ࡱ>    @\pChemistry Department Ba==x<X/!8X@"1Arial1Arial1Arial1Arial1Arial1Arial""#,##0;\-""#,##0""#,##0;[Red]\-""#,##0""#,##0.00;\-""#,##0.00#""#,##0.00;[Red]\-""#,##0.005*0_-""* #,##0_-;\-""* #,##0_-;_-""* "-"_-;_-@_-,)'_-* #,##0_-;\-* #,##0_-;_-* "-"_-;_-@_-=,8_-""* #,##0.00_-;\-""* #,##0.00_-;_-""* "-"??_-;_-@_-4+/_-* #,##0.00_-;\-* #,##0.00_-;_-* "-"??_-;_-@_-"$"#,##0_);\("$"#,##0\)!"$"#,##0_);[Red]\("$"#,##0\)""$"#,##0.00_);\("$"#,##0.00\)'""$"#,##0.00_);[Red]\("$"#,##0.00\)72_("$"* #,##0_);_("$"* \(#,##0\);_("$"* "-"_);_(@_).)_(* #,##0_);_(* \(#,##0\);_(* "-"_);_(@_)?:_("$"* #,##0.00_);_("$"* \(#,##0.00\);_("$"* "-"??_);_(@_)61_(* #,##0.00_);_(* \(#,##0.00\);_(* "-"??_);_(@_) 0.0000                + ) , *     H) "  @)   "X "\ !X) "\) "\ !X/  L/  L !X+  L+ "\+  H !X  L !X) ! !X !\) !\/ !\+ !\ ! "X "\/ "\ "t !  @ "\ "P "T "T  L `4general-compounds-440Ks drugs-237 V(vdW)-ABC, =NNc1ncnc2n(CCOCP(=O)(O)O)cnc12 C25H43N1O18acarboseNCC2OC(OC1C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C(O)C1O)C(O)C(O)C2NC3C=C(CO)C(O)C(O)C3O C29H44O12ouabainMCC6OC(OC4CC(O)C3(CO)C2C(O)CC1(C)C(CCC1(O)C2CCC3(O)C4)C5=CC(=O)OC5)C(O)C(O)C6O C18H36N4O11 kanamycin9NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O C12H22O11 lactulose'OCC1OC(O)(CO)C(O)C1OC2OC(CO)C(O)C(O)C2O C19H18CL1N3O3 camazepam.CN(C)C(=O)OC1N=C(c2ccccc2)c3cc(Cl)ccc3N(C)C1=O C19H16CL1N1O4 indomethacin.COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)O)c2c1C21H28O2levonorgestrel(CCC34CCC1C(CCC2=CC(=O)CCC12)C3CCC4(O)C#C tenoxicam(CN2C(=C(O)c1sccc1S2(=O)=O)C(=O)Nc3ccccn3C7H8N4O2 theophyllineCn1c(=O)n(C)c2nc[nH]c2c1=O C27H30N4O1 oxatomide2O=c1[nH]c2ccccc2n1CCCN3CCN(CC3)C(c4ccccc4)c5ccccc5C18H22N2 desipramineCNCCCN1c2ccccc2CCc3ccccc13 C14H10CL2O3 fenclofenacOC(=O)Cc1ccccc1Oc2ccc(Cl)cc2ClC19H24N2 imipramineCN(C)CCCN1c2ccccc2CCc3ccccc13 C16H12CL2N2O2 lormetazepam(CN1C(=O)C(O)N=C(c2ccccc2Cl)c3cc(Cl)ccc13 C14H11CL2N1O2 diclofenacOC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl C18H24N4O1 granisetron&CN1C2CCCC1CC(C2)NC(=O)c3nn(C)c4ccccc34C19H28O2 testosterone#CC12CCC3C(CCC4=CC(=O)CCC34C)C2CCC1O C8H10N4O2caffeineCn1cnc2n(C)c(=O)n(C)c(=O)c12C21H30O4corticosterone,CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C2CCC1C(=O)COC20H24O2ethinylestradiol%CC12CCC3C(CCc4cc(O)ccc34)C2CCC1(O)C#C C14H13N3O5S1isoxicam+CN2C(=C(O)c1ccccc1S2(=O)=O)C(=O)Nc3cc(C)on3C13H10CL1N3O4S2 lornoxicam,CN2C(=C(O)c1sc(Cl)cc1S2(=O)=O)C(=O)Nc3ccccn3 C18H19N3O1 ondansetron!Cc1nccn1CC2CCc3c(C2=O)c4ccccc4n3C C15H13N3O4S1 piroxicam)CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3ccccn3 C27H38N2O4 verapamil4COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OCC21H30O2 progesterone(CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C C10H12N2O4 stavudineV(vdW)-ABC(Eq.4) Cc2cn(C1OC(CO)C=C1)c(=O)[nH]c2=O C26H28CL1N1O1 toremifene-CN(C)CCOc1ccc(cc1)C(=C(CCCl)c2ccccc2)c3ccccc3 C24H29CL1O4cyproterone acetate9CC(=O)OC4(CCC5C3C=C(Cl)C2=CC(=O)C1CC1C2(C)C3CCC45C)C(C)=O C19H24N2O2 praziquantel%O=C1CN(CC2N1CCc3ccccc23)C(=O)C4CCCCC4C22H30O5 cicaprost-CCC#CCC(C)C(O)C#CC1C(O)CC2CC(CC12)=CCOCC(O)=O C13H17N3O1 aminopyrineCN(C)c1c(C)n(C)n(c2ccccc2)c1=O C15H11CL1N2O1 nordiazepam Clc1ccc2NC(=O)CN=C(c3ccccc3)c2c1 C23H22N2O6S1 carfecillin:CC1(C)SC2C(NC(=O)C(C(=O)Oc3ccccc3)c4ccccc4)C(=O)N2C1C(=O)OC21H28O5 prednisolone0CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C2CCC1(O)C(=O)CO C16H21N1O2 propranololCC(C)NCC(O)COc1cccc2ccccc12 C13H19N1O3 viloxazineCCOc1ccccc1OCC2CNCCO2C19H16O4warfarin%CC(=O)CC(c1ccccc1)c2c(O)c3ccccc3oc2=O C17H23N1O3atropine"CN1C2CC(CC1CC2)OC(=O)C(CO)c4ccccc4 C9H15N5O1 minoxidilNc1cc(nc(N)n1=O)N2CCCCC2 C12H15CL1O3 clofibrateCCOC(=O)C(C)(C)Oc1ccc(Cl)cc1 C14H18N4O3 trimethoprimCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC C17H27N1O2 venlafaxine COc1ccc(cc1)C(CN(C)C)C2(O)CCCCC2 C11H12N2O1 C17H20N2O5S1 bumetanide*CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)OC10H15N5trapidilCCN(CC)c1cc(C)nc2ncnn12 C13H12F2N6O1 fluconazole"OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F