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.

643 compounds | Property M2.logKoc: Soil sorption coefficient as log(Koc) i

ID	Name	M2.logKoc	Details
1	2,3-dihydro-1H-1,2,4-triazol-3-imine i	1.64	View
4	9-methyl-7-thia-2,4,5-triazatricyclo[6.4.0.0²,⁶]dodeca-1(12),3,5,8,10-pentaene i	3.09	View
5	(1R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one i	2.61	View
9	1-{[(2S,4S)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole i	3.39	View
51	N-{4-methoxy-6-[(propan-2-yl)imino]-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene}propan-2-amine i	2.57	View
54	4-amino-3,5,6-trichloropyridine-2-carboxylic acid i	1.27	View
56	N-tert-butyl-4-chloro-6-(ethylimino)-1,6-dihydro-1,3,5-triazin-2-amine i	2.32	View
57	3,5,6-trichloropyridin-2-ol i	2.11	View
59	(R)-cyclopropyl(4-methoxyphenyl)(pyrimidin-5-yl)methanol i	2.08	View
60	2-{[4-chloro-6-(ethylimino)-1,6-dihydro-1,3,5-triazin-2-yl]amino}-2-methylpropanenitrile i	2.28	View
66	(R)-(2-chlorophenyl)(4-chlorophenyl)(pyrimidin-5-yl)methanol i	2.95	View
67	N'-(2-chlorobenzenesulfonyl)-N-(6-methoxy-4-methyl-1,2-dihydro-1,3,5-triazin-2-ylidene)carbamimidic acid i	1.61	View
70	methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate i	1.74	View
72	methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate i	1.65	View
98	O,O-dimethyl {[(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl]sulfanyl}phosphonothioate i	2.64	View
99	1H-1,2,3-benzotriazole i	1.69	View
123	O-5-chloro-1-(propan-2-yl)-1H-1,2,4-triazol-3-yl O,O-diethyl phosphorothioate i	2.01	View
129	(1S)-1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-ol i	1.88	View
149	3-[(2R)-1-methylpyrrolidin-2-yl]pyridine i	2.01	View
151	O-2-(diethylamino)-6-methylpyrimidin-4-yl O,O-dimethyl phosphorothioate i	3	View
153	2-[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid i	1.55	View
170	2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl N,N-dimethylcarbamate i	2.13	View
219	4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol i	4.14	View
288	decachloropentacyclo[5.3.0.0²,⁶.0³,⁹.0⁴,⁸]decan-5-one i	4.2	View
328	ethyl 4-hydroxybenzoate i	2.21	View
340	2,4'-dichloro-1,1'-biphenyl i	4.14	View
347	4-methylphenol i	2.2	View
348	1,2-diethyl benzene-1,2-dicarboxylate i	1.84	View
355	1,2-dimethyl benzene-1,2-dicarboxylate i	2	View
362	1,2-dibutyl benzene-1,2-dicarboxylate i	3.14	View
370	ethyl hexanoate i	2.06	View
386	1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene i	5.33	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	5.83	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	6.25	View
389	benzenecarboximidic acid i	1.46	View
390	tetrachloromethane i	1.85	View
391	O,O-diethyl O-4-nitrophenyl phosphorothioate i	3.2	View
392	tetraphene i	5.4	View
394	1,2,3,4,5,6-Hexachlorocyclohexane i	3	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	4.44	View
398	aniline i	1.41	View
399	ethanimidothioic acid i	0.78	View
401	N-methyl-1-(naphthalen-1-yloxy)methanimidic acid i	2.37	View
402	ethanol i	0.2	View
404	acetic acid i	0	View
405	benzoic acid i	1.5	View
406	methanol i	0.44	View
409	trichloromethane i	1.65	View
410	hexachloroethane i	3.34	View
412	propan-1-ol i	0.48	View
413	butan-1-ol i	0.5	View
414	pentan-1-ol i	0.7	View
415	benzene i	1.94	View
416	1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene i	4.9	View
417	1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene i	4.76	View
422	dichloromethane i	1.44	View
423	bromodichloromethane i	1.79	View
425	2,2-dichloropropanoic acid i	0.44	View
428	(2S)-1,2-dichloropropane i	1.69	View
430	1,1,2-trichloroethene i	2.02	View
433	1,1,2,2-tetrachloroethane i	1.9	View
435	phenanthrene i	4.32	View
436	1-benzyl 2-butyl benzene-1,2-dicarboxylate i	3.72	View
437	N-nitroso-N-phenylaniline i	3.08	View
438	9H-fluorene i	3.69	View
440	2,4,6-trichlorophenol i	3.03	View
442	2-nitrophenol i	2.06	View
443	benzene-1,2-dicarboxylic acid i	1.07	View
444	2-methoxyphenol i	1.56	View
445	1-methylnaphthalene i	3.36	View
446	naphthalene i	3.11	View
447	quinoline i	3	View
449	1,1'-biphenyl i	3.25	View
450	[1,1'-biphenyl]-4,4'-diamine i	3.46	View
451	2-(2,4-dichlorophenoxy)acetic acid i	1.48	View
453	1-benzothiophene i	3.49	View
454	1,2-xylene i	2.38	View
455	2-methylphenol i	1.34	View
456	1,2-dichlorobenzene i	2.51	View
459	1,2,4-trimethylbenzene i	3.6	View
460	1,2,4,5-tetramethylbenzene i	3.12	View
461	1,2,4,5-tetrachlorobenzene i	3.2	View
462	2,4,5-trichlorophenol i	2.96	View
467	1-phenylethan-1-one i	1.59	View
468	nitrobenzene i	2.07	View
470	4-nitrophenol i	2.06	View
471	ethylbenzene i	2.32	View
472	ethenylbenzene i	2.96	View
473	phenylmethanol i	0.7	View
474	anisole i	1.54	View
475	phenoxybenzene i	3.29	View
476	propylbenzene i	2.87	View
477	2-phenylacetic acid i	1.45	View
479	1,4-xylene i	2.47	View
480	1,4-dichlorobenzene i	2.54	View
481	4-chloroaniline i	1.97	View
483	prop-2-enal i	-0.31	View
484	1,2-dichloroethane i	1.54	View
