mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CNC(=O)Nc1ccc(Cl)c(Cl)c1</smiles> is A member of the class of phenylureas that is urea in which a hydrogens attached to one nitrogen is substituted by a methyl group, and one of the hydrogens attached to the other nitrogen is substituted by a 3,4-dichlorophenyl group. It is a metabolite of diuron. It has the role of marine xenobiotic metabolite. It is also related to or classified as a 1-methyl-3-phenylurea . It is also related to or classified as dichlorobenzene . It is also related to or classified as phenylureas.
The molecule <smiles>NC(=O)Nc1ccc(Cl)c(Cl)c1</smiles> is A member of the class of ureas that is urea substituted by a 3,4-dichlorophenyl group at position 1. It is a metabolite of the herbicide diuron. It has the role of marine xenobiotic metabolite.  It is also related to or classified as dichlorobenzene . It is also related to or classified as phenylureas.
The molecule <smiles>CNC(=O)Nc1ccc(cc1)C(C)C</smiles> is A member of the class of phenylureas that is 1-methylurea substituted by a p-cumenyl group at position 3. It is a metabolite of the herbicide isoproturon. It has the role of marine xenobiotic metabolite. It is also related to or classified as a 1-methyl-3-phenylurea . It is also related to or classified as phenylureas.
The molecule <smiles>CCc1cccc(C)c1N([C@@H](C)COC)C(=O)C(O)=O</smiles> is the (S)-enantiomer of  [(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino](oxo)acetic acid. It is also related to or classified as [(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino](oxo)acetic acid .
The molecule <smiles>CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1</smiles> is an  aromatic ketone that is cyclohexane-1,3-dione substituted by a 2-chloro-4-(methylsulfonyl)benzoyl group at position 2. It has the role of carotenoid biosynthesis inhibitor. It has the role of herbicide. It has the role of xenobiotic. It has the role of environmental contaminant.   It is also related to or classified as sulfone . It is also related to or classified as beta-triketone, cyclohexanones, aromatic ketone.
The molecule <smiles>CC(C)Nc1nc(N)nc(O)n1</smiles> is A diamino-1,3,5-triazine that is N-(propan-2-yl)-1,3,5-triazine-2,4-diamine substituted by a hydroxy group at position 2. It is a metabolite of the herbicide atrazine. It has the role of marine xenobiotic metabolite. It is also related to or classified as diamino-1,3,5-triazine, heteroaryl hydroxy compound.
The molecule <smiles>CCc1cccc(C)c1N([C@@H](C)COC)C(=O)CS(O)(=O)=O</smiles> is the (S)-enantiomer of  2-[(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino]-2-oxoethanesulfonic acid. It is also related to or classified as 2-[(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino]-2-oxoethanesulfonic acid .
The molecule <smiles>CCNc1nc(O)nc(NC(C)(C)C)n1</smiles> is A diamino-1,3,5-triazine that is 1,3,5-triazin-2-ol substituted by a tert-butylamino group at position 4 and an ethylamino group at position 6. It is a metabolite of the herbicide terbutylazine,. It has the role of marine xenobiotic metabolite. It is also related to or classified as diamino-1,3,5-triazine, heteroaryl hydroxy compound.
The molecule <smiles>CN(C)S(=O)(=O)Nc1ccc(C)cc1</smiles> is A member of the class of  sulfamides that is N,N-dimethylsulfuric diamide substituted by a 4-methylphenyl group at the amino nitrogen atom. It is a metabolite of the agrochemical tolylfluanid. It has the role of marine xenobiotic metabolite. It is also related to or classified as sulfamides.
The molecule <smiles>CC(C)N(C(=O)C(O)=O)c1ccc(F)cc1</smiles> is A monocarboxylic acid that is oxoacetic acid substituted by a (4-fluorophenyl)(propan-2-yl)amino group at position 2. It is a metabolite of the herbicide flufenacet.   It is also related to or classified as monofluorobenzenes . It is also related to or classified as monocarboxylic acid, aromatic amide.