C12H20N2O3S1sotalol CC(C)NCC(O)c1ccc(NS(=O)(=O)C)cc1 C18H21N1O3codeine#COc1ccc2CC3C4C=CC(O)C5Oc1c2C54CCN3C C15H14F1N3O3 flumazenil&CCOC(=O)c1ncn2c1CN(C)C(=O)c3cc(F)ccc32C13H18O2 ibuprofenCC(C)Cc1ccc(cc1)C(C)C(=O)O C19H24N2O3 labetalol'CC(CCc1ccccc1)NCC(O)c2ccc(O)c(c2)C(=O)N C15H23N1O3 oxprenololCC(C)NCC(O)COc1ccccc1OCC=C C14H22N2O3 practololCC(C)NCC(O)COc1ccc(NC(=O)C)cc1 C13H24N4O3S1timololCHNOClBrFISPSmilesNamesBC3H6O2 CCC(O)=O(PROPIONICACID C2H4O2 CC(O)=O(Acetic Acid C4H8O2 CCCC(O)=O(BUTYRICACID C4H10O CCCCO(BUTANOL C7H16O CCCCCCCO(HEPTANOL C8H18O CCCCCCCCO(OCTANOL C5H12O CCCCCO(PENTANOL CCC(C)O(S-BUTANOL C3H8O CC(C)O(ISOPROPYL ALCOHOL C6H12O OC1CCCCC1(CYCLOHEXANOL AsC2H6O CCO(ETHANOL SeC2H6O2 OCCO(ETHANE-1,2-DIOL SiCH4O CO(METHANOL C3H6O OCC=C(ALLYLALCOHOL CCCO(PROPANOL C4H10 CCCC(BUTANE C6H12 C1CCCCC1(CYCLOHEXANE C8H16 C1CCCCCCC1(CYCLOOCTANE C5H10 C1CCCC1(CYCLOPENTANE C3H6 C1CC1(CYCLOPROPANE C2H6 CC(ETHANE C6H14 CCCCCC(HEXANE CC1CCCC1(METHYLCYCLOPENTANE CH4 (METHANE C5H12 CCC(C)C(ISOPENTANE C8H18 CCCCCCCC(OCTANE CCCCC(PENTANE C3H8 CCC(PROPANE C4H8 C\C=C/C(2-BUTENE-CIS CC=CCCC=C(C)C(TRIMETHYLETHYLENE C4H6 C=CC=C(1,3-BUTADIENE CCC=C(1-BUTENE C6H10 C1CCC=CC1(CYCLOHEXENE C5H8 C1CC=CC1(CYCLOPENTENE C2H3Cl ClC=C.chloroETHYLENE CCCCC=C(1-HEXENE C7H12 CC1=CCCCC1(1-METHYLCYCLOHEXENE CCCCCCC=C(1-OCTENE C=CCC=C(1,4-PENTADIENE CCCC=C(1-PENTENE C3H4 C=C=C(ALLENE CC=C(PROPYLENE CC#CC(2-BUTYNE CCC#C(1-BUTYNE C2H2 C#C(ACETYLENE CCCCC#C(1-HEXYNE C8H14 CCCCCCC#C(1-OCTYNE CCCC#C(1-PENTYNE CC#C(METHYLACETYLENE C2H5NO CC(=O)N(ACETAMIDE C4H9NO CN(C)C(=O)C(N,N-DIMETHYLACETAMIDE C3H7NO CN(C)C=O(DIMETHYLFORMAMIDE CH3NO NC=O(FORMAMIDE CNC(=O)C(N-METHYLACETAMIDE C8H19N CCCCNCCCC(DIBUTYLAMINE C4H11N CCCCN(1-BUTYLAMINE C2H8N2 NCCN(ETHYLENE DIAMINE CCNCC(DIETHYLAMINE C6H15N CCN(CC)CC(TRIETHYLAMINE C2H7N CCN(ETHYLAMINE CCCCCCN(HEXYLAMINE C3H9N CC(C)N(I-PROPYLAMINE CNC(DIMETHYLAMINE CN(C)C(TRIMETHYLAMINE CH5N CN(METHYLAMINE C6H13N CN1CCCCC1(N-METHYLPIPERIDINE C4H10N2 C1CNCCN1(PIPERAZINE C5H11N C1CCNCC1(PIPERIDINE CCCNCCC(DIPROPYLAMINE < CCCN(PROPYLAMINE C4H9N C1CCNC1(PYRROLIDINE C8H8O CC(=O)c1ccccc1(ACETOPHENONE C14H10 c3ccc2cc1ccccc1cc2c3(ANTHRACENE C6H6 c1ccccc1(BENZENE C13H10O O=C(c1ccccc1)c2ccccc2(BENZOPHENONE C7H8O OCc1ccccc1(BENZYLALCOHOL C12H10 c1ccc(cc1)c2ccccc2(BIPHENYL C8H10 CCc1ccccc1(ETHYLBENZENE C4H4O c1ccoc1(FURAN C7H6O2 Oc1cccc(C=O)c1(M-HYDROXYBENZALDEHYDE Cc1cccc(C)c1(M-XYLENE C10H8 c2ccc1ccccc1c2(NAPHTHALENE Cc1ccccc1O(O-METHYLPHENOL Cc1ccccc1C(O-XYLENE Cc1ccc(O)cc1(P-METHYLPHENOL Oc1ccc(C=O)cc1(P-HYDROXYBENZALDEHYDE Cc1ccc(C)cc1(P-XYLENE C13H12 C(c1ccccc1)c2ccccc2(DIPHENYLMETHANE C7H6O O=Cc1ccccc1(BENZALDEHYDE OC(=O)c1ccccc1(BENZOICACID C6H6O Oc1ccccc1(PHENOL C8H8 C=Cc1ccccc1(STYRENE C10H14O CC(C)(C)c1ccc(O)cc1(P-T-BUTYLPHENOL C7H8 Cc1ccccc1(TOLUENE C6H7N Nc1ccccc1(ANILINE C7H9N NCc1ccccc1(BENZYLAMINE C9H7N c2ccc1ncccc1c2(QUINOLINE C3H4N2 c1c[nH]cn1(IMIDAZOLE Cc1cccnc1(3-METHYLPYRIDINE Cc1cccc(C)n1(2,6-LUTIDINE C5H6N2 Cc1cnccn1(2-METHYLPYRAZINE C9H9N1 Cc1c[nH]c2ccccc12(3-METHYLINDOLE Cc1ccccn1(2-PICOLINE Cc1ccncc1(4-METHYLPYRIDINE C4H4N2 c1cnccn1(PYRAZINE c1ccnnc1(PYRIDAZINE C5H5N c1ccncc1(PYRIDINE c1cncnc1(PYRIMIDINE C4H5N c1cc[nH]c1(PYRROLE C7H14O CCCCCC(C)=O(2-HEPTANONE C8H16O CCCCCCC(C)=O(2-OCTANONE C5H10O CCCC(C)=O(2-PENTANONE CCC(=O)CC(3-PENTANONE C2H4O CC=O(ACETALDEHYDE C3H4O C=CC=O(PROPENAL C4H8O CCCC=O(BUTYRALDEHYDE CCC(C)=O(2-BUTANONE CH2O C=O(FORMALDEHYDE C6H4O2 O=C1C=CC(=O)C=C1(QUINONE C6H10O O=C1CCCCC1(CYCLOHEXANONE CCCCCC=O(HEXALDEHYDE CC(C)C(C)=O(2-BUTANONE,3-METHYL CCCCCCCC=O(OCTANAL CCC=O(PROPIONALDEHYDE CC(C)=O(ACETONE CCOC=O(ETHYLFORMATE COC=O(METHYLFORMATE C1COCCO1(DIOXANE C1COCO1(1,3-DIOXOLANE CCOCC(ETHYLETHER C6H14O CC(C)OC(C)C(DI-I-PROPYLETHER CCCOC(METHYLPROPYLETHER COC(C)(C)C(METHYL-T-BUTYLETHER COC(DIMETHYLETHER C3H8O2 COCCO(METHOXYETHANOL CCCOCCC(DIPROPYLETHER C1CCOC1(TETRAHYDROFURAN C1CCOCC1(TETRAHYDROPYRAN C6H4ClBr c1cc(Br)ccc1Cl(4-BROMO-CHLOROBENZENE C2H5Br CCBr(ETHYLBROMIDE