Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

632 compounds | Property M5.logHLn: Biotransformation half-lives in fish

ID	Name	M5.logHLn	Details
9	1-{[(2S,4S)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole i	0.700825461	View
10	1-[(2S)-2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole i	1.190825461	View
20	(3R)-1-(4-chlorophenyl)-4,4-dimethyl-3-[(1H-1,2,4-triazol-1-yl)methyl]pentan-3-ol i	0.770825461	View
21	1-[(2S)-2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1H-1,2,4-triazole i	1.230825461	View
26	(1S,5R)-5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-[(1H-1,2,4-triazol-1-yl)methyl]cyclopentan-1-ol i	0.230825461	View
66	(R)-(2-chlorophenyl)(4-chlorophenyl)(pyrimidin-5-yl)methanol i	0.570825461	View
154	(2S)-octan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxy]acetate i	-0.609174539	View
185	2,4-dibromo-1-(4-bromophenoxy)benzene i	1.253016587	View
190	2,4-dibromo-1-(2,4-dibromophenoxy)benzene i	1.596921024	View
191	1,2-dibromo-4-(2,4-dibromophenoxy)benzene i	1.429107846	View
194	1,2-dibromo-4-(3,4-dibromophenoxy)benzene i	2.253016587	View
196	1,2,3-tribromo-4-(2,4-dibromophenoxy)benzene i	1.336921024	View
197	1,2,4-tribromo-5-(2,4-dibromophenoxy)benzene i	1.951986591	View
198	1,3,5-tribromo-2-(2,4-dibromophenoxy)benzene i	1.951986591	View
201	1,2,4-tribromo-5-(2,4,5-tribromophenoxy)benzene i	2.010996649	View
202	1,3,5-tribromo-2-(2,4,5-tribromophenoxy)benzene i	2.031167837	View
204	1,2,3,5-tetrabromo-4-(2,4,5-tribromophenoxy)benzene i	1.650956596	View
212	1,2,3,4,5-pentabromo-6-(3,4-dibromophenoxy)benzene i	1.575891028	View
279	4-[(2R,4R)-4,6-dimethylheptan-2-yl]phenol i	-0.454174539	View
286	4-(2,4,4-trimethylpentan-2-yl)phenol i	-0.039174539	View
290	4-[2-(4-hydroxyphenyl)propan-2-yl]phenol i	0.270825461	View
300	4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol i	-0.509174539	View
314	1-chloro-2-[(1R)-2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene i	1.710825461	View
319	[1,1'-biphenyl]-4-ol i	-0.814174539	View
332	4-[(2S)-butan-2-yl]phenol i	-0.844174539	View
333	4-chloro-3-methylphenol i	-1.284174539	View
339	4-tert-butylphenol i	-0.874174539	View
342	4-chloro-2-methylphenol i	-0.829174539	View
362	1,2-dibutyl benzene-1,2-dicarboxylate i	-0.404174539	View
386	1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene i	1.927492161	View
387	pentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene i	0.047492161	View
388	pentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene i	0.210825461	View
390	tetrachloromethane i	-1.194174539	View
391	O,O-diethyl O-4-nitrophenyl phosphorothioate i	-0.409174539	View
392	tetraphene i	0.020825461	View
393	(1S,2R,3R,4R,6R,7R)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0²,⁶]dec-8-ene i	2.365825461	View
394	1,2,3,4,5,6-Hexachlorocyclohexane i	1.596825461	View
395	ethoxyethane i	-0.699174539	View
397	(1R,2S,3S,6R,7R,8S,9R,11S)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.1³,⁶.0²,⁷.0⁹,¹¹]tridec-4-ene i	1.720825461	View
398	aniline i	-0.779174539	View
401	N-methyl-1-(naphthalen-1-yloxy)methanimidic acid i	-1.179174539	View
409	trichloromethane i	-0.759174539	View
410	hexachloroethane i	0.760825461	View
417	1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene i	1.705825461	View
418	bromo(chloro)methane i	-0.744174539	View
422	dichloromethane i	-0.509174539	View
424	2-methylpropan-2-ol i	-1.129174539	View
428	(2S)-1,2-dichloropropane i	-1.064174539	View
430	1,1,2-trichloroethene i	-0.409174539	View
433	1,1,2,2-tetrachloroethane i	-0.669174539	View
435	phenanthrene i	0.695825461	View
436	1-benzyl 2-butyl benzene-1,2-dicarboxylate i	-1.029174539	View
437	N-nitroso-N-phenylaniline i	-0.914174539	View
438	9H-fluorene i	0.700825461	View
440	2,4,6-trichlorophenol i	-0.569174539	View
441	1-methyl-2-nitrobenzene i	-0.479174539	View
446	naphthalene i	0.410825461	View
447	quinoline i	-1.334174539	View
455	2-methylphenol i	-0.519174539	View
456	1,2-dichlorobenzene i	0.504158761	View
457	2-chloroaniline i	-0.609174539	View
459	1,2,4-trimethylbenzene i	-0.309174539	View
461	1,2,4,5-tetrachlorobenzene i	1.787492161	View
464	1,2,3-trichloropropane i	-0.529174539	View
468	nitrobenzene i	-0.934174539	View
469	1-methyl-4-nitrobenzene i	-1.009174539	View
475	phenoxybenzene i	-0.089174539	View
480	1,4-dichlorobenzene i	1.095825461	View
481	4-chloroaniline i	-0.614174539	View
495	(2S)-1-chloro-2-{[(2R)-1-chloropropan-2-yl]oxy}propane i	-1.074174539	View
496	1,3,5-trimethylbenzene i	0.395825461	View
497	1,3,5-trichlorobenzene i	1.186825461	View
498	bromobenzene i	-1.189174539	View
499	methylcyclohexane i	0.570825461	View
502	chlorobenzene i	-1.019174539	View
513	furan i	-0.844174539	View
514	thiophene i	-0.819174539	View
518	cyclohexane i	-0.659174539	View
524	1-chloro-2-(2-chloroethoxy)ethane i	-0.814174539	View
529	dodecane i	0.260825461	View
533	hexachlorobenzene i	2.435562261	View
536	diphenylmethanone i	-1.174174539	View
537	anthracene i	0.649575461	View
539	1,2,4-trichlorobenzene i	1.200825461	View
540	2,4-dichlorophenol i	-0.939174539	View
541	1-methyl-2,4-dinitrobenzene i	-0.224174539	View