494	1,3-xylene i	2.77	View
495	(2S)-1-chloro-2-{[(2R)-1-chloropropan-2-yl]oxy}propane i	1.73	View
496	1,3,5-trimethylbenzene i	2.82	View
497	1,3,5-trichlorobenzene i	2.85	View
498	bromobenzene i	2.34	View
500	toluene i	2.2	View
502	chlorobenzene i	2.38	View
506	phenol i	1.43	View
510	butan-1-amine i	1.88	View
521	hexan-1-ol i	1.01	View
524	1-chloro-2-(2-chloroethoxy)ethane i	1.52	View
527	octan-1-ol i	1.56	View
530	N-methyl-1-[2-(propan-2-yloxy)phenoxy]methanimidic acid i	1.45	View
532	(E)-[2-methyl-2-(methylsulfanyl)propylidene][(methyl-C-hydroxycarbonimidoyl)oxy]amine i	1.57	View
533	hexachlorobenzene i	3.79	View
536	diphenylmethanone i	2.67	View
537	anthracene i	4.34	View
538	benzene-1,2-diol i	2.05	View
539	1,2,4-trichlorobenzene i	3.05	View
540	2,4-dichlorophenol i	2.75	View
542	N,N-dimethylaniline i	2.26	View
543	1,4-diethyl (2R)-2-{[dimethoxy(sulfanylidene)-λ⁵-phosphanyl]sulfanyl}butanedioate i	2.68	View
544	N-[6-chloro-4-(ethylimino)-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene]ethan-1-amine i	2.12	View
545	N-phenylaniline i	2.78	View
548	1,4-dioxane i	1.23	View
552	pyrene i	4.79	View
553	8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	3.91	View
554	naphthalen-1-amine i	3.51	View
555	dimethylcarbamothioylsulfanyl dimethylaminomethanedithioate i	2.83	View
558	hexanoic acid i	1.46	View
559	perylene i	5.49	View
560	fluoranthene i	4.71	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	4.99	View
562	chrysene i	5.5	View
565	O,O-dimethyl O-4-nitrophenyl phosphorothioate i	3	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	4.4	View
568	N'-(3,4-dichlorophenyl)-N,N-dimethylcarbamimidic acid i	2.5	View
569	N'-(3,4-dichlorophenyl)-N-methoxy-N-methylcarbamimidic acid i	2.81	View
570	O,O-diethyl O-6-methyl-2-(propan-2-yl)pyrimidin-4-yl phosphorothioate i	2.75	View
572	2,3-dihydro-1H-indene i	3.63	View
573	1,2,3-trimethylbenzene i	2.8	View
575	1,3-dichlorobenzene i	2.48	View
577	2,3-dimethylnaphthalene i	4.08	View
578	iodobenzene i	3.1	View
583	1,2,3,4,5-pentachlorobenzene i	4.41	View
588	1,2,3,4-tetrachlorobenzene i	3.76	View
589	1,2,3,5-tetrachlorobenzene i	3.35	View
591	N,N-dipropyl(ethylsulfanyl)formamide i	2.38	View
592	1-ethylnaphthalene i	3.78	View
593	1-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]-N-methylmethanimidic acid i	1.61	View
594	2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline i	4.15	View
597	N-[6-chloro-4-(ethylimino)-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene]propan-2-amine i	2.21	View
598	3,6-dichloro-2-methoxybenzoic acid i	1.5	View
600	3-chloro-1,1'-biphenyl i	4.42	View
601	N,N-bis(propan-2-yl){[(2Z)-2,3-dichloroprop-2-en-1-yl]sulfanyl}formamide i	3.28	View
602	N,N-bis(propan-2-yl)[(2,3,3-trichloroprop-2-en-1-yl)sulfanyl]formamide i	3.35	View
603	2,3,4,5-tetrachloro-6-methoxyphenol i	2.85	View
608	(2S)-2-(4-chloro-2-methylphenoxy)propanoic acid i	1.3	View
609	2,3,5,6-tetrachloro-7,7-bis(chloromethyl)-1-(dichloromethyl)bicyclo[2.2.1]heptane i	3.14	View
610	N-butyl-2-{[hydroxy(methoxy)methylidene]amino}-1H-1,3-benzodiazole-1-carboximidic acid i	2.71	View
617	2,6-dinitro-4-(propan-2-yl)-N,N-dipropylaniline i	4	View
626	2-chloro-N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]acetamide i	2.46	View
628	formaldehyde i	0.56	View
629	N-(4-methoxyphenyl)ethanimidic acid i	1.4	View
630	dimethyl [(1R)-2,2,2-trichloro-1-hydroxyethyl]phosphonate i	1.6	View
631	O,O-dimethyl O-3-methyl-4-(methylsulfanyl)phenyl phosphorothioate i	3.18	View
632	16-methylpentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁷,²⁰]icosa-1,3,5,7,9,11,13,15,17(20)-nonaene i	6.1	View
633	carbamimidic acid i	1.03	View
634	(2S)-propane-1,2-diol i	0.36	View
635	7,12-dimethyltetraphene i	5.36	View
636	2,3,4,6-tetrachlorophenol i	3.35	View
637	4-[(E)-2-phenyldiazen-1-yl]aniline i	2.79	View
638	N,N-dimethyl-4-[(E)-2-phenyldiazen-1-yl]aniline i	3.87	View
639	2-phenylethan-1-ol i	1.5	View
640	2-{[dimethoxy(sulfanylidene)-λ⁵-phosphanyl]sulfanyl}-N-methylethanimidic acid i	1.08	View
641	4-nitrobenzoic acid i	1.54	View
642	carbamimidothioic acid i	0.85	View
643	2,2-dichloroethenyl dimethyl phosphate i	1.67	View
644	N-(3-methylphenyl)carbamimidic acid i	1.56	View
645	N-phenylcarbamimidic acid i	1.43	View
646	1,1,1-trichloroethane i	2.04	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	4.08	View
648	1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene i	4.8	View
649	bromomethane i	1.34	View
650	oxirane i	0.34	View
651	tribromomethane i	2.2	View
652	1,1-dichloroethane i	1.48	View
653	1,1-dichloroethene i	1.81	View
654	trichloro(fluoro)methane i	2.2	View
655	trichloro(nitro)methane i	1.79	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	4.01	View
657	hexachlorocyclopenta-1,3-diene i	3.17	View
658	1-({[bis(butylsulfanyl)phosphoryl]methyl}sulfanyl)propane i	3.7	View
659	3,5,5-trimethylcyclohex-2-en-1-one i	1.4	View
660	1,1,2-trichloroethane i	1.81	View
