INTEDE - Interactome of Drug-Metabolizing Enzyme Database Title - SMILES and InChI for the drugs metabolized by DMEs Version 1.8.1 (2020.08.15) Provided by IDRB Lab of Innovative Drug Reasearch and Bioinformatics College of Pharmaceutical Sciences Zhejiang University https://idrblab.org/ Any question about data provided here, please contact with: Dr. Yin (yinjiayi@zju.edu.cn) and Dr. Li (lifengcheng@zju.edu.cn) -------------------------------------------------------------------------------------------------------- Abbreviations: DRUG__ID INTEDE Drug ID DRUGNAME INTEDE Drug Name PUBCMCID PubChem CID TTDRUGID TTD Drug ID DFORMULA Formula INCHIKEY InChIKey DRUINCHI InChI CASMILES Canonical SMILES CAS__NUM CAS Number CHEBINUM ChEBI ID PUBCMSID PubChem SID -------------------------------------------------------------------------------------------------------- DR0001 DRUG__ID DR0001 DR0001 DRUGNAME Mevalonate-PP DR0001 PUBCMCID 439418 DR0001 TTDRUGID D08ERD DR0001 DFORMULA C6H14O10P2 DR0001 INCHIKEY SIGQQUBJQXSAMW-ZCFIWIBFSA-N DR0001 DRUINCHI 1S/C6H14O10P2/c1-6(9,4-5(7)8)2-3-15-18(13,14)16-17(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H,13,14)(H2,10,11,12)/t6-/m1/s1 DR0001 CASMILES CC(CCOP(=O)(O)OP(=O)(O)O)(CC(=O)O)O DR0001 CAS__NUM CAS 1492-08-6 DR0001 CHEBINUM 15899 DR0001 PUBCMSID 4374; 8145088; 10298332; 24697980; 36883645; 79436129; 103537352; 104620459; 123060236; 126523800; 135651554; 136380761; 136380772; 137220405; 139524400; 229303009; 242943846 DR0004 DRUG__ID DR0004 DR0004 DRUGNAME INS-339(II) DR0004 PUBCMCID 24203 DR0004 TTDRUGID D0Q4VO DR0004 DFORMULA HNa2O4P DR0004 INCHIKEY BNIILDVGGAEEIG-UHFFFAOYSA-L DR0004 DRUINCHI 1S/2Na.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2 DR0004 CASMILES OP(=O)([O-])[O-].[Na+].[Na+] DR0004 CAS__NUM CAS 7558-79-4 DR0004 CHEBINUM 34683 DR0005 DRUG__ID DR0005 DR0005 DRUGNAME Chloroben DR0005 PUBCMCID 7239 DR0005 DFORMULA C6H4Cl2 DR0005 INCHIKEY RFFLAFLAYFXFSW-UHFFFAOYSA-N DR0005 DRUINCHI 1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H DR0005 CASMILES C1=CC=C(C(=C1)Cl)Cl DR0005 CAS__NUM CAS 95-50-1 DR0005 CHEBINUM 35290 DR0006 DRUG__ID DR0006 DR0006 DRUGNAME Naphthoquinone beta DR0006 PUBCMCID 10667 DR0006 TTDRUGID D0W9VA DR0006 DFORMULA C10H6O2 DR0006 INCHIKEY KETQAJRQOHHATG-UHFFFAOYSA-N DR0006 DRUINCHI 1S/C10H6O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H DR0006 CASMILES C1=CC=C2C(=C1)C=CC(=O)C2=O DR0006 CAS__NUM CAS 524-42-5 DR0006 CHEBINUM 34055 DR0007 DRUG__ID DR0007 DR0007 DRUGNAME E-3A DR0007 PUBCMCID 5757 DR0007 TTDRUGID D08QMX DR0007 DFORMULA C18H24O2 DR0007 INCHIKEY VOXZDWNPVJITMN-ZBRFXRBCSA-N DR0007 DRUINCHI 1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 DR0007 CASMILES CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O DR0007 CAS__NUM CAS 50-28-2 DR0007 CHEBINUM 16469 DR0007 PUBCMSID 2384; 4202; 75249; 652955; 820385; 821147; 823461; 823615; 825708; 829421; 831023; 831024; 838509; 841780; 4266382; 7847173;7887363; 8028360; 8139856; 8139865; 8143549; 8153534; 10321307; 11110639; 11120283; 11120771; 11121259; 11121708; 11122188; 11362819; 11364683; 11365381; 11367245; 11367943; 11369807; 11370869; 11370870; 11372848; 11373544; 11375407; 11376105; 11377970; 11466469; 11467589; 11486157; 12012600; 14799365; 14799367; 17389898; 17405066 DR0008 DRUG__ID DR0008 DR0008 DRUGNAME