The molecule <smiles>CC(C)N(C(=O)CS(O)(=O)=O)c1ccc(F)cc1</smiles> is an  organosulfonic acid that is 2-oxoethanesulfonic acid substituted by a (4-fluorophenyl)(propan-2-yl)amino group at position 2. It is metabolite of the herbicide flufenacet. It has the role of marine xenobiotic metabolite. It is also related to or classified as organosulfonic acid .  It is also related to or classified as monofluorobenzenes . It is also related to or classified as aromatic amide.
The molecule <smiles>CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O</smiles> is A monocarboxylic acid that is 2-methylpropanoic acid substituted by a 4-(4-chlorobenzoyl)phenoxy group at position 2. It is a metabolite of the drug fenofibrate. It has the role of drug metabolite. It has the role of marine xenobiotic metabolite. It is also related to or classified as chlorobenzophenone, monocarboxylic acid, aromatic ketone.
The molecule <smiles>CC(C)NCC(O)COc1ccc(CC(O)=O)cc1</smiles> is A monocarboxylic acid that is phenylacetic acid substituted by a 2-hydroxy-3-(propan-2-ylamino)propoxy group at position 4. It is a metabolite of the drug atenolol. It has the role of drug metabolite. It has the role of marine xenobiotic metabolite.   It is also related to or classified as secondary alcohol . It is also related to or classified as monocarboxylic acid, aromatic ether, secondary amino compound.
The molecule <smiles>CCc1cccc(C)c1N([C@H](C)COC)C(=O)CS(O)(=O)=O</smiles> is the (R)-enantiomer of  2-[(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino]-2-oxoethanesulfonic acid. It is also related to or classified as 2-[(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino]-2-oxoethanesulfonic acid .
The molecule <smiles>Nc1cnnc(O)c1Cl</smiles> is A heteroaryl hydroxy compound that is pyridazin-3-ol substituted by an amino group at position 5 and a chloro group at position 4. It is a metabolite of the herbicide chloridazone. It has the role of marine xenobiotic metabolite. It is also related to or classified as organochlorine compound .  It is also related to or classified as primary arylamine . It is also related to or classified as pyridazines, heteroaryl hydroxy compound.
The molecule <smiles>CC(C)(C)Nc1nc(N)nc(O)n1</smiles> is A diamino-1,3,5-triazine that is 1,3,5-triazin-2-ol substituted by an amino group at position 4 and a tert-butylamino group at position 6. It is metabolite of the herbicide terbutylazine. It has the role of marine xenobiotic metabolite. It is also related to or classified as diamino-1,3,5-triazine, heteroaryl hydroxy compound.
The molecule <smiles>OC(=O)C(C1CCCCN1)c1ccccc1</smiles> is A monocarboxylic acid that is phenylacetic acid substituted by a piperidin-2-yl group at position 2. It is a metabolite of the drug methylphenidate. It has the role of drug metabolite. It has the role of marine xenobiotic metabolite. It is also related to or classified as monocarboxylic acid, piperidines.
The molecule <smiles>COc1cc(OC)nc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)n1</smiles> is A sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a 4,6-dimethoxy-pyrimidin-2-yl group at the nitrogen atom. It is a metabolite of the sulfonamide antibiotic sulfadimethoxine. It has the role of marine xenobiotic metabolite.  It is also related to or classified as sulfonamide . It is also related to or classified as acetamides, pyrimidines.
The molecule <smiles>OC[C@H]1OC(n2ccc(=O)[nH]c2=O)C(F)(F)[C@@H]1O</smiles> is A pyrimidine 2'-deoxyribonucleoside that is uridine in which the hydroxy group at position 2' has been replaced by two fluoro substituents. It is a metabolite of the drug gemcitabine. It has the role of marine xenobiotic metabolite.  It is also related to or classified as organofluorine compound . It is also related to or classified as pyrimidine 2'-deoxyribonucleoside.
The molecule <smiles>CC(C)N(C(=O)CS(O)(=O)=O)c1ccccc1</smiles> is an organosulfonic acid that is 2-oxoethanesulfonic acid substituted by a phenyl(propan-2-yl)amino group at position 2. It is a metabolite of the herbicide propachlor. It has the role of marine xenobiotic metabolite. It is also related to or classified as anilide . It is also related to or classified as organosulfonic acid .
