HGMMX
Compounds's name IUPAC PubChem CID InChi Key SMILES
Roxatidine acetateacetic acid [2-oxo-2-[3-[3-(1-piperidinylmethyl)phenoxy]propylamino]ethyl] ester5105SMTZFNFIKUPEJC-UHFFFAOYSA-NCC(=O)OCC(=O)NCCCOC1=CC=CC(CN2CCCCC2)=C1
Famcicloviracetic acid [2-(acetyloxymethyl)-4-(2-amino-9-purinyl)butyl] ester3324GGXKWVWZWMLJEH-UHFFFAOYSA-NCC(=O)OCC(CCN1C=NC2=CN=C(N)N=C21)COC(C)=O
Benzthiazide6-chloro-1,1-dioxo-3-[(phenylmethylthio)methyl]-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide2343NDTSRXAMMQDVSW-UHFFFAOYSA-NNS(=O)(=O)C1=CC2=C(C=C1Cl)NC(CSCC1=CC=CC=C1)=NS2(=O)=O
Gemin A2-[5-[[(10R,11S,12R,13R,15R)-3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,12-bis[oxo-(3,4,5-trihydroxyphenyl)methoxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl]oxy-oxomethyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoic acid [(1R,2S,19R,20R,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl] ester16129624ODXMIHPUPFEYDB-HISCDKSNSA-NO=C(OC1OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OC2C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(OC2=C(O)C(O)=C(O)C=C2C(=O)OC2OC3COC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(C=C(O)C(O)=C4O)C(=O)OC3C3OC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(C=C(O)C(O)=C4O)C(=O)OC23)=C1
Ellagitannin3,4,5-trihydroxybenzoic acid [(8R,9S,27R,29S,30R,36R,37S,38S)-2,3,14,15,16,19,20,21,36,37-decahydroxy-6,11,24,32,35-pentaoxo-36-(2-oxopropyl)-7,10,25,28,31,40-hexaoxaoctacyclo[35.2.1.05,39.08,27.09,30.012,17.018,23.033,38]tetraconta-1(39),2,4,12,14,16,18,20,22,33-decaen-29-yl] ester10033935DVBQHEGQMJLCBQ-VFBNLJSFSA-NCC(=O)CC1(O)C(=O)C=C2C(=O)OC3C(OC(=O)C4=CC(O)=C(O)C(O)=C4)OC4COC(=O)C5=CC(O)=C(O)C(O)=C5C5=C(C=C(O)C(O)=C5O)C(=O)OC3C4OC(=O)C3=CC(O)=C(O)C4=C3C2C1(O)O4
Daidzin3-(4-hydroxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one107971KYQZWONCHDNPDP-QNDFHXLGSA-NO=C1C(C2=CC=C(O)C=C2)=COC2=CC(OC3OC(CO)C(O)C(O)C3O)=CC=C12
Myricetin3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-4-one5281672IKMDFBPHZNJCSN-UHFFFAOYSA-NO=C1C(O)=C(C2=CC(O)=C(O)C(O)=C2)OC2=CC(O)=CC(O)=C12
Oroxindin(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(5-hydroxy-8-methoxy-4-oxo-2-phenyl-1-benzopyran-7-yl)oxy]-2-oxanecarboxylic acid3084961LNOHXHDWGCMVCO-NTKSAMNMSA-NCOC1=C(OC2OC(C(=O)O)C(O)C(O)C2O)C=C(O)C2=C1OC(C1=CC=CC=C1)=CC2=O
3,5,7-trimethoxyflavone3,5,7-trimethoxy-2-phenyl-1-benzopyran-4-one117900CBTHKWVPSIGKMI-UHFFFAOYSA-NCOC1=CC(OC)=C2C(=O)C(OC)=C(C3=CC=CC=C3)OC2=C1
4H-1-Benzopyran-4-one, 5-hydroxy-3,7-dimethoxy-2-phenyl5-hydroxy-3,7-dimethoxy-2-phenyl-1-benzopyran-4-one5748697OYCOUDKDRFJOCP-UHFFFAOYSA-NCOC1=CC(O)=C2C(=O)C(OC)=C(C3=CC=CC=C3)OC2=C1
Diosmin5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one5281613GZSOSUNBTXMUFQ-YFAPSIMESA-NCOC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)C=C3O2)C=C1O
Dihydrodaidzein7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one176907JHYXBPPMXZIHKG-UHFFFAOYSA-NO=C1C2=CC=C(O)C=C2OCC1C1=CC=C(O)C=C1
Tectochrysin5-hydroxy-7-methoxy-2-phenyl-1-benzopyran-4-one5281954IRZVHDLBAYNPCT-UHFFFAOYSA-NCOC1=CC(O)=C2C(=O)C=C(C3=CC=CC=C3)OC2=C1
7-Hydroxy-5-methoxy-2-phenyl-chromen-4-one7-hydroxy-5-methoxy-2-phenyl-1-benzopyran-4-one5490127JVEMWXSMSUNXSD-UHFFFAOYSA-NCOC1=CC(O)=CC2=C1C(=O)C=C(C1=CC=CC=C1)O2
Baicalin(2S,3S,4S,5R,6S)-6-[(5,6-dihydroxy-4-oxo-2-phenyl-1-benzopyran-7-yl)oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid64982IKIIZLYTISPENI-ZFORQUDYSA-NO=C(O)C1OC(OC2=CC3=C(C(O)=C2O)C(=O)C=C(C2=CC=CC=C2)O3)C(O)C(O)C1O
Tacrolimus(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone445643QJJXYPPXXYFBGM-LFZNUXCKSA-NC=CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(O)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC
Genistin5-hydroxy-3-(4-hydroxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one5281377ZCOLJUOHXJRHDI-CMWLGVBASA-NO=C1C(C2=CC=C(O)C=C2)=COC2=CC(OC3OC(CO)C(O)C(O)C3O)=CC(O)=C12
Biochanin A5,7-dihydroxy-3-(4-methoxyphenyl)-1-benzopyran-4-one5280373WUADCCWRTIWANL-UHFFFAOYSA-NCOC1=CC=C(C2=COC3=CC(O)=CC(O)=C3C2=O)C=C1
3,5,7,4'-Tetramethoxyflavone3,5,7-trimethoxy-2-(4-methoxyphenyl)-1-benzopyran-4-one631095YZWIIEJLESXODL-UHFFFAOYSA-NCOC1=CC=C(C2=C(OC)C(=O)C3=C(OC)C=C(OC)C=C3O2)C=C1
Robinin5-hydroxy-2-(4-hydroxyphenyl)-7-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one5281693PEFASEPMJYRQBW-HKWQTAEVSA-NCC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(OC5OC(C)C(O)C(O)C5O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O
Calycosin 7-O-glucoside3-(3-hydroxy-4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one5318267WACBUPFEGWUGPB-MIUGBVLSSA-NCOC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC=C3C2=O)C=C1O
ClofazimineN,5-bis(4-chlorophenyl)-3-propan-2-ylimino-2-phenazinamine2794WDQPAMHFFCXSNU-UHFFFAOYSA-NCC(C)N=C1C=C2C(=NC3=CC=CC=C3N2C2=CC=C(Cl)C=C2)C=C1NC1=CC=C(Cl)C=C1
4',5,7-Trimethoxyflavone5,7-dimethoxy-2-(4-methoxyphenyl)-1-benzopyran-4-one79730ZXJJBDHPUHUUHD-UHFFFAOYSA-NCOC1=CC=C(C2=CC(=O)C3=C(OC)C=C(OC)C=C3O2)C=C1
Apigenin 7,4'-dimethyl ether5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-1-benzopyran-4-one5281601LZERJKGWTQYMBB-UHFFFAOYSA-NCOC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC)C=C3O2)C=C1
Rutin2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one5280805IKGXIBQEEMLURG-NVPNHPEKSA-NCC1OC(OCC2OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O
Isoquercitrin2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one5280804OVSQVDMCBVZWGM-QSOFNFLRSA-NO=C1C(OC2OC(CO)C(O)C(O)C2O)=C(C2=CC=C(O)C(O)=C2)OC2=CC(O)=CC(O)=C12
3,5,7,3',4'-pentamethoxyflavone2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-1-benzopyran-4-one97332ALGDHWVALRSLBT-UHFFFAOYSA-NCOC1=CC(OC)=C2C(=O)C(OC)=C(C3=CC=C(OC)C(OC)=C3)OC2=C1
Budesonide(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxy-1-oxoethyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]eicosa-14,17-dien-16-one5281004VOVIALXJUBGFJZ-KWVAZRHASA-NCCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(C(=O)CO)O1
Ayanin5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-1-benzopyran-4-one5280682KPCRYSMUMBNTCK-UHFFFAOYSA-NCOC1=CC(O)=C2C(=O)C(OC)=C(C3=CC=C(OC)C(O)=C3)OC2=C1
Retusin2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-1-benzopyran-4-one5352005HHGPYJLEJGNWJA-UHFFFAOYSA-NCOC1=CC(O)=C2C(=O)C(OC)=C(C3=CC=C(OC)C(OC)=C3)OC2=C1
Quercetin-4'-o-glucoside3,5,7-trihydroxy-2-[3-hydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-1-benzopyran-4-one12442954OIUBYZLTFSLSBY-UHFFFAOYSA-NO=C1C(O)=C(C2=CC=C(OC3OC(CO)C(O)C(O)C3O)C(O)=C2)OC2=CC(O)=CC(O)=C12
N,N-Didesmethyldiltiazemacetic acid [(2S,3S)-5-(2-aminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester10000220ITPLTCJNLBCHHJ-MOPGFXCFSA-NCOC1=CC=C(C2SC3=CC=CC=C3N(CCN)C(=O)C2OC(C)=O)C=C1
Quercetin 3,4'-diglucoside5,7-dihydroxy-2-[3-hydroxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one5320835RPVIQWDFJPYNJM-DEFKTLOSSA-NO=C1C(OC2OC(CO)C(O)C(O)C2O)=C(C2=CC=C(OC3OC(CO)C(O)C(O)C3O)C(O)=C2)OC2=CC(O)=CC(O)=C12
Prednisolone(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one5755OIGNJSKKLXVSLS-VWUMJDOOSA-NCC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO
Thioguanine2-amino-3,7-dihydropurine-6-thione2723601WYWHKKSPHMUBEB-UHFFFAOYSA-NNC1=NC(=S)C2=C(N=C[NH]2)[NH]1
Lactulose(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)-3-oxolanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol11333JCQLYHFGKNRPGE-FCVZTGTOSA-NOCC1OC(OC2C(CO)OC(O)(CO)C2O)C(O)C(O)C1O
Chlorogenic acid(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid1794427CWVRJTMFETXNAD-JUHZACGLSA-NO=C(C=CC1=CC=C(O)C(O)=C1)OC1CC(O)(C(=O)O)CC(O)C1O
Sorivudine5-[(E)-2-bromoethenyl]-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione5282192GCQYYIHYQMVWLT-HQNLTJAPSA-NO=C1[NH]C(=O)N(C2OC(CO)C(O)C2O)C=C1C=CBr
Apigenin5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one5280443KZNIFHPLKGYRTM-UHFFFAOYSA-NO=C1C=C(C2=CC=C(O)C=C2)OC2=CC(O)=CC(O)=C12
Levametabol II3-hydroxy-1-[2-[2-(3-hydroxy-2-oxo-4-phenyl-1-imidazolidinyl)ethyldisulfanyl]ethyl]-4-phenyl-2-imidazolidinone101609861INJHCJQTYRNUTC-UHFFFAOYSA-NO=C1N(CCSSCCN2CC(C3=CC=CC=C3)N(O)C2=O)CC(C2=CC=CC=C2)N1O
Vilazodone5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]-1-piperazinyl]-2-benzofurancarboxamide6918314SGEGOXDYSFKCPT-UHFFFAOYSA-NN#CC1=CC=C2[NH]C=C(CCCCN3CCN(C4=CC=C5OC(C(N)=O)=CC5=C4)CC3)C2=C1
Celecoxib4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide2662RZEKVGVHFLEQIL-UHFFFAOYSA-NCC1=CC=C(C2=CC(C(F)(F)F)=NN2C2=CC=C(S(N)(=O)=O)C=C2)C=C1
