Compounds

Compounds are SupraBank's interpretation of everything that can moleculary interact. This can be a small molecule with another molecule or a protein or even a material. SupraBank offers several classes of compounds such as molecules, proteins, nanomaterials etc. pp. We try to provide more and more types of compounds for a versatile experience.

Interactions are parts of an interaction (experiment) as the central parts described by the parameters (binding constant) and conditions (solvent, T , pH ...)

Info Name Structure M / g/mol Interactions Identifier Updated
| 1,8-ANS 1,8-ANS 1 8 ans 299.34 10 PubChem | InChI | Smiles "2020100520041601928287" 05 Oct 2020
| Methylammonium chloride Methylammonium chloride Methylammonium chloride 67.52 3 PubChem | InChI | Smiles "2020102515401603640449" 25 Oct 2020
| Progesterone Progesterone Progesterone 314.47 3 PubChem | InChI | Smiles "2020102521351603661707" 25 Oct 2020
| 6-(3-(((pyridin-2-yl-l3-oxidaneyl)sulfonyl)methyl)ureido)hexyl 3,4,5-tris(dodecyloxy)benzoate 6-(3-(((pyridin-2-yl-l3-oxidaneyl)sulfonyl)methyl)ureido)hexyl 3,4,5-tris(dodecyloxy)benzoate 6 %283 %28%28%28pyridin 2 yl l3 oxidaneyl%29sulfonyl%29methyl%29ureido%29hexyl 3 4 5 tris%28dodecyloxy%29benzoate 990.48 2 PubChem | InChI | Smiles "2020103119341604172860" 31 Oct 2020
| Hydroxypropyl-β-Cyclodextrin Hydroxypropyl-β-Cyclodextrin Hbcd 2353.00 1 PubChem | InChI | Smiles "2021032313221616505745" 23 Mar 2021
| (10-((3,4,5-tris(dodecyloxy)benzoyl)oxy)decyl)phosphonic acid (10-((3,4,5-tris(dodecyloxy)benzoyl)oxy)decyl)phosphonic acid %2810 %28%283 4 5 tris%28dodecyloxy%29benzoyl%29oxy%29decyl%29phosphonic acid 895.34 2 PubChem | InChI | Smiles "2020103119301604172603" 31 Oct 2020
| Benzothiazole-polyethylene-glycol-polymer Benzothiazole-polyethylene-glycol-polymer Benzothiazole polyethylene glycol polymer 2236.69 2 PubChem | InChI | Smiles "2020102721261603833963" 27 Oct 2020
| Rhodamine B benzyl ester Rhodamine B benzyl ester Rhbbe 533.69 1 PubChem | InChI | Smiles "2020102921061604005588" 29 Oct 2020
| Cy5 Cy5 Cy5 625.82 1 PubChem | InChI | Smiles "2020110209431604310215" 02 Nov 2020
| 10-Carboxydecyl 3,4,5-tris-dodecyloxybenzoate 10-Carboxydecyl 3,4,5-tris-dodecyloxybenzoate 10 carboxydecyl 3 4 5 tris dodecyloxybenzoate 859.37 2 PubChem | InChI | Smiles "2020103119321604172761" 31 Oct 2020
| 4-Cyanobenzoic acid 4-Cyanobenzoic acid Untitled 147.13 4 PubChem | InChI | Smiles "2021101215131634051603" 12 Oct 2021
| hethyl 5-(6-ethyl-4-Hydroxy-7-methoxy-2-oxo-2H-chromen-3-yl)furan-2-carboxylate hethyl 5-(6-ethyl-4-Hydroxy-7-methoxy-2-oxo-2H-chromen-3-yl)furan-2-carboxylate Untitled 358.35 1 PubChem | InChI | Smiles "2021100116211633105273" 01 Oct 2021
| 1,1'-Bis(trimethylammoniomethyl)ferrocene iodide 1,1'-Bis(trimethylammoniomethyl)ferrocene iodide 1 1' bis%28trimethylammoniomethyl%29ferrocene iodide 584.12 2 PubChem | InChI | Smiles "2020102816271603902440" 28 Oct 2020
| 1-(2-carboxyethyl)-3,5-dimethyl-Pyridinium 1-(2-carboxyethyl)-3,5-dimethyl-Pyridinium 1 %282 carboxyethyl%29 3 5 dimethyl pyridinium 180.22 3 PubChem | InChI | Smiles "2020101612281602851298" 16 Oct 2020
| Agmatine Agmatine Untitled 130.19 6 PubChem | InChI | Smiles "2021093013501633009859" 30 Sep 2021
| 2,6-Dichloropyridine 2,6-Dichloropyridine Untitled 147.99 2 PubChem | InChI | Smiles "2021101215171634051872" 12 Oct 2021
| Pyrrole Pyrrole Untitled 67.09 4 PubChem | InChI | Smiles "2021093013521633009952" 30 Sep 2021
| Estradiol Estradiol Estradiol 272.39 8 PubChem | InChI | Smiles "2020101119191602443944" 11 Oct 2020
| 4-Chlorobenzoic acid 4-Chlorobenzoic acid Untitled 156.56 3 PubChem | InChI | Smiles "2021101215201634052040" 12 Oct 2021
| Cyclopentylacetic acid Cyclopentylacetic acid Untitled 128.17 2 PubChem | InChI | Smiles "2021101215211634052062" 12 Oct 2021
| Cycloheptane Cycloheptane Untitled 98.19 1 PubChem | InChI | Smiles "2021101215211634052088" 12 Oct 2021