The molecule <smiles>Nc1c(SC(F)(F)F)c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N</smiles> is A member of the class of pyrazoles that is 1H-pyrazole that is substituted at positions 1, 3, 4, and 5 by 2,6-dichloro-4-(trifluoromethyl)phenyl, cyano, (trifluoromethyl)sulfanyl, and amino groups, respectively. It is a metabolite of the agrochemical fipronil. It has the role of marine xenobiotic metabolite. It is also related to or classified as organic sulfide . It is also related to or classified as nitrile . It is also related to or classified as dichlorobenzene . It is also related to or classified as pyrazoles, (trifluoromethyl)benzenes.
The molecule <smiles>Cc1cccc(C)c1N(Cn1cccn1)C(=O)CS(O)(=O)=O</smiles> is an organosulfonic acid that is 2-oxoethanesulfonic acid substituted by a (2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino group at position 2. It is metabolite of the herbicide metazachlor. It has the role of marine xenobiotic metabolite.  It is also related to or classified as organosulfonic acid . It is also related to or classified as pyrazoles, aromatic amide.
The molecule <smiles>COCCN(C(=O)CS(O)(=O)=O)c1c(C)cccc1C</smiles> is an  organosulfonic acid that is 2-oxoethanesulfonic acid substituted by a (2,6-dimethylphenyl)(2-methoxyethyl)amino group at position 2. It is a metabolite of the herbicide dimethachlor. It has the role of marine xenobiotic metabolite. It is also related to or classified as ether . It is also related to or classified as organosulfonic acid . It is also related to or classified as aromatic amide.
The molecule <smiles>C(C(C(C(C(O)=O)(F)F)(F)F)(F)F)(F)(F)F</smiles> is A monocarboxylic acid that is perfluorinated pentanoic acid. It has the role of xenobiotic. It has the role of environmental contaminant. Its functional parent is valeric acid. It is also related to or classified as fluoroalkanoic acid.
The molecule <smiles>COCCN(C(=O)C(O)=O)c1c(C)cccc1C</smiles> is A monocarboxylic acid that is oxoacetic acid substituted by a (2,6-dimethylphenyl)(2-methoxyethyl)amino group at position 2. It has the role of marine xenobiotic metabolite.  It is also related to or classified as ether . It is also related to or classified as monocarboxylic acid, aromatic amide.
The molecule <smiles>CN[C@H]1[C@@H](C)O[C@@H](O[C@@H]2[C@@H](O)c3cc4C(=O)c5c(O)cc(OC)cc5C(=O)c4c(O)c3-c3c(O)c(C(=O)N[C@H](C)C(O)=O)c(C)cc23)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O</smiles> is A member of the class of pradimicins that is isolated from the cultured broth of Actinomadura hibisca No. P157-2 (ATCC 53557). Its functional parent is D-alanine.   It is also related to or classified as carboxylic acid .  It is also related to or classified as secondary alcohol . It is also related to or classified as p-quinones, polyphenol, aromatic ether, disaccharide derivative, pradimicin, L-alanine derivative.
The molecule <smiles>CCNc1nc(O)nc(NCC)n1</smiles> is A diamino-1,3,5-triazine that is N,N'-diethyl-1,3,5-triazine-2,4-diamine substituted by a hydroxy group at position 2. It is a metabolite of the herbicide simazine. It has the role of marine xenobiotic metabolite. It is also related to or classified as diamino-1,3,5-triazine, heteroaryl hydroxy compound.
The molecule <smiles>Cn1ncc(N)c(Cl)c1=O</smiles> is A pyridazinone that is pyridazin-3(2H)-one substituted by an amino group at position 5, a chloro group at position 4 and a methyl group at position 2. It is a metabolite of the herbicide chloridazone.jfuyklriltoil. It has the role of marine xenobiotic metabolite.  It is also related to or classified as organochlorine compound . It is also related to or classified as primary arylamine . It is also related to or classified as pyridazinone.
