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
| Trimethylhexan-1-aminium bromide Trimethylhexan-1-aminium bromide Trimethylhexan 1 aminium bromide 224.18 8 PubChem | InChI | Smiles "2020101120241602447872" 11 Oct 2020
| gly-l-asn gly-l-asn Untitled 189.17 2 PubChem | InChI | Smiles "2023102407321698132720" 24 Oct 2023
| pyrene-modified calix[4]arene derivative pyrene-modified calix[4]arene derivative %e6%8d%95%e8%8e%b7 1283.42 1 PubChem | InChI | Smiles "2021021910521613731943" 19 Feb 2021
| Kr Kr Ar 83.80 1 PubChem | InChI | Smiles "2022070112211656678081" 01 Jul 2022
| Cy5 Cy5 Cy5 625.82 1 PubChem | InChI | Smiles "2020110209431604310215" 02 Nov 2020
| 2,3-[1,2-phenylen... 2,3-[1,2-phenylen... 6 8 one host 1003.19 1 PubChem | InChI | Smiles "2020081213341597239248" 12 Aug 2020
| Spironolactone Spironolactone Spironolactone 416.58 1 PubChem | InChI | Smiles "2021092210161632305793" 22 Sep 2021
| Cx4P-bis(Ph-CCH) Cx4P-bis(Ph-CCH) Untitled 600.79 2 PubChem | InChI | Smiles "2020100115211601565705" 01 Oct 2020
| Toluidine Blue Toluidine Blue Toluidine blue 305.82 2 PubChem | InChI | Smiles "2020102817201603905643" 28 Oct 2020
| 4,4'-Dihydroxybiphenyl 4,4'-Dihydroxybiphenyl Untitled 186.21 2 PubChem | InChI | Smiles "2021102715191635347942" 27 Oct 2021
| Tropicamide (protonated) Tropicamide (protonated) Tropicamide %28protonated%29 285.37 3 PubChem | InChI | Smiles "2020102820441603917862" 28 Oct 2020
| Ac-GKG-NH2 Ac-GKG-NH2 Untitled 302.35 1 PubChem | InChI | Smiles "2021102612451635252349" 26 Oct 2021
| 4,4'-Dipyridine 4,4'-Dipyridine Untitled 156.18 3 PubChem | InChI | Smiles "2021101109391633945162" 11 Oct 2021
| Cycloheptane Cycloheptane Untitled 98.19 1 PubChem | InChI | Smiles "2021101215211634052088" 12 Oct 2021
| 2NpCH2ImidMe 2NpCH2ImidMe 2npch2imidme 303.20 4 PubChem | InChI | Smiles "2022062914561656514567" 29 Jun 2022
| d-sCx4 d-sCx4 D scx4 1533.49 1 PubChem | InChI | Smiles "2021030515021614956548" 05 Mar 2021
| Au-Cx5P-PTA Au-Cx5P-PTA Untitled 953.91 2 PubChem | InChI | Smiles "2020100115221601565766" 01 Oct 2020
| P5A-COOH P5A-COOH P5a cooh 1192.00 10 PubChem | InChI | Smiles "2020093015411601480483" 30 Sep 2020
| N-(furanylmethyl)propanamine N-(furanylmethyl)propanamine Untitled 139.20 2 PubChem | InChI | Smiles "2022062411351656070527" 24 Jun 2022
| cis-azobenzene-TEG cis-azobenzene-TEG Cis azobenzene teg 330.38 1 PubChem | InChI | Smiles "2022062908021656489744" 29 Jun 2022
| Neutral red hydrochloride Neutral red hydrochloride Neutral red hydrochloride 288.78 16 PubChem | InChI | Smiles "2020101209461602495990" 12 Oct 2020
| 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
| sCx6 sCx6 Scx6 1111.06 86 PubChem | InChI | Smiles "2020092113421600695754" 21 Sep 2020
| Ir(III)[bpy]3 Ir(III)[bpy]3 Tris%282 2' bipyridyl%29iridium%28iii%29 660.77 2 PubChem | InChI | Smiles "2021031009001615366816" 10 Mar 2021
| Rhodamine B benzyl ester Rhodamine B benzyl ester Untitled 533.69 1 PubChem | InChI | Smiles "2022062413381656077911" 24 Jun 2022
| 13-(2-Hydroxy-3-formyl-5-bromobenzyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane 13-(2-Hydroxy-3-formyl-5-bromobenzyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane 13 %282 hydroxy 3 formyl 5 bromobenzyl%29 1 4 7 10 tetraoxa 13 azacyclopentadecane 432.30 2 PubChem | InChI | Smiles "2020103019421604086938" 30 Oct 2020
| sCx4-2,4-diNHSO2(4-CO2)Ph sCx4-2,4-diNHSO2(4-CO2)Ph Scx4 2 4 dinhso2%284 co2%29ph 978.00 2 PubChem | InChI | Smiles "2020100115271601566072" 01 Oct 2020
| p-Nitrobenzyltrimethylammonium p-Nitrobenzyltrimethylammonium P nitrobenzyltrimethylammonium 195.24 4 PubChem | InChI | Smiles "2020102217071603386451" 22 Oct 2020