| Cycloheptanecarboxylic acid Cycloheptanecarboxylic acid Untitled 142.20 1 PubChem | InChI | Smiles "2021101215221634052121" 12 Oct 2021
| L-Leu-L-Ala L-Leu-L-Ala L leu l ala 202.25 2 PubChem | InChI | Smiles "2020102521421603662150" 25 Oct 2020
| 2FBVI 2FBVI 3 %283 5 difluorobenzyl%29 1 vinyl 1h imidazol 3 ium 221.23 1 PubChem | InChI | Smiles "2021042212441619095470" 22 Apr 2021
| DMF DMF Untitled 73.09 6 PubChem | InChI | Smiles "2021093013531633009990" 30 Sep 2021
| 1,1'-bis(4-bromophenyl)-[4,4'-bipyridine]-1,1'-diium 1,1'-bis(4-bromophenyl)-[4,4'-bipyridine]-1,1'-diium 1 1' bis%284 bromophenyl%29 4 4' bipyridine 1 1' diium 468.19 1 PubChem | InChI | Smiles "2020110916131604938394" 09 Nov 2020
| (2R)-2-acetamido-4-methylpentanoic acid (2R)-2-acetamido-4-methylpentanoic acid %282r%29 2 acetamido 4 methylpentanoic acid 172.20 4 PubChem | InChI | Smiles "2020102211151603365329" 22 Oct 2020
| Estriol Estriol Estriol 288.39 1 PubChem | InChI | Smiles "2021092314571632409078" 23 Sep 2021
| 1,1'-bis(4-cyanophenyl)-[4,4'-bipyridine]-1,1'-diium 1,1'-bis(4-cyanophenyl)-[4,4'-bipyridine]-1,1'-diium 1 1' bis%284 cyanophenyl%29 4 4' bipyridine 1 1' diium 360.42 1 PubChem | InChI | Smiles "2020110916031604937832" 09 Nov 2020
| 1,1'-bis(4-chlorophenyl)-[4,4'-bipyridine]-1,1'-diium 1,1'-bis(4-chlorophenyl)-[4,4'-bipyridine]-1,1'-diium 1 1' bis%284 chlorophenyl%29 4 4' bipyridine 1 1' diium 379.28 1 PubChem | InChI | Smiles "2020110916081604938131" 09 Nov 2020
| Stearyltrimethylammonium Bromide Stearyltrimethylammonium Bromide Untitled 392.50 2 PubChem | InChI | Smiles "2021093013541633010048" 30 Sep 2021
| Bicyclo[2.2.2]octane-1,4-diyldimethanol Bicyclo[2.2.2]octane-1,4-diyldimethanol Untitled 170.25 1 PubChem | InChI | Smiles "2021093014121633011128" 30 Sep 2021
| 2-Aminoanthracene 2-Aminoanthracene Untitled 193.25 1 PubChem | InChI | Smiles "2021093014131633011190" 30 Sep 2021
| MDAP MDAP Mdap squared 234.30 44 PubChem | InChI | Smiles "2020092209381600767528" 22 Sep 2020
| Quinine Quinine Quinine 324.42 12 PubChem | InChI | Smiles "2020100318071601748457" 03 Oct 2020
| ExBox.4PF6 ExBox.4PF6 Exbox 1252.73 11 PubChem | InChI | Smiles "2020100518571601924247" 05 Oct 2020
| 5-HTP 5-HTP Untitled 220.23 1 PubChem | InChI | Smiles "2021092816181632845910" 28 Sep 2021
| 4-DMABN 4-DMABN 4 %28dimethylamino%29benzonitrile 146.19 6 PubChem | InChI | Smiles "2021092209561632304570" 22 Sep 2021
| 11-aminoundecanoic acid 11-aminoundecanoic acid Untitled 201.31 2 PubChem | InChI | Smiles "2021093014141633011296" 30 Sep 2021
| Melphalan Melphalan Untitled 305.20 1 PubChem | InChI | Smiles "2021093014151633011335" 30 Sep 2021
| (E)-4-(4-(1,4-dioxa-7,13-dithia-10-azacyclopentadecan-10-yl)styryl)-1-methylpyridin-1-ium (E)-4-(4-(1,4-dioxa-7,13-dithia-10-azacyclopentadecan-10-yl)styryl)-1-methylpyridin-1-ium %28e%29 4 %284 %281 4 dioxa 7 13 dithia 10 azacyclopentadecan 10 yl%29styryl%29 1 methylpyridin 1 ium 445.66 1 PubChem | InChI | Smiles "2020110410141604484843" 04 Nov 2020
| Tryptamine Tryptamine Tryptamine 160.22 7 PubChem | InChI | Smiles "2020101209411602495700" 12 Oct 2020
| Phe-Arg-His-Asp-Ser-Gly-Tyr-Glu-Val-His-His-Gln-Lys Phe-Arg-His-Asp-Ser-Gly-Tyr-Glu-Val-His-His-Gln-Lys X 16 1639.73 2 PubChem | InChI | Smiles "2021051202331620786792" 12 May 2021
| Decanoic acid Decanoic acid Untitled 172.26 1 PubChem | InChI | Smiles "2021101215221634052144" 12 Oct 2021
| 2,7-Dimethyldiazaphenanthrenium 2,7-Dimethyldiazaphenanthrenium Mdpt 210.11 5 PubChem | InChI | Smiles "2020101614391602859178" 16 Oct 2020
| Gly-Gly-Trp Gly-Gly-Trp Gly gly trp 318.33 3 PubChem | InChI | Smiles "2020102521361603661800" 25 Oct 2020
| 1,1'-bis(4-(ethoxycarbonyl)phenyl)-[4,4'-bipyridine]-1,1'-diium 1,1'-bis(4-(ethoxycarbonyl)phenyl)-[4,4'-bipyridine]-1,1'-diium 1 1' bis%284 %28ethoxycarbonyl%29phenyl%29 4 4' bipyridine 1 1' diium 454.52 1 PubChem | InChI | Smiles "2020111010421605004955" 10 Nov 2020