HY-126236 DR0008 PUBCMCID 160565 DR0008 TTDRUGID D0WM6E DR0008 DFORMULA C15H12I2O4 DR0008 INCHIKEY WONYMNWUJVKVII-UHFFFAOYSA-N DR0008 DRUINCHI 1S/C15H12I2O4/c16-12-7-9(1-6-14(19)20)8-13(17)15(12)21-11-4-2-10(18)3-5-11/h2-5,7-8,18H,1,6H2,(H,19,20) DR0008 CASMILES C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)CCC(=O)O)I DR0008 CAS__NUM CAS 1158-10-7 DR0008 CHEBINUM 134267 DR0009 DRUG__ID DR0009 DR0009 DRUGNAME AZT-MP DR0009 PUBCMCID 65374 DR0009 TTDRUGID D0A2IQ DR0009 DFORMULA C10H14N5O7P DR0009 INCHIKEY OIFWQOKDSPDILA-XLPZGREQSA-N DR0009 DRUINCHI 1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1 DR0009 CASMILES CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)N=[N+]=[N-] DR0009 CAS__NUM CAS 29706-85-2 DR0009 PUBCMSID 596158; 7885996; 8189654; 14851799; 43122176; 57315465; 78488546; 103570821; 104333583; 117626853; 128812815; 135023143; 163214800; 164800233; 180423905; 198976154; 240054070 DR0010 DRUG__ID DR0010 DR0010 DRUGNAME Nitrobenzanthrone DR0010 PUBCMCID 2825690 DR0010 DFORMULA C17H9NO3 DR0010 INCHIKEY QAJOWHGESRCVLY-UHFFFAOYSA-N DR0010 DRUINCHI 1S/C17H9NO3/c19-17-12-5-2-1-4-10(12)11-8-9-15(18(20)21)13-6-3-7-14(17)16(11)13/h1-9H DR0010 CASMILES C1=CC=C2C(=C1)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O DR0010 CAS__NUM CAS 17117-34-9 DR0011 DRUG__ID DR0011 DR0011 DRUGNAME BRN-3548355 DR0011 PUBCMCID 47289 DR0011 DFORMULA C10H13N3O2 DR0011 INCHIKEY FLAQQSHRLBFIEZ-UHFFFAOYSA-N DR0011 DRUINCHI 1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3 DR0011 CASMILES CN(CCCC(=O)C1=CN=CC=C1)N=O DR0011 CAS__NUM CAS 64091-50-5 DR0011 CHEBINUM 32692 DR0012 DRUG__ID DR0012 DR0012 DRUGNAME Benzotetronic acid DR0012 PUBCMCID 54682930 DR0012 DFORMULA C9H6O3 DR0012 INCHIKEY VXIXUWQIVKSKSA-UHFFFAOYSA-N DR0012 DRUINCHI 1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H DR0012 CASMILES C1=CC=C2C(=C1)C(=CC(=O)O2)O DR0012 CAS__NUM CAS 1076-38-6 DR0012 CHEBINUM 40070 DR0013 DRUG__ID DR0013 DR0013 DRUGNAME Methoxyamphetamine beta DR0013 PUBCMCID 31721 DR0013 TTDRUGID D0R7ZC DR0013 DFORMULA C10H15NO DR0013 INCHIKEY NEGYEDYHPHMHGK-UHFFFAOYSA-N DR0013 DRUINCHI 1S/C10H15NO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3 DR0013 CASMILES CC(CC1=CC=C(C=C1)OC)N DR0013 CAS__NUM CAS 64-13-1 DR0014 DRUG__ID DR0014 DR0014 DRUGNAME Nitrobenzaldehyde DR0014 PUBCMCID 541 DR0014 DFORMULA C7H5NO3 DR0014 INCHIKEY BXRFQSNOROATLV-UHFFFAOYSA-N DR0014 DRUINCHI 1S/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H DR0014 CASMILES C1=CC(=CC=C1C=O)[N+](=O)[O-] DR0014 CAS__NUM CAS 555-16-8 DR0014 CHEBINUM 66926 DR0015 DRUG__ID DR0015 DR0015 DRUGNAME Nitrophenyl acetate DR0015 PUBCMCID 13243 DR0015 DFORMULA C8H7NO4 DR0015 INCHIKEY QAUUDNIGJSLPSX-UHFFFAOYSA-N DR0015 DRUINCHI 1S/C8H7NO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3 DR0015 CASMILES CC(=O)OC1=CC=C(C=C1)[N+](=O)[O-] DR0015 CAS__NUM CAS 830-03-5 DR0015 CHEBINUM 82635 DR0016 DRUG__ID DR0016 DR0016 DRUGNAME Oxo-2-nonenal DR0016 PUBCMCID 6445537 DR0016 TTDRUGID D05DTN DR0016 DFORMULA C9H14O2 DR0016 INCHIKEY SEPPVOUBHWNCAW-FNORWQNLSA-N DR0016 DRUINCHI 1S/C9H14O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-8H,2-4,6H2,1H3/b7-5+ DR0016 CASMILES CCCCCC(=O)C=CC=O DR0016 CAS__NUM CAS 103560-62-9 DR0016 CHEBINUM 58972 DR0016 PUBCMSID 11969808; 15760979; 43037731; 51137473; 53790112; 57369861; 92741691; 