| Chrysene Chrysene Untitled 228.30 1 PubChem | InChI | Smiles "2021100814581633705104" 08 Oct 2021
| 2,6-ANS 2,6-ANS Untitled 298.34 6 PubChem | InChI | Smiles "2021093008251632990330" 30 Sep 2021
| 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
| CB10 CB10 Cb10 1661.40 16 PubChem | InChI | Smiles "2021021708481613551739" 17 Feb 2021
| ethylene viologen ethylene viologen Untitled 212.29 1 PubChem | InChI | Smiles "2022063008371656578255" 30 Jun 2022
| 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
| somatostatin somatostatin Untitled 1637.90 1 PubChem | InChI | Smiles "2021093011521633002731" 30 Sep 2021
| bromhexine bromhexine Untitled 376.13 3 PubChem | InChI | Smiles "2021093014451633013150" 30 Sep 2021
| bis-sCx4 bis-sCx4 Bis scx4 1507.45 4 PubChem | InChI | Smiles "2020120303061606964812" 03 Dec 2020
| spermine spermine Untitled 202.34 4 PubChem | InChI | Smiles "2023090812321694176349" 08 Sep 2023
| 2,2'-Bipyridine 2,2'-Bipyridine Untitled 156.18 3 PubChem | InChI | Smiles "2021110215341635867262" 02 Nov 2021
| HPTS HPTS Untitled 749.00 1 PubChem | InChI | Smiles "2023090513311693920669" 05 Sep 2023
| Mitoxantrone Mitoxantrone Mitoxantrone 444.50 1 PubChem | InChI | Smiles "2022062814521656427971" 28 Jun 2022
| acetylphenylalanine acetylphenylalanine 5e 207.23 2 PubChem | InChI | Smiles "2023072712241690460665" 27 Jul 2023
| Octa-(6-O-(1-ethoxypropan-2-ol))-γ-CD Octa-(6-O-(1-ethoxypropan-2-ol))-γ-CD Octa %286 o %281 ethoxypropan 2 ol%29%29 gamma cd 1761.77 3 PubChem | InChI | Smiles "2020102522031603663414" 25 Oct 2020
| 1,3-Phenylenediamine 1,3-Phenylenediamine Untitled 108.14 7 PubChem | InChI | Smiles "2021092910461632912398" 29 Sep 2021
| 4-[2-[4-(dimethylamino)phenyl]ethenyl]-1-[2-(4-aminophenoxy)ethyl] pyridinium bromide 4-[2-[4-(dimethylamino)phenyl]ethenyl]-1-[2-(4-aminophenoxy)ethyl] pyridinium bromide Ldp 360.47 1 PubChem | InChI | Smiles "2023100911461696851997" 09 Oct 2023
| methyl 2-amino-3-(4-methoxyphenyl)propanoate methyl 2-amino-3-(4-methoxyphenyl)propanoate Untitled 209.24 1 PubChem | InChI | Smiles "2021101215491634053793" 12 Oct 2021
| 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-1,1,1',1''-((benzene-1,3,5-triyltris(oxy))tris(benzene-4,1-diyl))tris(N-benzylmethanaminium) 1 1' 1'' %28%28benzene 1 1 1' 1'' %28%28benzene 1 3 5 triyltris%28oxy%29%29tris%28benzene 4 1 diyl%29%29tris%28n benzylmethanaminium%29 1149.82 3 PubChem | InChI | Smiles "2020102621071603746472" 26 Oct 2020
| Lys-lys Lys-lys Lys lys 274.36 2 PubChem | InChI | Smiles "2020102918421603996952" 29 Oct 2020
| N-Acetyl-l-alanine N-Acetyl-l-alanine Untitled 131.13 2 PubChem | InChI | Smiles "2021102516121635178342" 25 Oct 2021
| (R)-1-(2-naphthyl)ethylammonium (R)-1-(2-naphthyl)ethylammonium Untitled 172.25 3 PubChem | InChI | Smiles "2021093013281633008500" 30 Sep 2021
| Sodium acetate Sodium acetate Untitled 82.03 1 PubChem | InChI | Smiles "2021102512401635165659" 25 Oct 2021
| dl-Leu-Gly-dl-Phe dl-Leu-Gly-dl-Phe Untitled 335.40 2 PubChem | InChI | Smiles "2021101114161633961788" 11 Oct 2021
| Bis[quinoxaline-2,3-diylbis[oxy(3,6-dioxaoctane-1,8-diyl)oxy]]-9,10-dipropylanthracene Bis[quinoxaline-2,3-diylbis[oxy(3,6-dioxaoctane-1,8-diyl)oxy]]-9,10-dipropylanthracene Bis quinoxaline 2 3 diylbis oxy%283 6 dioxaoctane 1 8 diyl%29oxy 9 10 dipropylanthracene 1107.20 3 PubChem | InChI | Smiles "2020102617071603732055" 26 Oct 2020
| Ferulic acid Ferulic acid Ferulic acid 194.18 9 PubChem | InChI | Smiles "2020100715161602083780" 07 Oct 2020