| N1,N1'-(bicyclo[2.2.2]octane-1,4-diylbis(methylene))bis(N3,N3-dimethylpropane-1,3-diamine) N1,N1'-(bicyclo[2.2.2]octane-1,4-diylbis(methylene))bis(N3,N3-dimethylpropane-1,3-diamine) Untitled 338.58 1 PubChem | InChI | Smiles "2021093014161633011413" 30 Sep 2021
| bromhexine bromhexine Untitled 376.13 3 PubChem | InChI | Smiles "2021093014451633013150" 30 Sep 2021
| glycylglycyl-L-tryptophylglycylglycine glycylglycyl-L-tryptophylglycylglycine Glycylglycyl l tryptophylglycylglycine 432.44 1 PubChem | InChI | Smiles "2020110320561604436978" 03 Nov 2020
| piperonylic acid piperonylic acid Piperonylate cdx 166.13 2 PubChem | InChI | Smiles "2020123119141609442075" 31 Dec 2020
| γ-CD γ-CD Gamma cd 1297.13 27 PubChem | InChI | Smiles "2020092209391600767598" 22 Sep 2020
| Acridine Acridine Acridine 179.22 2 PubChem | InChI | Smiles "2021092207271632295664" 22 Sep 2021
| 2,7-di(2,5,8,11-tetraoxatridecan-13-yl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone 2,7-di(2,5,8,11-tetraoxatridecan-13-yl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone 2 7 di%282 5 8 11 tetraoxatridecan 13 yl%29benzo lmn 3 8 phenanthroline 1 3 6 8%282h 7h%29 tetraone 646.68 1 PubChem | InChI | Smiles "2021092207331632295990" 22 Sep 2021
| 1-Adamantanol 1-Adamantanol Untitled 152.23 4 PubChem | InChI | Smiles "2021093014461633013212" 30 Sep 2021
| Eucalyptol Eucalyptol Eucalyptol 154.25 3 PubChem | InChI | Smiles "2020102618331603737186" 26 Oct 2020
| 1,1'-bis(4-aminophenyl)-[4,4'-bipyridine]-1,1'-diium 1,1'-bis(4-aminophenyl)-[4,4'-bipyridine]-1,1'-diium 1 1' bis%284 aminophenyl%29 4 4' bipyridine 1 1' diium 340.43 1 PubChem | InChI | Smiles "2020111010551605005714" 10 Nov 2020
| Disodium phenyl phosphate Disodium phenyl phosphate Untitled 218.05 1 PubChem | InChI | Smiles "2021102613051635253548" 26 Oct 2021
| N-Acetyl-L-Phenylalanine N-Acetyl-L-Phenylalanine Untitled 207.23 1 PubChem | InChI | Smiles "2021100716441633625053" 07 Oct 2021
| 2-nitrobenzylmethylethercholine 2-nitrobenzylmethylethercholine Untitled 253.32 3 PubChem | InChI | Smiles "2020102618371603737468" 26 Oct 2020
| 2,7-bis(2-(trimethyl-azaneyl)ethyl)pyrene-1,3,6,8(2H,7H)-tetraone 2,7-bis(2-(trimethyl-azaneyl)ethyl)pyrene-1,3,6,8(2H,7H)-tetraone 2 7 bis%282 %28trimethyl azaneyl%29ethyl%29pyrene 1 3 6 8%282h 7h%29 tetraone 436.55 3 PubChem | InChI | Smiles "2020102618481603738083" 26 Oct 2020
| 3-Hydroxy-2-naphthoic acid 3-Hydroxy-2-naphthoic acid 3oh2nap cdx 188.18 2 PubChem | InChI | Smiles "2020123119121609441947" 31 Dec 2020
| NO3- NO3- Nitrate ion 62.00 17 PubChem | InChI | Smiles "2021092207411632296465" 22 Sep 2021
| 4-Bromobenzoic acid 4-Bromobenzoic acid Untitled 201.02 1 PubChem | InChI | Smiles "2021101215221634052171" 12 Oct 2021
| Boc-D-Ser Boc-D-Ser Untitled 205.21 1 PubChem | InChI | Smiles "2021093014471633013250" 30 Sep 2021
| 4-Methylpentanoic acid 4-Methylpentanoic acid Untitled 116.16 2 PubChem | InChI | Smiles "2021101215231634052235" 12 Oct 2021
| N-Acetyl-L-tyrosine N-Acetyl-L-tyrosine Untitled 223.23 1 PubChem | InChI | Smiles "2021100716411633624909" 07 Oct 2021
| Trifluoromethanesulfonate Trifluoromethanesulfonate Trifluoromethanesulfonate 149.07 3 PubChem | InChI | Smiles "2021092208381632299930" 22 Sep 2021
| (R)-(-)-1-Cyclohexylethylamine (R)-(-)-1-Cyclohexylethylamine Untitled 127.23 1 PubChem | InChI | Smiles "2021093014481633013281" 30 Sep 2021
| 1-[5-(ethylcarbamoyl)-1H-pyrrole-2-ylcarbonyl]guanidinium 1-[5-(ethylcarbamoyl)-1H-pyrrole-2-ylcarbonyl]guanidinium Untitled 224.24 1 PubChem | InChI | Smiles "2021102613061635253579" 26 Oct 2021
| Acyclic di-(sodium(3-((4-(2-azidoethoxy)naphthalen-1-yl)oxy)propane-1-sulfonate)-functionalizedCucurbiturils Acyclic di-(sodium(3-((4-(2-azidoethoxy)naphthalen-1-yl)oxy)propane-1-sulfonate)-functionalizedCucurbiturils Acyclic cucurbiturils 10a 1491.41 1 PubChem | InChI | Smiles "2020081213331597239235" 12 Aug 2020