Hydrocortisone(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one5754JYGXADMDTFJGBT-VWUMJDOOSA-NCC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO
Levamisole(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole26879HLFSDGLLUJUHTE-SNVBAGLBSA-NC1=CC=C(C2CN3CCSC3=N2)C=C1
Chenodeoxycholic acid(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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]pentanoic acid10133RUDATBOHQWOJDD-BSWAIDMHSA-NCC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
Ursodeoxycholic acid(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-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]pentanoic acid31401RUDATBOHQWOJDD-UZVSRGJWSA-NCC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
Arctigenin(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-oxolanone64981NQWVSMVXKMHKTF-JKSUJKDBSA-NCOC1=CC(CC2C(=O)OCC2CC2=CC=C(OC)C(OC)=C2)=CC=C1O
Geniposide(1S,4aS,7aS)-7-(hydroxymethyl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester107848IBFYXTRXDNAPMM-BVTMAQQCSA-NCOC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12
Naringin(2S)-7-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one442428DFPMSGMNTNDNHN-ZPHOTFPESA-NCC1OC(OC2C(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O)C=C5)OC4=C3)OC(CO)C(O)C2O)C(O)C(O)C1O
Caffeic acid(E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid689043QAIPRVGONGVQAS-DUXPYHPUSA-NO=C(O)C=CC1=CC=C(O)C(O)=C1
Luteolin2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-4-one5280445IQPNAANSBPBGFQ-UHFFFAOYSA-NO=C1C=C(C2=CC=C(O)C(O)=C2)OC2=CC(O)=CC(O)=C12
Glycitein7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-1-benzopyran-4-one5317750DXYUAIFZCFRPTH-UHFFFAOYSA-NCOC1=CC2=C(C=C1O)OC=C(C1=CC=C(O)C=C1)C2=O
Caftaric acid(2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-3-hydroxybutanedioic acid6440397SWGKAHCIOQPKFW-JTNORFRNSA-NO=C(C=CC1=CC=C(O)C(O)=C1)OC(C(=O)O)C(O)C(=O)O
Quercetin2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyran-4-one5280343REFJWTPEDVJJIY-UHFFFAOYSA-NO=C1C(O)=C(C2=CC=C(O)C(O)=C2)OC2=CC(O)=CC(O)=C12
Duloxetine(3S)-N-methyl-3-(1-naphthalenyloxy)-3-thiophen-2-yl-1-propanamine60835ZEUITGRIYCTCEM-KRWDZBQOSA-NCNCCC(OC1=CC=CC2=CC=CC=C12)C1=CC=CS1
Cholest-4-en-3-one(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one91477NYOXRYYXRWJDKP-GYKMGIIDSA-NCC(C)CCCC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
Picosulfuric acidsulfuric acid [4-[2-pyridinyl-(4-sulfooxyphenyl)methyl]phenyl] ester5243UJIDKYTZIQTXPM-UHFFFAOYSA-NO=S(=O)(O)OC1=CC=C(C(C2=CC=C(OS(=O)(=O)O)C=C2)C2=CC=CC=N2)C=C1
Zonisamide1,2-benzoxazol-3-ylmethanesulfonamide5734UBQNRHZMVUUOMG-UHFFFAOYSA-NNS(=O)(=O)CC1=NOC2=CC=CC=C12
Tolcapone(3,4-dihydroxy-5-nitrophenyl)-(4-methylphenyl)methanone4659569MIQPIUSUKVNLNT-UHFFFAOYSA-NCC1=CC=C(C(=O)C2=CC(O)=C(O)C([N+](=O)[O-])=C2)C=C1
Clonazepam5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one2802DGBIGWXXNGSACT-UHFFFAOYSA-NO=C1CN=C(C2=CC=CC=C2Cl)C2=CC([N+](=O)[O-])=CC=C2N1
Trans-resveratrol5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol445154LUKBXSAWLPMMSZ-OWOJBTEDSA-NOC1=CC=C(C=CC2=CC(O)=CC(O)=C2)C=C1
Dihydroresveratrol5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol185914HITJFUSPLYBJPE-UHFFFAOYSA-NOC1=CC=C(CCC2=CC(O)=CC(O)=C2)C=C1
Daidzein7-hydroxy-3-(4-hydroxyphenyl)-1-benzopyran-4-one5281708ZQSIJRDFPHDXIC-UHFFFAOYSA-NO=C1C(C2=CC=C(O)C=C2)=COC2=CC(O)=CC=C12
Metronidazole2-(2-methyl-5-nitro-1-imidazolyl)ethanol4173VAOCPAMSLUNLGC-UHFFFAOYSA-NCC1=NC=C([N+](=O)[O-])N1CCO
Risperidone3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one5073RAPZEAPATHNIPO-UHFFFAOYSA-NCC1=C(CCN2CCC(C3=NOC4=CC(F)=CC=C34)CC2)C(=O)N2CCCCC2=N1
N-Desmethyldiltiazemacetic acid [(2S,3S)-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester107891YOMLDISQSWWYOT-UXHICEINSA-NCNCCN1C(=O)C(OC(C)=O)C(C2=CC=C(OC)C=C2)SC2=CC=CC=C21
Naproxen Methyl Ester(2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid methyl ester9899603ZFYFBPCRUQZGJE-JTQLQIEISA-NCOC(=O)C(C)C1=CC=C2C=C(OC)C=CC2=C1
Ranitidine(E)-N1'-[2-[[5-[(dimethylamino)methyl]-2-furanyl]methylthio]ethyl]-N1-methyl-2-nitroethene-1,1-diamine3001055VMXUWOKSQNHOCA-UKTHLTGXSA-NCNC(=C[N+](=O)[O-])NCCSCC1=CC=C(CN(C)C)O1
Omeprazole6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole4594SUBDBMMJDZJVOS-UHFFFAOYSA-NCOC1=CC=C2N=C(S(=O)CC3=NC=C(C)C(OC)=C3C)[NH]C2=C1
Piceatannol4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol667639CDRPUGZCRXZLFL-OWOJBTEDSA-NOC1=CC(O)=CC(C=CC2=CC=C(O)C(O)=C2)=C1
Nifedipine2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester4485HYIMSNHJOBLJNT-UHFFFAOYSA-NCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C1=CC=CC=C1[N+](=O)[O-]
Misonidazole1-methoxy-3-(2-nitro-1-imidazolyl)-2-propanol26105OBBCSXFCDPPXOL-UHFFFAOYSA-NCOCC(O)CN1C=CN=C1[N+](=O)[O-]
Curcumin(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione969516VFLDPWHFBUODDF-FCXRPNKRSA-NCOC1=CC(C=CC(=O)CC(=O)C=CC2=CC=C(O)C(OC)=C2)=CC=C1O
6-Nitrobenzo[a]pyrene6-nitrobenzo[a]pyrene44374NMMAFYSZGOFZCM-UHFFFAOYSA-NO=[N+]([O-])C1=C2C=CC=CC2=C2C=CC3=CC=CC4=CC=C1C2=C43
Lovastatin acid(3R,5R)-7-[(1S,2S,6R,8S,8aR)-2,6-dimethyl-8-[(2S)-2-methyl-1-oxobutoxy]-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid64727QLJODMDSTUBWDW-BXMDZJJMSA-NCCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)O)C21
Amygdalin(2R)-2-phenyl-2-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxy]acetonitrile656495XUCIJNAGGSZNQT-VEXRWARGSA-NN#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1=CC=CC=C1
3-methyl-3H-imidazo[4,5-f]quinolin-2-amine3-methyl-2-imidazo[4,5-f]quinolinamine53462ARZWATDYIYAUTA-UHFFFAOYSA-NCN1C(N)=NC2=C3C=CC=NC3=CC=C21
Irinotecan4-(1-piperidinyl)-1-piperidinecarboxylic acid [(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]heneicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] ester60838UWKQSNNFCGGAFS-XIFFEERXSA-NCCC1=C2CN3C(=CC4=C(COC(=O)C4(O)CC)C3=O)C2=NC2=CC=C(OC(=O)N3CCC(N4CCCCC4)CC3)C=C12
Amiodarone(2-butyl-3-benzofuranyl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone2157IYIKLHRQXLHMJQ-UHFFFAOYSA-NCCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=CC=CC=C2O1
Nizatidine(E)-N1'-[2-[[2-[(dimethylamino)methyl]-4-thiazolyl]methylthio]ethyl]-N1-methyl-2-nitroethene-1,1-diamine3033637SGXXNSQHWDMGGP-IZZDOVSWSA-NCNC(=C[N+](=O)[O-])NCCSCC1=CSC(CN(C)C)=N1
Kaempferol3,5,7-trihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one5280863IYRMWMYZSQPJKC-UHFFFAOYSA-NO=C1C(O)=C(C2=CC=C(O)C=C2)OC2=CC(O)=CC(O)=C12
Shikonin5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione479503NEZONWMXZKDMKF-SNVBAGLBSA-NCC(C)=CCC(O)C1=CC(=O)C2=C(O)C=CC(O)=C2C1=O
Flunitrazepam5-(2-fluorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one3380PPTYJKAXVCCBDU-UHFFFAOYSA-NCN1C(=O)CN=C(C2=CC=CC=C2F)C2=CC([N+](=O)[O-])=CC=C21
Digoxin3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[[(2R,4S,5S,6R)-5-[[(2S,4S,5S,6R)-5-[[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-4-hydroxy-6-methyl-2-oxanyl]oxy]-4-hydroxy-6-methyl-2-oxanyl]oxy]-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one2724385LTMHDMANZUZIPE-PUGKRICDSA-NCC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O
Fluphenazine2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]-1-piperazinyl]ethanol3372PLDUPXSUYLZYBN-UHFFFAOYSA-NOCCN1CCN(CCCN2C3=CC=CC=C3SC3=CC=C(C(F)(F)F)C=C32)CC1
EpacadostatN'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(sulfamoylamino)ethylamino]-1,2,5-oxadiazole-3-carboximidamide135564890FBKMWOJEPMPVTQ-UHFFFAOYSA-NNS(=O)(=O)NCCNC1=NON=C1C(=NC1=CC=C(F)C(Br)=C1)NO
Tetrahydrodaidzein4-hydroxy-3-(4-hydroxyphenyl)-2,3,5,6-tetrahydro-1-benzopyran-7-one129651510QFXXJMITDXIRBB-UHFFFAOYSA-NO=C1C=C2OCC(C3=CC=C(O)C=C3)C(O)=C2CC1
Nicotine 1-N-oxide3-(1-methyl-1-oxido-2-pyrrolidin-1-iumyl)pyridine409RWFBQHICRCUQJJ-UHFFFAOYSA-NC[N+]1([O-])CCCC1C1=CC=CN=C1
Nitrazepam7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one4506KJONHKAYOJNZEC-UHFFFAOYSA-NO=C1CN=C(C2=CC=CC=C2)C2=CC([N+](=O)[O-])=CC=C2N1
Sulphinpyrazone4-[2-(benzenesulfinyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dione5342MBGGBVCUIVRRBF-UHFFFAOYSA-NO=C1C(CCS(=O)C2=CC=CC=C2)C(=O)N(C2=CC=CC=C2)N1C1=CC=CC=C1
Bromazepam7-bromo-5-(2-pyridinyl)-1,3-dihydro-1,4-benzodiazepin-2-one2441VMIYHDSEFNYJSL-UHFFFAOYSA-NO=C1CN=C(C2=CC=CC=N2)C2=CC(Br)=CC=C2N1
