anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(C)CNC(=O)CCCCCC\C=C\c1ccc2OCOc2c1 CC(C)CNC(=O)CCCCCC\C=C\c1ccc2OCOc2c1 is (8E)-N-isobutyl-9-(3,4-methylenedioxyphenyl)nona-8-enamide. It has the role of metabolite . It is also related to or classified as benzodioxoles .
The molecule C1OC2=C(O1)C=C(C=C2)C(=O)NN=CC3=CC(=CC=C3)OC(=O)C4=CC=CO4 C1OC2=C(O1)C=C(C=C2)C(=O)NN=CC3=CC(=CC=C3)OC(=O)C4=CC=CO4 is 2-furancarboxylic acid [3-[[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazinylidene]methyl]phenyl] ester. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule NC(=O)C(CC[NH+]1CCCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1 NC(=O)C(CC[NH+]1CCCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1 is A tertiary ammonium ion that is the conjugate acid of buzepide, resulting from the protonation of the azepane tertiary amino group. Major microspecies at pH 7.3. It is a conjugate acid of buzepide . It is also related to or classified as tertiary ammonium ion  .
The molecule S(=O)(=O)(C1=CC=C(C=C1)NC(C)=O)C2=CC=C(C=C2)NC(C)=O S(=O)(=O)(C1=CC=C(C=C1)NC(C)=O)C2=CC=C(C=C2)NC(C)=O is A sulfone that is dapsone in which both of the amino groups been acetylation. An antimicrobial drug, it also has antimalarial activity. It has the role of antimicrobial drug . It has the role of antimalarial . Its functional parent is dapsone . It is also related to or classified as anilide  . It is also related to or classified as secondary carboxamide  .  It is also related to or classified as sulfone  . It is also related to or classified as acetamides .
The molecule O[C@H]1CN(CC[C@H]([NH2+]CC[C@H](O)C([O-])=O)C([O-])=O)[C@@H]1C([O-])=O O[C@H]1CN(CC[C@H]([NH2+]CC[C@H](O)C([O-])=O)C([O-])=O)[C@@H]1C([O-])=O is conjugate base of 3-epi-3-hydroxy-2'-deoxymugineic acid. It is also related to or classified as tricarboxylic acid dianion .
The molecule Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)O[Se](O)(=O)=O)[C@@H](OP(O)(O)=O)[C@H]1O Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)O[Se](O)(=O)=O)[C@@H](OP(O)(O)=O)[C@H]1O is an organoselenium compound that is adenylyl selenate with the hydroxy at position 3' replaced by a phosphate group. It has the role of mouse metabolite . Its functional parent is adenosine . It is also related to or classified as adenosine bisphosphate , organoselenium compound .
The molecule Oc1cc(ccc1[N+]([O-])=O)[N+]([O-])=O Oc1cc(ccc1[N+]([O-])=O)[N+]([O-])=O is A dinitrophenol having the nitro groups at the 2- and 5-positions. It is also related to or classified as dinitrophenol  .
The molecule O[C@H]1CN(CC[C@H](NCC[C@H](O)C(O)=O)C(O)=O)[C@@H]1C(O)=O O[C@H]1CN(CC[C@H](NCC[C@H](O)C(O)=O)C(O)=O)[C@@H]1C(O)=O is 3-epi-3-hydroxy-2'-deoxymugineic acid. Its functional parent is mugineic acid . It is a conjugate acid of 3-epi-3-hydroxy-2'-deoxymugineate . It is also related to or classified as mugineic acids .
The molecule CC[NH+]1CCC(C1C)=C1C2=CC=CC=C2CCC2=CC=CC=C12 CC[NH+]1CCC(C1C)=C1C2=CC=CC=C2CCC2=CC=CC=C12 is A tertiary ammonium ion that is the conjugate acid of piroheptine, arising from the protonation of the pyrrolidine nitrogen. Major microspecies at pH 7.3. It is a conjugate acid of piroheptine . It is also related to or classified as tertiary ammonium ion  .