| Amantadine Amantadine 1 adamantanamine 151.25 13 PubChem | InChI | Smiles "2021092208511632300671" 22 Sep 2021
| Prodan Prodan Untitled 227.31 1 PubChem | InChI | Smiles "2021093014591633013967" 30 Sep 2021
| 2,3-Diazabicyclo(2.2.2)oct-2-ene 2,3-Diazabicyclo(2.2.2)oct-2-ene Untitled 110.16 60 PubChem | InChI | Smiles "2021092816081632845331" 28 Sep 2021
| Indole Indole Indole 117.15 7 PubChem | InChI | Smiles "2021092210011632304868" 22 Sep 2021
| 2,6-Dihydroxynaphthalene 2,6-Dihydroxynaphthalene 2 6 dihydroxynaphthalene 160.17 20 PubChem | InChI | Smiles "2021092210011632304918" 22 Sep 2021
| CESIUM BROMIDE CESIUM BROMIDE Untitled 212.81 1 PubChem | InChI | Smiles "2021101215251634052303" 12 Oct 2021
| 1-[5-(Butylcarbamoyl)-1H-pyrrole-2-ylcarbonyl]guanidinium 1-[5-(Butylcarbamoyl)-1H-pyrrole-2-ylcarbonyl]guanidinium Untitled 252.29 1 PubChem | InChI | Smiles "2021102613081635253726" 26 Oct 2021
| octan-2-aminium octan-2-aminium Octan 2 aminium 130.25 1 PubChem | InChI | Smiles "2020110420551604523300" 04 Nov 2020
| nandrolone-17-propionate nandrolone-17-propionate Nandrolone 17 propionate 330.47 1 PubChem | InChI | Smiles "2021092210081632305280" 22 Sep 2021
| Hydrocinnamic acid Hydrocinnamic acid Untitled 150.18 1 PubChem | InChI | Smiles "2021093015001633014028" 30 Sep 2021
| Ethinyl-estradiol Ethinyl-estradiol Untitled 296.41 1 PubChem | InChI | Smiles "2021102613111635253914" 26 Oct 2021
| Pyrocatechol Pyrocatechol 1 2 dihydroxybenzene 110.11 15 PubChem | InChI | Smiles "2021092210141632305666" 22 Sep 2021
| (R)-Hexahydromandelic acid (R)-Hexahydromandelic acid Untitled 158.20 1 PubChem | InChI | Smiles "2021093015011633014099" 30 Sep 2021
| N-Boc-l-Alanine N-Boc-l-Alanine Untitled 189.21 1 PubChem | InChI | Smiles "2021093015021633014161" 30 Sep 2021
| zoledronate zoledronate Untitled 268.06 1 PubChem | InChI | Smiles "2021102613441635255875" 26 Oct 2021
| Tetradecyltrimethylammonium bromide Tetradecyltrimethylammonium bromide Tetradecyltrimethylammonium bromide 336.40 3 PubChem | InChI | Smiles "2021092210251632306328" 22 Sep 2021
| Diethylether Diethylether Diethyl ether 74.12 6 PubChem | InChI | Smiles "2021092210261632306382" 22 Sep 2021
| 1-Acetamidonaphthalene 1-Acetamidonaphthalene Untitled 185.22 1 PubChem | InChI | Smiles "2021093015031633014233" 30 Sep 2021
| N-(4-(cyclohepta-2,4,6-trien-1-ylidene)cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium N-(4-(cyclohepta-2,4,6-trien-1-ylidene)cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium Untitled 210.30 1 PubChem | InChI | Smiles "2021102613481635256095" 26 Oct 2021
| syn-Thiourea Naphthotube syn-Thiourea Naphthotube Untitled 1137.45 8 PubChem | InChI | Smiles "2020081411461597405597" 14 Aug 2020
| 2,7-Dihydroxynaphthalene 2,7-Dihydroxynaphthalene 2 7 dihydroxynaphthalene 160.17 2 PubChem | InChI | Smiles "2021092210401632307208" 22 Sep 2021
| Isopropanol Isopropanol Untitled 60.10 3 PubChem | InChI | Smiles "2021093015041633014267" 30 Sep 2021
| (R)-(-)-3-Bromo-2-methyl-1-propanol (R)-(-)-3-Bromo-2-methyl-1-propanol Untitled 153.02 1 PubChem | InChI | Smiles "2021093015061633014398" 30 Sep 2021
| 6-chloro-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole 6-chloro-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole 6 chloro 1 2 3 6 7 7a hexahydro 3a 6 epoxyisoindole 171.62 1 PubChem | InChI | Smiles "2020110422141604528055" 04 Nov 2020
| Osthole Osthole Untitled 244.29 1 PubChem | InChI | Smiles "2021092915221632928961" 29 Sep 2021
| 5-Methoxyindole 5-Methoxyindole 5 methoxyindole 147.18 1 PubChem | InChI | Smiles "2021092315021632409341" 23 Sep 2021
| 3-Methoxyphenol 3-Methoxyphenol 3 methoxyphenol 124.14 1 PubChem | InChI | Smiles "2021092315031632409383" 23 Sep 2021