| semithio-Bambus[6]uril semithio-Bambus[6]uril Semithio bu 6 1189.46 6 PubChem | InChI | Smiles "2020081411331597404806" 14 Aug 2020
| H-Phe-Met-OH H-Phe-Met-OH Untitled 296.39 1 PubChem | InChI | Smiles "2021092913011632920519" 29 Sep 2021
| (6E,9E,16E,19E)-1,5,15(1,4),11(4,1)-tetrapyridin-1-iuma-3,8,13,18(1,4)-tetrabenzenacycloicosaphane-6,9,16,19-tetraene-11,51,111,151-tetraium (6E,9E,16E,19E)-1,5,15(1,4),11(4,1)-tetrapyridin-1-iuma-3,8,13,18(1,4)-tetrabenzenacycloicosaphane-6,9,16,19-tetraene-11,51,111,151-tetraium %286e 9e 16e 19e%29 1 5 15%281 4%29 11%284 1%29 tetrapyridin 1 iuma 3 8 13 18%281 4%29 tetrabenzenacycloicosaphane 6 9 16 19 tetraene 11 51 111 151 tetraium 777.01 3 PubChem | InChI | Smiles "2021011215171610464679" 12 Jan 2021
| Phenylenebis[oxy(3,6-dioxaoctane-1,8-diyl)oxy]]quinoxaline and two benzene-triyltris(oxy))tris(benzenediyl))tris(N-benzylmethanaminium) Phenylenebis[oxy(3,6-dioxaoctane-1,8-diyl)oxy]]quinoxaline and two benzene-triyltris(oxy))tris(benzenediyl))tris(N-benzylmethanaminium) Twohostst7 8 2150.89 1 PubChem | InChI | Smiles "2020081213331597239236" 12 Aug 2020
| Geraniol Geraniol Untitled 154.25 1 PubChem | InChI | Smiles "2021093013421633009320" 30 Sep 2021
| cadaverine dihydrochloride cadaverine dihydrochloride Untitled 175.10 2 PubChem | InChI | Smiles "2021102509461635155215" 25 Oct 2021
| Benzylamine hydrochloride Benzylamine hydrochloride Untitled 143.61 3 PubChem | InChI | Smiles "2021100111301633087813" 01 Oct 2021
| HBV4+ HBV4+ %e6%8d%95%e8%8e%b7 426.60 1 PubChem | InChI | Smiles "2020121914171608387439" 19 Dec 2020
| Pinacolone Pinacolone Untitled 100.16 1 PubChem | InChI | Smiles "2022062307511655970699" 23 Jun 2022
| o-Xylyleneglycoluriltetramer o-Xylyleneglycoluriltetramer O xylyleneglycoluriltetramer 844.81 6 PubChem | InChI | Smiles "2020102213361603373780" 22 Oct 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
| (D)-Phenylglycine (D)-Phenylglycine Mfcd00008061 medium 151.16 1 PubChem | InChI | Smiles "2022021413161644844591" 14 Feb 2022
| 4-DMABN 4-DMABN 4 %28dimethylamino%29benzonitrile 146.19 6 PubChem | InChI | Smiles "2021092209561632304570" 22 Sep 2021
| 1,4-Phenylenediamine dihydrochloride 1,4-Phenylenediamine dihydrochloride Untitled 181.06 4 PubChem | InChI | Smiles "2021102509451635155133" 25 Oct 2021
| tert-Butylbenzylketone tert-Butylbenzylketone Y 176.25 1 PubChem | InChI | Smiles "2020081213331597239237" 12 Aug 2020
| acetylalaninate acetylalaninate Untitled 130.12 1 PubChem | InChI | Smiles "2023041813171681823861" 18 Apr 2023
| sCx4-NH(CO)Bz sCx4-NH(CO)Bz Scx4 nh%28co%29bz 780.00 2 PubChem | InChI | Smiles "2020100115241601565864" 01 Oct 2020
| Diethyl methylphosphonate Diethyl methylphosphonate Untitled 152.13 2 PubChem | InChI | Smiles "2021101908111634631107" 19 Oct 2021
| 1,5-diazacyclooctane 1,5-diazacyclooctane Untitled 114.19 3 PubChem | InChI | Smiles "2021093009241632993864" 30 Sep 2021
| DiCh DiCh Untitled1 346.51 1 PubChem | InChI | Smiles "2022072612231658838197" 26 Jul 2022
| Gly-L-Ala Gly-L-Ala Gly l ala 146.14 4 PubChem | InChI | Smiles "2020102521431603662224" 25 Oct 2020
| Piperazine Piperazine Untitled 86.14 2 PubChem | InChI | Smiles "2021101908121634631156" 19 Oct 2021
| Ethylammonium Ethylammonium Untitled 46.09 1 PubChem | InChI | Smiles "2021100814581633705129" 08 Oct 2021
| CB7-OH CB7-OH Cb7 oh 1178.96 8 PubChem | InChI | Smiles "2021102510061635156379" 25 Oct 2021
| trans-Merocyanine trans-Merocyanine Trans merocyanine 352.39 2 PubChem | InChI | Smiles "2020102916161603988164" 29 Oct 2020