Pinoresinol diglucoside(2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-6-[3-methoxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol174003ZJSJQWDXAYNLNS-FUPWJLLWSA-NCOC1=CC(C2OCC3C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(OC)=C4)OCC23)=CC=C1OC1OC(CO)C(O)C(O)C1O
Paliperidone3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one115237PMXMIIMHBWHSKN-UHFFFAOYSA-NCC1=C(CCN2CCC(C3=NOC4=CC(F)=CC=C34)CC2)C(=O)N2CCCC(O)C2=N1
Methotrexate(2S)-2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid126941FBOZXECLQNJBKD-ZDUSSCGKSA-NCN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C(=O)NC(CCC(=O)O)C(=O)O)C=C1
Hesperidin(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-3,4-dihydro-2H-1-benzopyran-4-one10621QUQPHWDTPGMPEX-QJBIFVCTSA-NCOC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)C=C3O2)C=C1O
Hesperetin(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one72281AIONOLUJZLIMTK-AWEZNQCLSA-NCOC1=CC=C(C2CC(=O)C3=C(O)C=C(O)C=C3O2)C=C1O
Ginsenoside Rk1(2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol11499198KWDWBAISZWOAHD-MHOSXIPRSA-NC=C(CCC=C(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C
Picomonosulfatesulfuric acid [4-[(4-hydroxyphenyl)-(2-pyridinyl)methyl]phenyl] ester208582GZBRDXXUGWPICA-UHFFFAOYSA-NO=S(=O)(O)OC1=CC=C(C(C2=CC=C(O)C=C2)C2=CC=CC=N2)C=C1
Mesalamine5-amino-2-hydroxybenzoic acid4075KBOPZPXVLCULAV-UHFFFAOYSA-NNC1=CC=C(O)C(C(=O)O)=C1
Secoisolariciresinol diglucoside(2R,3R,4S,5S,6R)-2-[(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol9917980SBVBJPHMDABKJV-PGCJWIIOSA-NCOC1=CC(CC(COC2OC(CO)C(O)C(O)C2O)C(COC2OC(CO)C(O)C(O)C2O)CC2=CC=C(O)C(OC)=C2)=CC=C1O
Arctiin(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]methyl]-2-oxolanone100528XOJVHLIYNSOZOO-SWOBOCGESA-NCOC1=CC=C(CC2COC(=O)C2CC2=CC=C(OC3OC(CO)C(O)C(O)C3O)C(OC)=C2)C=C1OC
Lovastatin(2S)-2-methylbutanoic acid [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester53232PCZOHLXUXFIOCF-BXMDZJJMSA-NCCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21
Isosorbide dinitratenitric acid [(3S,3aS,6R,6aS)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] ester6883MOYKHGMNXAOIAT-JGWLITMVSA-NO=[N+]([O-])OC1COC2C(O[N+](=O)[O-])COC12
Beclometasone dipropionatepropanoic acid [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(1-oxopropoxy)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester21700KUVIULQEHSCUHY-XYWKZLDCSA-NCCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(O)CC21C
Cortisone acetateacetic acid [2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester5745ITRJWOMZKQRYTA-RFZYENFJSA-NCC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC21C
2-Amino-3-methylimidazo-(4,5-f)quinoline N-glucuronide(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(3-methyl-2-imidazo[4,5-f]quinolinyl)amino]-2-oxanecarboxylic acid3035934YLRCRCCBJUCMKF-SBJFKYEJSA-NCN1C(NC2OC(C(=O)O)C(O)C(O)C2O)=NC2=C3C=CC=NC3=CC=C21
N-Nitrosopyrrolidine1-nitrosopyrrolidine13591WNYADZVDBIBLJJ-UHFFFAOYSA-NO=NN1CCCC1
AltretamineN2,N2,N4,N4,N6,N6-hexamethyl-1,3,5-triazine-2,4,6-triamine2123UUVWYPNAQBNQJQ-UHFFFAOYSA-NCN(C)C1=NC(N(C)C)=NC(N(C)C)=N1
Amphetamine1-phenyl-2-propanamine3007KWTSXDURSIMDCE-UHFFFAOYSA-NCC(N)CC1=CC=CC=C1
6-Nitrosobenzo(a)pyrene6-nitrosobenzo[a]pyrene119358ICRDTHCKNWXAFG-UHFFFAOYSA-NO=NC1=C2C=CC=CC2=C2C=CC3=CC=CC4=CC=C1C2=C43
Syringic acid4-hydroxy-3,5-dimethoxybenzoic acid10742JMSVCTWVEWCHDZ-UHFFFAOYSA-NCOC1=CC(C(=O)O)=CC(OC)=C1O
1-Nitropyrene1-nitropyrene21694ALRLPDGCPYIVHP-UHFFFAOYSA-NO=[N+]([O-])C1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34
Ferulic acid(E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid445858KSEBMYQBYZTDHS-HWKANZROSA-NCOC1=CC(C=CC(=O)O)=CC=C1O
1,3-Dinitroglycerinnitric acid (2-hydroxy-3-nitrooxypropyl) ester12200ASIGVDLTBLZXNC-UHFFFAOYSA-NO=[N+]([O-])OCC(O)CO[N+](=O)[O-]
Glyceryl trinitratenitric acid 1,3-dinitrooxypropan-2-yl ester4510SNIOPGDIGTZGOP-UHFFFAOYSA-NO=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]
Fludrocortisone acetateacetic acid [2-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester225609SYWHXTATXSMDSB-GSLJADNHSA-NCC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC21C
Levodopa(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid6047WTDRDQBEARUVNC-LURJTMIESA-NNC(CC1=CC=C(O)C(O)=C1)C(=O)O
N-NitrosodiphenylamineN,N-diphenylnitrous amide6838UBUCNCOMADRQHX-UHFFFAOYSA-NO=NN(C1=CC=CC=C1)C1=CC=CC=C1
3,4-Dinitrotoluene4-methyl-1,2-dinitrobenzene11883INYDMNPNDHRJQJ-UHFFFAOYSA-NCC1=CC=C([N+](=O)[O-])C([N+](=O)[O-])=C1
2,3-Dinitrotoluene1-methyl-2,3-dinitrobenzene11761DYSXLQBUUOPLBB-UHFFFAOYSA-NCC1=CC=CC([N+](=O)[O-])=C1[N+](=O)[O-]
Berberine16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]heneicosa-1(13),2,4(8),9,14,16,18,20-octaene2353YBHILYKTIRIUTE-UHFFFAOYSA-NCOC1=CC=C2C=C3C4=CC5=C(C=C4CC[N+]3=CC2=C1OC)OCO5
Prunasin(2R)-2-phenyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]acetonitrile119033ZKSZEJFBGODIJW-GMDXDWKASA-NN#CC(OC1OC(CO)C(O)C(O)C1O)C1=CC=CC=C1
Malvidin2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium-3,5,7-triol159287KZMACGJDUUWFCH-UHFFFAOYSA-OCOC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O)=CC(OC)=C1O
Naringenin(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one439246FTVWIRXFELQLPI-ZDUSSCGKSA-NO=C1CC(C2=CC=C(O)C=C2)OC2=CC(O)=CC(O)=C12
Epicatechin(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol72276PFTAWBLQPZVEMU-UKRRQHHQSA-NOC1=CC(O)=C2CC(O)C(C3=CC=C(O)C(O)=C3)OC2=C1
5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one932FTVWIRXFELQLPI-UHFFFAOYSA-NO=C1CC(C2=CC=C(O)C=C2)OC2=CC(O)=CC(O)=C12
PhenacetinN-(4-ethoxyphenyl)acetamide4754CPJSUEIXXCENMM-UHFFFAOYSA-NCCOC1=CC=C(NC(C)=O)C=C1
Iloperidone1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxyphenyl]ethanone71360XMXHEBAFVSFQEX-UHFFFAOYSA-NCOC1=CC(C(C)=O)=CC=C1OCCCN1CCC(C2=NOC3=CC(F)=CC=C23)CC1
Peonidin2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium-3,5,7-triol441773XFDQJKDGGOEYPI-UHFFFAOYSA-OCOC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O)=CC=C1O
2,4-Dinitrotoluene1-methyl-2,4-dinitrobenzene8461RMBFBMJGBANMMK-UHFFFAOYSA-NCC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-]
Melamine1,3,5-triazine-2,4,6-triamine7955JDSHMPZPIAZGSV-UHFFFAOYSA-NNC1=NC(N)=NC(N)=N1
Phenobarbital5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione4763DDBREPKUVSBGFI-UHFFFAOYSA-NCCC1(C2=CC=CC=C2)C(=O)NC(=O)NC1=O
N-NitrosodimethylamineN,N-dimethylnitrous amide6124UMFJAHHVKNCGLG-UHFFFAOYSA-NCN(C)N=O
Cyclamic acidcyclohexylsulfamic acid7533HCAJEUSONLESMK-UHFFFAOYSA-NO=S(=O)(O)NC1CCCCC1
Trifluridine1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-(trifluoromethyl)pyrimidine-2,4-dione6256VSQQQLOSPVPRAZ-RRKCRQDMSA-NO=C1[NH]C(=O)N(C2CC(O)C(CO)O2)C=C1C(F)(F)F
Azathioprine6-[(3-methyl-5-nitro-4-imidazolyl)thio]-7H-purine2265LMEKQMALGUDUQG-UHFFFAOYSA-NCN1C=NC([N+](=O)[O-])=C1SC1=NC=NC2=C1[NH]C=N2
Sulphinpyrazone sulfid1,2-diphenyl-4-[2-(phenylthio)ethyl]pyrazolidine-3,5-dione77327PLGXGMUJUXKCDD-UHFFFAOYSA-NO=C1C(CCSC2=CC=CC=C2)C(=O)N(C2=CC=CC=C2)N1C1=CC=CC=C1
Succinylsulfathiazole4-oxo-4-[4-(2-thiazolylsulfamoyl)anilino]butanoic acid5315SKVLYVHULOWXTD-UHFFFAOYSA-NO=C(O)CCC(=O)NC1=CC=C(S(=O)(=O)NC2=NC=CS2)C=C1
lorazepam7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one3958DIWRORZWFLOCLC-UHFFFAOYSA-NO=C1NC2=CC=C(Cl)C=C2C(C2=CC=CC=C2Cl)=NC1O
Sulfasalazine2-hydroxy-5-[4-(2-pyridinylsulfamoyl)phenyl]azobenzoic acid5339NCEXYHBECQHGNR-UHFFFAOYSA-NO=C(O)C1=CC(N=NC2=CC=C(S(=O)(=O)NC3=CC=CC=N3)C=C2)=CC=C1O
Prontosil4-(2,4-diaminophenyl)azobenzenesulfonamide66895ABBQGOCHXSPKHJ-UHFFFAOYSA-NNC1=CC=C(N=NC2=CC=C(S(N)(=O)=O)C=C2)C(N)=C1
Neoprontosil6-acetamido-4-hydroxy-3-(4-sulfamoylphenyl)azonaphthalene-2,7-disulfonic acid8625RALNLQYPLYWQRT-UHFFFAOYSA-NCC(=O)NC1=CC2=C(O)C(N=NC3=CC=C(S(N)(=O)=O)C=C3)=C(S(=O)(=O)O)C=C2C=C1S(=O)(=O)O
Mycophenolate mofetil(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid 2-(4-morpholinyl)ethyl ester5281078RTGDFNSFWBGLEC-SYZQJQIISA-NCOC1=C(C)C2=C(C(=O)OC2)C(O)=C1CC=C(C)CCC(=O)OCCN1CCOCC1
Misoprostol7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid methyl ester5282381OJLOPKGSLYJEMD-URPKTTJQSA-NCCCCC(C)(O)CC=CC1C(O)CC(=O)C1CCCCCCC(=O)OC
Olsalazine5-(3-carboxy-4-hydroxyphenyl)azo-2-hydroxybenzoic acid22419QQBDLJCYGRGAKP-UHFFFAOYSA-NO=C(O)C1=CC(N=NC2=CC=C(O)C(C(=O)O)=C2)=CC=C1O
Balsalazide5-[4-[(2-carboxyethylamino)-oxomethyl]phenyl]azo-2-hydroxybenzoic acid54585IPOKCKJONYRRHP-UHFFFAOYSA-NO=C(O)CCNC(=O)C1=CC=C(N=NC2=CC=C(O)C(C(=O)O)=C2)C=C1
