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idnamecidpubchemUrlexactMasshBondAcceptorshBondDonorsinchiKeyiupacNamemolecularFormulamolecularWeightrotatableBondssmilesxLogP
1054pyridoxine1054https://pubchem.ncbi.nlm.nih.gov/compound/1054169.0738932143LXNHXLLTXMVWPM-UHFFFAOYSA-N4,5-bis(hydroxymethyl)-2-methylpyridin-3-olC8H11NO3169.182—-0.8
1118SULFURIC ACID1118https://pubchem.ncbi.nlm.nih.gov/compound/111897.9673797142QAOWNCQODCNURD-UHFFFAOYSA-Nsulfuric acidH2O4S98.080—-1.4
1130thiamine1130https://pubchem.ncbi.nlm.nih.gov/compound/1130265.1123073552JZRWCGZRTZMZEH-UHFFFAOYSA-N2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanolC12H17N4OS+265.364—1
1140toluene1140https://pubchem.ncbi.nlm.nih.gov/compound/114092.06260025500YXFVVABEGXRONW-UHFFFAOYSA-NtolueneC7H892.140—2.7
1176urea1176https://pubchem.ncbi.nlm.nih.gov/compound/117660.03236275512XSQUKJJJFZCRTK-UHFFFAOYSA-NureaCH4N2O60.0560—-1.4
119gamma-aminobutyric acid119https://pubchem.ncbi.nlm.nih.gov/compound/119103.0633285332BTCSSZJGUNDROE-UHFFFAOYSA-N4-aminobutanoic acidC4H9NO2103.123—-3.2
16129672Human Insulin, Solution16129672https://pubchem.ncbi.nlm.nih.gov/compound/161296725805.64435998978PBGKTOXHQIOBKM-FHFVDXKLSA-N(4S)-4-[[2-[[(1R,6R,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42R,47R,50S,53S,56S,59S,62S,65S,68S,71S,74R,77S,80S,83S,88R)-88-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-6-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-47-[[(1S)-3-amino-1-carboxy-3-oxopropyl]carbamoyl]-53-(2-amino-2-oxoethyl)-62-(3-amino-3-oxopropyl)-77-[(2S)-butan-2-yl]-24,56-bis(2-carboxyethyl)-83-[(1R)-1-hydroxyethyl]-12,71,80-tris(hydroxymethyl)-33,50,65-tris[(4-hydroxyphenyl)methyl]-15-(1H-imidazol-5-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-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[(2S)-2-[[(2S)-6-amino-1-[[(1S,2R)-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 acidC257H383N65O77S65808179—-13.1
171548biotin171548https://pubchem.ncbi.nlm.nih.gov/compound/171548244.0881635543YBJHBAHKTGYVGT-ZKWXMUAHSA-N5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acidC10H16N2O3S244.315—0.3
176acetic acid176https://pubchem.ncbi.nlm.nih.gov/compound/17660.02112936621QTBSBXVTEAMEQO-UHFFFAOYSA-Nacetic acidC2H4O260.050—-0.2
180acetone180https://pubchem.ncbi.nlm.nih.gov/compound/18058.04186481110CSCPPACGZOOCGX-UHFFFAOYSA-Npropan-2-oneC3H6O58.080—-0.1
1983acetaminophen1983https://pubchem.ncbi.nlm.nih.gov/compound/1983151.0633285322RZVAJINKPMORJF-UHFFFAOYSA-NN-(4-hydroxyphenyl)acetamideC8H9NO2151.161—0.5
222ammonia222https://pubchem.ncbi.nlm.nih.gov/compound/22217.026549111QGZKDVFQNNGYKY-UHFFFAOYSA-NazaneH3N17.0310—-0.7
2244aspirin2244https://pubchem.ncbi.nlm.nih.gov/compound/2244180.0422587341BSYNRYMUTXBXSQ-UHFFFAOYSA-N2-acetyloxybenzoic acidC9H8O4180.163—1.2
241benzene241https://pubchem.ncbi.nlm.nih.gov/compound/24178.046950191400UHOVQNZJYSORNB-UHFFFAOYSA-NbenzeneC6H678.110—2.1