661	4-hydroxy-3-[(1S)-3-oxo-1-phenylbutyl]-2H-chromen-2-one i	2.96	View
662	1-amino-2-methyl-9,10-dihydroanthracene-9,10-dione i	3.9	View
663	1,2,3,4,5-pentachloro-6-nitrobenzene i	4.56	View
664	1,2-dihydroacenaphthylene i	3.85	View
665	9,10-dihydroanthracene-9,10-dione i	3.57	View
666	1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate i	3.14	View
667	1,2-dihexyl benzene-1,2-dicarboxylate i	4.72	View
668	benzo[f]quinoline i	4.81	View
669	1,2,3,4,5-pentabromo-6-ethylbenzene i	4.92	View
670	2-(2,3,6-trichlorophenyl)acetic acid i	1.55	View
671	1,3-dihydro-2-benzofuran-1,3-dione i	1.56	View
672	butyl 2-[(2-butoxy-2-oxoethoxy)carbonyl]benzoate i	3.7	View
673	9H-carbazole i	3.68	View
674	2-(naphthalen-1-yl)ethanimidic acid i	2	View
675	2-(naphthalen-1-yl)acetic acid i	2.25	View
676	1,2,3-trichlorobenzene i	3.29	View
677	pentachlorophenol i	3.34	View
678	2-[(2R)-butan-2-yl]-4,6-dinitrophenol i	2.4	View
679	naphthalen-1-ol i	3.03	View
680	4-[4-(dimethylamino)benzoyl]-N,N-dimethylaniline i	2.21	View
681	diphenylmethanol i	2.34	View
682	1,2-dimethoxybenzene i	2.03	View
683	2-methylnaphthalene i	3.52	View
684	N,N-diethylaniline i	2.37	View
685	N-[2-(dimethylamino)ethyl]-N-[(thiophen-2-yl)methyl]pyridin-2-amine i	2.87	View
686	3,3'-dichloro-[1,1'-biphenyl]-4,4'-diamine i	4.35	View
687	tetracene i	5.81	View
688	phenazine i	3.37	View
689	1-{[1,1'-biphenyl]-4-yl}ethan-1-one i	3.22	View
690	1-(naphthalen-2-yl)ethan-1-one i	2.93	View
691	methyl benzoate i	2.1	View
692	methyl 2-(2,4,5-trichlorophenoxy)acetate i	2.52	View
693	2-(2,4,5-trichlorophenoxy)acetic acid i	1.86	View
694	ethyl benzoate i	2.3	View
695	phenyl benzoate i	3.16	View
696	ethyl 4-methylbenzoate i	2.59	View
697	5-(prop-2-en-1-yl)-2H-1,3-benzodioxole i	2.83	View
698	2-(4-chloro-2-methylphenoxy)acetic acid i	1.73	View
699	1-chloro-2-methylbenzene i	2.55	View
700	2-chlorophenol i	2.16	View
701	3,4-dichloroaniline i	2.29	View
702	3,4-dichlorophenol i	3.09	View
703	(2R)-1,2-dibromo-3-chloropropane i	1.98	View
704	3-(trifluoromethyl)aniline i	2.36	View
705	(1R)-1-phenylethan-1-ol i	1.5	View
706	3-nitroaniline i	1.73	View
707	2,6-dichloro-4-nitroaniline i	3.35	View
708	3,5-dinitrobenzoic acid i	1.9	View
709	1,3,5-trinitrobenzene i	1.3	View
710	1,2-dichloro-4-nitrobenzene i	2.53	View
711	1,3-dinitrobenzene i	1.56	View
712	ethyl 4-nitrobenzoate i	2.48	View
713	4-methylbenzoic acid i	1.77	View
714	4-hydroxybenzoic acid i	1.43	View
715	4-nitroaniline i	1.88	View
716	pyridine-3-carbonitrile i	1.65	View
717	N-methylaniline i	2.28	View
718	4,6-dichloro-N-(2-chlorophenyl)-1,2-dihydro-1,3,5-triazin-2-imine i	3.24	View
719	propan-2-yl N-(3-chlorophenyl)carbamate i	2.65	View
720	N,N-dimethyl-N'-phenylcarbamimidic acid i	1.4	View
721	4-{[4-(dimethylamino)phenyl]methyl}-N,N-dimethylaniline i	3.96	View
722	4-[(4-aminophenyl)methyl]aniline i	1.99	View
723	ethyl 2-phenylacetate i	1.89	View
724	ethyl N-phenylcarbamate i	1.82	View
725	1,3,5-triethylbenzene i	4.12	View
726	bis(2-ethylhexyl) hexanedioate i	4.19	View
727	(E)-diphenyldiazene i	3.22	View
728	2-(pyridin-2-yl)ethan-1-ol i	1.45	View
729	N-phenylethanimidic acid i	1.43	View
730	N-(4-bromophenyl)ethanimidic acid i	1.95	View
731	butylbenzene i	3.4	View
732	ethyl heptanoate i	2.61	View
733	ethyl octanoate i	3.02	View
734	4-bromoaniline i	1.96	View
735	4-bromophenol i	2.41	View
736	4-chlorophenol i	1.85	View
737	4-methylaniline i	1.9	View
738	(2R)-2-(chloromethyl)oxirane i	1	View
739	1,2-dibromoethane i	1.72	View
740	3-methylphenol i	1.54	View
741	3-chlorophenol i	2.18	View
742	3-methylaniline i	1.65	View
743	benzene-1,3-diol i	1.01	View
744	3,5-dimethylphenol i	2.83	View
745	heptan-1-ol i	1.14	View
746	decan-1-ol i	2.59	View
747	dodecan-1-ol i	3.52	View
748	N-(2-chlorophenyl)carbamimidic acid i	1.61	View
749	(1R,2S,3R,4S)-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid i	2.79	View
750	6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin-3-oxide i	4.13	View
751	2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethan-1-ol i	3.7	View
752	O,O-diethyl O-4-[(R)-methanesulfinyl]phenyl phosphorothioate i	2.52	View
753	1,2,4,5-tetrachloro-3-nitrobenzene i	4.05	View
754	1,2-bis[(2R)-2-ethylhexyl] benzene-1,2-dicarboxylate i	4.97	View
755	1,2-dioctyl benzene-1,2-dicarboxylate i	4.38	View
756	tetrachlorocyclohexa-2,5-diene-1,4-dione i	2.32	View
757	2-methyl-1,3,5-trinitrobenzene i	2.72	View
758	2,2'-biquinoline i	4.02	View
759	(2S)-2-(2,4-dichlorophenoxy)propanoic acid i	3	View
760	3,5-dinitrobenzene-1-carboximidic acid i	2.31	View
761	O,O-dimethyl O-3-methyl-4-nitrophenyl phosphorothioate i	2.63	View
762	N-(3-nitrophenyl)ethanimidic acid i	1.94	View
763	propan-2-yl N-phenylcarbamate i	1.77	View
764	1,2-diphenylhydrazine i	2.98	View
765	pyridazine-3,6-diol i	0.45	View
766	dibromo(chloro)methane i	1.92	View
767	tetrachloroethene i	2.47	View
768	hexacyclo[10.10.2.0²,⁷.0⁹,²³.0¹³,¹⁸.0²⁰,²⁴]tetracosa-1(22),2,4,6,9,11,13,15,17,20,23-undecaene-8,19-dione i	4.28	View