542	N,N-dimethylaniline i	-0.964174539	View
543	1,4-diethyl (2R)-2-{[dimethoxy(sulfanylidene)-λ⁵-phosphanyl]sulfanyl}butanedioate i	0.290825461	View
544	N-[6-chloro-4-(ethylimino)-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene]ethan-1-amine i	-0.939174539	View
545	N-phenylaniline i	0.350825461	View
552	pyrene i	0.318825461	View
553	8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	1.345825461	View
554	naphthalen-1-amine i	-0.244174539	View
555	dimethylcarbamothioylsulfanyl dimethylaminomethanedithioate i	-1.184174539	View
559	perylene i	-0.059174539	View
560	fluoranthene i	-0.015841239	View
561	pentacyclo[10.7.1.0²,¹¹.0⁴,⁹.0¹⁶,²⁰]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene i	-0.064174539	View
562	chrysene i	0.590825461	View
565	O,O-dimethyl O-4-nitrophenyl phosphorothioate i	0.550825461	View
566	(1R,2R,3R,6S,7S,8S)-1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.1³,⁶.0²,⁷]dodeca-4,9-diene i	1.365825461	View
567	1,2,3,4,5,6-Hexachlorocyclohexane i	1.700825461	View
568	N'-(3,4-dichlorophenyl)-N,N-dimethylcarbamimidic acid i	-1.449174539	View
569	N'-(3,4-dichlorophenyl)-N-methoxy-N-methylcarbamimidic acid i	-0.969174539	View
570	O,O-diethyl O-6-methyl-2-(propan-2-yl)pyrimidin-4-yl phosphorothioate i	0.065825461	View
573	1,2,3-trimethylbenzene i	-0.224174539	View
575	1,3-dichlorobenzene i	-0.214174539	View
577	2,3-dimethylnaphthalene i	0.030825461	View
583	1,2,3,4,5-pentachlorobenzene i	1.874158761	View
588	1,2,3,4-tetrachlorobenzene i	0.690825461	View
594	2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline i	0.617968361	View
595	2-methoxy-2-methylpropane i	-0.879174539	View
596	2,3,7,8-tetrachlorooxanthrene i	1.779396861	View
597	N-[6-chloro-4-(ethylimino)-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene]propan-2-amine i	-1.049174539	View
599	decachloro-1,1'-biphenyl i	2.863682561	View
604	octachlorooxanthrene i	1.160825461	View
616	1,2,3,4-tetrachlorooxanthrene i	1.020825461	View
618	2,7-dichlorooxanthrene i	0.230825461	View
619	1,2,3,4,6,7,8-heptachlorooxanthrene i	1.210825461	View
621	octachloro-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	1.220825461	View
623	1,2,4-trichlorooxanthrene i	0.430825461	View
625	4,5,11,12-tetrachloro-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	0.560825461	View
631	O,O-dimethyl O-3-methyl-4-(methylsulfanyl)phenyl phosphorothioate i	-0.359174539	View
640	2-{[dimethoxy(sulfanylidene)-λ⁵-phosphanyl]sulfanyl}-N-methylethanimidic acid i	-1.009174539	View
646	1,1,1-trichloroethane i	-1.389174539	View
647	(1R,2S,3R,6S,7R,8S,9R,11S)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.1³,⁶.0²,⁷.0⁹,¹¹]tridec-4-ene i	1.570825461	View
648	1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene i	2.440825461	View
651	tribromomethane i	-0.704174539	View
653	1,1-dichloroethene i	-0.719174539	View
656	(1R,2R,5S,6R,7S)-1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.0²,⁶]deca-3,8-diene i	1.445825461	View
659	3,5,5-trimethylcyclohex-2-en-1-one i	-1.289174539	View
660	1,1,2-trichloroethane i	-1.014174539	View
663	1,2,3,4,5-pentachloro-6-nitrobenzene i	-0.166674539	View
669	1,2,3,4,5-pentabromo-6-ethylbenzene i	0.020825461	View
673	9H-carbazole i	0.060825461	View
676	1,2,3-trichlorobenzene i	0.920825461	View
677	pentachlorophenol i	-0.204174539	View
680	4-[4-(dimethylamino)benzoyl]-N,N-dimethylaniline i	-0.769174539	View
683	2-methylnaphthalene i	0.880825461	View
686	3,3'-dichloro-[1,1'-biphenyl]-4,4'-diamine i	-0.134174539	View
699	1-chloro-2-methylbenzene i	-0.719174539	View
700	2-chlorophenol i	-0.384174539	View
701	3,4-dichloroaniline i	-1.089174539	View
702	3,4-dichlorophenol i	-0.919174539	View
703	(2R)-1,2-dibromo-3-chloropropane i	-1.139174539	View
706	3-nitroaniline i	-0.769174539	View
710	1,2-dichloro-4-nitrobenzene i	-0.269174539	View
715	4-nitroaniline i	-0.509174539	View
717	N-methylaniline i	-0.879174539	View
721	4-{[4-(dimethylamino)phenyl]methyl}-N,N-dimethylaniline i	-0.039174539	View
736	4-chlorophenol i	-0.414174539	View
739	1,2-dibromoethane i	-0.829174539	View
741	3-chlorophenol i	-0.682507869	View
751	2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethan-1-ol i	1.985825461	View
753	1,2,4,5-tetrachloro-3-nitrobenzene i	0.490825461	View
754	1,2-bis[(2R)-2-ethylhexyl] benzene-1,2-dicarboxylate i	0.440825461	View
761	O,O-dimethyl O-3-methyl-4-nitrophenyl phosphorothioate i	0.034158761	View
767	tetrachloroethene i	-0.879174539	View
769	8-thiatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	0.830825461	View
792	acenaphthylene i	0.518325461	View
799	O,O-diethyl {[2-(ethylsulfanyl)ethyl]sulfanyl}phosphonothioate i	0.032254061	View
802	5-bromo-3-[(2S)-butan-2-yl]-2-hydroxy-6-methyl-3,4-dihydropyrimidin-4-one i	-1.329174539	View
804	1,2,3,4,5,6-hexachlorocyclohexane i	1.230825461	View
805	1,2,3,4,5,6-hexachlorocyclohexane i	1.440825461	View
814	ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate i	-0.084174539	View
821	2,4-dichloroaniline i	-0.654174539	View
822	3-nitrophenol i	-0.489174539	View
831	3,5-dichlorophenol i	-0.914174539	View
851	2,3,4-trichloroaniline i	-0.269174539	View
865	9-methylanthracene i	0.225825461	View