C7H15Br CCCCCCCBr(1-BROMOHEPTANE C6H13Br CCCCCCBr(1-BROMOHEXANE C4H9Br CC(C)(Br)C(2-BROMO-2-METHYLPROPANE C6H4NO2Br Brc1ccccc1N(=O)=O(O-BROMONITROBENZENE C8H17Br CCCCCCCCBr(1-BROMOOCTANE C5H11Br CCCCCBr(1-BROMOPENTANE C3H7Br CC(C)Br(2-PROMOPROPANE C6H5OBr Oc1ccc(Br)cc1(P-BROMOPHENOL C4H9Cl CCCCCl(1-CHLOROBUTANE C2H3OF3 OCC(F)(F)F(2,2,2-TRIFLUOROETHANOL CH2Br2 BrCBr(DIBROMOMETHANE CH2Cl2 ClCCl(METHYLENECHLORIDE CH2ClI ICCl(CHLOROIODOMETHANE CH3Br CBr(METHYLBROMIDE C4H9I CCCCI(1-IODOBUTANE C3H7I CCCI(1-IODOPROPANE CH3Cl CCl(METHYLCHLORIDE CH3I CI(METHYLIODIDE C2H2Cl2 ClC=CCl(CIS-1,2-DICHLORETHYLENE CH2ClBr ClCBr(BROMOCHLOROMETHANE CHF2Cl FC(F)Cl(CHLORODIFLUOROMETHANE C2H3F2Cl CCCl(F)(F)(1-CHLORO-1,1-DIFLUOROETHANE CH2FCl FCCl(CHLOROFLUOROMETHANE C6H4Br2 c1cc(Br)ccc1Br)1,4-DIBROMOBENZENE C2H4Br2 BrCCBr(1,2-DIBROMOETHANE C2H2Br2 BrC=CBr(1,2-DIBROMO-ETHYLENE, 1,2-CIS C3H6Br2 CC(Br)CBr(1,2-DIBROMOPROPANE CHFCl2 FC(Cl)Cl(DICHLOROFLUOROMETHANE CH2I2 ICI(DIIODOMETHANE C2H5Cl CCCl(ETHYLCHLORIDE C2H4Cl2 CC(Cl)Cl(1,1-DICHLOROETHANE C6H5F Fc1ccccc1(FLUOROBENZENE CH3F CF(METHYLFLUORIDE ClC(Cl)=C(1,1-DICHLOROETHYLENE C6H5I Ic1ccccc1(IODOBENZENE C2H5I CCI(ETHYLIODIDE CC(C)I(2-IODOPROPANE C3H7Cl CC(C)Cl(2-CHLOROPROPANE C6H4Cl2 Clc1cccc(Cl)c1(1,3-DICHLOROBENZENE C7H7Br c1ccc(Br)cc1C(3-BROMOTOLUENE Brc1cccc(Br)c1(M-DIBROMOBENZENE Clc1ccccc1Cl(O-DICHLOROBENZENE Clc1ccc(Cl)cc1(P-DICHLOROBENZENE C5H11Cl CCCCCCl(1-CHLOROPENTANE C6H5Cl Clc1ccccc1(CHLOROBENZENE CCCCl(1-CHLOROPROPANE C6H2F4 Fc1c(F)cc(F)c(F)c1(1,2,4,5-TETRAFLUOROBENZENE Fc1c(F)c(F)cc(F)c1(1,2,3,5-TETRAFLUOROBENZENE (TRANS-1,2-DICHLOROETHENE C6H3Br3 Brc1cc(Br)cc(Br)c1(1,3,5-TRIBROMOBENZENE C7H5NO Oc1cccc(C#N)c1(M-CYANOPHENOL C2H3N < CC#N(ACETONITRILE Oc1ccc(C#N)cc1(P-CYANOPHENOL C7H5N N#Cc1ccccc1(BENZONITRILE C3H3N C=CC#N(ACRYLONITRILE C7H4N2O2 O=N(=O)c1cccc(C#N)c1(BENZENE,3-CYANO-1-NITRO C2H5NO2 CCN(=O)=O(NITROETHANE C3H7NO2 CC(C)N(=O)=O(2-NITROPROPANE C6H5NO3 Oc1cccc(c1)N(=O)=O(M-NITROPHENOL C7H7NO2 Cc1cccc(c1)N(=O)=O(M-NITROTOLUENE CH3NO2 CN(=O)=O(NITROMETHANE Cc1ccccc1N(=O)=O(O-NITROTOLUENE Oc1ccc(cc1)N(=O)=O(P-NITROPHENOL C6H5NO2 O=N(=O)c1ccccc1(NITROBENZENE CCCN(=O)=O(1-NITROPROPANE CO [C-]#[O+](CARBONMONOXIDE CO2 O=C=O(CARBONDIOXIDE H2 [H][H](HYDROGEN H2O (WATER C5H11NO CN1CCOCC1(MORPHOLINE,N-METHYL C1COCCN1(MORPHOLINE N2 [N][N](NITROGEN C4H10S CCCCS(BUTANETHIOL C2H6S CSC(DIMETHYLSULFIDE C2H6S2 CSSC(DIMETHYLDISULFIDE CS2 S=C=S(CARBONDISULFIDE CCSCC(DIETHYLSULFIDE C8H11NO2S CN(C)S(=O)(=O)c1ccccc1(N,N-DIMETHYLBENZENESULFONAMIDE C2H6O2S CS(C)(=O)=O(METHYLSULFONE C4H10S2CCSSCC(DIETHYLDISULFIDE H2S (HYDROGEN SULFIDE C5H6S Cc1ccsc1(3-METHYLTHIOPHENE O2S O=S=O(SULFUR DIOXIDE C4H4S c1ccsc1(THIOPHENE C6H6S Sc1ccccc1(THIOPHENOL C14H30 CCCCCCCCCCCCCC(TETRADECANE C11H10 Cc1cccc2ccccc12(1-METHYLNAPHTHALENE Cc2ccc1ccccc1c2(2-METHYLNAPHTHALENE C12H12 CCc1cccc2ccccc12(1-ETHYLNAPHTHALENE CCc2ccc1ccccc1c2(2-ETHYLNAPHTHALENE Cc2cc(C)c1ccccc1c2(1,3-DIMETHYLNAPHTHALENE Cc1ccc(C)c2ccccc12(1,4-DIMETHYLNAPHTHALENE Cc1cccc2c(C)cccc12(1,5-DIMETHYLNAPHTHALENE Cc2cc1ccccc1cc2C(2,3-DIMETHYLNAPHTHALENE C1Cc2cccc3cccc1c23(ACENAPHTHENE C20H12 c2ccc1cc3c(cc1c2)c4cccc5cccc3c45(BENZO[k]FLUORANTHENE C18H12 c1ccc3c(c1)ccc4c2ccccc2ccc34(CHRYSENE c1ccc3c(c1)c2ccccc2c4ccccc34(TRIPHENYLENE C12H8 c13cccc2c3c(ccc1)cc2(ACENAPHTHYLENE C16H10 c1cc2ccc3cccc4ccc(c1)c2c34(PYRENE "c1cc2cccc3c4cccc5cccc(c(c1)c23)c45(PERYLENE CCCC(C)C(I-HEXANE CCC(C)CC(3-METHYLPENTANE CC(C)C(C)C(2,3-DIMETHYLBUTANE C7H16 CCCCC(C)C(2-METHYLHEXANE CCC(C)C(C)C(2,3-DIMETHYLPENTANE CC(C)CC(C)C(2,4-DIMETHYLPENTANE CCCCC(C)CC(3-METHYLHEPTANE C9H20 CC(C)CCCCCC(2-METHYLOCTANE CC(C)(C)NCC(O)COc1nsnc1N2CCOCC2 C15H23N1O2 alprenololCC(C)NCC(O)COc1ccccc1CC=C C10H9N3O1amrinoneNc1cc(c[nH]c1=O)c2ccncc2C16H14O3 ketoprofen!CC(C(=O)O)c1cccc(c1)C(=O)c2ccccc2C21H30O5hydrocortisone/CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C2CCC1(O)C(=O)CO C18H29N1O3 betaxolol CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1 C15H13N1O3 