anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C(N1[C@H](C(N[C@H](C(N2[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC(=O)O)C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N3[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)O)CCC(=O)N)=O)CC(C)C)=O)CC4=CC=C(O)C=C4)=O)CCC(=O)O)=O)CCC(=O)O)=O)CCC3)=O)[C@H](CC)C)=O)CCC(=O)O)=O)CCC(=O)O)=O)CC=5C=CC=CC5)=O)CC(=O)O)=O)=O)=O)CC(=O)N)=O)CC=6N=CNC6)=O)CO)=O)CCC(=O)N)=O)CCC2)=O)CCCCN)=O)CCC1)([C@@H](NC(=O)CNC([C@@H](NC(=O)CNC([C@@H](NC([C@@H](NC([C@H]7NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@H]8NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@H]9NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CSSC9)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC(C)C)N)=O)[C@H](O)C)=O)CC%10=CC=C(C=C%10)O)=O)[C@H](O)C)=O)CC(=O)O)=O)=O)[C@H](O)C)=O)CCC(=O)O)=O)CO)=O)=O)CCC(=O)N)=O)CC(=O)N)=O)CC(C)C)=O)=O)CC(C)C)=O)CSSC8)=O)CCC(=O)O)=O)=O)CO)=O)CC(=O)N)=O)C(C)C)=O)CSSC7)=O)=O)CCC(=O)N)=O)=O)CC(=O)N)=O)CCCCN)=O)=O)[C@H](CC)C)=O)CC(C)C)=O)=O)CO)=O)CC(=O)O)=O)=O)CCC(=O)O)=O)CCCCN)=O)CC(=O)N)=O)CCC(=O)N)=O)=O)C(C)C)=O)[C@H](O)C)=O)CCC(=O)O)=O)[C@H](O)C)=O C(N1[C@H](C(N[C@H](C(N2[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC(=O)O)C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N3[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)O)CCC(=O)N)=O)CC(C)C)=O)CC4=CC=C(O)C=C4)=O)CCC(=O)O)=O)CCC(=O)O)=O)CCC3)=O)[C@H](CC)C)=O)CCC(=O)O)=O)CCC(=O)O)=O)CC=5C=CC=CC5)=O)CC(=O)O)=O)=O)=O)CC(=O)N)=O)CC=6N=CNC6)=O)CO)=O)CCC(=O)N)=O)CCC2)=O)CCCCN)=O)CCC1)([C@@H](NC(=O)CNC([C@@H](NC(=O)CNC([C@@H](NC([C@@H](NC([C@H]7NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@H]8NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@H]9NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CSSC9)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC(C)C)N)=O)[C@H](O)C)=O)CC%10=CC=C(C=C%10)O)=O)[C@H](O)C)=O)CC(=O)O)=O)=O)[C@H](O)C)=O)CCC(=O)O)=O)CO)=O)=O)CCC(=O)N)=O)CC(=O)N)=O)CC(C)C)=O)=O)CC(C)C)=O)CSSC8)=O)CCC(=O)O)=O)=O)CO)=O)CC(=O)N)=O)C(C)C)=O)CSSC7)=O)=O)CCC(=O)N)=O)=O)CC(=O)N)=O)CCCCN)=O)=O)[C@H](CC)C)=O)CC(C)C)=O)=O)CO)=O)CC(=O)O)=O)=O)CCC(=O)O)=O)CCCCN)=O)CC(=O)N)=O)CCC(=O)N)=O)=O)C(C)C)=O)[C@H](O)C)=O)CCC(=O)O)=O)[C@H](O)C)=O is A heterodetic cyclic peptide composed of 65 amino acids joined in sequence and cyclised by three disulfide bridges between cysteine residues 6-14, 16-28 and 22-39. It is a highly specific inhibitor of thrombin and used as an anticoagulant in patients with heparin-induced thrombocytopenia. It has the role of anticoagulant . It has the role of EC 3.4.21.5 (thrombin) inhibitor . It is also related to or classified as polypeptide  .  It is also related to or classified as organic disulfide  . It is also related to or classified as heterodetic cyclic peptide .