24749RefChem:67536624749https://pubchem.ncbi.nlm.nih.gov/compound/24749180.063388165GZCGUPFRVQAUEE-UHFFFAOYSA-N2,3,4,5,6-pentahydroxyhexanalC6H12O6180.165—-2.9
2519caffeine2519https://pubchem.ncbi.nlm.nih.gov/compound/2519194.0803755730RYYVLZVUVIJVGH-UHFFFAOYSA-N1,3,7-trimethylpurine-2,6-dioneC8H10N4O2194.190—-0.1
2703chelerythrine2703https://pubchem.ncbi.nlm.nih.gov/compound/2703348.1235830640LLEJIEBFSOEYIV-UHFFFAOYSA-N1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-iumC21H18NO4+348.42—4.6
2723872D-fructopyranose2723872https://pubchem.ncbi.nlm.nih.gov/compound/2723872180.063388165LKDRXBCSQODPBY-VRPWFDPXSA-N(3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrolC6H12O6180.161—-2.8
280carbon dioxide280https://pubchem.ncbi.nlm.nih.gov/compound/28043.98982923920CURLTUGMZLYLDI-UHFFFAOYSA-Ncarbon dioxideCO244.0090—0.9
297methane297https://pubchem.ncbi.nlm.nih.gov/compound/29716.031300127600VNWKTOKETHGBQD-UHFFFAOYSA-NmethaneCH416.0430—0.6
30361-Chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene3036https://pubchem.ncbi.nlm.nih.gov/compound/3036353.91173900YVGGHNCTFXOJCH-UHFFFAOYSA-N1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzeneC14H9Cl5354.52—6.9
311citric acid311https://pubchem.ncbi.nlm.nih.gov/compound/311192.0270025974KRKNYBCHXYNGOX-UHFFFAOYSA-N2-hydroxypropane-1,2,3-tricarboxylic acidC6H8O7192.125—-1.7
33032L-glutamic acid33032https://pubchem.ncbi.nlm.nih.gov/compound/33032147.0531577753WHUUTDBJXJRKMK-VKHMYHEASA-N(2S)-2-aminopentanedioic acidC5H9NO4147.134—-3.7
367258560-75-13672https://pubchem.ncbi.nlm.nih.gov/compound/3672206.13067981321HEFNNWSXXWATRW-UHFFFAOYSA-N2-[4-(2-methylpropyl)phenyl]propanoic acidC13H18O2206.284—3.5
439260norepinephrine439260https://pubchem.ncbi.nlm.nih.gov/compound/439260169.0738932144SFLSHLFXELFNJZ-QMMMGPOBSA-N4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diolC8H11NO3169.182—-1.2
445354retinol445354https://pubchem.ncbi.nlm.nih.gov/compound/445354286.22966557611FPIPGXGPPPQFEQ-OVSJKPMPSA-N(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-olC20H30O286.55—5.7
493570riboflavin493570https://pubchem.ncbi.nlm.nih.gov/compound/493570376.1382843775AUNGANRZJHBGPY-SCRDCRAPSA-N7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dioneC17H20N4O6376.45—-1.5
5202serotonin5202https://pubchem.ncbi.nlm.nih.gov/compound/5202176.09496301123QZAYGJVTTNCVMB-UHFFFAOYSA-N3-(2-aminoethyl)-1H-indol-5-olC10H12N2O176.212—0.2
5234sodium chloride5234https://pubchem.ncbi.nlm.nih.gov/compound/523457.95862210FAPWRFPIFSIZLT-UHFFFAOYSA-Msodium chlorideClNa58.440——
5288826morphine5288826https://pubchem.ncbi.nlm.nih.gov/compound/5288826285.1364934742BQJCRHHNABKAKU-KBQPJGBKSA-N(4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diolC17H19NO3285.340—0.8
5461108ATP(4-)5461108https://pubchem.ncbi.nlm.nih.gov/compound/5461108502.96444645173ZKHQWZAMYRWXGA-KQYNXXCUSA-J[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphateC10H12N5O13P3-4503.157—-6