ketorolac!OC(=O)C1CCn2c(ccc12)C(=O)c3ccccc3 C14H13N3O4S2 meloxicam+CN2C(=C(O)c1ccccc1S2(=O)=O)C(=O)Nc3ncc(C)s3C9H13N1 amphetamineCC(N)Cc1ccccc1 C11H12CL2N2O5chloramphenicol'OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)N(=O)=O C11H14N2O4 felbamateNC(=O)OCC(COC(=O)N)c1ccccc1 C12H21N5O2S2 nizatidine"CNC(NCCSCc1csc(CN(C)C)n1)=CN(=O)=O C17H13CL1N4 alprazolam$Cc3nnc4CN=C(c1ccccc1)c2cc(Cl)ccc2n34 C16H25N1O2tramadolCOc1cccc(c1)C2(O)CCCCC2CN(C)C C20H24N2O6 nisoldipine4COC(=O)C1=C(C)NC(=C(C1c2ccccc2N(=O)=O)C(=O)OCC(C)C)C C15H11CL1N2O2oxazepam!OC1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=OC14H9CL1N2O3S1tenidap)NC(=O)N2C(=O)C(=C(O)c1cccs1)c3cc(Cl)ccc23 C18H23N1O3dihydrocodeine"COc1ccc2CC5C3CCC(O)C4Oc1c2C34CCN5C C18H19CL2N1O4 felodipine/CCOC(=O)C1=C(C)NC(=C(C1c2cccc(Cl)c2Cl)C(=O)OC)C C18H20N2O6 nitrendipine2CCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)N(=O)=O)C(=O)OC)C C7H5N1O3S1 saccharinO=C1NS(=O)(=O)c2ccccc12 C9H12CL1N5O1 moxonidineCOc1nc(C)nc(Cl)c1NC2=NCCN2 C13H18CL1N1O1 bupropionCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 C14H20N2O2pindololCC(C)NCC(O)COc1cccc2[nH]ccc12 C8H11N3O3S1 lamivudineNc2ccn(C1CSC(CO)O1)c(=O)n2 C17H19N1O3morphine"CN1CCC23C4Oc5c3c(CC1C2C=CC4O)ccc5OC16H14F3N3O2S1 lansoprazole+Cc1c(OCC(F)(F)F)ccnc1CS(=O)c3nc2ccccc2[nH]3 C19H23N1O3 oxyfedrine$COc1cccc(c1)C(=O)CCNC(C)C(O)c2ccccc2 C9H15N1O3S1 captoprilCC(CS)C(=O)N1CCCC1C(=O)O C14H10BR1N3O1 bromazepam Brc1ccc2NC(=O)CN=C(c3ccccn3)c2c1C9H8O4acetylsalicylicacidCC(=O)Oc1ccccc1C(=O)O C11H13BR1N2O6 sorivudine'OCC1OC(C(O)C1O)n2cc(C=CBr)c(=O)[nH]c2=Omethylprednisolone5CC1CC2C3CCC(O)(C(=O)CO)C3(C)CC(O)C2C4(C)C=CC(=O)C=C14 C11H17CL1O7P2mifobate&COP(=O)(OC)OC(c1ccc(Cl)cc1)P(=O)(OC)OC C17H20F6N2O3 flecainide/FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCC2CCCCN2 C20H24N2O2 quinidine%COc1ccc2nccc(C(O)C3CC4CCN3CC4C=C)c2c1 C11H11N3O2 piroximone CCc1[nH]c(=O)[nH]c1C(=O)c2ccncc2 C18H28N2O4 acebutolol(CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(=O)C C10H24N2O2 ethambutolCCC(CO)NCCNC(CC)COC8H9N1O2 C22H29F1O5 dexamethasone6CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO C8H8CL2N4 guanabenzNC(=N)NN=Cc1c(Cl)cccc1ClC6H7N3O1 isoniazidNNC(=O)c1ccncc1 C17H19N3O3S1 omeprazole*COc2ccc1[nH]c(nc1c2)S(=O)Cc3ncc(C)c(OC)c3C C21H27N1O1 C14H19N5O4 famciclovir%CC(=O)OCC(CCn1cnc2cnc(N)nc12)COC(C)=OC16H16CL1N3O3S1 metolazone,CC1Nc2cc(Cl)c(cc2C(=O)N1c3ccccc3C)S(=O)(=O)N C17H21N1O4 fenoterol$CC(Cc1ccc(O)cc1)NCC(O)c2cc(O)cc(O)c2 C17H27N1O4nadolol$CC(C)(C)NCC(O)COc1cccc2CC(O)C(O)Cc12atenololCC(C)NCC(O)COc1ccc(CC(=O)N)cc1 C15H23N3O4S1 sulpiride&CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N C11H17N1O3metaproterenolCC(C)NCC(O)c1cc(O)cc(O)c1 C8H15N7O2S3 famotidine$NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1C1H3O5P1 foscarnetOC(=O)P(=O)(O)O C8H14N3O6P1 cidofovir Nc1ccn(CC(CO)OCP(O)(O)=O)c(=O)n1 C19H21N3O5 isradepine1COC(=O)C1=C(C)NC(=C(C1c2cccc3nonc23)C(=O)OC(C)C)C C12H19N1O3 terbutalineCC(C)(C)NCC(O)c1cc(O)cc(O)c1 C18H23N5O5 reproterol0Cn3c(=O)n(C)c2ncn(CCCNCC(O)c1cc(O)cc(O)c1)c2c3=O C18H34N2O6S1 lincomycin0CCCC1CC(N(C)C1)C(=O)NC(C(C)O)C2OC(SC)C(O)C(O)C2O C21H39N7O12 streptomycinICNC1C(O)C(O)C(CO)OC1OC2C(OC(C)C2(O)C=O)OC3C(O)C(O)C(NC(N)=N)C(O)C3NC(N)=N C24H26F1N1O4 fluvastatin4CC(C)n1c(C=CC(O)CC(O)CC(=O)O)c(c2ccc(F)cc2)c3ccccc13 C20H29N5O3urapidil,COc1ccccc1N3CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC3 C7H10N2O1S1propylthiouracilCCCc1cc(O)nc(S)n1 C15H25N3O1recainamCC(C)NCCCNC(=O)Nc1c(C)cccc1C C3H6N2O2 cycloserine NC1CONC1=O C7H8CL1N3O4S2hydrochlorothiazide"NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl C12H20N2O3 pirbuterolCC(C)(C)NCC(O)c1ccc(O)c(CO)n1 C14H21N3O2S1< sumatriptan%CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 C6H8CL1N7O1 amilorideNC(=N)NC(=O)c1nc(Cl)c(N)nc1NC6H14O6mannitolOCC(O)C(O)C(O)C(O)CO C9H13N5O4 ganciclovir Nc1nc2n(COC(CO)CO)cnc2c(=O)[nH]1 C23H46N6O13neomycinHNCC1OC(OC2C(O)C(OC3C(O)C(N)CC(N)C3OC4OC(CN)C(O)C(O)C4N)OC2CO)C(N)C(O)C1O C18H33O16 