The molecule CCCCCCCCCCc1c(C)c(O)c(OC)c(OC)c1O CCCCCCCCCCc1c(C)c(O)c(OC)c(OC)c1O is A member of the class of hydroquinones that is 2,3-dimethoxyhydroquinone in which the hydrogens at positions 5 and 6 have been replaced by a methyl group and a decyl group. It is also related to or classified as hydroquinones  . It is also related to or classified as methoxybenzenes .
The molecule C=C1CC[C@@H]2[C@@H]([C@@H]3[C@H]1CCC3=C)OC(=O)C2=C is an organic heterotricyclic compound and guaianolide sesquiterpene lactone that is acrylic acid which is substituted at position 2 by a 4-hydroxy-3,8-bis(methylene)decahydoazulen-5-yl group and in which the hydroxy group and the carboxy group have undergone formal condensation to afford the corresponding gamma-lactone. It has a role as a metabolite, a trypanocidal drug, an antineoplastic agent, a cyclooxygenase 2 inhibitor, an antimycobacterial drug and an apoptosis inducer. It is a sesquiterpene lactone, a guaiane sesquiterpenoid, an organic heterotricyclic compound and a gamma-lactone.
The molecule C/C(=C\\[C@H]1[C@@H](CC2=CNC3=CC=CC1=C23)[NH2+]C)/C=O is an indole alkaloid cation that is the conjugate acid of chanoclavine-I aldehyde obtained by protonation of the secondary amino group. Major species at pH 7.3 It is a conjugate acid of a chanoclavine-I aldehyde.
The molecule COc1cc(CCNC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O COc1cc(CCNC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O is N-trans-feruloyl-3-methoxytyramine. It has the role of metabolite . It is also related to or classified as hydroxycinnamic acid .
The molecule C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=N3 C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=N3 is N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CN1C[C@H]2[C@@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)C#N)OC CN1C[C@H]2[C@@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)C#N)OC is LSM-14529. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC(=CC=C1C(=O)NCC(=O)[O-])N is a hippurate that is the conjugate base of p-aminohippuric acid, arising from deprotonation of the carboxy group. It is a conjugate base of a p-aminohippuric acid.
The molecule C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=C3F C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=C3F is N-[(5R,6R,9S)-8-[(2-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C)C C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C)C is 1-(2-fluorophenyl)-3-[(5R,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1C(C(=O)O[C@H]2[C@@H]([C@@H]([C@]3([C@@H]([C@@H]([C@@H]4[C@H]([C@@]3([C@@]2(C)O)O[C@]4(COC(=O)C5=C1C=CN=C5)C)OC(=O)C6=CC=CC=C6)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C is a sesquiterpene alkaloid that is isolated from Tripterygium wilfordii. It has a role as a plant metabolite. It is an acetate ester, a benzoate ester, a dihydroagarofuran sesquiterpenoid, a macrolide, a pyridine alkaloid and a sesquiterpene alkaloid.
The molecule C1(C(O)C(CO)OC(C1O)OC=2C=CC(/C=C/C(=O)NCCC3=CC(=C(C=C3)O)OC)=CC2OC)O C1(C(O)C(CO)OC(C1O)OC=2C=CC(/C=C/C(=O)NCCC3=CC(=C(C=C3)O)OC)=CC2OC)O is feruloyl-3-methoxytyramine glycoside. Its functional parent is N-trans-feruloyl-3-methoxytyramine . It is also related to or classified as glycoside  . It is also related to or classified as hydroxycinnamic acid .
The molecule O=C/1N[C@@H](C(=O)N(\C1=C/C2=CC=CC=C2)C)CC3=C(O)C=CC=C3 O=C/1N[C@@H](C(=O)N(\C1=C/C2=CC=CC=C2)C)CC3=C(O)C=CC=C3 is (+)-5-hydroxydiphenylalazine A. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule FC=1C=C2C(N(C(=O)C2NC(=O)C)CCN3CCOCC3)=CC1.Cl FC=1C=C2C(N(C(=O)C2NC(=O)C)CCN3CCOCC3)=CC1.Cl is N-[5-Fluoro-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydron;chloride. It has the role of anticoronaviral agent . It is also related to or classified as N-acyl-amino acid .