769	8-thiatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	4.05	View
770	(3aS,7aS)-2-[(trichloromethyl)sulfanyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione i	2.3	View
771	2-[(trichloromethyl)sulfanyl]-2,3-dihydro-1H-isoindole-1,3-dione i	3.27	View
772	3-amino-2,5-dichlorobenzoic acid i	1.4	View
773	N-{6-chloro-4-[(propan-2-yl)imino]-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene}propan-2-amine i	2.3	View
774	4-[(4-aminophenyl)sulfanyl]aniline i	2.04	View
775	(2Z)-3-[(dimethoxyphosphoryl)oxy]-N,N-dimethylbut-2-enamide i	1.66	View
776	nonan-1-ol i	1.89	View
777	(1R,2R,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid i	2.09	View
778	2-(1,3-thiazol-4-yl)-1H-1,3-benzodiazole i	3.24	View
779	1,3-benzothiazole-2-thiol i	2.25	View
780	4-aminobenzoic acid i	2.05	View
781	3-methoxyphenol i	1.5	View
782	1-(4-chlorophenyl)-3,3-dimethylurea i	1.95	View
783	4-methoxyphenol i	1.75	View
784	aziridine i	0.78	View
785	1,2-dichloroethene i	1.77	View
786	hexacyclo[10.10.2.0²,⁷.0⁹,²³.0¹⁴,¹⁹.0²⁰,²⁴]tetracosa-1(22),2,4,6,8,10,12,14,16,18,20,23-dodecaene i	5.71	View
787	hexacyclo[12.8.0.0²,¹¹.0³,⁸.0⁴,²¹.0¹⁷,²²]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene i	5.38	View
788	pentacyclo[10.6.2.0²,⁷.0⁸,²⁰.0¹⁵,¹⁹]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene i	6.07	View
789	hexacyclo[16.3.1.0²,⁷.0⁸,²¹.0¹¹,²⁰.0¹⁴,¹⁹]docosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene i	6.33	View
790	12-azapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁶,²¹]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene i	6.02	View
791	pentacyclo[10.7.1.0²,⁷.0⁸,²⁰.0¹³,¹⁸]icosa-1(19),2,4,6,8(20),9,11,13,15,17-decaene i	5.36	View
792	acenaphthylene i	3.75	View
793	pentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁷,²²]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene i	6.02	View
794	benzo[a]acridine i	4.39	View
795	tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2,4,6,8,11,13,15-octaene i	5.46	View
796	12-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene i	6.02	View
797	acridine i	4.11	View
798	O,O-diethyl {[(ethylsulfanyl)methyl]sulfanyl}phosphonothioate i	3.11	View
799	O,O-diethyl {[2-(ethylsulfanyl)ethyl]sulfanyl}phosphonothioate i	3.13	View
800	(1R)-1,2-dibromo-2,2-dichloroethyl dimethyl phosphate i	2.23	View
801	[(R)-2-[(dimethylphosphoryl)sulfanyl]ethanesulfinyl]ethane i	1.05	View
802	5-bromo-3-[(2S)-butan-2-yl]-2-hydroxy-6-methyl-3,4-dihydropyrimidin-4-one i	1.73	View
803	5-bromo-2-hydroxy-6-methyl-3-(propan-2-yl)-3,4-dihydropyrimidin-4-one i	2.11	View
804	1,2,3,4,5,6-hexachlorocyclohexane i	3.25	View
805	1,2,3,4,5,6-hexachlorocyclohexane i	3.36	View
806	N'-(3-fluorophenyl)-N,N-dimethylcarbamimidic acid i	1.73	View
807	1-(4-fluorophenyl)-3,3-dimethylurea i	1.43	View
808	methyl (2E)-3-[(dimethoxyphosphoryl)oxy]but-2-enoate i	1.97	View
809	N-(3-fluorophenyl)ethanimidic acid i	1.57	View
810	N-[3-(trifluoromethyl)phenyl]ethanimidic acid i	1.75	View
811	N-(4-fluorophenyl)ethanimidic acid i	1.48	View
812	2,2'-bipyridine i	1.6	View
813	4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline i	3.31	View
814	ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate i	3.38	View
815	2,3,4,5,6-pentachloroaniline i	4.62	View
816	3,4-dinitrobenzoic acid i	1.53	View
817	N-(2-chlorophenyl)ethanimidic acid i	1.58	View
818	N-(3-methylphenyl)ethanimidic acid i	1.45	View
819	ethyl pentanoate i	1.97	View
820	(1E)-1,3-dichloroprop-1-ene i	1.52	View
821	2,4-dichloroaniline i	2.72	View
822	3-nitrophenol i	1.72	View
823	N-butyl-N'-(3,4-dichlorophenyl)-N-methylcarbamimidic acid i	3.38	View
824	isothiocyanatomethane i	0.97	View
825	O,O-diethyl [({[diethoxy(sulfanylidene)-λ⁵-phosphanyl]sulfanyl}methyl)sulfanyl]phosphonothioate i	4.13	View
826	2,3-dichlorophenol i	2.65	View
827	1-bromo-4-nitrobenzene i	2.42	View
828	N'-(3-chlorophenyl)-N,N-dimethylcarbamimidic acid i	1.79	View
829	2-chloro-N-phenylethanimidic acid i	1.58	View
830	N-(3-chlorophenyl)ethanimidic acid i	1.86	View
831	3,5-dichlorophenol i	2.83	View
832	dibromodichloromethane i	1.92	View
833	trichloroethanimidic acid i	0.99	View
834	N-methylcarbamimidic acid i	1.77	View
835	2,6-dichloroaniline i	3.25	View
836	3,4,5-trichlorophenol i	3.56	View
837	2-chlorobenzene-1-carboximidic acid i	1.51	View
838	2-nitrobenzene-1-carboximidic acid i	1.45	View
839	N,N-dimethylbenzamide i	1.54	View
840	anthracen-2-amine i	4.45	View
841	N-methylbenzenecarboximidic acid i	1.42	View
842	ethyl 3,5-dinitrobenzoate i	2.74	View
843	3,5-dinitroaniline i	2.55	View
844	4-methylbenzamide i	1.78	View
845	4-nitrobenzamide i	1.93	View
846	N-(3-bromophenyl)ethanimidic acid i	2.01	View
847	1-ethyl-4-methylbenzene i	3.62	View
848	3,5-dichloroaniline i	2.44	View
849	1,1,1,2-tetrachloroethane i	1.73	View
850	tetrachlorobenzene-1,2-dicarboxylic acid i	3.3	View
851	2,3,4-trichloroaniline i	2.63	View
852	2,3,4,5-tetrachloroaniline i	3.04	View
