mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>C1(=CC=C2C(=C1)C(=C3C(=N2)C=4N(C3)C(C5=C(C4)[C@](C(OC5)=O)(CC)O)=O)CC)OC(=O)N6CCC(CC6)N7CCCCC7</smiles> is A member of the class of pyranoindolizinoquinolines that is the carbamate ester obtained by formal condensation of the carboxy group of [1,4'-bipiperidine]-1'-carboxylic acid with the phenolic hydroxy group of (4S)-4,11-diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2- hydrochloride]quinoline-3,14-dione. Used (in the form of its hydrochloride salt trihydrate) in combination with fluorouracil and leucovorin, for the treatment of patients with metastatic adenocarcinoma of the pancreas after disease progression following gemcitabine-based therapy. It is converted via hydrolysis of the carbamate linkage to its active metabolite, SN-38, which is ~1000 times more active. It has the role of antineoplastic agent. It has the role of prodrug. It has the role of EC 5.99.1.2 (DNA topoisomerase) inhibitor. It has the role of apoptosis inducer. Its functional parent is SN-38. It is also related to or classified as delta-lactone .  It is also related to or classified as tertiary alcohol . It is also related to or classified as carbamate ester, ring assembly, N-acylpiperidine, pyranoindolizinoquinoline, tertiary amino compound.
The molecule <smiles>C1CCN(CC1)C1(CCCCC1)c1ccccc1</smiles> is A member of the class of piperidines that is piperidine in which the nitrogen is substituted with a 1-phenylcyclohexyl group.  Formerly used as an anaesthetic agent, it exhibits both hallucinogenic and neurotoxic effects. It has the role of psychotropic drug. It has the role of anaesthetic. It has the role of neurotoxin. It has the role of NMDA receptor antagonist. It is also related to or classified as benzenes, piperidines.
The molecule <smiles>CN(C)(=O)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1</smiles> is Citalopram N-oxide. It is also related to or classified as benzenes, organic amino compound.
The molecule <smiles>Fc1ccc(cc1)C1(CCC=O)OCc2cc(ccc12)C#N</smiles> is Citalopram aldehyde. It is also related to or classified as nitrile . It is also related to or classified as benzenes.
The molecule <smiles>Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O</smiles> is an alkyl caffeate ester in which 2-phenylethyl is the alkyl component. It has the role of antioxidant. It has the role of antiviral agent. It has the role of metabolite. It has the role of antibacterial agent. It has the role of antineoplastic agent. It has the role of immunomodulator. It has the role of neuroprotective agent. It has the role of anti-inflammatory agent. It is also related to or classified as alkyl caffeate ester .
The molecule <smiles>O=C1C(C(=O)c2ccccc12)c1ccccc1</smiles> is phenindione. It has the role of anticoagulant. It is also related to or classified as beta-diketone, aromatic ketone.
The molecule <smiles>CC1NCCOC1c1ccccc1</smiles> is A member of the class of morpholines that is morpholine substituted with a phenyl group at position 2 and a methyl group at position 3. It has the role of metabolite. It has the role of sympathomimetic agent. Its functional parent is morpholine. It is also related to or classified as morpholines.
The molecule <smiles>COc1cc2CC[C@H](N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC</smiles> is Deacetylcolchicine.  It is also related to or classified as alkaloid . It is also related to or classified as acetamides, carbotricyclic compound.
The molecule <smiles>C[C@H](N)[C@H](O)C1=CC=CC=C1</smiles> is an amphetamine that is propylbenzene substituted by a hydroxy group at position 1 and by an amino group at position 2 (the 1R,2S-stereoisomer). It is a plant alkaloid. It has the role of plant metabolite. It is also related to or classified as amphetamines, phenethylamine alkaloid.
The molecule <smiles>[Na+].CCC1(C(=O)NC([O-])=NC1=O)c1ccccc1</smiles> is A barbiturate that is the sodium salt of phenobarbital (barbituric acid substituted at C-5 by ethyl and phenyl groups). It is also related to or classified as barbiturates . It is also related to or classified as organic sodium salt.