The molecule C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@@H]([C@@H]4O)O)C is an androstanoid that is testosterone substituted by a beta-hydroxy group at position 16. A natural product found in Daphnia magna exposed to the biocide tributyltin. It has a role as an androgen and a Daphnia magna metabolite. It is a 17beta-hydroxy steroid, a 3-oxo-Delta(4) steroid, an androstanoid and a 16beta-hydroxy steroid. It derives from a testosterone.
The molecule C1(=CC=C2NC(C(C2=C1)=O)=O)I C1(=CC=C2NC(C(C2=C1)=O)=O)I is 5-Iodoisatin. It has the role of anticoronaviral agent . It is also related to or classified as indoles .
The molecule CCCCCCC[C@H]1CCC(=O)O1 CCCCCCC[C@H]1CCC(=O)O1 is gamma-undecanolactone. Its functional parent is undecanoic acid . It is also related to or classified as butan-4-olide .
The molecule C/C/1=C/2\\[C@@]([C@@H](C(=N2)/C=C\\3/[C@@]([C@@H](/C(=C/C4=C(C(=C(N4)CC5=C(C(=C1N5)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)/N3)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O is the intermediate in the biosynthesis of vitamin B12 from uroporphyrinogen III in which three methyl groups have been introduced at positions 2, 7 and 20 of the tetrapyrrole framework. It is a conjugate acid of a precorrin-3A(7-).
The molecule C1(NC2=CC=C(C=C2C1=O)Cl)=O C1(NC2=CC=C(C=C2C1=O)Cl)=O is 5-Chloro-1H-indole-2,3-dione. It has the role of anticoronaviral agent . It is also related to or classified as indoles .
The molecule C(N1N=C(C2=C1N=CC=C2)C=3N=C(C(=CN3)C4CC4)N)C=5C=CC=CC5F C(N1N=C(C2=C1N=CC=C2)C=3N=C(C(=CN3)C4CC4)N)C=5C=CC=CC5F is A pyrazolopyridine that is 1H-pyrazolo[3,4-b]pyridine which is substituted by a 2-fluorobenzyl group at position 1 and by a 4-amino-5-cyclopropylpyrimidin-2-yl group at position 3. It is an activator of soluble guanylate cyclase. It has the role of vasodilator agent . It has the role of antihypertensive agent . It has the role of platelet aggregation inhibitor . It has the role of soluble guanylate cyclase activator .    It is also related to or classified as monofluorobenzenes  . It is also related to or classified as aminopyrimidine , pyrazolopyridine , cyclopropanes .
The molecule C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)S(=O)(=O)C)N=N2)[C@H](C)CO C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)S(=O)(=O)C)N=N2)[C@H](C)CO is N-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylmethanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C is N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-phenylmethanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C/C(=C\\C[C@@H]1C(=C)CC[C@@H]2[C@@]1(CCCC2(C)C)C)/C=C is a diterpene derived from labdane by dehydrogenation across the C(8)-C(17), C(12)-C(13) and C(14)-C(15) bonds. It derives from a hydride of a labdane.
The molecule CCC(C)C(=O)O[C@H]1CC[C@@H]2[C@@]([C@@H](C[C@@H]([C@]2([C@@]13CO3)COC(=O)C)OC(=O)C)C)(C)[C@@H]4C[C@H]5CC(O[C@H]5O4)O is a diterpenoid isolated from the aerial parts of Ajuga bracteosa. It has a role as an antifeedant and a plant metabolite. It is a furofuran, an acetate ester, a diterpenoid, a spiro-epoxide and a cyclic acetal.
The molecule [H]C(=O)CC#C [H]C(=O)CC#C is A butynal which has a monosubstituted triple bond. It has the role of mouse metabolite .  It is also related to or classified as alpha-CH2-containing aldehyde  . It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as butynal .
The molecule CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3=NC=CS3)C CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3=NC=CS3)C is N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CSCCC[C@@H](C(=O)[O-])[NH3+] is an L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of any L-polyhomomethionine; major species at pH 7.3. It is a L-alpha-amino acid zwitterion and a sulfur-containing amino-acid anion. It is a tautomer of a L-polyhomomethionine.