871	1,2,3,4-tetrachloro-5-nitrobenzene i	-0.689174539	View
878	O,O-dimethyl {[(5-methoxy-2-oxo-2,3-dihydro-1,3,4-thiadiazol-3-yl)methyl]sulfanyl}phosphonothioate i	-1.149174539	View
881	(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl dimethyl phosphate i	-1.019174539	View
883	(1S,2S,3R,5R,6S,7R,8R)-1,6,8,9,10,11,11-heptachloro-4-oxatetracyclo[6.2.1.0²,⁷.0³,⁵]undec-9-ene i	2.200825461	View
902	1,3,5-trichloro-2-(4-nitrophenoxy)benzene i	0.750825461	View
905	tetrachlorobenzene-1,3-dicarbonitrile i	0.270825461	View
925	ethoxy-(4-nitrophenoxy)-phenyl-sulfanylidenephosphorane i	0.015825461	View
931	(azepan-1-yl)(ethylsulfanyl)methanone i	-1.079174539	View
932	octachloronaphthalene i	1.620825461	View
937	Perchloropentacyclo(5.2.1.0(2,6).0(3,9).0(5,8))decane i	1.800825461	View
946	diethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxyphosphorane i	0.772825461	View
960	1-{2-[(2R)-butan-2-yl]phenoxy}-N-methylmethanimidic acid i	-0.519174539	View
976	2,4,4'-trichloro-1,1'-biphenyl i	1.880825461	View
1003	2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide i	-1.099174539	View
1010	5-tert-butyl-3-[2,4-dichloro-5-(propan-2-yloxy)phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-one i	0.770825461	View
1016	(4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidenephosphorane i	1.260825461	View
1027	propan-2-yl 2-{[(S)-ethoxy[(propan-2-yl)amino]sulfanylidene-λ⁵-phosphanyl]oxy}benzoate i	-0.513174539	View
1028	bis(propan-2-yl) (benzylsulfanyl)phosphonate i	-1.200841209	View
1036	N,N-diethyl{[(4-chlorophenyl)methyl]sulfanyl}formamide i	0.655825461	View
1043	2,3',4',5-tetrachloro-1,1'-biphenyl i	2.651518242	View
1049	2,2',4,4',5,5'-hexachloro-1,1'-biphenyl i	2.546539761	View
1057	2,2',5-trichloro-1,1'-biphenyl i	1.865825461	View
1059	2,2',4,5,5'-pentachloro-1,1'-biphenyl i	2.458825461	View
1060	2,2',3,4,5'-pentachloro-1,1'-biphenyl i	2.308325461	View
1061	2,2',3,3',4,4'-hexachloro-1,1'-biphenyl i	2.640825461	View
1070	(R)-cyano(3-phenoxyphenyl)methyl (2S)-2-(4-chlorophenyl)-3-methylbutanoate i	0.690825461	View
1075	2,2',3,4,5,5',6-heptachloro-1,1'-biphenyl i	2.477492161	View
1111	4-[(2R)-dodecan-2-yl]benzene-1-sulfonic acid i	0.340825461	View
1112	3,6,9,12,15,18,21,24-octaoxaheptatriacontan-1-ol i	-0.609174539	View
1113	4-[(5R)-dodecan-5-yl]benzene-1-sulfonic acid i	0.080825461	View
1114	1-{4-methyl-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pentan-2-yl}-4-(1,1,2,2-tetrafluoroethoxy)benzene i	2.610825461	View
1115	1-(1,1,2,2-tetrafluoroethoxy)-4-{2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]octan-2-yl}benzene i	1.660825461	View
1116	1-[(2S)-2-ethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]-4-(1,1,2,2-tetrafluoroethoxy)benzene i	2.440825461	View
1117	1-(1,1,2,2-tetrafluoroethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene i	0.360825461	View
1118	1-(1,1,2,2-tetrafluoroethoxy)-4-[(3R)-2,3,4-trimethylpentan-2-yl]benzene i	0.400825461	View
1119	1-heptyl-4-(1,1,2,2-tetrafluoroethoxy)benzene i	0.290825461	View
1120	O-4-chloro-2-cyanophenyl O,O-dimethyl phosphorothioate i	0.650825461	View
1121	1-chloro-2-[(1S)-2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene i	1.650825461	View
1122	N-(4-ethoxyphenyl)ethanimidic acid i	-0.549174539	View
1123	(chlorodiphenylmethyl)benzene i	-0.149174539	View
1124	tris(2-methylphenyl) phosphate i	0.500825461	View
1125	triethyl phosphate i	-1.094174539	View
1126	(2R)-2-ethylhexyl bis[(2S)-2-ethylhexyl] phosphate i	-0.294174539	View
1127	2,5-bis(tert-butylperoxy)-2,5-dimethylhexane i	0.770825461	View
1128	2-methylbuta-1,3-diene i	-0.609174539	View
1129	2-nitropropane i	-1.199174539	View
1130	(1S,4R)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane i	0.955825461	View
1131	{2-[(2-phenylpropan-2-yl)peroxy]propan-2-yl}benzene i	-0.009174539	View
1132	1,1,3,3,5-pentamethyl-2,3-dihydro-1H-indene i	0.690825461	View
1133	tetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one i	-0.689174539	View
1134	1-chloro-9,10-dihydroanthracene-9,10-dione i	-0.229174539	View
1135	1-amino-9,10-dihydroanthracene-9,10-dione i	-0.594174539	View
1136	(1R,6S,13R)-16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one i	-0.589174539	View
1137	2-phenyl-1,1'-biphenyl i	0.860825461	View
1138	hexachlorobuta-1,3-diene i	2.070825461	View
1139	hexabromobenzene i	0.430825461	View
1140	1,2,3,4,5-pentabromo-6-methylbenzene i	-0.129174539	View
1141	1,2,3,4,5-pentabromo-6-chlorocyclohexane i	-0.314174539	View
1142	2-methylbenzene-1-sulfonamide i	-0.894174539	View
1143	1-chloro-2-nitrobenzene i	-0.579174539	View
1144	2-nitroaniline i	-0.459174539	View
1145	(1R,2S)-cyclohex-4-ene-1,2-dicarboxylic acid i	-0.569174539	View
1146	1,4-dichloro-2-nitrobenzene i	0.560825461	View
1147	4-chloro-2-nitroaniline i	-0.959174539	View
1148	1,2,4-trichloro-5-nitrobenzene i	-0.639174539	View
1149	[1,1'-biphenyl]-2-amine i	-1.059174539	View
1150	benzene-1,2-dicarbonitrile i	-0.674174539	View
1151	1-methoxy-2-nitrobenzene i	-1.044174539	View
1152	N-[3,3'-dimethyl-4'-(3-oxobutanamido)-[1,1'-biphenyl]-4-yl]-3-oxobutanamide i	-1.499174539	View
1153	1,1'-bi(cyclohexane) i	0.380825461	View