raffinose:OCC1OC(CO)(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O C17H24N2O2 phenglutamide!CCN(CC)CCC1(CCC(=O)NC1=O)c2ccccc2 C21H31N1O2 bornaprine%CCN(CC)CCCOC(=O)C1(CC2CCC1C2)c3ccccc3 scopolamine%CN1C2CC(CC1C3OC32)OC(=O)C(CO)c4ccccc4C21H21CL1N4O1S1 ziprasidone,Clc2cc1NC(=O)Cc1cc2CCN3CCN(CC3)c4nsc5ccccc45 C10H13N3O2guanoxanNC(=N)NCC2COc1ccccc1O2 C12H14N2O6 netivudine&CC#Cc2cn(C1OC(CO)C(O)C1O)c(=O)[nH]c2=O C21H43O7N5 gentamicin-C1?C1(N)CCC(C(C)NC)OC1OC2C(N)CC(N)C(OC3OCC((C)(O))C(NC)C3(O))C2(O) C16H17N3O5S1 cefadroxil1CC1=C(N2C(SC1)C(NC(=O)C(N)c3ccc(O)cc3)C2=O)C(=O)O C18H20F1N3O4 ofloxacin0CC2COc3c(N1CCN(C)CC1)c(F)cc4c(=O)c(cn2c34)C(O)=O C17H20F1N3O3 prefloxacin,CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N3CCN(C)CC3 C16H17N3O4S1 cephalexin.CC1=C(N2C(SC1)C(NC(=O)C(N)c3ccccc3)C2=O)C(=O)O C16H16CL1N3O4 loracarbef-NC(C(=O)NC1C2CCC(=C(N2C1=O)C(=O)O)Cl)c3ccccc3C2H5N1O2glycineNCC(O)=O C16H19N3O5S1 amoxicillin0CC1(C)SC2C(NC(=O)C(N)c3ccc(O)cc3)C(=O)N2C1C(=O)O C20H25N1O2S2 tiagabine'Cc1ccsc1C(=CCCN2CCCC(C2)C(O)=O)c3sccc3C C33H30N4O2 telmisartan<CCCc2nc1c(C)cc(cc1n2Cc3ccc(cc3)c4ccccc4C(O)=O)c6nc5ccccc5n6C C20H15F3N4O3 trovoflaxicin;C1C2C(N)C2CN1c3c(F)cc4C(=O)C(C(=O)O)=CN(c5c(F)cc(F)cc5)c4n3 C22H24N2O2 acrivastine+Cc1ccc(cc1)C(=CCN2CCCC2)c3cccc(C=CC(=O)O)n3C6H5N1O2nicotinic acidOC(=O)c1cccnc1 C9H11N1O4levodopaNC(Cc1ccc(O)c(O)c1)C(=O)O C18H18N6O5S2 cefatrizine:NC(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)CSc3cnn[nH]3)c4ccc(O)cc4 C16H19N3O4S1 ampicillin-CC3(C)SC2C(NC(=O)C(N)c1ccccc1)C(=O)N2C3C(O)=O C6H11N1O2 vigabatrinNC(CCC(O)=O)C=C C8H15N1O2tranexamicacidNCC1CCC(CC1)C(=O)O C6H12F2N2O2 eflornithineNCCCC(N)(C(F)F)C(O)=O C10H13N1O4 methyldopaCC(N)(Cc1ccc(O)c(O)c1)C(O)=O C18H18N8O7S3 ceftriaxoneFCON=C(C(=O)NC2C1SCC(=C(N1C2=O)C(O)=O)CSc3nc(=O)c(=O)[nH]n3C)c4csc(N)n4 C22H32BR2N4O4distigminebromideC[Br-].[Br-].CN(CCCCCCN(C)C(=O)Oc1ccc[n+](C)c1)C(=O)Oc2ccc[n+](C)c2 C10H13N5O4 zidovudine,Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O C15H19N1O3 ximoprofen!CC(C(O)=O)c1ccc(cc1)C2CCCC(C2)=NO C9H9CL2N3 clonidineClc1cccc(Cl)c1N=C2NCCN2 C13H13N5O5S2 ceftizoxime3CON=C(C(=O)NC2C1SCC=C(N1C2=O)C(O)=O)c3csc(=N)[nH]3 C25H44O7N14 capreomycinWC2(C1CCNC(=N)N1)C(=O)NCC(N)C(=O)NC(C)C(=O)NC(CNC(=O)CC(N)CCCN)C(=O)NC(=CNC(=O)N)C(=O)N2 C9H10O4N3F1AAFCOCC3OC1C(Oc2nc(=N)cc(F)n12)C3O C11H17N1Br1bretyliumtosylateCC[N+](C)(C)Cc1ccccc1Br C24H32O4S1spironolactone7CC(=O)SC1CC2=CC(=O)CCC2(C)C3CCC4(C)C(CCC54CCC(=O)O5)C13 C29H32O13 etoposideECOc1cc(cc(OC)c1O)C2C3C(COC3=O)C(OC4OC5COC(C)OC5C(O)C4O)c6cc7OCOc7cc26 C20H25N5O7S2cefetamet pivoxilACON=C(C(=O)NC2C1SCC(=C(N1C2=O)C(=O)OCOC(=O)C(C)(C)C)C)c3csc(N)n3 C20H22N4O10S1cefuroximeaxetil@CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)OC(C)OC(=O)C)COC(=O)N)c3ccco3 C38H72N2O12 azithromycinaCCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O C30H46N1O7P1 fosinoprilACCC(=O)OC(OP(=O)(CCCCc1ccccc1)CC(=O)N2CC(CC2C(O)=O)C3CCCCC3)C(C)CC23H36O7 pravastatin6CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)O)C12 C62H111N11O12 cyclosporinCCC1NC(=O)C(C(O)C(C)CC=CC)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C C32H40BR1N5O5 bromocriptineUCC(C)CC1N2C(=O)C(NC(=O)C3CN(C)C4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(OC2(O)C7CCCN7C1=O)C(C)C C27H29N1O11 doxorubicinJCOc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO C16H16N4O8S1 cefuroxime5CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)COC(=O)N)c3ccco3 C11H9I3N2O4iothalamatesodium+c1(C(=O)O)c(I)c(C(=O)NC)c(I)c(NC(=O)C)c1(I) C18H14N4O5S1 sulfasalazine0OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3)ccc1O C24H28N2O5 benazepril0CCOC(=O)C(CCc1ccccc1)NC3CCc2ccccc2N(CC(O)=O)C3=O C21H31N3O5 lisinopril.NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N2CCCC2C(=O)O C18H24N2O5 enalaprilat*CC(NC(CCc1ccccc1)C(=O)O)C(=O)N2CCCC2C(=O)O C47H73O17N1amphotericin BrCC1OC(OC2CC3OC(O)(CC(O)C3C(=O)O)CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)C=CC=CC=CC=CC=CC=CC=C2)C(O)C(N)C1O C13H17N5O8S2 