Ipsalazide5-[4-[(carboxymethylamino)-oxomethyl]phenyl]azo-2-hydroxybenzoic acid72003CQSRTOJJBONKMC-UHFFFAOYSA-NO=C(O)CNC(=O)C1=CC=C(N=NC2=CC=C(O)C(C(=O)O)=C2)C=C1
Losartan N2-glucuronide(2S,3S,4S,5R,6R)-6-[5-[2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]phenyl]phenyl]-2-tetrazolyl]-3,4,5-trihydroxy-2-oxanecarboxylic acid49849772NGFMQMUIOUSHGR-RTCYWULBSA-NCCCCC1=NC(Cl)=C(CO)N1CC1=CC=C(C2=CC=CC=C2C2=NN(C3OC(C(=O)O)C(O)C(O)C3O)N=N2)C=C1
Loperamide oxide4-[4-(4-chlorophenyl)-4-hydroxy-1-oxido-1-piperidin-1-iumyl]-N,N-dimethyl-2,2-diphenylbutanamide71421KXVSBTJVTUVNPM-UHFFFAOYSA-NCN(C)C(=O)C(CC[N+]1([O-])CCC(O)(C2=CC=C(Cl)C=C2)CC1)(C1=CC=CC=C1)C1=CC=CC=C1
Nilutamide5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione4493XWXYUMMDTVBTOU-UHFFFAOYSA-NCC1(C)NC(=O)N(C2=CC=C([N+](=O)[O-])C(C(F)(F)F)=C2)C1=O
Ketoprofen glucuronide(2S,3S,4S,5R,6S)-6-[2-(3-benzoylphenyl)-1-oxopropoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid131281PBTXSZZKPHBHMA-LYFYOZKASA-NCC(C(=O)OC1OC(C(=O)O)C(O)C(O)C1O)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1
Pinoresinol4-[(3S,3aR,6S,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol73399HGXBRUKMWQGOIE-AFHBHXEDSA-NCOC1=CC(C2OCC3C(C4=CC=C(O)C(OC)=C4)OCC23)=CC=C1O
Irbesartan glucuronide6-[5-[2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]phenyl]-2-tetrazolyl]-3,4,5-trihydroxy-2-oxanecarboxylic acid75304437FVBDVTHTYLLSQE-UHFFFAOYSA-NCCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C2=CC=CC=C2C2=NN(C3OC(C(=O)O)C(O)C(O)C3O)N=N2)C=C1
Indomethacin acyl-B-D-glucuronide(2S,3S,4S,5R,6S)-6-[2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]-1-oxoethoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid70691027QCBWEVBGELGABM-CZLVRFMKSA-NCOC1=CC=C2C(=C1)C(CC(=O)OC1OC(C(=O)O)C(O)C(O)C1O)=C(C)N2C(=O)C1=CC=C(Cl)C=C1
Hydrocortisone acetateacetic acid [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester5744ALEXXDVDDISNDU-JZYPGELDSA-NCC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C
Flucytosine6-amino-5-fluoro-1H-pyrimidin-2-one3366XRECTZIEBJDKEO-UHFFFAOYSA-NNC1=C(F)C=NC(=O)[NH]1
Doxifluridine1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-2-oxolanyl]-5-fluoropyrimidine-2,4-dione18343ZWAOHEXOSAUJHY-ZIYNGMLESA-NCC1OC(N2C=C(F)C(=O)[NH]C2=O)C(O)C1O
Glycyrrhizic acid(2S,3S,4S,5R,6R)-6-[[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxy-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid14982LPLVUJXQOOQHMX-QWBHMCJMSA-NCC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
Diclofenac acyl glucuronide(2S,3S,4S,5R,6S)-6-[2-[2-(2,6-dichloroanilino)phenyl]-1-oxoethoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid16084218JXIKYYSIYCILNG-HBWRTXEVSA-NO=C(CC1=CC=CC=C1NC1=C(Cl)C=CC=C1Cl)OC1OC(C(=O)O)C(O)C(O)C1O
Methamphetamine(2S)-N-methyl-1-phenyl-2-propanamine10836MYWUZJCMWCOHBA-VIFPVBQESA-NCNC(C)CC1=CC=CC=C1
Oxazepam7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one4616ADIMAYPTOBDMTL-UHFFFAOYSA-NO=C1NC2=CC=C(Cl)C=C2C(C2=CC=CC=C2)=NC1O
Norethindrone acetateacetic acid [(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester5832IMONTRJLAWHYGT-ZCPXKWAGSA-NC#CC1(OC(C)=O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C
Nicardipine2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-[2-[methyl-(phenylmethyl)amino]ethyl] ester4474ZBBHBTPTTSWHBA-UHFFFAOYSA-NCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)CC2=CC=CC=C2)C1C1=CC=CC([N+](=O)[O-])=C1
Nitisinone2-[[2-nitro-4-(trifluoromethyl)phenyl]-oxomethyl]cyclohexane-1,3-dione115355OUBCNLGXQFSTLU-UHFFFAOYSA-NO=C1CCCC(=O)C1C(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]
Phenylalanine(2S)-2-amino-3-phenylpropanoic acid6140COLNVLDHVKWLRT-QMMMGPOBSA-NNC(CC1=CC=CC=C1)C(=O)O
Tyrosine(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid6057OUYCCCASQSFEME-QMMMGPOBSA-NNC(CC1=CC=C(O)C=C1)C(=O)O
Candesartan O-glucuronide(2S,3S,4S,5R)-6-[[2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-benzimidazolyl]-oxomethoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid131769984IQMPSFXZXNRDMY-GPKAUORGSA-NCCOC1=NC2=CC=CC(C(=O)OC3OC(C(=O)O)C(O)C(O)C3O)=C2N1CC1=CC=C(C2=CC=CC=C2C2=N[NH]N=N2)C=C1
Choline2-hydroxyethyl(trimethyl)ammonium305OEYIOHPDSNJKLS-UHFFFAOYSA-NC[N+](C)(C)CCO
4-Nitrobenzoic acid4-nitrobenzoic acid6108OTLNPYWUJOZPPA-UHFFFAOYSA-NO=C(O)C1=CC=C([N+](=O)[O-])C=C1
Simvastatin2,2-dimethylbutanoic acid [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester54454RYMZZMVNJRMUDD-HGQWONQESA-NCCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21
3,4-Dihydroxy-5-methoxybenzoic acid3,4-dihydroxy-5-methoxybenzoic acid19829KWCCUYSXAYTNKA-UHFFFAOYSA-NCOC1=CC(C(=O)O)=CC(O)=C1O
Pelargonidin2-(4-hydroxyphenyl)-1-benzopyrylium-3,5,7-triol440832XVFMGWDSJLBXDZ-UHFFFAOYSA-OOC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O)C=C1
Catechin(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol9064PFTAWBLQPZVEMU-DZGCQCFKSA-NOC1=CC(O)=C2CC(O)C(C3=CC=C(O)C(O)=C3)OC2=C1
3-Hydroxycinnamic acid(E)-3-(3-hydroxyphenyl)-2-propenoic acid637541KKSDGJDHHZEWEP-SNAWJCMRSA-NO=C(O)C=CC1=CC=CC(O)=C1
Vanillic acid4-hydroxy-3-methoxybenzoic acid8468WKOLLVMJNQIZCI-UHFFFAOYSA-NCOC1=CC(C(=O)O)=CC=C1O
Nitrofurantoin1-[(E)-(5-nitro-2-furanyl)methylideneamino]imidazolidine-2,4-dione6604200NXFQHRVNIOXGAQ-YCRREMRBSA-NO=C1CN(N=CC2=CC=C([N+](=O)[O-])O2)C(=O)N1
Cyanidin2-(3,4-dihydroxyphenyl)-1-benzopyrylium-3,5,7-triol128861VEVZSMAEJFVWIL-UHFFFAOYSA-OOC1=CC(O)=C2C=C(O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C1
Prasugrelacetic acid [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] ester6918456DTGLZDAWLRGWQN-UHFFFAOYSA-NCC(=O)OC1=CC2=C(CCN(C(C(=O)C3CC3)C3=CC=CC=C3F)C2)S1
Probenecid4-(dipropylsulfamoyl)benzoic acid4911DBABZHXKTCFAPX-UHFFFAOYSA-NCCCN(CCC)S(=O)(=O)C1=CC=C(C(=O)O)C=C1
Rifabutinacetic acid [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23-dioxo-13-spiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(32),2,4,9,19,21,24,26,30-nonaene-28,4'-piperidine]yl] ester135398743ZWBTYMGEBZUQTK-PVLSIAFMSA-NCOC1C=COC2(C)OC3=C(C2=O)C2=C4NC5(CCN(CC(C)C)CC5)N=C4C(=NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)C(O)=C2C(O)=C3C
Sulfamethoxazole4-amino-N-(5-methyl-3-isoxazolyl)benzenesulfonamide5329JLKIGFTWXXRPMT-UHFFFAOYSA-NCC1=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NO1
Megestrol(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one19090VXIMPSPISRVBPZ-NWUMPJBXSA-NCC(=O)C1(O)CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC21C
Camylofine dihydrochloride2-[2-(diethylamino)ethylamino]-2-phenylacetic acid 3-methylbutyl ester;dihydrochloride23724817ZHRVNCCPAKIGRH-UHFFFAOYSA-NCCN(CC)CCNC(C(=O)OCCC(C)C)C1=CC=CC=C1.Cl.Cl
Methylprednisolone(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one6741VHRSUDSXCMQTMA-PJHHCJLFSA-NCC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)CO)C2(C)C=CC(=O)C=C12
Pantoprazole6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole4679IQPSEEYGBUAQFF-UHFFFAOYSA-NCOC1=CC=NC(CS(=O)C2=NC3=CC=C(OC(F)F)C=C3[NH]2)=C1OC
Progesterone(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-one5994RJKFOVLPORLFTN-LEKSSAKUSA-NCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
Racecadotril2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]acetic acid (phenylmethyl) ester107751ODUOJXZPIYUATO-UHFFFAOYSA-NCC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)OCC1=CC=CC=C1
FluoxetineN-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine3386RTHCYVBBDHJXIQ-UHFFFAOYSA-NCNCCC(OC1=CC=C(C(F)(F)F)C=C1)C1=CC=CC=C1
Zidovudine1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)-2-oxolanyl]-5-methylpyrimidine-2,4-dione35370HBOMLICNUCNMMY-XLPZGREQSA-NCC1=CN(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)[NH]C1=O
Allopurinol1,5-dihydropyrazolo[3,4-d]pyrimidin-4-one135401907OFCNXPDARWKPPY-UHFFFAOYSA-NO=C1[NH]C=NC2=C1C=N[NH]2
Bisacodylacetic acid [4-[(4-acetyloxyphenyl)-(2-pyridinyl)methyl]phenyl] ester2391KHOITXIGCFIULA-UHFFFAOYSA-NCC(=O)OC1=CC=C(C(C2=CC=C(OC(C)=O)C=C2)C2=CC=CC=N2)C=C1
Dolasetron1H-indole-3-carboxylic acid [(3S,7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] ester3033818UKTAZPQNNNJVKR-AKJUYKBHSA-NO=C(OC1CC2CC3CC(C1)N2CC3=O)C1=C[NH]C2=CC=CC=C12
Epigallocatechin(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol72277XMOCLSLCDHWDHP-IUODEOHRSA-NOC1=CC(O)=C2CC(O)C(C3=CC(O)=C(O)C(O)=C3)OC2=C1