The molecule OC(=O)[C@H](CCN1CC[C@H]1C(O)=O)NCCC(=O)C(O)=O OC(=O)[C@H](CCN1CC[C@H]1C(O)=O)NCCC(=O)C(O)=O is 3''-deamino-3''-oxonicotianamine. It is a conjugate acid of 3''-deamino-3''-oxonicotianaminium(1-) . It is also related to or classified as mugineic acids .
The molecule O1[C@@]2([C@]3([C@@]4([C@]([C@]5([C@@]([C@@]6([C@@](CC5)(C[C@H](OC(=O)C)CC6)[H])C)([C@@H](O)C4)[H])[H])(C2)[H])C(O[C@]3(C17OC([C@H](C7)C)(C)C)C)=O)[H])[H] O1[C@@]2([C@]3([C@@]4([C@]([C@]5([C@@]([C@@]6([C@@](CC5)(C[C@H](OC(=O)C)CC6)[H])C)([C@@H](O)C4)[H])[H])(C2)[H])C(O[C@]3(C17OC([C@H](C7)C)(C)C)C)=O)[H])[H] is Hippuristanacetal. It is also related to or classified as steroid  . It is also related to or classified as oxaspiro compound .
The molecule C(NCC1N(CC=C)CCC1)(=O)C2=C(OC)C=C(C(=C2)S(NC)(=O)=O)N C(NCC1N(CC=C)CCC1)(=O)C2=C(OC)C=C(C(=C2)S(NC)(=O)=O)N is alpiropride.  It is also related to or classified as sulfonamide  . It is also related to or classified as benzenes .
The molecule OC(=O)C[C@@H](N)CCCCCCC OC(=O)C[C@@H](N)CCCCCCC is 3S-aminodecanoic acid. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C=1N=CC=CC1C(=O)OC(C(O[C@]2(CC(C[C@](C2)(C)[H])(C)C)[H])=O)(C3=CC=CC=C3)[H] C=1N=CC=CC1C(=O)OC(C(O[C@]2(CC(C[C@](C2)(C)[H])(C)C)[H])=O)(C3=CC=CC=C3)[H] is micinicate. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .
The molecule O[C@@H](CN1C[C@@H](O)[C@H]1C(O)=O)[C@H](NCC[C@H](O)C(O)=O)C(O)=O O[C@@H](CN1C[C@@H](O)[C@H]1C(O)=O)[C@H](NCC[C@H](O)C(O)=O)C(O)=O is A mugineic acid derivative consisting of mugineic acid having hydroxy group at the 3-position. Its functional parent is mugineic acid . It is also related to or classified as mugineic acids .
The molecule C(O)(=O)C=1C=C(N2C3=C(C=C2C4=CC=CC=C4)C=5C(CC3)=CC=CC5)C=CC1O C(O)(=O)C=1C=C(N2C3=C(C=C2C4=CC=CC=C4)C=5C(CC3)=CC=CC5)C=CC1O is A benzoindole that is 4,5-dihydro-3H-benzo[e]indole in which the nitrogen is substituted by a 3-carboxy-4-hydroxyphenyl group. A non-narcotic analgesic and non-steroidal anti-inflammatory drug, it has greater analgesic and inflammatory responses than aspirin but with less gastrointestinal toxicity. It has the role of non-steroidal anti-inflammatory drug . It has the role of non-narcotic analgesic . It is also related to or classified as monohydroxybenzoic acid , pyrroles , benzoindole .
The molecule O1C(CC(=O)C2=C1C=CC(=C2N)C(=O)CC(NC(=O)C)COC(=O)CCCCCCCC/C=C/C=C/CCCCC)(C)C O1C(CC(=O)C2=C1C=CC(=C2N)C(=O)CC(NC(=O)C)COC(=O)CCCCCCCC/C=C/C=C/CCCCC)(C)C is 3'-N-Acetyl-4'-O-(10,12-octadecadienoyl)fusarochromanone. It is also related to or classified as secondary carboxamide  . It is also related to or classified as carboxylic ester  .