aztreonam:CC2C(NC(=O)C(=NOC(C)(C)C(O)=O)c1csc(N)n1)C(=O)N2S(O)(=O)=OC29H35O3N3Cl1F1 mibefradil;COCC(=O)OC4(CCN(C)CCCc2nc1ccccc1[nH]2)CCc3cc(F)ccc3C4C(C)Cl C13H22N4O3S1 ranitidine"CNC(=CN(=O)=O)NCCSCc1ccc(CN(C)C)o1 C7H6CL1N3O4S2chlorothiazide#NS(=O)(=O)c1cc2c(N=CNS2(=O)=O)cc1Cl C8H11N5O3 acyclovirNc1nc2n(COCCO)cnc2c(=O)[nH]1 C16H18F1N3O3 norfloxacin)CCn1cc(C(=O)O)c(=O)c2cc(F)c(cc12)N3CCNCC3 C20H22N8O5 methotrexate:CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O C9H17N1O2 gabapentinNCC1(CC(=O)O)CCCCC1 C19H21N5O4prazosin-COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4ccco4 C14H10N2O6 olsalazine'OC(=O)c1cc(N=Nc2ccc(O)c(c2)C(=O)O)ccc1O C17H18F1N3O3 ciprofloxacin*OC(=O)c1cn(C2CC2)c3cc(N4CCNCC4)c(F)cc3c1=O C8H12N4O5 ribavirinNC(=O)c1ncn(n1)C2OC(CO)C(O)C2O C18H31N3O3 pafenolol%CC(C)NCC(O)COc1ccc(CCNC(=O)NC(C)C)cc1C12H11CL1N6O2S2 azosemide,NS(=O)(=O)c2cc(c(NCc1cccs1)cc2Cl)c3nnn[nH]3 C16H25N3O5 xamoterol#OC(CNCCNC(=O)N1CCOCC1)COc2ccc(O)cc2 C20H28N2O5 enalapril,CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2CCCC2C(=O)O C16H18N2O5S1phenoxymethylpenicillin+CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)O C15H21N3O3S1 gliclazide'Cc1ccc(cc1)S(=O)(=O)NC(=O)NN3CC2CCCC2C3 C16H18N2O4S1benzylpenicillin*CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O C10H12N4O1S1 thiacetazoneCC(=O)Nc1ccc(C=NNC(N)=S)cc1C24H36O5 lovastatin5CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12 C23H16O11cromolynsodium<OC(COc1cccc2oc(cc(=O)c12)C(=O)O)COc3cccc4oc(cc(=O)c34)C(=O)O V(vdW)-Eq4 V(vdW)-TSARvdW-atom McGowan-AtomC2H6OC6H6O=C1CCCCCCCCCCC1C12H22OMcGowan VolumeMolecular Weight Ring-AromaticRing-Non-AromaticFormulaSMILESu1. Fill the number of elements from C to N cells, the numner of aromatic and non-aromatic ring(s) from O to P cells. g2. Copy and paste Q to S cells to calculate van der Waals volume, McGowan volume and molecular weight. CCCC(C)CCCC(4-METHYLOCTANE CCC(C)(C)C(NEOHEXANE CCC(C)(C)CC(3,3-DIMETHYLPENTANE CCC(CC)(CC)CC(3,3-DIETHYLPENTANE CC(C)(C)C(C)CC(2,2,3-TRIMETHYLPENTANE CCCCCC(C)C(ISOOCTANE CC(C)(C)CCC(C)C(2,2,5-TRIMETHYLHEXANE C7H14 C1CCCCCC1(CYCLOHEPTANE CC1CCCCC1(METHYLCYCLOHEXANE CC1CCCCC1C(1,2-DIMETHYLCYCLOHEXANE-CIS C10H20 CCCCCC1CCCC1(PENTYLCYCLOPENTANE CCCCCC=C(1-HEPTENE CCCCC=CC(2-HEPTENE-TR C9H18 CCCCCCCC=C(1-NONENE CCCCCCC(HEPTANE C=CCCC=C(1,5-HEXADIENE C5H6 C1C=CC=C1(CYCLOPENTADIENE C10H16 C=CC(=C)CCC=C(C)C(MYRCENE CCCCCC#C(1-HEPTYNE C9H16 CCCCCCCC#C(1-NONYNE CCCCCCCCC(NONANE C9H12 CCCc1ccccc1(PROPYLBENZENE CCc1ccccc1C(1-ETHYL-2-METHYLBENZENE CCc1ccc(C)cc1(BENZENE,1-ETHYL-4-METHYL Cc1cccc(C)c1C(1,2,3-TRIMETHYLBENZENE Cc1ccc(C)c(C)c1(1,2,4-TRIMETHYLBENZENE < Cc1cc(C)cc(C)c1(1,3,5-TRIMETHYLBENZENE C10H22 CCCCCCCCCC(DECANE C10H14 CCCCc1ccccc1(BUTYLBENZENE CCc1ccccc1CC(1,2-DIETHYLBENZENE CCc1cccc(CC)c1(BENZENE,1,3-DIETHYL CCc1ccc(CC)cc1(1,4-DIETHYLBENZENE C11H16 CCCCCc1ccccc1(PENTYLBENZENE Cc1cc(C)c(C)c(C)c1C(PENTAMETHYLBENZENE C12H18 Cc1c(C)c(C)c(C)c(C)c1C(HEXAMETHYLBENZENE C13H20 CCCCCCCc1ccccc1(HEPTYLBENZENE C14H22 CCCCCCCCc1ccccc1(OCTYLBENZENE C12H26 CCCCCCCCCCCC(DODECANE CC(C)c1ccccc1C(BENZENE,1-METHYL-2-I-PROPYL CC(C)c1ccc(C)cc1(P-I-PROPYLTOLUENE C9H10 C2Cc1ccccc1C2(INDANE c1ccc(C)cc1C=C(3-METHYLSTYRENE c1cc(C)ccc1C=C(4-METHYLSTYRENE C13H10 C2c1ccccc1c3ccccc23(FLUORENE C18H38O CCCCCCCCCCCCCCCCCCO(N-OCTADECAN-1-OL C4H6O CC=CC=O(2-BUTENAL-TR CCCC=CC=O(2-HEXENAL-TR CC(=C)C=O(2-METHYLPROPENAL C8H14O CCCC=C(CC)C=O(2-ETHYL-2-HEXENAL CCCCC(C)=O(2-HEXANONE CCCC(=O)CC(3-HEXANONE CCCCC(=O)CC(3-HEPTANONE CCCCCC(=O)CC(OCTAN-3-ONE C9H18O CCCCC(=O)CCCC(5-NONANONE CCCCCCCC(C)=O(2-NONANONE C10H20O CCCCCCCCC(C)=O(2-DECANONE CC(C)CCCO(2-METHYL-PENTAN-1-OL CC(C)CC(C)=O(4-METHYL-2-PENTANONE CC(C)C(=O)C(C)C(2,4-DIMETHYL-3-PENTANONE CCC(=O)CC(C)CC(5-METHYL-3-HEPTANONE CC(C)CC(=O)CC(C)C(2,6-DIMETHYL-4-HEPTANONE C7H12O C1CCCC(C)C1=O(2-METHYL-CYCLOHEXANONE CCC(=O)C(1-BUTEN-3-ONE C9H10O CC(=O)c1ccc(C)cc1(P-METHYLACETOPHENONE C14H8O2 O=C2c1ccccc1C(=O)c3ccccc23(ANTHRAQUINONE CH2O2 OC=O(FORMICACID CC(C)(C)CO(1-PROPANOL,2,2-DIMETHYL C6H12O2 