| Pyrrole Pyrrole Untitled 67.09 4 PubChem | InChI | Smiles "2021093013521633009952" 30 Sep 2021
| 2,3-[1,2-phenylenebis[oxy(3,6-dioxaoctane-1,8-diyl)oxy]]quinoxaline 2,3-[1,2-phenylenebis[oxy(3,6-dioxaoctane-1,8-diyl)oxy]]quinoxaline 2 3 1 2 phenylenebis oxy%283 6 dioxaoctane 1 8 diyl%29oxy quinoxaline 500.50 9 PubChem | InChI | Smiles "2020100715551602086141" 07 Oct 2020
| p-Xylylendiamine 2+ p-Xylylendiamine 2+ P xylylenediamine2 138.21 3 PubChem | InChI | Smiles "2021102510011635156092" 25 Oct 2021
| 4-DEABN 4-DEABN Untitled 174.24 4 PubChem | InChI | Smiles "2021093013261633008416" 30 Sep 2021
| Dibenzylazanium Dibenzylazanium Untitled 198.28 9 PubChem | InChI | Smiles "2021102214441634913892" 22 Oct 2021
| (-)-Norephedrine hydrochloride (-)-Norephedrine hydrochloride %28 %29 norephedrine hydrochloride 187.66 2 PubChem | InChI | Smiles "2020102916081603987735" 29 Oct 2020
| Tetrabutylammonium trifluoroacetate Tetrabutylammonium trifluoroacetate Untitled 355.50 1 PubChem | InChI | Smiles "2021102507581635148699" 25 Oct 2021
| Methyl CB8-Viologen-Rotaxane Methyl CB8-Viologen-Rotaxane Rotaxane urbach 3190.00 3 PubChem | InChI | Smiles "2021102713391635341949" 27 Oct 2021
| D-Aspartic acid D-Aspartic acid Mfcd00063081 medium 133.10 1 PubChem | InChI | Smiles "2022021413211644844890" 14 Feb 2022
| N-Acetyl-L-glutamic acid N-Acetyl-L-glutamic acid Untitled 189.17 2 PubChem | InChI | Smiles "2021102516421635180125" 25 Oct 2021
| Tris[2,3-quinoxalinediylbis(oxyethyleneoxyethyleneoxyethyleneoxy)]triphenylene Tris[2,3-quinoxalinediylbis(oxyethyleneoxyethyleneoxyethyleneoxy)]triphenylene Tris 2 3 quinoxalinediylbis%28oxyethyleneoxyethyleneoxyethyleneoxy%29 triphenylene 1495.60 3 PubChem | InChI | Smiles "2020102617061603731966" 26 Oct 2020
| N-Acetyl-L-aspartic acid N-Acetyl-L-aspartic acid Untitled 175.14 1 PubChem | InChI | Smiles "2021102516261635179174" 25 Oct 2021
| (S)-N-diaminomethylcarbamoyl-1H-pyrrol-2-yl-methyl-3-methoxy-3-oxopropane-1,2-diaminium (S)-N-diaminomethylcarbamoyl-1H-pyrrol-2-yl-methyl-3-methoxy-3-oxopropane-1,2-diaminium %28s%29 n diaminomethylcarbamoyl 1h pyrrol 2 yl methyl 3 methoxy 3 oxopropane 1 2 diaminium 286.33 5 PubChem | InChI | Smiles "2020102611441603712641" 26 Oct 2020
| 2-Acetylguanidinium 2-Acetylguanidinium Untitled 102.12 1 PubChem | InChI | Smiles "2021101816391634575181" 18 Oct 2021
| ARTK(me3)QTARKSTGY ARTK(me3)QTARKSTGY Artk%28me3%29qtarkstgy 1509.73 7 PubChem | InChI | Smiles "2020101212161602505011" 12 Oct 2020
| Gly-Trp Gly-Trp Untitled 261.28 1 PubChem | InChI | Smiles "2022062411121656069142" 24 Jun 2022
| 2-Aminopyridine 2-Aminopyridine Untitled 94.11 2 PubChem | InChI | Smiles "2021100116271633105620" 01 Oct 2021
| Homopiperazine Homopiperazine 1 4 diazepane 100.16 4 PubChem | InChI | Smiles "2021092815001632841201" 28 Sep 2021
| Tetrabutylammonium tetrafluoroborate Tetrabutylammonium tetrafluoroborate Untitled 329.30 1 PubChem | InChI | Smiles "2021100116201633105222" 01 Oct 2021
| Acid Red 52 Acid Red 52 Untitled 580.65 1 PubChem | InChI | Smiles "2021093013291633008572" 30 Sep 2021
| 2-hydroxyethylamide-BU 2-hydroxyethylamide-BU Untitled 2811.28 3 PubChem | InChI | Smiles "2020082215571598111824" 22 Aug 2020
| Stearyltrimethylammonium Bromide Stearyltrimethylammonium Bromide Untitled 392.50 2 PubChem | InChI | Smiles "2021093013541633010048" 30 Sep 2021
| Doxylamine Doxylamine Untitled 270.38 2 PubChem | InChI | Smiles "2021101908391634632748" 19 Oct 2021
| trans-Merocyanine (protonated) trans-Merocyanine (protonated) Trans merocyanine %28protonated%29 353.40 3 PubChem | InChI | Smiles "2020102916191603988356" 29 Oct 2020