853	3-nitrobenzene-1-carboximidic acid i	1.95	View
854	1,2,3,4,5-pentafluoro-6-methanesulfonylbenzene i	1.46	View
855	N-(2-fluorophenyl)carbamimidic acid i	1.32	View
856	N-(4-fluorophenyl)carbamimidic acid i	1.52	View
857	N-[6-(ethylimino)-4-methoxy-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene]ethan-1-amine i	2.34	View
858	N,N-diethylacetamide i	1.84	View
859	2,3,5-trimethylphenol i	3.61	View
860	N-(3,4-dichlorophenyl)propanimidic acid i	2.18	View
861	anthracene-9-carboxylic acid i	2.69	View
862	O,O-dimethyl {[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]sulfanyl}phosphonothioate i	2.85	View
863	O,O-bis(propan-2-yl) [(2-benzenesulfonamidoethyl)sulfanyl]phosphonothioate i	3.5	View
864	N-(3-fluorophenyl)carbamimidic acid i	1.77	View
865	9-methylanthracene i	4.81	View
866	1-(anthracen-9-yl)ethan-1-one i	3.58	View
867	O,O-diethyl ({[(4-chlorophenyl)sulfanyl]methyl}sulfanyl)phosphonothioate i	4.66	View
868	cyclohexylbenzene i	4.18	View
869	N-[4-(ethylimino)-6-(methylsulfanyl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene]propan-2-amine i	2.59	View
870	1-[(E)-2-phenyldiazen-1-yl]naphthalen-2-ol i	3.58	View
871	1,2,3,4-tetrachloro-5-nitrobenzene i	4.23	View
872	N-tert-butyl-4-(ethylimino)-6-(methylsulfanyl)-1,4-dihydro-1,3,5-triazin-2-amine i	2.85	View
873	N-cyclohexyl-N'-phenylcarbamimidic acid i	2.07	View
874	dimethyl {[2-(ethylsulfanyl)ethyl]sulfanyl}phosphonate i	1.49	View
875	2,3,5-trichlorophenol i	3.61	View
876	2-ethylnaphthalene i	3.76	View
877	ethoxy-ethyl-phenylsulfanyl-sulfanylidenephosphorane i	3.32	View
878	O,O-dimethyl {[(5-methoxy-2-oxo-2,3-dihydro-1,3,4-thiadiazol-3-yl)methyl]sulfanyl}phosphonothioate i	2.03	View
879	O,O-dimethyl ({[(4-chlorophenyl)sulfanyl]methyl}sulfanyl)phosphonothioate i	4.67	View
880	N,N-dimethyl-2,2-diphenylacetamide i	2.06	View
881	(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl dimethyl phosphate i	3.07	View
882	N'-methyl-N-phenylcarbamimidic acid i	1.29	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	4.02	View
884	N-butyl-N-ethyl(propylsulfanyl)formamide i	2.8	View
885	N-phenylbutanimidic acid i	1.71	View
886	N-{[(S)-ethanesulfinyl]methyl}-N-ethylaniline i	2.54	View
887	2,6-dichlorobenzonitrile i	2.38	View
888	tetrachlorobenzene-1,2-diol i	1.56	View
889	(anthracen-9-yl)methanol i	3.61	View
890	2,3-dihydro-1H-inden-5-ol i	3.63	View
891	butyl N-phenylcarbamate i	2.26	View
892	N-[4-(ethylimino)-6-methoxy-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene]propan-2-amine i	2.64	View
893	1,2-diethylhydrazine i	1.18	View
894	(E)-{2-[(R)-methanesulfinyl]-2-methylpropylidene}[(methyl-C-hydroxycarbonimidoyl)oxy]amine i	0.56	View
895	(E)-(2-methanesulfonyl-2-methylpropylidene)[(methyl-C-hydroxycarbonimidoyl)oxy]amine i	0.71	View
896	3,5-dibromo-4-hydroxybenzonitrile i	2.28	View
897	2,6-dibromo-4-cyanophenyl octanoate i	4	View
898	(4S,5R)-5-amino-4-chloro-2-phenyl-1,2-diazinan-3-one i	2.07	View
899	1-(4-chlorophenyl)-3-methoxy-3-methylurea i	2.2	View
900	methyl[(methylamino)(phenoxy)phosphoryl]amine i	1.51	View
901	2,4-dichloro-1-(4-nitrophenoxy)benzene i	3.65	View
902	1,3,5-trichloro-2-(4-nitrophenoxy)benzene i	3.9	View
903	1,4-dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate i	3.67	View
904	N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline i	4.03	View
905	tetrachlorobenzene-1,3-dicarbonitrile i	3.2	View
906	4-chloro-N-ethyl-6-(ethylimino)-N-(propan-2-yl)-1,6-dihydro-1,3,5-triazin-2-amine i	3.07	View
907	4-chloro-N,N-diethyl-6-(ethylimino)-1,6-dihydro-1,3,5-triazin-2-amine i	2.77	View
908	2,6-dichlorobenzene-1-carboimidothioic acid i	2.26	View
909	2-chloro-N-phenyl-N-(propan-2-yl)acetamide i	2.42	View
910	methyl N-(3,4-dichlorophenyl)carbamate i	2.74	View
911	N,N-dipropyl(propylsulfanyl)formamide i	2.38	View
912	2-chloro-6-(trichloromethyl)pyridine i	2.62	View
913	N-methyl-1-phenoxymethanimidic acid i	1.73	View
914	(2S)-but-3-yn-2-yl N-(3-chlorophenyl)carbamate i	2.21	View
915	N-(4-bromophenyl)carbamimidic acid i	2.09	View
916	N-(3-chlorophenyl)carbamimidic acid i	2.01	View
917	1-[4-(4-chlorophenoxy)phenyl]-3,3-dimethylurea i	3.53	View
918	N-[(1R,2R)-2-methylcyclohexyl]-N'-phenylcarbamimidic acid i	2.47	View
919	N,N-bis(2-methylpropyl)(ethylsulfanyl)formamide i	2.9	View
920	2,6-dichlorobenzene-1-carboximidic acid i	0.53	View
921	1-[3,5-dimethyl-4-(methylsulfanyl)phenoxy]-N-methylmethanimidic acid i	2.32	View
922	4,4'-dichloro-1,1'-biphenyl i	4.3	View
923	2-chloro-1,1'-biphenyl i	3.52	View
924	2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline i	3.61	View
925	ethoxy-(4-nitrophenoxy)-phenyl-sulfanylidenephosphorane i	3.12	View
926	ethyl 2-(naphthalen-1-yl)acetate i	2.48	View
927	tetrachlorobenzene-1,4-dicarboxylic acid i	3.51	View
928	N-(3,4-dichlorophenyl)ethanimidic acid i	2.34	View
929	4-(ethylimino)-6-[(propan-2-yl)imino]-1,4,5,6-tetrahydro-1,3,5-triazin-2-ol i	2.95	View