The molecule OC1=C2C3(C(C(OC2=CC(=C1)C(CCCCCC)(C)C)(C)C)(CCC(C3)=O)[H])[H] OC1=C2C3(C(C(OC2=CC(=C1)C(CCCCCC)(C)C)(C)C)(CCC(C3)=O)[H])[H] is nabilone. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C\C(C([O-])=O)=C(/CC([O-])=O)C([O-])=O C\C(C([O-])=O)=C(/CC([O-])=O)C([O-])=O is tricarboxylate anion of (2Z)-but-2-ene-1,2,3-tricarboxylic acid; major species at pH 7.3. It has the role of human metabolite . It is also related to or classified as tricarboxylic acid trianion .
The molecule C(CCN1CCN(CC1)CCO)N2C3=C(SC=4C2=NC=CC4)C=CC=C3 C(CCN1CCN(CC1)CCO)N2C3=C(SC=4C2=NC=CC4)C=CC=C3 is oxypendyl. It is also related to or classified as aromatic amine , tertiary amino compound .
The molecule OCC1(CC(O)=O)CCCCC1 OCC1(CC(O)=O)CCCCC1 is A hydroxy monocarboxylic acid that is cyclohexane substituted by a hydroxymethyl and carboxymethyl groups at position 1. It has the role of central nervous system stimulant . It is a conjugate acid of hexacyclonate . It is also related to or classified as hydroxy monocarboxylic acid .
The molecule S(=O)(=O)(C1=C(S(NC(C)=O)(=O)=O)C=C(C=C1)N)C2=CC=C(C=C2)N S(=O)(=O)(C1=C(S(NC(C)=O)(=O)=O)C=C(C=C1)N)C2=CC=C(C=C2)N is sulfadiasulfone.  It is also related to or classified as sulfonamide  . It is also related to or classified as benzenes .
The molecule S(CC1=C(C)C(OC)=CC=N1)(=O)C2=NC3=C(N2)C=CC(=C3)N4C=CC=C4 S(CC1=C(C)C(OC)=CC=N1)(=O)C2=NC3=C(N2)C=CC(=C3)N4C=CC=C4 is ilaprazole. It is also related to or classified as sulfoxide  . It is also related to or classified as benzimidazoles .
The molecule Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O is 5-fluorocytidine.  It is also related to or classified as organofluorine compound  . It is also related to or classified as cytidines .
The molecule [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)(C)O [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)(C)O is A 25-hydroxy steroid that is 3-oxocholestane which carries a hydroxy group at position 25. Its functional parent is 3-oxocholestane . It is also related to or classified as ketocholestane , 25-hydroxy steroid .
The molecule CC(C)c1c(C)n(C)n(-c2ccccc2)c1=O CC(C)c1c(C)n(C)n(-c2ccccc2)c1=O is A pyrazolone derivative that is antipyrine substituted at C-4 by an isopropyl group. It has the role of non-steroidal anti-inflammatory drug . It has the role of non-narcotic analgesic . It has the role of peripheral nervous system drug . Its functional parent is antipyrine . It is also related to or classified as pyrazolone .
The molecule OCC[C@H](NCC[C@H](NCC[C@H](O)C(O)=O)C(O)=O)C(O)=O OCC[C@H](NCC[C@H](NCC[C@H](O)C(O)=O)C(O)=O)C(O)=O is (S,S,S)-avenic acid A. It has the role of phytosiderophore . It is also related to or classified as avenic acid A  .