| (S)-(+)-2-Phenylpropionic acid (S)-(+)-2-Phenylpropionic acid Untitled 150.18 1 PubChem | InChI | Smiles "2021093015271633015673" 30 Sep 2021
| Rubidium chloride Rubidium chloride Rubidium chloride 120.92 5 PubChem | InChI | Smiles "2021092315051632409503" 23 Sep 2021
| Tetrathiafulvalene Tetrathiafulvalene Untitled 204.40 1 PubChem | InChI | Smiles "2021102613491635256164" 26 Oct 2021
| Cholesterol Cholesterol Cholesterol 386.66 2 PubChem | InChI | Smiles "2020102717311603819909" 27 Oct 2020
| TEM-PE-MB TEM-PE-MB Tem mb 1737.93 9 PubChem | InChI | Smiles "2020081622451597617929" 16 Aug 2020
| N,N'-[p-phenylenebis(oxy-p-phenylenemethylene)]bis(benzenemethaneaminium) N,N'-[p-phenylenebis(oxy-p-phenylenemethylene)]bis(benzenemethaneaminium) N n' p phenylenebis%28oxy p phenylenemethylene%29 bis%28benzenemethaneaminium%29 502.60 3 PubChem | InChI | Smiles "2020102621101603746655" 26 Oct 2020
| Pyridine Pyridine Pyridine 79.10 8 PubChem | InChI | Smiles "2021092813491632836991" 28 Sep 2021
| bis(dimethylpyridinium)diarylethene (open form) bis(dimethylpyridinium)diarylethene (open form) Bis%28dimethylpyridinium%29diarylethene %28open form%29 444.65 4 PubChem | InChI | Smiles "2020102316331603470812" 23 Oct 2020
| PMA PMA Pma 232.30 1 PubChem | InChI | Smiles "2021010404061609733201" 04 Jan 2021
| Prednisolone Prednisolone Prednisolone 360.45 3 PubChem | InChI | Smiles "2020102717351603820104" 27 Oct 2020
| (R)-Binaphthalene-diol (R)-Binaphthalene-diol %28r%29 binaphthalene diol 286.33 6 PubChem | InChI | Smiles "2020101212441602506689" 12 Oct 2020
| Dimethyl carbonate Dimethyl carbonate Dmc 90.08 2 PubChem | InChI | Smiles "2020102720111603829491" 27 Oct 2020
| 2,6-Pyridinedicarboxylic acid 2,6-Pyridinedicarboxylic acid 2 6 pyridinedicarboxylic acid 167.12 2 PubChem | InChI | Smiles "2021092813541632837262" 28 Sep 2021
| Lithium tetrafluoroborate Lithium tetrafluoroborate Untitled 93.80 1 PubChem | InChI | Smiles "2021101215441634053486" 12 Oct 2021
| Oxetane Oxetane Oxetane 58.08 4 PubChem | InChI | Smiles "2021092813551632837300" 28 Sep 2021
| AO HCl AO HCl Ao hcl 265.36 13 PubChem | InChI | Smiles "2020092213101600780201" 22 Sep 2020
| Ethene Ethene Ethen 28.05 2 PubChem | InChI | Smiles "2020102717351603820159" 27 Oct 2020
| N-Acetyl-D-phenylalanine N-Acetyl-D-phenylalanine Untitled 207.23 1 PubChem | InChI | Smiles "2021093015281633015707" 30 Sep 2021
| Bromocyclohexane Bromocyclohexane Untitled 163.06 5 PubChem | InChI | Smiles "2021092813551632837343" 28 Sep 2021
| N-acetyl-D-tyrosine N-acetyl-D-tyrosine Untitled 223.23 1 PubChem | InChI | Smiles "2021093015291633015747" 30 Sep 2021
| Cesium nitrate Cesium nitrate Untitled 194.91 1 PubChem | InChI | Smiles "2021101216221634055748" 12 Oct 2021
| Sodium fluoborate Sodium fluoborate Untitled 109.80 3 PubChem | InChI | Smiles "2021101215451634053507" 12 Oct 2021
| Rubidium nitrate Rubidium nitrate Untitled 147.47 1 PubChem | InChI | Smiles "2021101216221634055771" 12 Oct 2021
| Codeine Codeine Codeine 299.40 1 PubChem | InChI | Smiles "2021092814001632837654" 28 Sep 2021
| Ammonium nitrate Ammonium nitrate Untitled 80.04 1 PubChem | InChI | Smiles "2021101216241634055841" 12 Oct 2021
| 1,6-Hexandiammonium 1,6-Hexandiammonium 6 azaniumylhexylazanium 118.22 4 PubChem | InChI | Smiles "2021092814011632837713" 28 Sep 2021
| (S)-(+)-Benzyl glycidyl ether (S)-(+)-Benzyl glycidyl ether Untitled 164.20 1 PubChem | InChI | Smiles "2021093015291633015781" 30 Sep 2021
| Acid Red 52 Acid Red 52 Untitled 580.65 1 PubChem | InChI | Smiles "2021093013291633008572" 30 Sep 2021
| Tetrahydropyran Tetrahydropyran Thp 86.13 3 PubChem | InChI | Smiles "2021092814081632838106" 28 Sep 2021
| Azulene Azulene Azulene 128.17 1 PubChem | InChI | Smiles "2021092814331632839621" 28 Sep 2021
| sCx4-NHTs sCx4-NHTs Scx4 nhts 830.00 3 PubChem | InChI | Smiles "2020100114391601563183" 01 Oct 2020