| 1,3-Dimethyluracil 1,3-Dimethyluracil Untitled 140.14 1 PubChem | InChI | Smiles "2021102115421634830953" 21 Oct 2021
| L-tyrosyl-L-alanyl-L-leucine L-tyrosyl-L-alanyl-L-leucine L tyrosyl l alanyl l leucine 365.42 1 PubChem | InChI | Smiles "2023102415471698162456" 24 Oct 2023
| 4-((1E,3E)-4-(4-(dimethylamino)phenyl)buta-1,3-dien-1-yl)-1-methylpyridin-1-ium 4-((1E,3E)-4-(4-(dimethylamino)phenyl)buta-1,3-dien-1-yl)-1-methylpyridin-1-ium Untitled 265.40 2 PubChem | InChI | Smiles "2021093013431633009413" 30 Sep 2021
| Peroxydisulfate Peroxydisulfate Peroxydisulfate 192.13 2 PubChem | InChI | Smiles "2020102913551603979748" 29 Oct 2020
| Propanediurea Clip Propanediurea Clip Sbid 10903 540.58 4 PubChem | InChI | Smiles "2021081808181629274721" 18 Aug 2021
| p-Toluic acid p-Toluic acid Untitled 136.15 4 PubChem | InChI | Smiles "2021101109291633944552" 11 Oct 2021
| pamidronate pamidronate Untitled 235.07 1 PubChem | InChI | Smiles "2021102613391635255599" 26 Oct 2021
| Basic blue 6 Basic blue 6 Untitled 310.78 2 PubChem | InChI | Smiles "2021093016281633019334" 30 Sep 2021
| ARTKQTARK(me3)STGY ARTKQTARK(me3)STGY Artkqtark%28me3%29stgy 1509.73 7 PubChem | InChI | Smiles "2020101211091602500966" 12 Oct 2020
| Propane-d8 Propane-d8 Untitled 52.15 1 PubChem | InChI | Smiles "2021101114201633962040" 11 Oct 2021
| sCx6-C5 sCx6-C5 Scx6 c5 1531.85 1 PubChem | InChI | Smiles "2020100115151601565331" 01 Oct 2020
| Nile Blue chloride Nile Blue chloride Nile blue chloride 353.85 3 PubChem | InChI | Smiles "2020102620511603745468" 26 Oct 2020
| sCx4-NH(CO)Np sCx4-NH(CO)Np Scx4 nh%28co%29np 830.00 2 PubChem | InChI | Smiles "2020100115251601565941" 01 Oct 2020
| MVI2 MVI2 Methyl viologen diiodide 440.06 12 PubChem | InChI | Smiles "2020092212191600777140" 22 Sep 2020
| Sodium hexafluoroantimonate Sodium hexafluoroantimonate Untitled 258.74 2 PubChem | InChI | Smiles "2021100111271633087649" 01 Oct 2021
| all-cis Hexafluorocyclohexane all-cis Hexafluorocyclohexane All cis hexafluorocyclohexane 192.10 8 PubChem | InChI | Smiles "2020101119401602445209" 11 Oct 2020
| Propranolol hydrochloride Propranolol hydrochloride Untitled 295.80 1 PubChem | InChI | Smiles "2021102708531635324800" 27 Oct 2021
| Acridine Orange hydrochloride (protonated) Acridine Orange hydrochloride (protonated) Untitled 301.80 1 PubChem | InChI | Smiles "2021101908361634632580" 19 Oct 2021
| AO HCl AO HCl Ao hcl 265.36 13 PubChem | InChI | Smiles "2020092213101600780201" 22 Sep 2020
| Nandrolone Nandrolone Nandrolone 274.40 32 PubChem | InChI | Smiles "2020101213461602510376" 12 Oct 2020
| Cx4R-C11 Cx4R-C11 Tetraundecyl calix 4 arene 1105.68 2 PubChem | InChI | Smiles "2020100115091601564998" 01 Oct 2020
| Cyclohexanohemi cucurbit[8]uril Cyclohexanohemi cucurbit[8]uril Cyclohexanohemicucurbit 8 uril 1217.58 12 PubChem | InChI | Smiles "2020102313501603461021" 23 Oct 2020
| 2,3-diazabicyclo[3.2.2]non-2-ene 2,3-diazabicyclo[3.2.2]non-2-ene 2 3 diazabicyclo 3.2.2 non 2 ene 124.18 3 PubChem | InChI | Smiles "2020102620381603744684" 26 Oct 2020
| Gly-L-His Gly-L-His Untitled 212.21 2 PubChem | InChI | Smiles "2023102314461698072403" 23 Oct 2023
| 2,3-Diazabicyclo(2.2.2)oct-2-ene 2,3-Diazabicyclo(2.2.2)oct-2-ene Untitled 110.16 62 PubChem | InChI | Smiles "2021092816081632845331" 28 Sep 2021
| D-Glucose D-Glucose Untitled 180.16 1 PubChem | InChI | Smiles "2021102715151635347726" 27 Oct 2021
| clodronate clodronate Untitled 240.86 1 PubChem | InChI | Smiles "2021102613471635256071" 26 Oct 2021
| Protonated 1-isopropyl-4-methyl-DBO Protonated 1-isopropyl-4-methyl-DBO Protonated idb 167.27 1 PubChem | InChI | Smiles "2020081213341597239242" 12 Aug 2020