103756909; 104152853; 114573095; 121379255;126522570; 126559761; 132567097; 135134506; 137005579; 137520829; 144230172; 175442262; 178102903; 204389695; 224311136; 226760945; 252457309; 252465418 DR0017 DRUG__ID DR0017 DR0017 DRUGNAME ISO-901 DR0017 PUBCMCID 135400185 DR0017 DFORMULA C20H23N7O6 DR0017 INCHIKEY QYNUQALWYRSVHF-ABLWVSNPSA-N DR0017 DRUINCHI 1S/C20H23N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t12?,13-/m0/s1 DR0017 CASMILES C1C2CN(CN2C3=C(N1)N=C(NC3=O)N)C4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O DR0017 CAS__NUM CAS 3432-99-3 DR0017 CHEBINUM 9139 DR0018 DRUG__ID DR0018 DR0018 DRUGNAME CTK1G9578 DR0018 PUBCMCID 160531 DR0018 DFORMULA C19H26O2 DR0018 INCHIKEY SQGZFRITSMYKRH-QAGGRKNESA-N DR0018 DRUINCHI 1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,14-16H,4-11H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1 DR0018 CASMILES CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(=O)C4)C DR0018 CAS__NUM CAS 571-36-8 DR0018 CHEBINUM 83865 DR0019 DRUG__ID DR0019 DR0019 DRUGNAME DACTHF DR0020 DRUG__ID DR0020 DR0020 DRUGNAME Fluorouracilo DR0020 PUBCMCID 3385 DR0020 TTDRUGID D05LEO DR0020 DFORMULA C4H3FN2O2 DR0020 INCHIKEY GHASVSINZRGABV-UHFFFAOYSA-N DR0020 DRUINCHI 1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9) DR0020 CASMILES C1=C(C(=O)NC(=O)N1)F DR0020 CAS__NUM CAS 51-21-8 DR0020 CHEBINUM 46345 DR0020 PUBCMSID 9851; 82653; 595836; 603131; 841046; 3139714; 5132902; 5367838; 7847650; 7891022; 7978600; 8139872; 8149350; 8152156; 10524722;11111190; 11335229; 11360468; 11363735; 11366297; 11368859; 11371368; 11374392; 11377021; 11406045; 11461440; 11484027; 11487892; 11490250; 11492372; 11494655; 11538022; 15218968; 17389875; 17405099;22391543; 24276773; 24278439; 24871165; 24894963; 25346604; 25621761; 26611750; 26679238; 26697058; 26747342; 26747343; 26747344; 26752979; 26758708 DR0021 DRUG__ID DR0021 DR0021 DRUGNAME Methoxybufotenin DR0021 PUBCMCID 1832 DR0021 TTDRUGID D0C5XQ DR0021 DFORMULA C13H18N2O DR0021 INCHIKEY ZSTKHSQDNIGFLM-UHFFFAOYSA-N DR0021 DRUINCHI 1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3 DR0021 CASMILES CN(C)CCC1=CNC2=C1C=C(C=C2)OC DR0021 CAS__NUM CAS 1019-45-0 DR0021 CHEBINUM 2086 DR0021 PUBCMSID 10507; 396190; 855873; 3133037; 5496810; 8151306; 10502422; 11111436; 11388126; 11536794; 14773502; 24278119; 26751543; 29221031; 46530517; 47291301; 47440455; 47589168; 47810950; 48035331; 48185166; 48259441; 49747340; 49830131; 49983965; 50100273; 50104133; 57321042; 58004968; 76623346; 81040716; 81093165; 85209445; 92265408; 99381478; 103165737; 104298854; 118048564; 124438278; 124749945; 124801106; 124880659; 124880660; 124880661; 124880662; 124999880; 125336666; 126524284; 126566690; 126572697 DR0022 DRUG__ID DR0022 DR0022 DRUGNAME O-Benzylguanine DR0022 PUBCMCID 4578 DR0022 TTDRUGID D0B5BG DR0022 DFORMULA C12H11N5O DR0022 INCHIKEY KRWMERLEINMZFT-UHFFFAOYSA-N DR0022 DRUINCHI 1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17) DR0022 CASMILES C1=CC=C(C=C1)COC2=NC(=NC3=C2NC=N3)N DR0022 CAS__NUM CAS 19916-73-5 DR0023 DRUG__ID DR0023 DR0023 DRUGNAME Hydroxy-cholesten-one DR0023 PUBCMCID 123743 DR0023 DFORMULA C27H44O2 DR0023 INCHIKEY IOIZWEJGGCZDOL-RQDYSCIWSA-N DR0023 DRUINCHI 1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24-,25+,26+,27-/m1/s1 DR0023 CASMILES CC(C)CCCC(C)C1CCC2C1(CCC3C2C(CC4=CC(=O)CCC34C)O)C