| Diquat Diquat Diquat 184.24 9 PubChem | InChI | Smiles "2021092814341632839698" 28 Sep 2021
| (2R,3R)-(-)-2-Benzyloxy-1,3,4-butanetriol (2R,3R)-(-)-2-Benzyloxy-1,3,4-butanetriol Untitled 212.24 1 PubChem | InChI | Smiles "2021093015301633015819" 30 Sep 2021
| Boc-D-alanine methyl ester Boc-D-alanine methyl ester Untitled 203.24 1 PubChem | InChI | Smiles "2021093015311633015888" 30 Sep 2021
| Erythrosin B Erythrosin B A 879.86 1 PubChem | InChI | Smiles "2020110915401604936408" 09 Nov 2020
| sCx4-PhOMe sCx4-PhOMe Scx4 phome 767.80 3 PubChem | InChI | Smiles "2020100114511601563874" 01 Oct 2020
| N-ethylacetamide N-ethylacetamide N ethylacetamide 87.12 3 PubChem | InChI | Smiles "2021092814591632841149" 28 Sep 2021
| 4-Nitro-D-phenylalanine 4-Nitro-D-phenylalanine 4 nitro d phenylalanine 210.19 1 PubChem | InChI | Smiles "2021092815081632841732" 28 Sep 2021
| Homopiperazine Homopiperazine 1 4 diazepane 100.16 4 PubChem | InChI | Smiles "2021092815001632841201" 28 Sep 2021
| Spermine (fully protonated form) Spermine (fully protonated form) Spermine %28fully protonated form%29 206.37 10 PubChem | InChI | Smiles "2021092815011632841292" 28 Sep 2021
| N-Acetyl-L-Trp N-Acetyl-L-Trp N acetyl l tryptophan 246.27 5 PubChem | InChI | Smiles "2021092815151632842146" 28 Sep 2021
| D/L-Lys D/L-Lys Lysine 146.19 15 PubChem | InChI | Smiles "2021092815531632844388" 28 Sep 2021
| N-Boc-L-serine N-Boc-L-serine Untitled 205.21 1 PubChem | InChI | Smiles "2021093015321633015927" 30 Sep 2021
| (R)-3-Bromo-8-camphorsulfonic acid (R)-3-Bromo-8-camphorsulfonic acid Untitled 311.19 1 PubChem | InChI | Smiles "2021093015361633016203" 30 Sep 2021
| D-3-Bromocamphor-8-sulfonic acid ammonium salt D-3-Bromocamphor-8-sulfonic acid ammonium salt Untitled 328.22 1 PubChem | InChI | Smiles "2021093015371633016272" 30 Sep 2021
| Tropicamide Tropicamide Tropicamide 284.35 1 PubChem | InChI | Smiles "2021092815161632842202" 28 Sep 2021
| (S)-3-Bromo-2-methyl-propionic acid methyl ester (S)-3-Bromo-2-methyl-propionic acid methyl ester Untitled 181.03 1 PubChem | InChI | Smiles "2021093015021633014128" 30 Sep 2021
| Nickel chloride Nickel chloride Untitled 129.60 4 PubChem | InChI | Smiles "2021092815571632844665" 28 Sep 2021
| (R)-(+)-3-Bromoisobutyric acid methyl ester (R)-(+)-3-Bromoisobutyric acid methyl ester Untitled 181.03 1 PubChem | InChI | Smiles "2021093015381633016312" 30 Sep 2021
| 1,2-Dinitrobenzene 1,2-Dinitrobenzene Untitled 168.11 2 PubChem | InChI | Smiles "2021101308171634113048" 13 Oct 2021
| Cupric chloride Cupric chloride Untitled 134.45 4 PubChem | InChI | Smiles "2021092815581632844704" 28 Sep 2021
| Auramine O Auramine O Auramine o 303.83 3 PubChem | InChI | Smiles "2020102613291603718989" 26 Oct 2020
| (1R)-(+)-Camphanic acid (1R)-(+)-Camphanic acid Untitled 198.22 1 PubChem | InChI | Smiles "2021093016111633018260" 30 Sep 2021
| L-Adrenaline L-Adrenaline L adrenaline 183.20 6 PubChem | InChI | Smiles "2020101212491602506970" 12 Oct 2020
| Ytterbium trichloride Ytterbium trichloride Untitled 279.40 4 PubChem | InChI | Smiles "2021092815591632844772" 28 Sep 2021
| DMAE-NDI dication DMAE-NDI dication Nid 409.46 2 PubChem | InChI | Smiles "2021090716011631030498" 07 Sep 2021
| 2-Hydroxynaphthalene-triethylene-glycol 2-Hydroxynaphthalene-triethylene-glycol 2 hydroxynaphthalene triethylene glycol 276.33 3 PubChem | InChI | Smiles "2020102618511603738263" 26 Oct 2020
| (1R,5S)-hexa(N-me... (1R,5S)-hexa(N-me... Doc2 1633.81 9 PubChem | InChI | Smiles "2020082116051598025938" 21 Aug 2020
| 4-Bromophenol 4-Bromophenol Untitled 173.01 3 PubChem | InChI | Smiles "2021092816001632844809" 28 Sep 2021
| (1S,3R)-(-)-Camphoric acid (1S,3R)-(-)-Camphoric acid Untitled 200.23 1 PubChem | InChI | Smiles "2021093016121633018375" 30 Sep 2021
| Methylcyclohexane Methylcyclohexane Untitled 98.19 1 PubChem | InChI | Smiles "2021101308241634113488" 13 Oct 2021