| 2,3-Diazabicyclo[2.2.1]-hept-2-ene 2,3-Diazabicyclo[2.2.1]-hept-2-ene Untitled 96.13 12 PubChem | InChI | Smiles "2021093010101632996617" 30 Sep 2021
| Cx4 Cx4 Cx4 424.50 66 PubChem | InChI | Smiles "2020092113471600696047" 21 Sep 2020
| Glutathione Glutathione Untitled 307.33 1 PubChem | InChI | Smiles "2023102407181698131920" 24 Oct 2023
| 4-Chlorobenzoic acid 4-Chlorobenzoic acid Untitled 156.56 3 PubChem | InChI | Smiles "2021101215201634052040" 12 Oct 2021
| Coumarin-30-neutral Coumarin-30-neutral Coumarin 30 neutral 347.41 3 PubChem | InChI | Smiles "2021021717231613582606" 17 Feb 2021
| 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
| biphenyl-polyethylene glycol monomethyl ether polymer biphenyl-polyethylene glycol monomethyl ether polymer Untitled 5249.31 2 PubChem | InChI | Smiles "2022062313241655990686" 23 Jun 2022
| sMeCx4 sMeCx4 Smecx4 796.82 3 PubChem | InChI | Smiles "2020100114561601564208" 01 Oct 2020
| Mono-methyl viologen Gly6 scaffold Mono-methyl viologen Gly6 scaffold Mono methyl viologen gly6 scaffold 727.77 3 PubChem | InChI | Smiles "2020102320041603483475" 23 Oct 2020
| Methylated Propanediurea Clip Methylated Propanediurea Clip Sbid 1902 596.69 9 PubChem | InChI | Smiles "2021081808191629274766" 18 Aug 2021
| N-(4-fluorobenzyl)-1-(4-fluorophenyl)-N,N-dimethylmethanaminium N-(4-fluorobenzyl)-1-(4-fluorophenyl)-N,N-dimethylmethanaminium Untitled 262.32 2 PubChem | InChI | Smiles "2023030616281678120109" 06 Mar 2023
| Tetrabutylammonium Tetrabutylammonium Untitled 242.46 14 PubChem | InChI | Smiles "2021102613071635253666" 26 Oct 2021
| 2-Adamantanone 2-Adamantanone Untitled 150.22 1 PubChem | InChI | Smiles "2022101712441666010698" 17 Oct 2022
| Azobenzene-polyethylene-glycol Azobenzene-polyethylene-glycol Untitled 2281.72 2 PubChem | InChI | Smiles "2022062308231655972607" 23 Jun 2022
| acridine orange H+ acridine orange H+ Untitled 266.36 1 PubChem | InChI | Smiles "2022070809211657272089" 08 Jul 2022
| Butyl Rhodamine B Butyl Rhodamine B Untitled 499.67 21 PubChem | InChI | Smiles "2022062407031656054235" 24 Jun 2022
| Viologen-cyclophane-C7 Viologen-cyclophane-C7 Untitled 1088.61 1 PubChem | InChI | Smiles "2020121713441608212665" 17 Dec 2020
| hexamethylbutane-1,4-diaminium iodide hexamethylbutane-1,4-diaminium iodide Hexamethylbutane 1 4 diaminium iodide 428.14 5 PubChem | InChI | Smiles "2020101617031602867831" 16 Oct 2020
| exo-OA exo-OA Exo oa 1729.52 7 PubChem | InChI | Smiles "2020101207311602487890" 12 Oct 2020
| Di-Trp Gly6 target Di-Trp Gly6 target Di trp gly6 target 1116.10 2 PubChem | InChI | Smiles "2020102319591603483169" 23 Oct 2020
| Estradiol benzoate Estradiol benzoate Beta estradiol 3 benzoate 376.50 1 PubChem | InChI | Smiles "2021092210101632305449" 22 Sep 2021
| 5-Bromo-2-adamantanone 5-Bromo-2-adamantanone Untitled 229.11 1 PubChem | InChI | Smiles "2022101712461666010776" 17 Oct 2022
| sP5A sP5A Sp5a %282%29 1631.00 21 PubChem | InChI | Smiles "2022062108541655801649" 21 Jun 2022
| L-serine L-serine Untitled 105.09 1 PubChem | InChI | Smiles "2022070507321657006373" 05 Jul 2022
| 1-adamantylethanol 1-adamantylethanol Adamantylethanol 180.29 1 PubChem | InChI | Smiles "2021010710411610016107" 07 Jan 2021
| Cyanostilbene Cyanostilbene %28z%29 4 %284 %282 %283' 5' bis%28trifluoromethyl%29 1 1' biphenyl 4 yl%29 1 cyanovinyl%29phenyl%29 1 methylpyridin 1 ium chloride 544.92 5 PubChem | InChI | Smiles "2020102720461603831580" 27 Oct 2020