DR0023 CAS__NUM CAS 3862-25-7 DR0023 CHEBINUM 17899 DR0024 DRUG__ID DR0024 DR0024 DRUGNAME SN-38 DR0024 PUBCMCID 104842 DR0024 TTDRUGID D0B6YB DR0024 DFORMULA C22H20N2O5 DR0024 INCHIKEY FJHBVJOVLFPMQE-QFIPXVFZSA-N DR0024 DRUINCHI 1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1 DR0024 CASMILES CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)O DR0024 CAS__NUM CAS 86639-52-3 DR0024 CHEBINUM 8988 DR0024 PUBCMSID 13355; 515301; 622834; 10233636; 11430409; 12012598; 14805294; 14805295; 44434437; 49835447; 50028359; 50112971; 56311337; 56311445; 56311571; 56312630; 57337873; 71831605; 80486942; 87559919; 89360249; 92712502; 103220117; 103996165; 104373061; 126588659; 126625532; 126656661; 126666539; 127855413; 134340412; 134340540; 135062353; 135693781; 135710073; 136377612; 136897516; 136911131; 137138435; 142309355; 144115510; 152059852; 152164367; 152200177; 152245349; 162178284; 162223790; 163367112; 164178264; 164194982 DR0025 DRUG__ID DR0025 DR0025 DRUGNAME NSC-6113 DR0025 PUBCMCID 10661 DR0025 DFORMULA C7H7ClN4O2 DR0025 INCHIKEY RYIGNEOBDRVTHA-UHFFFAOYSA-N DR0025 DRUINCHI 1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10) DR0025 CASMILES CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl DR0025 CAS__NUM CAS 85-18-7 DR0025 CHEBINUM 59771 DR0026 DRUG__ID DR0026 DR0026 DRUGNAME Phenanthrenequinone DR0026 PUBCMCID 6763 DR0026 TTDRUGID D0Q2YJ DR0026 DFORMULA C14H8O2 DR0026 INCHIKEY YYVYAPXYZVYDHN-UHFFFAOYSA-N DR0026 DRUINCHI 1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H DR0026 CASMILES C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=O DR0026 CAS__NUM CAS 84-11-7 DR0026 CHEBINUM 37454 DR0027 DRUG__ID DR0027 DR0027 DRUGNAME Abacavir DR0027 PUBCMCID 441300 DR0027 TTDRUGID D0A4IJ DR0027 DFORMULA C14H18N6O DR0027 INCHIKEY MCGSCOLBFJQGHM-SCZZXKLOSA-N DR0027 DRUINCHI 1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1 DR0027 CASMILES C1CC1NC2=NC(=NC3=C2N=CN3C4CC(C=C4)CO)N DR0027 CAS__NUM CAS 136470-78-5 DR0027 CHEBINUM 2360 DR0027 PUBCMSID 9826; 603460; 612310; 7978623; 10298786; 14775540; 14799909; 26757979; 26757980; 36885172; 46505718; 51091399; 57403623; 70504220; 76364492; 81092778; 85612588; 92729708; 103463308; 104052305; 104625144; 126654052; 128575040; 131298145; 135025044; 136345668; 137006087; 142178555; 160845918; 160964383; 162011475; 162176802;163621096; 163686421; 163883088; 164814948; 165235811; 175267614; 175442679; 179149865; 184545024; 186014779; 196109919; 223516662; 223703089; 223704757; 223900945; 226424139; 241033176; 241383802 DR0028 DRUG__ID DR0028 DR0028 DRUGNAME Abemaciclib DR0028 PUBCMCID 46220502 DR0028 TTDRUGID D05SBO DR0028 DFORMULA C27H32F2N8 DR0028 INCHIKEY UZWDCWONPYILKI-UHFFFAOYSA-N DR0028 DRUINCHI 1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34) DR0028 CASMILES CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F DR0028 CAS__NUM CAS 1231929-97-7 DR0028 PUBCMSID 96075034; 120483888; 140885353; 141321259; 163621010; 163686341; 172917432; 178103954; 185975428; 198954176; 207011353; 223404298; 223405968; 224401848; 228594084; 242651810; 248540783; 249814531; 251910681; 252215739; 252479469 DR0030 DRUG__ID DR0030 DR0030 DRUGNAME Abiraterone acetate DR0030 PUBCMCID 9821849 DR0030 TTDRUGID D06CNP DR0030 DFORMULA C26H33NO2 DR0030 INCHIKEY UVIQSJCZCSLXRZ-UBUQANBQSA-N DR0030 