1154	10H-phenothiazine i	0.035825461	View
1155	4,4'-dibromo-1,1'-biphenyl i	1.570825461	View
1156	6-nitro-1H-1,3-benzodiazole i	-1.149174539	View
1157	1,3-benzothiazole i	-0.859174539	View
1158	2-bromophenol i	-0.244174539	View
1159	3,4-dimethylaniline i	-0.989174539	View
1160	2,5-dimethylaniline i	-0.994174539	View
1161	2,5-dichloroaniline i	-1.129174539	View
1162	(E)-N-(butan-2-ylidene)hydroxylamine i	-1.329174539	View
1163	2,4-di-tert-butylphenol i	-0.369174539	View
1164	4-methoxy-2-nitroaniline i	-0.869174539	View
1165	(trifluoromethyl)benzene i	-0.479174539	View
1166	benzenesulfonamide i	-0.709174539	View
1167	1-chloro-3-(trifluoromethyl)benzene i	0.640825461	View
1168	1-tert-butyl-4-methylbenzene i	0.310825461	View
1169	(prop-1-en-2-yl)benzene i	-0.709174539	View
1170	(1R)-1-phenylethan-1-amine i	-0.899174539	View
1171	1-methyl-3-nitrobenzene i	-0.794174539	View
1172	1,3-bis(propan-2-yl)benzene i	0.555825461	View
1173	1-chloro-4-nitrobenzene i	-0.484174539	View
1174	1-methoxy-4-nitrobenzene i	-0.954174539	View
1175	1,4-bis(propan-2-yl)benzene i	0.600825461	View
1176	(4R)-4-ethenylcyclohex-1-ene i	-0.414174539	View
1177	4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline i	-0.154174539	View
1178	4-benzylphenol i	-0.864174539	View
1179	(2R)-1-(ethenyloxy)-2-ethylhexane i	0.950825461	View
1180	[(benzyloxy)methyl]benzene i	0.630825461	View
1181	N-ethylaniline i	-0.649174539	View
1182	4-nonylphenol i	-0.232507869	View
1183	decylbenzene i	0.630825461	View
1184	4-chlorobenzaldehyde i	0.010825461	View
1185	1,4-diethylbenzene i	-0.009174539	View
1186	1,4-diethenylbenzene i	0.495825461	View
1187	1,4-dibromobenzene i	0.310825461	View
1188	1-chloro-4-methylbenzene i	-0.834174539	View
1189	3-chloroprop-1-ene i	-0.929174539	View
1190	2,4,4-trimethylpent-1-ene i	0.120825461	View
1191	tetradecamethylcycloheptasiloxane i	1.480825461	View
1192	1,3-dibromobenzene i	1.160825461	View
1193	3-chloroaniline i	-0.709174539	View
1194	1,3-diethenylbenzene i	0.590825461	View
1195	2-chloropyridine i	-0.849174539	View
1196	1-chlorobutane i	-0.449174539	View
1197	nonane i	0.970825461	View
1198	dodec-1-ene i	0.830825461	View
1199	triphenyl phosphate i	-0.759174539	View
1200	tris(2-chloroethyl) phosphate i	-0.659174539	View
1201	2-amino-9,10-dihydroanthracene-9,10-dione i	-1.059174539	View
1202	N-ethylnaphthalen-1-amine i	0.430825461	View
1203	4-chloro-1-nitro-2-(trifluoromethyl)benzene i	-0.364174539	View
1204	O,O-diethyl O-6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl phosphorothioate i	-0.699174539	View
1205	2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol i	0.025825461	View
1206	(S)-(4-chlorophenyl)(phenyl)methanol i	-0.889174539	View
1207	1,2,3,4-tetrahydronaphthalene i	0.750825461	View
1208	2-methoxy-5-methylaniline i	-0.999174539	View
1209	2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole i	-0.909174539	View
1210	(3E)-2,2,4,6,6-pentamethylhept-3-ene i	0.700825461	View
1211	non-1-ene i	0.515825461	View
1212	tributyl phosphate i	-0.759174539	View
1213	(2R)-1,1,1,2-tetrachloro-3-[(2R)-2,3,3,3-tetrachloropropoxy]propane i	1.035825461	View
1214	2,6-di-tert-butyl-4-methylphenol i	0.320825461	View
1215	2-chloro-9,10-dihydroanthracene-9,10-dione i	-0.364174539	View
1216	N-phenylnaphthalen-2-amine i	-0.409174539	View
1217	1,3-diethylbenzene i	0.085825461	View
1218	1-butoxybutane i	-0.254174539	View
1219	(3R)-2,2,4-trimethylpentane-1,3-diol i	-1.339174539	View
1220	4-ethoxyaniline i	-1.239174539	View
1221	pentacyclo[12.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene i	0.580825461	View
1222	triphenylene i	-0.079174539	View
1223	2-azapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene i	-0.139174539	View
1224	11H-benzo[b]fluorene i	-0.389174539	View
1225	cyclododecane i	1.330825461	View
1226	dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)phosphorane i	0.950825461	View
1227	2,4-dichloro-1-(trifluoromethyl)benzene i	1.810825461	View
1228	1,2-dichloro-4-(trifluoromethyl)benzene i	1.520825461	View
1229	(1S,2S,7R,10S,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane i	1.670825461	View
1230	1,1,6-trimethyl-1,2,3,4-tetrahydronaphthalene i	0.830825461	View
1231	naphthalene-1,8-diamine i	-0.734174539	View
1232	1,2,3,4-tetramethylbenzene i	1.170825461	View
1233	1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene i	1.410825461	View
1234	1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene i	1.500825461	View
1235	O-3-chloro-4-nitrophenyl O,O-dimethyl phosphorothioate i	-0.469174539	View
1236	2,4,6-trimethylphenol i	-1.299174539	View
1237	1-methyl-3-(propan-2-yl)benzene i	0.070825461	View
1238	dodecamethylcyclohexasiloxane i	2.340825461	View
1239	decamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane i	2.737492161	View
1240	chlorocyclohexane i	0.410825461	View
1241	3-methyl-1-(3-methylbutoxy)butane i	-0.449174539	View
1242	1-methoxy-3-nitrobenzene i	-1.039174539	View
1243	octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane i	1.880825461	View
1244	1,3-dimethylnaphthalene i	0.514158761	View
1245	N-methyl-N-phenylacetamide i	-1.124174539	View
1246	3-bromophenol i	-0.949174539	View