| Boronic acid-containing coumarin aldehyde Boronic acid-containing coumarin aldehyde Boronic acid containing coumarin aldehyde 478.40 7 PubChem | InChI | Smiles "2020101211251602501942" 12 Oct 2020
| SF6 SF6 Compound 146.06 1 PubChem | InChI | Smiles "2021010411331609759985" 04 Jan 2021
| 1,1'-(tridecane-1,13-diyl)bis(1,4-diazabicyclo[2.2.2]octan-1-ium) 1,1'-(tridecane-1,13-diyl)bis(1,4-diazabicyclo[2.2.2]octan-1-ium) D13d2 406.69 1 PubChem | InChI | Smiles "2023042613241682515484" 26 Apr 2023
| 1,5-PENTANEDIOL 1,5-PENTANEDIOL Untitled 104.15 1 PubChem | InChI | Smiles "2021100814291633703378" 08 Oct 2021
| Succinylcholine Succinylcholine Untitled 290.40 4 PubChem | InChI | Smiles "2021100116221633105368" 01 Oct 2021
| di-methyl viologen gly6 scaffold di-methyl viologen gly6 scaffold Di methyl viologen gly6 scaffold 883.01 5 PubChem | InChI | Smiles "2020102320081603483728" 23 Oct 2020
| (S)-1,1,2,4,4-pentamethylpiperazine-1,4-diium (S)-1,1,2,4,4-pentamethylpiperazine-1,4-diium G14s 158.28 1 PubChem | InChI | Smiles "2023011610371673865459" 16 Jan 2023
| 2-Acetamido-3-Phenylpropanoate 2-Acetamido-3-Phenylpropanoate Untitled 206.22 1 PubChem | InChI | Smiles "2021093012531633006402" 30 Sep 2021
| 2AF 2AF Untitled 181.23 1 PubChem | InChI | Smiles "2022062412331656074003" 24 Jun 2022
| N-Butyladamantan-1-aminium N-Butyladamantan-1-aminium Untitled 208.36 3 PubChem | InChI | Smiles "2022063008341656578087" 30 Jun 2022
| syn oxatube syn oxatube Host 1a 1021.24 12 PubChem | InChI | Smiles "2023042512061682424407" 25 Apr 2023
| Isoquinolinium Isoquinolinium Untitled 130.17 2 PubChem | InChI | Smiles "2021101908091634630942" 19 Oct 2021
| TEEtOA TEEtOA Teetoa png 1841.73 4 PubChem | InChI | Smiles "2020123119011609441281" 31 Dec 2020
| Di-Trp Gly4 target Di-Trp Gly4 target Di trp gly4 target 887.90 2 PubChem | InChI | Smiles "2020102319541603482898" 23 Oct 2020
| Camphor Camphor Camphor 152.23 3 PubChem | InChI | Smiles "2020102620231603743818" 26 Oct 2020
| Triphenyleno[2,3-d:6,7-d':10,11-d'']tris([1,3]dioxole)-dimethylbutyl-3-hexylurea Triphenyleno[2,3-d:6,7-d':10,11-d'']tris([1,3]dioxole)-dimethylbutyl-3-hexylurea Waldvogel2 997.31 1 PubChem | InChI | Smiles "2020102313551603461351" 23 Oct 2020
| Tri-Trp Gly4 target Tri-Trp Gly4 target Tri trp gly4 target 1762.66 1 PubChem | InChI | Smiles "2020102319541603482873" 23 Oct 2020
| 5-Hexynoic acid 5-Hexynoic acid 5 hexynoic acid 112.13 4 PubChem | InChI | Smiles "2020102219101603393806" 22 Oct 2020
| P1 P1 Pos1 2238.10 23 PubChem | InChI | Smiles "2020091512281600172938" 15 Sep 2020
| o-(H)2-2.2.2 o-(H)2-2.2.2 O %28h%292 2.2.2 470.51 1 PubChem | InChI | Smiles "2020101212121602504722" 12 Oct 2020
| Dansyl Chloride Dansyl Chloride Dansyl chloride 269.74 1 PubChem | InChI | Smiles "2020111814511605711062" 18 Nov 2020
| Cesium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate Cesium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate Cesium tetrakis 3 5 bis%28trifluoromethyl%29phenyl borate 996.12 1 PubChem | InChI | Smiles "2022111808551668761744" 18 Nov 2022
| Prednisolone Prednisolone Prednisolone 360.45 5 PubChem | InChI | Smiles "2020102717351603820104" 27 Oct 2020
| L-Glu-L-Trp L-Glu-L-Trp L glu l trp 333.34 2 PubChem | InChI | Smiles "2020102720591603832366" 27 Oct 2020
| (S)-3-Phenylbutyric acid (S)-3-Phenylbutyric acid Untitled 164.20 1 PubChem | InChI | Smiles "2021102509511635155475" 25 Oct 2021
| 3-Nitrobenzoic acid 3-Nitrobenzoic acid Untitled 167.12 4 PubChem | InChI | Smiles "2021101109301633944637" 11 Oct 2021
| tri-methyl viologen scaffold tri-methyl viologen scaffold Tri methyl viologen scaffold 1722.86 3 PubChem | InChI | Smiles "2020102320101603483847" 23 Oct 2020