DRUINCHI 1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1 DR0030 CASMILES CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC=C4C5=CN=CC=C5)C)C DR0030 CAS__NUM CAS 154229-18-2 DR0030 CHEBINUM 68639 DR0031 DRUG__ID DR0031 DR0031 DRUGNAME Acalabrutinib DR0031 PUBCMCID 71226662 DR0031 TTDRUGID D09PQZ DR0031 DFORMULA C26H23N7O2 DR0031 INCHIKEY WDENQIQQYWYTPO-IBGZPJMESA-N DR0031 DRUINCHI 1S/C26H23N7O2/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20/h3-4,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35)/t19-/m0/s1 DR0031 CASMILES CC#CC(=O)N1CCCC1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)C(=O)NC5=CC=CC=N5 DR0031 CAS__NUM CAS 1420477-60-6 DR0032 DRUG__ID DR0032 DR0032 DRUGNAME Acebutolol DR0032 PUBCMCID 1978 DR0032 TTDRUGID D0HD9K DR0032 DFORMULA C18H28N2O4 DR0032 INCHIKEY GOEMGAFJFRBGGG-UHFFFAOYSA-N DR0032 DRUINCHI 1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23) DR0032 CASMILES CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C DR0032 CAS__NUM CAS 37517-30-9 DR0032 CHEBINUM 2379 DR0032 PUBCMSID 9022; 5199954; 7849397; 7978630; 8148212; 8151358; 10520758; 11335787; 11361026; 11363385; 11365947; 11368509; 11371586; 11374422;11376671; 11461998; 11466097; 11467217; 11485235; 11485914; 11489156; 11490389; 11492617; 11494305; 15075320; 29221166; 46509113; 47216767; 47216768; 47291119; 47365171; 47365172; 47440234; 47810742;49698901; 49895324; 50427938; 56413043; 57321077; 85209697; 85787903; 99222788; 103189011; 104299258; 124883487; 126443068; 126679412; 127982055; 134337777; 134999047 DR0033 DRUG__ID DR0033 DR0033 DRUGNAME Aceclofenac DR0033 PUBCMCID 71771 DR0033 TTDRUGID D0T8VY DR0033 DFORMULA C16H13Cl2NO4 DR0033 INCHIKEY MNIPYSSQXLZQLJ-UHFFFAOYSA-N DR0033 DRUINCHI 1S/C16H13Cl2NO4/c17-11-5-3-6-12(18)16(11)19-13-7-2-1-4-10(13)8-15(22)23-9-14(20)21/h1-7,19H,8-9H2,(H,20,21) DR0033 CASMILES C1=CC=C(C(=C1)CC(=O)OCC(=O)O)NC2=C(C=CC=C2Cl)Cl DR0033 CAS__NUM CAS 89796-99-6 DR0033 CHEBINUM 31159 DR0034 DRUG__ID DR0034 DR0034 DRUGNAME Acefylline DR0034 PUBCMCID 69550 DR0034 DFORMULA C9H10N4O4 DR0034 INCHIKEY HCYFGRCYSCXKNQ-UHFFFAOYSA-N DR0034 DRUINCHI 1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15) DR0034 CASMILES CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O DR0034 CAS__NUM CAS 652-37-9 DR0034 CHEBINUM 94615 DR0035 DRUG__ID DR0035 DR0035 DRUGNAME Acemetacin DR0035 PUBCMCID 1981 DR0035 DFORMULA C21H18ClNO6 DR0035 INCHIKEY FSQKKOOTNAMONP-UHFFFAOYSA-N DR0035 DRUINCHI 1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25) DR0035 CASMILES CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O DR0035 CAS__NUM CAS 53164-05-9 DR0035 CHEBINUM 31162 DR0036 DRUG__ID DR0036 DR0036 DRUGNAME G-23350 DR0036 PUBCMCID 54676537 DR0036 TTDRUGID D05HFY DR0036 DFORMULA C19H15NO6 DR0036 INCHIKEY VABCILAOYCMVPS-UHFFFAOYSA-N DR0036 DRUINCHI 1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3 DR0036 CASMILES CC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(C3=CC=CC=C3OC2=O)O DR0036 CAS__NUM CAS 152-72-7 DR0036 CHEBINUM 53766 DR0037 DRUG__ID DR0037 DR0037 DRUGNAME Acetaminophen DR0037 PUBCMCID 1983 DR0037 TTDRUGID D0U5QK DR0037 DFORMULA C8H9NO2 DR0037 INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N DR0037 DRUINCHI 1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) DR0037 CASMILES CC(=O)NC1=CC=C(C=C1)O DR0037 CAS__NUM