1247	3-nitrobenzene-1,2-dicarboxylic acid i	-1.569174539	View
1248	1-phenylnaphthalene i	1.720825461	View
1249	methyl 2-benzoylbenzoate i	-1.299174539	View
1250	4-methyl-1,2-dinitrobenzene i	-1.399174539	View
1251	2,4-dichloro-1-nitrobenzene i	0.830825461	View
1252	N,2-dimethylaniline i	-0.739174539	View
1253	1-ethyl-2-nitrobenzene i	-0.564174539	View
1254	2-methylanthracene i	-0.019174539	View
1255	3-methylthiophene i	-1.274174539	View
1256	1,3-dichloro-5-nitrobenzene i	0.570825461	View
1257	benzene-1,4-dicarbonitrile i	-0.814174539	View
1258	benzene-1,3-dicarbonitrile i	-0.619174539	View
1259	1,3,5-tribromobenzene i	1.650825461	View
1260	tridecane i	1.030825461	View
1261	tetradecane i	1.490825461	View
1262	hexadec-1-ene i	1.665825461	View
1263	3,4,5-trichloroaniline i	0.280825461	View
1264	2,4,6-trichloroaniline i	0.670825461	View
1265	1,2,4,5-tetrabromobenzene i	1.345825461	View
1266	2,4,5-trichloroaniline i	-0.009174539	View
1267	N,3-dimethylaniline i	-0.789174539	View
1268	2,4,6-tri-tert-butylphenol i	1.810825461	View
1269	(3S)-3,4-dichlorobut-1-ene i	-1.279174539	View
1270	2,5-dimethylhexa-2,4-diene i	0.490825461	View
1271	triphenylsilanol i	0.065825461	View
1272	undec-1-ene i	0.090825461	View
1273	1-methylphenanthrene i	0.630825461	View
1274	dec-1-ene i	0.650825461	View
1275	1,2,4,5-tetrachloro-3,6-dimethylbenzene i	1.120825461	View
1276	1,2,3,4,5-pentachloro-6-methylbenzene i	1.400825461	View
1277	9-methylphenanthrene i	0.117492161	View
1278	1,1,1,3,3,3-hexafluoropropan-2-ol i	-1.319174539	View
1279	(3R)-3,5,5-trimethylcyclohex-1-ene i	0.720825461	View
1280	2,3,5,6-tetrachlorophenol i	-0.099174539	View
1281	9-chlorophenanthrene i	1.795825461	View
1282	1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromophenoxy)benzene i	1.161921024	View
1283	(2S)-2-ethylhexyl diphenyl phosphate i	-0.149174539	View
1284	tris(4-methylphenyl) phosphate i	0.550825461	View
1285	1,3,5-tri-tert-butylbenzene i	2.700825461	View
1286	(1R,2S,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol i	-1.189174539	View
1287	1-(1,1,2,2-tetrafluoroethoxy)-4-{2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-yl}benzene i	2.790825461	View
1288	1,4-diethyl (2R)-2-[(dimethoxyphosphoryl)sulfanyl]butanedioate i	-1.039174539	View
1289	(2-methylpropyl)cyclohexane i	0.910825461	View
1290	1-chloro-4-(prop-1-en-2-yl)benzene i	1.295825461	View
1291	1,2,3,6,7,8-hexahydropyrene i	0.420825461	View
1292	octylcyclohexane i	1.100825461	View
1293	1,2,3,4,5-pentachloro-6-methoxybenzene i	2.670825461	View
1294	1,4-dichloronaphthalene i	2.370825461	View
1295	1,3,5-trimethylcyclohexane i	1.710825461	View
1296	(2,3-dimethyl-3-phenylbutan-2-yl)benzene i	0.870825461	View
1297	2-(propan-2-yl)naphthalene i	0.997492161	View
1298	4-methyl-3-nitrophenol i	-0.799174539	View
1299	(6R)-2,6-dimethyloctane i	0.610825461	View
1300	O-4-bromo-2,5-dichlorophenyl O,O-dimethyl phosphorothioate i	0.970825461	View
1301	2-(2-methylpropoxy)naphthalene i	0.230825461	View
1302	octylbenzene i	0.220825461	View
1303	1-methoxynaphthalene i	0.390825461	View
1304	(2S,4aS,4bS,8aR,10aS)-2-(propan-2-yl)-tetradecahydrophenanthrene i	1.520825461	View
1305	naphthalene-1,5-diamine i	-0.524174539	View
1306	dimethyl 3-methyl-4-nitrophenyl phosphate i	0.010825461	View
1307	1-methylpyrene i	0.110825461	View
1308	tridec-1-ene i	0.730825461	View
1309	4,5-dichloro-2-methoxyphenol i	-0.149174539	View
1310	O-2-chloro-4-nitrophenyl O,O-dimethyl phosphorothioate i	0.010825461	View
1311	O,O-diethyl {[2-(ethanesulfonyl)ethyl]sulfanyl}phosphonothioate i	-0.669174539	View
1312	7,12-dihydrotetraphene-7,12-dione i	-0.839174539	View
1313	7-methyltetraphene i	-0.054174539	View
1314	ethyl (2S)-2-{[dimethoxy(sulfanylidene)-λ⁵-phosphanyl]sulfanyl}-2-phenylacetate i	-0.749174539	View
1315	N-methyl-1-[2-(propan-2-yl)phenoxy]methanimidic acid i	-1.254174539	View
1316	O-4-cyanophenyl O,O-dimethyl phosphorothioate i	0.230825461	View
1317	3,5-di-tert-butyl-[1,1'-biphenyl]-4-ol i	1.160825461	View
1318	2-methylnon-1-ene i	-0.059174539	View
1319	(3R)-2,3-dimethylheptane i	1.275825461	View
1320	(1R,2R,5R,6S,9R,10S)-1,2,5,6,9,10-hexabromocyclododecane i	2.110825461	View
1321	(1R,2S,5S,6S,9S,10R)-1,2,5,6,9,10-hexabromocyclododecane i	2.070825461	View
1322	1,2-dichloro-3-nitrobenzene i	0.540825461	View
1323	1,3-dibromo-2,2-bis(bromomethyl)propane i	0.755825461	View
1324	2,2-bis(bromomethyl)propane-1,3-diol i	-1.399174539	View
1325	(2-cyclohexylethyl)cyclohexane i	0.130825461	View
1326	9-ethylphenanthrene i	0.290825461	View
1327	O-4-[(R)-methanesulfinyl]-3-methylphenyl O,O-dimethyl phosphorothioate i	-0.379174539	View
1328	O-4-methanesulfonyl-3-methylphenyl O,O-dimethyl phosphorothioate i	-0.029174539	View
1329	(2S)-2-methoxy-2,4-dihydro-1,3,2λ⁵-benzodioxaphosphinine-2-thione i	-1.149174539	View
1330	2-(2H-1,2,3-benzotriazol-2-yl)-4,6-di-tert-butylphenol i	0.890825461	View
1331	2,4-di-tert-butyl-6-(5-chloro-2H-1,2,3-benzotriazol-2-yl)phenol i	0.720825461	View
1332	(6S,10R)-2,6,10-trimethyldodecane i	1.358325461	View
1333	1,10-dibromodecane i	-0.469174539	View
1334	2,6-di-tert-butyl-4-ethylphenol i	0.855825461	View