The molecule CO[C@@H]1[C@@H](CO)O[C@H]([C@H](O)[C@H]1O)n1c2c(Cl)cccc2c2c3C(=O)NC(=O)c3c3c4cccc(Cl)c4[nH]c3c12 CO[C@@H]1[C@@H](CO)O[C@H]([C@H](O)[C@H]1O)n1c2c(Cl)cccc2c2c3C(=O)NC(=O)c3c3c4cccc(Cl)c4[nH]c3c12 is an N-glycosyl compound consisting of a heteropolycyclic ring system with a glucosyl group attached to one of the indolic nitrogens. It is also related to or classified as N-glycosyl compound  . It is also related to or classified as organochlorine compound  . It is also related to or classified as organic heterohexacyclic compound , indolocarbazole .
The molecule C[C@@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@H](CC4)OC=5CCCC5)[H])(CCC1=CC(C=C2)=O)[H])[H] C[C@@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@H](CC4)OC=5CCCC5)[H])(CCC1=CC(C=C2)=O)[H])[H] is quinbolone. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule FC1=CC2=C(C=C1)C(=CN2)C1=CCN(CCN2C3=CC=CC4=C3N(CCC4)S2(=O)=O)CC1 FC1=CC2=C(C=C1)C(=CN2)C1=CCN(CCN2C3=CC=CC4=C3N(CCC4)S2(=O)=O)CC1 is A fluoroindole that is 1H-indole in which the hydrogens at positions 3 and 6 are replaced by 1-[2-(2,2-dioxo-5,6-dihydro-4H-2lambda(6)-[1,2,5]thiadiazolo[4,3,2-ij]quinolin-1(2H)-yl)ethyl]-1,2,3,6-tetrahydropyridin-4-yl and fluoro groups, respectively. It is an inhibitor of the 5-hydroxytryptamine transporter (Ki = 2.3 nM) and an antagonist of 5-hydroxytryptamine(2A) receptor (Ki = 0.81 nM). It has the role of geroprotector . It has the role of antidepressant . It has the role of serotonergic antagonist . It has the role of serotonin uptake inhibitor .   It is also related to or classified as dihydropyridine  . It is also related to or classified as fluoroindole , thiadiazoloquinoline , tertiary amino compound .
The molecule [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO is the L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate. It has the role of geroprotector . It has the role of coenzyme . It has the role of cofactor . It has the role of flour treatment agent . It has the role of plant metabolite . It has the role of food antioxidant . It has the role of food colour retention agent . It has the role of skin lightening agent . It is a conjugate acid of L-ascorbate . It is also related to or classified as vitamin C , ascorbic acid .
The molecule C(NC1=CC=C(C=C1)Cl)(NC2=CC=C(C(=C2)C(F)(F)F)Cl)=O C(NC1=CC=C(C=C1)Cl)(NC2=CC=C(C(=C2)C(F)(F)F)Cl)=O is A phenylurea that is urea substituted by 4-chlorophenyl and 4-chloro-3-trifluoromethylphenyl groups at positions 1 and 3 respectively. It is often used in deodarants and soaps on account of its anbacterial properties. It has the role of antibacterial agent . It is also related to or classified as phenylureas , monochlorobenzenes .
The molecule FC1=CC=C(C=C1)C(=O)C1CC[NH+](CCN2C(=O)NC3=CC=CC=C3C2=O)CC1 FC1=CC=C(C=C1)C(=O)C1CC[NH+](CCN2C(=O)NC3=CC=CC=C3C2=O)CC1 is A piperidinium ion obtained by protonation of the piperidine nitrogen of ketanserin; major microspecies at pH 7.3. It is a conjugate acid of ketanserin . It is also related to or classified as piperidinium ion .
The molecule [H][C@@]12CC(=O)N1[C@@H](C(=O)OCOC(=O)C(C)(C)C)C(C)(C)S2(=O)=O [H][C@@]12CC(=O)N1[C@@H](C(=O)OCOC(=O)C(C)(C)C)C(C)(C)S2(=O)=O is A penicillanic acid ester that results from the formal condensation of the carboxy group of sulbactam with the hydroxy group of hydroxymethyl 2,2-dimethylpropanoate. It is a prodrug of the beta-lactamase inhibitor sulbactam. It has the role of prodrug . It is also related to or classified as pivaloyloxymethyl ester  . It is also related to or classified as penicillanic acid ester .