The molecule C(CCC(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)[O-])O)O)O)C/C=C\\C[C@H](/C=C/C=C/C=C\\[C@H](CCCC(=O)[O-])O)O is a leukotriene anion obtained by deprotonation of the carboxylic acid functions of 20-hydroxy-20-oxoleukotriene B4-20-(beta-D-glucuronide); major species at pH 7.3. It is a leukotriene anion, a dicarboxylic acid dianion and a carbohydrate acid derivative anion. It is a conjugate base of a 20-hydroxy-20-oxoleukotriene B4-20-(beta-D-glucuronide).
The molecule C=1C=CC=C(C1)CCC2=CC=C(C=C2)COC3=C(C=CC=C3)CCN(CCCCC(O)=O)CC4=CC=C(C=C4)C(O)=O C=1C=CC=C(C1)CCC2=CC=C(C=C2)COC3=C(C=CC=C3)CCN(CCCCC(O)=O)CC4=CC=C(C=C4)C(O)=O is A benzoic acid that is 4-(aminomethyl)benzoic acid in which the amino group is substituted by 4-carboxybutyl and 2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl groups. It is a soluble guanylate cyclase activator, used for the treatment of acute decompensated heart failure. It has the role of vasodilator agent . It has the role of antihypertensive agent . It has the role of soluble guanylate cyclase activator . It is also related to or classified as benzoic acids , aromatic ether , dicarboxylic acid , tertiary amino compound .
The molecule OC[C@H]1O[C@@H](Oc2cc3C[C@@H](C([O-])=O)\[N+](=C/C=C4C[C@@H](NC(=C\4)C(O)=O)C(O)=O)c3cc2O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](Oc2cc3C[C@@H](C([O-])=O)\[N+](=C/C=C4C[C@@H](NC(=C\4)C(O)=O)C(O)=O)c3cc2O)[C@H](O)[C@@H](O)[C@@H]1O is Isobetanin. Its functional parent is betanidin .  It is also related to or classified as glycoside  . It is also related to or classified as betalain .
The molecule Oc1c(ccc2ccccc12)C([O-])=O Oc1c(ccc2ccccc12)C([O-])=O is A hydroxy monocarboxylic acid anion that is the conjugate base of 1-hydroxy-2-naphthoic acid. It has the role of fungal xenobiotic metabolite . It has the role of bacterial xenobiotic metabolite . Its functional parent is 2-naphthoate . It is also related to or classified as hydroxy monocarboxylic acid anion .
The molecule CC(=O)N[C@@H](C1=CC=CC=C1)C(=O)O is an N-acyl-L-alpha-amino acid that is L-alpha-phenylglycine in which a hydrogen attached to the nitrogen has been replaced by an acetyl group. It is a N-acyl-L-alpha-amino acid, a glycine derivative and a non-proteinogenic amino acid derivative. It derives from a L-alpha-phenylglycine. It is a conjugate acid of a N-acetyl-L-alpha-phenylglycinate.
The molecule CC1=CC(=O)OC(=C1C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])C CC1=CC(=O)OC(=C1C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])C is 2,4-dimethyl-6-oxo-3-pyrancarboxylic acid (3-nitrophenyl)methyl ester. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .
The molecule CCCCC[C@@H](/C=C/C=C\\C=C\\C=C\\[C@H]([C@H](CCCC(=O)O)O)O)O is a C20 hydroxy fatty acid having (5S)-, (6R)- and (15S)-hydroxy groups as well as (7E)- (9E)-, (11Z)- and (13E)-double bonds. It has a role as a metabolite and a human metabolite. It is a lipoxin, a long-chain fatty acid and a hydroxy polyunsaturated fatty acid. It is a conjugate acid of a lipoxin A4(1-).
The molecule N=1C(=NC(=C(C1N)NC(=O)OC)N)C=2C3=C(N(N2)CC=4C(=CC=CC4)F)N=CC(=C3)F N=1C(=NC(=C(C1N)NC(=O)OC)N)C=2C3=C(N(N2)CC=4C(=CC=CC4)F)N=CC(=C3)F is A pyrazolopyridine that is 5-fluoro-1H-pyrazolo[3,4-b]pyridine in which the amino hydrogen at position 1 has been substituted by a 2-fluorobenzyl group and the hydrogen at position 3 has been substituted by a 4,6-diamino-5-[(methoxycarbonyl)amino]pyrimidin-2-yl group. It is a soluble guanylate cyclase stimulator which is used for treatment of chronic heart failure. It has the role of vasodilator agent . It has the role of antihypertensive agent . It has the role of soluble guanylate cyclase activator .  It is also related to or classified as organofluorine compound  . It is also related to or classified as carbamate ester , aminopyrimidine , pyrazolopyridine .