1335	(1R,4R)-1,4-dimethyl-1,2,3,4-tetrahydronaphthalene i	0.720825461	View
1336	hexylcyclohexane i	0.700825461	View
1337	(3S)-3,5,5-trimethylhex-1-ene i	1.070825461	View
1338	(6S)-2,2,4,4,6,8,8-heptamethylnonane i	1.810825461	View
1339	2,6-dicyclohexylphenol i	0.195825461	View
1340	N-cyclohexyl-N-nitrosohydroxylamine i	-0.899174539	View
1341	(1E,5E,9E)-cyclododeca-1,5,9-triene i	1.740825461	View
1342	3,3',4,4'-tetramethyl-1,1'-biphenyl i	-0.009174539	View
1343	(1R,2S,3R,4R,6S,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0²,⁶]dec-8-ene i	1.865825461	View
1344	(1R,2S,3R,4R,6S,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0²,⁶]dec-8-ene i	2.050825461	View
1345	3-nitro-N-phenyl-4-(phenylamino)benzene-1-sulfonamide i	-0.659174539	View
1346	(1S,4aR,10aS)-1,4a-dimethyl-6-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene i	0.590825461	View
1347	1,2,3,4,5,6,7,8-octahydrophenanthrene i	0.760825461	View
1348	2-methyl-5-nitrophenol i	-1.239174539	View
1349	2,6-bis[(2R)-butan-2-yl]phenol i	-0.219174539	View
1350	(1R,2R,3S,4S,6S,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0²,⁶]dec-8-ene i	2.230825461	View
1351	heptylcyclohexane i	0.170825461	View
1352	4-ethyl-1,1'-biphenyl i	0.064158761	View
1353	(4S)-4-methyldodecane i	0.980825461	View
1354	1,4-dimethyl-2-[(1S)-1-phenylethyl]benzene i	0.100825461	View
1355	1,2,4-trichloro-5-methylbenzene i	2.010825461	View
1356	(2E,4S,6R)-4,6,8-trimethylnon-2-ene i	0.510825461	View
1357	2-methyldecane i	0.100825461	View
1358	2-methylundecane i	0.840825461	View
1359	4-pentyl-1,1'-biphenyl i	0.030825461	View
1360	9-butylphenanthrene i	0.290825461	View
1361	(1S,2S,3R,4R,6S,7R)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0²,⁶]dec-8-ene i	2.740825461	View
1362	1,2,2,3-tetrachloropropane i	-0.279174539	View
1363	(6S)-2,6-dimethyldecane i	0.315825461	View
1364	(3S)-3-methyldecane i	0.560825461	View
1365	(1R,2R,6R,7R)-4-[(2R)-2-ethylhexyl]-1-methyl-7-(propan-2-yl)-4-azatricyclo[5.2.2.0²,⁶]undec-8-ene-3,5-dione i	0.305825461	View
1366	2,2,4,6,6-pentamethylheptane i	0.723325461	View
1367	2-benzyl-1,4-dimethylbenzene i	0.445825461	View
1368	(2R)-1-chloropropan-2-yl bis[(2S)-1-chloropropan-2-yl] phosphate i	-1.309174539	View
1369	tris(1,3-dichloropropan-2-yl) phosphate i	-0.519174539	View
1370	2-pentyl-9,10-dihydroanthracene-9,10-dione i	0.200825461	View
1371	N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide i	0.840825461	View
1372	(1S,3Z,4R)-1,7,7-trimethyl-3-(phenylmethylidene)bicyclo[2.2.1]heptan-2-one i	-0.209174539	View
1373	2,3,6,7-tetramethylanthracene i	0.590825461	View
1374	(2,6-dichlorophenyl)methanol i	-1.374174539	View
1375	hexadecane i	1.470825461	View
1376	2,4,5-trichloro-1,1'-biphenyl i	1.840825461	View
1377	(1S,4S,5E)-5-ethylidenebicyclo[2.2.1]hept-2-ene i	-0.564174539	View
1378	2-methyldodec-1-ene i	0.640825461	View
1379	2,3-dichloro-1,1'-biphenyl i	2.150825461	View
1380	2,4',5-trichloro-1,1'-biphenyl i	1.910825461	View
1381	1,6-ditridecyl hexanedioate i	-0.429174539	View
1382	1-ethylpyrene i	0.240825461	View
1383	ethyl bis(phenylsulfanyl)phosphinate i	-1.035174539	View
1384	(6R)-2,6-dimethylundecane i	1.020825461	View
1385	3-ethylnonane i	0.750825461	View
1386	(3R)-2,3-dimethyldecane i	0.645825461	View
1387	1,2,3-trichloro-4-nitrobenzene i	-0.189174539	View
1388	2-methyltridec-1-ene i	0.730825461	View
1389	(2,5-dichloro-4-iodophenoxy)-dimethoxy-sulfanylidenephosphorane i	0.860825461	View
1390	2-methylundec-1-ene i	0.170825461	View
1391	1,3,5-trichloro-2-nitrobenzene i	0.710825461	View
1392	O,O-diethyl O-5-phenyl-1,2-oxazol-3-yl phosphorothioate i	1.050825461	View
1393	1,2,3,7,8,9-hexachlorooxanthrene i	1.300825461	View
1394	(5S)-5-ethylnon-1-ene i	0.930825461	View
1395	1,2,3,4-tetrachloronaphthalene i	1.200825461	View
1396	2-(thiocyanatomethylsulfanyl)-1,3-benzothiazole i	-1.009174539	View
1397	1,4-di(propan-2-yl)cyclohexane i	0.970825461	View
1398	2,2,5,7-tetramethyl-1,2,3,4-tetrahydronaphthalene i	0.320825461	View
1399	1,2-bis(propan-2-yl)benzene i	0.570825461	View
1400	2-methylphenyl diphenyl phosphate i	-0.269174539	View
1401	1,2-dibenzyl-3-methylbenzene i	1.550825461	View
1402	(2R)-2-ethylhexyl 4-amino-3,5,6-trichloropyridine-2-carboxylate i	0.450825461	View
1403	2,4-dichloro-1-(2,4-dichlorophenoxy)benzene i	2.280825461	View
1404	1-ethenyl-3-ethylbenzene i	0.160825461	View
1405	3,3'-diethyl-1,1'-biphenyl i	1.240825461	View
1406	1,2,3,4,5-pentachloro-6-(1,2,2-trichloroethenyl)benzene i	2.040825461	View
1407	1-(propan-2-yl)naphthalene i	0.130825461	View
1408	2,3-dichlorooxanthrene i	0.330825461	View
1409	8-methylnonyl diphenyl phosphate i	-0.139174539	View
1410	(2S)-2-[(2,3-dibromo-6-methylphenoxy)methyl]oxirane i	-1.209174539	View
1411	2,3',4,4',5-pentachloro-1,1'-biphenyl i	2.189158761	View
1412	1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenoxy)benzene i	1.800825461	View
1413	2,3',4,4'-tetrachloro-1,1'-biphenyl i	2.074158761	View
1414	3,3',4,4'-tetrachloro-1,1'-biphenyl i	1.352948384	View
1415	2,3,3',4,4'-pentachloro-1,1'-biphenyl i	2.059158761	View
1416	[(2-chloroethoxy)(phenyl)methyl]benzene i	-0.069174539	View
1417	2,4,4',5-tetrachloro-1,1'-biphenyl i	2.554158761	View