Exemestane(8R,9S,10R,13S,14S)-10,13-dimethyl-6-methylene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione60198BFYIZQONLCFLEV-DAELLWKTSA-NC=C1CC2C(CCC3(C)C(=O)CCC23)C2(C)C=CC(=O)C=C12
Nimodipine2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-(2-methoxyethyl) ester O5-propan-2-yl ester4497UIAGMCDKSXEBJQ-UHFFFAOYSA-NCOCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1C1=CC=CC([N+](=O)[O-])=C1
Capsaicin(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide1548943YKPUWZUDDOIDPM-SOFGYWHQSA-NCOC1=CC(CNC(=O)CCCCC=CC(C)C)=CC=C1O
Rebamipide2-[[(4-chlorophenyl)-oxomethyl]amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid5042ALLWOAVDORUJLA-UHFFFAOYSA-NO=C(NC(CC1=CC(=O)[NH]C2=CC=CC=C12)C(=O)O)C1=CC=C(Cl)C=C1
Rizatriptan benzoatebenzoic acid;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine77997JPRXYLQNJJVCMZ-UHFFFAOYSA-NCN(C)CCC1=C[NH]C2=CC=C(CN3C=NC=N3)C=C12.O=C(O)C1=CC=CC=C1
Nitrendipine2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester4507PVHUJELLJLJGLN-UHFFFAOYSA-NCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C1=CC=CC([N+](=O)[O-])=C1
SulpirideN-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfamoylbenzamide5355BGRJTUBHPOOWDU-UHFFFAOYSA-NCCN1CCCC1CNC(=O)C1=CC(S(N)(=O)=O)=CC=C1OC
Tenatoprazole5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine636411ZBFDAUIVDSSISP-UHFFFAOYSA-NCOC1=CC=C2[NH]C(S(=O)CC3=NC=C(C)C(OC)=C3C)=NC2=N1
Thiothixene(9Z)-N,N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-2-thioxanthenesulfonamide941651GFBKORZTTCHDGY-UWVJOHFNSA-NCN1CCN(CCC=C2C3=CC=CC=C3SC3=CC=C(S(=O)(=O)N(C)C)C=C23)CC1
Tranilast2-[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid5282230NZHGWWWHIYHZNX-CSKARUKUSA-NCOC1=CC=C(C=CC(=O)NC2=CC=CC=C2C(=O)O)C=C1OC
CapecitabineN-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-2-oxolanyl]-5-fluoro-2-oxo-4-pyrimidinyl]carbamic acid pentyl ester60953GAGWJHPBXLXJQN-UORFTKCHSA-NCCCCCOC(=O)NC1=NC(=O)N(C2OC(C)C(O)C2O)C=C1F
Trimebutine maleate(Z)-2-butenedioic acid;3,4,5-trimethoxybenzoic acid [2-(dimethylamino)-2-phenylbutyl] ester5388977FSRLGULMGJGKGI-BTJKTKAUSA-NCCC(COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)(C1=CC=CC=C1)N(C)C.O=C(O)C=CC(=O)O
Trimetazidine dihydrochloride1-[(2,3,4-trimethoxyphenyl)methyl]piperazine;dihydrochloride83201VYFLPFGUVGMBEP-UHFFFAOYSA-NCOC1=CC=C(CN2CCNCC2)C(OC)=C1OC.Cl.Cl
Valsartan(2S)-3-methyl-2-[1-oxopentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid60846ACWBQPMHZXGDFX-QFIPXVFZSA-NCCCCC(=O)N(CC1=CC=C(C2=CC=CC=C2C2=N[NH]N=N2)C=C1)C(C(=O)O)C(C)C
Vinpocetine(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylic acid ethyl ester443955DDNCQMVWWZOMLN-IRLDBZIGSA-NCCOC(=O)C1=CC2(CC)CCCN3CCC4=C(C32)N1C1=CC=CC=C41
Diacetamateacetic acid (4-acetamidophenyl) ester17499UJAOSPFULOFZRR-UHFFFAOYSA-NCC(=O)NC1=CC=C(OC(C)=O)C=C1
Ergonovine maleate(6aR,9R)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(Z)-2-butenedioic acid6437065YREISLCRUMOYAY-IIPCNOPRSA-NCC(CO)NC(=O)C1C=C2C3=CC=CC4=C3C(=C[NH]4)CC2N(C)C1.O=C(O)C=CC(=O)O
Entacapone(E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide5281081JRURYQJSLYLRLN-BJMVGYQFSA-NCCN(CC)C(=O)C(C#N)=CC1=CC(O)=C(O)C([N+](=O)[O-])=C1
Mevastatin(2S)-2-methylbutanoic acid [(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester64715AJLFOPYRIVGYMJ-INTXDZFKSA-NCCC(C)C(=O)OC1CCC=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21
Lofexidine2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole30668KSMAGQUYOIHWFS-UHFFFAOYSA-NCC(OC1=C(Cl)C=CC=C1Cl)C1=NCCN1
Melphalan(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid460612SGDBTWWWUNNDEQ-LBPRGKRZSA-NNC(CC1=CC=C(N(CCCl)CCCl)C=C1)C(=O)O
Poncirin(2S)-7-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-5-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one442456NLAWPKPYBMEWIR-SKYQDXIQSA-NCOC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1
Methsuximide1,3-dimethyl-3-phenylpyrrolidine-2,5-dione6476AJXPJJZHWIXJCJ-UHFFFAOYSA-NCN1C(=O)CC(C)(C2=CC=CC=C2)C1=O
Methylphenidate2-phenyl-2-(2-piperidinyl)acetic acid methyl ester4158DUGOZIWVEXMGBE-UHFFFAOYSA-NCOC(=O)C(C1=CC=CC=C1)C1CCCCN1
Methysergide maleate(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;(Z)-2-butenedioic acid5281073LWYXFDXUMVEZKS-ZVFOLQIPSA-NCCC(CO)NC(=O)C1C=C2C3=CC=CC4=C3C(=CN4C)CC2N(C)C1.O=C(O)C=CC(=O)O
Metitepine maleate(Z)-2-butenedioic acid;1-methyl-4-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine5358812IWDBEHWZGDSFHR-BTJKTKAUSA-NCSC1=CC=C2SC3=CC=CC=C3CC(N3CCN(C)CC3)C2=C1.O=C(O)C=CC(=O)O
Nafronyl oxalate2-(1-naphthalenylmethyl)-3-(2-oxolanyl)propanoic acid 2-(diethylamino)ethyl ester;oxalic acid312915SSAJNPNVUYMUCI-UHFFFAOYSA-NCCN(CC)CCOC(=O)C(CC1=CC=CC2=CC=CC=C12)CC1CCCO1.O=C(O)C(=O)O
Naftopidil1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-naphthalenyloxy)-2-propanol4418HRRBJVNMSRJFHQ-UHFFFAOYSA-NCOC1=CC=CC=C1N1CCN(CC(O)COC2=CC=CC3=CC=CC=C23)CC1
Naloxone(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one5284596UZHSEJADLWPNLE-GRGSLBFTSA-NC=CCN1CCC23C4=C5C=CC(O)=C4OC2C(=O)CCC3(O)C1C5
Tinidazole1-(2-ethylsulfonylethyl)-2-methyl-5-nitroimidazole5479HJLSLZFTEKNLFI-UHFFFAOYSA-NCCS(=O)(=O)CCN1C([N+](=O)[O-])=CN=C1C
Neostigmine bromide[3-[dimethylamino(oxo)methoxy]phenyl]-trimethylammonium;bromide8246LULNWZDBKTWDGK-UHFFFAOYSA-MCN(C)C(=O)OC1=CC=CC([N+](C)(C)C)=C1.[Br-]
Nicergoline5-bromo-3-pyridinecarboxylic acid [(6aR,9R,10aS)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]methyl ester34040YSEXMKHXIOCEJA-FVFQAYNVSA-NCOC12CC(COC(=O)C3=CN=CC(Br)=C3)CN(C)C1CC1=CN(C)C3=CC=CC2=C13
Norgestimateacetic acid [(3E,8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester6540478KIQQMECNKUGGKA-NMYWJIRASA-NC#CC1(OC(C)=O)CCC2C3CCC4=CC(=NO)CCC4C3CCC21CC
Noscapine(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one275196AKNNEGZIBPJZJG-MSOLQXFVSA-NCOC1=CC=C2C(=C1OC)C(=O)OC2C1C2=C(OC)C3=C(C=C2CCN1C)OCO3
Olmesartan medoxomil5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-imidazolecarboxylic acid (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester130881UQGKUQLKSCSZGY-UHFFFAOYSA-NCCCC1=NC(C(C)(C)O)=C(C(=O)OCC2=C(C)OC(=O)O2)N1CC1=CC=C(C2=CC=CC=C2C2=N[NH]N=N2)C=C1
Orphenadrine citrateN,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid83823MMMNTDFSPSQXJP-UHFFFAOYSA-NCC1=CC=CC=C1C(OCCN(C)C)C1=CC=CC=C1.O=C(O)CC(O)(CC(=O)O)C(=O)O
Paclitaxelbenzoic acid [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-1-oxo-3-phenylpropoxy]-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] ester36314RCINICONZNJXQF-MZXODVADSA-NCC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)C2=CC=CC=C2)C2(O)CC(OC(=O)C(O)C(NC(=O)C3=CC=CC=C3)C3=CC=CC=C3)C(C)=C1C2(C)C
Papaverine1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline4680XQYZDYMELSJDRZ-UHFFFAOYSA-NCOC1=CC=C(CC2=NC=CC3=CC(OC)=C(OC)C=C23)C=C1OC
Penbutolol sulfate(2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)-2-propanol;sulfuric acid38010FEDSNBHHWZEYTP-ZFQYHYQMSA-NCC(C)(C)NCC(O)COC1=CC=CC=C1C1CCCC1.CC(C)(C)NCC(O)COC1=CC=CC=C1C1CCCC1.O=S(=O)(O)O
Pericyazine10-[3-(4-hydroxy-1-piperidinyl)propyl]-2-phenothiazinecarbonitrile4747LUALIOATIOESLM-UHFFFAOYSA-NN#CC1=CC=C2SC3=CC=CC=C3N(CCCN3CCC(O)CC3)C2=C1
PrimaquineN4-(6-methoxy-8-quinolinyl)pentane-1,4-diamine4908INDBQLZJXZLFIT-UHFFFAOYSA-NCOC1=CC(NC(C)CCCN)=C2N=CC=CC2=C1
Pidotimod(4R)-3-[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]-4-thiazolidinecarboxylic acid65944UUTKICFRNVKFRG-WDSKDSINSA-NO=C1CCC(C(=O)N2CSCC2C(=O)O)N1
Pranoprofen2-(5H-[1]benzopyrano[2,3-b]pyridin-7-yl)propanoic acid4888TVQZAMVBTVNYLA-UHFFFAOYSA-NCC(C(=O)O)C1=CC=C2OC3=NC=CC=C3CC2=C1
Procarbazine4-[(methylhydrazo)methyl]-N-propan-2-ylbenzamide4915CPTBDICYNRMXFX-UHFFFAOYSA-NCNNCC1=CC=C(C(=O)NC(C)C)C=C1
Diphenylpyraline4-(diphenylmethyl)oxy-1-methylpiperidine3103OWQUZNMMYNAXSL-UHFFFAOYSA-NCN1CCC(OC(C2=CC=CC=C2)C2=CC=CC=C2)CC1
EthopropazineN,N-diethyl-1-(10-phenothiazinyl)-2-propanamine3290CDOZDBSBBXSXLB-UHFFFAOYSA-NCCN(CC)C(C)CN1C2=CC=CC=C2SC2=CC=CC=C21
Ethoxzolamide6-ethoxy-1,3-benzothiazole-2-sulfonamide3295OUZWUKMCLIBBOG-UHFFFAOYSA-NCCOC1=CC=C2N=C(S(N)(=O)=O)SC2=C1
Famprofazone1-methyl-5-[[methyl(1-phenylpropan-2-yl)amino]methyl]-2-phenyl-4-propan-2-yl-3-pyrazolone3326GNUXVOXXWGNPIV-UHFFFAOYSA-NCC(C)C1=C(CN(C)C(C)CC2=CC=CC=C2)N(C)N(C2=CC=CC=C2)C1=O
Fenofibrate2-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-2-methylpropanoic acid propan-2-yl ester3339YMTINGFKWWXKFG-UHFFFAOYSA-NCC(C)OC(=O)C(C)(C)OC1=CC=C(C(=O)C2=CC=C(Cl)C=C2)C=C1