CAS 103-90-2 DR0037 CHEBINUM 46195 DR0037 PUBCMSID 9023; 70391; 408305; 609360; 3131814; 4266416; 5199969; 7847284; 7890920; 7978634; 8149184; 8151363; 10321115; 10502811; 11112253; 11114188; 11335835; 11361074; 11362770; 11365332; 11367894; 11371386; 11373699; 11376056; 11462046; 11466896; 11468016; 11483746; 11486572; 11487901; 11490099; 11491955; 11493830; 11532417; 15321628; 17390068; 17436465; 22388563; 24714721; 24715004; 24890717; 24890930; 24891173; 24891200; 26512241; 26611588; 26679279; 26697092; 26747171; 26752236 DR0038 DRUG__ID DR0038 DR0038 DRUGNAME INS-260 DR0038 PUBCMCID 176 DR0038 TTDRUGID D0F1LZ DR0038 DFORMULA C2H4O2 DR0038 INCHIKEY QTBSBXVTEAMEQO-UHFFFAOYSA-N DR0038 DRUINCHI InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4) DR0038 CASMILES CC(=O)O DR0038 CAS__NUM CAS 64-19-7 DR0038 CHEBINUM 15366 DR0039 DRUG__ID DR0039 DR0039 DRUGNAME Acetohexamide DR0039 PUBCMCID 1989 DR0039 TTDRUGID D07WFK DR0039 DFORMULA C15H20N2O4S DR0039 INCHIKEY VGZSUPCWNCWDAN-UHFFFAOYSA-N DR0039 DRUINCHI 1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19) DR0039 CASMILES CC(=O)NC1=CC=C(C=C1)O DR0039 CAS__NUM CAS 968-81-0 DR0039 CHEBINUM 28052 DR0039 PUBCMSID 9025; 4560832; 7847286; 8144406; 8151368; 10321105; 11110689; 11112460; 11466083; 11467203; 11485866; 15347370; 17390067; 17404651; 24278077; 26752942; 29221177; 46505821; 47216939; 47440426; 47662475; 47810929; 48185152; 48413134; 48415505; 48422764; 48424779; 49698323; 49856121; 50105548; 50105549; 50271749; 53777194; 56463352; 57321086; 57653828; 85083217; 85230885; 85787831; 90341130; 92125175; 92303511; 92307991; 99222786; 103590218; 103913586; 104171099; 104299291; 121360822; 121362846 DR0041 DRUG__ID DR0041 DR0041 DRUGNAME Acetylcholine chloride DR0041 PUBCMCID 6060 DR0041 TTDRUGID D0Q9HF DR0041 DFORMULA C7H16ClNO2 DR0041 INCHIKEY JUGOREOARAHOCO-UHFFFAOYSA-M DR0041 DRUINCHI 1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1 DR0041 CASMILES CC(=O)OCC[N+](C)(C)C.[Cl-] DR0041 CAS__NUM CAS 60-31-1 DR0041 CHEBINUM 2417 DR0043 DRUG__ID DR0043 DR0043 DRUGNAME Acriflavinium chloride DR0043 PUBCMCID 6842 DR0043 DFORMULA C14H14ClN3 DR0043 INCHIKEY KKAJSJJFBSOMGS-UHFFFAOYSA-N DR0043 DRUINCHI 1S/C14H13N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;/h2-8H,1H3,(H3,15,16);1H DR0043 CASMILES C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.[Cl-] DR0043 CAS__NUM CAS 86-40-8 DR0043 CHEBINUM 383703 DR0044 DRUG__ID DR0044 DR0044 DRUGNAME MGI-114 DR0044 PUBCMCID 148189 DR0044 DFORMULA C15H18O3 DR0044 INCHIKEY NICJCIQSJJKZAH-AWEZNQCLSA-N DR0044 DRUINCHI 1S/C15H18O3/c1-8-6-10-12(11(8)7-16)9(2)15(4-5-15)14(3,18)13(10)17/h6,16,18H,4-5,7H2,1-3H3/t14-/m0/s1 DR0044 CASMILES CC1=C(C2=C(C3(CC3)C(C(=O)C2=C1)(C)O)C)CO DR0044 CAS__NUM CAS 158440-71-2 DR0044 CHEBINUM 135002 DR0045 DRUG__ID DR0045 DR0045 DRUGNAME Ademetionine DR0045 PUBCMCID 34756 DR0045 TTDRUGID D0U3YU DR0045 DFORMULA C15H23N6O5S+ DR0045 INCHIKEY MEFKEPWMEQBLKI-AIRLBKTGSA-O DR0045 DRUINCHI 1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27?