1418	(1S,3S)-3-phenyl-1,1'-bi(cyclohexane) i	0.450825461	View
1419	O,O-dimethyl O-phenyl phosphorothioate i	0.750825461	View
1420	2,5-dichloro-1,1'-biphenyl i	2.375825461	View
1421	3,5-dichloro-1,1'-biphenyl i	1.105825461	View
1422	2,2',3,4,4',5'-hexachloro-1,1'-biphenyl i	2.588825461	View
1423	2,2',3,4,4',5-hexachloro-1,1'-biphenyl i	2.344158761	View
1424	2,2',3,3',4,4',5,5'-octachloro-1,1'-biphenyl i	3	View
1425	1,2,3-tris(propan-2-yl)naphthalene i	1.745825461	View
1426	1,3,5-tribromo-2-[(2S)-2,3-dibromo-2-methylpropoxy]benzene i	2.210825461	View
1427	[(2R)-butan-2-yl][(S)-ethoxy(5-methyl-2-nitrophenoxy)sulfanylidene-λ⁵-phosphanyl]amine i	-0.199174539	View
1428	2,2',3,4'-tetrachloro-1,1'-biphenyl i	2.620825461	View
1429	2,2',4,4',5-pentachloro-1,1'-biphenyl i	2.73417137	View
1430	2,3,3',4',6-pentachloro-1,1'-biphenyl i	2.634158761	View
1431	2,2',3,3',4,6'-hexachloro-1,1'-biphenyl i	2.239618512	View
1432	2,3,3',4,4',5-hexachloro-1,1'-biphenyl i	2.728825461	View
1433	2,2',3,3',6,6'-hexachloro-1,1'-biphenyl i	2.335825461	View
1434	2,2',3,3',4,5,6'-heptachloro-1,1'-biphenyl i	2.465111161	View
1435	2,2',6-trichloro-1,1'-biphenyl i	2.497492161	View
1436	2,4',6-trichloro-1,1'-biphenyl i	2.437492161	View
1437	2,3,4'-trichloro-1,1'-biphenyl i	2.160825461	View
1438	2,2',3,3'-tetrachloro-1,1'-biphenyl i	1.998825461	View
1439	1,2-bis(propan-2-yl)naphthalene i	0.730825461	View
1440	1,2,3,4,7,8-hexachlorooxanthrene i	1.270825461	View
1441	2,3,3',4,4',5,5'-heptachloro-1,1'-biphenyl i	2.320825461	View
1442	2,2',3,3',4,5',6,6'-octachloro-1,1'-biphenyl i	2.464158761	View
1443	2,2',3,3',4,4',5,5',6-nonachloro-1,1'-biphenyl i	2.675825461	View
1444	1,2,3,7,8-pentachlorooxanthrene i	1.560825461	View
1445	2,7-bis(propan-2-yl)naphthalene i	0.325825461	View
1446	4'-hexyl-[1,1'-biphenyl]-4-carbonitrile i	0.850825461	View
1447	2,2',3,5'-tetrachloro-1,1'-biphenyl i	2.328825461	View
1448	2,3,3',4'-tetrachloro-1,1'-biphenyl i	2.465825461	View
1449	2,2',3,6'-tetrachloro-1,1'-biphenyl i	2.180825461	View
1450	2,2',3,4',5'-pentachloro-1,1'-biphenyl i	2.547492161	View
1451	2,2',3,3'-tetrachloro-[1,1'-biphenyl]-4,4'-diamine i	1.275825461	View
1452	(3R,5S)-1,1,3,5-tetramethylcyclohexane i	2.180825461	View
1453	5-methylidenetridecane i	0.880825461	View
1454	2,2',3,4',5,5'-hexachloro-1,1'-biphenyl i	2.397492161	View
1455	2,3,4',6-tetrachloro-1,1'-biphenyl i	2.350825461	View
1456	2,2',3,4',5,5',6-heptachloro-1,1'-biphenyl i	2.450825461	View
1457	2,2',3,4,4',5',6-heptachloro-1,1'-biphenyl i	2.590825461	View
1458	2,2',3,3',4,5',6'-heptachloro-1,1'-biphenyl i	2.500825461	View
1459	2,2',3,3',4,4',6-heptachloro-1,1'-biphenyl i	2.517492161	View
1460	2,3',4,4',5,5'-hexachloro-1,1'-biphenyl i	2.434158761	View
1461	2,2',3,3',4,5,5'-heptachloro-1,1'-biphenyl i	2.510825461	View
1462	2,2',3,3',4,5,5',6'-octachloro-1,1'-biphenyl i	2.474158761	View
1463	2,2',3,3',4,5,5',6,6'-nonachloro-1,1'-biphenyl i	2.630825461	View
1464	2,2',3,3',4,4',5,6-octachloro-1,1'-biphenyl i	2.536825461	View
1465	2,2',3,3',4,4',5,6,6'-nonachloro-1,1'-biphenyl i	2.657492161	View
1466	2,2',3,3',6,6'-hexachloro-1,1'-biphenyl i	2.324158761	View
1467	(1R,3R)-1-hexyl-3-methylcyclohexane i	0.970825461	View
1468	(S)-cyano(3-phenoxyphenyl)methyl (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate i	0.510825461	View
1469	1,2,3-trichloro-4-methoxybenzene i	1.395825461	View
1470	(2,6-dichloro-4-methylphenoxy)-dimethoxy-sulfanylidenephosphorane i	-0.109174539	View
1471	3,4,5-trichloro-2-methoxyphenol i	0.110825461	View
1472	4,5,6,11,12-pentachloro-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	1.360825461	View
1473	4,5,6,10,11-pentachloro-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	0.900825461	View
1474	3,4,5,10,11,12-hexachloro-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	1.000825461	View
1475	3,3',4,4',5-pentachloro-1,1'-biphenyl i	2.400825461	View
1476	1,2,3,6,7,8-hexachlorooxanthrene i	1.210825461	View
1477	2,4-dichloro-1-(4-chlorophenoxy)benzene i	1.720825461	View
1478	2,4,6-tribromo-1,1'-biphenyl i	1.250825461	View
1479	2,2',5,6'-tetrabromo-1,1'-biphenyl i	2.760825461	View
1480	2,2',4,4',6,6'-hexabromo-1,1'-biphenyl i	2.660825461	View
1481	(1R)-1-(2-chlorophenyl)ethane-1,2-diol i	-1.129174539	View
1482	1,2,4-trichloro-5-(2,4-dichlorophenoxy)benzene i	2.020825461	View
1483	2,2',3,3',5-pentachloro-1,1'-biphenyl i	2.444158761	View
1484	2,2',3,4,4',5,6'-heptachloro-1,1'-biphenyl i	2.507492161	View
1485	trihexylsilanol i	0.040825461	View
1486	4,5,6,10,11,12-hexachloro-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	1.120825461	View
1487	1,2,4-trichloro-5-(4-chlorophenoxy)benzene i	1.930825461	View
1488	(3-phenoxyphenyl)methyl (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate i	0.370825461	View
1489	(3R)-2,2,3-trimethyldecane i	0.975825461	View
1490	1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene i	1.140825461	View
1491	N-[3-(propan-2-yloxy)phenyl]-2-(trifluoromethyl)benzene-1-carboximidic acid i	-0.609174539	View
1492	(R)-cyano(3-phenoxyphenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate i	0.700825461	View