Fenspiride8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one3344FVNFBBAOMBJTST-UHFFFAOYSA-NO=C1NCC2(CCN(CCC3=CC=CC=C3)CC2)O1
Gliclazide1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-methylphenyl)sulfonylurea3475BOVGTQGAOIONJV-UHFFFAOYSA-NCC1=CC=C(S(=O)(=O)NC(=O)NN2CC3CCCC3C2)C=C1
DasatinibN-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamide3062316ZBNZXTGUTAYRHI-UHFFFAOYSA-NCC1=NC(NC2=NC=C(C(=O)NC3=C(C)C=CC=C3Cl)S2)=CC(N2CCN(CCO)CC2)=N1
VorinostatN'-hydroxy-N-phenyloctanediamide5311WAEXFXRVDQXREF-UHFFFAOYSA-NO=C(CCCCCCC(=O)NC1=CC=CC=C1)NO
Idebenone2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione3686JGPMMRGNQUBGND-UHFFFAOYSA-NCOC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O
Irsogladine maleate(Z)-2-butenedioic acid;6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine5282435PJLVTVAIERNDEQ-BTJKTKAUSA-NNC1=NC(N)=NC(C2=CC(Cl)=CC=C2Cl)=N1.O=C(O)C=CC(=O)O
Chlormezanone2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one2717WEQAYVWKMWHEJO-UHFFFAOYSA-NCN1C(=O)CCS(=O)(=O)C1C1=CC=C(Cl)C=C1
Clemastine fumarate(E)-2-butenedioic acid;(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine5281069PMGQWSIVQFOFOQ-YKVZVUFRSA-NCN1CCCC1CCOC(C)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1.O=C(O)C=CC(=O)O
Clemizole1-[(4-chlorophenyl)methyl]-2-(1-pyrrolidinylmethyl)benzimidazole2782CJXAEXPPLWQRFR-UHFFFAOYSA-NClC1=CC=C(CN2C(CN3CCCC3)=NC3=CC=CC=C32)C=C1
Cyproterone acetateacetic acid [(1S,2S,3S,5R,11R,12S,15R,16S)-15-acetyl-9-chloro-2,16-dimethyl-6-oxo-15-pentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-dienyl] ester9880UWFYSQMTEOIJJG-FDTZYFLXSA-NCC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC21C
Danazol(1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]eicosa-4(8),5,9-trien-17-ol28417POZRVZJJTULAOH-LHZXLZLDSA-NC#CC1(O)CCC2C3CCC4=CC5=C(C=NO5)CC4(C)C3CCC21C
Deflazacortacetic acid [2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-6,9,13-trimethyl-16-oxo-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]eicosa-6,14,17-trien-8-yl]-2-oxoethyl] ester189821FBHSPRKOSMHSIF-GRMWVWQJSA-NCC(=O)OCC(=O)C12N=C(C)OC1CC1C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C
Diflorasone diacetateacetic acid [2-[(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-acetyloxy-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester71414BOBLHFUVNSFZPJ-JOYXJVLSSA-NCC(=O)OCC(=O)C1(OC(C)=O)C(C)CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C
Bezafibrate2-[4-[2-[[(4-chlorophenyl)-oxomethyl]amino]ethyl]phenoxy]-2-methylpropanoic acid39042IIBYAHWJQTYFKB-UHFFFAOYSA-NCC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(=O)O
Phenazopyridine3-phenyldiazenylpyridine-2,6-diamine4756QPFYXYFORQJZEC-UHFFFAOYSA-NNC1=CC=C(N=NC2=CC=CC=C2)C(N)=N1
Triclosan glucuronide(2S,3S,4S,5R,6S)-6-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid71752714DNYVWBJVOYZRCX-RNGZQALNSA-NO=C(O)C1OC(OC2=CC(Cl)=CC=C2OC2=CC=C(Cl)C=C2Cl)C(O)C(O)C1O
Triclosan sulfatesulfuric acid [5-chloro-2-(2,4-dichlorophenoxy)phenyl] ester67606152ZPFYUMPBKRRSTR-UHFFFAOYSA-NO=S(=O)(O)OC1=CC(Cl)=CC=C1OC1=CC=C(Cl)C=C1Cl
p-cresol glucuronide(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methylphenoxy)-2-oxanecarboxylic acid154035JPAUCQAJHLSMQW-XPORZQOISA-NCC1=CC=C(OC2OC(C(=O)O)C(O)C(O)C2O)C=C1
theaflavin-3, 3'-digallate3,4,5-trihydroxybenzoic acid [(2R,3R)-2-[1-[(2S,3S)-5,7-dihydroxy-3-[oxo-(3,4,5-trihydroxyphenyl)methoxy]-3,4-dihydro-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxo-8-benzo[7]annulenyl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl] ester136277567ZEASWHWETFMWCV-VRCJZDCUSA-NO=C(OC1CC2=C(O)C=C(O)C=C2OC1C1=CC2=C(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)C=C(O)C(O)=C2C(=O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1
theaflavin-3-gallate3,4,5-trihydroxybenzoic acid [(2R,3R)-5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-8-benzo[7]annulenyl]-3,4-dihydro-2H-1-benzopyran-3-yl] ester169167KMJPKUVSXFVQGZ-WQLSNUALSA-NO=C(OC1CC2=C(O)C=C(O)C=C2OC1C1=CC(=O)C(O)=C2C(O)=C(O)C=C(C3OC4=CC(O)=CC(O)=C4CC3O)C2=C1)C1=CC(O)=C(O)C(O)=C1
gallic acid3,4,5-trihydroxybenzoic acid370LNTHITQWFMADLM-UHFFFAOYSA-NO=C(O)C1=CC(O)=C(O)C(O)=C1
Malvidin-3-glucoside(2S,3R,4S,5S,6R)-2-[[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol443652PXUQTDZNOHRWLI-OXUVVOBNSA-OCOC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O
Genistein5,7-dihydroxy-3-(4-hydroxyphenyl)-1-benzopyran-4-one5280961TZBJGXHYKVUXJN-UHFFFAOYSA-NO=C1C(C2=CC=C(O)C=C2)=COC2=CC(O)=CC(O)=C12
Ganoderic acid A(2R,6R)-6-[(5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid471002DYOKDAQBNHPJFD-JNTBEZBXSA-NCC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O
Ganoderic Acid C2(2R,6R)-2-methyl-4-oxo-6-[(3S,5R,7S,10S,13R,14R,15S,17R)-3,7,15-trihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid57396771RERVSJVGWKIGTJ-RQLZKMEDSA-NCC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O
1-(3', 4'-dihydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol2-[3-(3,4-dihydroxyphenyl)-2-hydroxypropyl]benzene-1,3,5-triol21722175OFUFTNROAPAIQL-UHFFFAOYSA-NOC1=CC(O)=C(CC(O)CC2=CC=C(O)C(O)=C2)C(O)=C1
Carbetapentane citrate2-hydroxypropane-1,2,3-tricarboxylic acid;1-phenyl-1-cyclopentanecarboxylic acid 2-[2-(diethylamino)ethoxy]ethyl ester90010AKJDEXBCRLOVTH-UHFFFAOYSA-NCCN(CC)CCOCCOC(=O)C1(C2=CC=CC=C2)CCCC1.O=C(O)CC(O)(CC(=O)O)C(=O)O
Deoxynivalenol 3-glucoside(1S,2R,7R,9R,10R,11S,12S)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4,10,11-triol71312509ZAXZBJSXSOISTF-RZHXSNCESA-NCC1=CC2OC3C(O)C(O)C(C)(C2(CO)CC1O)C31CO1
Deoxynivalenol (1R,2R,3S,7R,9R,10R,12S)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]one40024LINOMUASTDIRTM-QGRHZQQGSA-NCC1=CC2OC3C(O)CC(C)(C34CO4)C2(CO)C(O)C1=O
flurbiprofen2-(3-fluoro-4-phenylphenyl)propanoic acid3394SYTBZMRGLBWNTM-UHFFFAOYSA-NCC(C(=O)O)C1=CC=C(C2=CC=CC=C2)C(F)=C1
Flurbiprofen amide2-(3-fluoro-4-phenylphenyl)propanamide9837706MRGROCIVLXFMNN-UHFFFAOYSA-NCC(C(N)=O)C1=CC=C(C2=CC=CC=C2)C(F)=C1
warfarin4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one54678486PJVWKTKQMONHTI-UHFFFAOYSA-NCC(=O)CC(C1=CC=CC=C1)C1=C(O)C2=CC=CC=C2OC1=O
Dihydroxanthohumol1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)-1-propanone10450920SVTCZHIDEDUTBH-UHFFFAOYSA-NCOC1=CC(O)=C(CC=C(C)C)C(O)=C1C(=O)CCC1=CC=C(O)C=C1
4-Hydroxywarfarin4-hydroxy-3-[1-(4-hydroxyphenyl)-3-oxobutyl]-1-benzopyran-2-one54682146RRZWAMPDGRWRPF-UHFFFAOYSA-NCC(=O)CC(C1=CC=C(O)C=C1)C1=C(O)C2=CC=CC=C2OC1=O
Benzo[a]pyrenebenzo[a]pyrene2336FMMWHPNWAFZXNH-UHFFFAOYSA-NC1=CC=C2C(=C1)C=C1C=CC3=CC=CC4=CC=C2C1=C34
2,4,5-Trichlorobiphenyl1,2,4-trichloro-5-phenylbenzene27514VGVIKVCCUATMNG-UHFFFAOYSA-NClC1=CC(Cl)=C(C2=CC=CC=C2)C=C1Cl
Bismuthbismuth5359367JCXGWMGPZLAOME-UHFFFAOYSA-N[Bi]
Dichlorodiphenyltrichloroethane1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene3036YVGGHNCTFXOJCH-UHFFFAOYSA-NClC1=CC=C(C(C2=CC=C(Cl)C=C2)C(Cl)(Cl)Cl)C=C1
mercuricdichloromercury24085LWJROJCJINYWOX-UHFFFAOYSA-LCl[Hg]Cl
arsenic acidarsoric acid234DJHGAFSJWGLOIV-UHFFFAOYSA-NO=[As](O)(O)O
carnitine3-hydroxy-4-(trimethylammonio)butanoate288PHIQHXFUZVPYII-UHFFFAOYSA-NC[N+](C)(C)CC(O)CC(=O)[O-]
Desmethylxanthohumol(E)-3-(4-hydroxyphenyl)-1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]-2-propen-1-one6443339FUSADYLVRMROPL-UXBLZVDNSA-NCC(C)=CCC1=C(O)C=C(O)C(C(=O)C=CC2=CC=C(O)C=C2)=C1O
Linoleic Acid(9Z,12Z)-octadeca-9,12-dienoic acid5280450OYHQOLUKZRVURQ-HZJYTTRNSA-NCCCCCC=CCC=CCCCCCCCC(=O)O
Amaranthtrisodium;3-hydroxy-4-[(4-sulfonato-1-naphthalenyl)azo]naphthalene-2,7-disulfonate13506WLDHEUZGFKACJH-UHFFFAOYSA-KO=S(=O)([O-])C1=CC=C2C(N=NC3=CC=C(S(=O)(=O)[O-])C4=CC=CC=C34)=C(O)C(S(=O)(=O)[O-])=CC2=C1.[Na+].[Na+].[Na+]
Potassium oxonatepotassium;4,6-dioxo-1H-1,3,5-triazine-2-carboxylate2723920IAPCTXZQXAVYNG-UHFFFAOYSA-MO=C([O-])C1=NC(=O)[NH]C(=O)[NH]1.[K+]
Deleobuvir(E)-3-[2-[1-[[[2-(5-bromo-2-pyrimidinyl)-3-cyclopentyl-1-methyl-6-indolyl]-oxomethyl]amino]cyclobutyl]-3-methyl-5-benzimidazolyl]-2-propenoic acid56948249BMAIGAHXAJEULY-UKTHLTGXSA-NCN1C(C2(NC(=O)C3=CC=C4C(C5CCCC5)=C(C5=NC=C(Br)C=N5)N(C)C4=C3)CCC2)=NC2=CC=C(C=CC(=O)O)C=C21
doxorubicin(7S,9S)-7-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione31703AOJJSUZBOXZQNB-TZSSRYMLSA-NCOC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(=O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O