The molecule C=CCNC(=O)SCc1c[nH]c2ccccc12 C=CCNC(=O)SCc1c[nH]c2ccccc12 is brussalexin A. It is also related to or classified as indole phytoalexin , monothiocarbamic ester .
The molecule N(C(C)=O)C=1C=C(C=CC1O)[As]2SC(CS2)CO N(C(C)=O)C=1C=C(C=CC1O)[As]2SC(CS2)CO is arsthinol. It is also related to or classified as anilide  . It is also related to or classified as acetamides .
The molecule C[C@@]12[C@@]3([C@]([C@]4([C@@](C[C@H]3O)(C)[C@@](CC4)(C)O)[H])(CCC1=CC(C(=C2)C=O)=O)[H])[H] C[C@@]12[C@@]3([C@]([C@]4([C@@](C[C@H]3O)(C)[C@@](CC4)(C)O)[H])(CCC1=CC(C(=C2)C=O)=O)[H])[H] is formebolone. It has the role of androgen . It is also related to or classified as steroid aldehyde , 3-hydroxy steroid .
The molecule O[C@H]([C@@H](O)C(O)=O)C(O)=O.FC1=CC=C(C=C1)C(=O)C1CCN(CCN2C(=O)NC3=CC=CC=C3C2=O)CC1 O[C@H]([C@@H](O)C(O)=O)C(O)=O.FC1=CC=C(C=C1)C(=O)C1CCN(CCN2C(=O)NC3=CC=CC=C3C2=O)CC1 is the tartrate salt of ketanserin. It has the role of geroprotector . It has the role of cardiovascular drug . It has the role of antihypertensive agent . It has the role of alpha-adrenergic antagonist . It has the role of serotonergic antagonist . It is also related to or classified as tartrate salt .
The molecule S(NC1=CC=C(C=C1)S(NC)(=O)=O)(=O)(=O)C2=CC=C(C=C2)N S(NC1=CC=C(C=C1)S(NC)(=O)=O)(=O)(=O)C2=CC=C(C=C2)N is diseptal B.  It is also related to or classified as sulfonamide  . It is also related to or classified as benzenes .
The molecule [H][C@@]1(OC(=O)C(OP([O-])([O-])=O)=C1[O-])[C@@H](O)CO [H][C@@]1(OC(=O)C(OP([O-])([O-])=O)=C1[O-])[C@@H](O)CO is an organophosphate oxoanion that is the trianion formed from L-ascorbic acid 2-phosphate by deprotonation of the 3-hydroxy group and of both hydroxy groups of the phosphate function; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion , carbohydrate acid derivative anion .
The molecule [H][C@@]1(OC(=O)C(OP(O)(O)=O)=C1O)[C@@H](O)CO [H][C@@]1(OC(=O)C(OP(O)(O)=O)=C1O)[C@@H](O)CO is an aldonolactone phosphate that is the 2-phosphate ester of L-ascorbic acid. It can stimulate collagen formation. Its functional parent is L-ascorbic acid . It is a conjugate acid of L-ascorbate 2-phosphate(3-) . It is also related to or classified as aldonolactone phosphate .
The molecule S(=O)(=O)(O)C1=C(C=[N+](C(C)(C)C)[O-])C=CC(=C1)S(=O)(=O)O S(=O)(=O)(O)C1=C(C=[N+](C(C)(C)C)[O-])C=CC(=C1)S(=O)(=O)O is disufenton. It is also related to or classified as organosulfur compound , sulfonic acid derivative .
The molecule [I-].C[N+]1(CCC(C(N)=O)(C2=CC=CC=C2)C2=CC=CC=C2)CCCCCC1 [I-].C[N+]1(CCC(C(N)=O)(C2=CC=CC=C2)C2=CC=CC=C2)CCCCCC1 is an organic iodide salt of buzepide. It is a component of the antispasmodic drug vesadol. It has the role of cholinergic antagonist . It has the role of antispasmodic drug . It is also related to or classified as organic iodide salt .