The molecule <smiles>Nc1c(c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N)C(F)(F)F</smiles> is A member of the class of pyrazoles that is 1H-pyrazole that is substituted at positions 1, 3, 4, and 5 by 2,6-dichloro-4-(trifluoromethyl)phenyl, cyano, trifluoromethyl, and amino groups, respectively. It has the role of marine xenobiotic metabolite. It is also related to or classified as nitrile . It is also related to or classified as dichlorobenzene . It is also related to or classified as pyrazoles, (trifluoromethyl)benzenes.
The molecule <smiles>OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</smiles> is A fluoroalkanoic acid that is perfluorinated undecanoic acid. It has the role of xenobiotic. It has the role of environmental contaminant. Its functional parent is undecanoic acid. It is also related to or classified as fluoroalkanoic acid.
The molecule <smiles>CNC(NCCSCc1ccc(CN(C)(C)=O)o1)=C[N+]([O-])=O</smiles> is A N-oxide derivative of ranitidine. It has the role of drug metabolite. It has the role of marine xenobiotic metabolite.  It is also related to or classified as N-oxide . It is also related to or classified as furans, C-nitro compound.
The molecule <smiles>Cc1cccc(C)c1N(Cn1cccn1)C(=O)C(O)=O</smiles> is A monocarboxylic acid that is oxoacetic acid substituted by a (2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino group at position 2. It is metabolite of the herbicide metazachlor. It has the role of marine xenobiotic metabolite. It is also related to or classified as monocarboxylic acid, pyrazoles, aromatic amide.
The molecule <smiles>Nc1nc(=O)n(cc1CO)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O1</smiles> is A pyrimidine 2'-deoxyribonucleoside 5'-diphosphate that is 2'-deoxycytidine 5'-diphosphate (CDP) substituted by a hydroxymethyl group at position 5. Its functional parent is CDP. It is also related to or classified as pyrimidine 2'-deoxyribonucleoside 5'-diphosphate.
The molecule <smiles>OC(=O)C=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</smiles> is A fluorotelomer that is dec-2-enoic acid substituted by fluoro groups at positions 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10 and 10 respectively. It has the role of xenobiotic. It has the role of persistent organic pollutant. It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid, fluorotelomer.
The molecule <smiles>C(C(C(F)(F)F)(F)F)(C(C(C(=C(C(O)=O)[H])F)(F)F)(F)F)(F)F</smiles> is A fluorotelomer that is oct-2-enoic acid substituted by fluoro groups at positions 3, 4, 4, 5, 5,6, 6, 7, 7, 8, 8 and 8 respectively. It has the role of xenobiotic. It has the role of persistent organic pollutant. It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid, fluorotelomer.
The molecule <smiles>CO\C=C(\C(O)=O)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1</smiles> is an aryloxypyrimidine having a 4,6-diphenoxypyrimidine skeleton in which one of the phenyl rings is cyano-substituted at C-2 and the other carries a 1-carboxy-2-methoxyethenyl substituent, also at C-2. It is a metabolite of the fungicidal agrochemical azoxystrobin. It has the role of marine xenobiotic metabolite. It is also related to or classified as nitrile . It is also related to or classified as enol ether . It is also related to or classified as aryloxypyrimidine, aromatic ether.
The molecule <smiles>OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</smiles> is A monocarboxylic acid that is perfluorinated hexanoic acid. It has the role of xenobiotic. It has the role of environmental contaminant. Its functional parent is hexanoic acid. It is also related to or classified as fluoroalkanoic acid.
The molecule <smiles>Nc1c(c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N)S(=O)(=O)C(F)(F)F</smiles> is A member of the class of pyrazoles that is 1H-pyrazole that is substituted at positions 1, 3, 4, and 5 by 2,6-dichloro-4-(trifluoromethyl)phenyl, cyano, (trifluoromethyl)sulfonyl, and amino groups, respectively. It is a metabolite of the agrochemical fipronil. It has the role of marine xenobiotic metabolite. It is also related to or classified as nitrile . It is also related to or classified as dichlorobenzene .  It is also related to or classified as sulfone . It is also related to or classified as pyrazoles, (trifluoromethyl)benzenes.