930	N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]carbamimidic acid i	2	View
931	(azepan-1-yl)(ethylsulfanyl)methanone i	1.94	View
932	octachloronaphthalene i	5.89	View
933	(2S)-N-(3-chloro-4-methylphenyl)-2-methylpentanimidic acid i	2.76	View
934	O,O-diethyl {[(6-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]sulfanyl}phosphonothioate i	2.98	View
935	[2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite i	3.6	View
936	N-(3,4-dichlorophenyl)carbamimidic acid i	2.53	View
937	Perchloropentacyclo(5.2.1.0(2,6).0(3,9).0(5,8))decane i	6	View
938	1-(3,4-dimethylphenoxy)-N-methylmethanimidic acid i	1.71	View
939	(E)-[(methyl-C-hydroxycarbonimidoyl)oxy](phenylmethylidene)amine i	1.8	View
940	6-methyl-2H-[1,3]dithiolo[4,5-b]quinoxalin-2-one i	3.36	View
941	5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole i	3	View
942	chrysen-6-amine i	5.21	View
943	2,3,4-trichloro-6-methoxyphenol i	2.9	View
944	1,4-dichloro-2,5-dimethoxybenzene i	3.11	View
945	N-methyl-1-(3,4,5-trimethylphenoxy)methanimidic acid i	2.6	View
946	diethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxyphosphorane i	3.92	View
947	(3aS,7aS)-2-[(1,1,2,2-tetrachloroethyl)sulfanyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione i	3.32	View
948	3,5-dichloro-2,6-dimethyl-1,4-dihydropyridin-4-one i	2.76	View
949	N-(3-bromophenyl)carbamimidic acid i	2.09	View
950	1-(4-bromophenyl)-3-methoxy-3-methylurea i	2.1	View
951	O,O-diethyl O-4-(methylsulfanyl)phenyl phosphorothioate i	3.18	View
952	O,O-dipropyl {[dipropoxy(sulfanylidene)-λ⁵-phosphanyl]oxy}phosphonothioate i	3.84	View
953	methyl N-(4-aminophenyl)sulfonylcarbamate i	2.04	View
954	O-4-[(4-{[dimethoxy(sulfanylidene)-λ⁵-phosphanyl]oxy}phenyl)sulfanyl]phenyl O,O-dimethyl phosphorothioate i	5	View
955	3-[(2R)-2-methylpiperidin-1-yl]propyl 3,4-dichlorobenzoate i	3.7	View
956	2,3,5,6-tetrachloroaniline i	3.94	View
957	N-(3,4-dichlorophenyl)-N'-methylcarbamimidic acid i	2.46	View
958	{[1,1'-biphenyl]-4-yl}methanol i	2.59	View
959	O,O-diethyl {[diethoxy(sulfanylidene)-λ⁵-phosphanyl]oxy}phosphonothioate i	2.66	View
960	1-{2-[(2R)-butan-2-yl]phenoxy}-N-methylmethanimidic acid i	1.71	View
961	2-(4-chloro-2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetic acid i	1.52	View
962	1-(3-chlorophenoxy)-N-methylmethanimidic acid i	2.15	View
963	N-[4-(ethylsulfanyl)-6-[(propan-2-yl)imino]-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene]propan-2-amine i	3.07	View
964	6-chloropyridine-2-carboxylic acid i	1.16	View
965	4-methanesulfonyl-2,6-dinitro-N,N-dipropylaniline i	2.92	View
966	(naphthalen-1-yl)methanol i	2.25	View
967	2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboximidic acid i	2.41	View
968	2-methyl-4,4-dioxo-N-phenyl-5,6-dihydro-1,4λ⁶-oxathiine-3-carboximidic acid i	1.7	View
969	3-chloro-4-methoxyaniline i	1.93	View
970	propyl N-phenylcarbamate i	2.06	View
971	dimethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxyphosphorane i	3.52	View
972	3-tert-butyl-5-chloro-2-hydroxy-6-methyl-3,4-dihydropyrimidin-4-one i	1.69	View
973	1,4-bis[(2S)-2-ethylhexyl] benzene-1,4-dicarboxylate i	4.16	View
974	(2E)-3-[(dimethoxyphosphoryl)oxy]-N-methylbut-2-enimidic acid i	0	View
975	4-bromo-3-methylaniline i	2.26	View
976	2,4,4'-trichloro-1,1'-biphenyl i	4.62	View
977	N-(3-chloro-4-methoxyphenyl)ethanimidic acid i	1.95	View
978	2-chloro-6-methoxy-4-(trichloromethyl)pyridine i	3.48	View
979	3,3-dimethyl-1-(4-methylphenyl)urea i	1.51	View
980	1-(4-methoxyphenyl)-3,3-dimethylurea i	1.4	View
981	methyl 3-amino-2,5-dichlorobenzoate i	2.74	View
982	N-[4-(methylsulfanyl)-6-[(propan-2-yl)imino]-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene]propan-2-amine i	2.85	View
983	(1R)-1-phenylethyl (2E)-3-[(dimethoxyphosphoryl)oxy]but-2-enoate i	2	View
984	methyl 3-[(dimethoxyphosphoryl)oxy]but-2-enoate i	1.97	View
985	(1E)-1,3-dichloroprop-1-ene i	1.41	View
986	[(S)-methoxy(methylsulfanyl)phosphoryl]amine i	0.7	View
987	O,O-diethyl ({[(R)-2-methylpropane-2-sulfinyl]methyl}sulfanyl)phosphonothioate i	2.18	View
988	2-(Carbomethoxyamino)benzimidazole i	2.35	View
989	2,2'-dichloro-1,1'-biphenyl i	3.92	View
990	O,O-diethyl {[(tert-butylsulfanyl)methyl]sulfanyl}phosphonothioate i	2.82	View
991	N-[3-(trifluoromethyl)phenyl]carbamimidic acid i	1.97	View
992	N-cyclopropyl-N'-phenylcarbamimidic acid i	1.73	View
993	N-cyclopentyl-N'-phenylcarbamimidic acid i	1.93	View
994	(2E)-2-chloro-3-[(dimethoxyphosphoryl)oxy]-N,N-diethylbut-2-enamide i	0.85	View
995	ethyl bis(propylsulfanyl)phosphinate i	1.82	View
996	N'-(4-bromo-3-chlorophenyl)-N-methoxy-N-methylcarbamimidic acid i	2.7	View
997	1-(3-{[ethoxy(hydroxy)methylidene]amino}phenoxy)-N-phenylmethanimidic acid i	3.24	View
998	1-(3-{[hydroxy(methoxy)methylidene]amino}phenoxy)-N-(3-methylphenyl)methanimidic acid i	3.38	View
999	O,O-diethyl O-4-methanesulfonylphenyl phosphorothioate i	2.17	View
1000	(2R)-N,N-diethyl-2-(naphthalen-1-yloxy)propanamide i	2.66	View