The molecule Cc1ccc2C(=O)c3ccccc3C(=O)c2c1 Cc1ccc2C(=O)c3ccccc3C(=O)c2c1 is an anthraquinone that is 9,10-anthraquinone in which the hydrogen at position 2 is substituted by a methyl group. Its functional parent is 9,10-anthraquinone . It is also related to or classified as anthraquinone .
The molecule S(=O)(=O)(O)C1=CC(Br)=C(C(=C1)Br)O S(=O)(=O)(O)C1=CC(Br)=C(C(=C1)Br)O is dibromol. It is also related to or classified as organosulfur compound , sulfonic acid derivative .
The molecule O=C1O[C@H]2C[C@@H]([C@]13[C@@H](C[C@H]4C=C[C@H]5[C@@H]([C@H]4C3)C[C@@H](C)C5=O)C2)O O=C1O[C@H]2C[C@@H]([C@]13[C@@H](C[C@H]4C=C[C@H]5[C@@H]([C@H]4C3)C[C@@H](C)C5=O)C2)O is Neomacquarimicin. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C(C(NC=1SC=C(N1)C)=O)(C(OC(C)C)=O)=C2SCS2 C(C(NC=1SC=C(N1)C)=O)(C(OC(C)C)=O)=C2SCS2 is mivotilate. It is also related to or classified as secondary carboxamide  . It is also related to or classified as isopropyl ester  . It is also related to or classified as aromatic amide .
The molecule C(N(C)C)C1=C2C(C(=O)C(=C(O2)C3=CC=CC=C3)C)=CC=C1OC C(N(C)C)C1=C2C(C(=O)C(=C(O2)C3=CC=CC=C3)C)=CC=C1OC is dimefline. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule O([C@@H]1OC([C@@H](O)C(O)C1O)CO)[C@@H]2[C@H](OC=3C(C2O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4 O([C@@H]1OC([C@@H](O)C(O)C1O)CO)[C@@H]2[C@H](OC=3C(C2O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4 is Catechin-4-ol 3-O-beta-D-glycopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule OCC[C@@H](NCC[C@@H](NCC[C@@H](O)C(O)=O)C(O)=O)C(O)=O OCC[C@@H](NCC[C@@H](NCC[C@@H](O)C(O)=O)C(O)=O)C(O)=O is (R,R,R)-avenic acid A. It is also related to or classified as avenic acid A  .
The molecule C[C@@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@H](CC4)O)[H])(CCC1=C(Cl)C(CC2)=O)[H])[H] C[C@@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@H](CC4)O)[H])(CCC1=C(Cl)C(CC2)=O)[H])[H] is clostebol. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule C[C@@H]1[C@@]2([C@@]([C@@]3(C(C1)=CC(CC3)=O)C)(CC[C@]4([C@]2(CC[C@]4(C)O)[H])C)[H])[H] C[C@@H]1[C@@]2([C@@]([C@@]3(C(C1)=CC(CC3)=O)C)(CC[C@]4([C@]2(CC[C@]4(C)O)[H])C)[H])[H] is calusterone. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(CC3)=CC(CC4)=O)[H])[H])(CC(C2=CC)=O)[H] C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(CC3)=CC(CC4)=O)[H])[H])(CC(C2=CC)=O)[H] is guggulsterone. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule Fc1cccc(F)c1C(=O)NC(=O)Nc1ccc(CON=C(C2CC2)c2ccc(Cl)cc2)cc1 Fc1cccc(F)c1C(=O)NC(=O)Nc1ccc(CON=C(C2CC2)c2ccc(Cl)cc2)cc1 is flucycloxuron. It has the role of mite growth regulator .  It is also related to or classified as difluorobenzene  . It is also related to or classified as benzoylurea insecticide , cyclopropanes , monochlorobenzenes , phenylureas .