CCCCCC(O)=O(HEXANOICACID C7H14O2 CCCCCCC(O)=O(HEPTANOICACID C8H16O2 CCCCCCCC(O)=O(OCTANOICACID C5H10O2 CC(C)CC(O)=O(I-VALERICACID CCC(C)C(O)=O(2-METHYLBUTYRIC ACID CCC(CC)C(O)=O(2-ETHYL-BUTANOICACID CCCCOC=O(FORMICACID,BUTYLESTER CC(C)COC=O(I-BUTYLFORMATE CCCC(C)O(2-PENTANOL CC(=O)OC(C)CC(SEC-BUTYLACETATE CC(C)(C)(=O)OC(METHYL-TERT-BUTYLACETATE CCCCCC(=O)OC(HEXANOICACID,METHYLESTER CCCCOC(=O)CC(BUTYLPROPIONATE CCCCCCOC(C)=O(ACETICACID,HEXYLESTER C9H18O2 CCCCCCCC(=O)OC(METHYLOCTANOATE CC(=O)OC(C)(C)C(TERT-BUTYLACETATE CC(=O)OCCC(C)CC(4-METHYLPENTYLACETATE CCCCC(O)CC(HEPTAN-3-OL C3H4O2 O=C1CCO1(PROPIOLACTONE C4H6O2 CC(=O)OC=C(VINYLACETATE C5H8O2 COC(=O)C(C)=C(METHACRYLICACID,METHYLESTER C8H14O2 CC(C)COC(=O)C(C)=C(METHACRYLICACID,I-BUTYLESTER C4H6O4 COC(=O)C(=O)OC(OXALIC ACID,DIMETHYL ESTER C9H20O CCCCCCCC(O)C(2-NONANOL C6H10O4 COC(=O)CCC(=O)OC(BUTANEDIOICACID,METHYLESTER C8H14O4 CCOC(=O)CCC(=O)OCC(BUTANEDIOICACID,ETHYLESTER C9H10O2 CCOC(=O)c1ccccc1(ETHYLBENZOATE C12H14O4 CCOC(=O)c1ccccc1C(=O)OCC(DIETHYLPHTHALATE C14H18O4 CCCOC(=O)c1ccccc1C(=O)OCCC(DIPROPYLPHTHALATE C20H30O4 CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(DIHEXYLPHTHALATE CC(C)C(C)O(3-METHYL-2-BUTANOL C4H6O3 CC1COC(=O)O1(PROPYLENECARBONATE CC(=O)OC(=O)C#ACETICANHYDRIDE C4H2O3 C1(=O)C=CC(=O)O1#MALEICANHYDRIDE C5H12O2 CC(C)OCCO(I-PROPOXYETHANOL C8H10O2 OCCOc1ccccc1(2-PHENOXYETHANOL CC(C)CC(C)O(4-METHYL-2-PENTANOL C7H8O2 COc1cccc(O)c1(M-METHOXYPHENOL C8H10O3 COc1cccc(OC)c1O(2,6-DIMETHOXYPHENOL Oc1ccccc1C=O(O-HYDROXYBENZALDEHYDE COc1ccc(cc1)C(C)=O(P-METHOXYACETOPHENONE OC1CCCC1(CYCLOPENTANOL C6H10O3 CCOC(=O)CC(C)=O(ETHYLACETOACETATE OC1CCCCCC1(CYCLOHEPTANOL C1CCCC(C)C1O(CYCLOHEXANOL,2-METHYL C1CCC(C)CC1O(CYCLOHEXANOL,3-METHYL CC1CCC(O)CC1(CYCLOHEXANOL,4-METHYL C10H18O CC1=CCC(CC1)C(C)(C)O(A-TERPINEOL C8H10O OCCc1ccccc1(PHENYLETHYL ALCOHOL Cc1cccc(O)c1C(2,3-DIMETHYLPHENOL Cc1ccc(C)c(O)c1(2,5-DIMETHYLPHENOL Cc1cccc(C)c1O(2,6-DIMETHYLPHENOL Cc1ccc(O)cc1C(3,4-DIMETHYLPHENOL Cc1cc(C)cc(O)c1(3,5-DIMETHYLPHENOL CCc1ccc(O)cc1(P-ETHYLPHENOL C9H12O CCCc1ccc(O)cc1(P-PROPYLPHENOL C10H8O Oc1cccc2ccccc12(1-NAPHTHOL Oc2ccc1ccccc1c2(2-NAPHTHOL C6H6O2 Oc1cccc(O)c1(M-DIHYDROXYBENZENE CC(OC)C(METHOXYISOPROPANE CCCCOC(METHOXYBUTANE CCCCOC=C(BUTOXYVINYL C(C)CCOC=C(ISO-BUTOXYVINYL C=COC=C(VINYL ETHER C10H22O2 CCCCOCCOCCCC(1,2-DIBUTOXYETHANE CC12CCC(CC1)C(C)(C)O2(EUCALYPTOL C5H6O Cc1ccco1(2-METHYLFURAN C12H8O c1ccc2c(c1)oc3ccccc23(DIBENZOFURAN C12H26O CCCCCCCCCCCCO(1-DODECANOL CCCCCCC=O(HEPTANAL CCCCCCCCC=O(NONANAL CCC(CC)C=O(2-ETHYLBUTANAL C#CCO(PROARGYLALCOHOL CC(=C)C=C(2-METHYL-1,3-BUTADIENE CNC=O(METHYLFORMAMIDE COc1ccccc1(ANISOLE C8H8O2 COC(=O)c1ccccc1(BENZOICACID,METHYLESTER C9H9N C5H10O3 CCOC(=O)OCC(DIETHYLCARBONATE C3H6O3 COC(=O)OC)DIMETHYLCARBONATE COC(C)=O(ACETICACID,METHYLESTER C7H5F3 FC(F)(F)c1ccccc1(BENZENE,TRIFLUOROMETHYL C12H8S <c1ccc2c(c1)sc3ccccc23(DIBENZOTHIOPHENE C7H5NS CSc1ccccc1(METHYLTHIOBENZENE C8H6 C#Cc1ccccc1(BENZENE,ETHYNYL C9H14O isophoroneC1C(C)(C)CC(C)=CC1=OC10H12O2 COc1cc(CC=C)ccc1O(PHENOL,2-METHOXY-4-ALLYL C7H6O3 OC(=O)c1ccccc1O salicylicacid(SALICYLIC ACID C5H4O2 O=Cc1ccco1(FURFURAL C12H10O O(c1ccccc1)c2ccccc2(DIPHENYLETHER C6H12O3 CC1OC(C)OC(C)O1(PARALDEHYDE C6H4N2O5Oc1ccc(N(=O)=O)c(c1)N(=O)=O34DINITROPHENOL C6H6O2 RESORCINOL Oc1ccc(O)cc1 HYDROQUINONE C8H8O5COC(=O)c1cc(O)c(O)c(O)c1METHYLGALLATE C8H9NO2CC(=O)Nc1ccc(O)cc1 acetaminophenACETAMINOPHEN C6H6O3 Oc1cccc(O)c1O123TRIHYDROXYBENZENE Oc1cc(O)cc(O)c1135TRIHYDROXYBENZENE C8H6O4OC(=O)c1ccccc1C(=O)OOPHTHALICACID C7H6O2PHYDROXYBENZALDEHYDE C7H5NO MCYANOPHENOL C15H12N2O2!O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3 phenytoin PHENYTOIN C9H20N2OCCN(CC)C(=O)N(CC)CCTETRAETHYLUREA C6H15O4PCCOP(=O)(OCC)OCCTRIETHYLPHOSPHATE C4H14NO3PSCOP(O)(NC(C)O)SCCOP(O)(NC(C)O)SC C10H15NOc1ccccc1C(O)C(C)NC EPHEDRINE C18H15OPO=P(c1ccccc1)(c2ccccc2)c3ccccc3TRIPHENYLPHOSPHINEOXIDE C10H14N2CN1CCCC1c2cccnc2nicotine NICOTINE C15H21NO2CCOC(=O)C1(CCN(C)CC1)c2ccccc2 MEPERIDINE C11H12N2OCc1cc(=O)n(c2ccccc2)n1C