/m0/s1 DR0045 CASMILES C[S+](CCC(C(=O)O)N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O DR0045 CAS__NUM CAS 485-80-3 DR0045 CHEBINUM 15414 DR0045 PUBCMSID 584705; 584819; 585530; 585647; 819953; 820416; 822522; 827273; 827276; 827431; 827923; 827984; 828011; 828013; 828789; 830207; 831396; 831453; 831806; 831932; 832635; 833168; 834388; 834611; 834731; 838314; 838315; 6435774; 6435784; 8017006; 8018772; 8024112; 8028062; 8145813; 8147098; 8147099; 8173805; 10318367; 10318534; 10322395; 10322405; 11532836; 11538426; 14709946; 14716693; 16477986; 17404326; 17422915; 17422968; 17422983 DR0046 DRUG__ID DR0046 DR0046 DRUGNAME Adenosine DR0046 PUBCMCID 60961 DR0046 TTDRUGID D06IAR DR0046 DFORMULA C10H13N5O4 DR0046 INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N DR0046 DRUINCHI 1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 DR0046 CASMILES C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N DR0046 CAS__NUM CAS 58-61-7 DR0046 CHEBINUM 16335 DR0046 PUBCMSID 2103; 3512; 584484; 584490; 585862; 586357; 597013; 819854; 821994; 823447; 825728; 826920; 828107; 828519; 829493; 830178; 830391; 833174; 833907; 836875; 837192; 855078; 855932; 3136392; 7847113; 7885717; 7978645; 8023217; 8024149; 8027268; 8143428; 8187141; 10318629; 11110168; 11120317; 11120805; 11121293; 11371396; 11484930; 11489073; 11490104; 11532406; 11532673; 11537606; 12090919; 14716094; 14774851; 14799162; 22394812; 24277685 DR0047 DRUG__ID DR0047 DR0047 DRUGNAME Adenosine phosphate DR0047 PUBCMCID 6083 DR0047 TTDRUGID D06ACW DR0047 DFORMULA C10H14N5O7P DR0047 INCHIKEY UDMBCSSLTHHNCD-KQYNXXCUSA-N DR0047 DRUINCHI 1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 DR0047 CASMILES C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N DR0047 CAS__NUM CAS 61-19-8 DR0047 CHEBINUM 16027 DR0047 PUBCMSID 3322; 583720; 583923; 584440; 584442; 584452; 584455; 584487; 584571; 585427; 610407; 819401; 819945; 819947; 819949; 820210; 820387; 820906; 821396; 823646; 823841; 824145; 824148; 826522; 826525; 826568; 826569; 827049; 827589; 827693; 827918; 828361; 828365; 828366; 828368; 828899; 830720; 830875; 832127; 832329; 832477; 832865; 833689; 834616; 836112; 837134; 838177; 838245; 838945; 841545 DR0048 DRUG__ID DR0048 DR0048 DRUGNAME Adinazolam DR0048 PUBCMCID 37632 DR0048 TTDRUGID D0E7FS DR0048 DFORMULA C19H18ClN5 DR0048 INCHIKEY GJSLOMWRLALDCT-UHFFFAOYSA-N DR0048 DRUINCHI 1S/C19H18ClN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)18/h3-10H,11-12H2,1-2H3 DR0048 CASMILES CN(C)CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4 DR0048 CAS__NUM CAS 37115-32-5 DR0048 CHEBINUM 251412 DR0048 PUBCMSID 8175130; 12013114; 14852028; 17396928; 34678912; 46509054; 48179686; 48404442; 50064737; 50874613; 57312080; 85444484; 103304585; 104327089; 117469085; 127963782; 134223599; 134338488; 134999582; 136350410; 137005585; 160963891; 179150397; 184545903; 198955325; 224774472; 226421674; 250138438; 252344773 DR0049 DRUG__ID DR0049 DR0049 DRUGNAME Adriamycin DR0049 PUBCMCID 443939 DR0049 TTDRUGID D0F4KU DR0049 DFORMULA C27H30ClNO11 DR0049 INCHIKEY MWWSFMDVAYGXBV-RUELKSSGSA-N DR0049 DRUINCHI 1S/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10-,13-,15-,17-,22+,27-;/m0./s1 DR0049 CASMILES CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.Cl DR0049 CAS__NUM CAS 23214-92-8 DR0049 CHEBINUM 28748 DR0049 PUBCMSID 855944; 7848338; 7964547; 7964548; 7964549; 7964550; 7964551; 10299430; 10321288; 10321987; 11110522; 11110525; 11110526; 14764476; 14788917; 17389199; 24868204; 24893465; 26719671; 36887087; 46386781; 48422781; 48424796; 49681823; 49718188; 50126368; 57404558; 57650234; 77622457; 81092799; 