7-deoxydoxorubicinone(9R)-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione83958QHGFPRZWWKUHKF-OAQYLSRUSA-NCOC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(=O)CO)CC3)C(O)=C1C2=O
Oxyresveratrol4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol5281717PDHAOJSHSJQANO-OWOJBTEDSA-NOC1=CC(O)=CC(C=CC2=CC=C(O)C=C2O)=C1
aesculin7-hydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-2-one5281417XHCADAYNFIFUHF-TVKJYDDYSA-NO=C1C=CC2=CC(OC3OC(CO)C(O)C(O)C3O)=C(O)C=C2O1
arbutin(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol440936BJRNKVDFDLYUGJ-RMPHRYRLSA-NOCC1OC(OC2=CC=C(O)C=C2)C(O)C(O)C1O
8-((beta-D-Glucopyranosyl)oxy)quinoline(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(8-quinolinyloxy)oxane-3,4,5-triol152983BWMXDESAZVPVGR-GSZWNOCJSA-NOCC1OC(OC2=CC=CC3=CC=CN=C23)C(O)C(O)C1O
Puerarin7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one5281807HKEAFJYKMMKDOR-VPRICQMDSA-NO=C1C(C2=CC=C(O)C=C2)=COC2=C(C3OC(CO)C(O)C(O)C3O)C(O)=CC=C12
Aflatoxin B1(3S,7R)-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione186907OQIQSTLJSLGHID-WNWIJWBNSA-NCOC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C=COC1O2
Butyl paraben4-hydroxybenzoic acid butyl ester7184QFOHBWFCKVYLES-UHFFFAOYSA-NCCCCOC(=O)C1=CC=C(O)C=C1
Spironolactoneethanethioic acid S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxo-7-spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]yl] ester5833LXMSZDCAJNLERA-ZHYRCANASA-NCC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC34CCC(=O)O4)C12
Oxalateoxalate71081MUBZPKHOEPUJKR-UHFFFAOYSA-LO=C([O-])C(=O)[O-]
5-O-caffeoylquinic acid(1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid5280633CWVRJTMFETXNAD-NXLLHMKUSA-NO=C(C=CC1=CC=C(O)C(O)=C1)OC1CC(O)(C(=O)O)CC(O)C1O
caffeoyl-o-quinone3-(3,4-dioxo-1-cyclohexa-1,5-dienyl)propanoic acid13760329AEFCXEUJWYQCLS-UHFFFAOYSA-NO=C(O)CCC1=CC(=O)C(=O)C=C1
Formononetin7-hydroxy-3-(4-methoxyphenyl)-1-benzopyran-4-one5280378HKQYGTCOTHHOMP-UHFFFAOYSA-NCOC1=CC=C(C2=COC3=CC(O)=CC=C3C2=O)C=C1
Coumaroyl quinic acid1,3,5-trihydroxy-4-[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]-1-cyclohexanecarboxylic acid6124211XWRHBGVVCOSNKO-ZZXKWVIFSA-NO=C(C=CC1=CC=C(O)C=C1)OC1C(O)CC(O)(C(=O)O)CC1O
p-coumaric acid(E)-3-(4-hydroxyphenyl)-2-propenoic acid637542NGSWKAQJJWESNS-ZZXKWVIFSA-NO=C(O)C=CC1=CC=C(O)C=C1
Dihydrocaffeic acid3-(3,4-dihydroxyphenyl)propanoic acid348154DZAUWHJDUNRCTF-UHFFFAOYSA-NO=C(O)CCC1=CC=C(O)C(O)=C1
3-(3'-Hydroxyphenyl)propanoic acid3-(3-hydroxyphenyl)propanoic acid91QVWAEZJXDYOKEH-UHFFFAOYSA-NO=C(O)CCC1=CC=CC(O)=C1
Sudan I1-phenyldiazenyl-2-naphthalenol13297MRQIXHXHHPWVIL-UHFFFAOYSA-NOC1=CC=C2C=CC=CC2=C1N=NC1=CC=CC=C1
Eltrombopag3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]azo]-2-hydroxyphenyl]benzoic acid135449332SVOQIEJWJCQGDQ-UHFFFAOYSA-NCC1=CC=C(N2[NH]C(C)=C(N=NC3=CC=CC(C4=CC=CC(C(=O)O)=C4)=C3O)C2=O)C=C1C
Ginsenoside Rf(2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol441922UZIOUZHBUYLDHW-XUBRWZAZSA-NCC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)CC12C
Sudan II1-(2,4-dimethylphenyl)azo-2-naphthalenol18386JBTHDAVBDKKSRW-UHFFFAOYSA-NCC1=CC=C(N=NC2=C(O)C=CC3=CC=CC=C23)C(C)=C1
Sudan III1-(4-phenyldiazenylphenyl)azo-2-naphthalenol62331FHNINJWBTRXEBC-UHFFFAOYSA-NOC1=CC=C2C=CC=CC2=C1N=NC1=CC=C(N=NC2=CC=CC=C2)C=C1
CarisoprodolN-propan-2-ylcarbamic acid [2-(carbamoyloxymethyl)-2-methylpentyl] ester2576OFZCIYFFPZCNJE-UHFFFAOYSA-NCCCC(C)(COC(N)=O)COC(=O)NC(C)C
Ginsenoside Rg1(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol441923YURJSTAIMNSZAE-HHNZYBFYSA-NCC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C
Sudan IV1-[2-methyl-4-(2-methylphenyl)azophenyl]azo-2-naphthalenol62330RCTGMCJBQGBLKT-UHFFFAOYSA-NCC1=CC=CC=C1N=NC1=CC=C(N=NC2=C(O)C=CC3=CC=CC=C23)C(C)=C1
Ginsenoside Rc(2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-[[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxymethyl]-3,4,5-trihydroxy-2-oxanyl]oxy]-6-methylhept-5-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol12855889JDCPEKQWFDWQLI-LUQKBWBOSA-NCC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C
Para Red1-(4-nitrophenyl)azo-2-naphthalenol22917WOTPFVNWMLFMFW-UHFFFAOYSA-NO=[N+]([O-])C1=CC=C(N=NC2=C(O)C=CC3=CC=CC=C23)C=C1
Ginsenoside Rb2(2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxy-2-oxanyl]oxymethyl]-2-oxanyl]oxy]hept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol6917976NODILNFGTFIURN-GZPRDHCNSA-NCC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C
Ginsenoside Rg3(2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol9918693RWXIFXNRCLMQCD-JBVRGBGGSA-NCC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C
Allura Red ACdisodium;6-hydroxy-5-(2-methoxy-5-methyl-4-sulfonatophenyl)azo-2-naphthalenesulfonate33258CEZCCHQBSQPRMU-UHFFFAOYSA-LCOC1=CC(S(=O)(=O)[O-])=C(C)C=C1N=NC1=C(O)C=CC2=CC(S(=O)(=O)[O-])=CC=C12.[Na+].[Na+]
Sunset Yellowdisodium;6-hydroxy-5-(4-sulfonatophenyl)azo-2-naphthalenesulfonate17730OIQPTROHQCGFEF-UHFFFAOYSA-LO=S(=O)([O-])C1=CC=C(N=NC2=C(O)C=CC3=CC(S(=O)(=O)[O-])=CC=C23)C=C1.[Na+].[Na+]
Acecainide4-acetamido-N-[2-(diethylamino)ethyl]benzamide4342KEECCEWTUVWFCV-UHFFFAOYSA-NCCN(CC)CCNC(=O)C1=CC=C(NC(C)=O)C=C1
Ginsenoside Rb1(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxy-2-oxanyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol9898279GZYPWOGIYAIIPV-JBDTYSNRSA-NCC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C
Diltiazemacetic acid [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester39186HSUGRBWQSSZJOP-RTWAWAEBSA-NCOC1=CC=C(C2SC3=CC=CC=C3N(CCN(C)C)C(=O)C2OC(C)=O)C=C1
7-(4-Hydroxy-3-nitrobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione7-[(4-hydroxy-3-nitrophenyl)methyl]-1,3-dimethylpurine-2,6-dione355503LLWMYLUVPAFKNJ-UHFFFAOYSA-NCN1C(=O)C2=C(N=CN2CC2=CC=C(O)C([N+](=O)[O-])=C2)N(C)C1=O
Nabumetone4-(6-methoxy-2-naphthalenyl)-2-butanone4409BLXXJMDCKKHMKV-UHFFFAOYSA-NCOC1=CC=C2C=C(CCC(C)=O)C=CC2=C1
Secoisolariciresinol(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,4-diol65373PUETUDUXMCLALY-HOTGVXAUSA-NCOC1=CC(CC(CO)C(CO)CC2=CC=C(O)C(OC)=C2)=CC=C1O
Xanthohumol(E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one639665ORXQGKIUCDPEAJ-YRNVUSSQSA-NCOC1=CC(O)=C(CC=C(C)C)C(O)=C1C(=O)C=CC1=CC=C(O)C=C1
Alprenolol1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)-2-propanol2119PAZJSJFMUHDSTF-UHFFFAOYSA-NC=CCC1=CC=CC=C1OCC(O)CNC(C)C
Thunalbene3-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methoxyphenol25756094VANIIUGEHGLNHB-AATRIKPKSA-NCOC1=CC(O)=CC(C=CC2=CC=CC(O)=C2)=C1
O-Desmethyldiltiazemacetic acid [5-[2-(dimethylamino)ethyl]-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester13100707ALISTFINEQANJP-UHFFFAOYSA-NCC(=O)OC1C(=O)N(CCN(C)C)C2=CC=CC=C2SC1C1=CC=C(O)C=C1
Demethoxycurcumin(1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione5469424HJTVQHVGMGKONQ-LUZURFALSA-NCOC1=CC(C=CC(=O)CC(=O)C=CC2=CC=C(O)C=C2)=CC=C1O
Gemcitabine4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-pyrimidinone60750SDUQYLNIPVEERB-QPPQHZFASA-NNC1=NC(=O)N(C2OC(CO)C(O)C2(F)F)C=C1
Bis-demethoxycurcumin(1E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione5315472PREBVFJICNPEKM-YDWXAUTNSA-NO=C(C=CC1=CC=C(O)C=C1)CC(=O)C=CC1=CC=C(O)C=C1
Dantrolene1-[(E)-[5-(4-nitrophenyl)-2-furanyl]methylideneamino]imidazolidine-2,4-dione6914273OZOMQRBLCMDCEG-VIZOYTHASA-NO=C1CN(N=CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)O2)C(=O)N1
Isoflavone3-phenyl-1-benzopyran-4-one72304GOMNOOKGLZYEJT-UHFFFAOYSA-NO=C1C(C2=CC=CC=C2)=COC2=CC=CC=C12
Oxypyrrolnitrin4-chloro-2-(4-chloro-1H-pyrrol-3-yl)-3-nitrophenol53439920HCTYUKFXOOTSDB-UHFFFAOYSA-NO=[N+]([O-])C1=C(Cl)C=CC(O)=C1C1=C[NH]C=C1Cl
tartrazinetrisodium;5-oxo-1-(4-sulfonatophenyl)-4-(4-sulfonatophenyl)azo-4H-pyrazole-3-carboxylate164825UJMBCXLDXJUMFB-UHFFFAOYSA-KO=C([O-])C1=NN(C2=CC=C(S(=O)(=O)[O-])C=C2)C(=O)C1N=NC1=CC=C(S(=O)(=O)[O-])C=C1.[Na+].[Na+].[Na+]
Methyl Red2-[4-(dimethylamino)phenyl]azobenzoic acid10303CEQFOVLGLXCDCX-UHFFFAOYSA-NCN(C)C1=CC=C(N=NC2=CC=CC=C2C(=O)O)C=C1
Methyl Orangesodium;4-[4-(dimethylamino)phenyl]azobenzenesulfonate23673835STZCRXQWRGQSJD-UHFFFAOYSA-MCN(C)C1=CC=C(N=NC2=CC=C(S(=O)(=O)[O-])C=C2)C=C1.[Na+]
Ponceau BSdisodium;2-[(2-hydroxy-1-naphthalenyl)azo]-5-(4-sulfonatophenyl)azobenzenesulfonate20170VVAVKBBTPWYADW-UHFFFAOYSA-LO=S(=O)([O-])C1=CC=C(N=NC2=CC=C(N=NC3=C(O)C=CC4=CC=CC=C34)C(S(=O)(=O)[O-])=C2)C=C1.[Na+].[Na+]