The molecule N(S(=O)(=O)C1=CC=C(C=C1)N)C=2SC(=NN2)C(C)(C)C N(S(=O)(=O)C1=CC=C(C=C1)N)C=2SC(=NN2)C(C)(C)C is glybuthiazol.  It is also related to or classified as sulfonamide  . It is also related to or classified as benzenes .
The molecule O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC2=C3C(OC(C3=O)=CC4=CC=C(O)C=C4)=C(C(O)=C2)C)C O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC2=C3C(OC(C3=O)=CC4=CC=C(O)C=C4)=C(C(O)=C2)C)C is 4,6,4'-Trihydroxy-7-methylaurone 4-rhamnoside. It is also related to or classified as glycoside  . It is also related to or classified as aurones  .
The molecule N(C(C(O)=O)=O)C1=C(Cl)C(NC(C(O)=O)=O)=CC(=C1)C#N N(C(C(O)=O)=O)C1=C(Cl)C(NC(C(O)=O)=O)=CC(=C1)C#N is lodoxamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule N[C@H](CCN[C@H](CCN1CC[C@H]1C(O)=O)C(O)=O)C(O)=O N[C@H](CCN[C@H](CCN1CC[C@H]1C(O)=O)C(O)=O)C(O)=O is (S,R,R)-nicotianamine. Its functional parent is (S)-azetidine-2-carboxylic acid . It is also related to or classified as nicotianamine  .
The molecule S(NC(NC1CCCCC1)=O)(=O)(=O)C2=CC(N)=C(C=C2)C S(NC(NC1CCCCC1)=O)(=O)(=O)C2=CC(N)=C(C=C2)C is metahexamide.  It is also related to or classified as sulfonamide  . It is also related to or classified as benzenes .
The molecule N[C@@H](CCN[C@@H](CCN1CC[C@@H]1C(O)=O)C(O)=O)C(O)=O N[C@@H](CCN[C@@H](CCN1CC[C@@H]1C(O)=O)C(O)=O)C(O)=O is (R,S,S)-nicotianamine. Its functional parent is (R)-azetidine-2-carboxylic acid . It is also related to or classified as nicotianamine  .
The molecule C(NCCN(CC)CC)(=O)C1=C(OCC=C)C=C(C=C1)Cl C(NCCN(CC)CC)(=O)C1=C(OCC=C)C=C(C=C1)Cl is alloclamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule C(C)[C@@]12[C@]([C@]3([C@](CC1)([C@@]4(C(CC3)=CC(CC4)=O)[H])[H])[H])(C=C[C@]2(C#C)O)[H] C(C)[C@@]12[C@]([C@]3([C@](CC1)([C@@]4(C(CC3)=CC(CC4)=O)[H])[H])[H])(C=C[C@]2(C#C)O)[H] is gestodene. It has the role of estrogen . It is also related to or classified as steroid  .
The molecule [C@H]([C@H]([C@@H](CBr)O)O)([C@H](CBr)O)O [C@H]([C@H]([C@@H](CBr)O)O)([C@H](CBr)O)O is mitolactol. It is also related to or classified as alcohol  . It is also related to or classified as organobromine compound  .
The molecule [O-]C(=O)[C@H](CC[NH+]1CC[C@H]1C([O-])=O)[NH2+]CCC(=O)C([O-])=O [O-]C(=O)[C@H](CC[NH+]1CC[C@H]1C([O-])=O)[NH2+]CCC(=O)C([O-])=O is conjugate base of 3''-deamino-3''-oxonicotianamine. It is also related to or classified as tricarboxylic acid anion .
The molecule O(C(C(C)C)=O)C1=C(OC(C(C)C)=O)C=C(C=C1)CCNC O(C(C(C)C)=O)C1=C(OC(C(C)C)=O)C=C(C=C1)CCNC is ibopamine. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule N(S(=O)(=O)C1=CC=C(C=C1)N)C=2N=C(CC)N=C(N2)CC N(S(=O)(=O)C1=CC=C(C=C1)N)C=2N=C(CC)N=C(N2)CC is sulfasymazine.  It is also related to or classified as sulfonamide  . It is also related to or classified as benzenes .