1001	N'-(3-chloro-4-methylphenyl)-N,N-dimethylcarbamimidic acid i	2.02	View
1002	2,2',6,6'-tetrachloro-1,1'-biphenyl i	5.01	View
1003	2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide i	2.28	View
1004	(Z)-[(methyl-C-hydroxycarbonimidoyl)oxy][1-(methylsulfanyl)ethylidene]amine i	1.75	View
1005	1-(3,4-dichlorophenoxy)-N-methylmethanimidic acid i	2.74	View
1006	N-(1,3-benzothiazol-2-yl)-N,N'-dimethylcarbamimidic acid i	2.8	View
1007	(E)-2-chloro-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate i	2.47	View
1008	2-chloro-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate i	2.47	View
1009	4-(dipropylamino)-3,5-dinitrobenzene-1-sulfonamide i	3.08	View
1010	5-tert-butyl-3-[2,4-dichloro-5-(propan-2-yloxy)phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-one i	3.51	View
1011	N'-(3-chloro-4-methoxyphenyl)-N,N-dimethylcarbamimidic acid i	1.72	View
1012	2-(3,4-dichlorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5-dione i	3.45	View
1013	N-(3-chloro-4-methoxyphenyl)-N'-methylcarbamimidic acid i	1.84	View
1014	N-(3-chlorophenyl)-N'-methylcarbamimidic acid i	1.93	View
1015	4-amino-6-tert-butyl-3-(methylsulfanyl)-4,5-dihydro-1,2,4-triazin-5-one i	1.85	View
1016	(4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidenephosphorane i	4.24	View
1017	N-(3-chloro-4-methylphenyl)-N'-methylcarbamimidic acid i	2.1	View
1018	[(R)-ethoxy[3-methyl-4-(methylsulfanyl)phenoxy]phosphoryl](propan-2-yl)amine i	2.52	View
1019	1-[(2,2-dimethyl-2H-1,3-benzodioxol-4-yl)oxy]-N-methylmethanimidic acid i	2.75	View
1020	(2Z)-N,N-dimethyl-2-{[(methyl-C-hydroxycarbonimidoyl)oxy]imino}-2-(methylsulfanyl)acetamide i	1	View
1021	N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide i	3.08	View
1022	methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate i	3.25	View
1023	3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzene-1-carboximidic acid i	2.31	View
1024	O,O-dipropyl ({2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl}sulfanyl)phosphonothioate i	3.44	View
1025	3-(propan-2-yl)-3,4-dihydro-1H-2λ⁶,1,3-benzothiadiazine-2,2,4-trione i	1.52	View
1026	N-(3-chloro-4-methoxyphenyl)carbamimidic acid i	2	View
1027	propan-2-yl 2-{[(S)-ethoxy[(propan-2-yl)amino]sulfanylidene-λ⁵-phosphanyl]oxy}benzoate i	2.76	View
1028	bis(propan-2-yl) (benzylsulfanyl)phosphonate i	2.4	View
1029	(2R)-2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate i	2.05	View
1030	(2R)-N-[4-(ethylimino)-6-methoxy-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene]butan-2-amine i	2.78	View
1031	N,N-bis(2-chloroethyl)-4-methyl-2,6-dinitroaniline i	3.94	View
1032	N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline i	4.01	View
1033	N-[(1R)-2,2,2-trichloro-1-{4-[(1R)-2,2,2-trichloro-1-formamidoethyl]piperazin-1-yl}ethyl]formamide i	2.8	View
1034	4-chloro-5-(methylamino)-2-[3-(trifluoromethyl)phenyl]-2,3-dihydropyridazin-3-one i	3.28	View
1035	N'-(3-methoxyphenyl)-N,N-dimethylcarbamimidic acid i	1.72	View
1036	N,N-diethyl{[(4-chlorophenyl)methyl]sulfanyl}formamide i	3.27	View
1037	N1,N1-diethyl-2,6-dinitro-4-(trifluoromethyl)benzene-1,3-diamine i	3.63	View
1038	1-bromo-2-chloro-4-nitrobenzene i	2.6	View
1039	N-[(R)-methoxy(methylsulfanyl)phosphoryl]ethanimidic acid i	0.39	View
1040	[(R)-ethoxy({4-[(R)-methanesulfinyl]-3-methylphenoxy})phosphoryl](propan-2-yl)amine i	1.57	View
1041	[(R)-ethoxy(4-methanesulfonyl-3-methylphenoxy)phosphoryl](propan-2-yl)amine i	1.64	View
1042	2-butoxyethyl 4-(2,4-dichlorophenoxy)butanoate i	2.7	View
1043	2,3',4',5-tetrachloro-1,1'-biphenyl i	4.85	View
1044	N-(2-chloroethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline i	3.55	View
1045	N-[(2R)-butan-2-yl]-4-tert-butyl-2,6-dinitroaniline i	3.95	View
1046	N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N,N'-dimethylcarbamimidic acid i	1.83	View
1047	3,3-dimethyl-1-[4-(propan-2-yl)phenyl]urea i	2.11	View
1048	2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide i	2.22	View
1049	2,2',4,4',5,5'-hexachloro-1,1'-biphenyl i	5.87	View
1050	1-(4-chlorophenyl)-3-[(2,6-difluorophenyl)(hydroxy)methylidene]urea i	3.83	View
1051	ethoxy-(4-methylsulfanylphenoxy)-propylsulfanyl-sulfanylidenephosphorane i	4.25	View
1052	1-[(2R)-2-(2,4-dichlorophenyl)-2-(prop-2-en-1-yloxy)ethyl]-1H-imidazole i	3.73	View
1053	2,2',5,5'-tetrachloro-1,1'-biphenyl i	4.82	View
1054	2,2',4,4',6,6'-hexabromo-1,1'-biphenyl i	4.87	View
1055	N'-(3,5-dimethylphenyl)-N,N-dimethylcarbamimidic acid i	1.73	View
1056	3-(3,5-dichlorophenyl)-2,4-dioxo-N-(propan-2-yl)imidazolidine-1-carboximidic acid i	2.17	View
1057	2,2',5-trichloro-1,1'-biphenyl i	4.23	View
1058	2,2',4-trichloro-1,1'-biphenyl i	4.84	View
1059	2,2',4,5,5'-pentachloro-1,1'-biphenyl i	4.63	View
1060	2,2',3,4,5'-pentachloro-1,1'-biphenyl i	4.68	View
1061	2,2',3,3',4,4'-hexachloro-1,1'-biphenyl i	5.74	View
1062	ethyl 2-[2-chloro-N-(2,6-diethylphenyl)acetamido]acetate i	3.11	View
1063	3,4-dimethyl-2,6-dinitro-N-(pentan-3-yl)aniline i	2.96	View