1493	3,4,5,6,10,11,12-heptachloro-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	0.900825461	View
1494	2,2',4,6'-tetrachloro-1,1'-biphenyl i	2.470825461	View
1495	2,2',3,4',6-pentachloro-1,1'-biphenyl i	2.613325461	View
1496	2,2',3,4,5',6-hexachloro-1,1'-biphenyl i	2.234158761	View
1497	1,2-didodecyl benzene-1,2-dicarboxylate i	-0.609174539	View
1498	1,2-bis(7-methyloctyl) benzene-1,2-dicarboxylate i	-0.459174539	View
1499	1,2-bis(8-methylnonyl) benzene-1,2-dicarboxylate i	-0.469174539	View
1500	8-methylnonan-1-ol i	0.585825461	View
1501	11-methyldodecan-1-ol i	0.080825461	View
1502	methyl (2S)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate i	-1.079174539	View
1503	2,2',3,6-tetrachloro-1,1'-biphenyl i	2.384158761	View
1504	2,2',3,5-tetrachloro-1,1'-biphenyl i	2.795220213	View
1505	3,4,4',5-tetrachloro-1,1'-biphenyl i	1.690825461	View
1506	1,2,3,4-tetrachloro-5-(2,4-dichlorophenoxy)benzene i	1.750825461	View
1507	1,2,4-trichloro-5-(2,4,5-trichlorophenoxy)benzene i	1.980825461	View
1508	1,2-bis(5-methylhexyl) benzene-1,2-dicarboxylate i	0.130825461	View
1509	2,3,3',6-tetrachloro-1,1'-biphenyl i	2.470825461	View
1510	2,3,4',5-tetrachloro-1,1'-biphenyl i	2.427492161	View
1511	2,3,4,4',5-pentachloro-1,1'-biphenyl i	2.364158761	View
1512	2,3,4,4',6-pentachloro-1,1'-biphenyl i	1.84010757	View
1513	2,3,3',4,4',6-hexachloro-1,1'-biphenyl i	2.574158761	View
1514	2,3,3',4',5,6-hexachloro-1,1'-biphenyl i	2.610825461	View
1515	2,3,3',4,4',5,5',6-octachloro-1,1'-biphenyl i	2.650825461	View
1516	5,10-dichloro-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	0.580825461	View
1517	3,4,5,6,10,11-hexachloro-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	0.430825461	View
1518	1,2,3,4-tetrachloro-5-(2,4,5-trichlorophenoxy)benzene i	1.970825461	View
1519	4-(7-methyloctyl)phenol i	0.030825461	View
1520	1,2-bis(9-methyldecyl) benzene-1,2-dicarboxylate i	-0.599174539	View
1521	1,6-bis(7-methyloctyl) hexanedioate i	-0.609174539	View
1522	1,3,5-trichloro-2-(2,4-dichlorophenoxy)benzene i	1.690825461	View
1523	1,3,5-trichloro-2-(2,4,5-trichlorophenoxy)benzene i	2.010825461	View
1524	1,2,3,5-tetrachloro-4-(2,4-dichlorophenoxy)benzene i	2.760825461	View
1525	5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-trifluoromethanesulfonyl-1H-pyrazole-3-carbonitrile i	1.050825461	View
1526	5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(R)-trifluoromethanesulfinyl]-1H-pyrazole-3-carbonitrile i	-0.214174539	View
1527	(3E)-2,4,6-trimethylhept-3-ene i	0.920825461	View
1528	3,5-dichloro-N-[(3R)-1-chloro-3-methyl-2-oxopentan-3-yl]-4-methylbenzene-1-carboximidic acid i	0.160825461	View
1529	2-(2-{2-[(9-methyldecyl)oxy]ethoxy}ethoxy)ethan-1-ol i	0.450825461	View
1530	1,2,3-tribromo-4-(2,4,5-tribromophenoxy)benzene i	1.554046583	View
1531	6,7-dimethyl-1-(4-methylpentyl)naphthalene i	0.055825461	View
1532	butyl (2R)-2-[4-(4-amino-2-fluorophenoxy)phenoxy]propanoate i	-0.779174539	View
1533	methyl (2R)-2-(4-{[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate i	-1.319174539	View
1534	(2R,3aS,5aS,5bS,9R,13R,14R,16aR,16bS)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-{[(2R,3S,4S,5S,6R)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy}-9-ethyl-4,14-dimethyl-1H,2H,3H,3aH,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-indaceno[3,2-d]oxacyclododecane-7,15-dione i	0.490825461	View
1535	(2R,3aS,5aS,5bS,9R,13R,14R,16aR,16bR)-13-{[(2S,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-{[(2S,3S,4S,5S,6R)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-indaceno[3,2-d]oxacyclododecane-7,15-dione i	0.340825461	View
1536	(2R,3aR,5aS,5bS,9S,13R,14R,16aR,16bS)-13-{[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-4,14-dimethyl-9-propyl-2-{[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1H,2H,3H,3aH,5aH,5bH,6H,7H,8H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-cyclododeca[b]as-indacene-7,15-dione i	0.450825461	View
1537	(2S,3aR,5aR,5bS,9S,13S,14R,16aR,16bR)-13-{[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-14-methyl-9-propyl-2-{[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1H,2H,3H,3aH,5aH,5bH,6H,7H,8H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-cyclododeca[b]as-indacene-7,15-dione i	0.410825461	View
1538	6-butyl-2,3-dimethylnaphthalene i	0.240825461	View
1539	(2S,4aR,8aR)-2-(propan-2-yl)-decahydronaphthalene i	0.907492161	View
1540	(4,4-dimethylpentyl)benzene i	0.010825461	View
1541	(1S,2R,4S)-1,4-dimethyl-2-(2-methylpropyl)cyclohexane i	0.800825461	View
1542	6-hexyl-1,2,3,4-tetrahydronaphthalene i	0.630825461	View
1543	1-octylpyrene i	1.260825461	View
1544	2-methylnaphthalene i	1.020825461	View
1545	1,3-dimethylnaphthalene i	0.680825461	View
1546	2,3,6-trimethylnaphthalene i	0.570825461	View

Bibliography

Arnot, J. A.; Mackay, D.; Parkerton, T. F.; Bonnell, M. A database of fish biotransformation rates for organic chemicals. Environmental Toxicology and Chemistry 2008, 27, 2263–2270. http://dx.doi.org/10.1897/08-058.1

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Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

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