The molecule <smiles>OC(=O)C(N1CCc2sccc2C1)c1ccccc1Cl</smiles> is A thienopyridine that is 6,7-dihydrothieno[3,2-c]pyridin-5(4H)-ylacetic acid substituted by a 2-chlorophenyl group at position 2. It is a metabolite of the drug  clopidogrel. It has the role of drug metabolite. It has the role of marine xenobiotic metabolite. It is also related to or classified as monocarboxylic acid, thienopyridine, tertiary amino compound, monochlorobenzenes.
The molecule <smiles>COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NCCC(C)(C)C</smiles> is A dipeptide composed of N-(3,3-dimethylbutyl)-L-aspartic acid and methyl L-phenylalanate units joined by a peptide linkage. It has the role of xenobiotic. It has the role of sweetening agent. It has the role of environmental contaminant. It is also related to or classified as dipeptide .
The molecule <smiles>CN(CC(O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</smiles> is A sulfonamide that is the N-methyl derivative of perfluorooctane sulfonamidoacetic acid. It has the role of xenobiotic. It has the role of environmental contaminant.  It is also related to or classified as sulfonamide . It is also related to or classified as organofluorine compound . It is also related to or classified as monocarboxylic acid.
The molecule <smiles>CCN(CC(O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</smiles> is A sulfonamide that is the N-ethyl derivative of perfluorooctane sulfonamidoacetic acid. It has the role of xenobiotic. It has the role of environmental contaminant.  It is also related to or classified as sulfonamide . It is also related to or classified as organofluorine compound . It is also related to or classified as monocarboxylic acid.
The molecule <smiles>OP(O)(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</smiles> is A monoalkyl phosphate that is 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol in which the hydroxyl hydrogen is substituted by a phosphate group. It has the role of xenobiotic. It has the role of environmental contaminant.  It is also related to or classified as organofluorine compound . It is also related to or classified as monoalkyl phosphate.
The molecule <smiles>CCc1cccc(C)c1N1C(C)COCC1=O</smiles> is A member of the class of  morpholines that is morpholin-3-one substituted by a 2-ethyl-6-methylphenyl group at position 4 and a methyl group at position 5. It is a metabolite of metolachlor. It has the role of marine xenobiotic metabolite.  It is also related to or classified as delta-lactam . It is also related to or classified as morpholines.
The molecule <smiles>COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cc(NC=O)ccc2C(=O)N(C)C)n1</smiles> is A member of the class of  benzamides that is N,N-dimethylbenzamide substituted by a formylamino group at position 4 and a [(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl group at position 2. It has the role of herbicide. It has the role of xenobiotic. It has the role of environmental contaminant.  It is also related to or classified as sulfonamide . It is also related to or classified as benzamides, aromatic ether, pyrimidines, ureas.
The molecule <smiles>CC1(C)C(=O)Oc2ccc(OS(C)(=O)=O)cc12</smiles> is A methanesulfonate ester that is methanesulfonic acid in which the hydrogen of the hydroxy group has been replaced by a 3,3-dimethyl-2-oxo-2,3-dihydro-1-benzofuran-5-yl group. It is a metabolite of the herbicide ethofumesate. It has the role of marine xenobiotic metabolite. It is also related to or classified as methanesulfonate ester . It is also related to or classified as gamma-lactone . It is also related to or classified as 1-benzofurans.
The molecule <smiles>CNC(NCCS(=O)Cc1ccc(CN(C)C)o1)=C[N+]([O-])=O</smiles> is A sulfoxide derivative of the drug ranitidine. It has the role of drug metabolite. It has the role of marine xenobiotic metabolite. It is also related to or classified as sulfoxide . It is also related to or classified as furans, C-nitro compound, tertiary amino compound.
The molecule <smiles>CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O</smiles> is A member of the class of  pyrazoles that is antipyrine substituted by an acetylamino group at position 4. It is a drug metabolite of metamizole. It has the role of drug metabolite. It has the role of marine xenobiotic metabolite. Its functional parent is antipyrine. It is also related to or classified as acetamides, pyrazoles.