The molecule C(OC(C(O)=O)(C)C)C1=CC=C(C=C1)C2=CC=C(C=C2)Cl C(OC(C(O)=O)(C)C)C1=CC=C(C=C1)C2=CC=C(C=C2)Cl is clobuzarit.  It is also related to or classified as organochlorine compound  . It is also related to or classified as biphenyls .
The molecule COc1cc2ccc1Oc1cc(ccc1O)\C=C\C(=O)NCCCNCCCCNC(=O)\C=C\2 COc1cc2ccc1Oc1cc(ccc1O)\C=C\C(=O)NCCCNCCCCNC(=O)\C=C\2 is Codonocarpine. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C=CCCCCC=C C=CCCCCC=C is an alkadiene that is octane carrying two double bonds at positions 1 and 7. It is also related to or classified as alkadiene  .
The molecule C(NS(=O)(=O)C1=CC=C(C=C1)N)(=O)C2=CC(C)=C(C=C2)C C(NS(=O)(=O)C1=CC=C(C=C1)N)(=O)C2=CC(C)=C(C=C2)C is xyloylsulfamine.  It is also related to or classified as sulfonamide  . It is also related to or classified as benzenes .
The molecule C(OCCN(C)C)(C)(C1=CC=C(C=C1)Cl)C2=CC=CC=C2 C(OCCN(C)C)(C)(C1=CC=C(C=C1)Cl)C2=CC=CC=C2 is chlorphenoxamine. It has the role of anticoronaviral agent . It is also related to or classified as diarylmethane .
The molecule [Ni++].C1CNCCNCCCNCCNC1 [Ni++].C1CNCCNCCCNCCNC1 is (1,4,8,11-tetraazacyclotetradecane)nickel(2+).  It is also related to or classified as coronate  . It is also related to or classified as nickel coordination entity .
The molecule CC1=CC=CC=C1C(=O)NC1=CC(C)=C(C=C1)C(=O)NC1=CC=C(Cl)C=C1C(=O)CCC(O)=O CC1=CC=CC=C1C(=O)NC1=CC(C)=C(C=C1)C(=O)NC1=CC=C(Cl)C=C1C(=O)CCC(O)=O is A 4-oxo monocarboxylic acid that is 4-oxobutanoic acid substituted at position 4 with a 5-chloro-2-[2-methyl-4-(2-methylbenzamido)benzamido]phenyl group. An oxobutyric acid metabolite of the vasopressin V2-receptor antagonist tolvaptan. It has the role of drug metabolite . Its functional parent is tolvaptan .  It is also related to or classified as benzenedicarboxamide  . It is also related to or classified as 4-oxo monocarboxylic acid .
The molecule CCN1CCC(C1C)=C1C2=CC=CC=C2CCC2=CC=CC=C12 CCN1CCC(C1C)=C1C2=CC=CC=C2CCC2=CC=CC=C12 is piroheptine. It has the role of antiparkinson drug . It has the role of muscarinic antagonist . It is also related to or classified as carbotricyclic compound , N-alkylpyrrolidine .
The molecule S(OCC1OC(OC2OC(C(O)C(O)C2O)CO)(C(O)C1O)CO)(O)(=O)=O S(OCC1OC(OC2OC(C(O)C(O)C2O)CO)(C(O)C1O)CO)(O)(=O)=O is {[3,4-dihydroxy-5-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]methoxy}sulfonic acid. It is also related to or classified as carbohydrate sulfate , disaccharide derivative .
The molecule C[C@@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@H](CC4)O)[H])(CC[C@]1(CC(C=C2C)=O)[H])[H])[H] C[C@@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@H](CC4)O)[H])(CC[C@]1(CC(C=C2C)=O)[H])[H])[H] is methenolone. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .