diff --git "a/identification.csv" "b/identification.csv" new file mode 100644--- /dev/null +++ "b/identification.csv" @@ -0,0 +1,1778 @@ +molecule_id,image,role,names_alias_set,cano_smiles +1,images/1.png,host,CB8, +2,images/2.png,host,CB7, +4,images/4.png,molecule,"(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one|Prednisolone",CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O +5,images/5.png,molecule,"(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|Testosterone",CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C +6,images/6.png,molecule,Nandrolone|Nortestosterone,CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34 +7,images/7.png,molecule,"(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid|Cholic acid",CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C +8,images/8.png,molecule,"Vecuronium|[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate",CC(=O)OC1CC2CCC3C(C2(CC1N4CCCCC4)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C +9,images/9.png,molecule,"Pancuronium|[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate",CC(=O)OC1CC2CCC3C(C2(CC1[N+]4(CCCCC4)C)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C +10,images/10.png,molecule,Ethanol|ethanol,CCO +11,images/11.png,molecule,(2S)-2-amino-3-phenylpropanoic acid|L-Phe|L-Phenylalanine,C1=CC=C(C=C1)CC(C(=O)O)N +12,images/12.png,molecule,(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid|L-Tyr|L-Tyrosine,C1=CC(=CC=C1CC(C(=O)O)N)O +16,images/16.png,molecule,Sodium chloride|sodium;chloride,[Na+].[Cl-] +17,images/17.png,molecule,2-[[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetic acid|Trp-Gly-Gly,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC(=O)NCC(=O)O)N +18,images/18.png,molecule,"16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene;chloride|Berberine chloride",COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[Cl-] +19,images/19.png,molecule,Drospirenone, +20,images/20.png,molecule,"(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|Progesterone",CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C +21,images/21.png,molecule,Megestrol acetate, +22,images/22.png,molecule,Cortisol, +23,images/23.png,molecule,"(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol|Estradiol|beta-Estradiol",CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O +24,images/24.png,molecule,beta-Estradiol-17-acetate, +25,images/25.png,molecule,Estradiol benzoate, +26,images/26.png,molecule,"S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate|Spironolactone",CC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C +27,images/27.png,molecule,Corticosterone, +28,images/28.png,molecule,nandrolone-17-propionate, +29,images/29.png,molecule,Estrone, +30,images/30.png,molecule,"(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol|17-alpha-Ethinyl estradiol|Ethinyl-estradiol",CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O +31,images/31.png,molecule,Estriol, +32,images/32.png,molecule,7-Dehydrocholesterol, +33,images/33.png,molecule,"(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol|Cholesterol",CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C +35,images/35.png,molecule,(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid|L-Trp|L-Tryptophan,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N +36,images/36.png,molecule,Aniline|aniline,C1=CC=C(C=C1)N +37,images/37.png,molecule,Phenol|phenol,C1=CC=C(C=C1)O +38,images/38.png,molecule,(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid|5-HTP|5-Hydroxy-L-Tryptophan,C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N +39,images/39.png,molecule,"2,7-dimethylbenzo[lmn][3,8]phenanthroline-2,7-diium|2,7-dimethyldiazapyrenium|MDAP",C[N+]1=CC2=C3C4=C(C=[N+](C)C=C4C=CC3=C1)C=C2 +41,images/41.png,molecule,Hg2+|Mercury cation|mercury(2+),[Hg+2] +42,images/42.png,molecule,Benzene|benzene,C1=CC=CC=C1 +43,images/43.png,molecule,"(E)-4-(4-(1,4-dioxa-7,13-dithia-10-azacyclopent...|(E)-4-(4-(1,4-dioxa-7,13-dithia-10-azacyclopentadecan-10-yl)styryl)-1-methylpyridin-1-ium",C[N+](C=C1)=CC=C1/C=C/C2=CC=C(N3CCSCCOCCOCCSCC3)C=C2 +44,images/44.png,molecule,2-Phenethylamine|2-Phenylethylamine|2-phenylethanamine,C1=CC=C(C=C1)CCN +45,images/45.png,molecule,4-Ethoxyphenol, +46,images/46.png,molecule,"1,2-Dihydroxybenzene|Pyrocatechol|benzene-1,2-diol",C1=CC=C(C(=C1)O)O +47,images/47.png,molecule,"1,4-Dihydroxybenzene|Hydroquinone|benzene-1,4-diol",C1=CC(=CC=C1O)O +48,images/48.png,molecule,"cyclohexa-2,5-diene-1,4-dione|p-Benzoquinone",C1=CC(=O)C=CC1=O +49,images/49.png,molecule,"(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol|Phenyl-β-D-galactopyranoside",C1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O +50,images/50.png,molecule,2-(1H-indol-3-yl)ethanamine|Tryptamine,C1=CC=C2C(=C1)C(=CN2)CCN +51,images/51.png,molecule,3-(2-aminoethyl)-1H-indol-5-ol|Serotonin,C1=CC2=C(C=C1O)C(=CN2)CCN +52,images/52.png,molecule,"7-(diethylamino)-N-(1,3-dihydroxy-2-(hydroxymet...|7-(diethylamino)-N-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-2-oxo-2H-chromene-3-carboxamide",OCC(CO)(CO)NC(C1=CC2=CC=C(N(CC)CC)C=C2OC1=O)=O +53,images/53.png,molecule,"N-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-...|N-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxamide",O=C1OC2=C3C4=C(CCCN4CCC3)C=C2C=C1C(NC(CO)(CO)CO)=O +55,images/55.png,molecule,1H-indole|Indole,C1=CC=C2C(=C1)C=CN2 +56,images/56.png,host,CB6, +57,images/57.png,molecule,"2,7-Dimethyldiazaphenanthrenium|3,8-dimethyl-3,8-phenanthroline-3,8-diium",C[N+]1=CC2=C(C=C1)C3=CC=[N+](C)C=C3C=C2 +58,images/58.png,molecule,1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;dichloride|Methyl viologen,C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.[Cl-].[Cl-] +61,images/61.png,molecule,L-Trp-OMe|L-Tryptophan methyl ester|methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate,COC(=O)C(CC1=CNC2=CC=CC=C21)N +62,images/62.png,molecule,(2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid|N-Acetyl-L-Trp|N-Acetyl-L-Tryptophan,CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O +63,images/63.png,molecule,3-(1H-indol-3-yl)propanoic acid|3-Indolepropionic acid,C1=CC=C2C(=C1)C(=CN2)CCC(=O)O +64,images/64.png,molecule,2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]acetic acid|Gly-Trp-Gly|glycyl-l-tryptophyl-glycine,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC(=O)O)NC(=O)CN +65,images/65.png,molecule,2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(1H-indol-3-yl)propanoic acid|Gly-Gly-Trp,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CNC(=O)CN +66,images/66.png,molecule,glycylglycyl-L-tryptophylglycylglycine, +67,images/67.png,host,Methyl CB8-Viologen-Rotaxane, +68,images/68.png,molecule,"2,6-Dihydroxynaphthalene|naphthalene-2,6-diol",C1=CC2=C(C=CC(=C2)O)C=C1O +69,images/69.png,host,12-Crown-4, +71,images/71.png,host,β-CD, +72,images/72.png,molecule,(2R)-2-acetamido-3-phenylpropanoic acid|N-Acetyl-D-phenylalanine,CC(=O)NC(CC1=CC=CC=C1)C(=O)O +73,images/73.png,molecule,(2S)-2-acetamido-3-phenylpropanoic acid|N-Acetyl-L-Phenylalanine,CC(=O)NC(CC1=CC=CC=C1)C(=O)O +74,images/74.png,molecule,(2R)-2-acetamido-3-(1H-indol-3-yl)propanoic acid|N-Acetyl-D-Trp|N-Acetyl-D-Tryptophan,CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O +75,images/75.png,molecule,(2R)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid|N-acetyl-D-tyrosine,CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O +76,images/76.png,molecule,N-Acetyl-L-tyrosine, +77,images/77.png,molecule,"(1R,2S)-2-Amino-1,2-diphenylethanol|(1R,2S)-2-amino-1,2-diphenylethanol",C1=CC=C(C=C1)C(C(C2=CC=CC=C2)O)N +78,images/78.png,molecule,"(1S,2R)-(+)-2-Amino-1,2-diphenylethanol", +84,images/84.png,molecule,(2R)-2-(phenylmethoxymethyl)oxirane|(R)-(-)-Benzyl glycidyl ether,C1C(O1)COCC2=CC=CC=C2 +85,images/85.png,molecule,(2S)-2-(phenylmethoxymethyl)oxirane|(S)-(+)-Benzyl glycidyl ether,C1C(O1)COCC2=CC=CC=C2 +86,images/86.png,molecule,"((4R,5R)-2-Phenyl-1,3-dioxolane-4,5-diyl)dimethanol|(+)-2,3-O-Benzylidene-D-threitol|[(4R,5R)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol",C1=CC=C(C=C1)C2OC(C(O2)CO)CO +87,images/87.png,molecule,"((4S,5S)-2-phenyl-1,3-dioxolane-4,5-diyl)dimethanol|(-)-2,3-O-Benzylidene-l-threitol|[(4S,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol",C1=CC=C(C=C1)C2OC(C(O2)CO)CO +88,images/88.png,molecule,"(2R,3R)-(-)-2-Benzyloxy-1,3,4-butanetriol|(2R,3R)-3-phenylmethoxybutane-1,2,4-triol",C1=CC=C(C=C1)COC(CO)C(CO)O +89,images/89.png,molecule,"(2S,3S)-2-(Benzyloxy)butane-1,3,4-triol|(2S,3S)-3-phenylmethoxybutane-1,2,4-triol",C1=CC=C(C=C1)COC(CO)C(CO)O +90,images/90.png,molecule,(2R)-2-amino-3-phenylmethoxypropanoic acid|O-Benzyl-D-Ser|O-Benzyl-D-Serine,C1=CC=C(C=C1)COCC(C(=O)O)N +91,images/91.png,molecule,(2S)-2-amino-3-phenylmethoxypropanoic acid|O-Benzyl-L-Ser|O-Benzyl-L-Serine,C1=CC=C(C=C1)COCC(C(=O)O)N +92,images/92.png,molecule,(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid|N-Boc-D-Ala|N-Boc-D-Alanine,CC(C(=O)O)NC(=O)OC(C)(C)C +93,images/93.png,molecule,(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid|N-Boc-l-Alanine,CC(C(=O)O)NC(=O)OC(C)(C)C +94,images/94.png,molecule,Boc-D-alanine methyl ester|methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate,CC(C(=O)OC)NC(=O)OC(C)(C)C +95,images/95.png,molecule,Boc-L-Ala-OMe|N-t-Boc-L-Alanine methyl ester|methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate,CC(C(=O)OC)NC(=O)OC(C)(C)C +96,images/96.png,molecule,(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid|Boc-D-Ser|N-(tert-Butoxycarbonyl)-D-serine,CC(C)(C)OC(=O)NC(CO)C(=O)O +97,images/97.png,molecule,(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid|N-Boc-L-serine,CC(C)(C)OC(=O)NC(CO)C(=O)O +98,images/98.png,molecule,"(R)-3-Bromo-8-camphorsulfonic acid|[(1R,3S,4S,7R)-3-bromo-1,7-dimethyl-2-oxo-7-bicyclo[2.2.1]heptanyl]methanesulfonic acid",CC12CCC(C1(C)CS(=O)(=O)O)C(C2=O)Br +99,images/99.png,molecule,"D-3-Bromocamphor-8-sulfonic acid ammonium salt|azanium;[(1S,3R,4R,7S)-3-bromo-1,7-dimethyl-2-oxo-7-bicyclo[2.2.1]heptanyl]methanesulfonate",CC12CCC(C1(C)CS(=O)(=O)[O-])C(C2=O)Br.[NH4+] +100,images/100.png,molecule,(2R)-3-bromo-2-methylpropan-1-ol|(R)-(-)-3-Bromo-2-methyl-1-propanol,CC(CO)CBr +101,images/101.png,molecule,(2S)-3-bromo-2-methylpropan-1-ol|(S)-(+)-3-Bromo-2-methyl-1-propanol,CC(CO)CBr +102,images/102.png,molecule,(R)-(+)-3-Bromoisobutyric acid methyl ester|methyl (2R)-3-bromo-2-methylpropanoate,CC(CBr)C(=O)OC +103,images/103.png,molecule,(S)-3-Bromo-2-methyl-propionic acid methyl ester|methyl (2S)-3-bromo-2-methylpropanoate,CC(CBr)C(=O)OC +104,images/104.png,molecule,"(1R)-(+)-Camphanic acid|(1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid",CC1(C2(CCC1(OC2=O)C(=O)O)C)C +105,images/105.png,molecule,"(1S)-(-)-Camphanic acid|(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid",CC1(C2(CCC1(OC2=O)C(=O)O)C)C +106,images/106.png,molecule,"(1R,3S)-(+)-Camphoric acid|(1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid|(1R,3S)-Camphoric acid",CC1(C(CCC1(C)C(=O)O)C(=O)O)C +107,images/107.png,molecule,"(1S,3R)-(-)-Camphoric acid", +108,images/108.png,molecule,"(1R,E)-(+)-Camphorquinone 3-oxime|(3Z)-3-hydroxyimino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one|(R)-Camphorquinone-3-oxime",CC1(C2CCC1(C(=O)C2=NO)C)C +109,images/109.png,molecule,"(1S,3Z,4R)-3-hydroxyimino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one|(1S,E)-(-)-Camphorquinone 3-oxime|(S)-Camphorquinone 3-oxime",CC1(C2CCC1(C(=O)C2=NO)C)C +110,images/110.png,molecule,"(R)-10-Camphorsulfonic acid|[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid",CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C +111,images/111.png,molecule,"(S)-10-Camphorsulfonic acid|[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid",CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C +112,images/112.png,molecule,(2R)-2-(phenylmethoxycarbonylamino)propanoic acid|N-Cbz-D-alanine,CC(C(=O)O)NC(=O)OCC1=CC=CC=C1 +113,images/113.png,molecule,(2S)-2-(phenylmethoxycarbonylamino)propanoic acid|N-Cbz-L-alanine,CC(C(=O)O)NC(=O)OCC1=CC=CC=C1 +114,images/114.png,molecule,"(1R,2R)-cyclohexane-1,2-diol|(1R,2R)-trans-1,2-Cyclohexanediol",C1CCC(C(C1)O)O +115,images/115.png,molecule,"(1S,2S)-cyclohexane-1,2-diol|(1S,2S)-trans-1,2-Cyclohexanediol",C1CCC(C(C1)O)O +116,images/116.png,molecule,(1R)-1-cyclohexylethanamine|(R)-(-)-1-Cyclohexylethylamine,CC(C1CCCCC1)N +117,images/117.png,molecule,(1S)-1-cyclohexylethanamine|(S)-(+)-1-Cyclohexylethylamine,CC(C1CCCCC1)N +118,images/118.png,molecule,"(2S,3S)-2,3-dibenzoyloxybutanedioic acid|Dibenzoyl-D-tartaric acid|O,O′-dibenzoyl-d-tartaric acid",C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O +119,images/119.png,molecule,"(2R,3R)-2,3-dibenzoyloxybutanedioic acid|Dibenzoyl-L-tartaric acid",C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O +120,images/120.png,molecule,"(2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid|O,O′-Di-p-toluoyl-D-tartaric acid",CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O +121,images/121.png,molecule,"(2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid|O,O′-Di-p-toluoyl-L-tartaric acid",CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O +122,images/122.png,molecule,(2R)-2-[(2-aminoacetyl)amino]-3-phenylpropanoic acid|Gly-D-Phe,C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CN +123,images/123.png,molecule,(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoic acid|Gly-L-Phe|glycyl-L-phenylalanine,C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CN +124,images/124.png,molecule,(2R)-2-cyclohexyl-2-hydroxyacetic acid|(R)-2-Cyclohexyl-2-hydroxyacetic acid|(R)-Hexahydromandelic acid,C1CCC(CC1)C(C(=O)O)O +125,images/125.png,molecule,(2S)-2-cyclohexyl-2-hydroxyacetic acid|(S)-Hexahydromandelic acid,C1CCC(CC1)C(C(=O)O)O +126,images/126.png,molecule,"(1R,2R,5R)-2-Hydroxy-3-pinanone|(1R,2R,5R)-2-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one",CC1(C2CC1C(C(=O)C2)(C)O)C +127,images/127.png,molecule,"(1S,2D,5S)-(-)-2-Hydroxy-3-pinanone|(1S,2S,5S)-2-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one",CC1(C2CC1C(C(=O)C2)(C)O)C +128,images/128.png,molecule,"1,3,5,7-tetramethyl-3,7-dihydrobenzo[1,2-d:4,5-d']diimidazole-1,5-diium|MBBI|Tetramethyl benzobis (imidazolium)",C[N+]1=CN(C)C2=CC([N+](C)=CN3C)=C3C=C21 +129,images/129.png,molecule,4-Iodophenol|4-iodophenol|p-Iodophenol,C1=CC(=CC=C1O)I +130,images/130.png,molecule,"2,7-Dihydroxynaphthalene|naphthalene-2,7-diol",C1=CC(=CC2=C1C=CC(=C2)O)O +131,images/131.png,molecule,2-Hydroxynaphthalene|2-naphthol|naphthalen-2-ol,C1=CC=C2C=C(C=CC2=C1)O +132,images/132.png,molecule,(2R)-2-hydroxy-2-phenylacetic acid|(R)-(-)-Mandelic acid|(R)-Mandelic acid,C1=CC=C(C=C1)C(C(=O)O)O +133,images/133.png,molecule,(2S)-2-hydroxy-2-phenylacetic acid|(S)-(+)-Mandelic acid|(S)-Mandelic acid,C1=CC=C(C=C1)C(C(=O)O)O +134,images/134.png,molecule,Methyl-(R)-(-)-mandelate|R(-)-Mandelic acid methyl ester|methyl (2R)-2-hydroxy-2-phenylacetate,COC(=O)C(C1=CC=CC=C1)O +135,images/135.png,molecule,(S)-Mandelic acid methyl ester|Methyl-(S)-(+)-mandelate|methyl (2S)-2-hydroxy-2-phenylacetate,COC(=O)C(C1=CC=CC=C1)O +136,images/136.png,molecule,(2R)-2-methoxy-2-phenylacetic acid|(R)-(-)-alpha-Methoxyphenylacetic acid,COC(C1=CC=CC=C1)C(=O)O +137,images/137.png,molecule,(2S)-2-methoxy-2-phenylacetic acid|(S)-(+)-alpha-Methoxyphenylacetic acid,COC(C1=CC=CC=C1)C(=O)O +138,images/138.png,molecule,"(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid|(R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid|(R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic...",COC(C1=CC=CC=C1)(C(=O)O)C(F)(F)F +139,images/139.png,molecule,"(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid|(S)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)ph...|(S)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid",COC(C1=CC=CC=C1)(C(=O)O)C(F)(F)F +140,images/140.png,molecule,"Proflavine|acridine-3,6-diamine",C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N +141,images/141.png,molecule,"3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine|AO HCl|Acridine Orange hydrochloride",CN(C)C1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)N(C)C +142,images/142.png,molecule,"2,7-dimethylacridine-3,6-diamine;hydrochloride|Acridine Yellow G",CC1=CC2=CC3=CC(=C(C=C3N=C2C=C1N)N)C.Cl +143,images/143.png,molecule,Acridine red|methyl-[6-(methylamino)xanthen-3-ylidene]azanium;chloride,CNC1=CC2=C(C=C1)C=C3C=CC(=[NH+]C)C=C3O2.[Cl-] +146,images/146.png,molecule,Pyronin G|Pyronin Y|[6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium;chloride,CN(C)C1=CC2=C(C=C1)C=C3C=CC(=[N+](C)C)C=C3O2.[Cl-] +149,images/149.png,molecule,(2S)-2-amino-3-phenylpropanamide|L-phenylalanine amide,C1=CC=C(C=C1)CC(C(=O)N)N +150,images/150.png,molecule,Pyronine b, +152,images/152.png,molecule,Rhodamine B|[9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium;chloride,CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.[Cl-] +155,images/155.png,molecule,D-Phe-Ala-methyl ester HCl|D-Phenylalanine methyl ester HCl|methyl (2R)-2-amino-3-phenylpropanoate;hydrochloride,COC(=O)C(CC1=CC=CC=C1)N.Cl +156,images/156.png,host,Cx4, +157,images/157.png,molecule,L-Phe-Ala-methyl ester HCl|L-Phenylalanine methyl ester hydrochloride|methyl (2S)-2-amino-3-phenylpropanoate;hydrochloride,COC(=O)C(CC1=CC=CC=C1)N.Cl +158,images/158.png,molecule,(2R)-2-phenylbutanoic acid|(R)-(-)-2-Phenylbutyric acid,CCC(C1=CC=CC=C1)C(=O)O +159,images/159.png,molecule,(2S)-2-phenylbutanoic acid|(S)-2-Phenylbutanoic acid,CCC(C1=CC=CC=C1)C(=O)O +160,images/160.png,molecule,Rhodamine 123|Rhodamine methylester chloride|methyl 2-(3-amino-6-iminoxanthen-9-yl)benzoate;hydrochloride,COC(=O)C1=CC=CC=C1C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N.Cl +161,images/161.png,molecule,2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate|Tetramethylrhodamine,CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=CC=CC=C4C(=O)[O-] +163,images/163.png,molecule,(3R)-3-phenylbutanoic acid|(R)-3-Phenylbutyric acid|(r)-3-phenylbutyric acid,CC(CC(=O)O)C1=CC=CC=C1 +164,images/164.png,molecule,"1',2',4,7-tetrachloro-3',6'-dihydroxy-4',5',7',8'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one|Tetrachlorotetraiodofluorescein",C1=CC(=C2C(=C1Cl)C(=O)OC23C4=C(C(=C(C(=C4Cl)Cl)O)I)OC5=C3C(=C(C(=C5I)O)I)I)Cl +165,images/165.png,host,heptakis-O-(2-hydroxypropyl)-β Cyclodextrin, +166,images/166.png,molecule,"Erythrosin B|disodium;2',4',5',7'-tetraiodo-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate",C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)[O-])I)I)[O-])I.[Na+].[Na+] +167,images/167.png,molecule,9-Hydroxyphenylfluoron, +168,images/168.png,molecule,(3S)-3-phenylbutanoic acid|(S)-3-Phenylbutyric acid|(s)-3-phenylbutyric acid,CC(CC(=O)O)C1=CC=CC=C1 +170,images/170.png,molecule,Methylene Blue|[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;chloride,CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-] +171,images/171.png,molecule,"8-N,8-N,3-trimethylphenazine-2,8-diamine;hydrochloride|Neutral red hydrochloride",CC1=CC2=NC3=C(C=C(C=C3)N(C)C)N=C2C=C1N.Cl +172,images/172.png,molecule,"3,7-dimethyl-10-phenylphenazin-10-ium-2,8-diamine;chloride|Safranine T",CC1=CC2=C(C=C1N)[N+](=C3C=C(C(=CC3=N2)C)N)C4=CC=CC=C4.[Cl-] +173,images/173.png,molecule,"(1R)-1-phenylethane-1,2-diol|(R)-(-)-1-Phenyl-1,2-ethanediol",C1=CC=C(C=C1)C(CO)O +174,images/174.png,molecule,"(1S)-1-phenylethane-1,2-diol|(S)-(+)-1-Phenyl-1,2-ethanediol",C1=CC=C(C=C1)C(CO)O +175,images/175.png,molecule,(2R)-2-hydroxy-3-phenylpropanoic acid|D-(+)-3-Phenyllactic acid,C1=CC=C(C=C1)CC(C(=O)O)O +176,images/176.png,molecule,(2S)-2-hydroxy-3-phenylpropanoic acid|(S)-(-)-3-Phenyllactic acid|(S)-3-Phenyllactic acid,C1=CC=C(C=C1)CC(C(=O)O)O +177,images/177.png,molecule,(2R)-2-phenylpropanoic acid|(R)-2-Phenylpropanoic acid,CC(C1=CC=CC=C1)C(=O)O +178,images/178.png,molecule,(2S)-2-phenylpropanoic acid|(S)-(+)-2-Phenylpropionic acid,CC(C1=CC=CC=C1)C(=O)O +179,images/179.png,molecule,Brilliant cresyl blue, +180,images/180.png,molecule,"(1R,2R,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol|(1R2R,3S,5R)-(-)-Pinanediol",CC1(C2CC1C(C(C2)O)(C)O)C +181,images/181.png,molecule,"(1S,2S,3R,5S)-(+)-Pinanediol|(1S,2S,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol",CC1(C2CC1C(C(C2)O)(C)O)C +182,images/182.png,molecule,Toluidine Blue, +183,images/183.png,molecule,(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride|(R)-(+)-Propranolol hydrochloride|(R)-Propranolol hydrochloride,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl +184,images/184.png,host,γ-CD, +185,images/185.png,molecule,(2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride|(S)-(-)-Propranolol hydrochloride|(S)-Propranolol hydrochloride,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl +186,images/186.png,molecule,New Methylene blue, +187,images/187.png,molecule,4-[2-(4-hydroxyphenyl)propan-2-yl]phenol|Bisphenol A,CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O +188,images/188.png,molecule,Auramine O, +189,images/189.png,host,α-CD, +190,images/190.png,molecule,(7-aminophenothiazin-3-ylidene)azanium;chloride|Thionin,C1=CC2=C(C=C1N)SC3=CC(=[NH2+])C=CC3=N2.[Cl-] +191,images/191.png,molecule,(7-aminophenothiazin-3-ylidene)-dimethylazanium;chloride|Azure A,C[N+](=C1C=CC2=NC3=C(C=C(C=C3)N)SC2=C1)C.[Cl-] +193,images/193.png,molecule,7-Methoxycoumarin, +195,images/195.png,molecule,"1-methyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyridin-1-ium;iodide|MPCP|Methyl pyridinium paracyclophane iodide",C[N+]1=CC=C(C=C1)C2=C3CCC4=CC=C(CCC(=C2)C=C3)C=C4.[I-] +196,images/196.png,molecule,1-Adamantanamine|Amantadine|adamantan-1-amine,C1C2CC3CC1CC(C2)(C3)N +197,images/197.png,molecule,2-(benzyloxy)acetaldehyde|2-phenylmethoxyacetaldehyde,C1=CC=C(C=C1)COCC=O +198,images/198.png,molecule,3-Bromo-1-propanol|3-bromopropan-1-ol,C(CO)CBr +199,images/199.png,molecule,2-(phenylmethoxycarbonylamino)acetic acid|N-CBZ-glycine|N-Carboxybenzyl-Glycine,C1=CC=C(C=C1)COC(=O)NCC(=O)O +200,images/200.png,molecule,(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoic acid|N-Carboxybenzyl-L-Serine|N-Cbz-L-Serine,C1=CC=C(C=C1)COC(=O)NC(CO)C(=O)O +201,images/201.png,molecule,Cyclohexanol|cyclohexanol,C1CCC(CC1)O +202,images/202.png,molecule,2-cyclohexylacetic acid|Cyclohexaneacetic acid,C1CCC(CC1)CC(=O)O +203,images/203.png,molecule,1-Methyl-3-phenylpropylamine|4-phenylbutan-2-amine,CC(CCC1=CC=CC=C1)N +204,images/204.png,molecule,4-Phenylbutylamine, +205,images/205.png,molecule,3-Phenylbutanoic acid|3-phenylbutanoic acid,CC(CC(=O)O)C1=CC=CC=C1 +206,images/206.png,molecule,3-Phenylpropanoic acid|3-phenylpropanoic acid|Hydrocinnamic acid,C1=CC=C(C=C1)CCC(=O)O +207,images/207.png,molecule,3-Ethoxypropylamine|3-ethoxypropan-1-amine,CCOCCCN +208,images/208.png,molecule,2-(2-(2-(naphthalen-2-yloxy)ethoxy)ethoxy)ethan-1-ol|2-Hydroxynaphthalene-triethylene-glycol,OCCOCCOCCOC1=CC2=CC=CC=C2C=C1 +209,images/209.png,molecule,"Rocuronium|[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate",CC(=O)OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C +210,images/210.png,molecule,Tetramethylammonium|tetramethylazanium,C[N+](C)(C)C +213,images/213.png,molecule,"1-(naphthalen-2-yl)-45-(octaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87-tetratetracontayn-1-yl)pentatetracontaoxidane compound with dihydrogen (1:88)|2-Hydroxynaphthalene-polyethylene-glycol|2-Hydroxynaphthalene-polyethylene-glycol-polymer",OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC1=CC2=CC=CC=C2C=C1 +214,images/214.png,molecule,6-Methoxy-2-naphthol|6-methoxynaphthalen-2-ol,COC1=CC2=C(C=C1)C=C(C=C2)O +215,images/215.png,molecule,1-Hydroxynaphthalene|naphthalen-1-ol,C1=CC=C2C(=C1)C=CC=C2O +216,images/216.png,molecule,"2,3-Dihydroxynaphthalene|naphthalene-2,3-diol",C1=CC=C2C=C(C(=CC2=C1)O)O +217,images/217.png,molecule,3-Methoxy-2-naphthol, +218,images/218.png,molecule,"1,5-Dihydroxynaphthalene|naphthalene-1,5-diol",C1=CC2=C(C=CC=C2O)C(=C1)O +219,images/219.png,molecule,2-Chlorophenol|2-chlorophenol,C1=CC=C(C(=C1)O)Cl +220,images/220.png,molecule,"1,6-Dihydroxynaphthalene|naphthalene-1,6-diol",C1=CC2=C(C=CC(=C2)O)C(=C1)O +221,images/221.png,molecule,3-Chlorophenol, +222,images/222.png,molecule,"1,7-Dihydroxynaphthalene|naphthalene-1,7-diol",C1=CC2=C(C=C(C=C2)O)C(=C1)O +223,images/223.png,molecule,"(R)-N,N-Dimethyl-1-ferrocenylethylamine|cyclopenta-1,3-diene;(1R)-1-cyclopenta-1,3-dien-1-yl-N,N-dimethylethanamine;iron(2+)",CC(C1=CC=C[CH-]1)N(C)C.[CH-]1C=CC=C1.[Fe+2] +224,images/224.png,molecule,4-((4-(benzo[d]thiazol-2-yl)piperazin-1-yl)meth...|4-((4-(benzo[d]thiazol-2-yl)piperazin-1-yl)methyl)-7-methoxy-2H-chromen-2-one,COC1=CC=C2C(OC(C=C2CN3CCN(C4=NC(C=CC=C5)=C5S4)CC3)=O)=C1 +225,images/225.png,molecule,hethyl 5-(6-ethyl-4-Hydroxy-7-methoxy-2-oxo-2H-..., +226,images/226.png,molecule,"3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-ethyl...", +227,images/227.png,molecule,4-Hydroxy-7-methoxycoumarin, +229,images/229.png,host,sCx6-C5, +231,images/231.png,molecule,"2,3-Diazabicyclo(2.2.2)oct-2-ene|2,3-diazabicyclo[2.2.2]oct-2-ene",C1CC2CCC1N=N2 +232,images/232.png,molecule,"(S)-N,N-Dimethyl-1-ferrocenylethylamine|cyclopenta-1,3-diene;(1S)-1-cyclopenta-1,3-dien-1-yl-N,N-dimethylethanamine;iron(2+)",CC(C1=CC=C[CH-]1)N(C)C.[CH-]1C=CC=C1.[Fe+2] +233,images/233.png,molecule,Dibenzofuran-polyethylene-glycol, +234,images/234.png,molecule,Azobenzene-polyethylene-glycol, +235,images/235.png,molecule,Biphenyl-polyethylene glycol, +236,images/236.png,molecule,Anthracene-polyethylene-glycol, +237,images/237.png,host,[2.1.1]Cryptand, +238,images/238.png,molecule,Li+|Lithium ion|lithium(1+),[Li+] +239,images/239.png,molecule,Basic blue 6, +240,images/240.png,host,Mono[2-O-(2-hydroxypropyl)]-β-CD, +241,images/241.png,host,2-HE-β-CD, +242,images/242.png,host,"heptakis(2,6-di-methyl)-β-Cyclodextrine", +245,images/245.png,host,Mono(6-O-a-maltosyl)-β-CD, +246,images/246.png,molecule,Fluorenyl-polyethylene-glycol|Fluorenyl-polyethylene-glycol-polymer,O=C(NC1=CC=C2C3=CC=CC=C3CC2=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC +247,images/247.png,molecule,"2,6-TNS|6-(p-toluidino)-2-naphthalenesulfonic acid sodium salt|sodium;6-(4-methylanilino)naphthalene-2-sulfonate",CC1=CC=C(C=C1)NC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)[O-].[Na+] +248,images/248.png,molecule,"1,8-ANS|8-(phenylamino)naphthalene-1-sulfonic acid|8-anilinonaphthalene-1-sulfonic acid",C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)O +250,images/250.png,molecule,Dibenzofuran-polyethylene-glycol 2|Dibenzofuran-polyethylene-glycol-polymer-2,O=C(NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCOCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC +251,images/251.png,host,6-O-alpha-D-glucosyl-β-CD, +253,images/253.png,molecule,1-Naphthyl-polyethylene-glycol-polymer,O=C(NC1=CC=CC2=CC=CC=C21)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC +254,images/254.png,molecule,Biphenyl-Polyethylene-Glycol-Polymer-2|Biphenyl-polyethylene-glycol 2,O=C(NC1=CC=C(C=C1)C2=CC=CC=C2)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC +255,images/255.png,host,sCx6-C8, +256,images/256.png,host,sCx6-C4, +257,images/257.png,molecule,"(7-aminophenoxazin-3-ylidene)azanium;chloride|3,7-Diaminophenoxazinylium chloride",C1=CC2=C(C=C1N)OC3=CC(=[NH2+])C=CC3=N2.[Cl-] +258,images/258.png,molecule,Pyrenyl-polyethylene-glycol|Pyrenyl-polyethylene-glycol-polymer,O=C(NC1=CC=C2C3=C1C=CC4=C3C(C=C2)=CC=C4)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC +259,images/259.png,molecule,Pyronine,NC1=CC=C2C([O+]=C(C=C(N)C=C3)C3=C2)=C1 +260,images/260.png,molecule,Azobenzene-polyethylene-glycol 2|Azobenzene-polyethylene-glycol-polymer-2,O=C(NC1=CC=C(C=C1)/N=N/C2=CC=CC=C2)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC +261,images/261.png,molecule,Benzothiazole-polyethylene-glycol-polymer,O=C(NC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC +264,images/264.png,molecule,N-(9-(2-((benzyloxy)carbonyl)phenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)-N-ethylethanaminium|Rhodamine B benzyl ester,O=C(OCC1=CC=CC=C1)C2=CC=CC=C2C(C3=CC=C(N(CC)CC)C=C3O4)=C(C=C/5)C4=CC5=[N+](CC)\CC +265,images/265.png,molecule,"Rhodamine 6G|[9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium;chloride",CCNC1=C(C=C2C(=C1)OC3=CC(=[NH+]CC)C(=CC3=C2C4=CC=CC=C4C(=O)OCC)C)C.[Cl-] +266,images/266.png,molecule,Rhodamine 800, +267,images/267.png,molecule,Butyl Rhodamine B,O=C(OCCCC)C1=CC=CC=C1C(C2=CC=C(N(CC)CC)C=C2O3)=C(C=C/4)C3=CC4=[N+](CC)\CC +268,images/268.png,host,"6,6,19,19-tetramethyl-12,13,25,26-tetraoxo-2,6,...", +269,images/269.png,molecule,"Fluorescein disodium salt|Uranine|disodium;3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate",C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)[O-])OC5=C3C=CC(=C5)[O-].[Na+].[Na+] +270,images/270.png,molecule,Nile Blue chloride, +271,images/271.png,host,Cx4R-C11, +272,images/272.png,molecule,"1,1'-diphenyl-[4,4'-bipyridine]-1,1'-diium",C1([N+]2=CC=C(C3=CC=[N+](C4=CC=CC=C4)C=C3)C=C2)=CC=CC=C1 +273,images/273.png,molecule,"1,3-Benzodioxol-5-ol|1,3-benzodioxol-5-ol|Sesamol",C1OC2=C(O1)C=C(C=C2)O +274,images/274.png,molecule,Benzamide|benzamide,C1=CC=C(C=C1)C(=O)N +275,images/275.png,molecule,4-Chlorophenol|4-chlorophenol,C1=CC(=CC=C1O)Cl +276,images/276.png,molecule,4-Bromophenol|4-bromophenol,C1=CC(=CC=C1O)Br +277,images/277.png,molecule,4-Fluorophenol|4-fluorophenol,C1=CC(=CC=C1O)F +278,images/278.png,molecule,3-Methoxyphenol|3-methoxyphenol,COC1=CC=CC(=C1)O +279,images/279.png,molecule,4-Methoxyphenol|4-methoxyphenol,COC1=CC=C(C=C1)O +280,images/280.png,molecule,3-Cyanophenol|3-hydroxybenzonitrile,C1=CC(=CC(=C1)O)C#N +281,images/281.png,molecule,"3,5-dimethyladamantan-1-amine|Memantine",CC12CC3CC(C1)(CC(C3)(C2)N)C +282,images/282.png,molecule,"3,4-Dihydroxybenzylamine hydrochloride|4-(aminomethyl)benzene-1,2-diol;hydrochloride",C1=CC(=C(C=C1CN)O)O.Cl +283,images/283.png,molecule,"1,3-Bis(trimethylaminio)adamantane|Bis(trimethylaminio)adamantane|trimethyl-[3-(trimethylazaniumyl)-1-adamantyl]azanium",C[N+](C)(C)C12CC3CC(C1)CC(C3)(C2)[N+](C)(C)C +286,images/286.png,molecule,"1,3-Phenylenediamine|benzene-1,3-diamine|m-Phenylenediamine",C1=CC(=CC(=C1)N)N +290,images/290.png,molecule,4-Methylaniline|4-methylaniline|p-Toluidine,CC1=CC=C(C=C1)N +293,images/293.png,molecule,"3-trimethylsilylpropionic -2,2,3,3-d4-acid|TMSP-d4",C[Si](C)(C)CCC(=O)O +295,images/295.png,molecule,"1,6-Hexanediamine|Hexamethylenediamine|hexane-1,6-diamine",C(CCCN)CCN +297,images/297.png,molecule,1-Adamantanecarboxylic acid|adamantane-1-carboxylic acid,C1C2CC3CC1CC(C2)(C3)C(=O)O +298,images/298.png,molecule,(Aminomethyl)trimethylsilane|trimethylsilylmethanamine,C[Si](C)(C)CN +302,images/302.png,molecule,1-(1-Adamantyl)pyridinium bromide|1-(1-adamantyl)pyridin-1-ium;bromide|1-Adamantylpyridinium bromide,C1C2CC3CC1CC(C2)(C3)[N+]4=CC=CC=C4.[Br-] +304,images/304.png,molecule,Doxylamine, +305,images/305.png,molecule,5-((4-aminobutyl)amino)naphthalene-1-sulfonate|5-(aminobutyl)amino)naphthalene-1-sulfonate, +306,images/306.png,molecule,methane,C +307,images/307.png,molecule,ethane,CC +308,images/308.png,molecule,Ethene|ethene,C=C +309,images/309.png,molecule,Acetylene|Ethyne|acetylene,C#C +310,images/310.png,molecule,Propane|propane,CCC +311,images/311.png,molecule,"1,1,1,2,2,3,3,3-octadeuteriopropane|Propane-d8",CCC +312,images/312.png,molecule,Propylene|prop-1-ene|propene,CC=C +313,images/313.png,molecule,butane|n-Butane,CCCC +314,images/314.png,molecule,1-Butene|but-1-ene,CCC=C +315,images/315.png,molecule,(Z)-but-2-ene|cis-2-Butene,CC=CC +316,images/316.png,molecule,(E)-but-2-ene|trans-2-Butene,CC=CC +317,images/317.png,molecule,2-methylprop-1-ene|Isobutene,CC(=C)C +318,images/318.png,molecule,Phenylephrine, +319,images/319.png,molecule,(+)-Pseudoephedrine, +320,images/320.png,molecule,Acetaminophen|N-(4-hydroxyphenyl)acetamide|Paracetamol,CC(=O)NC1=CC=C(C=C1)O +321,images/321.png,molecule,2-Methylpropane|2-methylpropane|Isobutane,CC(C)C +322,images/322.png,molecule,2-(1H-imidazol-5-yl)ethanamine|Histamine,C1=C(NC=N1)CCN +323,images/323.png,molecule,Famotidine, +325,images/325.png,molecule,"(E)-1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine|Ranitidine",CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C +327,images/327.png,molecule,Cimetidine, +328,images/328.png,molecule,Nizatidine, +331,images/331.png,host,Octa-(6-O-(1-ethoxypropan-2-ol))-γ-CD, +333,images/333.png,molecule,Osthole, +334,images/334.png,molecule,Pentane|pentane,CCCCC +335,images/335.png,molecule,2-Methylbutane|2-methylbutane|Isopentane,CCC(C)C +336,images/336.png,molecule,"2,2-Dimethylpropane|2,2-dimethylpropane|Neopentane",CC(C)(C)C +337,images/337.png,molecule,Cyclopentane|cyclopentane,C1CCCC1 +338,images/338.png,molecule,"2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium|Palmatine",COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC +339,images/339.png,molecule,"2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium|Dehydrocorydaline",CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC +342,images/342.png,molecule,4-Cyanophenol|4-hydroxybenzonitrile,C1=CC(=CC=C1C#N)O +343,images/343.png,molecule,2-Cyanophenol|2-hydroxybenzonitrile,C1=CC=C(C(=C1)C#N)O +344,images/344.png,molecule,"1,3-Dihydroxybenzene|Resorcinol|benzene-1,3-diol",C1=CC(=CC(=C1)O)O +349,images/349.png,molecule,"1,1'-bis(4-cyanophenyl)-[4,4'-bipyridine]-1,1'-...|1,1'-bis(4-cyanophenyl)-[4,4'-bipyridine]-1,1'-diium",N#CC1=CC=C([N+]2=CC=C(C3=CC=[N+](C4=CC=C(C#N)C=C4)C=C3)C=C2)C=C1 +350,images/350.png,molecule,"1,1'-di-p-tolyl-[4,4'-bipyridine]-1,1'-diium", +351,images/351.png,molecule,"1,1'-bis(4-methoxyphenyl)-[4,4'-bipyridine]-1,1'-diium|1,1'-bis(4-methoxyphenyl)-[4,4'-bipyridine]-1,1...",COC1=CC=C([N+]2=CC=C(C3=CC=[N+](C4=CC=C(OC)C=C4)C=C3)C=C2)C=C1 +352,images/352.png,molecule,"1,1'-bis(4-(ethoxycarbonyl)phenyl)-[4,4'-bipyri...", +353,images/353.png,molecule,"1,1'-bis(4-aminophenyl)-[4,4'-bipyridine]-1,1'-...", +354,images/354.png,molecule,"1,1'-bis(4-nitrophenyl)-[4,4'-bipyridine]-1,1'-...", +359,images/359.png,host,Triphenylene receptor, +360,images/360.png,molecule,2-acetyloxyethyl(trimethyl)azanium|ACh|Acetylcholine,CC(=O)OCC[N+](C)(C)C +361,images/361.png,molecule,Benzyltrimethylammonium|benzyl(trimethyl)azanium,C[N+](C)(C)CC1=CC=CC=C1 +362,images/362.png,molecule,Benzyltriethylammonium|benzyl(triethyl)azanium,CC[N+](CC)(CC)CC1=CC=CC=C1 +363,images/363.png,molecule,Phenethylammonium, +364,images/364.png,molecule,"4-(2-aminoethyl)benzene-1,2-diol|Dopamine",C1=CC(=C(C=C1CCN)O)O +365,images/365.png,molecule,"4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol|L-Noradrenaline",C1=CC(=C(C=C1C(CN)O)O)O +367,images/367.png,molecule,(-)-ephedrine, +369,images/369.png,host,"Cyclobis(paraquat-1,4-phenylene) tetrakis(hexaf...", +370,images/370.png,molecule,4-(2-aminoethyl)phenol|Tyramine,C1=CC(=CC=C1CCN)O +372,images/372.png,molecule,"L-3,4-Dihydroxyphenylalanine", +374,images/374.png,molecule,"(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol|D-Glucosamine",C(C1C(C(C(C(O1)O)N)O)O)O +375,images/375.png,molecule,"(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol|D-Glucose",C(C1C(C(C(C(O1)O)O)O)O)O +376,images/376.png,molecule,D-Fructose, +377,images/377.png,molecule,D-Cellobiose, +378,images/378.png,molecule,"(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one|Vitamin C",C(C(C1C(=C(C(=O)O1)O)O)O)O +379,images/379.png,molecule,"Phloroglucinol|benzene-1,3,5-triol",C1=C(C=C(C=C1O)O)O +380,images/380.png,host,[2.2.2]Cryptand, +382,images/382.png,molecule,1-(hydroxymethyl)-ferrocene|cyclopentane;cyclopentylmethanol;iron,[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C]([CH]1)CO.[Fe] +384,images/384.png,host,"Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(ox...", +386,images/386.png,molecule,"1,1,1,2,3,3,3-heptadeuterio-2-(trideuteriomethyl)propane|Isobutane-d10",CC(C)C +387,images/387.png,molecule,Hexane|hexane|n-Hexane,CCCCCC +388,images/388.png,molecule,2-Methylpentane|2-methylpentane|Isohexane,CCCC(C)C +389,images/389.png,molecule,"2,3-Dimethylbutane|2,3-dimethylbutane",CC(C)C(C)C +390,images/390.png,molecule,Cyclohexane|cyclohexane,C1CCCCC1 +391,images/391.png,molecule,Heptane|heptane|n-Heptane,CCCCCCC +393,images/393.png,molecule,5-Methoxyindole|5-methoxy-1H-indole,COC1=CC2=C(C=C1)NC=C2 +394,images/394.png,molecule,2-(1H-indol-3-yl)ethanol|Tryptophol,C1=CC=C2C(=C1)C(=CN2)CCO +395,images/395.png,molecule,2-Methoxyphenol|2-methoxyphenol,COC1=CC=CC=C1O +396,images/396.png,molecule,"(E)-4,4'-(ethene-1,2-diyl)bis(1-methylpyridin-1-ium)|MVE|N,N’-Dimethyl-1,2-bis-(4-pyridinium)- ethylene",C[N+](C=C1)=CC=C1/C=C/C2=CC=[N+](C)C=C2 +397,images/397.png,molecule,1-methyl-3-[[6-[(3-methylimidazol-3-ium-1-yl)me...|1-methyl-3-[[6-[(3-methylimidazol-3-ium-1-yl)methyl]naphthalen-2-yl]methyl]imidazol-1-ium,C[N+]1=CN(C=C1)CC2=CC3=C(C=C2)C=C(C=C3)CN4C=C[N+](=C4)C +398,images/398.png,molecule,"1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane|Eucalyptol",CC1(C2CCC(O1)(CC2)C)C +399,images/399.png,molecule,"(2E)-3,7-dimethylocta-2,6-dien-1-amine|Geranylamine",CC(=CCCC(=CCN)C)C +400,images/400.png,molecule,"1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol|Fenchol",CC1(C2CCC(C2)(C1O)C)C +402,images/402.png,molecule,1-methyl-3-[[4-[(3-methylimidazol-3-ium-1-yl)me...|1-methyl-3-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium,C[N+]1=CN(C=C1)CC2=CC=C(C=C2)CN3C=C[N+](=C3)C +403,images/403.png,molecule,1-methyl-3-[[4-[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]phenyl]methyl]imidazol-1-ium|1-methyl-3-[[4-[4-[(3-methylimidazol-3-ium-1-yl...,C[N+]1=CN(C=C1)CC2=CC=C(C=C2)C3=CC=C(C=C3)CN4C=C[N+](=C4)C +404,images/404.png,molecule,"5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaene|Coptisine",C1C[N+]2=C(C=C3C=CC4=C(C3=C2)OCO4)C5=CC6=C(C=C51)OCO6 +405,images/405.png,molecule,Coralyne chloride, +406,images/406.png,host,CB5, +407,images/407.png,molecule,"24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(24),2,4(8),9,11,13,15,17(21),22-nonaene|Sanguinarine",C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6 +408,images/408.png,molecule,"2,6-ANS|6-Phenylamino-naphthalene-2-sulfonic acid anion|6-anilinonaphthalene-2-sulfonate",C1=CC=C(C=C1)NC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)[O-] +409,images/409.png,molecule,Prodan, +410,images/410.png,molecule,"(R)-Binaphthalene-diol|(R)-[1,1′-binaphthalene]-2,2′-diols|1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol",C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O +411,images/411.png,molecule,2-Aminoanthracene|anthracen-2-amine,C1=CC=C2C=C3C=C(C=CC3=CC2=C1)N +412,images/412.png,molecule,"Pyranine|trisodium;8-hydroxypyrene-1,3,6-trisulfonate",C1=CC2=C3C(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC4=C(C=C(C1=C43)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+] +414,images/414.png,molecule,"7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene|Diquat",C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31 +415,images/415.png,molecule,"7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione|Lumichrome",CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3 +416,images/416.png,molecule,2-Phenoxathiin-2-ylquinoxaline, +417,images/417.png,molecule,"(Ferrocen-1-yl)methyltrimethylammonium|cyclopenta-1,3-diene;cyclopenta-1,4-dien-1-ylmethyl(trimethyl)azanium;iron(2+);iodide",C[N+](C)(C)CC1=C[CH-]C=C1.[CH-]1C=CC=C1.[Fe+2].[I-] +419,images/419.png,molecule,"Bicyclo[2.2.2]octane-1,4-diyldimethanol|[4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol",C1CC2(CCC1(CC2)CO)CO +421,images/421.png,host,Sugammadex, +423,images/423.png,molecule,"N-[[4-[[3-(dimethylamino)propylamino]methyl]-1-bicyclo[2.2.2]octanyl]methyl]-N',N'-dimethylpropane-1,3-diamine|N1,N1'-(bicyclo[2.2.2]octane-1,4-diylbis(methyl...|N1,N1'-(bicyclo[2.2.2]octane-1,4-diylbis(methylene))bis(N3,N3-dimethylpropane-1,3-diamine)",CN(C)CCCNCC12CCC(CC1)(CC2)CNCCCN(C)C +424,images/424.png,host,"Acyclic (sodium 3,3'-(1,4-phenylenebis(oxy))bis...", +425,images/425.png,molecule,1-Adamantylammonium|1-Adamantylazanium|1-adamantylazanium,C1C2CC3CC1CC(C2)(C3)[NH3+] +426,images/426.png,molecule,"2-[2,3-bis[2-(diethylamino)ethoxy]phenoxy]-N,N-diethylethanamine|Gallamine",CCN(CC)CCOC1=C(C(=CC=C1)OCCN(CC)CC)OCCN(CC)CC +427,images/427.png,host,"Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(b...", +428,images/428.png,molecule,"3,6-Diaminoacridin-10-ium|3,6-diaminoacridin-10-ium|Proflavine",NC1=CC2=[NH+]C3=CC(N)=CC=C3C=C2C=C1 +429,images/429.png,molecule,Tubocurarine, +430,images/430.png,molecule,"5-[3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate|Cisatracurium",C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C +431,images/431.png,molecule,"(1R,4R)-cyclohexane-1,4-diamine|1,4‐diaminocyclohexane|cyclohexane-1,4-diamine",C1CC(CCC1N)N +432,images/432.png,molecule,Phenoxathiine-3-carbaldehyde,O=CC1=CC2=C(C=C1)SC3=CC=CC=C3O2 +433,images/433.png,molecule,1-(Phenoxathiin-3-yl)ethan-1-one, +434,images/434.png,molecule,Phenoxathiine-3-carboxylic acid|phenoxathiine-3-carboxylic acid,O=C(C1=CC2=C(C=C1)SC3=CC=CC=C3O2)O +439,images/439.png,molecule,4-(5-(4-(dimethylamino)phenyl)oxazol-2-yl)benzenesulfonate|Dapoxyl,CN(C)C(C=C1)=CC=C1C2=CN=C(C3=CC=C(S(=O)([O-])=O)C=C3)O2 +440,images/440.png,molecule,4-(dimethylamino)benzonitrile|4-DMABN,CN(C)C1=CC=C(C=C1)C#N +442,images/442.png,molecule,"2,2'-(1,3,6,8-tetraoxo-1,2,3,6,7,8-hexahydropyrene-2,7-diyl)bis(N,N,N-trimethylethan-1-aminium)|2,7-bis(2-(trimethyl-azaneyl)ethyl)pyrene-1,3,6,8(2H,7H)-tetraone|2,7-bis(2-(trimethyl-azaneyl)ethyl)pyrene-1,3,6...",O=C(C(CC[N+](C)(C)C)C1=O)C2=CC=C3C4=C2C1=CC=C4C(C(CC[N+](C)(C)C)C3=O)=O +444,images/444.png,molecule,3-hydroxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide|Tropicamide (protonated),CCN(C(C(C1=CC=CC=C1)CO)=O)CC2=CC=[NH+]C=C2 +445,images/445.png,molecule,Xe|Xenon|xenon,[Xe] +446,images/446.png,host,Cryptophane-A acid, +447,images/447.png,molecule,Acetone|propan-2-one,CC(=O)C +448,images/448.png,molecule,Diethyl ether|Diethylether|ethoxyethane,CCOCC +449,images/449.png,molecule,Acetonitrile|acetonitrile,CC#N +450,images/450.png,molecule,Tetrahydrofuran|oxolane,C1CCOC1 +451,images/451.png,host,Dodecakis(3‐carboxypropyl)bambus[6]uril, +452,images/452.png,host,Dodeca(3-methoxycarbonylpropyl)bambus[6]uril, +454,images/454.png,host,Dodecakis(5‐carboxypentyl)bambus[6]uril, +455,images/455.png,molecule,"4,4'-(cyclopent-1-ene-1,2-diylbis(5-methylthiophene-4,2-diyl))bis(1-methylpyridin-1-ium)|bis(dimethylpyridinium)diarylethene (open form)",C[N+]1=CC=C(C2=CC(C3=C(C4=C(C)SC(C(C=C5)=CC=[N+]5C)=C4)CCC3)=C(C)S2)C=C1 +456,images/456.png,molecule,"4,4'-((9aR,9bR)-9a,9b-dimethyl-5,6,9a,9b-tetrahydro-4H-indeno[5,4-b:6,7-b']dithiophene-2,8-diyl)bis(1-methylpyridin-1-ium)|bis(dimethylpyridinium)diarylethene (closed form)",C[C@@]12C(C=C(C3=CC=[N+](C)C=C3)S2)=C4C(CCC4)=C5[C@@]1(C)SC(C6=CC=[N+](C)C=C6)=C5 +459,images/459.png,molecule,"3,5-Dimethyladamantan-1-aminium", +460,images/460.png,molecule,3-Hydroxyadamantan-1-aminium, +462,images/462.png,molecule,"(Trimethylamino)methyl)ferrocene|[(trimethylammonio)methyl]ferrocene|cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethyl(trimethyl)azanium;iron(2+)",C[N+](C)(C)CC1=CC=C[CH-]1.[CH-]1C=CC=C1.[Fe+2] +463,images/463.png,molecule,"((Dimethylamino)methyl)ferrocene|cyclopenta-1,3-diene;1-cyclopenta-1,3-dien-1-yl-N,N-dimethylmethanamine;iron(2+)",CN(C)CC1=CC=C[CH-]1.[CH-]1C=CC=C1.[Fe+2] +466,images/466.png,host,semithio-Bambus[6]uril, +467,images/467.png,molecule,Chloride anion|Cl-|chloride,[Cl-] +468,images/468.png,molecule,Br-|Bromide ion|bromide,[Br-] +470,images/470.png,molecule,I-|Iodide anion|iodide,[I-] +472,images/472.png,molecule,Tetrafluoroborate|tetrafluoroborate,[B-](F)(F)(F)F +473,images/473.png,host,Me12BU, +474,images/474.png,molecule,Tetramethylammonium iodide|tetramethylazanium;iodide,C[N+](C)(C)C.[I-] +476,images/476.png,molecule,"1,2-Phenylenediamine|benzene-1,2-diamine",C1=CC=C(C(=C1)N)N +481,images/481.png,host,Dodeca(4-carboxybenzyl)bambus[6]uril, +483,images/483.png,molecule,"3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride|Chlorpromazine hydrochloride",CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl +484,images/484.png,molecule,2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide;hydrochloride|Cinchocaine hydrochloride|Dibucaine hydrochloride,CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC.Cl +485,images/485.png,molecule,2-(dimethylamino)ethyl 4-(butylamino)benzoate;hydrochloride|Tetracaine hydrochloride,CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C.Cl +486,images/486.png,molecule,Valethamate bromide|diethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium;bromide,CCC(C)C(C1=CC=CC=C1)C(=O)OCC[N+](C)(CC)CC.[Br-] +487,images/487.png,molecule,2-(diethylamino)ethyl 4-aminobenzoate;hydrochloride|Procaine hydrochloride,CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.Cl +488,images/488.png,molecule,NO3-|Nitrate ion|nitrate,[N+](=O)([O-])[O-] +489,images/489.png,molecule,Perchlorate|Perchlorate ion|perchlorate,[O-]Cl(=O)(=O)=O +491,images/491.png,host,Cyclohexanohemi cucurbit[8]uril, +493,images/493.png,molecule,Hexafluorophosphate|Phosphorus hexafluoride ion|hexafluorophosphate,F[P-](F)(F)(F)(F)F +494,images/494.png,molecule,Sodium hexafluoroantimonate, +495,images/495.png,molecule,Tetrabutylammonium hexafluorophosphate, +496,images/496.png,molecule,Sodium hexafluorophosphate|sodium;hexafluorophosphate,F[P-](F)(F)(F)(F)F.[Na+] +497,images/497.png,molecule,Tetrabutylammonium perrhenate, +498,images/498.png,molecule,Sodium periodate, +499,images/499.png,molecule,Tetrabutylammonium perchlorate, +500,images/500.png,molecule,Tetrabutylammonium tetrafluoroborate|tetrabutylazanium;tetrafluoroborate,[B-](F)(F)(F)F.CCCC[N+](CCCC)(CCCC)CCCC +501,images/501.png,molecule,Tetrabutylammonium trifluoromethanesulfonate|tetrabutylazanium;trifluoromethanesulfonate,CCCC[N+](CCCC)(CCCC)CCCC.C(F)(F)(F)S(=O)(=O)[O-] +502,images/502.png,molecule,Tetrabutylammonium trifluoroacetate, +503,images/503.png,molecule,bis(Trimethylamminomethyl)ferrocene,C[N+](C)(Cc1cccc1)C.C[N+](C)(Cc2cccc2)C.[Fe] +504,images/504.png,molecule,Cyclohexylmethanaminium|cyclohexylmethylazanium,C1CCC(CC1)C[NH3+] +505,images/505.png,molecule,"1,6-Hexandiammonium|6-Azaniumylhexylazanium|6-azaniumylhexylazanium",C(CCC[NH3+])CC[NH3+] +506,images/506.png,molecule,Cyclopentanone|cyclopentanone,C1CCC(=O)C1 +508,images/508.png,molecule,3-azaniumylpropyl-[4-(3-azaniumylpropylazaniumyl)butyl]azanium|Spermine (fully protonated form),C(CC[NH2+]CCC[NH3+])C[NH2+]CCC[NH3+] +509,images/509.png,molecule,"N1,N1'-(hexane-1,6-diyl)bis(ethane-1,2-diaminium)|bis(aminoethyl)-1,6-hexane-diammonium",[NH3+]CC[NH2+]CCCCCC[NH2+]CC[NH3+] +510,images/510.png,molecule,Benzoic acid|benzoic acid,C1=CC=C(C=C1)C(=O)O +511,images/511.png,molecule,4-Methylbenzoic acid|4-methylbenzoic acid|p-Toluic acid,CC1=CC=C(C=C1)C(=O)O +512,images/512.png,molecule,4-Ethylbenzoic acid, +513,images/513.png,molecule,4-Chlorobenzoic acid|4-chlorobenzoic acid,C1=CC(=CC=C1C(=O)O)Cl +514,images/514.png,molecule,3-Chlorobenzoic acid, +518,images/518.png,host,Octa acid, +519,images/519.png,molecule,"2,3-Diazabicyclo[2.2.1]-hept-2-ene|2,3-diazabicyclo[2.2.1]hept-2-ene",C1CC2CC1N=N2 +520,images/520.png,molecule,"6,7-diazabicyclo(3.2.2)non-6-ene|6,7-diazabicyclo[3.2.2]non-6-ene",C1CC2CCC(C1)N=N2 +521,images/521.png,molecule,"1,7,7-trimethylbicyclo[2.2.1]heptan-2-one|Camphor",CC1(C2CCC1(C(=O)C2)C)C +525,images/525.png,molecule,4-methylcyclohexane-1-carboxylic acid|trans-4-Methylcyclohexane carboxylic acid,CC1CCC(CC1)C(=O)O +529,images/529.png,molecule,"1,10-Phenanthroline|1,10-phenanthroline",C12=C(N=CC=C3)C3=CC=C1C=CC=N2 +530,images/530.png,molecule,"4,7-Dimethyl-1,10-phenanthroline|4,7-dimethyl-1,10-phenanthroline",CC1=CC=NC2=C(N=CC=C3C)C3=CC=C21 +531,images/531.png,host,Adamantylurea-functionalized dendrimer 1, +532,images/532.png,host,Adamantylurea-functionalized dendrimer 2, +533,images/533.png,molecule,"((6-((3,4,5-tris(dodecyloxy)benzoyl)oxy)hexyl)c...", +534,images/534.png,molecule,"((3-(6-((3,4,5-tris(dodecyloxy)benzoyl)oxy)hexy...", +535,images/535.png,molecule,6-(3-(((pyridin-2-yl-l3-oxidaneyl)sulfonyl)meth..., +536,images/536.png,molecule,"10-((pyridin-2-yl-l3-oxidaneyl)sulfonyl)decyl 3,4,5-tris(dodecyloxy)benzoate|10-((pyridin-2-yl-l3-oxidaneyl)sulfonyl)decyl 3...",O=C(OCCCCCCCCCCS(=O)([O-])=O)C1=CC(OCCCCCCCCCCCC)=C(OCCCCCCCCCCCC)C(OCCCCCCCCCCCC)=C1.C2=CC=CC=[NH+]2 +537,images/537.png,molecule,"(10-((3,4,5-tris(dodecyloxy)benzoyl)oxy)decyl)p...|(10-((3,4,5-tris(dodecyloxy)benzoyl)oxy)decyl)phosphonic acid",O=C(OCCCCCCCCCCP(O)(O)=O)C1=CC(OCCCCCCCCCCCC)=C(OCCCCCCCCCCCC)C(OCCCCCCCCCCCC)=C1 +538,images/538.png,molecule,"10-Carboxydecyl 3,4,5-tris-dodecyloxybenzoate", +539,images/539.png,host,Mono(6-amino-6-deoxy)-β-Cyclodextrin, +540,images/540.png,host,Mono(6-carboxymethylamino-6-deoxy)-β-CD, +541,images/541.png,host,Mono[6(1-hydroxymethylpropylamino)-6-deoxy)]-β-CD, +542,images/542.png,molecule,"Cholic acid, monosodium salt|Sodium cholate|sodium;(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate",CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+] +543,images/543.png,molecule,"Sodium glycocholate|sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate",CC(CCC(=O)NCC(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+] +544,images/544.png,molecule,"Sodium deoxycholate|sodium;(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate",CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.[Na+] +545,images/545.png,molecule,"Sodium taurocholate|sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate",CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+] +546,images/546.png,host,HMe-CB7, +547,images/547.png,molecule,(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid|Melphalan,C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl +548,images/548.png,molecule,Na+|Sodium cation|sodium(1+),[Na+] +550,images/550.png,molecule,N-(furan-2-ylmethyl)prop-2-en-1-amine,C=CCNCC1=CC=CO1 +551,images/551.png,molecule,N-((5-bromofuran-2-yl)methyl)prop-2-en-1-amine,C=CCNCC1=CC=C(Br)O1 +552,images/552.png,molecule,N-((5-chlorofuran-2-yl)methyl)prop-2-en-1-amine,C=CCNCC1=CC=C(Cl)O1 +553,images/553.png,molecule,N-((5-methylfuran-2-yl)methyl)prop-2-en-1-amine,C=CCNCC1=CC=C(C)O1 +554,images/554.png,molecule,N-(furan-2-ylmethyl)propan-1-amine|N-(furanylmethyl)propanamine,CCCNCC1=CC=CO1 +555,images/555.png,molecule,"1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole",C12C=CC3(O2)CNCC3C1 +556,images/556.png,molecule,"6-bromo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole",BrC12C=CC3(O2)CNCC3C1 +557,images/557.png,molecule,"6-chloro-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoin...|6-chloro-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole",ClC12C=CC3(O2)CNCC3C1 +558,images/558.png,molecule,"6-methyl-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoin...|6-methyl-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole",CC12C=CC3(O2)CNCC3C1 +559,images/559.png,molecule,Isodoxa, +560,images/560.png,molecule,Tetramethyl-4-(methylamino)cyclohexanone, +564,images/564.png,molecule,4-(Aminomethyl)pyridine|Pyridin-4-ylmethanamine|pyridin-4-ylmethanamine,C1=CN=CC=C1CN +565,images/565.png,molecule,"1,4-Phenylenediamine|benzene-1,4-diamine|p-Phenylenediamine",C1=CC(=CC=C1N)N +566,images/566.png,molecule,"4,6-bis[4-(aminomethyl)anilino]-1H-1,3,5-triazin-2-one|Bis(aminomethyl)anilino-1H-1,3,5-triazin-2-one",C1=CC(=CC=C1CN)NC2=NC(=NC(=O)N2)NC3=CC=C(C=C3)CN +567,images/567.png,molecule,Pyrene|pyrene,C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2 +568,images/568.png,host,Macrobicyclic cyclophane, +569,images/569.png,molecule,Dimethyl-(4-methylphenyl)sulfanium|dimethyl-(4-methylphenyl)sulfanium,CC1=CC=C(C=C1)[S+](C)C +570,images/570.png,molecule,"Adamantane-1,3-diamine|adamantane-1,3-diamine",C1C2CC3(CC1CC(C2)(C3)N)N +571,images/571.png,molecule,P-Xylylenediamine|[4-(aminomethyl)phenyl]methanamine,C1=CC(=CC=C1CN)CN +572,images/572.png,molecule,1-Adamantyl(trimethyl)ammonium|1-adamantyl(trimethyl)azanium|Adamantan-1-yl-trimethyl-ammonium,C[N+](C)(C)C12CC3CC(C1)CC(C3)C2 +573,images/573.png,molecule,"(2E)-3,7-dimethylocta-2,6-dien-1-ol|Geraniol",CC(=CCCC(=CCO)C)C +575,images/575.png,molecule,DAPI 2H+|[Amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium|[amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium,C1=CC(=CC=C1C2=CC3=C(N2)C=C(C=C3)C(=[NH2+])N)C(=[NH2+])N +576,images/576.png,molecule,"6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane|beta-Pinene",CC1(C2CCC(=C)C1C2)C +577,images/577.png,molecule,"1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol|Borneol",CC1(C2CCC1(C(C2)O)C)C +578,images/578.png,molecule,Dodecane-trimethylamine|dodecyl(trimethyl)azanium,CCCCCCCCCCCC[N+](C)(C)C +579,images/579.png,host,Tetrahydropyridazinophthalazine-tetraone-CB6, +581,images/581.png,molecule,"1,4-Diaminobutane", +582,images/582.png,molecule,"Cadaverine|Pentane-1,5-diamine|pentane-1,5-diamine",C(CCN)CCN +583,images/583.png,molecule,"1,7-Diaminoheptane|heptane-1,7-diamine",C(CCCN)CCCN +584,images/584.png,molecule,"1,8-Diaminooctane", +585,images/585.png,molecule,"1,9-Diaminononane|nonane-1,9-diamine",C(CCCCN)CCCCN +586,images/586.png,molecule,"1,10-Diaminodecane", +587,images/587.png,molecule,"1,11-Diaminoundecane", +591,images/591.png,molecule,4-(4-aminophenyl)aniline|Benzidine,C1=CC(=CC=C1C2=CC=C(C=C2)N)N +592,images/592.png,molecule,Nile Red, +594,images/594.png,molecule,"2,4,6-Trinitrophenol|2,4,6-trinitrophenol|Picric acid",C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] +595,images/595.png,molecule,4-Nitrophenol, +596,images/596.png,molecule,(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid|L-His|L-Histidine,C1=C(NC=N1)CC(C(=O)O)N +598,images/598.png,molecule,7H-purin-6-amine|Adenine,C1=NC2=NC=NC(=C2N1)N +599,images/599.png,molecule,Thymine, +600,images/600.png,molecule,Uracil, +601,images/601.png,molecule,6-amino-1H-pyrimidin-2-one|Cytosine,C1=C(NC(=O)N=C1)N +606,images/606.png,host,Pseudocyclopeptide iodide, +609,images/609.png,host,asymmetric Acyclic di-(sodium(3-((4-(2-azidoeth..., +610,images/610.png,host,Acyclic di-(sodium(3-((4-(2-azidoethoxy)naphtha..., +612,images/612.png,molecule,2-acetyloxyethyl(trimethyl)azanium;chloride|Acetylcholine chloride,CC(=O)OCC[N+](C)(C)C.[Cl-] +620,images/620.png,host,Viologen-cyclophane-C7, +621,images/621.png,molecule,Tetrathiafulvalene, +623,images/623.png,host,"Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dic...", +624,images/624.png,molecule,Isoquinoline|isoquinoline,C1=CC=C2C=NC=CC2=C1 +626,images/626.png,host,"Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-di...", +627,images/627.png,molecule,Tetraethylammonium iodide|tetraethylazanium;iodide,CC[N+](CC)(CC)CC.[I-] +628,images/628.png,molecule,TBAI|Tetrabutylammonium iodide|tetrabutylazanium;iodide,CCCC[N+](CCCC)(CCCC)CCCC.[I-] +647,images/647.png,molecule,1-methyl-1-azoniabicyclo[2.2.2]octane;iodide|N-Methylquinuclidinium iodide,C[N+]12CCC(CC1)CC2.[I-] +648,images/648.png,molecule,"1-Azatricyclo[3.3.3.0]undecan-1-ylium chloride|1-azoniatricyclo[3.3.3.01,5]undecane;chloride",C1CC23CCC[N+]2(C1)CCC3.[Cl-] +649,images/649.png,molecule,"(4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol|Morphine",CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O +650,images/650.png,molecule,"(4aR,7S,7aR,12bS)-3,3-dimethyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7,9-diol;iodide|Morphine methiodide",C[N+]1(CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O)C.[I-] +652,images/652.png,molecule,"(6S,11R,12R)-6,11-dihydro-6,11-[1,2]epicyclopen...|(6S,11R,12R)-6,11-dihydro-6,11-[1,2]epicyclopentapyrido[1,2-b]isoquinolin-5-ium|2-azoniapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13,17-heptaene",C1C=CC2C1C3C4=CC=CC=C4C2C5=CC=CC=[N+]35 +653,images/653.png,molecule,"Heroin|[(4R,4aR,7S,7aR,12bS)-9-acetyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate",CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)OC(=O)C)CCN3C +654,images/654.png,molecule,"(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol|Codeine",CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O +655,images/655.png,molecule,N-Methyl thebaine,CO[C@H]1C=CC2[C@@]34C1Oc1c4c(CC2[N+](CC3)(C)C)ccc1OC +656,images/656.png,molecule,N-Methyl codeine,COC1=C2O[C@@H]3[C@]45C2=C(C=C1)C[C@@H]([N+](CC5)(C)C)[C@]4([H])C=C[C@@H]3O +657,images/657.png,host,ExBox.4PF6, +658,images/658.png,molecule,Azulene, +659,images/659.png,molecule,Anthracene|anthracene,C1=CC=C2C=C3C=CC=CC3=CC2=C1 +660,images/660.png,molecule,Phenanthrene, +662,images/662.png,molecule,Tetraphene|benzo[a]anthracene,C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C=C32 +663,images/663.png,molecule,Chrysene, +665,images/665.png,molecule,Benzo[c]phenanthrene|Tetrahelicene|benzo[c]phenanthrene,C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C=C3 +666,images/666.png,molecule,Triphenylene|triphenylene,C1=CC=C2C(=C1)C3=CC=CC=C3C4=CC=CC=C24 +667,images/667.png,molecule,Perylene|perylene,C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2 +669,images/669.png,molecule,"(Z)‐4‐(4‐(2‐(3′,5′‐bis(trifluoromethyl)‐[1,1′‐biphenyl]‐4‐yl)‐1‐cyanovinyl)phenyl)‐1‐methylpyridin‐1‐ium chloride|Cyanostilbene",N#C/C(=C\c1ccc(cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)/c1ccc(cc1)c1cc[n+](cc1)C.[Cl-] +670,images/670.png,molecule,"Cadaverine (fully protonated form)|Pentane-1,5-diamine|Pentane-1,5-diammonium",[NH3+]CCCCC[NH3+] +671,images/671.png,molecule,"1,4-Butanediammonium|Butane-1,4-diamine|putrescine (fully protonated form)",[NH3+]CCCC[NH3+] +672,images/672.png,molecule,Spermidine, +676,images/676.png,molecule,Ethanamine|Ethylamine|Ethylamine (protonated form),CC[NH3+] +677,images/677.png,molecule,1-Propylamine|1-propylamine (fully portonated)|Propan-1-amine,CCC[NH3+] +678,images/678.png,molecule,Acetic acid, +679,images/679.png,molecule,1-Butylamine (protonated)|Butan-1-amine|Butylamine (protonated form),CCCC[NH3+] +680,images/680.png,molecule,1-Pentylammonium|Pentan-1-amine|Pentylamine (protonated form),CCCCC[NH3+] +681,images/681.png,molecule,Hexan-1-amine|Hexylamine (protonated form)|Hexylammonium,CCCCCC[NH3+] +682,images/682.png,host,syn-Amide Naphthotube, +683,images/683.png,host,anti-Amide Naphthotube, +685,images/685.png,molecule,1-Heptylamine (fully protonated)|1-Heptylammonium|1-aminoheptane,CCCCCCC[NH3+] +686,images/686.png,molecule,1-Octylammonium|octan-1-aminium,CCCCCCCC[NH3+] +687,images/687.png,molecule,"1,2-Ethylenediamine|1,2-Ethylenediamine (fully protonated)|Ethane-1,2-diamine",[NH3+]CC[NH3+] +688,images/688.png,molecule,"1,3-Propandiammonium", +691,images/691.png,molecule,"1,7-Heptanediammonium", +692,images/692.png,molecule,"1,8-Octanediammonium|octane-1,8-diamine",[NH3+]CCCCCCCC[NH3+] +693,images/693.png,molecule,"1,10-Decanediammonium|decane-1,10-diamine",[NH3+]CCCCCCCCCC[NH3+] +694,images/694.png,host,"Triphenylenol-tris([1,3]dioxole)-tris(bicyclo[3...", +695,images/695.png,molecule,2-Methyloxirane, +696,images/696.png,molecule,"1,2-Butylene oxide|2-ethyloxirane",CCC1CO1 +697,images/697.png,molecule,"2,2-Dimethyloxirane", +698,images/698.png,molecule,"(2R,3S)-2,3-Dimethyloxirane|(2S,3R)-2,3-dimethyloxirane|cis-2,3-Dimethyloxirane",CC1C(O1)C +699,images/699.png,molecule,trans-dimethyloxirane, +700,images/700.png,molecule,Cyclopentene oxide, +701,images/701.png,molecule,7-Oxabicyclo[4.1.0]heptane|7-oxabicyclo[4.1.0]heptane|Cyclohexene oxide,C1CCC2C(C1)O2 +702,images/702.png,molecule,2-(pent-4-en-1-yl)oxirane,C=CCCCC1CO1 +704,images/704.png,molecule,2-Phenyloxirane|2-phenyloxirane|Styrene oxide,C1C(O1)C2=CC=CC=C2 +705,images/705.png,molecule,2-Methyl-3-phenyloxirane|2-methyl-3-phenyloxirane,CC1C(O1)C2=CC=CC=C2 +706,images/706.png,molecule,L-tyrosyl-L-leucyl-L-alanine,CC(C[C@@H](C(=O)N[C@H](C(=O)O)C)NC(=O)[C@H](Cc1ccc(cc1)O)N)C +707,images/707.png,molecule,Caffeine, +708,images/708.png,molecule,L-tyrosyl-L-alanyl-L-leucine,CC(C[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)C)C +709,images/709.png,molecule,L-alanyl-L-tyrosyl-L-leucine,CC(C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](N)C)C +710,images/710.png,molecule,L-Tyrosyl-L-Lysyl-L-Alanine, +711,images/711.png,molecule,L-tyrosyl-L-tyrosyl-L-alanine,Oc1ccc(cc1)C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)Cc1ccc(cc1)O)N +712,images/712.png,molecule,L-Tyrosyl-L-Phenylalanyl-L-alanine|L-tyrosyl-L-phenylalanyl-L-alanine|Tyr-Phe-Ala,O=C([C@H](Cc1ccc(cc1)O)N)N[C@H](C(=O)N[C@H](C(=O)O)C)Cc1ccccc1 +713,images/713.png,host,15-Crown-5, +714,images/714.png,host,18-Crown-6, +715,images/715.png,molecule,Potassium chloride|potassium;chloride,[Cl-].[K+] +717,images/717.png,molecule,8-Methoxycaffeine, +718,images/718.png,molecule,"N,N',N''-triallylcyanuric acid", +719,images/719.png,molecule,"1,3-Dimethyluracil", +720,images/720.png,molecule,"1,3-Dimethylbarbituric acid", +721,images/721.png,host,"Triphenylenoltris([1,3]dioxole)-trisbicyclo[3.3...", +722,images/722.png,host,"Triphenyleno[2,3-d:6,7-d':10,11-d'']tris([1,3]d...", +723,images/723.png,molecule,"(2S)-2,5-diaminopentanoic acid|L-Ornithine",C(CC(C(=O)O)N)CN +724,images/724.png,molecule,"(2S)-2,6-diaminohexanoic acid|L-Lys|L-Lysine",C(CCN)CC(C(=O)O)N +725,images/725.png,molecule,(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid|L-Arg|L-Arginine,C(CC(C(=O)O)N)CN=C(N)N +726,images/726.png,molecule,2-(4-aminobutyl)guanidine|Agmatine,C(CCN=C(N)N)CN +727,images/727.png,molecule,Histidinol, +728,images/728.png,molecule,Lisinopril, +729,images/729.png,host,"Acyclic sodium 3,3'-(naphthalene-2,7-diyl)bis(p...", +730,images/730.png,host,Napthalene-monofunctionalized CB6, +734,images/734.png,molecule,Acridine|acridine,C1=CC=C2C(=C1)C=C3C=CC=CC3=N2 +736,images/736.png,molecule,Trifluoromethanesulfonate|trifluoromethanesulfonate,C(F)(F)(F)S(=O)(=O)[O-] +737,images/737.png,host,(S)-N-diaminomethylcarbamoyl-1H-pyrrol-2-yl-met..., +738,images/738.png,molecule,(2S)-2-acetamidopropanoic acid|N-Acetyl-l-alanine,CC(C(=O)O)NC(=O)C +739,images/739.png,molecule,N-Acetyl-L-aspartic acid, +741,images/741.png,host,Tetraphosphonate cyclophane, +742,images/742.png,host,"Tetramethyl((2,2,10,10-tetramethyl-65,145-dinit...", +743,images/743.png,molecule,Ethanolamine, +744,images/744.png,molecule,1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol|Propranolol,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O +745,images/745.png,molecule,"2-Amino-1-(4-nitrophenyl)-1,3-propanediol hydro...", +746,images/746.png,host,"2,3-[1,2-phenylenebis[oxy(3,6-dioxaoctane-1,8-d...", +747,images/747.png,host,"Bis[quinoxaline-2,3-diylbis[oxy(3,6-dioxaoctane...", +748,images/748.png,host,"Tris[2,3-quinoxalinediylbis(oxyethyleneoxyethyl...", +749,images/749.png,molecule,"N,N'-[p-phenylenebis(oxy-p-phenylenemethylene)]...|N,N'-[p-phenylenebis(oxy-p-phenylenemethylene)]bis(benzenemethaneaminium)|benzyl-[[4-[4-[4-[(benzylazaniumyl)methyl]phenoxy]phenoxy]phenyl]methyl]azanium",C1=CC=C(C=C1)C[NH2+]CC2=CC=C(C=C2)OC3=CC=C(C=C3)OC4=CC=C(C=C4)C[NH2+]CC5=CC=CC=C5 +750,images/750.png,molecule,Dibenzylazanium|dibenzylazanium,C1=CC=C(C=C1)C[NH2+]CC2=CC=CC=C2 +751,images/751.png,molecule,"1,1',1''-((benzene-1,1,1',1''-((benzene-1,3,5-t...|1,1',1''-((benzene-1,1,1',1''-((benzene-1,3,5-triyltris(oxy))tris(benzene-4,1-diyl))tris(N-benzylmethanaminium)|1,1',1''-((benzene-1,3,5-triyltris(oxy))tris(benzene-4,1-diyl))tris(N-benzylmethanaminium)",F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.C1(C[NH2+]CC2=CC=C(OC3=CC(OC(C=C4)=CC=C4C[NH2+]CC5=CC=CC=C5)=CC(OC(C=C6)=CC=C6C[NH2+]CC7=CC=CC=C7)=C3)C=C2)=CC=CC=C1 +752,images/752.png,molecule,"Phenylenebis[oxy(3,6-dioxaoctane-1,8-diyl)oxy]]...|Phenylenebis[oxy(3,6-dioxaoctane-1,8-diyl)oxy]]quinoxaline and one benzene-triyltris(oxy))tris(benzenediyl))tris(N-benzylmethanaminium) host",[NH2+](Cc1ccccc1)Cc1ccc(cc1)Oc1cc(cc(c1)Oc1ccc(cc1)C[NH2+]Cc1ccccc1)Oc1ccc(cc1)C[NH2+]Cc1ccccc1.C1COCCOc2ccccc2OCCOCCOCCOc2c(OCCO1)nc1ccccc1n2 +753,images/753.png,molecule,"Phenylenebis[oxy(3,6-dioxaoctane-1,8-diyl)oxy]]...", +754,images/754.png,host,"Tris[2,3-quinoxalinediylbis(oxyethyleneoxyethyl...", +755,images/755.png,host,"Tris[2,3-quinoxalinediylbis(oxyethyleneoxyethyl...", +756,images/756.png,host,, +757,images/757.png,molecule,, +758,images/758.png,molecule,Atenolol, +759,images/759.png,molecule,1-(O-Allylphenoxy)-3-(isopropylamino)-2-propanol|1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol|Alprenolol,CC(C)NCC(COC1=CC=CC=C1CC=C)O +760,images/760.png,molecule,methyl 2-amino-3-(4-methoxyphenyl)propanoate, +761,images/761.png,host,1-[5-(carbamoylmethylcarbamoyl)-1h-pyrrole-2-yl..., +763,images/763.png,molecule,2-Acetamidopropanoate, +764,images/764.png,molecule,Guanidinium Chloride, +765,images/765.png,host,2-Acetylguanidinium, +766,images/766.png,host,1-(1H-pyrrole-2-ylcarbonyl)guanidinium, +767,images/767.png,host,1-[5-(ethylcarbamoyl)-1H-pyrrole-2-ylcarbonyl]g..., +768,images/768.png,host,1-[5-(Butylcarbamoyl)-1H-pyrrole-2-ylcarbonyl]g..., +769,images/769.png,host,1-[5-(methoxycarbonyl)-1H-pyrrole-2-ylcarbonyl]..., +770,images/770.png,host,1-[5-(Carbamoylmethyl-isopropyl-carbamoyl)-1H-p..., +771,images/771.png,molecule,Acetate|acetate,CC(=O)[O-] +772,images/772.png,molecule,Formate, +773,images/773.png,molecule,1H-pyrrole-2-carboxylate|Pyrrole-2-carboxylate,C1=CNC(=C1)C(=O)[O-] +774,images/774.png,molecule,acetylalaninate, +775,images/775.png,molecule,2-Acetamido-3-Phenylpropanoate, +777,images/777.png,molecule,acetylphenylalaninate,[O-]C(=O)C(Cc1ccccc1)NC(=O)C +780,images/780.png,molecule,Cyclohexanemethylamine|cyclohexylmethanamine,C1CCC(CC1)CN +784,images/784.png,molecule,"1,1'-(1,4-phenylenebis(methylene))bis(pyridin-1-ium-3-carboxylate)|1,1'-(1,4-phenylenebis(methylene))bis(pyridin-1...",[O-]C(=O)c1ccc[n+](c1)Cc1ccc(cc1)C[n+]1cccc(c1)C(=O)[O-] +786,images/786.png,molecule,"1,1'-(1,4-phenylenebis(methylene))bis(pyridin-1-ium-4-carboxylate)|1,1'-(1,4-phenylenebis(methylene))bis(pyridin-1...",[O-]C(=O)c1cc[n+](cc1)Cc1ccc(cc1)C[n+]1ccc(cc1)C(=O)[O-] +787,images/787.png,molecule,Ammonium nitrate|azanium;nitrate,[NH4+].[N+](=O)([O-])[O-] +788,images/788.png,molecule,Nitric acid|nitric acid,[N+](=O)(O)[O-] +789,images/789.png,molecule,Lithium nitrate, +790,images/790.png,molecule,Sodium nitrate, +791,images/791.png,molecule,Potassium nitrate, +792,images/792.png,molecule,Strontium nitrate|strontium;dinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Sr+2] +793,images/793.png,molecule,Magnesium nitrate, +794,images/794.png,molecule,Calcium nitrate|calcium;dinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Ca+2] +795,images/795.png,molecule,Rubidium nitrate|rubidium(1+);nitrate,[N+](=O)([O-])[O-].[Rb+] +796,images/796.png,molecule,Cesium nitrate, +797,images/797.png,molecule,Barium nitrate|barium(2+);dinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Ba+2] +798,images/798.png,molecule,Ytterbium nitrate, +799,images/799.png,molecule,Lanthanum(III) nitrate hexahydrate|lanthanum(3+);trinitrate;hexahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.[La+3] +800,images/800.png,molecule,Iron(III) nitrate nonahydrate|iron(3+);trinitrate;nonahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.O.O.O.[Fe+3] +801,images/801.png,molecule,Nickel nitrate, +802,images/802.png,molecule,Rubidium chloride|rubidium(1+);chloride,[Cl-].[Rb+] +803,images/803.png,molecule,"Cesium chloride|Cesium chloride, Caesium chloride|cesium;chloride",[Cl-].[Cs+] +804,images/804.png,molecule,Calcium chloride|calcium;dichloride,[Cl-].[Cl-].[Ca+2] +805,images/805.png,molecule,Strontium chloride hexahydrate|strontium;dichloride;hexahydrate,O.O.O.O.O.O.[Cl-].[Cl-].[Sr+2] +806,images/806.png,molecule,Barium chloride|barium(2+);dichloride,[Cl-].[Cl-].[Ba+2] +807,images/807.png,molecule,Lanthanum chloride heptahydrate|lanthanum(3+);trichloride;heptahydrate,O.O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[La+3] +808,images/808.png,molecule,Lithium chloride|lithium;chloride,[Li+].[Cl-] +809,images/809.png,molecule,Magnesium chloride|magnesium;dichloride,[Mg+2].[Cl-].[Cl-] +811,images/811.png,molecule,Ammonium chloride|azanium;chloride,[NH4+].[Cl-] +812,images/812.png,molecule,Silver chloride|chlorosilver,Cl[Ag] +813,images/813.png,molecule,Nickel chloride|dichloronickel,Cl[Ni]Cl +814,images/814.png,molecule,Copper chloride|Cupric chloride|dichlorocopper,Cl[Cu]Cl +815,images/815.png,molecule,Zinc chloride|dichlorozinc,Cl[Zn]Cl +816,images/816.png,molecule,Aluminum trichloride|trichloroalumane,[Al](Cl)(Cl)Cl +817,images/817.png,molecule,Iron trichloride|Iron(III) chloride|trichloroiron,Cl[Fe](Cl)Cl +818,images/818.png,molecule,Ytterbium trichloride|Ytterbium(III) chloride|trichloroytterbium,Cl[Yb](Cl)Cl +819,images/819.png,molecule,DSMI, +820,images/820.png,molecule,"2-hydroxyethyl-[2-[18-[2-[2-hydroxyethyl(dimethyl)azaniumyl]ethyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]ethyl]-dimethylazanium|PDI-Bis(Et-Me2N-Et-OH)",C[N+](C)(CCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CC[N+](C)(C)CCO)C1=O)CCO +821,images/821.png,molecule,Lithium perchlorate|lithium;perchlorate,[Li+].[O-]Cl(=O)(=O)=O +822,images/822.png,molecule,Neodymium trichloride, +823,images/823.png,molecule,Samarium trichloride, +824,images/824.png,molecule,Europium trichloride, +825,images/825.png,molecule,Gadolinium trichloride|Gadolinium(III) chloride|trichlorogadolinium,Cl[Gd](Cl)Cl +826,images/826.png,molecule,Dysprosium trichloride, +827,images/827.png,molecule,Tetrapropylammonium chloride, +828,images/828.png,molecule,Methanaminium|Methylammonium|methylazanium,C[NH3+] +829,images/829.png,molecule,Ethylammonium, +830,images/830.png,host,"3,3'-[1,4,10,13-tetraoxa-7,16-diazacyclooctadec...", +831,images/831.png,molecule,K+|Potassium cation|potassium(1+),[K+] +832,images/832.png,host,"2-Hydroxy-3-(1,4,7,10-tetraoxa-13-azacyclopenta...", +833,images/833.png,host,"13-(2-Hydroxy-3-formyl-5-bromobenzyl)-1,4,7,10-...", +834,images/834.png,host,"16-(2-Hydroxy-3-formyl-5-bromobenzyl)-1,4,7,10,...", +848,images/848.png,molecule,Rb+|Rubidium cation,[Rb+] +849,images/849.png,molecule,Cesium cation|Cs+,[Cs+] +851,images/851.png,molecule,10-Methyl-9-(10-methylacridin-10-ium-9-yl)acridin-10-ium dinitrate|Lucigenin,C[n+]1c2ccccc2c(c2c1cccc2)c1c2ccccc2[n+](c2c1cccc2)C.[O-][N+](=O)[O-].[O-][N+](=O)[O-] +853,images/853.png,host,sCx5, +854,images/854.png,host,stCx4, +855,images/855.png,host,Cx4R, +857,images/857.png,host,sCx6, +860,images/860.png,host,sCx8, +861,images/861.png,molecule,"4-[(E)-2-(3,10a-dihydropyren-1-yl)vinyl]-1-meth...", +866,images/866.png,molecule,"N-methyl-N-(4-(2-(1-methylpyridin-4(1H)-ylidene)ethylidene)cyclohexa-2,5-dien-1-ylidene)methanaminium|N-methyl-N-(4-(2-(1-methylpyridin-4(1H)-ylidene...",CN1C=CC(=CC=C2C=CC(=[N+](C)C)C=C2)C=C1 +874,images/874.png,molecule,1-Heptanol, +875,images/875.png,molecule,Propionic acid, +876,images/876.png,molecule,Valeric acid, +878,images/878.png,molecule,Heptanoic acid, +879,images/879.png,molecule,Octanoic acid, +880,images/880.png,molecule,Nonanoic acid, +887,images/887.png,host,Hexabenzyl-CB6, +890,images/890.png,molecule,Pinacolone,CC(=O)C(C)(C)C +891,images/891.png,molecule,Acetophenone,CC(=O)c1ccccc1 +892,images/892.png,molecule,1-Phenyl-2-butanone,CCC(=O)Cc1ccccc1 +893,images/893.png,molecule,tert-Butylbenzylketone,O=C(C(C)(C)C)Cc1ccccc1 +895,images/895.png,molecule,2-(1H-benzimidazol-2-yl)phenol,Oc1ccccc1c1nc2c([nH]1)cccc2 +899,images/899.png,molecule,"2,2,3,3-tetradeuterio-3-trimethylsilyl-propanoic acid|TMSP",OC(=O)C(C([Si](C)(C)C)([2H])[2H])([2H])[2H] +902,images/902.png,molecule,Melamine,Nc1nc(N)nc(n1)N +903,images/903.png,molecule,Methyl acetate,COC(=O)C +904,images/904.png,molecule,Benzimidazole,C12=CC=CC=C1NC=N2 +905,images/905.png,molecule,Albendazole,CCCSC1=CC=C2C(NC(NC(OC)=O)=N2)=C1 +906,images/906.png,molecule,Carbendazim,COC(NC1=NC2=CC=CC=C2N1)=O +907,images/907.png,molecule,Thiabendazole,c1scc(n1)c1nc2c([nH]1)cccc2 +908,images/908.png,molecule,Fuberidazole,c1coc(c1)c1nc2c([nH]1)cccc2 +909,images/909.png,molecule,Trifluoroacetic acid, +911,images/911.png,molecule,"3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine;hydrochloride|Acridine Orange hydrochloride (protonated)",CN(C)C1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)N(C)C.Cl +917,images/917.png,molecule,Magnesium cation|Mg2+|magnesium(2+),[Mg+2] +918,images/918.png,molecule,Ca2+|Calcium cation|calcium(2+),[Ca+2] +919,images/919.png,molecule,Ba2+|Barium cation|barium(2+),[Ba+2] +920,images/920.png,molecule,Sr2+|Strontium cation|strontium(2+),[Sr+2] +921,images/921.png,host,[2.2.1]Cryptand, +922,images/922.png,molecule,Ag+|Silver cation|silver(1+),[Ag+] +925,images/925.png,molecule,3-acetyloxy-4-(trimethylazaniumyl)butanoate|Acetyl-D/L-Carnitine,CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C +932,images/932.png,molecule,"1,12-Diaminododecane", +933,images/933.png,molecule,2-Propanol|Isopropanol|propan-2-ol,CC(C)O +934,images/934.png,molecule,(R)-1-(2-naphthyl)ethylammonium|[(1R)-1-naphthalen-2-ylethyl]azanium,CC(C1=CC2=CC=CC=C2C=C1)[NH3+] +935,images/935.png,molecule,tert-Butanol, +936,images/936.png,molecule,1-Adamantanol|adamantan-1-ol,C1C2CC3CC1CC(C2)(C3)O +938,images/938.png,molecule,"3-ethyl-12H-indolo[2,3-a]quinolizin-5-ium;perchlorate|Flavopereirine perchlorate",CCC1=C[N+]2=C(C=C1)C3=C(C=C2)C4=CC=CC=C4N3.[O-]Cl(=O)(=O)=O +939,images/939.png,host,[3.2.2]Cryptand, +940,images/940.png,host,[3.3.2]Cryptand, +941,images/941.png,host,[3.3.3]Cryptand, +942,images/942.png,host,[2.2.C8]Cryptand, +943,images/943.png,host,Dimethyl-tetraoxa-diazacyclooctadecane, +944,images/944.png,host,"7,16-Bis[2-(2-methoxyethoxy)ethyl]-1,4,10,13-te...", +945,images/945.png,host,Dicyclohexano-18-Crown-6, +946,images/946.png,molecule,4-Methylbenzylamine, +947,images/947.png,molecule,Thallium cation|Tl+|thallium(1+),[Tl+] +948,images/948.png,molecule,Ammonium|Ammonium ion|azanium,[NH4+] +949,images/949.png,molecule,Dimercury(2+)|Hg2(2+)|mercury(1+),[Hg+].[Hg+] +950,images/950.png,molecule,Lead cation|Pb2+|lead(2+),[Pb+2] +951,images/951.png,host,EDTA, +958,images/958.png,host,Uramildiacetic acid, +962,images/962.png,host,Enniatin b, +963,images/963.png,host,Valinomycin, +964,images/964.png,molecule,N-Butyladamantan-1-aminium,CCCC[NH2+]C12C[C@@H]3C[C@H](C2)C[C@H](C1)C3 +966,images/966.png,molecule,6-Methoxy-1-methylquinolinium|6-methoxy-1-methylquinolin-1-ium,C[N+]1=CC=CC2=C1C=CC(=C2)OC +967,images/967.png,molecule,"1,3-Dimethylimidazolium|1,3-dimethylimidazol-1-ium",CN1C=C[N+](=C1)C +968,images/968.png,molecule,"Bis(3,5-dimethoxybenzyl)-4,4′-bipyridinium",COc1cc(cc(c1)OC)C[n+]1ccc(cc1)c1cc[n+](cc1)Cc1cc(OC)cc(c1)OC +969,images/969.png,molecule,"1,1'-bis(3,5-diethoxybenzyl)-[4,4'-bipyridine]-...|1,1'-bis(3,5-diethoxybenzyl)-[4,4'-bipyridine]-1,1'-diium",CCOc1cc(cc(c1)OCC)C[n+]1ccc(cc1)c1cc[n+](cc1)Cc1cc(OCC)cc(c1)OCC +970,images/970.png,molecule,"3′,4′,7-Trimethoxyflavylium ion|Trimethoxyflavylium ion",COc1ccc2c(c1)[o+]c(cc2)c1ccc(c(c1)OC)OC +971,images/971.png,molecule,7-Methoxy-4-methylflavylium cation,COc1ccc2c(c1)[o+]c(cc2C)c1ccccc1 +972,images/972.png,molecule,2-Aminoanthracenium cation,[NH3+]c1ccc2c(c1)cc1c(c2)cccc1 +973,images/973.png,molecule,Acridine (protonated),c1ccc2c(c1)[nH+]c1c(c2)cccc1 +974,images/974.png,molecule,"1-(3,5-dimethylbenzyl)-1'-(2-(2-(2-methoxyethoxy)ethoxy)ethyl)-[4,4'-bipyridine]-1,1'-diium|N-TEG-N'-(3,5-dimethylbenzyl)-4,4'-bipyridinium",COCCOCCOCC[n+]1ccc(cc1)c1cc[n+](cc1)Cc1cc(C)cc(c1)C +975,images/975.png,molecule,"Oxaliplatin|[(1R,2R)-2-azanidylcyclohexyl]azanide;oxalate;platinum(4+)",C1CCC(C(C1)[NH-])[NH-].C(=O)(C(=O)[O-])[O-].[Pt+4] +977,images/977.png,molecule,propiononitrile, +978,images/978.png,molecule,1-propanol|propan-1-ol,CCCO +979,images/979.png,molecule,1H-pyrrole|Pyrrole,C1=CNC=C1 +980,images/980.png,molecule,Furan|furan,C1=COC=C1 +981,images/981.png,molecule,2-Butanone|2-butanone|butan-2-one,CCC(=O)C +982,images/982.png,molecule,"DMF|N,N-dimethylformamide",CN(C)C=O +983,images/983.png,molecule,"N,N-bis(diisopropylphenyl)isophthalamide|N1,N3-bis(2,6-diisopropylphenyl)isophthalamide",CC(c1cccc(c1NC(=O)c1cccc(c1)C(=O)Nc1c(cccc1C(C)C)C(C)C)C(C)C)C +984,images/984.png,host,Trifluoroacetamido-cyclohexyl-4-nitro-1H-pyrrol..., +985,images/985.png,host,Trichloroacetamido-cyclohexyl-4-nitro-1H-pyrrol..., +986,images/986.png,host,Tribromoacetamido-cyclohexyl-4-nitro-1H-pyrrole..., +987,images/987.png,host,Acetamido-cyclohexyl-4-nitro-1H-pyrrole-2-bisan..., +988,images/988.png,molecule,"N,N-Dihexylisophthalamide|N1,N3-Dihexylisophthalamide",CCCCCCNC(=O)c1cccc(c1)C(=O)NCCCCCC +989,images/989.png,molecule,"N,N-bis(diisopropyl-4-nitrophenyl)isophthalamide|N1,N3-bis(2,6-diisopropyl-4-nitrophenyl)isophthalamide",CC(c1cc(cc(c1NC(=O)c1cccc(c1)C(=O)Nc1c(cc(cc1C(C)C)[N+](=O)[O-])C(C)C)C(C)C)[N+](=O)[O-])C +990,images/990.png,molecule,"N,N-Bis(dimethylamino)-2,6-diisopropylphenyl)is...|N,N-Bis(dimethylamino)-2,6-diisopropylphenyl)isophthalamide|N1,N3-bis(4-(dimethylamino)-2,6-diisopropylphenyl)isophthalamide",CC(c1cc(cc(c1NC(=O)c1cccc(c1)C(=O)Nc1c(cc(cc1C(C)C)N(C)C)C(C)C)C(C)C)N(C)C)C +991,images/991.png,molecule,N-Phenyl-2-naphthylammonium cation,c1ccc(cc1)[NH2+]c1ccc2c(c1)cccc2 +992,images/992.png,molecule,1-Butanol|butan-1-ol,CCCCO +993,images/993.png,molecule,"1,1'-bis(5-carboxypentyl)-[4,4'-bipyridine]-1,1'-diium|Bis(5-carboxypentyl)-N,N'-bipyridiniium",OC(=O)CCCCC[n+]1ccc(cc1)c1cc[n+](cc1)CCCCCC(=O)O +994,images/994.png,molecule,DMSO|Dimethyl sulfoxide|methylsulfinylmethane,CS(=O)C +996,images/996.png,molecule,3-Pentanone|pentan-3-one,CCC(=O)CC +997,images/997.png,molecule,1-Pentanol, +998,images/998.png,molecule,1-Hexanol|hexan-1-ol,CCCCCCO +1001,images/1001.png,molecule,Hexanoic acid|hexanoic acid,CCCCCC(=O)O +1003,images/1003.png,molecule,"2,6-diaminohexanoic acid|D/L-Lys|D/L-lysine",C(CCN)CC(C(=O)O)N +1004,images/1004.png,molecule,(2R)-2-amino-3-phenylpropanamide|D-phenylalanine amide,C1=CC=C(C=C1)CC(C(=O)N)N +1005,images/1005.png,molecule,Tropicamide, +1006,images/1006.png,molecule,"4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol|Epinephrine,L-Adrenaline|L-Adrenaline",CNCC(C1=CC(=C(C=C1)O)O)O +1008,images/1008.png,molecule,(2S)-2-amino-6-(methylamino)hexanoic acid|Methyllysine|N6-Methyllysine,CNCCCCC(C(=O)O)N +1009,images/1009.png,molecule,(2S)-2-amino-6-(dimethylamino)hexanoic acid|Dimethyllysine|N6-Dimethyllysine,CN(C)CCCCC(C(=O)O)N +1010,images/1010.png,molecule,N6-Trimethyllysine|Trimethyllysine|[(5S)-5-amino-5-carboxypentyl]-trimethylazanium,C[N+](C)(C)CCCCC(C(=O)O)N +1011,images/1011.png,molecule,"(2S)-2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid|Asymmetric dimethylarginine|asymmetric N,N-dimethylarginine",CN(C)C(=NCCCC(C(=O)O)N)N +1012,images/1012.png,molecule,"(2S)-2-amino-5-[(N,N'-dimethylcarbamimidoyl)amino]pentanoic acid|Symmetric dimethylarginine|Symmetric-N,N-dimethylarginine",CNC(=NC)NCCCC(C(=O)O)N +1013,images/1013.png,molecule,2-amino-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid|Methylarginine,CN=C(N)NCCCC(C(=O)O)N +1014,images/1014.png,molecule,"4-methylbenzenesulfonate;(2Z)-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole|Thiazole orange",CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C2=CC=CC=C2SC1=CC3=CC=[N+](C4=CC=CC=C34)C +1016,images/1016.png,molecule,"2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)|[Ru(bpy)2dppz]2+",C1=CC=C2C(=C1)N=C3C4=C(C5=C(C3=N2)C=CC=N5)N=CC=C4.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.[Ru+2] +1019,images/1019.png,host,sCx4-Ph, +1020,images/1020.png,molecule,Ac-RKST-NH2|RKST,NCCCCC(C(=O)NC(C(=O)NC(C(=O)N)[C@H](O)C)CO)NC(=O)C(NC(=O)C)CCCNC(=N)N +1021,images/1021.png,molecule,Ac-RKme3ST-NH2|RKme3ST,OCC(C(=O)NC(C(=O)N)[C@H](O)C)NC(=O)C(NC(=O)C(NC(=O)C)CCCNC(=N)N)CCCC[N+](C)(C)C +1022,images/1022.png,molecule,(2S)-6-acetamido-2-aminohexanoic acid|N6-Acetyllysine,CC(=O)NCCCCC(C(=O)O)N +1023,images/1023.png,host,syn-Urea Naphthotube, +1024,images/1024.png,host,anti-Urea Naphthotube, +1026,images/1026.png,molecule,"1,4-Dioxane",C1COCCO1 +1031,images/1031.png,molecule,2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-sulfobenzenesulfonate|Sulforhodamine B|Sulforhodamine b,CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)O)S(=O)(=O)[O-] +1033,images/1033.png,molecule,"Brilliant green|[4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium;hydrogen sulfate",CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3.OS(=O)(=O)[O-] +1034,images/1034.png,molecule,5-Hexynoic acid|5-hexynoic acid|hex-5-ynoic acid,C#CCCCC(=O)O +1035,images/1035.png,molecule,3-Nitrobenzoic acid|3-nitrobenzoic acid,C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O +1036,images/1036.png,molecule,4-Cyanobenzoic acid|4-cyanobenzoic acid,C1=CC(=CC=C1C#N)C(=O)O +1037,images/1037.png,molecule,4-Bromoadamantane-1-carboxylic acid|4-bromoadamantane-1-carboxylic acid,C1C2CC3CC(C2)(CC1C3Br)C(=O)O +1038,images/1038.png,molecule,"1-Hexanaminium, N,N,N-trimethyl-chloride|N-Hexyltrimethylammonium chloride|hexyl(trimethyl)azanium;chloride",CCCCCC[N+](C)(C)C.[Cl-] +1039,images/1039.png,molecule,Phenethyltrimethylammonium chloride, +1040,images/1040.png,molecule,styrylcoumarin|styrylcoumarin-1,CCN(c1ccc2c(c1)oc(=O)c(c2)/C=C/c1cc[n+](cc1)C)CC.[I-] +1041,images/1041.png,molecule,(E)-4-(2-(7-(diethylamino)-2-oxo-2H-chromen-3-y...|(E)-4-(2-(7-(diethylamino)-2-oxo-2H-chromen-3-yl)vinyl)-1-(3-(trimethylammonio)propyl)pyridin-1-ium bromide,CCN(c1ccc2c(c1)oc(=O)c(c2)/C=C/c1cc[n+](cc1)CCC[N+](C)(C)C)CC.[Br-].[Br-] +1043,images/1043.png,molecule,Neutral Red protonated,Cc1cc2nc3-c([nH]c2cc1N)cc(=[N+](C)C)cc3 +1044,images/1044.png,molecule,(4S)-4-prop-1-en-2-ylcyclohexene-1-carboxylic acid|(s)-(-)-perillic acid,CC(=C)C1CCC(=CC1)C(=O)O +1045,images/1045.png,molecule,"(3S)-3,7-dimethyloct-6-enoic acid|(s)-(-)-citronellic acid",CC(CCC=C(C)C)CC(=O)O +1046,images/1046.png,molecule,trans-4-methylcyclohexyl(trimethyl)ammonium, +1047,images/1047.png,host,TEMOA, +1048,images/1048.png,molecule,Sodium fluoride, +1049,images/1049.png,molecule,Sodium sulfate, +1050,images/1050.png,molecule,Sodium bromide|sodium;bromide,[Na+].[Br-] +1052,images/1052.png,molecule,Sodium iodide|sodium;iodide,[Na+].[I-] +1053,images/1053.png,molecule,Sodium thiocyanate|sodium;thiocyanate,C(#N)[S-].[Na+] +1054,images/1054.png,molecule,Sodium perchlorate|sodium;perchlorate,[O-]Cl(=O)(=O)=O.[Na+] +1056,images/1056.png,molecule,Decanoic acid, +1057,images/1057.png,molecule,lauric acid, +1058,images/1058.png,molecule,"1-diadamantylcarboxylic acid|pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-4-carboxylic acid",C1C2CC3C4C1C5CC(C4)(CC3C5C2)C(=O)O +1059,images/1059.png,molecule,"4-aminodiamantane|pentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-4-amine",C1C2CC3C4C1C5CC(C4)(CC3C5C2)N +1060,images/1060.png,molecule,"4,9-diaminodiamantane|pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-4,9-diamine",C1C2C3CC4(CC2C5CC1(CC3C5C4)N)N +1061,images/1061.png,molecule,"1-Aminodiamantane|pentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-1-amine",C1C2CC3C4C1C5CC(C4)CC3(C5C2)N +1062,images/1062.png,molecule,9-carboxytriamantane,OC(=O)[C@]12C[C@@H]3[C@@H]4[C@H](C1)C1C5(C2)C3[C@@H]2[C@H](C4)[C@H]1C[C@H](C5)C2 +1063,images/1063.png,molecule,"4-diadamantylcarboxylic acid|pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1-carboxylic acid",C1C2CC3C4C1C5CC(C4)CC3(C5C2)C(=O)O +1064,images/1064.png,host,permethylated α-cyclodextrin, +1065,images/1065.png,molecule,Sodium trichloroacetate, +1066,images/1066.png,molecule,Sodium methanesulfonothioate|Sodium methanethiosulfonate|sodium;methyl-oxido-oxo-sulfanylidene-lambda6-sulfane,CS(=O)(=S)[O-].[Na+] +1067,images/1067.png,molecule,Sodium perrhenate|sodium;oxido(trioxo)rhenium,[O-][Re](=O)(=O)=O.[Na+] +1068,images/1068.png,molecule,Sodium cyanoborohydride|sodium;cyanoboron(1-),[B-]C#N.[Na+] +1069,images/1069.png,molecule,"Sodium dichloroacetate|sodium;2,2-dichloroacetate",C(C(=O)[O-])(Cl)Cl.[Na+] +1070,images/1070.png,molecule,Sodium dicyanamide|sodium;dicyanoazanide,C(#N)[N-]C#N.[Na+] +1071,images/1071.png,molecule,1H-imidazole|Imidazole,C1=CN=CN1 +1073,images/1073.png,molecule,"2,3-Dimethylpyrazine|2,3-dimethylpyrazine",CC1=NC=CN=C1C +1074,images/1074.png,molecule,Pyrazine,n1ccncc1 +1076,images/1076.png,host,exo-OA, +1077,images/1077.png,host,Phenethyl Metabasket, +1078,images/1078.png,molecule,Adamantane|adamantane,C1C2CC3CC1CC(C2)C3 +1079,images/1079.png,molecule,Adamantane-1-carbonitrile|adamantane-1-carbonitrile,C1C2CC3CC1CC(C2)(C3)C#N +1080,images/1080.png,molecule,1-Fluoroadamantane|1-fluoroadamantane,C1C2CC3CC1CC(C2)(C3)F +1081,images/1081.png,molecule,1-Chloroadamantane|1-chloroadamantane,C1C2CC3CC1CC(C2)(C3)Cl +1082,images/1082.png,molecule,1-Bromoadamantane|1-bromoadamantane,C1C2CC3CC1CC(C2)(C3)Br +1083,images/1083.png,molecule,2-Bromoadamantane|2-bromoadamantane,C1C2CC3CC1CC(C2)C3Br +1084,images/1084.png,molecule,1-Iodoadamantane|1-iodoadamantane,C1C2CC3CC1CC(C2)(C3)I +1085,images/1085.png,molecule,"(1R,3S,4S)-3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one|(1R-endo)-(+)-3-Bromocamphor|3-Bromo-d-camphor",CC1(C2CCC1(C(=O)C2Br)C)C +1086,images/1086.png,molecule,Bromocycloheptane|bromocycloheptane,C1CCCC(CC1)Br +1087,images/1087.png,molecule,Bromocyclohexane|bromocyclohexane,C1CCC(CC1)Br +1088,images/1088.png,molecule,Iodocyclohexane|iodocyclohexane,C1CCC(CC1)I +1089,images/1089.png,molecule,Bromocyclopentane|bromocyclopentane,C1CCC(C1)Br +1090,images/1090.png,molecule,Iodocyclopentane|iodocyclopentane,C1CCC(C1)I +1091,images/1091.png,molecule,3-Bromopentane|3-bromopentane,CCC(CC)Br +1092,images/1092.png,molecule,Iodobenzene|iodobenzene,C1=CC=C(C=C1)I +1093,images/1093.png,molecule,Bromobenzene|bromobenzene,C1=CC=C(C=C1)Br +1095,images/1095.png,host,sCx4-Br, +1096,images/1096.png,host,sCx4-NO2, +1097,images/1097.png,host,sCx4-NH2, +1098,images/1098.png,host,sCx4-NHTs, +1099,images/1099.png,host,sCx4-NHSO2(4-CO2H)Ph, +1101,images/1101.png,host,sCx4-PhCN, +1102,images/1102.png,host,sCx4-PhCONH2, +1103,images/1103.png,host,sCx4-PhCO2H, +1104,images/1104.png,host,sCx4-PhCH2NH2, +1105,images/1105.png,molecule,Sodium triflate, +1107,images/1107.png,molecule,"16,17-dimethoxy-5,7-dioxa-1-azoniapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaene|Epiberberine",COC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC5=C(C4=C3)OCO5)OC +1108,images/1108.png,molecule,"1,4-diazabicyclo[2.2.2]octane",C1CN2CCN1CC2 +1109,images/1109.png,molecule,"1,2-Dinitrobenzene", +1111,images/1111.png,molecule,Methylammonium chloride,C[NH3+].[Cl-] +1113,images/1113.png,molecule,Benzyltrimethylammonium chloride,C[N+](Cc1ccccc1)(C)C.[Cl-] +1114,images/1114.png,molecule,2-cyclopentylacetic acid|Cyclopentylacetic acid,C1CCC(C1)CC(=O)O +1115,images/1115.png,molecule,trans-2-Hexenoic acid, +1116,images/1116.png,molecule,5-Hexenoic acid, +1117,images/1117.png,molecule,2-Methyl-4-pentenoic acid|2-methyl-4-pentenoic acid|2-methylpent-4-enoic acid,CC(CC=C)C(=O)O +1118,images/1118.png,molecule,4-Methylpentanoic acid, +1119,images/1119.png,molecule,"2,2-dimethyl-4-pentenoic acid", +1120,images/1120.png,host,syn-Thiourea Naphthotube, +1121,images/1121.png,host,anti-Thiourea Naphthotube, +1122,images/1122.png,molecule,"1,3-dioxane",C1CCOCO1 +1123,images/1123.png,molecule,Pyridine|pyridine,C1=CC=NC=C1 +1124,images/1124.png,molecule,Pyrimidine|pyrimidine,C1=CN=CN=C1 +1125,images/1125.png,molecule,1-azabicyclo[2.2.2]octane|Quinuclidine,C1CN2CCC1CC2 +1126,images/1126.png,molecule,"5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin|TMPyP4",C[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)C=C4)C9=CC=[N+](C=C9)C)N3 +1127,images/1127.png,molecule,"4-((1E,3E)-4-(4-(dimethylamino)phenyl)buta-1,3-...|4-((1E,3E)-4-(4-(dimethylamino)phenyl)buta-1,3-dien-1-yl)-1-methylpyridin-1-ium|N,N-dimethyl-4-[(1E,3E)-4-(1-methylpyridin-1-ium-4-yl)buta-1,3-dienyl]aniline",C[N+]1=CC=C(C=C1)C=CC=CC2=CC=C(C=C2)N(C)C +1131,images/1131.png,molecule,(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid|methionylphenylalanylalanine,CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCSC)N +1132,images/1132.png,molecule,methionyltyrosylalanine, +1133,images/1133.png,molecule,(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]propanoic acid|methionylleucylalanine,CC(C)CC(C(=O)NC(C)C(=O)O)NC(=O)C(CCSC)N +1134,images/1134.png,molecule,methionyllysylalanine, +1135,images/1135.png,molecule,alanylmethionyltyrosine, +1137,images/1137.png,host,Boronic acid-containing coumarin aldehyde, +1138,images/1138.png,host,sCx4-12C, +1140,images/1140.png,host,"1,3,5-tris[[(4s)-4-[3-[4-(sodiosulfo)butoxy]phe...", +1141,images/1141.png,host,"1,3,5-tris[[(4s)-4-[3-[4-(sodiosulfo)butoxy]phe...", +1142,images/1142.png,molecule,tyrosylmethionylalanine, +1143,images/1143.png,molecule,(2S)-2-aminopentanedioic acid|L-glutamic acid,C(CC(=O)O)C(C(=O)O)N +1146,images/1146.png,molecule,Oxetane|oxetane,C1COC1 +1147,images/1147.png,molecule,Tetrahydropyran|oxane,C1CCOCC1 +1148,images/1148.png,molecule,Oxepane|oxepane,C1CCCOCC1 +1154,images/1154.png,molecule,Oxazine 1|[7-(diethylamino)phenoxazin-3-ylidene]-diethylazanium,CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CC)CC)C=C3O2 +1155,images/1155.png,molecule,Coumarin 6, +1156,images/1156.png,molecule,3-(1H-benzimidazol-2-yl)-7-(diethylamino)chromen-2-one|Coumarin 7,CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3 +1159,images/1159.png,molecule,Insuline human, +1160,images/1160.png,molecule,2-phenylethanamine;hydrochloride|2-phenylethylamine hydrochloride,C1=CC=C(C=C1)CCN.Cl +1161,images/1161.png,molecule,4-(2-aminoethyl)phenol;hydrochloride|Tyramine hydrochloride,C1=CC(=CC=C1CCN)O.Cl +1162,images/1162.png,molecule,"4-(2-aminoethyl)benzene-1,2-diol;hydrochloride|Dopamine hydrochloride",C1=CC(=C(C=C1CCN)O)O.Cl +1163,images/1163.png,molecule,"4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrochloride|Adrenaline hydrochloride|Epinephrine hydrochloride",CNCC(C1=CC(=C(C=C1)O)O)O.Cl +1164,images/1164.png,molecule,2-aminoethanol hydrochloride|2-aminoethanol;hydrochloride,C(CO)N.Cl +1165,images/1165.png,molecule,"4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydrochloride|Noradrenaline hydrochloride",C1=CC(=C(C=C1C(CN)O)O)O.Cl +1167,images/1167.png,molecule,"D,L-tyrosine methyl ester hydrochloride", +1168,images/1168.png,molecule,4-aminobutanoic acid|4-aminobutyric acid|gamma-amino butyric acid,C(CC(=O)O)CN +1169,images/1169.png,host,o-(H)2-1.1.1, +1170,images/1170.png,molecule,"NaBArF|Sodium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate|sodium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide",[B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.[Na+] +1171,images/1171.png,host,c = 5000.0 µM, +1173,images/1173.png,molecule,"LiBArF|Lithium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate",FC(c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(F)F.[Li+] +1175,images/1175.png,host,sCx4-PhMe, +1176,images/1176.png,host,sCx4-PhOMe, +1177,images/1177.png,host,"sCx4-Ph-2,3-diOMe", +1178,images/1178.png,molecule,AARKSAPY|Ac-AARKSAPY-NH2,NCCCCC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N)Cc1ccc(cc1)O)C)CO)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)C)C)CCCNC(=N)N +1179,images/1179.png,molecule,AARKme3SAPY|Ac-AARKme3SAPY-NH2,OCC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N)Cc1ccc(cc1)O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)C)C)CCCNC(=N)N)CCCC[N+](C)(C)C +1181,images/1181.png,molecule,Coumarin 30 neutral|Coumarin-30-neutral,CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(n1C)cccc2)CC +1182,images/1182.png,molecule,4-Bromobenzoic acid, +1183,images/1183.png,molecule,Cycloheptanecarboxylic acid|cycloheptanecarboxylic acid,C1CCCC(CC1)C(=O)O +1188,images/1188.png,molecule,Leu-met-ala, +1189,images/1189.png,molecule,Lys-met-ala, +1190,images/1190.png,molecule,Met-Tyr-Gly-Gly-Tyr, +1191,images/1191.png,molecule,L-methionyl-L-leucylglycylglycyl-L-tyrosine, +1192,images/1192.png,molecule,Leu-Met-Gly-Gly-Tyr, +1193,images/1193.png,molecule,L-methionyl-L-lysylglycylglycyl-L-tyrosine,NCCCC[C@@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)NC(=O)[C@H](CCSC)N +1194,images/1194.png,molecule,L-methionyl-L-lysyl-L-alanylglycyl-L-tyrosine, +1195,images/1195.png,molecule,Met-Lys-Val-Gly-Tyr,NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)C(C)C)NC(=O)[C@H](CCSC)N +1196,images/1196.png,molecule,Met-Arg-Gly-Gly-Tyr,CSCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCCNC(=N)N)N +1198,images/1198.png,molecule,"1-adamantylmethanol|Tricyclo[3.3.1.1 3,​7]​decane-​1-​methanol",OCC12C[C@@H]3C[C@H](C2)C[C@H](C1)C3 +1199,images/1199.png,molecule,1-adamantylethanol, +1200,images/1200.png,molecule,"Tricyclo[3.3.1.1 3,​7]​decan-​1-​amine|adamantyl-1-amine",NC12C[C@@H]3C[C@H](C2)C[C@H](C1)C3 +1201,images/1201.png,molecule,"3-noradamantanecarboxylic acid|hexahydro-2,​5-​methanopentalene-​3a(1H)​-​carboxylic acid",OC(=O)[C@]12C[C@H]3C[C@@H]2C[C@@H](C1)C3 +1202,images/1202.png,molecule,"(+)-camphor|(1R,4R)-1,​7,​7-​trimethylbicyclo[2.2.1]​heptan-​2-​one",O=C1C[C@@H]2C([C@]1(C)CC2)(C)C +1203,images/1203.png,molecule,"(1R,4S)-bicyclo[2.2.1]​heptan-​2-​one|(1R,4S)-norcamphor",O=C1C[C@@H]2C[C@H]1CC2 +1208,images/1208.png,host,tpMe-PE-MB, +1211,images/1211.png,host,TEM-PE-MB, +1212,images/1212.png,molecule,Cyclooctane|cyclooctane,C1CCCCCCC1 +1213,images/1213.png,molecule,Methylcyclohexane|methylcyclohexane,CC1CCCCC1 +1214,images/1214.png,molecule,CHLOROCYCLOHEXANE|Chlorocyclohexane|chlorocyclohexane,C1CCC(CC1)Cl +1215,images/1215.png,molecule,Bromocyclobutane, +1216,images/1216.png,molecule,1-Iodopentane|1-iodopentane,CCCCCI +1217,images/1217.png,host,P1, +1221,images/1221.png,molecule,PFOS, +1222,images/1222.png,molecule,perfluorooctanoic acid, +1224,images/1224.png,molecule,PLP|Pyridoxal-5’-phosphate,O=Cc1c(COP(=O)([O-])[O-])cnc(c1O)C +1225,images/1225.png,molecule,PL, +1226,images/1226.png,molecule,"4-[[2-[[88-[[5-amino-2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-6-[[2-[[2-[[5-amino-2-[[4-amino-2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-methylpentanoyl]amino]-47-[(3-amino-1-carboxy-3-oxopropyl)carbamoyl]-53-(2-amino-2-oxoethyl)-62-(3-amino-3-oxopropyl)-77-butan-2-yl-24,56-bis(2-carboxyethyl)-83-(1-hydroxyethyl)-12,71,80-tris(hydroxymethyl)-33,50,65-tris[(4-hydroxyphenyl)methyl]-15-(1H-imidazol-4-ylmethyl)-27-methyl-18,30,36,59,68-pentakis(2-methylpropyl)-7,10,13,16,19,22,25,28,31,34,37,40,49,52,55,58,61,64,67,70,73,76,79,82,85,87-hexacosaoxo-21,39-di(propan-2-yl)-3,4,44,45,90,91-hexathia-8,11,14,17,20,23,26,29,32,35,38,41,48,51,54,57,60,63,66,69,72,75,78,81,84,86-hexacosazabicyclo[72.11.7]dononacontane-42-carbonyl]amino]acetyl]amino]-5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[6-amino-1-[(1-carboxy-2-hydroxypropyl)amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-oxopentanoic acid|Recombinant insulin human",CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(CSSCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CO)CC(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)CC4=CC=C(C=C4)O)C(=O)NC(CC(=O)N)C(=O)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC5=CC=CC=C5)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(CC7=CC=C(C=C7)O)C(=O)NC(C(C)O)C(=O)N8CCCC8C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)O)C(C)C)CC(C)C)CC9=CC=C(C=C9)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)CC2=CNC=N2)CO)NC(=O)C(CC(C)C)NC(=O)C(CC2=CNC=N2)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=CC=C2)N)C(=O)NC(C(=O)NC(C(=O)N1)CO)C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)C)NC(=O)C(C(C)CC)NC(=O)CN +1227,images/1227.png,molecule,2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]acetic acid|Phe-Gly-Gly,C1=CC=C(C=C1)CC(C(=O)NCC(=O)NCC(=O)O)N +1228,images/1228.png,molecule,2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]acetic acid|Glycyl-phenylalanyl-glycine|H-gly-phe-gly-oh,C1=CC=C(C=C1)CC(C(=O)NCC(=O)O)NC(=O)CN +1229,images/1229.png,molecule,2-[[2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetic acid|Gly-tyr-gly,C1=CC(=CC=C1CC(C(=O)NCC(=O)O)NC(=O)CN)O +1231,images/1231.png,molecule,1-Methyl-4-(pyridin-4-yl)pyridinium|1-methyl-4-pyridin-4-ylpyridin-1-ium|Monoquat,C[N+]1=CC=C(C=C1)C2=CC=NC=C2 +1233,images/1233.png,molecule,Sodium fluoborate|Sodium tetrafluoroborate|sodium;tetrafluoroborate,[B-](F)(F)(F)F.[Na+] +1235,images/1235.png,molecule,"1-methyl-1'-(3-aminiopropyl)-4,4'-bipyridinium|3-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propylazanium",C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCC[NH3+] +1236,images/1236.png,molecule,"1,1'-bis(3-aminopropyl)-4,4'-bipyridinium|3-[4-[1-(3-aminopropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propan-1-amine",C1=C[N+](=CC=C1C2=CC=[N+](C=C2)CCCN)CCCN +1237,images/1237.png,molecule,1-(3-aminopropyl)-4-4'-bipyridinium,[NH3+]CCC[n+]1ccc(cc1)c1ccncc1 +1238,images/1238.png,molecule,Lys-Ala-Trp-Ala-Ala, +1239,images/1239.png,molecule,Ala-Lys-Trp-Ala-Ala,NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)C)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](N)C +1241,images/1241.png,host,o-(H)2-2.2.2, +1242,images/1242.png,molecule,"Cesium tetrakis[3,5-bis(trifluoromethyl)phenyl]...", +1243,images/1243.png,molecule,"Potassium tetrakis[3,5-bis(trifluoromethyl)phen...", +1244,images/1244.png,molecule,LiTPFPB, +1245,images/1245.png,molecule,Lithium tetrafluoroborate, +1246,images/1246.png,molecule,Thr-Gly-Ala-Phe-Met-NH2,CSCC[C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)C([C@H](O)C)N)C)Cc1ccccc1 +1247,images/1247.png,molecule,"Thr-Gly-D-Ala-Phe-Met-NH2|c = + 0.0 — 55.0 µM",CSCC[C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)C([C@H](O)C)N)C)Cc1ccccc1 +1248,images/1248.png,molecule,(2S)-2-((2S)-2-((2S)-2-(2-((3R)-2-amino-3-hydro...|(2S)-2-((2S)-2-((2S)-2-(2-((3R)-2-amino-3-hydroxybutanamido)acetamido)propanamido)-3-phenylpropanamido)-4-methylpentanamide,CC(C[C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)C([C@H](O)C)N)C)Cc1ccccc1)C +1250,images/1250.png,molecule,"Thr-Gly-Ser-Phe-Met-NH2|c = + 0.0 — 55.0 µM",CSCC[C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)C([C@H](O)C)N)CO)Cc1ccccc1 +1251,images/1251.png,molecule,Thr-Gly-Gly-Phe-Met-NH2,CSCC[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C([C@H](O)C)N +1252,images/1252.png,molecule,((3R)-2-amino-3-hydroxybutanoyl)glycyl-L-alanyl-L-phenylalanyl-L-leucine|((3R)-2-amino-3-hydroxybutanoyl)glycyl-L-alanyl...,CC(C[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)C([C@H](O)C)N)C)Cc1ccccc1)C +1253,images/1253.png,molecule,(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylsulfanylbutanamide|2-(2-amino-3-phenylpropanamido)-4-(methylthio)b...|2-(2-amino-3-phenylpropanamido)-4-(methylthio)butanamide,CSCCC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)N +1254,images/1254.png,molecule,(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanamide|L-Phe-L-leucine-amide|L-Phenylalanyl-L-leucine-amide,CC(C)CC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)N +1255,images/1255.png,molecule,(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoic acid|H-phe-leu-oh,CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N +1256,images/1256.png,molecule,"(2S)-2-[[(2S)-2-[[hydroxy-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphosphoryl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid|Phosphoramidon",CC1C(C(C(C(O1)OP(=O)(NC(CC(C)C)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)O)O)O)O +1257,images/1257.png,host,sCx4-NHSO2(4-Br)Ph, +1259,images/1259.png,molecule,ARTKQTARK(me3)STGY|H-ARTKQTARK(me3)STGY-NH2,NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(=O)C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N)Cc1ccc(cc1)O)C(O)C)CO)CCCC[N+](C)(C)C)CCCNC(=N)N)C)C(O)C)CCC(=O)N)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(N)C)CCCNC(=N)N +1261,images/1261.png,host,sCx4-NHCO(4-Br)Ph, +1262,images/1262.png,molecule,N-ethylacetamide,CCNC(=O)C +1263,images/1263.png,molecule,Nitromethane, +1264,images/1264.png,molecule,"1,2-dichloroethane",C(CCl)Cl +1265,images/1265.png,molecule,"2,2-Dimethoxypropane|2,2-dimethoxypropane",CC(C)(OC)OC +1266,images/1266.png,molecule,Cyclohexanone|cyclohexanone,C1CCC(=O)CC1 +1267,images/1267.png,molecule,Thiane|thiane,C1CCSCC1 +1268,images/1268.png,molecule,"1,3-Dioxolane|1,3-dioxolane",C1COCO1 +1269,images/1269.png,molecule,"4-methyl-1,3-dioxolan-2-one|Propylene carbonate",CC1COC(=O)O1 +1270,images/1270.png,molecule,"1,3,5-Trioxane|1,3,5-trioxane",C1OCOCO1 +1271,images/1271.png,host,sCx4-NH(CO)Np, +1272,images/1272.png,host,sCx4-NH(CO)Bz, +1273,images/1273.png,host,"sCx4-2,4-diNHSO2(4-CO2)Ph", +1274,images/1274.png,molecule,ARTK(me3)QTARKSTGY|H-ARTK(me3)QTARKSTGY-NH2,NCCCCC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N)Cc1ccc(cc1)O)C(O)C)CO)NC(=O)C(NC(C(=O)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(N)C)CCCNC(=N)N)CCCC[N+](C)(C)C)CCC(=O)N)C)CCCNC(=N)N +1275,images/1275.png,molecule,"1,2,4-Triazole", +1277,images/1277.png,molecule,Dimethoxymethane|dimethoxymethane,COCOC +1278,images/1278.png,host,Cx4R-(CN)4, +1279,images/1279.png,host,5-[4-[2-(dihydroxyboryl)benzylaminomethyl]benzo..., +1280,images/1280.png,host,5-[4-(2-dihydroxyboryl-benzylamino)-butyroylami..., +1281,images/1281.png,host,5-[4-(2-dihydroxyboryl-benzyl-N-methylamino)-bu..., +1282,images/1282.png,molecule,"2-[carboxymethyl-[(3,4-dihydroxy-9,10-dioxoanthracen-2-yl)methyl]amino]acetic acid|Alizarin complexone",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(=C3)CN(CC(=O)O)CC(=O)O)O)O +1283,images/1283.png,molecule,"4-(2-amino-1-hydroxyethyl)benzene-1,2-diol|D,L-Noradrenaline",C1=CC(=C(C=C1C(CN)O)O)O +1284,images/1284.png,molecule,"4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol|D/L-Adrenaline",CNCC(C1=CC(=C(C=C1)O)O)O +1285,images/1285.png,host,pCx4-OPr, +1286,images/1286.png,host,MeO-pCx4-OPr, +1287,images/1287.png,molecule,"(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride|Ephedrine hydrochloride",CC(C(C1=CC=CC=C1)O)NC.Cl +1288,images/1288.png,molecule,"(-)-Norephedrine hydrochloride|(1R,2R)-(-)-Norpseudoephedrine hydrochloride|(1R,2S)-2-amino-1-phenylpropan-1-ol;hydrochloride",CC(C(C1=CC=CC=C1)O)N.Cl +1289,images/1289.png,molecule,Benzylamine hydrochloride|phenylmethanamine;hydrochloride,C1=CC=C(C=C1)CN.Cl +1290,images/1290.png,molecule,"1,2-phenylenediamine dihydrochloride|benzene-1,2-diamine;dihydrochloride",C1=CC=C(C(=C1)N)N.Cl.Cl +1292,images/1292.png,molecule,2-aminoacetic acid|Glycine|glycine,C(C(=O)O)N +1293,images/1293.png,molecule,D/L-Ala|D/L-Alanine,CC(C(=O)O)N +1294,images/1294.png,molecule,D/L-Leu|D/L-Leucine,CCCC(C(=O)O)N +1295,images/1295.png,molecule,D/L-Pro|D/L-Proline,OC(=O)C1CCCN1 +1296,images/1296.png,molecule,D/L-Trp|D/L-Tryptophan,OC(=O)C(Cc1c[nH]c2c1cccc2)N +1297,images/1297.png,molecule,D/L-Phe|D/L-phenylalanine,NC(C(=O)O)Cc1ccccc1 +1298,images/1298.png,molecule,D/L-Arg|D/L-Arginine,OC(=O)C(CCCNC(=[NH2+])N)N +1299,images/1299.png,molecule,D/L-His|D/L-histidine,NC(C(=O)O)Cc1c[nH]cn1 +1300,images/1300.png,molecule,D/L-Asp|D/L-Aspartic acid,[O-]C(=O)CC(C(=O)O)N +1301,images/1301.png,molecule,D/L-Ser|D/L-Serine,OCC(C(=O)O)N +1302,images/1302.png,host,sCx4-mono(CH2CO2H), +1303,images/1303.png,host,sCx4-mono(CH2CONH2), +1304,images/1304.png,host,sCx4-mono(C2H4NH2), +1305,images/1305.png,host,sCx6-mono(CH2CO2H), +1306,images/1306.png,host,sCx6-mono(CH2CONH2), +1307,images/1307.png,host,sCx6-mono(C2H4NH2), +1308,images/1308.png,host,sCx8-mono(CH2CO2H), +1310,images/1310.png,molecule,(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid|H-Phe-Met-OH,CSCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N +1311,images/1311.png,molecule,(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoic acid|Tyr-met|tyrosylmethionine,CSCCC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)N +1313,images/1313.png,molecule,2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetic acid|Trp-met-gly,CSCCC(C(=O)NCC(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)N +1314,images/1314.png,molecule,((S)-2-amino-3-(4-(aminomethyl)phenyl)propanoyl)-L-methionine|((S)-2-amino-3-(4-(aminomethyl)phenyl)propanoyl...,NCc1ccc(cc1)C[C@@H](C(=O)N[C@H](C(=O)O)CCSC)N +1315,images/1315.png,host,sCx8-mono(CH2CN), +1316,images/1316.png,host,sCx8-mono(C2H4NH2), +1317,images/1317.png,molecule,Mono-methyl viologen Gly4 scaffold,O=C(CC[C@@H](C(=O)NCC(=O)NCC(=O)N)NC(=O)CNC(=O)CNC(=O)C)NCC[n+]1ccc(cc1)c1cc[n+](cc1)C +1318,images/1318.png,molecule,Mono-methyl viologen Gly6 scaffold,O=C(CC[C@@H](C(=O)NCC(=O)NCC(=O)NCC(=O)N)NC(=O)CNC(=O)CNC(=O)CNC(=O)C)NCC[n+]1ccc(cc1)c1cc[n+](cc1)C +1319,images/1319.png,molecule,di-methyl viologen gly4 scaffold, +1320,images/1320.png,molecule,di-methyl viologen gly6 scaffold,O=C(CC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N)CCC(=O)NCC[n+]1ccc(cc1)c1cc[n+](cc1)C)NC(=O)CNC(=O)C)NCC[n+]1ccc(cc1)c1cc[n+](cc1)C +1321,images/1321.png,molecule,tri-methyl viologen scaffold,O=C(CC[C@@H](C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N)CCC(=O)NCC[n+]1ccc(cc1)c1cc[n+](cc1)C)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)C)CCC(=O)NCC[n+]1ccc(cc1)c1cc[n+](cc1)C)NCC[n+]1ccc(cc1)c1cc[n+](cc1)C +1322,images/1322.png,molecule,Mono-Trp Gly4 target,O=C(N[C@H](C(=O)NCC(=O)NCC(=O)N)Cc1c[nH]c2c1cccc2)CNC(=O)CNC(=O)C +1323,images/1323.png,molecule,Mono-Trp Gly6 target,O=C(N[C@H](C(=O)NCC(=O)NCC(=O)NCC(=O)N)Cc1c[nH]c2c1cccc2)CNC(=O)CNC(=O)CNC(=O)C +1325,images/1325.png,molecule,Di-Trp Gly4 target,O=C(NCC(=O)NCC(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N)Cc1c[nH]c2c1cccc2)CNC(=O)CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)CNC(=O)C +1326,images/1326.png,molecule,Di-Trp Gly6 target,O=C(NCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)NCC(=O)NCC(=O)NCC(=O)N)Cc1c[nH]c2c1cccc2)CNC(=O)CNC(=O)CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)CNC(=O)CNC(=O)C +1327,images/1327.png,molecule,Tri-Trp Gly4 target,O=C(CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(=O)O)CC(=O)O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)O)CC(=O)O)Cc1c[nH]c2c1cccc2 +1328,images/1328.png,molecule,P-TPE, +1329,images/1329.png,molecule,TPS, +1330,images/1330.png,molecule,Trimethylamine N-oxide,[O-][N+](C)(C)C +1331,images/1331.png,host,Cx4-(N2-Ph-COOH), +1334,images/1334.png,molecule,"N,N'-dimethyl-1,4-diazabicyclo[2.2.2]octane",C[N+]12CC[N+](CC1)(CC2)C +1335,images/1335.png,host,sCx4-4C, +1337,images/1337.png,molecule,(2S)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid|AM Phe,C1=CC(=CC=C1CC(C(=O)O)N)CN +1338,images/1338.png,molecule,AM Phe-Gly-Gly,NCc1ccc(cc1)C[C@@H](C(=O)NCC(=O)NCC(=O)O)N +1339,images/1339.png,molecule,tBu Phe-Gly-Gly,N[C@H](C(=O)NCC(=O)NCC(=O)O)Cc1ccc(cc1)C(C)(C)C +1340,images/1340.png,molecule,Gly-AM Phe-Gly,NCC(=O)N[C@H](C(=O)NCC(=O)O)Cc1ccc(cc1)CN +1342,images/1342.png,molecule,2-amino-3-(4-tert-butylphenyl)propanoic acid|tBu Phe,CC(C)(C)C1=CC=C(C=C1)CC(C(=O)O)N +1343,images/1343.png,host,"2-[13,29,32-Tris(carboxymethyl)-8,15,27,34-tetr...", +1345,images/1345.png,molecule,Diamantane diammonium-6,C[N+](C)(C)C12C[C@H]3[C@@H]4CC(C5)([N+](C)(C)C)C[C@H]3[C@H](C2)[C@@H]5[C@@H]4C1 +1348,images/1348.png,molecule,"Ferrocene|cyclopenta-1,3-diene;iron(2+)",[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2] +1349,images/1349.png,host,TMR-CB7, +1350,images/1350.png,molecule,D/L-Ornithine,O=C(O)C(N)CCCN +1351,images/1351.png,molecule,D/L-Tyrosine,OC(=O)C(Cc1ccc(cc1)O)N +1353,images/1353.png,molecule,Cyclic sulfenamide-2a,CC1=C(OCC(F)(F)F)C=C[N+]2=C1CSN3C2=NC4=CC=CC=C43 +1354,images/1354.png,molecule,2-aminofluorene|2AF,Nc1ccc2-c3c(Cc2c1)cccc3 +1355,images/1355.png,molecule,2AHF, +1360,images/1360.png,host,sCx4-TEG-NBD, +1361,images/1361.png,host,sCx4-TEG-N3, +1362,images/1362.png,molecule,"(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoic acid|Lys-lys|lysyllysine",C(CCN)CC(C(=O)NC(CCCCN)C(=O)O)N +1363,images/1363.png,molecule,(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid|Arg-arg|Arginylarginine,C(CC(C(=O)NC(CCCN=C(N)N)C(=O)O)N)CN=C(N)N +1364,images/1364.png,molecule,"(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoic acid|L-Lys-Lys-Lys|Lysyllysyllysine",C(CCN)CC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)N +1365,images/1365.png,molecule,(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid|Arginyl-arginyl-arginine|L-Arg-Arg-Arg,C(CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)N)CN=C(N)N +1366,images/1366.png,molecule,"2-(2,6-diaminohexanoylamino)-5-(diaminomethylideneamino)pentanoic acid|Lys-arg|Lysylarginine",C(CCN)CC(C(=O)NC(CCCN=C(N)N)C(=O)O)N +1367,images/1367.png,molecule,(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid|Arg-Lys|arginyllysine,C(CCN)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)N +1368,images/1368.png,molecule,N-methyl pyridinium,C[n+]1ccccc1 +1369,images/1369.png,molecule,"5,6-dihydropyrazino[1,2,3,4-lmn]-1,10-phenanthr...", +1370,images/1370.png,host,(2-(((anthracen-9-ylmethyl)(methyl)amino)methyl..., +1371,images/1371.png,host,(2-((((10-formylanthracen-9-yl)methyl)(methyl)a..., +1372,images/1372.png,molecule,H-Leu-Arg-Arg-Trp-pSer-Leu-Gly-OH, +1373,images/1373.png,host,sCx4-5C, +1374,images/1374.png,host,o-(Me)2-2.2.1, +1377,images/1377.png,host,o-(Me)2-2.1.1, +1379,images/1379.png,host,o-(Me)2-1.1.1, +1380,images/1380.png,host,o-(Me)2-2.2.2, +1381,images/1381.png,host,all-cis Hexafluorocyclohexane, +1382,images/1382.png,host,"1-methoxy-2,3,4,5,6-pentafluorocyclohexane", +1384,images/1384.png,molecule,(2S)-2-aminopropanoic acid|L-Alanine,CC(C(=O)O)N +1385,images/1385.png,molecule,(2S)-2-amino-3-methylbutanoic acid|L-Val|L-Valine,CC(C)C(C(=O)O)N +1386,images/1386.png,molecule,(2S)-2-amino-4-methylpentanoic acid|L-Leu|L-Leucine,CC(C)CC(C(=O)O)N +1387,images/1387.png,molecule,L-Threonine, +1388,images/1388.png,molecule,2-[(2-aminoacetyl)amino]acetic acid|Gly-Gly|Glycylglycine,C(C(=O)NCC(=O)O)N +1389,images/1389.png,molecule,(2S)-2-[(2-aminoacetyl)amino]propanoic acid|Gly-L-Ala|Glycyl-l-alanine,CC(C(=O)O)NC(=O)CN +1390,images/1390.png,molecule,Gly-L-Leu, +1392,images/1392.png,molecule,L-Leu-L-Ala, +1393,images/1393.png,molecule,2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetyl]amino]acetic acid|Leu-Gly-Gly|Leucyl-glycyl-glycine,CC(C)CC(C(=O)NCC(=O)NCC(=O)O)N +1394,images/1394.png,molecule,(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoic acid|Gly-L-Val|Glycyl-l-valine,CC(C)C(C(=O)O)NC(=O)CN +1395,images/1395.png,molecule,2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetic acid|Gly-Gly-Gly|Triglycine,C(C(=O)NCC(=O)NCC(=O)O)N +1396,images/1396.png,host,sCx6-sodium salt, +1397,images/1397.png,molecule,H-Leu-Arg-Arg-Trp-Ser-Leu-Gly-OH, +1398,images/1398.png,molecule,H-Trp-Lys-Arg-Thr-Leu-Arg-Arg-Leu-OH,NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)CCCNC(=N)N)CCCNC(=N)N)CC(C)C)[C@H](O)C)CCCNC(=N)N)NC(=O)C(Cc1c[nH]c2c1cccc2)N +1399,images/1399.png,molecule,H-Trp-Lys-Arg-pThr-Leu-Arg-Arg-Leu-OH, +1400,images/1400.png,molecule,L-Leu-Gly|L-Leucylglycine,CC(C[C@@H](C(=O)NCC(=O)O)N)C +1402,images/1402.png,molecule,Cinchonine,[H][C@@]1(C=C)[C@@H]2C[C@@]([C@@H](O)C3=CC=NC4=CC=CC=C43)([H])[N@](C1)CC2 +1403,images/1403.png,molecule,Quinine,[H][C@@]1(C=C)[C@@H]2C[C@]([C@H](O)C3=CC=NC4=CC=C(OC)C=C43)([H])[N@](C1)CC2 +1404,images/1404.png,molecule,Cinchonidine,[H][C@@]1(C=C)[C@@H]2C[C@]([C@H](O)C3=CC=NC4=CC=CC=C43)([H])[N@](C1)CC2 +1405,images/1405.png,molecule,Quinidine,[H][C@@]1(C=C)[C@@H]2C[C@@]([C@@H](O)C3=CC=NC4=CC=C(OC)C=C43)([H])[N@](C1)CC2 +1406,images/1406.png,molecule,2-nitrobenzylmethylethercholine, +1410,images/1410.png,molecule,Ethyl acetate|ethyl acetate,CCOC(=O)C +1411,images/1411.png,molecule,Ascorbic Acid, +1413,images/1413.png,molecule,norfloxacin, +1414,images/1414.png,molecule,(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid|Ferulic acid|trans-Ferulic acid,COC1=C(C=CC(=C1)C=CC(=O)O)O +1415,images/1415.png,molecule,1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid|Norfloxacin,CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O +1416,images/1416.png,molecule,"1,1'-(oxybis(ethane-2,1-diyl))bispyridinium bro...