54670067l-ascorbic acid54670067https://pubchem.ncbi.nlm.nih.gov/compound/54670067176.0320879764CIWBSHSKHKDKBQ-JLAZNSOCSA-N(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-oneC6H8O6176.122—-1.6
5754hydrocortisone5754https://pubchem.ncbi.nlm.nih.gov/compound/5754362.2093240553JYGXADMDTFJGBT-VWUMJDOOSA-N(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-oneC21H30O5362.52—1.6
5757estradiol5757https://pubchem.ncbi.nlm.nih.gov/compound/5757272.17763000422VOXZDWNPVJITMN-ZBRFXRBCSA-N(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diolC18H24O2272.40—4
5793D-Glucopyranose5793https://pubchem.ncbi.nlm.nih.gov/compound/5793180.063388165WQZGKKKJIJFFOK-GASJEMHNSA-N(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrolC6H12O6180.161—-2.6
5816epinephrine5816https://pubchem.ncbi.nlm.nih.gov/compound/5816183.0895432844UCTWMZQNUQWSLP-VIFPVBQESA-N4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diolC9H13NO3183.23—-1.4
5904penicillin g5904https://pubchem.ncbi.nlm.nih.gov/compound/5904334.0987282352JGSARLDLIJGVTE-MBNYWOFBSA-N(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidC16H18N2O4S334.44—1.8
5950L-alanine5950https://pubchem.ncbi.nlm.nih.gov/compound/595089.04767846632QNAYBMKLOCPYGJ-REOHCLBHSA-N(2S)-2-aminopropanoic acidC3H7NO289.091—-3
5962L-lysine5962https://pubchem.ncbi.nlm.nih.gov/compound/5962146.10552769443KDXKERNSBIXSRK-YFKPBYRVSA-N(2S)-2,6-diaminohexanoic acidC6H14N2O2146.195—-3
5988sucrose5988https://pubchem.ncbi.nlm.nih.gov/compound/5988342.11621151118CZMRCDWAGMRECN-UGDNZRGBSA-N(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolC12H22O11342.35—-3.7
5994progesterone5994https://pubchem.ncbi.nlm.nih.gov/compound/5994314.22458019520RJKFOVLPORLFTN-LEKSSAKUSA-N(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-oneC21H30O2314.51—3.9
5997cholesterol5997https://pubchem.ncbi.nlm.nih.gov/compound/5997386.35486608711HVYWMOMLDIMFJA-DPAQBDIFSA-N(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-olC27H46O386.75—8.7
6013testosterone6013https://pubchem.ncbi.nlm.nih.gov/compound/6013288.20893013221MUMGGOZAMZWBJJ-DYKIIFRCSA-N(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-oneC19H28O2288.40—3.3
6037CID-60376037https://pubchem.ncbi.nlm.nih.gov/compound/6037441.1396813596OVBPIULPVIDEAO-LBPRGKRZSA-N(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acidC19H19N7O6441.49—-1.1
6106L-leucine6106https://pubchem.ncbi.nlm.nih.gov/compound/6106131.09462865732ROHFNLRQFUQHCH-YFKPBYRVSA-N(2S)-2-amino-4-methylpentanoic acidC6H13NO2131.173—-1.5
6134beta-D-Lactose6134https://pubchem.ncbi.nlm.nih.gov/compound/6134342.11621151118GUBGYTABKSRVRQ-DCSYEGIMSA-N(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triolC12H22O11342.34—-4.7
6212CHLOROFORM6212https://pubchem.ncbi.nlm.nih.gov/compound/6212117.91438300HEDRZPFGACZZDS-UHFFFAOYSA-NchloroformCHCl3119.370—2.3
6221(1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL6221https://pubchem.ncbi.nlm.nih.gov/compound/6221384.33921602311QYSXJUFSXHHAJI-RWDMXNMGSA-N(1S)-3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-olC27H44O384.66—7.9