| Tetrahydropyridazinophthalazine-tetraone-CB6 Tetrahydropyridazinophthalazine-tetraone-CB6 Cb6 analogue 1 1557.04 35 PubChem | InChI | Smiles "2020110110211604226070" 01 Nov 2020
| Dopamine Dopamine Dopamine 153.18 19 PubChem | InChI | Smiles "2020092209511600768309" 22 Sep 2020
| 1,4-Dihydroxybenzene 1,4-Dihydroxybenzene Untitled 110.11 3 PubChem | InChI | Smiles "2021092816071632845254" 28 Sep 2021
| ChCx4-12C ChCx4-12C Gcx4 12c 1618.00 1 PubChem | InChI | Smiles "2020100115501601567435" 01 Oct 2020
| Rb+ Rb+ Rb 85.47 29 PubChem | InChI | Smiles "2021110416061636042008" 04 Nov 2021
| Cyclopentanone Cyclopentanone Untitled 84.12 7 PubChem | InChI | Smiles "2021092816081632845299" 28 Sep 2021
| N-Cbz-D-alanine N-Cbz-D-alanine Untitled 223.23 1 PubChem | InChI | Smiles "2021093016131633018429" 30 Sep 2021
| Cx4R-C2 Cx4R-C2 Cx4r c1 544.59 1 PubChem | InChI | Smiles "2020100207301601623852" 02 Oct 2020
| 3,5-Dimethyladamantan-1-aminium 3,5-Dimethyladamantan-1-aminium 3 5 dimethyladamantan 1 aminium 180.31 1 PubChem | InChI | Smiles "2020111014291605018579" 10 Nov 2020
| 3-Hydroxyadamantan-1-aminium 3-Hydroxyadamantan-1-aminium 3 hydroxyadamantan 1 aminium 168.26 1 PubChem | InChI | Smiles "2020111014381605019093" 10 Nov 2020
| 1-Hydroxynaphthalene 1-Hydroxynaphthalene Untitled 144.17 1 PubChem | InChI | Smiles "2021092816101632845412" 28 Sep 2021
| 2-Acetylguanidinium 2-Acetylguanidinium Untitled 102.12 1 PubChem | InChI | Smiles "2021101816391634575181" 18 Oct 2021
| (R)-Camphorquinone-3-oxime (R)-Camphorquinone-3-oxime %28r%29 camphorquinone 3 oxime 181.24 2 PubChem | InChI | Smiles "2020102720311603830703" 27 Oct 2020
| Nizatidine Nizatidine Nizatidine 331.45 2 PubChem | InChI | Smiles "2020102720391603831198" 27 Oct 2020
| Norfloxacin Norfloxacin Norfloxacin 319.33 8 PubChem | InChI | Smiles "2020101119221602444160" 11 Oct 2020
| Dodecyltrimethylammonium bromide Dodecyltrimethylammonium bromide Untitled 308.34 3 PubChem | InChI | Smiles "2021092816121632845530" 28 Sep 2021
| Octyltrimethylammonium bromide Octyltrimethylammonium bromide Untitled 252.23 2 PubChem | InChI | Smiles "2021092816121632845564" 28 Sep 2021
| 5-aminopentanoate 5-aminopentanoate Untitled 117.15 1 PubChem | InChI | Smiles "2021101816401634575218" 18 Oct 2021
| Decyltrimethylammonium bromide Decyltrimethylammonium bromide Untitled 280.29 3 PubChem | InChI | Smiles "2021092816131632845599" 28 Sep 2021
| (R)-(-)-alpha-Methoxyphenylacetic acid (R)-(-)-alpha-Methoxyphenylacetic acid Untitled 166.18 1 PubChem | InChI | Smiles "2021093016141633018484" 30 Sep 2021
| PEG12BU PEG12BU Peg bu 2678.97 14 PubChem | InChI | Smiles "2020092210141600769682" 22 Sep 2020
| 4-((4-(benzo[d]thiazol-2-yl)piperazin-1-yl)methyl)-7-methoxy-2H-chromen-2-one 4-((4-(benzo[d]thiazol-2-yl)piperazin-1-yl)methyl)-7-methoxy-2H-chromen-2-one 4 %28%284 %28benzo d thiazol 2 yl%29piperazin 1 yl%29methyl%29 7 methoxy 2h chromen 2 one 407.49 1 PubChem | InChI | Smiles "2020111110391605091165" 11 Nov 2020
| Corticosterone Corticosterone Untitled 346.47 1 PubChem | InChI | Smiles "2021092816141632845659" 28 Sep 2021
| Mono[2-O-(2-hydroxypropyl)]-β-CD Mono[2-O-(2-hydroxypropyl)]-β-CD Mono 2 o %282 hydroxypropyl%29 beta cd 1193.07 5 PubChem | InChI | Smiles "2020101615561602863797" 16 Oct 2020
| (R)-N,N-Dimethyl-1-ferrocenylethylamine (R)-N,N-Dimethyl-1-ferrocenylethylamine R ferrocen 257.16 1 PubChem | InChI | Smiles "2020111110501605091859" 11 Nov 2020
| 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-ethyl-4-hydroxy-7-methoxy-2H-chromen-2-onety 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-ethyl-4-hydroxy-7-methoxy-2H-chromen-2-onety Hcd 2 354.36 1 PubChem | InChI | Smiles "2020111110571605092278" 11 Nov 2020
| Megestrol acetate Megestrol acetate Untitled 384.52 1 PubChem | InChI | Smiles "2021092816151632845706" 28 Sep 2021