|1,1'-(oxybis(ethane-2,1-diyl))bispyridinium bromide",O(CC[n+]1ccccc1)CC[n+]1ccccc1.[Br-].[Br-] +1417,images/1417.png,molecule,Lidocaine hydrochloride, +1418,images/1418.png,molecule,"2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide|Lidocaine",CCN(CC)CC(=O)NC1=C(C=CC=C1C)C +1419,images/1419.png,molecule,4-amino-N-[2-(diethylamino)ethyl]benzamide;hydrochloride|Procainamide hydrochloride|procainamide hydrochloride,CCN(CC)CCNC(=O)C1=CC=C(C=C1)N.Cl +1420,images/1420.png,molecule,Phenyltrimethylammonium Chloride|trimethyl(phenyl)azanium;chloride,C[N+](C)(C)C1=CC=CC=C1.[Cl-] +1422,images/1422.png,molecule,MVI2|methyl viologen diiodide,C[n+]1ccc(cc1)c1cc[n+](cc1)C.[I-].[I-] +1423,images/1423.png,host,sCx4 sodium salt, +1424,images/1424.png,molecule,"4,4'-Dipyridine", +1425,images/1425.png,molecule,"2,2'-Bipyridine|2,2'-bipyridine|2-pyridin-2-ylpyridine",C1=CC=NC(=C1)C2=CC=CC=N2 +1426,images/1426.png,molecule,propylamine (protonated form)|propylammonium,CCC[NH3+] +1427,images/1427.png,molecule,butylammonium, +1428,images/1428.png,molecule,"1,4-diaminobutane (protonated form)|1,4-diammoniumbutane",[NH3+]CCCC[NH3+] +1430,images/1430.png,molecule,"1,5-PENTANEDIOL", +1431,images/1431.png,molecule,"1,4-Butandiol|1,4-butanediol|butane-1,4-diol",C(CCO)CO +1432,images/1432.png,molecule,2-methylpyridine, +1433,images/1433.png,molecule,4-methylpyridine,CC1=CC=NC=C1 +1434,images/1434.png,molecule,"2,6-Dimethylpyridine|2,6-dimethylpyridine",CC1=NC(=CC=C1)C +1435,images/1435.png,molecule,2-(trimethylazaniumyl)acetate|Betaine|Trimethylglycine,C[N+](C)(C)CC(=O)[O-] +1436,images/1436.png,molecule,2-Aminopyridine|pyridin-2-amine,C1=CC=NC(=C1)N +1437,images/1437.png,molecule,4-Aminopyridine, +1438,images/1438.png,molecule,2-Chloropyridine|2-chloropyridine,C1=CC=NC(=C1)Cl +1440,images/1440.png,molecule,"2,6-Dichloropyridine", +1441,images/1441.png,molecule,"2,6-Pyridinedicarboxylic acid|2,6-pyridinedicarboxylic acid|pyridine-2,6-dicarboxylic acid",C1=CC(=NC(=C1)C(=O)O)C(=O)O +1442,images/1442.png,molecule,4-Pyridinecarboxaldehyde|4-pyridinecarboxaldehyde|pyridine-4-carbaldehyde,C1=CN=CC=C1C=O +1444,images/1444.png,molecule,"c = + 0.0 — 10.4 µM|clodronate",ClC(P(=O)([O-])[O-])(P(=O)([O-])[O-])Cl +1446,images/1446.png,host,P6A-(CH2COOH), +1447,images/1447.png,host,sP6A, +1450,images/1450.png,host,P5A-(C3H6SO3), +1451,images/1451.png,host,sP5A, +1452,images/1452.png,molecule,Fluorescein, +1459,images/1459.png,host,sP7A, +1460,images/1460.png,molecule,zoledronate, +1461,images/1461.png,molecule,etidronate,CC(P(=O)([O-])[O-])(P(=O)([O-])[O-])O +1462,images/1462.png,host,P5A-COOH, +1463,images/1463.png,molecule,tiludronate, +1464,images/1464.png,molecule,risedronate, +1465,images/1465.png,molecule,"c = + 0.0 — 17.0 µM|pamidronate",NCCC(P(=O)(O)O)(P(=O)(O)O)O +1466,images/1466.png,molecule,ibandronate,CCCCCN(CCC(P(=O)(O)O)(P(=O)(O)O)O)C +1467,images/1467.png,molecule,alendronate, +1468,images/1468.png,molecule,neridronate, +1470,images/1470.png,molecule,AlPcS4, +1471,images/1471.png,molecule,"5, 10, 15, 20-Tetrakis-(4-sulfonatophenyl)-porp...", +1472,images/1472.png,molecule,RB|rose bengal,Clc1c(Cl)c(Cl)c(c(c1Cl)C(=O)[O-])c1c2-c(oc3c1cc(I)c(c3I)[O-])c(c(=O)c(c2)I)I.[Na+].[Na+] +1473,images/1473.png,molecule,Adenosine triphosphate, +1475,images/1475.png,molecule,EY, +1476,images/1476.png,molecule,lysophosphatidic acid,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])O.[Na+].[Na+] +1477,images/1477.png,host,sCx4-6C, +1478,images/1478.png,host,sCx6-12C, +1486,images/1486.png,molecule,4-ammoniumbutanoate|gamma-Aminobutanoate (protonated form),[NH3+]CCCC(=O)[O-] +1487,images/1487.png,molecule,5-Aminovaleric acid|5-aminopentanoic acid|5-aminovaleric acid,C(CCN)CC(=O)O +1488,images/1488.png,molecule,"2,4-diaminobutanoate (protonated form)|2,4-diammoniumbutanoate",[NH3+]CCCCC(=O)[O-] +1489,images/1489.png,molecule,"2,6-diammoniumhexanoate", +1490,images/1490.png,molecule,5-aminopentanoate|5-azaniumylpentanoate,C(CC[NH3+])CC(=O)[O-] +1491,images/1491.png,molecule,6-aminohexanoate, +1492,images/1492.png,molecule,"cyclohexane-1,4-diaminium chloride",[NH3+][C@@H]1CC[C@H](CC1)[NH3+].[Cl-].[Cl-] +1493,images/1493.png,molecule,"(trimethyl-azaneyl)cyclohexane|1,4-bis(trimethyl-l4-azaneyl)cyclohexane",C[N+]([C@@H]1CC[C@H](CC1)[N+](C)(C)C)(C)C.[I-].[I-] +1494,images/1494.png,molecule,"N,N,N-trimethylhexan-1-aminium bromide|Trimethylhexan-1-aminium bromide",CCCCCC[N+](C)(C)C.[Br-] +1495,images/1495.png,molecule,"propane-1,3-diaminium chloride",[NH3+]CCC[NH3+].[Cl-].[Cl-] +1496,images/1496.png,molecule,"pentane-1,5-diaminium chloride", +1497,images/1497.png,molecule,"N1,N1,N1,N4,N4,N4-hexamethylbutane-1,4-diaminium iodide|hexamethylbutane-1,4-diaminium iodide",C[N+](CCCC[N+](C)(C)C)(C)C.[I-].[I-] +1498,images/1498.png,molecule,"N1,N1,N1,N5,N5,N5-hexamethylpentane-1,5-diaminium iodide|hexamethylpentane-1,5-diaminium iodide",C[N+](CCCCC[N+](C)(C)C)(C)C.[I-].[I-] +1499,images/1499.png,molecule,cyclohexanaminium chloride,[NH3+]C1CCCCC1.[Cl-] +1500,images/1500.png,molecule,"6-azaniumylhexylazanium;dichloride|Hexanediamine dihydrochloride|hexane-1,6-diaminium chloride",C(CCC[NH3+])CC[NH3+].[Cl-].[Cl-] +1501,images/1501.png,molecule,Guanidinium, +1502,images/1502.png,molecule,Methylguanidinium|diaminomethylidene(methyl)azanium,C[NH+]=C(N)N +1503,images/1503.png,molecule,ethylguanidinium,CCNC(=[NH2+])N +1508,images/1508.png,host,SBE7-β-CD, +1509,images/1509.png,molecule,rimantadine, +1510,images/1510.png,host,Molecular Tweezer-lithium diphosphate, +1513,images/1513.png,host,Molecular Tweezer-sodium dimethylphosphonate, +1514,images/1514.png,host,Molecular Tweezer-sodium disulfonate, +1515,images/1515.png,host,Molecular Tweezer-sodium diacetate, +1516,images/1516.png,molecule,"(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]propanoic acid|H-Lys-Ala-Ala-OH|KAA",CC(C(=O)NC(C)C(=O)O)NC(=O)C(CCCCN)N +1517,images/1517.png,molecule,H-Lys-Leu-Val-Phe-Phe-OH|KLVFF,NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)Cc1ccccc1)C(C)C)CC(C)C)N +1518,images/1518.png,molecule,H-Lys-Lys-Leu-Val-Phe-Phe-OH|KKLVFF,NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)Cc1ccccc1)C(C)C)CC(C)C)NC(=O)[C@H](CCCCN)N +1520,images/1520.png,molecule,H-Lys-Lys-Leu-Val-Phe-Phe-Ala-Lys-OH|KKLVFFAK,NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCCN)C)Cc1ccccc1)Cc1ccccc1)C(C)C)CC(C)C)NC(=O)[C@H](CCCCN)N +1523,images/1523.png,host,sCx6-6C, +1525,images/1525.png,molecule,(2S)-2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]butanedioic acid|Arginylglycylaspartic acid|RGD,C(CC(C(=O)NCC(=O)NC(CC(=O)O)C(=O)O)N)CN=C(N)N +1528,images/1528.png,molecule,Ac-Lys-OMe|N-acetyl-L-lysine methyl ester hydrochloride|methyl (2S)-2-acetamido-6-aminohexanoate;hydrochloride,CC(=O)NC(CCCCN)C(=O)OC.Cl +1529,images/1529.png,molecule,"(2S)-2,6-diaminohexanoic acid;hydrochloride|H-Lys-OH|L-lysine hydrochloride",C(CCN)CC(C(=O)O)N.Cl +1530,images/1530.png,molecule,H-Arg-OMe, +1531,images/1531.png,molecule,Ac-Arg-OMe|N-acetyl-L-arginine methyl ester hydrochloride|methyl (2S)-2-acetamido-5-(diaminomethylideneamino)pentanoate;hydrochloride,CC(=O)NC(CCCN=C(N)N)C(=O)OC.Cl +1532,images/1532.png,molecule,(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride|H-Arg-OH|L-arginine hydrochloride,C(CC(C(=O)O)N)CN=C(N)N.Cl +1534,images/1534.png,molecule,picoplatin,Cc1ccccn1.[Cl-].[Cl-].[Pt+2].N +1537,images/1537.png,host,ChCx5-12C, +1539,images/1539.png,host,ChCx4-12C, +1541,images/1541.png,molecule,L-lysyl-L-lysyl-L-lysyl-L-lysine,NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCCN)CCCCN)NC(=O)[C@H](CCCCN)N +1542,images/1542.png,molecule,cRGDfV, +1544,images/1544.png,host,sCx5 sodium salt, +1545,images/1545.png,host,stCx4 sodium salt, +1546,images/1546.png,molecule,Tb3+|Terbium cation|terbium(3+),[Tb+3] +1548,images/1548.png,molecule,"Dimethylhexane-1,6-diaminium chloride|N1,N6-dimethylhexane-1,6-diaminium chloride",C[NH2+]CCCCCC[NH2+]C.[Cl-].[Cl-] +1549,images/1549.png,molecule,"N1,N1,N6,N6-tetramethylhexane-1,6-diaminium chloride|Tetramethylhexane-1,6-diaminium chloride",C[NH+](CCCCCC[NH+](C)C)C.[Cl-].[Cl-] +1550,images/1550.png,molecule,"Hexamethylhexane-1,6-diaminium chloride|N1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium chloride",C[N+](CCCCCC[N+](C)(C)C)(C)C.[Cl-].[Cl-] +1551,images/1551.png,molecule,"1,4-phenylenedimethanaminium chloride",[NH3+]Cc1ccc(cc1)C[NH3+].[Cl-].[Cl-] +1552,images/1552.png,molecule,"(1,4-phenylene)bis(trimethylmethanaminium) bromide|1,1'-(1,4-phenylene)bis(N,N,N-trimethylmethanaminium) bromide",C[N+](Cc1ccc(cc1)C[N+](C)(C)C)(C)C.[Br-].[Br-] +1553,images/1553.png,molecule,ARTKQTAY, +1554,images/1554.png,molecule,ARTK(me3)QTAY|H-ARTK(me3)QTAY-NH2,NC(=O)CCC(C(=O)NC(C(=O)NC(=O)C(NC(C(=O)N)Cc1ccc(cc1)O)C)C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)CCCC[N+](C)(C)C +1555,images/1555.png,molecule,TARKSTGY, +1556,images/1556.png,molecule,TARK(me3)STGY, +1557,images/1557.png,molecule,GGVKKPHY, +1558,images/1558.png,molecule,GGVK(me3)KPHY|H-GGVK(me3)KPHY-NH2,[NH3+]CCCCC(C(=O)N1CCCC(=O)C1NC(=O)C(NC(C(=O)N)Cc1ccc(cc1)O)Cc1nc[nH]c1)NC(=O)C(NC(=O)C(C(C)C)NC(=O)CNC(=O)C[NH3+])CCCC[N+](C)(C)C +1559,images/1559.png,host,sCx4-strappedCH2CH2O, +1560,images/1560.png,host,meso-Cx4-di(OPr)CHOHPO3H2, +1561,images/1561.png,molecule,L-Ile, +1563,images/1563.png,molecule,Cobaltocenium, +1564,images/1564.png,molecule,Cobaltocene hexafluorophosphate, +1566,images/1566.png,molecule,"diammonium-1,5-pentane chloride",[NH3+]CCCCC[NH3+].[Cl-].[Cl-] +1567,images/1567.png,host,sCX4-di(C2OC2), +1568,images/1568.png,host,sCX4-CH2CON(Me)2, +1569,images/1569.png,host,sCX4-(C2O-C2), +1572,images/1572.png,host,sCX4-CCOOH, +1573,images/1573.png,host,sCx4-di(CH2COOH), +1574,images/1574.png,host,Cx4-CH2COOH, +1575,images/1575.png,molecule,La3+|Lanthanum cation|lanthanum(3+),[La+3] +1576,images/1576.png,host,sCx4-CH2-COOH-twisted, +1579,images/1579.png,molecule,Tetramethylammonium bromide|tetramethylazanium;bromide,C[N+](C)(C)C.[Br-] +1580,images/1580.png,molecule,trans-Merocyanine (protonated), +1581,images/1581.png,molecule,trans-Merocyanine, +1582,images/1582.png,molecule,Hexyltrimethylammonium bromide|hexyl(trimethyl)azanium;bromide,CCCCCC[N+](C)(C)C.[Br-] +1583,images/1583.png,molecule,Octyltrimethylammonium bromide|trimethyl(octyl)azanium;bromide,CCCCCCCC[N+](C)(C)C.[Br-] +1584,images/1584.png,molecule,Decyltrimethylammonium bromide|decyl(trimethyl)azanium;bromide,CCCCCCCCCC[N+](C)(C)C.[Br-] +1585,images/1585.png,molecule,Dodecyltrimethylammonium bromide|dodecyl(trimethyl)azanium;bromide,CCCCCCCCCCCC[N+](C)(C)C.[Br-] +1586,images/1586.png,molecule,Tetradecyltrimethylammonium bromide|trimethyl(tetradecyl)azanium;bromide,CCCCCCCCCCCCCC[N+](C)(C)C.[Br-] +1587,images/1587.png,molecule,Cetrimonium bromide|hexadecyl(trimethyl)azanium;bromide,CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-] +1588,images/1588.png,molecule,Octyldecyltrimethylammonium bromide|Stearyltrimethylammonium Bromide|trimethyl(octadecyl)azanium;bromide,CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-] +1589,images/1589.png,molecule,"[2,2'-bipyridin]-5-amine", +1590,images/1590.png,molecule,4-(2-pyridyl)aniline|4-pyridin-2-ylaniline,C1=CC=NC(=C1)C2=CC=C(C=C2)N +1591,images/1591.png,molecule,Tetrakis(pyridin-4-ylsulfanyl)-phthalocyaninato zinc(II)|Tetrakis(pyridin-4-ylsulfanyl)-phthalocyaninato...,C[N+](C=C1)=CC=C1SC2=CC(C(C=C2)=C3N=C(C4=C5C=CC(SC6=CC=[N+](C)C=C6)=C4)[N+]7=C5N=C8C(C=C(SC9=CC=[N+](C)C=C9)C=C%10)=C%10C%11=NC%12=[N+]%13[Zn-2](N3%14)7N8%11)=C%14N=C%13C%15=C%12C=C(SC%16=CC=[N+](C)C=C%16)C=C%15 +1592,images/1592.png,molecule,Gadolinium ion|Gadolinium(3+)|gadolinium(3+),[Gd+3] +1593,images/1593.png,molecule,Zinc cation|Zn2+|zinc(2+),[Zn+2] +1594,images/1594.png,molecule,Europium(3+)|europium(3+),[Eu+3] +1596,images/1596.png,molecule,1-Adamantylammonium chloride|1-adamantylazanium;chloride,C1C2CC3CC1CC(C2)(C3)[NH3+].[Cl-] +1597,images/1597.png,molecule,1-Acetamidonaphthalene|1-acetamidonaphthalene|N-naphthalen-1-ylacetamide,CC(=O)NC1=CC=CC2=CC=CC=C21 +1598,images/1598.png,molecule,1-Adamantane acetate|1-Adamantane acetate potassium salt,[O-]C(=O)CC12C[C@@H]3C[C@H](C2)C[C@H](C1)C3.[K+] +1599,images/1599.png,molecule,"3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one|Phenolphthalein",C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O +1601,images/1601.png,molecule,1-adamantane carboxylate,O=C([O-])C12C[C@@H]3C[C@H](C1)C[C@H](C2)C3 +1602,images/1602.png,molecule,Urea, +1603,images/1603.png,molecule,2-Adamantylamine hydrochloride|adamantan-2-amine;hydrochloride,C1C2CC3CC1CC(C2)C3N.Cl +1604,images/1604.png,molecule,4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol;trihydrochloride|Hoechst Dye 33258|Pibenzimol HCl,CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)O.Cl.Cl.Cl +1605,images/1605.png,molecule,Piperazine, +1606,images/1606.png,molecule,"1,4-Diazepane|1,4-diazepane|Homopiperazine",C1CNCCNC1 +1607,images/1607.png,molecule,"1,5-diazacyclooctane|1,5-diazocane",C1CNCCCNC1 +1609,images/1609.png,molecule,p-Nitrobenzyltrimethylammonium,C[N+](C)(C)CC1=CC=C([N+]([O-])=O)C=C1 +1610,images/1610.png,host,Au-Cx5P-PTA, +1611,images/1611.png,host,Cx4P-bis(Ph-CCH), +1612,images/1612.png,molecule,TBACl|Tetrabutylammonium chloride|tetrabutylazanium;chloride,CCCC[N+](CCCC)(CCCC)CCCC.[Cl-] +1613,images/1613.png,molecule,Methyltrioctylammonium chloride, +1614,images/1614.png,host,Cx4R-C5, +1615,images/1615.png,host,Cx4R-C2, +1616,images/1616.png,molecule,2-hydroxyethyl(trimethyl)azanium|Choline,C[N+](C)(C)CCO +1617,images/1617.png,molecule,(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate|L-carnitine,C[N+](C)(C)CC(CC(=O)[O-])O +1618,images/1618.png,molecule,2-carbamoyloxyethyl(trimethyl)azanium|Carbamylcholine,C[N+](C)(C)CCOC(=O)N +1620,images/1620.png,molecule,Phenyltrimethylammonium|trimethyl(phenyl)azanium,C[N+](C)(C)C1=CC=CC=C1 +1621,images/1621.png,molecule,Acetylthiocholine, +1622,images/1622.png,molecule,"3,3-dimethylbutan-2-yloxy(methyl)phosphinic acid|Pinacolyl methylphosphonic acid",CC(C(C)(C)C)OP(=O)(C)O +1623,images/1623.png,molecule,1-[ethoxy(methyl)phosphoryl]oxyethane|Diethyl methylphosphonate,CCOP(=O)(C)OCC +1624,images/1624.png,molecule,Diisopropyl methylphosphonate, +1625,images/1625.png,molecule,Soman, +1626,images/1626.png,molecule,6-amino hexanoic acid|6-aminohexanoic acid,C(CCC(=O)O)CCN +1627,images/1627.png,molecule,8-amino octanoic acid|8-aminooctanoic acid,C(CCCC(=O)O)CCCN +1629,images/1629.png,molecule,gly-l-asn, +1630,images/1630.png,molecule,(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-phenylpropanoic acid|L-Leu-L-Phe|l-leucyl-l-phenylalanine,CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N +1632,images/1632.png,molecule,Gly-L-His, +1633,images/1633.png,molecule,Glutathione, +1634,images/1634.png,molecule,dl-Leu-Gly-dl-Phe, +1635,images/1635.png,host,sMeCx4, +1636,images/1636.png,host,sMeCx5, +1637,images/1637.png,molecule,Succinylcholine|trimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium,C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C +1638,images/1638.png,host,Cx4R [4-], +1639,images/1639.png,molecule,11-aminoundecanoic acid,C(CCCCCN)CCCCC(=O)O +1640,images/1640.png,molecule,2-[(2-amino-3-phenylpropanoyl)amino]acetic acid|L-Phe-Gly|Phenylalanylglycine,C1=CC=C(C=C1)CC(C(=O)NCC(=O)O)N +1641,images/1641.png,molecule,2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetic acid|Tyr-gly|Tyrosyl-Glycine,C1=CC(=CC=C1CC(C(=O)NCC(=O)O)N)O +1643,images/1643.png,molecule,2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetic acid|Trp-Gly|Tryptophyl-Glycine,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC(=O)O)N +1645,images/1645.png,molecule,Tetraethylammonium bromide, +1647,images/1647.png,molecule,Al3+|Aluminum cation|aluminum(3+),[Al+3] +1649,images/1649.png,molecule,Gallium cation|gallium(3+),[Ga+3] +1650,images/1650.png,host,Bn12BU, +1653,images/1653.png,molecule,bis(acetoxy)iodate(I),CC(O[I-]OC(C)=O)=O +1654,images/1654.png,host,sCx4, +1655,images/1655.png,molecule,Tetrabutylammonium methanesulfonate|methanesulfonate;tetrabutylazanium,CCCC[N+](CCCC)(CCCC)CCCC.CS(=O)(=O)[O-] +1656,images/1656.png,molecule,bis(3-phenylpropanoyloxy)iodate(I), +1657,images/1657.png,molecule,"bis(5-(4-((trityloxy)methyl)-1H-1,2,3-triazol-1-yl)pentanoyloxy)iodate(I)|trityl triazole iodane",O=C(O[I]OC(=O)CCCCn1nnc(c1)COC(c1ccccc1)(c1ccccc1)c1ccccc1)CCCCn1nnc(c1)COC(c1ccccc1)(c1ccccc1)c1ccccc1 +1661,images/1661.png,molecule,Co 2+|Cobalt(2+)|cobalt(2+),[Co+2] +1662,images/1662.png,molecule,Ni 2+|Nickel(2+)|nickel(2+),[Ni+2] +1663,images/1663.png,molecule,Copper cation|Cu2+|copper(2+),[Cu+2] +1664,images/1664.png,molecule,"(2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid|Baicalin",C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O +1665,images/1665.png,molecule,Gly-Trp|Glycyl-dl-Tryptophan,NCC(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2 +1666,images/1666.png,molecule,2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoic acid|Glycyltyrosine,C1=CC(=CC=C1CC(C(=O)O)NC(=O)CN)O +1667,images/1667.png,molecule,2-[(2-aminoacetyl)amino]-3-phenylpropanoic acid|Gly-Phe|Glycyl-phenylalanine,C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CN +1668,images/1668.png,molecule,L-Leu-L-Trp, +1669,images/1669.png,molecule,L-Leu-L-Val, +1670,images/1670.png,molecule,"2,4,6-triphenylpyrylium tetrafluoroborate", +1671,images/1671.png,molecule,Morin, +1672,images/1672.png,molecule,Trimebutine maleate, +1673,images/1673.png,molecule,Ferroceneacroboxylate,[][Fe][].[O-]C(c1cccc1)=O.c2cccc2 +1674,images/1674.png,molecule,2-naphtalenecarboxylate,[O-]C(=O)c1ccc2c(c1)cccc2 +1676,images/1676.png,molecule,1-adamantyltrimethylammonium,C[N+](C12C[C@@H]3C[C@H](C2)C[C@H](C1)C3)(C)C +1678,images/1678.png,molecule,"2-((1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl)acetate|bicyclo[2.2.1]heptan-2-yl)acetate",[O-]C(=O)C[C@H]1C[C@@H]2C[C@H]1CC2 +1679,images/1679.png,molecule,Cyclopentanol|cyclopentanol,C1CCC(C1)O +1680,images/1680.png,molecule,Cyclobutanol|cyclobutanol,C1CC(C1)O +1681,images/1681.png,molecule,Cycloheptanol|cycloheptanol,C1CCCC(CC1)O +1682,images/1682.png,molecule,Cyclooctanol|cyclooctanol,C1CCCC(CCC1)O +1684,images/1684.png,molecule,2-Methylpropanoate|2-methylpropanoate,CC(C)C(=O)[O-] +1685,images/1685.png,molecule,(+/-)-2-methylbutanoate, +1686,images/1686.png,molecule,Pentanoate|pentanoate,CCCCC(=O)[O-] +1687,images/1687.png,molecule,Hexanoate|hexanoate,CCCCCC(=O)[O-] +1688,images/1688.png,molecule,trans-3-hexenoate, +1689,images/1689.png,molecule,trans-2-hexenoate,[O-]C(=O)/C=C/CCC +1690,images/1690.png,molecule,Heptanoate|heptanoate,CCCCCCC(=O)[O-] +1691,images/1691.png,molecule,6-heptenoate,C=CCCCCC(=O)[O-] +1692,images/1692.png,molecule,Octanoate|octanoate,CCCCCCCC(=O)[O-] +1698,images/1698.png,molecule,Butanoate,[O-]C(=O)CCC +1699,images/1699.png,molecule,N-methylbutan-1-aminium,CCCC[NH2+]C +1700,images/1700.png,molecule,1-methylbutylammonium,CCCC([NH3+])C +1701,images/1701.png,molecule,N-Methylhexylammonium, +1702,images/1702.png,molecule,1-Methylhexylammonium,CCCCCC([NH3+])C +1704,images/1704.png,molecule,Benzoate|benzoate,C1=CC=C(C=C1)C(=O)[O-] +1706,images/1706.png,molecule,3-phenylbutanoate,CC(CC(=O)[O-])C1=CC=CC=C1 +1707,images/1707.png,molecule,4-Phenylbutanoate,[O-]C(=O)CCCc1ccccc1 +1709,images/1709.png,molecule,3-methylphenylacetate,[O-]C(=O)Cc1cccc(c1)C +1710,images/1710.png,molecule,4-methylphenylacetate,[O-]C(=O)Cc1ccc(cc1)C +1711,images/1711.png,molecule,3-Methoxyphenylacetate,COc1cccc(c1)CC(=O)[O-] +1712,images/1712.png,molecule,4-methoxyphenylacetate, +1713,images/1713.png,molecule,1-methylcyclohexan-1-ol|1-methylcyclohexanol,CC1(CCCCC1)O +1714,images/1714.png,molecule,"(1S,2R)-2-methylcyclohexan-1-ol|Cis-2-methylcyclohexanol|cis-2-Methylcyclohexanol",CC1CCCCC1O +1715,images/1715.png,molecule,"(1R,2R)-2-methylcyclohexan-1-ol|Trans-2-methylcyclohexanol",CC1CCCCC1O +1716,images/1716.png,molecule,phenylacetate,[O-]C(=O)Cc1ccccc1 +1717,images/1717.png,molecule,3-methylcyclohexan-1-ol|3-methylcyclohexanol,CC1CCCC(C1)O +1721,images/1721.png,molecule,cis-4-methylcyclohexanol,C[C@@H]1CC[C@@H](CC1)O +1722,images/1722.png,molecule,trans-4-methylcyclohexanol,C[C@@H]1CC[C@H](CC1)O +1727,images/1727.png,molecule,Fluconazole, +1731,images/1731.png,molecule,1-Hexylammonium, +1732,images/1732.png,molecule,octan-2-aminium,CCCCCCC([NH3+])C +1734,images/1734.png,molecule,(D/L)-Phe-perylene-diimides, +1735,images/1735.png,molecule,Dimethyl carbonate,COC(=O)OC +1736,images/1736.png,molecule,"2-methyl-1,3-dioxolane|Methyldioxolane",CC1OCCO1 +1738,images/1738.png,host,PEG12BU, +1739,images/1739.png,molecule,"1,4-dioxene",C1COC=CO1 +1742,images/1742.png,molecule,"2,3-diazabicyclo[3.2.2]non-2-ene", +1743,images/1743.png,molecule,1-isopropyl-4-methyl-diazabicyclooctaene, +1744,images/1744.png,molecule,"1-phenyl-2,3-diazabicyclo[2.2.2]oct-2-ene", +1748,images/1748.png,host,i-Cx4-3C, +1749,images/1749.png,molecule,"1,8-naphthalimide dicarboxylate",[O-]C(CN(CC([O-])=O)CCN1C(C2=CC=CC3=CC=CC(C1=O)=C23)=O)=O.