The molecule <smiles>COc1cc2CC[C@H](N(C)C=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC</smiles> is N-Formyldemecolcine.  It is also related to or classified as alkaloid . It is also related to or classified as acetamides, carbotricyclic compound.
The molecule <smiles>NC(=O)OCC(O)(COC(N)=O)c1ccccc1</smiles> is 2-Hydroxyfelbamate.   It is also related to or classified as tertiary alcohol . It is also related to or classified as benzyl alcohols, carbamate ester.
The molecule <smiles>NC(=O)CC[C@H](NC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(O)=O</smiles> is A hexitol derivative that is D-mannitol in which the hydroxy group at position 1 is replaced by the alpha-amino group of L-glutamine. It is produced in crown gall tumours induced in a wide range of dicotyledenous plants by Agrobacterium tumefaciens. It has the role of plant metabolite. Its functional parent is D-mannitol. It is also related to or classified as L-glutamine derivative, dicarboxylic acid monoamide, secondary amino compound, hexitol derivative, amino acid opine, non-proteinogenic L-alpha-amino acid.
The molecule <smiles>C\C(\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C(/C)=C/C(O)=O</smiles> is A retinoid that consists of all-trans-retinoic acid bearing an oxo substituent at position 4 on the cyclohexenyl ring. It has the role of human xenobiotic metabolite. Its functional parent is all-trans-retinoic acid. It is also related to or classified as retinoid . It is also related to or classified as enone .
The molecule <smiles>Cc1cc(O)c2C(=O)C3=C(O)C4C(O)C5C6C(O)C(C(O)=C7C(=O)c8c(O)cc(C)cc8C(=O)C467)C35C(=O)c2c1</smiles> is Rugulosin. It is also related to or classified as cyclic ketone, organic polycyclic compound.
The molecule <smiles>C[C@@]1(O)C2=Nc3c(NC[C@H]2[C@H](C(=O)O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@]11C(=O)Nc2cc(Br)ccc12)[nH]c(=O)[nH]c3=O</smiles> is Neosurugatoxin. Its functional parent is delta-amino acid. It is also related to or classified as organonitrogen compound, organooxygen compound.
The molecule <smiles>[C@@]123O[C@]([C@H](C)CC1(C)C)(CC(O[C@@]([C@@H](C)O)(CC(OC(C2)[C@H](C)[C@](O3)([C@H](CC[C@@H](C=4C(=CC=C(C4)O)Br)OC)C)[H])=O)[H])=O)O</smiles> is the parent member of the class of aplysiatoxins. It is a cyanotoxin produced by several species of freshwater and marine cyanobacteria, as well as algae and molluscs. It has the role of carcinogenic agent. It has the role of protein kinase C agonist. It has the role of marine metabolite. It has the role of algal metabolite. It has the role of cyanotoxin. It is also related to or classified as ether .   It is also related to or classified as secondary alcohol . It is also related to or classified as organic heterotricyclic compound, bromophenol, cyclic hemiketal, spiroketal, aplysiatoxins.
The molecule <smiles>[C@@]123O[C@]([C@H](C)CC1(C)C)(CC(O[C@@]([C@@H](C)O)(CC(OC(C2)[C@H](C)[C@](O3)([C@H](CC[C@@H](C=4C(=CC(=C(C4)O)Br)Br)OC)C)[H])=O)[H])=O)O</smiles> is A member of the class of aplysiatoxins that has the structure of the parent aplysiatoxin, but is carrying an additional bromo substituent on the benzene ring at the position ortho to the phenolic hydroxy group. It is a cyanotoxin produced by several species of freshwater and marine cyanobacteria, as well as algae and molluscs. It has the role of carcinogenic agent. It has the role of marine metabolite. It has the role of cyanotoxin. It is also related to or classified as ether .   It is also related to or classified as secondary alcohol . It is also related to or classified as organic heterotricyclic compound, bromophenol, cyclic hemiketal, spiroketal, aplysiatoxins.
The molecule <smiles>COC(=O)C1=CCCNC1</smiles> is the methyl ester of guvacine. It has the role of muscarinic agonist. It has the role of plant metabolite. Its functional parent is guvacine. It is also related to or classified as methyl ester .    It is also related to or classified as enoate ester . It is also related to or classified as pyridine alkaloid, tetrahydropyridine, secondary amino compound, beta-amino acid ester, alpha,beta-unsaturated carboxylic ester.