The molecule C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C)OC C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C)OC is LSM-14496. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COS([O-])(=O)=O.C[N+]1(C)CCC(CC1)=C(c1ccccc1)c1ccccc1 COS([O-])(=O)=O.C[N+]1(C)CCC(CC1)=C(c1ccccc1)c1ccccc1 is the alkene resulting from the formal Wittig olefination of benzophenone and 1,1-dimethyl-4-bromopiperidinium methylsulfate. A quaternary ammonium anticholinergic, it binds muscarinic acetycholine receptors and thereby decreases secretory excretion of stomach acids, saliva and sweat, It is used topically in the treatment of hyperhidorsis (excessive sweating). It has the role of bronchodilator agent . It has the role of muscarinic antagonist . It has the role of parasympatholytic . It is also related to or classified as piperidines , quaternary ammonium salt .
The molecule C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N is a tripeptide composed of L-glutamic acid, L-alanine, and glycine residues joined in sequence by peptide linkages. It has a role as a mammalian metabolite. It derives from a L-glutamic acid, a L-alanine and a glycine.
The molecule C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O[C@H]3[C@H](C)O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]5[C@H](O[C@H](CO)[C@@H](O)[C@@H]5O[C@H]5O[C@H](C)[C@H](O)C[C@H]5O)O[C@H]5[C@H](C)O[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@H](O)[C@@H]3O)[C@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)C[C@H]1O C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O[C@H]3[C@H](C)O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]5[C@H](O[C@H](CO)[C@@H](O)[C@@H]5O[C@H]5O[C@H](C)[C@H](O)C[C@H]5O)O[C@H]5[C@H](C)O[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@H](O)[C@@H]3O)[C@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)C[C@H]1O is A branched octasaccharide consisting of two repeating tetrasaccharide units; isolated from phage P22 endo-rhamnosidase cleaved S. typhimurium O-polysaccharide chains. It has the role of epitope . It is also related to or classified as oligosaccharide  .
The molecule OC(=O)c1cccc(OP(O)(=O)CNC(=O)Cc2ccccc2)c1 OC(=O)c1cccc(OP(O)(=O)CNC(=O)Cc2ccccc2)c1 is an organic 3-carboxyphenyl phosphonate monoester. It has the role of EC 3.5.2.6 (beta-lactamase) inhibitor . It is also related to or classified as aryl phosphonate .
The molecule CNC1=CC=CC=C1C(=O)O[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C3N=C(NC4=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O is a purine ribonucleoside 5'-triphosphate that is GTP substituted at the 2' position by an N-methylanthraniloyl group. It has a role as a fluorescent probe. It derives from a 2'-MANT-GDP.
The molecule [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C(=O)Oc1ccc2CCCc2c1)c1ccccc1)C(O)=O [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C(=O)Oc1ccc2CCCc2c1)c1ccccc1)C(O)=O is carindacillin. It is a conjugate acid of carindacillin(1-) . It is also related to or classified as penicillin  .
The molecule C=1(C(=CN=C(N1)C=2C=C(N(N2)CC=3C(=CC=CC3)F)C=4C=CON4)F)NCC(O)(C(F)(F)F)C(F)(F)F C=1(C(=CN=C(N1)C=2C=C(N(N2)CC=3C(=CC=CC3)F)C=4C=CON4)F)NCC(O)(C(F)(F)F)C(F)(F)F is A member of the class of pyrazoles that is 5-fluoro-2-(1H-pyrazol-3-yl)pyrimidine which is substituted by a 2-fluorobenzyl group at position 1, 1,2-oxazol-3-yl group at position 5, and by a [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]nitrilo group at position 4. It is a soluble guanylate cyclase stimulator under clinical development for the treatment of heart failure with preserved ejection fraction. It has the role of vasodilator agent . It has the role of antihypertensive agent . It has the role of anti-inflammatory agent . It has the role of soluble guanylate cyclase activator .  It is also related to or classified as tertiary alcohol  .   It is also related to or classified as isoxazoles  . It is also related to or classified as monofluorobenzenes  . It is also related to or classified as organofluorine compound  . It is also related to or classified as pyrazoles , aminopyrimidine , secondary amino compound .