1064	4-bromo-2-chloro-1-(ethoxy-propylsulfanylphosphoryl)oxybenzene i	3.03	View
1065	4-amino-3-methyl-6-phenyl-4,5-dihydro-1,2,4-triazin-5-one i	2.17	View
1066	methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate i	3.66	View
1067	2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene i	4.85	View
1068	3-cyclohexyl-6-(dimethylamino)-1-methyl-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dione i	1.73	View
1069	methyl (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate i	4.2	View
1070	(R)-cyano(3-phenoxyphenyl)methyl (2S)-2-(4-chlorophenyl)-3-methylbutanoate i	4.37	View
1071	N'-phenyl-N-(1,2,3-thiadiazol-5-yl)carbamimidic acid i	2.02	View
1072	(S)-cyano(3-phenoxyphenyl)methyl (1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate i	4.64	View
1073	(3-phenoxyphenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate i	4	View
1074	2,2',3,4,5,5'-hexachloro-1,1'-biphenyl i	5.95	View
1075	2,2',3,4,5,5',6-heptachloro-1,1'-biphenyl i	5.77	View
1076	N-ethyl-N-(2-methylprop-2-en-1-yl)-2,6-dinitro-4-(trifluoromethyl)aniline i	3.8	View
1077	5,6-dimethyl-2,3-dihydro-1λ⁶,4λ⁶-dithiine-1,1,4,4-tetrone i	0.48	View
1078	1-(5-tert-butyl-2,3-dihydro-1,2-oxazol-3-ylidene)-3,3-dimethylurea i	2.47	View
1079	O,O-diethyl {[(2-methylpropane-2-sulfonyl)methyl]sulfanyl}phosphonothioate i	2.18	View
1080	methyl (2S)-2-[N-(2,6-dimethylphenyl)-2-methoxyacetamido]propanoate i	1.63	View
1081	(2R)-2-(3,5-dichlorophenyl)-2-(2,2,2-trichloroethyl)oxirane i	3.75	View
1082	(Z)-[1-(methylsulfanyl)ethylidene]amino N-methyl-N-{[(3E)-3-methyl-6-oxo-5-oxa-2-thia-4,7-diazaoct-3-en-7-yl]sulfanyl}carbamate i	2.49	View
1083	1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridin-4-one i	2.75	View
1084	(3R,4S)-3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one i	2.55	View
1085	N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline i	4	View
1086	pentyl N-phenylcarbamate i	2.61	View
1087	N2-cyclopropyl-1,3,5-triazinane-2,4,6-triimine i	2.3	View
1088	(S)-cyano(3-phenoxyphenyl)methyl (2R)-2-(4-chlorophenyl)-3-methylbutanoate i	3.72	View
1089	ethyl (2R)-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate i	3.98	View
1090	(R)-cyano(3-phenoxyphenyl)methyl (1S,3S)-2,2-dimethyl-3-[(1S)-1,2,2,2-tetrabromoethyl]cyclopropane-1-carboxylate i	5	View
1091	N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide i	2.7	View
1092	(S)-cyano(4-fluoro-3-phenoxyphenyl)methyl (1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate i	5	View
1093	butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate i	2.76	View
1094	(S)-cyano(3-phenoxyphenyl)methyl (2R)-2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate i	5	View
1095	(E)-[(4-chlorophenyl)methylidene][(methyl-C-hydroxycarbonimidoyl)oxy]amine i	2	View
1096	(5S)-2-[(1E)-1-(ethoxyimino)butyl]-5-[(2S)-2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one i	2	View
1097	methyl 2-({[(4,6-dimethylpyrimidin-2-yl)-C-hydroxycarbonimidoyl]amino}sulfonyl)benzoate i	1.8	View
1098	ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate i	2.74	View
1099	1-(4-bromo-3,5-dimethylphenyl)-3,3-dimethylurea i	2.53	View
1100	N-(4-phenoxyphenyl)carbamimidic acid i	2.56	View
1101	N-(4-fluoro-3-methylphenyl)carbamimidic acid i	1.75	View
1102	N-(4-bromo-3-methylphenyl)carbamimidic acid i	2.37	View
1103	(4R,5R)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboximidic acid i	3.79	View
1104	ethyl N-[2-[4-(phenoxy)phenoxy]ethyl]carbamate i	3	View
1105	2-[(5S)-5-methyl-4-oxo-5-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid i	2	View
1106	2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide i	2.4	View
1107	{2-methyl-[1,1'-biphenyl]-3-yl}methyl (1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate i	5.35	View
1108	(1R,2S,4S)-1-methyl-2-[(2-methylphenyl)methoxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane i	2.6	View
1109	ethyl 2-({[(4-chloro-6-methoxypyrimidin-2-yl)-C-hydroxycarbonimidoyl]amino}sulfonyl)benzoate i	2.04	View
1110	(R)-cyano(3-phenoxyphenyl)methyl (1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate i	5.26	View

Bibliography

Sabljić, A.; Güsten, H.; Verhaar, H.; Hermens, J. QSAR modelling of soil sorption. Improvements and systematics of log KOC vs. log KOW correlations. Chemosphere 1995, 31, 4489–4514. https://doi.org/10.1016/0045-6535(95)00327-5
Tao, S.; Piao, H.; Dawson, R.; Lu, X.; Hu, H. Estimation of Organic Carbon Normalized Sorption Coefficient (Koc) for Soils Using the Fragment Constant Method . Environ. Sci. Technol. 1999, 33, 2719–2725. https://doi.org/10.1021/es980833d
Huuskonen, J. Prediction of Soil Sorption Coefficient of a Diverse Set of Organic Chemicals From Molecular Structure. J. Chem. Inf. Model. 2003, 43, 1457–1462. https://doi.org/10.1021/ci020342j

10967/177 - QDB Compounds

QsarDB Repository

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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