The molecule <smiles>N1=CN=C2C(N1C)=NC(N(C2=O)C)=O</smiles> is A pyrimidotriazine that is 1,6-dimethyl-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine with oxo groups at positions 5 and 7. It has the role of toxin. It has the role of antibacterial agent. It has the role of antineoplastic agent. It has the role of apoptosis inducer. It has the role of virulence factor. It has the role of bacterial metabolite. It has the role of Wnt signalling inhibitor. Its functional parent is reumycin. It is also related to or classified as pyrimidotriazine, carbonyl compound.
The molecule <smiles>COc1c2C[C@@H](Oc2nc2ccccc12)C(C)(C)O</smiles> is Platydesmine. It is also related to or classified as organic heterotricyclic compound, organonitrogen heterocyclic compound, oxacycle.
The molecule <smiles>Cc1cc(O)c2C(=O)C3=C(O)C4C(O)C5C6C(O)C(C(O)=C7C(=O)c8c(O)cc(C)c(O)c8C(=O)C467)C35C(=O)c2c1O</smiles> is Luteoskyrin. It is also related to or classified as cyclic ketone, organic polycyclic compound.
The molecule <smiles>[H][C@@]12CCC(C)=C[C@@]1([H])[C@@H](CC=C2C)C(C)C</smiles> is A cadinene sesquiterpene that consists of 1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthalene having two methyl substituents at positions 1 and 4 (the 1S,4aS,8aS-configuration). It has the role of volatile oil component. It is also related to or classified as hexahydronaphthalenes, cadinene.
The molecule <smiles>NC(=O)OC[C@@H]1NC(=N)N2C[C@@H](OS(O)(=O)=O)C(O)(O)[C@@]22NC(=N)N[C@@H]12</smiles> is Gonyautoxin 2. It has the role of marine metabolite. It is also related to or classified as paralytic shellfish toxin . It is also related to or classified as organic heterotricyclic compound.
The molecule <smiles>NC(=O)n1c2ccccc2ccc2cc(=O)c(=O)cc12</smiles> is Carbamazepine-o-quinone.  It is also related to or classified as dibenzoazepine . It is also related to or classified as orthoquinones, ureas.
The molecule <smiles>COc1cc(ccc1O)C1Oc2ccc(cc2OC1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O</smiles> is A flavonolignan isolated from Silybum marianum. It has the role of plant metabolite. It is also related to or classified as guaiacols . It is also related to or classified as secondary alpha-hydroxy ketone . It is also related to or classified as polyphenol, flavonolignan.
The molecule <smiles>C1C[C@]2(CC[C@]1(C)O2)C(C)C</smiles> is an oxabicycloalkane consisting of p-menthane with an epoxy bridge across positions 1 and 4. It has the role of central nervous system depressant. It has the role of fumigant insecticide. It has the role of plant metabolite. It is also related to or classified as cineole, oxabicycloalkane.
The molecule <smiles>CC(=O)O[C@H]1[C@H]2O[C@]22[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1c1ccc(=O)oc1</smiles> is Cinobufagin. Its functional parent is bufanolide. It is also related to or classified as steroid lactone.
The molecule <smiles>CC(=O)O[C@H]1[C@H]2O[C@]22C3CC[C@]4(O)C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@H]1c1ccc(=O)oc1</smiles> is Cinobufotalin. Its functional parent is bufanolide. It is also related to or classified as steroid lactone.
The molecule <smiles>COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC</smiles> is Arctiin. It is also related to or classified as glycoside . It is also related to or classified as lignan .
The molecule <smiles>NC(=O)OC[C@H]1[C@@H]2NC(=N)N[C@]22N(C[C@@H](OS(O)(=O)=O)C2(O)O)C(=N)N1O</smiles> is Gonyautoxin 1. It has the role of marine metabolite. It is also related to or classified as paralytic shellfish toxin . It is also related to or classified as organic heterotricyclic compound.