[Na+].[Na+] +1751,images/1751.png,molecule,Citrate,[O-]C(=O)C(CC(=O)[O-])(CC(=O)[O-])O +1752,images/1752.png,molecule,Tartrate,OC(C(C(=O)[O-])O)C(=O)[O-] +1754,images/1754.png,molecule,Disodium sulfide|Sodium sulfide|Sodium sulfide hydrate,[Na+].[Na+].[S-2] +1755,images/1755.png,molecule,Sodium hydrosulfide hydrate|sodium;sulfanide;hydrate,O.[Na+].[SH-] +1756,images/1756.png,molecule,TBABr|Tetrabutylammonium bromide,CCCC[N+](CCCC)(CCCC)CCCC.[Br-] +1757,images/1757.png,molecule,CESIUM BROMIDE|Cesium bromide|cesium;bromide,[Br-].[Cs+] +1759,images/1759.png,host,Potassium iodide, +1760,images/1760.png,molecule,Thiophene|thiophene,C1=CSC=C1 +1761,images/1761.png,molecule,Oxazole, +1764,images/1764.png,molecule,2-Naphthyl-polyethylene-glycol|2-Naphthyl-polyethylene-glycol-polymer,O=C(NC1=CC2=CC=CC=C2C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC +1774,images/1774.png,molecule,Tetrabutylammonium periodate, +1778,images/1778.png,host,c = 700.0 µM|c = 770.0 µM, +1779,images/1779.png,host,c = 770.0 µM, +1789,images/1789.png,host,Bn12F60Bambu, +1794,images/1794.png,molecule,1-butyl-3-methylimidazol-3-ium;hexafluorophosphate|1-butyl-3-methylimidazolium hexafluorophosphate|[C4mim][PF6],CCCCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F +1801,images/1801.png,molecule,(2R)-[4-(2-Methylpropyl)phenyl]propanoate,CC(Cc1cccc(c1)[C@H](C(=O)[O-])C)C +1802,images/1802.png,molecule,(2S)-2-[4-(2-Methylpropyl)phenyl]propanoate,CC(Cc1ccc(cc1)[C@@H](C(=O)[O-])C)C +1803,images/1803.png,molecule,HCO3, +1806,images/1806.png,molecule,(2S)-2-acetamido-4-methylpentanoate, +1807,images/1807.png,molecule,(2R)-2-acetamido-4-methylpentanoic acid,CC(C[C@H](C(=O)[O-])NC(=O)C)C +1808,images/1808.png,molecule,(S)-α-Methoxyphenylacetate,CO[C@@H](c1ccccc1)C(=O)[O-] +1809,images/1809.png,molecule,(R)-α-Methoxyphenylacetate,CO[C@H](c1ccccc1)C(=O)[O-] +1810,images/1810.png,molecule,acetyl-L-leucinate,CC(C[C@@H](C(=O)[O-])NC(=O)C)C +1812,images/1812.png,molecule,Mesylate, +1813,images/1813.png,molecule,(S)-(+)-Mandelate,O[C@@H](C1=CC=CC=C1)C([O-])=O +1814,images/1814.png,molecule,(R)-(−)-Mandelate,O[C@H](C1=CC=CC=C1)C([O-])=O +1815,images/1815.png,molecule,(2R)-pyrrolidine-2-carboxylate, +1816,images/1816.png,molecule,(2S)-pyrrolidine-2-carboxylate, +1818,images/1818.png,host,c = 700.0 µM, +1819,images/1819.png,host,4-trifluoromethylthiobenzyl-BU, +1822,images/1822.png,host,"3,5-trifluoromethylbenzyl-BU", +1824,images/1824.png,molecule,Triflate|Triflate ion,FC(S(=O)(=O)[O-])(F)F +1825,images/1825.png,molecule,Perrhenate|Perrhenate ion,[O-][Re](=O)(=O)=O +1826,images/1826.png,molecule,Thiocyanate,[S-]C#N +1827,images/1827.png,host,2-hydroxyethylamide-BU, +1829,images/1829.png,molecule,Peroxydisulfate,[O-]S(=O)(=O)OOS(=O)(=O)[O-] +1833,images/1833.png,molecule,"1,1'-Bis(5-carboxypentyl)-4,4'-bipyridinium|​Bis(5-​carboxypenty) Viologen",OC(=O)CCCCC[n+]1ccc(cc1)c1cc[n+](cc1)CCCCCC(=O)O.[Br-].[Br-] +1834,images/1834.png,molecule,"1,1'-Methyl-4,4'-bispyridinium ethylene|ethylene viologen",C[n+]1ccc(cc1)/C=C/c1cc[n+](cc1)C +1840,images/1840.png,molecule,F-|Fluoride anion,[F-] +1841,images/1841.png,molecule,Cyanide, +1844,images/1844.png,host,o-Xylyleneglycoluriltetramer, +1850,images/1850.png,molecule,4-Methylbenzenesulfonate, +1851,images/1851.png,molecule,"3,​5-​bis(phenylmethoxy)​-Benzoate anion", +1856,images/1856.png,molecule,"Pyridinium, 1,​1'-​[(2-​carboxy-​1,​4-​phenylen...|Pyridinium, 1,​1'-​[(2-​carboxy-​1,​4-​phenylene)​bis(methylene)​]​bis-​|Pyridinium, 1,​1'-​[(2-​carboxy-​1,​4-​phenylene)​bis(methylene)​]​bis-​, chloride",OC(=O)c1cc(ccc1C[n+]1ccccc1)C[n+]1ccccc1 +1857,images/1857.png,molecule,"Pyridinium, 1,​1'-​[[2-​(methoxycarbonyl)​-​1,​...|Pyridinium, 1,​1'-​[[2-​(methoxycarbonyl)​-​1,​4-​phenylene]​bis(methylene)​]​bis-",O=C(OC)C1=CC(C[N+]2=CC=CC=C2)=CC=C1C[N+]3=CC=CC=C3 +1861,images/1861.png,molecule,1-ethyl-3-methylimidazol-3-ium;chloride|1-ethyl-3-methylimidazolium chloride|[C2mim]Cl,CCN1C=C[N+](=C1)C.[Cl-] +1863,images/1863.png,molecule,"1-(2-carboxyethyl)-3,5-dimethyl-Pyridinium|Pyridinium, 1-​(2-​carboxyethyl)​-​3,​5-​dimethyl-​",OC(=O)CC[n+]1cc(C)cc(c1)C +1873,images/1873.png,molecule,"1,1'-(3-(methoxycarbonyl)pentane-1,5-diyl)bis(p...|1,1'-(3-(methoxycarbonyl)pentane-1,5-diyl)bis(pyridin-1-ium)|Pyridinium, 1,​1'-​[3-​(methoxycarbonyl)​-​1,​5-​pentanediyl]​bis-",COC(=O)C(CC[n+]1ccccc1)CC[n+]1ccccc1 +1874,images/1874.png,molecule,"1H-​Imidazolium, 3-​butyl-​1-​methyl-​, bromide|[C4Mim]Br",CCCC[N+]1=CN(C)C=C1.[Br-] +1875,images/1875.png,molecule,[C2mim]Br, +1876,images/1876.png,host,Bisglycouril tetraoxypropylsulphite sodium, +1880,images/1880.png,molecule,"1,4-phenylenedimethanol",OCc1ccc(cc1)CO +1881,images/1881.png,molecule,"1,4-diaminobenzene",Nc1ccc(cc1)N +1882,images/1882.png,molecule,"1,3-phenylenedimethanaminium chloride",[NH3+]Cc1cccc(c1)C[NH3+].[Cl-].[Cl-] +1883,images/1883.png,molecule,"1,1'-(3-carboxypentane-1,5-diyl)dipyridinium|1,1'-(3-carboxypentane-1,5-diyl)dipyridinium dichloride",OC(=O)C(CC[n+]1ccccc1)CC[n+]1ccccc1 +1885,images/1885.png,molecule,"N1,N1'-(1,4-phenylenebis(methylene))bis(propane-1,3-diaminium) chloride|N1,N1'-(1,4-phenylenebis(methylene))bis(propane...",[NH3+]CCC[NH2+]Cc1ccc(cc1)C[NH2+]CCC[NH3+].[Cl-].[Cl-].[Cl-].[Cl-] +1887,images/1887.png,molecule,"sodium 3,3'-(1,3,6,8-tetraoxo-1,3,6,8-tetrahydr...|sodium 3,3'-(1,3,6,8-tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl)dipropionate",[Na]OC(=O)CCN1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)CCC(=O)O[Na] +1888,images/1888.png,molecule,"2,7-di(2,5,8,11-tetraoxatridecan-13-yl)benzo[lm...", +1891,images/1891.png,molecule,N-Methylquinolinium iodide, +1892,images/1892.png,molecule,N-Methylacridinium iodide,C[N+]1=C2C=CC=CC2=CC3=CC=CC=C31.[I-] +1893,images/1893.png,molecule,[C2mim][BF4], +1894,images/1894.png,molecule,"Methanaminium, N-[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride (9CI)|crystal violet",C/[N+](C)=C1C=C/C(C=C/1)=C(C2=CC=C(N(C)C)C=C2)\C3=CC=C(N(C)C)C=C3.[Cl-] +1895,images/1895.png,molecule,safranin O, +1896,images/1896.png,molecule,"2-[p-(Dimethylamino)phenyl]-3,6-dimethylbenzothiazolium chloride (7CI)|Thioflavin T",Cc1ccc2c(c1)sc([n+]2C)c1ccc(cc1)N(C)C.[Cl-] +1898,images/1898.png,molecule,"3,​6-​Acridinediamine, conjugate acid|Proflavin protonated",Nc1ccc2c(c1)[nH]c1-c(c2)ccc(=[NH2+])c1 +1899,images/1899.png,molecule,"3,​6-​Acridinediamine, N3,​N3,​N6,​N6-​tetramethyl-​, hydrochloride|acridine orange H+",CN(C)C1=CC(NC(C(C=C/2)=C3)=CC2=[N+](C)/C)=C3C=C1 +1900,images/1900.png,molecule,6-(dimethylamino)acridin-3(10H)-one,O=C1C=C2SC3=CC(N(C)C)=CC=C3N=C2C=C1 +1902,images/1902.png,host,Methylated Propanediurea Clip, +1903,images/1903.png,host,Propanediurea Clip, +1904,images/1904.png,host,Glycoluril dimer clip, +1905,images/1905.png,host,mPheCB[6], +1906,images/1906.png,molecule,"(19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione|Camptothecin",CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O +1907,images/1907.png,molecule,Ziprasidone, +1908,images/1908.png,molecule,PBS-1086,O=C1C=C(NC(=O)c2cc3ccccc3nc2O)[C@@H]([C@H]2[C@@H]1O2)O +1910,images/1910.png,host,Dimetoxinaphtaleneglycoluril, +1911,images/1911.png,host,Dimetoxixylyleneglycoluril dimer, +1912,images/1912.png,host,Dimetoxinaphtaleneglycoluril dimer, +1913,images/1913.png,host,Dimetoxixylyleneglycoluril trimer, +1914,images/1914.png,host,Dimetoxinaphtaleneglycoluril trimer, +1915,images/1915.png,host,Dimetoxixylyleneglycoluril tetramer, +1916,images/1916.png,host,Dimetoxinaphtaleneglycoluril tetramer, +1917,images/1917.png,molecule,Bis Paraquat,C[n+]1ccc(cc1)c1cc[n+](cc1)CCCCC[n+]1ccc(cc1)c1cc[n+](cc1)C +1921,images/1921.png,host,"5-Iodo-N,N'-bis[6-(pentanoylamino)pyrid-2-yl]is...", +1922,images/1922.png,host,"5-Nitro-N,N'-bis[6-(pentanoylamino)pyrid-2-yl]i...", +1923,images/1923.png,host,"4,6-Dibromo-N,N'-bis[6-(pentanoylamino)pyrid-2-...", +1925,images/1925.png,host,"5-Iodo-N,N'-Bis[6-(2-ethylhexanoylamino)pyrid-2...", +1927,images/1927.png,host,"5-Nitro-N,N'-bis[6-(2-ethylhexanoylamino)pyrid-...", +1929,images/1929.png,host,"5-Benzoyloxy-N,N'-bis[6-(2-ethylhexanoyl)aminop...", +1930,images/1930.png,host,"5-Benzoyloxy-N,N'-bis[6-(pentanoylamino)pyrid-2...", +1931,images/1931.png,molecule,"5,5-diethyl-1,3-diazinane-2,4,6-trione|Barbital|Diethylbarbituric acid",CCC1(C(=O)NC(=O)NC1=O)CC +1932,images/1932.png,molecule,(2S)-2-amino-3-(1H-indol-3-yl)propanamide|L-Trp-NH2|L-Tryptophanamide,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)N)N +1933,images/1933.png,molecule,(2S)-2-acetamido-3-(1H-indol-3-yl)propanamide|N-Acetyl-L-Trp-NH2|N-Acetyl-L-tryptophanamide,CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N +1934,images/1934.png,molecule,(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid|L-Trp-L-Pro|L-Tryptophyl-L-proline,C1CC(N(C1)C(=O)C(CC2=CNC3=CC=CC=C32)N)C(=O)O +1935,images/1935.png,molecule,(4S)-4-amino-5-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid|L-Glu-L-Trp|Oglufanide,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C(CCC(=O)O)N +1936,images/1936.png,molecule,"(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-37-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-13,25,28-tribenzyl-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacontane-4-carboxylic acid|Somatostatin|somatostatin",CC(C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)CC(=O)N)CCCCN)NC(=O)CNC(=O)C(C)N)C(=O)O)CO)C(C)O)CC6=CC=CC=C6)O +1937,images/1937.png,molecule,(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoic acid|L-Phe-L-Ala|L-Phenylalanyl-L-alanine,CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N +1938,images/1938.png,molecule,(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoic acid|L-Phe-L-Val|L-phenylalanyl-L-valine,CC(C)C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N +1939,images/1939.png,molecule,L-Ala-L-Phe, +1940,images/1940.png,molecule,(3S)-3-amino-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid|L-Asp-L-Phe|L-Aspartyl-L-phenylalanine,C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC(=O)O)N +1941,images/1941.png,molecule,(3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid|Aspartame,COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N +1942,images/1942.png,molecule,4-Nitro-D-phenylalanine, +1943,images/1943.png,molecule,"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol|Phenyl-β-D-glucopyranoside",C1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O +1944,images/1944.png,molecule,"(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|Penicillin G",CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C +1945,images/1945.png,molecule,"(2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|Ampicillin",CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C +1949,images/1949.png,host,CB7-TEG-BC, +1950,images/1950.png,host,CB7-HEG-BC, +1952,images/1952.png,molecule,Tetramethylammonium chloride|tetramethylazanium;chloride,C[N+](C)(C)C.[Cl-] +1954,images/1954.png,molecule,"(-)-camphor|(1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",CC1(C2CCC1(C(=O)C2)C)C +1957,images/1957.png,molecule,Dihydrogen phosphate|Dihydrogenphosphate|dihydrogen phosphate,OP(=O)(O)[O-] +1965,images/1965.png,molecule,Tetrabutylammonium 4-nitrobenzoate, +1966,images/1966.png,molecule,Tetrabutylammonium dihydrogenphosphate|Tetrabutylammonium dihydrogenphosphate|dihydrogen phosphate;tetrabutylazanium,CCCC[N+](CCCC)(CCCC)CCCC.OP(=O)(O)[O-] +1967,images/1967.png,molecule,"tetrabutylammonium 2,2'-bisphenolcyclophosphate",[O-]P1(=O)Oc2ccccc2-c2c(O1)cccc2.CCCC[N+](CCCC)(CCCC)CCCC +1968,images/1968.png,molecule,tetrabutylammonium 5-oxylato-5h-dibenzophosphol..., +1969,images/1969.png,molecule,Tetrabutylammonium squaric acid,[O-]C1=C([O-])C(=O)C1=O.CCCC[N+](CCCC)(CCCC)CCCC +1970,images/1970.png,molecule,"Tetrabutylammonium 4,6-bis(phenylethynyl)-5-oxy...", +1971,images/1971.png,host,tetraallyl-bicyclic guanidinium iodide, +1972,images/1972.png,host,tetracarboxamide-bicyclic guanidinium iodide, +1981,images/1981.png,host,sCx5-6C, +1983,images/1983.png,host,aCx4-Bz-COOH, +1984,images/1984.png,molecule,"(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione|doxorubicin",CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O +1985,images/1985.png,molecule,Epirubicin, +1986,images/1986.png,molecule,"(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-6-methyl-5-[(2S)-oxan-2-yl]oxyoxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione|pirarubicin",CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)OC6CCCCO6 +1987,images/1987.png,molecule,"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate|paclitaxel",CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C +1988,images/1988.png,molecule,10-Hydroxycamptothecin, +1989,images/1989.png,molecule,"[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylate|irinotecan",CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7 +1990,images/1990.png,molecule,tamoxifen, +1992,images/1992.png,molecule,docetaxel, +1993,images/1993.png,molecule,"5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione|floxuridine",C1C(C(OC1N2C=C(C(=O)NC2=O)F)CO)O +1994,images/1994.png,molecule,daunorubicin, +1995,images/1995.png,molecule,"(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione|4-demethoxydaunorubicin|Idarubicin",CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O +1996,images/1996.png,host,Cx4-NH2, +1997,images/1997.png,molecule,silicon(IV) phthalocyanine, +1998,images/1998.png,molecule,6-((2-((2-amino-2-oxoethyl)amino)-2-oxoethyl)am..., +2003,images/2003.png,molecule,Ac-GKG-NH2,[NH3+]CCCCC(C(=O)NCC(=O)N)NC(=O)CNC(=O)C +2004,images/2004.png,molecule,Ac-GGK-OH, +2005,images/2005.png,host,Guanidinocalix[5]arene pentadodecyl ether, +2008,images/2008.png,molecule,(Z)-octadec-9-enoate|oleate|oleic acid,CCCCCCCCC=CCCCCCCCC(=O)[O-] +2010,images/2010.png,molecule,chlorambucil, +2011,images/2011.png,molecule,"(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid|methotrexate",CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O +2017,images/2017.png,molecule,AzobPy, +2027,images/2027.png,molecule,3-Hydroxy-2-naphthoic acid|3-hydroxynaphthalene-2-carboxylic acid,C1=CC=C2C=C(C(=CC2=C1)C(=O)O)O +2028,images/2028.png,molecule,"1,3-benzodioxole-5-carboxylic acid|piperonylic acid",C1OC2=C(O1)C=C(C=C2)C(=O)O +2029,images/2029.png,host,TEEtOA, +2045,images/2045.png,molecule,PMA, +2046,images/2046.png,host,PMCD-perylene bisimides, +2047,images/2047.png,molecule,"[5,10,15,20-tetrakis- (4-sulfonatophenyl)porphi...", +2049,images/2049.png,molecule,1-pyrenebutyric acid sodium salt,[Na]OC(=O)CCCc1ccc2c3c1ccc1c3c(cc2)ccc1 +2053,images/2053.png,molecule,5FBVI, +2054,images/2054.png,molecule,"3-(2,3,5,6-tetrafluorobenzyl)-1-vinyl-1H-imidazol-3-ium|4FBVI",C=Cn1cc[n+](c1)Cc1c(F)c(F)cc(c1F)F +2060,images/2060.png,molecule,1-methyl-3-((perfluorophenyl)methyl)-1H-imidazol-3-ium|5FBMI,Cn1cc[n+](c1)Cc1c(F)c(F)c(c(c1F)F)F +2061,images/2061.png,molecule,1-((perfluorophenyl)methyl)pyridin-1-ium|5FBPy,Fc1c(C[n+]2ccccc2)c(F)c(c(c1F)F)F +2062,images/2062.png,molecule,"5FBTMA|N,N,N-trimethyl-1-(perfluorophenyl)methanaminium",Fc1c(C[N+](C)(C)C)c(F)c(c(c1F)F)F +2063,images/2063.png,molecule,3-benzyl-1-vinyl-1H-imidazol-3-ium|BVI,C=Cn1cc[n+](c1)Cc1ccccc1 +2067,images/2067.png,molecule,"(6E,9E,16E,19E)-1,5,15(1,4),11(4,1)-tetrapyridi...", +2068,images/2068.png,molecule,Acridine hydrochloride, +2069,images/2069.png,host,PM-β-CD, +2070,images/2070.png,host,"6I-O-(1-naphtholxy)-2I,31-di-O- methylhexakis(2...", +2071,images/2071.png,host,"6I-O-(8-hydroxyquinoline)-2I,31- di-O-methylhex...", +2074,images/2074.png,molecule,"Sodium deoxycholate|deoxycholic acid sodium salt|sodium;(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate",CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.[Na+] +2077,images/2077.png,molecule,Ru(II)[bpy]3, +2078,images/2078.png,host,CB10, +2080,images/2080.png,molecule,4-HAB, +2081,images/2081.png,molecule,4-AAB, +2085,images/2085.png,molecule,DiCh, +2086,images/2086.png,molecule,"1,10-phenanthroline;ruthenium(2+)|Ru(II)[phen]3|Tris(1,10-phenanthroline)ruthenium(2+)",C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Ru+2] +2087,images/2087.png,molecule,Ir(III)[phen]3, +2088,images/2088.png,molecule,Ir(III)[bpy]3, +2089,images/2089.png,molecule,[Ir(I)(ppy)2(bpy)]+, +2090,images/2090.png,molecule,"[4,4′-Dimethyl-2,2′-dipyridyl]bis[2-(2-pyridiny...|[4,4′-Dimethyl-2,2′-dipyridyl]bis[2-(2-pyridinyl-N)phenyl-C]iridium(I)",c1ccc(cc1)c1ccccn1.c1ccc(cc1)c1ccccn1.Cc1ccnc(c1)c1nccc(c1)C.[Ir+] +2091,images/2091.png,molecule,[{Ru(phen)2}2bb5] 4, +2092,images/2092.png,molecule,"[3,4,7,8-tetramethyl-1,10-phenanthroline][1,7-...", +2093,images/2093.png,molecule,3FBVI, +2094,images/2094.png,molecule,"2FBVI|3-(3,5-difluorobenzyl)-1-vinyl-1H-imidazol-3-ium",C=Cn1cc[n+](c1)Cc1cc(F)cc(c1)F +2095,images/2095.png,molecule,[Ir(ppy-CH2NH2Bu)2(bpy)]3+, +2096,images/2096.png,molecule,"bicyclo[2.2.2]octane-1,4-diyldimethanamine",NCC12CCC(CC1)(CC2)CN +2099,images/2099.png,molecule,4-(diethylamino)benzonitrile|4-DEABN,CCN(CC)C1=CC=C(C=C1)C#N +2100,images/2100.png,molecule,N-retinylidine-N-ethanolamine,OCC[n+]1ccc(cc1/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C +2103,images/2103.png,molecule,triclosan, +2104,images/2104.png,host,Hydroxypropyl-β-Cyclodextrin, +2105,images/2105.png,host,HSA, +2106,images/2106.png,molecule,"4-butyl-1,2-diphenylpyrazolidine-3,5-dione|phenylbutazone",CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3 +2107,images/2107.png,molecule,warfarin, +2111,images/2111.png,molecule,SbF6|hexafluoroantimonate|hexafluoroantimony(1-),F[Sb](F)(F)(F)(F)F +2112,images/2112.png,molecule,hydrogensulfate, +2114,images/2114.png,molecule,butylammonium,CCCC[NH3+] +2116,images/2116.png,molecule,1-Pentyl-3-methylmidazolium, +2117,images/2117.png,molecule,spermine,NCCCNCCCCNCCCN +2119,images/2119.png,host,TMGU, +2120,images/2120.png,molecule,1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium|paraquat|paraquat ion,C[n+]1ccc(cc1)c1cc[n+](cc1)C +2121,images/2121.png,molecule,periodate ion, +2123,images/2123.png,host,Me6CB6, +2124,images/2124.png,molecule,"DMAE-NDI dication|N,N'-bis(2-dimethylammonioethyl)-Naphthalene diimide",O=C(N3CC[N+](C)([H])C)C1=C(C(C3=O)=CC=C2C4=O)C2=C(C(N4CC[N+](C)([H])C)=O)C=C1 +2125,images/2125.png,molecule,"DMAE-PDI dication|N,N'-bis(2-dimethylammonioethyl)-perylene diimide",O=C1N(CC[NH+](C)C)C(=O)c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(cc2)C(=O)N(C1=O)CC[NH+](C)C +2127,images/2127.png,molecule,Ac-L-Phe anion|Acetyl L-Phenylalanine anion,[O-]C(=O)[C@H](Cc1ccccc1)NC(=O)C +2128,images/2128.png,molecule,Ac-D-Phe anion|Acetyl D-Phenylalanine anion,[O-]C(=O)[C@@H](Cc1ccccc1)NC(=O)C +2131,images/2131.png,molecule,METHYL ORANGE|sodium;4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate,CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+] +2133,images/2133.png,molecule,"1,4-Diaminobutane dihydrochloride|butane-1,4-diamine;dihydrochloride",C(CCN)CN.Cl.Cl +2134,images/2134.png,molecule,"1,4-Phenylenediamine dihydrochloride|benzene-1,4-diamine;dihydrochloride",C1=CC(=CC=C1N)N.Cl.Cl +2135,images/2135.png,molecule,"4,4'-Bipyridine dihydrochloride",n1ccc(cc1)c1ccncc1.Cl.Cl +2136,images/2136.png,molecule,"cadaverine dihydrochloride|pentane-1,5-diamine dihydrochloride|pentane-1,5-diamine;dihydrochloride",C(CCN)CCN.Cl.Cl +2137,images/2137.png,molecule,(2S)-2-amino-3-phenylpropanoic acid;hydrochloride|(2S)-2-amino-3-phenylpropanoic acidhydrochloride|Phenylalanine hydrochloride,C1=CC=C(C=C1)CC(C(=O)O)N.Cl +2138,images/2138.png,molecule,p-Xylylendiamine 2+, +2139,images/2139.png,molecule,2-naphthyl-polyethylene glycol monomethyl ether polymer|2-naphthyl-polyethylene glycol monomethyl ether...,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)Nc1ccc2c(c1)cccc2 +2141,images/2141.png,host,CB7-OH, +2142,images/2142.png,molecule,biphenyl-polyethylene glycol monomethyl ether p..., +2143,images/2143.png,molecule,dibenzofuran polyethylene glycol monomethyl eth..., +2144,images/2144.png,molecule,p-xylylenediamine dihydrochloride,NCc1ccc(cc1)CN.Cl.Cl +2146,images/2146.png,molecule,"N,N′-dimethyldipyridyliumethylene", +2147,images/2147.png,molecule,CYCLOHEXANECARBOXYLIC ACID, +2148,images/2148.png,molecule,Cyclopentanecarboxylic acid|cyclopentanecarboxylic acid,C1CCC(C1)C(=O)O +2149,images/2149.png,molecule,(2S)-2-acetamidopentanedioic acid|N-Acetyl-L-glutamic acid,CC(=O)NC(CCC(=O)O)C(=O)O +2150,images/2150.png,molecule,"4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol|Bisphenol AF",C1=CC(=CC=C1C(C2=CC=C(C=C2)O)(C(F)(F)F)C(F)(F)F)O +2151,images/2151.png,molecule,"4,4'-Dihydroxybiphenyl", +2152,images/2152.png,molecule,4-Isopropylphenol, +2154,images/2154.png,molecule,Sodium oxalate, +2155,images/2155.png,molecule,Disodium phenyl phosphate, +2156,images/2156.png,molecule,"1-methyl-3-propyl-1,2-dihydroimidazol-1-ium;bromide|[C3mim]Br",CCCN1C[NH+](C=C1)C.[Br-] +2157,images/2157.png,molecule,1-butyl-3-methylimidazol-3-ium chloride|1-butyl-3-methylimidazol-3-ium;chloride|[C4mim]Cl,CCCCN1C=C[N+](=C1)C.[Cl-] +2158,images/2158.png,molecule,1-butyl-3-methylimidazol-3-ium;tetrafluoroborate|[C4mim][BF4],[B-](F)(F)(F)F.CCCCN1C=C[N+](=C1)C +2159,images/2159.png,molecule,1-hexyl-3-methylimidazol-3-ium;chloride|[C6mim]Cl,CCCCCCN1C=C[N+](=C1)C.[Cl-] +2160,images/2160.png,molecule,1-hexyl-3-methylimidazol-3-ium;bromide|[C6mim]Br,CCCCCCN1C=C[N+](=C1)C.[Br-] +2161,images/2161.png,molecule,1-methyl-3-octylimidazol-1-ium;bromide|[C8mim]Br,CCCCCCCCN1C=C[N+](=C1)C.[Br-] +2162,images/2162.png,molecule,1-methyl-3-octylimidazol-1-ium chloride|1-methyl-3-octylimidazol-1-ium;chloride|[C8mim]Cl,CCCCCCCCN1C=C[N+](=C1)C.