The molecule O=C1CCCC2=CC3=C(CC4(C3)CC3=C(C4)C=C4C(=O)CCCC4=C3)C=C12 O=C1CCCC2=CC3=C(CC4(C3)CC3=C(C4)C=C4C(=O)CCCC4=C3)C=C12 is A spiro compound that consists of two units of 1,2,3,6,7,8-hexahydro-5H-cyclopenta[b]naphthalen-5-one fused together at position 2. It is an inhibitor of Hepatitis C virus E2 protein that exhibits inhibitory activity against hepatitis C virus infections. It has the role of antiviral agent .    It is also related to or classified as diketone  . It is also related to or classified as spiro compound , carbopolycyclic compound , cyclic ketone .
The molecule C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)C(=O)NC3=CC=CC=C3F)[C@@H](C)CO C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)C(=O)NC3=CC=CC=C3F)[C@@H](C)CO is 3-(2-fluorophenyl)-1-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC/C=C\\C/C=C\\C=C\\C(C(/C=C/C=C\\C(CCCCCC(=O)[O-])O)O)O is a docosanoid anion that is the conjugate base of resolvin T2, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a hydroxy fatty acid anion and a docosanoid anion. It is a conjugate base of a resolvin T2.
The molecule CCOP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O is an organic triphosphate formed by condensation between the gamma-phospho group of cytidine 5'-triphosphate and ethanol. It derives from an ethanol and a CTP.
The molecule C(N1N=C(C2=C1C=CC=C2)C=3OC(=CC3)CO)C=4C=CC=CC4 C(N1N=C(C2=C1C=CC=C2)C=3OC(=CC3)CO)C=4C=CC=CC4 is A member of the class of indazoles that is 1H-indazole which is substituted by a benzyl group at position 1 and a 5-(hydroxymethyl)-2-furyl group at position 3. It is an activator of soluble guanylate cyclase and inhibits platelet aggregation. It has the role of antineoplastic agent . It has the role of vasodilator agent . It has the role of platelet aggregation inhibitor . It has the role of apoptosis inducer . It has the role of soluble guanylate cyclase activator .  It is also related to or classified as aromatic primary alcohol  . It is also related to or classified as furans , indazoles .
The molecule [I-].CCOP(=O)(OCC)SCC[N+](C)(C)C [I-].CCOP(=O)(OCC)SCC[N+](C)(C)C is the iodide salt of ecothiopate. An irreversible acetylcholinesterase inhibitor, it is used an ocular antihypertensive in the treatment of open-angle glaucoma, particularly when other drugs have proved inadequate. It has the role of EC 3.1.1.8 (cholinesterase) inhibitor . It has the role of antiglaucoma drug . It has the role of miotic . It is also related to or classified as iodide salt , quaternary ammonium salt .
The molecule S1C=2C(=NC(C)(C)C(C2C)=O)C[C@]3(C1=C(C(=O)C(C)(C)N3)C)C S1C=2C(=NC(C)(C)C(C2C)=O)C[C@]3(C1=C(C(=O)C(C)(C)N3)C)C is (-)-xylaridine C. It is also related to or classified as organosulfur heterocyclic compound , organic heteromonocyclic ring .
The molecule C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)C(=O)NC3=CC(=CC=C3)OC4=CC=CC=N4)N=N2)[C@H](C)CO C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)C(=O)NC3=CC(=CC=C3)OC4=CC=CC=N4)N=N2)[C@H](C)CO is 1-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-[3-(2-pyridinyloxy)phenyl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NS(=O)(=O)O)O)O[C@H]2[C@@H]([C@H](C(=C(O2)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O is an oligosaccharide sulfate that is Delta(4)-beta-D-GlcpA2S-(1->4)-beta-D-GlcpNS in which the hydroxy group at position 6 of the 2-sulfoamino-beta-D-glucopyranose moiety has been converted into the corresponding sulfamic acid derivative. It is a disaccharide derivative, an oligosaccharide sulfate, a member of sulfamic acids and a monocarboxylic acid.