The molecule <smiles>C[C@]12CC[C@H]3[C@@H](CCC4CCCC[C@]34C)[C@H]1CC[C@@H]2c1ccc(=O)oc1</smiles> is the simplest member of the class of  bufadienolides that is bufanolide with unsaturation at positions 20 and 22. It is also related to or classified as bufadienolides.
The molecule <smiles>Oc1c(C2CC(Cc3ccccc23)c2ccc(cc2)-c2ccccc2)c(=O)oc2ccccc12</smiles> is Difenacoum. It is also related to or classified as benzenes, naphthalenes, ring assembly.
The molecule <smiles>Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)c(O)c(O)cc2O1</smiles> is A tetrahydroxyflavanone that is  (S)-naringenin substituted by an additional hydroxy group at position 6. It has the role of plant metabolite. Its functional parent is (S)-naringenin. It is also related to or classified as 4'-hydroxyflavanones . It is also related to or classified as (2S)-flavan-4-one . It is also related to or classified as tetrahydroxyflavanone.
The molecule <smiles>CC(C)=C1C\C=C(C)\CC\C=C(C)\CC1=O</smiles> is A germacrane sesquiterpenoid that has formula C15H22O. It is a natural product found in traditional medicinal plants of the family Zingiberaceae. The compound exhibits a range of pharmacological activities including anti-inflammatory, anticancer, antiviral, anti-androgenic, antioxidant, antimicrobial, antifungal, neuroprotective and insecticidal activities. It has the role of autophagy inducer. It has the role of antifeedant. It has the role of antioxidant. It has the role of antiviral agent. It has the role of insecticide. It has the role of volatile oil component. It has the role of antimicrobial agent. It has the role of androgen antagonist. It has the role of antineoplastic agent. It has the role of antifungal agent. It has the role of antitussive. It has the role of hepatoprotective agent. It has the role of neuroprotective agent. It has the role of anti-inflammatory agent. It has the role of apoptosis inducer. It has the role of plant metabolite. It is also related to or classified as germacrane sesquiterpenoid, olefinic compound.
The molecule <smiles>OC(=O)N1CCC(CC1)N1CCCCC1</smiles> is A monocarboxylic acid resulting from the formal condensation of the amino group of 1,4'-bipiperidine with carbonic acid. Its functional parent is 1,4'-bipiperidine. It is also related to or classified as monocarboxylic acid, bipiperidines.
The molecule <smiles>Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1</smiles> is A substituted aniline that is 3-aminophenol in which the hydrogens of the amino group are replaced by 4-methylphenyl and 4,5-dihydro-1H-imidazol-2-ylmethyl groups respectively. An alpha-adrenergic antagonist, it is used for the treatment of hypertension. It has the role of vasodilator agent. It has the role of alpha-adrenergic antagonist.  It is also related to or classified as phenols . It is also related to or classified as imidazoles, substituted aniline, tertiary amino compound.
The molecule <smiles>OC[C@H]1O[C@@H](Oc2ccc(cc2)[C@@H]2CC(=O)c3ccc(O)cc3O2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A flavanone glycoside that is  liquiritigenin attached to a beta-D-glucopyranosyl residue at position 4' via a glycosidic linkage. It has the role of anticoronaviral agent. It has the role of anti-inflammatory agent. It has the role of plant metabolite. Its functional parent is liquiritigenin. It is also related to or classified as beta-D-glucoside . It is also related to or classified as monohydroxyflavanone, monosaccharide derivative, flavanone glycoside.
The molecule <smiles>COc1ccc(cc1OC)[C@@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1</smiles> is Forsythin. It is also related to or classified as glycoside . It is also related to or classified as lignan .
The molecule <smiles>CO[C@H](CO)CC1O[C@@H]2[C@@H](NC(=O)[C@@H](O)[C@]3(CC(=C)[C@@H](C)[C@@H](C)O3)OC)OCO[C@@H]2[C@@H](OC)C1(C)C</smiles> is Mycalamide B. It is also related to or classified as organic heterobicyclic compound, oxacycle.
The molecule <smiles>CC(=O)O[C@H]1C[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1c1ccc(=O)oc1</smiles> is Bufotalin. Its functional parent is bufanolide. It is also related to or classified as steroid lactone.
