECOTOX database from OECD toolbox, accessed Sept 2011
C(Cl)(Br)Br	124-48-1	"dibromo(chloro)methane;dibromochloromethane;chlorodibromomethane;methane, dibromochloro-"	-1,812913357	log(mmol/L)	2,16	ECOTOX database from OECD toolbox, accessed Sept 2011
C1(=C)C2C(C)(C)C(CC1)C2	127-91-3	"(1s)-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane;6,6-dimethyl-2-methylene bicyclo[3.1.1]heptane;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;terbenthene;bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-;2(10)-pinene;bicyclo 3.1.1 heptane, 6,6-dimethyl-2-methylene-;bicyclo_3.1.1_heptane, 6,6-dimethyl-2-methylene-;pin-2(10)-ene;beta-pinene;bicyclo?3.1.1?heptane, 6,6-dimethyl-2-methylene-"	-3,370110915	log(mmol/L)	4,16	ECOTOX database from OECD toolbox, accessed Sept 2011
C1(=C)C2C(C)(C)C(CC1)C2	127-91-3	"(1s)-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane;6,6-dimethyl-2-methylene bicyclo[3.1.1]heptane;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;terbenthene;bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-;2(10)-pinene;bicyclo 3.1.1 heptane, 6,6-dimethyl-2-methylene-;bicyclo_3.1.1_heptane, 6,6-dimethyl-2-methylene-;pin-2(10)-ene;beta-pinene;bicyclo?3.1.1?heptane, 6,6-dimethyl-2-methylene-"	-2,370110915	log(mmol/L)	4,16	ECOTOX database from OECD toolbox, accessed Sept 2011
c12c(ccccc1)ccc2	275-51-4	azulene	-2,10720997	log(mmol/L)	3,2	ECOTOX database from OECD toolbox, accessed Sept 2011
c1(C)c(C)c2c(cccc2)cc1	573-98-8	"1,2-dimethylnaphthalene;1,2-dimethylnaphtalene"	-3,151731913	log(mmol/L)	4,31	ECOTOX database from OECD toolbox, accessed Sept 2011
C(Br)(Br)Br	75-25-2	"tribromomethane;bromoform;methane, tribromo-"	-1,721879284	log(mmol/L)	2,4	ECOTOX database from OECD toolbox, accessed Sept 2011
C(Cl)(Cl)Br	75-27-4	"bromodichloromethane;bromo(dichloro)methane;methane, bromodichloro-;dichlorobromomethane"	-2,322749245	log(mmol/L)	2	ECOTOX database from OECD toolbox, accessed Sept 2011
c1(Cl)c2c(cccc2)ccc1	90-13-1	"1-chloronaphthalene;naphthalene, 1-chloro-;chloronaphthalene, 1-;chloronapthalene, 1-"	-2,621122997	log(mmol/L)	4	ECOTOX database from OECD toolbox, accessed Sept 2011