| sMeCx5 sMeCx5 Sme cx5 996.02 3 PubChem | InChI | Smiles "2020100114591601564363" 01 Oct 2020
| Mono-Trp Gly6 target Mono-Trp Gly6 target Mono trp gly6 target 587.59 4 PubChem | InChI | Smiles "2020102319581603483091" 23 Oct 2020
| Corticosterone Corticosterone Untitled 346.47 1 PubChem | InChI | Smiles "2021092816141632845659" 28 Sep 2021
| Br- Br- Bromide 79.90 23 PubChem | InChI | Smiles "2021092207431632296634" 22 Sep 2021
| Tetrafluoroborate Tetrafluoroborate Tetrafluoroborate 86.81 7 PubChem | InChI | Smiles "2021110119261635794765" 01 Nov 2021
| Me12BU Me12BU Me12bu 1093.10 17 PubChem | InChI | Smiles "2020091509091600160998" 15 Sep 2020
| 6-O-alpha-D-glucosyl-β-CD 6-O-alpha-D-glucosyl-β-CD Beta cd %281%29 1297.13 1 PubChem | InChI | Smiles "2021102610001635242438" 26 Oct 2021
| 4-Cyanobenzoic acid 4-Cyanobenzoic acid Untitled 147.13 4 PubChem | InChI | Smiles "2021101215131634051603" 12 Oct 2021
| Berberine chloride Berberine chloride Bc 371.82 137 PubChem | InChI | Smiles "2020100107151601536542" 01 Oct 2020
| Hydrogen iodide Hydrogen iodide Compound 127.91 1 PubChem | InChI | Smiles "2020112714071606486022" 27 Nov 2020
| di-methyl viologen gly4 scaffold di-methyl viologen gly4 scaffold Di methyl viologen gly4 scaffold 1168.26 5 PubChem | InChI | Smiles "2020102320031603483385" 23 Oct 2020
| Mono-Trp Gly4 target Mono-Trp Gly4 target Mono trp gly4 target 473.48 5 PubChem | InChI | Smiles "2020102319481603482494" 23 Oct 2020
| Rocuronium Rocuronium Rocuronium 529.79 9 PubChem | InChI | Smiles "2020100716361602088588" 07 Oct 2020
| NEt2coumarinCHO NEt2coumarinCHO Coumarin aldehyde 245.27 2 PubChem | InChI | Smiles "2022062814051656425146" 28 Jun 2022
| Cholic acid Cholic acid Cholic acid 408.58 3 PubChem | InChI | Smiles "2020102617121603732359" 26 Oct 2020
| 1,3-Dimethylimidazolium 1,3-Dimethylimidazolium Untitled 97.14 6 PubChem | InChI | Smiles "2021100814291633703343" 08 Oct 2021
| Ephedrine hydrochloride Ephedrine hydrochloride Ephedrine hydrochloride 201.69 2 PubChem | InChI | Smiles "2020102916011603987308" 29 Oct 2020
| Bu,NEt2coumarinCHO Bu,NEt2coumarinCHO Bu coumarin aldehyde 301.40 9 PubChem | InChI | Smiles "2022062814061656425184" 28 Jun 2022
| 10-((pyridin-2-yl-l3-oxidaneyl)sulfonyl)decyl 3,4,5-tris(dodecyloxy)benzoate 10-((pyridin-2-yl-l3-oxidaneyl)sulfonyl)decyl 3,4,5-tris(dodecyloxy)benzoate 10 %28%28pyridin 2 yl l3 oxidaneyl%29sulfonyl%29decyl 3 4 5 tris%28dodecyloxy%29benzoate 974.52 2 PubChem | InChI | Smiles "2020103119351604172942" 31 Oct 2020
| [C3mim]Br [C3mim]Br C3mimbr 205.10 1 PubChem | InChI | Smiles "2022062922501656543054" 29 Jun 2022
| METHYL ORANGE METHYL ORANGE Untitled 327.34 5 PubChem | InChI | Smiles "2021102508161635149763" 25 Oct 2021
| Mono-methyl viologen Gly4 scaffold Mono-methyl viologen Gly4 scaffold Mono methyl viologen gly4 scaffold 613.67 3 PubChem | InChI | Smiles "2020102320011603483308" 23 Oct 2020
| Tubocurarine Tubocurarine Tubocurarine 609.74 2 PubChem | InChI | Smiles "2020103109411604137319" 31 Oct 2020
| GGVKKPHY GGVKKPHY Untitled 887.06 1 PubChem | InChI | Smiles "2022062412491656074949" 24 Jun 2022
| (1,4-phenylene)bis(trimethylmethanaminium) bromide (1,4-phenylene)bis(trimethylmethanaminium) bromide %281 4 phenylene%29bis%28trimethylmethanaminium%29 bromide 382.18 4 PubChem | InChI | Smiles "2020102217451603388719" 22 Oct 2020
| 4-Chlorophenol 4-Chlorophenol Untitled 128.56 2 PubChem | InChI | Smiles "2021093013151633007740" 30 Sep 2021
| Dibucaine hydrochloride Dibucaine hydrochloride Dibucaine hydrochloride 379.90 9 PubChem |