antipyrine ANTIPYRINE C8H8BrNOCC(=O)Nc1cccc(Br)c13BROMOACETANILIDE Oc1ccc(cc1N(=O)=O)N(=O)=O24DINITROPHENOL C7H6O5OC(=O)c1cc(O)c(O)c(O)c1 GALLICACID C4H6O4OC(=O)CCC(=O)O SUCCINICACID C9H14O6CC(=O)OCC(COC(=O)C)OC(=O)CGLYCERYLTRIACETATE C3H6N4 CNC(=NC#N)N1METHYL2CYANOGUANIDINE C2H6O4SDimethylsulfate COS(=O)(=O)OCC6H18N3PHexamethylphosphotriamideCN(C)P(N(C)C)N(C)CC21H27NO&CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2 methadone METHADONE C6H6N4O4NC(=O)NN=Cc1ccc(o1)N(=O)=ONITROFURAZONE C5H6N2O2CC1=CNC(=O)NC1=OTHYMINE C8H12N2O3O=C1NC(=O)NC(=O)C1(CC)CC BARBITAL C11H18N2O3O=C1NC(=O)NC(=O)C1(CC)C(C)CCCPENTOBARBITAL Name C23H29ClFN3O4 cisapride2COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c3cc(Cl)c(N)cc3OCC8H16O2 valproicacidCCCC(CCC)C(=O)OC7H6O3 C16H13ClN2O1diazepam#CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13 C13H11N3O4S2 sudoxicam(CN2C(=C(O)c1ccccc1S2(=O)=O)C(=O)Nc3nccs3C23H28CL1N3O5S1 glyburide8COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3 C28H40N2O5 gallopamil8COc2ccc(CCN(C)CCCC(C#N)(C(C)C)c1cc(OC)c(OC)c(OC)c1)cc2OC C11H17N1O1 mexiletineCC(N)COc1c(C)cccc1C C25H32CL1N5O2 nefazodone3CCc3nn(CCCN1CCN(CC1)c2cccc(Cl)c2)c(=O)n3CCOc4ccccc4C14H14O3naproxenCOc1ccc2cc(ccc2c1)C(C)C(=O)O C9H7CL2N5 lamotrigineNc1nnc(c(N)n1)c2cccc(Cl)c2Cl C10H14O3S1 tolmesoxideCOc1cc(C)c(cc1OC)S(C)=O C10H20N2S4 disulfiramCCN(CC)C(=S)SSC(=S)N(CC)CC C16H20N4O3S1 Torasemide)CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc2cccc(C)c2 C15H25N1O3 metoprololCOCCc1ccc(OCC(O)CNC(C)C)cc1 C19H21N1O4naloxone*Oc1ccc2CC3N(CC=C)CCC4(C5Oc1c24)C3(O)CCC5=O C19H25N5O4 terazosin-COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)C4CCCO4 C20H17F1O3S1sulindac-CC2=C(CC(O)=O)c1cc(F)ccc1C2=Cc3ccc(cc3)S(C)=O C17H26N2O4S1 sultopride'CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)CC C12H21N1O8S1 topiramate*CC3(C)OC2COC1(COS(N)(=O)=O)OC(C)(C)OC1C2O3 C12H18N2O3S1 tolbutamideCCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1 C23H29N1O3 propiverine+CCCOC(C(=O)OC1CCN(C)CC1)(c2ccccc2)c3ccccc3 C41H64O14digoxinbCC1OC(CC(O)C1O)OC2C(O)CC(OC2C)OC8C(O)CC(OC7CCC3(C)C(CCC4C3CC(O)C5(C)C(CCC45O)C6=CC(=O)OC6)C7)OC8C C2H6O3S2mercaptoethanesulfinicacidOS(=O)(=O)CCS C10H16N6S1 cimetidineCNC(=NC#N)NCCSCc1nc[nH]c1CC12H11CL1N2O5S1 furosemide'NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1ClC4H11N5 metforminCN(C)C(=N)NC(N)=N C12H17N1O3 rimiterolOC(C1CCCCN1)c2ccc(O)c(O)c2C30H44O9cymarinFCOC6CC(OC4CCC3(C=O)C2CCC1(C)C(CCC1(O)C2CCC3(O)C4)C5=CC(=O)OC5)OC(C)C6OC6H8O6 ascorbic acidOCC(O)C1OC(=O)C(=C1O)O C3H7O4P1 fosfomycinCC1OC1P(O)(O)=O C4H10N1O5P1 fosmidomycinON(CCCP(O)(O)=O)C=O C42H64O19k-strophanthosiderCC6OC(OC4CCC3(C=O)C2CCC1(C)C(CCC1(O)C2CCC3(O)C4)C5=CC(=O)OC5)CC(OC)C6O(C7OC(CO)C(OC8OC(CO)C(O)C(O)C8(O))C(O)C7(O)) C8H12N5O4P1adefovir Cy  4C0g{ D{  :> 7n 5l,c q NP4 !g#P4$;&rP4' )@~*,-//0-2D3<5S 6 83 9;4< >,?@:BQCE\FsGlIKLw%NtOQ |RoS|Uo WWJ *Y Z[/]"u^h_` (sxD ez>\|-.~}N1:πe@npN:o@Y;E0C“op` ݖ A}* 0ěqP/\ͣzj%`Jp2عGrjÆg`gpuعw `? ` 6 .@H/b"0/k0/b2 b3N}@bQ<b0qc1ccc2c(c1)sc3ccccc23(DIBENZOTHIOPHENE C7H5NS CSc1ccccc1(METHYLTHIOBENZENE C8H6 C#Cc1ccccc1(BENZENE,ETHYNYL C9H14O isophoroneC1C(C)(C)CC(C)=CC1=OC10H12O2 COc1cc(CC=C)ccc1O(PHENOL,2-METHOXY-4-ALLYL C7H6O3 OC(=O)c1ccccc1O salicylicacid(SALICYLIC ACID C5H4O2 O=Cc1ccco1(FURFURAL C12H10O O(c1ccccc1)c2ccccc2(DIPHENYLETHER C6H12O3 CC1OC(C)OC(C)O1(PARALDEHYDE C6H4N2O5Oc1ccc(N(=O)=O)c(c1)N(=O)=O34DINITROPHENOL C6H6O2 RESORCINOL Oc1ccc(O)cc1 HYDROQUINONE C8H8O5COC(=O)c1cc(O)c(O)c(O)c1METHYLGALLATE C8H9NO2CC(=O)Nc1ccc(O)cc1 acetaminophen @ H$,<L\*6lCO|\ir  dMbP?_*+%"D ??U} I D} $D}  DT0bb> bb r   )@ , // -2D<5S 83 ;4>,b0s lILwO|Ro|Uo *Y[u^h`cf        3R@ $}ZgM@   >g M@#/kb=G@   +W@yR@   mU@sMP@   ;dMa@lZ@   kvc@ZF=]@   S{w'Y@lS@   mU@ 34P@    _wTOQ@ ZCK@    HX1[@ A>7U@    %I@ ?GD@    NK]N@ mZH@    CRA@ -$`<@   w1HP@C=\G@   _wTOQ@W\J@   boS@.c}M@   EuX@ !{S@   f ,`@ H`Y@   M܃T@`P@   B H@`s E@   E@O[#q@@   }E\@odMU@   EuX@ZKS@   ѹ99@q@H4@   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