[Cl-] +2163,images/2163.png,molecule,dicyclomine, +2165,images/2165.png,molecule,(S)-Lysinyl-(S)-threoninyl-(S)-threoninyl-(S)-lysine|KTTK,NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCCN)[C@H](O)C)[C@H](O)C)N +2166,images/2166.png,molecule,(S)-Lysinyl-(S)-threoninyl-(S)-threoninyl-(S)-lysinyl-(S)-serine|KTTKS,NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CCCCN)[C@H](O)C)[C@H](O)C)N +2167,images/2167.png,molecule,(S)-Glycinyl-(S)-argininyl-(S)-glycinyl-(S)-glycine|GRGG,NCC(=O)N[C@H](C(=O)NCC(=O)NCC(=O)O)CCCNC(=N)N +2168,images/2168.png,molecule,Ac-His-OMe|tert-Butyloxycarbonyl-(S)-histidine methyl ester,COC(=O)[C@H](Cc1nc[nH]c1)NC(=O)OC(C)(C)C +2175,images/2175.png,molecule,N-TOSYL-(S)-ARGININE METHYL ESTER HYDROCHLORIDE|Tos-Arg-OMe,COC(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)C)CCCNC(=N)N.Cl +2176,images/2176.png,molecule,propan-1-amine hydrochloride|propan-1-amine;hydrochloride|propylamine hydrochloride,CCCN.Cl +2177,images/2177.png,molecule,Propranolol hydrochloride, +2179,images/2179.png,molecule,2-methylisoquinolin-2-ium|N-Methylisoquinolinium,C[N+]1=CC2=CC=CC=C2C=C1 +2180,images/2180.png,molecule,6-phenylpyridin-3-amine, +2181,images/2181.png,molecule,Dansylcholine, +2183,images/2183.png,molecule,IR780, +2185,images/2185.png,host,Naphthalene-receptor 1, +2186,images/2186.png,molecule,Cadmium ion|cadmium(2+),[Cd+2] +2187,images/2187.png,host,Naphthalene-receptor 2, +2188,images/2188.png,host,Naph-Cu2+ 1, +2189,images/2189.png,molecule,(2R)-2-amino-2-phenylacetic acid|(D)-Phenylglycine,C1=CC=C(C=C1)C(C(=O)O)N +2190,images/2190.png,molecule,(2S)-2-amino-2-phenylacetic acid|L-Phenylglycine,C1=CC=C(C=C1)C(C(=O)O)N +2191,images/2191.png,molecule,D-alanine, +2192,images/2192.png,molecule,(2S)-2-aminobutanedioic acid|L-aspartic acid,C(C(C(=O)O)N)C(=O)O +2193,images/2193.png,molecule,(2R)-2-aminobutanedioic acid|D-Aspartic acid,C(C(C(=O)O)N)C(=O)O +2194,images/2194.png,molecule,(2R)-2-aminopentanedioic acid|D-glutamic acid,C(CC(=O)O)C(C(=O)O)N +2196,images/2196.png,host,Rotaxane, +2197,images/2197.png,host,HPTS, +2204,images/2204.png,molecule,"DX|Phenoxy-1,2-dioxetane",COC1(OOC21[C@@H]1C[C@@H]3C[C@H]2C[C@H](C1)C3)c1cccc(c1)O +2205,images/2205.png,molecule,"4,9-Dihydroxydiamantane|pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-4,9-diol",C1C2C3CC4(CC2C5CC1(CC3C5C4)O)O +2206,images/2206.png,molecule,"Diamantan-4-ol|pentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-4-ol",C1C2CC3C4C1C5CC(C4)(CC3C5C2)O +2207,images/2207.png,molecule,"3,9-Dihydroxytriamantane",O[C@]12C[C@@H]3[C@@H]4[C@H](C1)C1C5(C2)C3[C@@H]2[C@H](C4)[C@@]1(O)C[C@H](C5)C2 +2208,images/2208.png,molecule,4-(2-amino-1-hydroxyethyl)phenol|octopamine,C1=CC(=CC=C1C(CN)O)O +2211,images/2211.png,molecule,dibromomethane,C(Br)Br +2212,images/2212.png,molecule,IODOMETHANE|iodomethane,CI +2213,images/2213.png,molecule,1-BROMOPROPANE|1-bromopropane,CCCBr +2214,images/2214.png,molecule,Chloroform-D|trichloro(deuterio)methane,C(Cl)(Cl)Cl +2215,images/2215.png,molecule,Bromochloromethane|bromo(chloro)methane,C(Cl)Br +2217,images/2217.png,host,bisurea-receptor-NO2, +2218,images/2218.png,molecule,"(C60-Ih)[5,6]fullerene|Buckminsterfullerene",C12=C3C4=C5C6=C1C7=C8C9=C1C%10=C%11C(=C29)C3=C2C3=C4C4=C5C5=C9C6=C7C6=C7C8=C1C1=C8C%10=C%10C%11=C2C2=C3C3=C4C4=C5C5=C%11C%12=C(C6=C95)C7=C1C1=C%12C5=C%11C4=C3C3=C5C(=C81)C%10=C23 +2220,images/2220.png,molecule,TBAnitrate, +2221,images/2221.png,host,bisurea-receptor, +2222,images/2222.png,host,bisurea-receptor-Cl, +2223,images/2223.png,host,bisurea-receptor-F, +2224,images/2224.png,host,bisurea-receptor-OMe, +2225,images/2225.png,host,bisurea-receptor-NMe2, +2226,images/2226.png,host,bisurea-receptor-tBu, +2227,images/2227.png,host,Pyridine-bisurea-receptor, +2228,images/2228.png,host,H+Pyridine-bisurea-receptorTFA, +2251,images/2251.png,molecule,L-serine, +2255,images/2255.png,molecule,L-cysteine, +2322,images/2322.png,molecule,2-phenylacetic acid,C1=CC=C(C=C1)CC(=O)O +2333,images/2333.png,molecule,beta-alanine, +2334,images/2334.png,molecule,"1,3-diaminopropane", +2336,images/2336.png,host,"Bu,NEt2coumarinCHO", +2337,images/2337.png,host,NEt2coumarinCHO, +2338,images/2338.png,molecule,"1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione|Mitoxantrone",C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO +2339,images/2339.png,host,"cyclometalated [N,C,N-Pt(II)] framework", +2340,images/2340.png,molecule,4-ETHYLPHENOL|4-ethylphenol,CCC1=CC=C(C=C1)O +2341,images/2341.png,molecule,3-(4-hydroxyphenyl)-2-oxopropanoic acid|4-Hydroxyphenylpyruvic acid,C1=CC(=CC=C1CC(=O)C(=O)O)O +2342,images/2342.png,molecule,"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate|ceftazidime",CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-] +2343,images/2343.png,molecule,"2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide|chloramphenicol",C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] +2344,images/2344.png,molecule,"2-(2,5-dihydroxyphenyl)acetic acid|Homogentisic acid",C1=CC(=C(C=C1O)CC(=O)O)O +2345,images/2345.png,molecule,naphthalene,C1=CC=C2C=CC=CC2=C1 +2346,images/2346.png,molecule,naproxen, +2347,images/2347.png,molecule,"1-phenylpyrrolidine-2,5-dione|N-Phenylsuccinimide",C1CC(=O)N(C1=O)C2=CC=CC=C2 +2348,images/2348.png,molecule,Prochloraz, +2349,images/2349.png,molecule,"N-(3,4-dichlorophenyl)propanamide|propanil",CCC(=O)NC1=CC(=C(C=C1)Cl)Cl +2350,images/2350.png,molecule,"(1S,6R,13S)-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one|rotenone",CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC +2352,images/2352.png,molecule,sodium benzoate, +2353,images/2353.png,molecule,trans-azobenzene-TEG, +2354,images/2354.png,molecule,(Z)-2-(2-(2-(4-(phenyldiazenyl)phenoxy)ethoxy)ethoxy)ethan-1-ol|cis-azobenzene-TEG,OCCOCCOCCOc1ccc(cc1)/N=N\c1ccccc1 +2355,images/2355.png,molecule,Melatonin, +2356,images/2356.png,host,ExBox.4Cl, +2357,images/2357.png,molecule,PDI-bis(Et-Me2N-EtOH).2Br, +2358,images/2358.png,molecule,PDI-bis(Bu-Me2N-EtOH).2Br, +2359,images/2359.png,molecule,PDI-bis(Hex-Me2N-EtOH).2Br, +2360,images/2360.png,molecule,1-benzyl-3-methylimidazol-3-ium bromide|1-benzyl-3-methylimidazol-3-ium;bromide|1-benzyl-3-methylimidazolium bromide,C[N+]1=CN(C=C1)CC2=CC=CC=C2.[Br-] +2361,images/2361.png,molecule,1-methyl-3-(naphthalen-2-ylmethyl)imidazol-1-ium;bromide|2NpCH2ImidMe,C[N+]1=CN(C=C1)CC2=CC3=CC=CC=C3C=C2.[Br-] +2362,images/2362.png,molecule,"AntNMe3.Cl|N,N,N-trimethylanthracen-2-aminium chloride",C[N+](c1ccc2c(c1)cc1c(c2)cccc1)(C)C.[Cl-] +2363,images/2363.png,molecule,AntNMe2+-2kPEG|AntNMe2+-2kPEG-OMe,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCn1nnc(c1)C[N+](c1ccc2c(c1)cc1c(c2)cccc1)(C)C.[Cl-] +2364,images/2364.png,molecule,[C3mim]Br, +2366,images/2366.png,molecule,[C5mim]Br, +2367,images/2367.png,molecule,1-heptyl-3-methylimidazol-3-ium bromide|1-heptyl-3-methylimidazol-3-ium;bromide|[C7mim]Br,CCCCCCCN1C=C[N+](=C1)C.[Br-] +2368,images/2368.png,molecule,1-dodecyl-3-methylimidazol-3-ium bromide|1-dodecyl-3-methylimidazol-3-ium;bromide|[C12mim]Br,CCCCCCCCCCCCN1C=C[N+](=C1)C.[Br-] +2369,images/2369.png,molecule,He, +2370,images/2370.png,molecule,Ne, +2371,images/2371.png,molecule,Ar|argon,[Ar] +2372,images/2372.png,molecule,Kr, +2374,images/2374.png,molecule,N2, +2375,images/2375.png,molecule,2Np-5kPEGOMe, +2376,images/2376.png,molecule,1-NAPTHYL-NHCOO-5KPEGOME|1Np-5kPEGOMe,COCCOC(=O)Nc1cccc2c1cccc2 +2377,images/2377.png,molecule,2-ANTHRYL-NHCOO-5KPEGOME|2Ant-5kPEGOMe,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)Nc1ccc2c(c1)cc1c(c2)cccc1 +2378,images/2378.png,molecule,1-Pyrenyl-NHCOO-5KPEGOME|1Pyr-5kPEGOMe,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1 +2379,images/2379.png,molecule,2Fl-5kPEGOMe, +2380,images/2380.png,host,Pt2-18C6, +2381,images/2381.png,molecule,Potassium trifluoromethanesulfonate, +2383,images/2383.png,molecule,(+)-fenchone,CC1(C2CCC(C2)(C1=O)C)C +2384,images/2384.png,molecule,bicyclo[2.2.1]heptan-2-one|norcamphor,C1CC2CC1CC2=O +2385,images/2385.png,molecule,"2,2,6-Trimethylcyclohexanone|2,2,6-trimethylcyclohexan-1-one",CC1CCCC(C1=O)(C)C +2386,images/2386.png,molecule,2-Adamantanone|adamantan-2-one,C1C2CC3CC1CC(C2)C3=O +2387,images/2387.png,molecule,5-Chloro-2-adamantanone|5-chloroadamantan-2-one,C1C2CC3CC(C2)(CC1C3=O)Cl +2388,images/2388.png,molecule,5-Bromo-2-adamantanone|5-bromoadamantan-2-one,C1C2CC3CC(C2)(CC1C3=O)Br +2392,images/2392.png,molecule,Berberine,COc1c(OC)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1 +2393,images/2393.png,molecule,Ferrous cation|Iron(2+)|iron(2+),[Fe+2] +2394,images/2394.png,molecule,Ferric ion|iron(3+),[Fe+3] +2395,images/2395.png,molecule,Chromium(III)|chromium(3+),[Cr+3] +2396,images/2396.png,host,"1,1',1''-((2,4,6-triethylbenzene-1,3,5-triyl)tr...", +2397,images/2397.png,host,"2-(3-cyano-5,5-diethyl-4-(prop-1-en-1-yl)furan-...", +2404,images/2404.png,host,"(Z)-2-(3,5-bis(trifluoromethyl)phenyl)but-2-ene...", +2405,images/2405.png,molecule,phenolate BzO-|phenoxide,C1=CC=C(C=C1)[O-] +2406,images/2406.png,host,Furan malononitrile pyrrole, +2407,images/2407.png,host,pyrrole indene dione, +2408,images/2408.png,host,Pyrrole benzonitrile, +2409,images/2409.png,host,Pyrrole fluorene dicarbonitrile, +2410,images/2410.png,host,Pyrrole chromene carbonitrile, +2411,images/2411.png,host,pyrrole acrylonitrile, +2412,images/2412.png,host,Pyrrole trifluoro acrylonitrile, +2414,images/2414.png,molecule,"2,2'-(cyclohexa-2,5-diene-1,4-diylidene)dimalon...|2,2'-(cyclohexa-2,5-diene-1,4-diylidene)dimalononitrile",N#CC(=c1ccc(=C(C#N)C#N)cc1)C#N +2415,images/2415.png,molecule,"4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-d...", +2416,images/2416.png,molecule,Methylpyridinium cation, +2417,images/2417.png,molecule,Methyl carboxy pyridinium cation, +2418,images/2418.png,molecule,3-carboxy-1-methylpyridin-1-ium,C[n+]1cccc(c1)C(=O)O +2419,images/2419.png,molecule,"N,N,N-trimethylbenzenaminium",C[N+](c1ccccc1)(C)C +2420,images/2420.png,molecule,1-methyl-4-phenylpyridin-1-ium|Methyl phenyl pyridinium,C[n+]1ccc(cc1)c1ccccc1 +2421,images/2421.png,molecule,"1,1'-dibutyl-[4,4'-bipyridine]-1,1'-diium|Dibutyl Bipyridinium",CCCC[n+]1ccc(cc1)c1cc[n+](cc1)CCCC +2422,images/2422.png,molecule,"(E)-4,4'-(ethene-1,2-diyl)bis(1-butylpyridin-1-...", +2423,images/2423.png,molecule,"4,4'-(1,4-phenylene)bis(1-hexylpyridin-1-ium)", +2424,images/2424.png,molecule,"4,4'-(ethane-1,2-diyl)bis(1-(tert-butyl)pyridin...", +2425,images/2425.png,molecule,"1,1'-(propane-1,3-diyl)bis(4-(tert-butyl)pyridi...", +2426,images/2426.png,molecule,"1,4-dihexyl-1,4-diazabicyclo[2.2.2]octane-1,4-d...", +2427,images/2427.png,molecule,"(R)-1,1,2,4,4-pentamethylpiperazine-1,4-diium",C[C@@H]1C[N+](C)(C)CC[N+]1(C)C +2428,images/2428.png,molecule,"(S)-1,1,2,4,4-pentamethylpiperazine-1,4-diium",C[C@H]1C[N+](C)(C)CC[N+]1(C)C +2429,images/2429.png,molecule,"(R)-3-hydroxy-1,1-dimethylpyrrolidin-1-ium",O[C@@H]1CC[N+](C1)(C)C +2430,images/2430.png,molecule,"(S)-3-hydroxy-1,1-dimethylpyrrolidin-1-ium", +2431,images/2431.png,molecule,Adamatanyl trymethylmethanaminium, +2432,images/2432.png,molecule,"(3s,5s,7s)-N,N,N-trimethyladamantan-1-aminium", +2433,images/2433.png,molecule,"hexamethyladamantane-1,3-diaminium", +2434,images/2434.png,molecule,1-tetramethylammonium Ferrocene, +2435,images/2435.png,molecule,cobaltocene, +2441,images/2441.png,molecule,"(2-(2-(2-(2-(4-(pyridine-2-yl)-1H-1,2,3-triazole-1-yl)ethoxy)ethoxy)ethoxy)ethan-1-ol)|PtC",OCCOCCOCCOCCN1C=C2[N](=N1)[Pt]([N]1=C2C=CC=C1)(Cl)Cl +2443,images/2443.png,molecule,tetraethylammonium hexafluorophosphate(V),F[P-](F)(F)(F)(F)F.CC[N+](CC)(CC)CC +2444,images/2444.png,molecule,tetramethylammonium hexafluorophosphate(V), +2446,images/2446.png,molecule,"N-benzyl-N,N-dimethyl-1-phenylmethanaminium",C[N+](Cc1ccccc1)(Cc1ccccc1)C +2447,images/2447.png,molecule,Dibenzyldimethylammonium|dibenzyl(dimethyl)azanium,C[N+](C)(CC1=CC=CC=C1)CC2=CC=CC=C2 +2448,images/2448.png,molecule,Tetramethylphosphonium|tetramethylphosphanium cation|tetramethylphosphanium;iodide,C[P+](C)(C)C.[I-] +2449,images/2449.png,molecule,Trimethylsulfonium|trimethylsulfanium,C[S+](C)C +2450,images/2450.png,molecule,1-pentylpyridin-1-ium,CCCCC[n+]1ccccc1 +2451,images/2451.png,molecule,"cyclohepta-2,4,6-trien-1-ylium",c1cccc[cH+]c1 +2453,images/2453.png,molecule,(cobaltocene)+, +2454,images/2454.png,molecule,"N,N-dimethyl-N-(4-methylbenzyl)-1-(p-tolyl)meth...|N,N-dimethyl-N-(4-methylbenzyl)-1-(p-tolyl)methanaminium",Cc1ccc(cc1)C[N+](Cc1ccc(cc1)C)(C)C +2455,images/2455.png,molecule,"N-(4-methoxybenzyl)-1-(4-methoxyphenyl)-N,N-dim...|N-(4-methoxybenzyl)-1-(4-methoxyphenyl)-N,N-dimethylmethanaminium",COc1ccc(cc1)C[N+](Cc1ccc(cc1)OC)(C)C +2456,images/2456.png,molecule,"N,N-dimethyl-N-(4-(methylthio)benzyl)-1-(4-(met...|N,N-dimethyl-N-(4-(methylthio)benzyl)-1-(4-(methylthio)phenyl)methanaminium",CSc1ccc(cc1)C[N+](Cc1ccc(cc1)SC)(C)C +2457,images/2457.png,molecule,N-(4-(tert-butyl)benzyl)-1-(4-(tert-butyl)pheny..., +2458,images/2458.png,molecule,"N-(4-fluorobenzyl)-1-(4-fluorophenyl)-N,N-dimet...|N-(4-fluorobenzyl)-1-(4-fluorophenyl)-N,N-dimethylmethanaminium",Fc1ccc(cc1)C[N+](Cc1ccc(cc1)F)(C)C +2459,images/2459.png,molecule,"N-(4-chlorobenzyl)-1-(4-chlorophenyl)-N,N-dimet...", +2460,images/2460.png,molecule,"N-(4-bromobenzyl)-1-(4-bromophenyl)-N,N-dimethy...|N-(4-bromobenzyl)-1-(4-bromophenyl)-N,N-dimethylmethanaminium",Brc1ccc(cc1)C[N+](Cc1ccc(cc1)Br)(C)C +2461,images/2461.png,molecule,"N-(4-iodobenzyl)-1-(4-iodophenyl)-N,N-dimethylm...|N-(4-iodobenzyl)-1-(4-iodophenyl)-N,N-dimethylmethanaminium",Ic1ccc(cc1)C[N+](Cc1ccc(cc1)I)(C)C +2462,images/2462.png,molecule,"N-(4-cyanobenzyl)-1-(4-cyanophenyl)-N,N-dimethy...|N-(4-cyanobenzyl)-1-(4-cyanophenyl)-N,N-dimethylmethanaminium",N#Cc1ccc(cc1)C[N+](Cc1ccc(cc1)C#N)(C)C +2463,images/2463.png,molecule,"N,N-dimethyl-N-(4-(trifluoromethyl)benzyl)-1-(4-(trifluoromethyl)phenyl)methanaminium|N,N-dimethyl-N-(4-(trifluoromethyl)benzyl)-1-(4...",FC(c1ccc(cc1)C[N+](Cc1ccc(cc1)C(F)(F)F)(C)C)(F)F +2464,images/2464.png,molecule,"N,N-dimethyl-N-(4-nitrobenzyl)-1-(4-nitrophenyl)methanaminium|N,N-dimethyl-N-(4-nitrobenzyl)-1-(4-nitrophenyl...",[O-][N+](=O)c1ccc(cc1)C[N+](Cc1ccc(cc1)[N+](=O)[O-])(C)C +2465,images/2465.png,molecule,Pyrophosphate, +2466,images/2466.png,host,per-Butyl Oxatub[4]arene, +2468,images/2468.png,molecule,Tetraethylammonium|tetraethylazanium,CC[N+](CC)(CC)CC +2472,images/2472.png,molecule,"N,N-dimethyl-N-(2-methylbenzyl)-1-(o-tolyl)meth...|N,N-dimethyl-N-(2-methylbenzyl)-1-(o-tolyl)methanaminium",Cc1ccccc1C[N+](Cc1ccccc1C)(C)C +2473,images/2473.png,molecule,"N,N-dimethyl-N-(3-methylbenzyl)-1-(m-tolyl)meth...|N,N-dimethyl-N-(3-methylbenzyl)-1-(m-tolyl)methanaminium",Cc1cccc(c1)C[N+](Cc1cccc(c1)C)(C)C +2474,images/2474.png,molecule,"N,N-dimethyl-N-(3-(trifluoromethyl)benzyl)-1-(3-(trifluoromethyl)phenyl)methanaminium|N,N-dimethyl-N-(3-(trifluoromethyl)benzyl)-1-(3...",C[N+](Cc1cccc(c1)C(F)(F)F)(Cc1cccc(c1)C(F)(F)F)C +2475,images/2475.png,molecule,"N-(3-methoxybenzyl)-1-(3-methoxyphenyl)-N,N-dim...|N-(3-methoxybenzyl)-1-(3-methoxyphenyl)-N,N-dimethylmethanaminium",COc1cccc(c1)C[N+](Cc1cccc(c1)OC)(C)C +2476,images/2476.png,molecule,"N-(3,5-dimethylbenzyl)-1-(3,5-dimethylphenyl)-N,N-dimethylmethanaminium|N-(3,5-dimethylbenzyl)-1-(3,5-dimethylphenyl)-N...",Cc1cc(cc(c1)C)C[N+](Cc1cc(C)cc(c1)C)(C)C +2477,images/2477.png,molecule,"N,N-dimethyl-1-(naphthalen-1-yl)-N-(naphthalen-...|N,N-dimethyl-1-(naphthalen-1-yl)-N-(naphthalen-1-ylmethyl)methanaminium",C[N+](Cc1cccc2c1cccc2)(Cc1cccc2c1cccc2)C +2478,images/2478.png,molecule,"N,N-dimethyl-1-(naphthalen-2-yl)-N-(naphthalen-...|N,N-dimethyl-1-(naphthalen-2-yl)-N-(naphthalen-2-ylmethyl)methanaminium",C[N+](Cc1ccc2c(c1)cccc2)(Cc1ccc2c(c1)cccc2)C +2479,images/2479.png,molecule,"N,N-dibenzyl-N-methylethanaminium",CC[N+](Cc1ccccc1)(Cc1ccccc1)C +2480,images/2480.png,molecule,Dibenzyldiethylaminium|dibenzyl(diethyl)azanium,CC[N+](CC)(CC1=CC=CC=C1)CC2=CC=CC=C2 +2481,images/2481.png,molecule,"N-(2-iodobenzyl)-1-(2-iodophenyl)-N,N-dimethylm...|N-(2-iodobenzyl)-1-(2-iodophenyl)-N,N-dimethylmethanaminium", +2482,images/2482.png,molecule,"N-(2-bromobenzyl)-1-(2-bromophenyl)-N,N-dimethy...", +2483,images/2483.png,molecule,"N-(2,6-difluorobenzyl)-1-(2,6-difluorophenyl)-N,N-dimethylmethanaminium|N-(2,6-difluorobenzyl)-1-(2,6-difluorophenyl)-N...",Fc1cccc(c1C[N+](Cc1c(F)cccc1F)(C)C)F +2486,images/2486.png,host,syn oxatube, +2487,images/2487.png,molecule,"1,1'-(butane-1,4-diyl)bis(1,4-diazabicyclo[2.2....|1,1'-(butane-1,4-diyl)bis(1,4-diazabicyclo[2.2.2]octan-1-ium)|D4D2+",C(C[N+]12CCN(CC1)CC2)CC[N+]12CCN(CC1)CC2 +2488,images/2488.png,molecule,"1,1'-(pentane-1,5-diyl)bis(1,4-diazabicyclo[2.2...", +2489,images/2489.png,molecule,"1,1'-(hexane-1,6-diyl)bis(1,4-diazabicyclo[2.2....|1,1'-(hexane-1,6-diyl)bis(1,4-diazabicyclo[2.2.2]octan-1-ium)|D6D2+",C(CC[N+]12CCN(CC1)CC2)CCC[N+]12CCN(CC1)CC2 +2490,images/2490.png,molecule,"1,1'-(heptane-1,7-diyl)bis(1,4-diazabicyclo[2.2...|1,1'-(heptane-1,7-diyl)bis(1,4-diazabicyclo[2.2.2]octan-1-ium)|D7D2+",C(CCC[N+]12CCN(CC1)CC2)CCC[N+]12CCN(CC1)CC2 +2491,images/2491.png,molecule,"1,1'-(octane-1,8-diyl)bis(1,4-diazabicyclo[2.2....|1,1'-(octane-1,8-diyl)bis(1,4-diazabicyclo[2.2.2]octan-1-ium)|D8D2+",C(CCC[N+]12CCN(CC1)CC2)CCCC[N+]12CCN(CC1)CC2 +2492,images/2492.png,molecule,"1-pentyl-1,4-diazabicyclo[2.2.2]octan-1-ium", +2493,images/2493.png,molecule,"1,1'-(nonane-1,9-diyl)bis(1,4-diazabicyclo[2.2....", +2494,images/2494.png,molecule,"1,1'-(decane-1,10-diyl)bis(1,4-diazabicyclo[2.2...|1,1'-(decane-1,10-diyl)bis(1,4-diazabicyclo[2.2.2]octan-1-ium)|D10D2+",C(CCCC[N+]12CCN(CC1)CC2)CCCCC[N+]12CCN(CC1)CC2 +2495,images/2495.png,molecule,"1,1'-(undecane-1,11-diyl)bis(1,4-diazabicyclo[2...", +2496,images/2496.png,molecule,"1,1'-(dodecane-1,12-diyl)bis(1,4-diazabicyclo[2...", +2497,images/2497.png,molecule,"1,1'-(tridecane-1,13-diyl)bis(1,4-diazabicyclo[...|1,1'-(tridecane-1,13-diyl)bis(1,4-diazabicyclo[2.2.2]octan-1-ium)|D13D2+",C(CCCCCC[N+]12CCN(CC1)CC2)CCCCCC[N+]12CCN(CC1)CC2 +2498,images/2498.png,molecule,"1,1'-(tetradecane-1,14-diyl)bis(1,4-diazabicycl...|1,1'-(tetradecane-1,14-diyl)bis(1,4-diazabicyclo[2.2.2]octan-1-ium)|D14D2+",C(CCCCCC[N+]12CCN(CC1)CC2)CCCCCCC[N+]12CCN(CC1)CC2 +2500,images/2500.png,molecule,"17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-16-ol;chloride|Berberrubine chloride",COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)O.[Cl-] +2505,images/2505.png,molecule,cyclobutylmethanaminium,[NH3+]CC1CCC1 +2510,images/2510.png,molecule,3-methylbutan-1-aminium, +2514,images/2514.png,molecule,"3,3-dimethylbutan-1-aminium", +2515,images/2515.png,molecule,cyclopropylmethanaminium,[NH3+]CC1CC1 +2516,images/2516.png,molecule,cylopenthylmethanaminium,[NH3+]CC1CCCC1 +2517,images/2517.png,molecule,phenylmethanaminium, +2518,images/2518.png,molecule,p-tolylmethanaminium,[NH3+]Cc1ccc(cc1)C +2519,images/2519.png,molecule,(3-methylphenyl)methylazanium|3-Methylbenzylaminium|m-tolylmethanaminium,CC1=CC(=CC=C1)C[NH3+] +2520,images/2520.png,molecule,o-tolylmethanaminium,[NH3+]Cc1ccccc1C +2521,images/2521.png,molecule,thiophen-2-ylmethanaminium,[NH3+]Cc1cccs1 +2522,images/2522.png,molecule,1-hexylpyridin-1-ium, +2523,images/2523.png,molecule,"1,3-dimethyl-1H-imidazol-3-ium", +2524,images/2524.png,molecule,"(E)-4,4'-(ethene-1,2-diyl)bis(1-methylpyridin-1...", +2525,images/2525.png,molecule,"6,7-dihydrodipyrido[1,2-a:2',1'-c]pyrazine-5,8-...", +2527,images/2527.png,molecule,3-Aminopropan-1-ol, +2528,images/2528.png,molecule,4-Amino-1-butanol, +2529,images/2529.png,molecule,5-Amino-1-pentanol, +2530,images/2530.png,molecule,6-Amino-1-hexanol, +2531,images/2531.png,molecule,3-aminopropanenitrile|3-aminopropionitrile,C(CN)C#N +2532,images/2532.png,host,anti amine naphthotube, +2533,images/2533.png,host,syn amine naphthotube, +2534,images/2534.png,molecule,BO|Berberrubine (deprotonated),COc1ccc2-c(c1=O)cn1c(-c3cc4OCOc4cc3CC1)c2 +2535,images/2535.png,molecule,2-Amino-2-phenylacetic acid|2-amino-2-phenylacetic acid,C1=CC=C(C=C1)C(C(=O)O)N +2536,images/2536.png,molecule,2-phenylpropanedioic acid|Phenylmalonic acid,C1=CC=C(C=C1)C(C(=O)O)C(=O)O +2537,images/2537.png,molecule,BENZOYLFORMIC ACID, +2538,images/2538.png,molecule,2-hydroxy-2-phenylacetic acid|MANDELIC ACID,C1=CC=C(C=C1)C(C(=O)O)O +2539,images/2539.png,molecule,2-acetyloxy-2-phenylacetic acid|O-acetyl mandelic acid,CC(=O)OC(C1=CC=CC=C1)C(=O)O +2542,images/2542.png,molecule,2-acetamido-2-phenylacetic acid, +2543,images/2543.png,molecule,DL-3-Phenyllactic acid, +2544,images/2544.png,molecule,phenylpyruvic acid, +2545,images/2545.png,molecule,acetylphenylalanine,OC(=O)C(Cc1ccccc1)NC(=O)C +2546,images/2546.png,molecule,cyclohex-3-ene-1-carboxylic acid, +2547,images/2547.png,molecule,METHYL PHENYLACETATE|methyl 2-phenylacetate,COC(=O)CC1=CC=CC=C1 +2548,images/2548.png,molecule,"(2R,5S,6S)-3,3-dimethyl-7-oxo-6-(2-phenylacetam...", +2550,images/2550.png,molecule,"(2S,5R,6R)-6-[(2-carboxy-2-phenylacetyl)amino]-...|(2S,5R,6R)-6-[(2-carboxy-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|carbenicillin",CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)C(=O)O)C +2551,images/2551.png,host,WNBP, +2552,images/2552.png,molecule,4-Bromophenyl-methylpyridinium,C[n+]1ccc(cc1)c1ccc(cc1)Br +2553,images/2553.png,molecule,"5,6-dihydropyrazino[1,2,3,4-lmn][1,10]phenanthr...|5,6-dihydropyrazino[1,2,3,4-lmn][1,10]phenanthroline-4,7-diium",c1c[n+]2CC[n+]3c4c2c(c1)ccc4ccc3 +2555,images/2555.png,molecule,4-[2-[4-(dimethylamino)phenyl]ethenyl]-1-[2-(4-...|4-[2-[4-(dimethylamino)phenyl]ethenyl]-1-[2-(4-aminophenoxy)ethyl] pyridinium bromide|cyanine dye LDP,Nc1ccc(cc1)OCC[n+]1ccc(cc1)/C=C/c1ccc(cc1)N(C)C +2558,images/2558.png,molecule,3-binaphthalene bipyridinium dye, +2563,images/2563.png,molecule,"1,2,3-benzotriazole", +2564,images/2564.png,molecule,"1,4-Dimethoxybenzene|1,4-dimethoxybenzene",COC1=CC=C(C=C1)OC +2565,images/2565.png,host,OMeQ[6], +2566,images/2566.png,molecule,"2,2'-dipyridine.HCl", +2597,images/2597.png,molecule,"N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine|cyclobenzaprine",CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31 +2598,images/2598.png,molecule,amitriptyline,