6305L-tryptophan6305https://pubchem.ncbi.nlm.nih.gov/compound/6305204.0898776333QIVBCDIJIAJPQS-VIFPVBQESA-N(2S)-2-amino-3-(1H-indol-3-yl)propanoic acidC11H12N2O2204.223—-1.1
6323078CID-63230786323078https://pubchem.ncbi.nlm.nih.gov/compound/6323078455.20295031113QPMNFMMDSHSVRD-ACCUITESSA-N1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-(piperidin-1-ylmethyl)triazole-4-carbohydrazideC20H25N9O4455.58—0.8
6334PROPANE6334https://pubchem.ncbi.nlm.nih.gov/compound/633444.06260025500ATUOYWHBWRKTHZ-UHFFFAOYSA-NpropaneC3H844.10—1.8
6613pantothenic acid6613https://pubchem.ncbi.nlm.nih.gov/compound/6613219.1106726454GHOKWGTUZJEAQD-ZETCQYMHSA-N3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acidC9H17NO5219.236—-1.1
681dopamine681https://pubchem.ncbi.nlm.nih.gov/compound/681153.07897859433VYFYYTLLBUKUHU-UHFFFAOYSA-N4-(2-aminoethyl)benzene-1,2-diolC8H11NO2153.182—-1
702ethanol702https://pubchem.ncbi.nlm.nih.gov/compound/70246.04186481111LFQSCWFLJHTTHZ-UHFFFAOYSA-NethanolC2H6O46.070—-0.1
712formaldehyde712https://pubchem.ncbi.nlm.nih.gov/compound/71230.01056468310WSFSSNUMVMOOMR-UHFFFAOYSA-NformaldehydeCH2O30.0260—1.2
750glycine750https://pubchem.ncbi.nlm.nih.gov/compound/75075.03202840232DHMQDGOQFOQNFH-UHFFFAOYSA-N2-aminoacetic acidC2H5NO275.071—-3.2
753glycerol753https://pubchem.ncbi.nlm.nih.gov/compound/75392.04734411333PEDCQBHIVMGVHV-UHFFFAOYSA-Npropane-1,2,3-triolC3H8O392.092—-1.8
774histamine774https://pubchem.ncbi.nlm.nih.gov/compound/774111.079647322NTYJJOPFIAHURM-UHFFFAOYSA-N2-(1H-imidazol-5-yl)ethanamineC5H9N3111.152—-0.7
7843BUTANE7843https://pubchem.ncbi.nlm.nih.gov/compound/784358.07825031900IJDNQMDRQITEOD-UHFFFAOYSA-NbutaneC4H1058.121—2.9
853DL-Thyroxine853https://pubchem.ncbi.nlm.nih.gov/compound/853776.686753XUIIKFGFIJCVMT-UHFFFAOYSA-N2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acidC15H11I4NO4776.875—2.4
887methanol887https://pubchem.ncbi.nlm.nih.gov/compound/88732.02621474711OKKJLVBELUTLKV-UHFFFAOYSA-NmethanolCH4O32.0420—-0.5
89594nicotine89594https://pubchem.ncbi.nlm.nih.gov/compound/89594162.11569845520SNICXCGAKADSCV-JTQLQIEISA-N3-[(2S)-1-methylpyrrolidin-2-yl]pyridineC10H14N2162.231—1.2
896Melatonin896https://pubchem.ncbi.nlm.nih.gov/compound/896232.12117775722DRLFMBDRBRZALE-UHFFFAOYSA-NN-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideC13H16N2O2232.284—0.8
938nicotinic acid938https://pubchem.ncbi.nlm.nih.gov/compound/938123.03202840231PVNIIMVLHYAWGP-UHFFFAOYSA-Npyridine-3-carboxylic acidC6H5NO2123.111—0.4
947Nitrogen947https://pubchem.ncbi.nlm.nih.gov/compound/94728.00614800820IJGRMHOSHXDMSA-UHFFFAOYSA-Nmolecular nitrogenN228.0140—0.1
962water962https://pubchem.ncbi.nlm.nih.gov/compound/96218.01056468311XLYOFNOQVPJJNP-UHFFFAOYSA-NoxidaneH2O18.0150—-0.5
977oxygen977https://pubchem.ncbi.nlm.nih.gov/compound/97731.98982923920MYMOFIZGZYHOMD-UHFFFAOYSA-Nmolecular oxygenO231.9990—-1.1
996phenol996https://pubchem.ncbi.nlm.nih.gov/compound/99694.04186481111ISWSIDIOOBJBQZ-UHFFFAOYSA-NphenolC6H6O94.110—1.5