| Bromocyclobutane Bromocyclobutane Untitled 135.00 2 PubChem | InChI | Smiles "2021101816421634575327" 18 Oct 2021
| 7-Dehydrocholesterol 7-Dehydrocholesterol Untitled 384.65 1 PubChem | InChI | Smiles "2021092816161632845781" 28 Sep 2021
| (R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid (R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid Untitled 234.17 1 PubChem | InChI | Smiles "2021093016151633018518" 30 Sep 2021
| Dibenzofuran-polyethylene-glycol 2 Dibenzofuran-polyethylene-glycol 2 Dibenzofuran polyethylene glycol 2 2209.60 2 PubChem | InChI | Smiles "2020102815071603897666" 28 Oct 2020
| (S)-N,N-Dimethyl-1-ferrocenylethylamine (S)-N,N-Dimethyl-1-ferrocenylethylamine S ferrocen 257.16 1 PubChem | InChI | Smiles "2020111213041605186256" 12 Nov 2020
| Pyrenyl-polyethylene-glycol Pyrenyl-polyethylene-glycol Pyrenyl polyethylene glycol 2213.64 2 PubChem | InChI | Smiles "2020102814061603894001" 28 Oct 2020
| Biphenyl-polyethylene glycol Biphenyl-polyethylene glycol Biphenyl polyethylene glycol 2253.70 2 PubChem | InChI | Smiles "2020102815031603897436" 28 Oct 2020
| p-Iodophenol p-Iodophenol Untitled 220.01 3 PubChem | InChI | Smiles "2021092816191632845952" 28 Sep 2021
| Tetraethylammonium bromide Tetraethylammonium bromide Untitled 210.16 1 PubChem | InChI | Smiles "2021101907571634630233" 19 Oct 2021
| Pyronine Pyronine Pyronine 211.24 2 PubChem | InChI | Smiles "2020102817361603906586" 28 Oct 2020
| Uranine Uranine Uranine 376.28 7 PubChem | InChI | Smiles "2020101209531602496406" 12 Oct 2020
| L-Trp-OMe L-Trp-OMe Untitled 218.26 4 PubChem | InChI | Smiles "2021092816221632846126" 28 Sep 2021
| L-Trp-NH2 L-Trp-NH2 Untitled 203.24 2 PubChem | InChI | Smiles "2021092816221632846177" 28 Sep 2021
| 1-[5-(carbamoylmethylcarbamoyl)-1h-pyrrole-2-ylcarbonyl]guanidinium 1-[5-(carbamoylmethylcarbamoyl)-1h-pyrrole-2-ylcarbonyl]guanidinium Untitled 253.24 1 PubChem | InChI | Smiles "2021101907571634630264" 19 Oct 2021
| 1,1'-diphenyl-[4,4'-bipyridine]-1,1'-diium 1,1'-diphenyl-[4,4'-bipyridine]-1,1'-diium 1 1' diphenyl 4 4' bipyridine 1 1' diium 310.40 1 PubChem | InChI | Smiles "2020111213411605188485" 12 Nov 2020
| 2-Phenethylamine 2-Phenethylamine Untitled 121.18 3 PubChem | InChI | Smiles "2021092816241632846252" 28 Sep 2021
| (S)-Mandelic acid (S)-Mandelic acid Untitled 152.15 1 PubChem | InChI | Smiles "2021093016151633018550" 30 Sep 2021
| (1R,2R,5R)-2-Hydroxy-3-pinanone (1R,2R,5R)-2-Hydroxy-3-pinanone Untitled 168.24 1 PubChem | InChI | Smiles "2021093016161633018606" 30 Sep 2021
| 2-Amino-1-(4-nitrophenyl)-1,3-propanediol hydrochloride 2-Amino-1-(4-nitrophenyl)-1,3-propanediol hydrochloride Untitled 248.66 1 PubChem | InChI | Smiles "2021101908021634630540" 19 Oct 2021
| O,O′-Di-p-toluoyl-L-tartaric acid O,O′-Di-p-toluoyl-L-tartaric acid Untitled 386.36 1 PubChem | InChI | Smiles "2021093016171633018650" 30 Sep 2021
| Memantine Memantine Memantine 179.31 5 PubChem | InChI | Smiles "2021092816051632845103" 28 Sep 2021
| 4-Ethoxyphenol 4-Ethoxyphenol Untitled 138.17 1 PubChem | InChI | Smiles "2021092816241632846288" 28 Sep 2021
| Acetonitrile Acetonitrile Untitled 41.05 5 PubChem | InChI | Smiles "2021092816251632846326" 28 Sep 2021
| TMSP-d4 TMSP-d4 Tmsp d4 150.00 18 PubChem | InChI | Smiles "2020092209551600768527" 22 Sep 2020
| [3.2.2]Cryptand [3.2.2]Cryptand 3.2.2 cryptand 420.50 23 PubChem | InChI | Smiles "2020092209451600767903" 22 Sep 2020
| 5-(aminobutyl)amino)naphthalene-1-sulfonate 5-(aminobutyl)amino)naphthalene-1-sulfonate C 293.00 56 PubChem | InChI | Smiles "2020090907091599635346" 09 Sep 2020
| Morphine Morphine Morphine 285.34 2 PubChem | InChI | Smiles "2020102816351603902915" 28 Oct 2020
| 1-Azatricyclo[3.3.3.0]undecan-1-ylium chloride 1-Azatricyclo[3.3.3.0]undecan-1-ylium chloride 1 azatricyclo 3.3.3.0 undecan 1 ylium chloride 187.71 2 PubChem |