The molecule <smiles>COc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)nc(n1)C(F)(F)F</smiles> is A sulfonamide  that is benzenesulfonamide substituted by a trifluoromethyl group at position 2 and a [4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoyl group at the nitrogen atom. It has the role of herbicide. It has the role of xenobiotic. It has the role of environmental contaminant.  It is also related to or classified as N-sulfonylurea . It is also related to or classified as methoxy-1,3,5-triazine, (trifluoromethyl)benzenes.
The molecule <smiles>COc1cc(O)c2C(=O)c3cc4[C@H](O)[C@@H](O[C@@H]5O[C@H](C)[C@H](N)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)c5cc(C)c(C(=O)N[C@H](C)C(O)=O)c(O)c5-c4c(O)c3C(=O)c2c1</smiles> is A member of the class of pradimicins that is isolated from the cultured broth of Actinomadura hibisca No. P157-2 (ATCC 53557). Its functional parent is D-alanine. It is also related to or classified as polyketide .   It is also related to or classified as secondary alcohol . It is also related to or classified as polyphenol, aromatic ether, disaccharide derivative, pradimicin, L-alanine derivative.
The molecule <smiles>CN[C@H]1[C@@H](C)O[C@@H](O[C@@H]2[C@@H](O)c3cc4C(=O)c5c(O)cc(OC)cc5C(=O)c4c(O)c3-c3c(O)c(C(=O)N[C@H](C)C(O)=O)c(C)cc23)[C@H](O)[C@H]1O</smiles> is A member of the class of prodimicins that is isolated from the cultured broth of Actinomadura hibisca No. P157-2 (ATCC 53557). Its functional parent is D-alanine. It is also related to or classified as polyketide .   It is also related to or classified as secondary alcohol . It is also related to or classified as polyphenol, aromatic ether, monosaccharide derivative, pradimicin, L-alanine derivative.
The molecule <smiles>COC(=O)c1ccccc1S(N)(=O)=O</smiles> is A benzoate ester that is methyl benzoate substituted by a sulfamoyl group at position 2. It is a metabolite of the herbicide metsulfuron-methyl. It has the role of marine xenobiotic metabolite. It is also related to or classified as methyl ester . It is also related to or classified as sulfonamide . It is also related to or classified as benzoate ester.
The molecule <smiles>COc1nc(C)nc(N)n1</smiles> is A monoamino-1,3,5-triazine that is 1,3,5-triazin-2-amine substituted by a methoxy group at position 4 and a methyl group at position 6. It is a metabolite of the herbicide thifensulfuron-methyl. It has the role of marine xenobiotic metabolite. It is also related to or classified as aromatic ether, monoamino-1,3,5-triazine.
The molecule <smiles>OC(=O)CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</smiles> is A monocarboxylic acid that is (sulfoamino)acetic acid substituted by a heptadecafluorooctyl group at the sulfur atom. It has the role of xenobiotic. It has the role of environmental contaminant. Its functional parent is perfluorooctanesulfonamide. Its functional parent is perfluorooctane-1-sulfonic acid.  It is also related to or classified as sulfonamide . It is also related to or classified as organofluorine compound . It is also related to or classified as monocarboxylic acid.
The molecule <smiles>CC(C)c1ccc(NC(N)=O)cc1</smiles> is A member of the class of phenylureas that is urea substituted by a p-cumenyl group at position 1. It is a metabolite of the herbicide isoproturon. It has the role of marine xenobiotic metabolite. It is also related to or classified as phenylureas.
The molecule <smiles>CCOCCN(C(=O)CCl)C(=C(C)C)c1ccccc1</smiles> is A monocarboxylic acid amide that is acetamide substituted by a chloro group at position 2 and a  2-ethoxyethyl and a 2-methyl-1-phenylprop-1-en-1-yl at the nitrogen atom. It is an agrochemical used as a herbicide. It has the role of herbicide. It has the role of agrochemical. It has the role of xenobiotic. It has the role of environmental contaminant. It is also related to or classified as ether . It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as organochlorine compound . It is also related to or classified as olefinic compound.