The molecule <smiles>OC[C@H]1O[C@@H](Oc2ccc(\C=C\C(=O)c3ccc(O)cc3O)cc2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A monosaccharide derivative that is trans-chalcone substituted by hydroxy groups at positions 2' and 4' and a beta-D-glucopyranosyloxy group at position 4 respectively. It has the role of antineoplastic agent. It has the role of plant metabolite. Its functional parent is trans-chalcone. It is also related to or classified as beta-D-glucoside . It is also related to or classified as chalcones . It is also related to or classified as resorcinols, monosaccharide derivative.
The molecule <smiles>COc1c(CC=C(C)C)c(O)cc2oc(=O)c3c4ccc(O)cc4oc3c12</smiles> is A member of the class of  coumestans that is coumestan substituted by hydroxy groups at positions  1 and 9,  a methoxy group at position 3 and a prenyl group at position 2 respectively. It has the role of antineoplastic agent. It has the role of plant metabolite. Its functional parent is coumestan. It is also related to or classified as delta-lactone .   It is also related to or classified as coumestans . It is also related to or classified as polyphenol, aromatic ether.
The molecule <smiles>C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1</smiles> is Gamabufogenin. Its functional parent is bufanolide. It is also related to or classified as steroid lactone.
The molecule <smiles>COc1ccc(CC[N+](C)(C)C)cc1O</smiles> is Salicifoline. It is also related to or classified as phenols . It is also related to or classified as methoxybenzenes.
The molecule <smiles>OC[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A glycosyloxyflavone that is  scutellarein attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has the role of plant metabolite. Its functional parent is scutellarein.  It is also related to or classified as glycosyloxyflavone . It is also related to or classified as trihydroxyflavone, monosaccharide derivative.
The molecule <smiles>C\C(=C\Cl)[C@H](Cl)C\C(Cl)=C(\C)[C@H](O)CBr</smiles> is Costatol. It is also related to or classified as alcohol . It is also related to or classified as organobromine compound .
The molecule <smiles>Nc1cccc(N)c1</smiles> is A  phenylenediamine  taht is benzene substituted at positions 1 and 3 with amino functions. It is also related to or classified as phenylenediamine .
The molecule <smiles>CC(=O)Oc1ccccc1</smiles> is an  acetate ester obtained by the formal condensation of phenol with acetic acid. Its functional parent is phenol. It is also related to or classified as phenyl acetates . It is also related to or classified as benzenes.
The molecule <smiles>OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc2c1occ(-c1ccc(O)cc1)c2=O</smiles> is A hydroxyisoflavone that is puerarin substituted by an alpha-D-xylopyranosyl residue at position 7 via a glycosidic linkage. Its functional parent is puerarin. It is also related to or classified as C-glycosyl compound, hydroxyisoflavone, glycosyloxyisoflavone.
The molecule <smiles>OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c2c1oc1cc(O)c(O)cc1c2=O</smiles> is A member of the class of  xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3, 6 and 7 and a 1,5-anhydro-D-glucitol moiety at position 1. It has the role of anti-HSV-1 agent. It has the role of plant metabolite. It is also related to or classified as C-glycosyl compound, polyphenol, xanthones.
The molecule <smiles>COc1c(O)cc(cc1[N+]([O-])=O)[N+]([O-])=O</smiles> is 3,5-Dinitroguaiacol. It is also related to or classified as phenols . It is also related to or classified as C-nitro compound.
The molecule <smiles>C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1</smiles> is Telocinobufagin. Its functional parent is bufanolide. It is also related to or classified as steroid lactone.
The molecule <smiles>[C@]12([C@@]([C@@H](CC[C@@]3([C@]1(C3(C)C)[H])[H])C)(CCC2=C)[H])[H]</smiles> is A carbotricyclic compound and sesquiterpene that is decahydro-1H-cyclopropa[e]azulene which is substituted by methyl groups at positions 1, 1, and 4, and by a methylidene group at position 7 (the (1aR,4R,4aR,7aR,7bR)- stereoisomer). It has been isolated from several plant species such as Acorus calamus and Pinus peuce. It has the role of volatile oil component. It has the role of plant metabolite. It has the role of Penicillium metabolite. It is also related to or classified as sesquiterpene . It is also related to or classified as carbotricyclic compound.