Ponceau Stetrasodium;3-hydroxy-4-[2-sulfonato-4-(4-sulfonatophenyl)azophenyl]azonaphthalene-2,7-disulfonate2723873KQHKSGRIBYJYFX-UHFFFAOYSA-JO=S(=O)([O-])C1=CC=C(N=NC2=CC=C(N=NC3=C(O)C(S(=O)(=O)[O-])=CC4=CC(S(=O)(=O)[O-])=CC=C34)C(S(=O)(=O)[O-])=C2)C=C1.[Na+].[Na+].[Na+].[Na+]
Trypan Bluetetrasodium;5-amino-3-[4-[4-[(8-amino-1-hydroxy-3,6-disulfonato-2-naphthalenyl)azo]-3-methylphenyl]-2-methylphenyl]azo-4-hydroxynaphthalene-2,7-disulfonate6296GLNADSQYFUSGOU-UHFFFAOYSA-JCC1=CC(C2=CC=C(N=NC3=C(S(=O)(=O)[O-])C=C4C=C(S(=O)(=O)[O-])C=C(N)C4=C3O)C(C)=C2)=CC=C1N=NC1=C(S(=O)(=O)[O-])C=C2C=C(S(=O)(=O)[O-])C=C(N)C2=C1O.[Na+].[Na+].[Na+].[Na+]
8-Prenylnaringenin(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-1-benzopyran-4-one480764LPEPZZAVFJPLNZ-SFHVURJKSA-NCC(C)=CCC1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C=C1)CC2=O
Direct Blue 15tetrasodium;5-amino-3-[4-[4-[(8-amino-1-hydroxy-3,6-disulfonato-2-naphthalenyl)azo]-3-methoxyphenyl]-2-methoxyphenyl]azo-4-hydroxynaphthalene-2,7-disulfonate17059OLSOUGWNONTDCK-UHFFFAOYSA-JCOC1=CC(C2=CC=C(N=NC3=C(S(=O)(=O)[O-])C=C4C=C(S(=O)(=O)[O-])C=C(N)C4=C3O)C(OC)=C2)=CC=C1N=NC1=C(S(=O)(=O)[O-])C=C2C=C(S(=O)(=O)[O-])C=C(N)C2=C1O.[Na+].[Na+].[Na+].[Na+]
Eriochrome Black Tsodium;3-hydroxy-4-[(1-hydroxy-2-naphthalenyl)azo]-7-nitro-1-naphthalenesulfonate135465089AMMWFYKTZVIRFN-UHFFFAOYSA-MO=[N+]([O-])C1=CC=C2C(N=NC3=CC=C4C=CC=CC4=C3O)=C(O)C=C(S(=O)(=O)[O-])C2=C1.[Na+]
Congo Reddisodium;4-amino-3-[4-[4-[(1-amino-4-sulfonato-2-naphthalenyl)azo]phenyl]phenyl]azo-1-naphthalenesulfonate11313IQFVPQOLBLOTPF-UHFFFAOYSA-LNC1=C(N=NC2=CC=C(C3=CC=C(N=NC4=CC(S(=O)(=O)[O-])=C5C=CC=CC5=C4N)C=C3)C=C2)C=C(S(=O)(=O)[O-])C2=CC=CC=C12.[Na+].[Na+]
Cibacron Brilliant Red5-benzamido-3-[5-[[4-chloro-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo-4-hydroxynaphthalene-2,7-disulfonic acid72236ZWONWYNZSWOYQC-UHFFFAOYSA-NO=C(NC1=CC(S(=O)(=O)O)=CC2=CC(S(=O)(=O)O)=C(N=NC3=CC(NC4=NC(Cl)=NC(NC5=CC=C(S(=O)(=O)O)C=C5)=N4)=CC=C3S(=O)(=O)O)C(O)=C12)C1=CC=CC=C1
Artemisinin(1R,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one68827BLUAFEHZUWYNDE-NNWCWBAJSA-NCC1CCC2C(C)C(=O)OC3OC4(C)CCC1C32OO4
5,7-Dimethoxyflavone5,7-dimethoxy-2-phenyl-1-benzopyran-4-one88881JRFZSUMZAUHNSL-UHFFFAOYSA-NCOC1=CC(OC)=C2C(=O)C=C(C3=CC=CC=C3)OC2=C1
Ellagic acid6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione5281855AFSDNFLWKVMVRB-UHFFFAOYSA-NO=C1OC2=C(O)C(O)=CC3=C2C2=C(OC3=O)C(O)=C(O)C=C12
Ramipril(2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid5362129HDACQVRGBOVJII-JBDAPHQKSA-NCCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N1C(C(=O)O)CC2CCCC21
Enalapril(2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid5388962GBXSMTUPTTWBMN-XIRDDKMYSA-NCCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N1CCCC1C(=O)O
SuIindac2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1-indenyl]acetic acid1548887MLKXDPUZXIRXEP-MFOYZWKCSA-NCC1=C(CC(=O)O)C2=CC(F)=CC=C2C1=CC1=CC=C(S(C)=O)C=C1
Baicalein5,6,7-trihydroxy-2-phenyl-1-benzopyran-4-one5281605FXNFHKRTJBSTCS-UHFFFAOYSA-NO=C1C=C(C2=CC=CC=C2)OC2=CC(O)=C(O)C(O)=C12
Glycitin3-(4-hydroxyphenyl)-6-methoxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one187808OZBAVEKZGSOMOJ-MIUGBVLSSA-NCOC1=CC2=C(C=C1OC1OC(CO)C(O)C(O)C1O)OC=C(C1=CC=C(O)C=C1)C2=O
Morphine-6-glucuronide(2S,3S,4S,5R,6R)-6-[[(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid5360621GNJCUHZOSOYIEC-GAROZEBRSA-NCN1CCC23C4=C5C=CC(O)=C4OC2C(OC2OC(C(=O)O)C(O)C(O)C2O)C=CC3C1C5
Pedunculagin(1R,2S,19R,22R)-7,8,9,12,13,14,20,28,29,30,33,34,35-tridecahydroxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaene-4,17,25,38-tetrone442688IYMHVUYNBVWXKH-ZITZVVOASA-NO=C1OCC2OC(O)C3OC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(C=C(O)C(O)=C4O)C(=O)OC3C2OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C1C=C(O)C(O)=C2O
Benzbromarone(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-3-benzofuranyl)methanone2333WHQCHUCQKNIQEC-UHFFFAOYSA-NCCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=CC=CC=C2O1
2-Chloro-5-nitro-N-phenylbenzamide2-chloro-5-nitro-N-phenylbenzamide644213DNTSIBUQMRRYIU-UHFFFAOYSA-NO=C(NC1=CC=CC=C1)C1=CC([N+](=O)[O-])=CC=C1Cl
Coriariin B2-[5-[[3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,12-bis[oxo-(3,4,5-trihydroxyphenyl)methoxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl]oxy-oxomethyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoic acid16130319JYGFZLCXGAQJNW-UHFFFAOYSA-NO=C(OC1OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OC2C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(OC2=C(C(=O)O)C=C(O)C(O)=C2O)=C1
Castalagin7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-hexadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone168165UDYKDZHZAKSYCO-UHFFFAOYSA-NO=C1OCC2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C4=C3C(=O)OC(C2OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C1C=C(O)C(O)=C2O)C1OC(=O)C2=C4C(O)=C(O)C(O)=C2C1O
Stachyurin3,4,5-trihydroxybenzoic acid [10-(2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] ester157395MMQXBTULXAEKQE-UHFFFAOYSA-NO=C(OC1COC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)C(=O)OC1C1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(O)C(O)=C(O)C3=C2C(=O)OC1C3O)C1=CC(O)=C(O)C(O)=C1
Stenophyllanin A3,4,5-trihydroxybenzoic acid [(10R,11R)-10-[(15S,19S)-19-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] ester101651021MRRHAYNXHYEUOD-KJJOKTLFSA-NO=C(OC1COC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)C(=O)OC1C1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(O)C(O)=C(O)C3=C2C(=O)OC1C3C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2)C1=CC(O)=C(O)C(O)=C1
Salicarinin A3,4,5-trihydroxy-2-[[(1R,2R,20R,42S,46S)-8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-pentadecahydroxy-4,17,22,40,44-pentaoxo-41,43-dioxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaen-7-yl]oxy]benzoic acid [(10R,11R)-10-[(14R,15S,19S)-2,3,4,7,8,9,19-heptahydroxy-17-oxo-16-oxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] ester132526732ZKFUIZTZBPNHJJ-FZEBOQCJSA-NO=C(OC1COC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)C(=O)OC1C1CCC2=CC(O)=C(O)C(O)=C2C2=C(O)C(O)=C(O)C3=C2C(=O)OC1C3O)C1=CC(O)=C(O)C(O)=C1OC1=CC2=C(C(O)=C1O)C1=C(C=C(O)C(O)=C1O)C(=O)CCC1CC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C4=C3C(=O)OC(C1CC2=O)C1OC(=O)C2=C4C(O)=C(O)C(O)=C2C1O
Agrimoniin2-[5-[[(1R,2S,19R,20R,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl]oxy-oxomethyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoic acid [(1R,2S,19R,20R,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl] ester16129621BZAFROBDXRJYTQ-JVEQELPQSA-NO=C(OC1OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OC2C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OC12)C1=CC(O)=C(O)C(OC2=C(O)C(O)=C(O)C=C2C(=O)OC2OC3COC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(C=C(O)C(O)=C4O)C(=O)OC3C3OC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(C=C(O)C(O)=C4O)C(=O)OC23)=C1
Oenothein B3,4,5-trihydroxybenzoic acid [4,5,6,12,20,21,22,25,26,30,31,32,38,46,47,48,51,52-octadecahydroxy-9,17,35,43,55,61-hexaoxo-64-[oxo-(3,4,5-trihydroxyphenyl)methoxy]-2,10,13,16,28,36,39,42,56,62-decaoxaundecacyclo[35.15.6.514,27.111,15.03,8.018,23.029,34.040,57.044,49.050,54.024,60]tetrahexaconta-1(52),3,5,7,18,20,22,24,26,29,31,33,44,46,48,50,53,59-octadecaen-58-yl] ester16129800YSLFLCIPPPJEHH-UHFFFAOYSA-NO=C(OC1C2OC(=O)C3=CC(O)=C(O)C(O)=C3OC3=CC4=C(C(O)=C3O)C3=C(C=C(O)C(O)=C3O)C(=O)OCC3OC(O)C(OC(=O)C5=CC(O)=C(O)C(O)=C5OC5=CC6=C(C(O)=C5O)C5=C(C=C(O)C(O)=C5O)C(=O)OC1C(COC6=O)OC2O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C3OC4=O)C1=CC(O)=C(O)C(O)=C1
Potentillin3,4,5-trihydroxybenzoic acid [(1R,2S,19R,20R,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl] ester5315734SWRFKGRMQVLMKA-MCUYVTBYSA-NO=C(OC1OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OC2C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OC12)C1=CC(O)=C(O)C(O)=C1
Stenophyllinin A3,4,5-trihydroxybenzoic acid [10-[(9R)-9-(3,4-dihydroxyphenyl)-5,8,20,21,22,25-hexahydroxy-17,26,28-trioxo-2,10,16,29-tetraoxaheptacyclo[12.12.3.01,13.03,12.06,11.018,23.024,27]nonacosa-3(12),4,6(11),18,20,22,24-heptaen-15-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] ester100945368FWLIWQBWHQWYFE-NYKAFEJXSA-NO=C(OC1COC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)C(=O)OC1C1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(O)C(=O)C34OC5=CC(O)=C6CC(O)C(C7=CC=C(O)C(O)=C7)OC6=C5C3C1OC(=O)C24)C1=CC(O)=C(O)C(O)=C1