The molecule <smiles>N1C(NC=C(C1=O)C=O)=O</smiles> is A pyrimidone resulting from the formal oxidation of the alcoholic hydroxy group of 5-hydroxymethyluracil to the corresponding aldehyde. It is a major one-electron photooxidation product of thymine in oligodeoxynucleotides. It has the role of mutagen. It has the role of human metabolite. Its functional parent is 5-hydroxymethyluracil. Its functional parent is thymine. It is also related to or classified as aldehyde . It is also related to or classified as pyrimidone, nucleobase analogue.
The molecule <smiles>C=1C=CC=CC1CCC=NO</smiles> is 3-phenylpropional oxime. It is also related to or classified as aldoxime . It is also related to or classified as phenylpropanoid.
The molecule <smiles>[H+].[Cl-].CNC[C@H](O)c1cccc(O)c1</smiles> is A hydrochloride that is the monohydrochloride salt of phenylephrine. It is also related to or classified as hydrochloride.
The molecule <smiles>COc1cc(O)c2c(c1)oc(-c1ccc(O)cc1)c(O)c2=O</smiles> is A monomethoxyflavone that is the 7-methyl ether derivative of  kaempferol. It has the role of plant metabolite. Its functional parent is kaempferol. It is also related to or classified as monomethoxyflavone .  It is also related to or classified as flavonols . It is also related to or classified as trihydroxyflavone.
The molecule <smiles>CCC(CCCCC)O</smiles> is A secondary alcohol that is octane substituted by a hydroxy group at position 3. It has the role of pheromone. It has the role of flavouring agent. It has the role of plant metabolite. It has the role of human metabolite. It is also related to or classified as secondary alcohol . It is also related to or classified as octanol.
The molecule <smiles>Nc1ncc([nH]1)[C@H]1[C@H](CNC(=O)c2cc(Br)c[nH]2)[C@@H](CNC(=O)c2cc(Br)c[nH]2)[C@@H]1c1cnc(N)[nH]1</smiles> is Sceptrin. It is also related to or classified as secondary carboxamide . It is also related to or classified as pyrroles.
The molecule <smiles>CSCCC\C(S)=N\O</smiles> is 4-Methylthiobutylthiohydroximate. It is also related to or classified as thiohydroximic acid . It is also related to or classified as methyl sulfide .
The molecule <smiles>FS(=O)(=O)Cc1ccccc1</smiles> is an acyl fluoride with phenylmethanesulfonyl as the acyl group. It has the role of serine proteinase inhibitor. Its functional parent is phenylmethanesulfonic acid. It is also related to or classified as acyl fluoride.
The molecule <smiles>O\N=C(/S)Cc1ccc(O)cc1</smiles> is p-Hydroxyphenylacetothiohydroximate. It is also related to or classified as phenols . It is also related to or classified as thiohydroximic acid .
The molecule <smiles>[H][C@@]12[C@H](N)CSCON1CCC1=C2NC2=CC(Br)=C(O)C=C12</smiles> is an organic heterotetracyclic compound that has formula C14H16BrN3O2S. It is a natural product isolated from the Caribbean tunicate Eudistoma olivaceum and exhibits potent anti-tumor and antiviral activities. It has the role of antiviral agent. It has the role of antineoplastic agent. It has the role of protein synthesis inhibitor. It has the role of animal metabolite. It has the role of marine metabolite. It is also related to or classified as phenols . It is also related to or classified as organobromine compound . It is also related to or classified as organic heterotetracyclic compound, indole alkaloid, primary amino compound.
The molecule <smiles>C1=CC=CC(=C1)[C@H]([C@H](N)C)O</smiles> is an amphetamine in which the parent 1-phenylpropan-2-amine skeleton is substituted at position 1 with an hydroxy group. A decongestant and appetite suppressant, it is commonly used in prescription and over-the-counter cough and cold preparations. It has the role of sympathomimetic agent. It has the role of nasal decongestant. It is also related to or classified as amphetamines.