91696143; 92125422; 103913768; 104234257; 104253167; 104630990; 113234498; 118048474; 124658966; 124757082; 124766325; 125163886; 125299286; 127319639; 127319640; 127319641; 127319642; 127319643; 127319644; 127319645 DR0052 DRUG__ID DR0052 DR0052 DRUGNAME Agmatine DR0052 PUBCMCID 199 DR0052 TTDRUGID D0K7CV DR0052 DFORMULA C5H14N4 DR0052 INCHIKEY QYPPJABKJHAVHS-UHFFFAOYSA-N DR0052 DRUINCHI 1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9) DR0052 CASMILES C(CCN=C(N)N)CN DR0052 CAS__NUM CAS 306-60-5 DR0052 CHEBINUM 17431 DR0052 PUBCMSID 3479; 105761; 3134912; 6490744; 7885760; 7980025; 8144144; 11110769; 11113734; 11341771; 11361954; 11364550; 11364959;11367112; 11367521; 11369674; 11370083; 11373122; 11375630; 11375683; 11377836; 11378254; 11485351; 11487356; 11489424; 11493719; 11495470; 11537788; 15194512; 24438576; 26708719; 26708826; 26751919;26751920; 47662500; 47959962; 47959963; 49655355; 49655358; 49746689; 49974254; 50067025; 50104596; 51021788; 56312408; 56314364; 57320033; 85164909; 87326004; 88835865 DR0053 DRUG__ID DR0053 DR0053 DRUGNAME Agomelatine DR0053 PUBCMCID 82148 DR0053 TTDRUGID D0Y8UB DR0053 DFORMULA C15H17NO2 DR0053 INCHIKEY YJYPHIXNFHFHND-UHFFFAOYSA-N DR0053 DRUINCHI 1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17) DR0053 CASMILES CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC DR0053 CAS__NUM CAS 138112-76-2 DR0053 CHEBINUM 134990 DR0053 PUBCMSID 7980554; 10219207; 12014766; 15121987; 17396749; 43137308; 47805575; 48029689; 48253997; 48329090; 49859801; 50597493; 53789947; 57333351; 58107135; 85175740; 85209276; 92720043; 99437046; 103171284; 103943227; 104379867; 109692881; 123121579; 124757110; 125163914; 125333716; 126620366; 126648120; 126667094; 126728359; 129806556; 131480735; 134338989; 135037533; 135588690; 135649906; 136340261; 136367368; 136368118; 136991142; 137228670; 137232583; 142374863; 144115558; 144160950; 152225873; 152258747; 152344557; 160647592 DR0054 DRUG__ID DR0054 DR0054 DRUGNAME Ajmaline DR0054 PUBCMCID 6100671 DR0054 TTDRUGID D02GUG DR0054 DFORMULA C20H26N2O2 DR0054 INCHIKEY CJDRUOGAGYHKKD-GNTWRGKJSA-N DR0054 DRUINCHI 1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10?,11?,14?,15?,16?,17?,18-,19?,20?/m1/s1 DR0054 CASMILES CCC1C2CC3C4C5(CC(C2C5O)N3C1O)C6=CC=CC=C6N4C DR0054 CAS__NUM CAS 4360-12-7 DR0055 DRUG__ID DR0055 DR0055 DRUGNAME Albendazole DR0055 PUBCMCID 2082 DR0055 TTDRUGID D00KVO DR0055 DFORMULA C12H15N3O2S DR0055 INCHIKEY HXHWSAZORRCQMX-UHFFFAOYSA-N DR0055 DRUINCHI 1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16) DR0055 CASMILES CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OC DR0055 CAS__NUM CAS 54965-21-8 DR0055 CHEBINUM 16664 DR0055 PUBCMSID 4909; 129996; 603014; 855809; 3154181; 5010055; 5590332; 6318023; 7847202; 7978654; 8144956; 8150054; 8151416; 10321635;10589336; 11112790; 11242363; 11335879; 11361118; 11364426; 11366988; 11369550; 11373940; 11377712; 11462090; 11466275; 11467395; 11485989; 11492016; 11495346; 11521860; 11528637; 12014008; 14823901;16704067; 24890894; 25623359; 25751296; 26612535; 26679872; 26746999; 26747000; 26751522; 29221262; 46506472; 47216788; 47291149; 47296872; 47296873; 47742180 DR0056 DRUG__ID DR0056 DR0056 DRUGNAME Alclometasone DR0056 PUBCMCID 5311000 DR0056 TTDRUGID D0F1EX DR0056 DFORMULA C22H29ClO5 DR0056 INCHIKEY FJXOGVLKCZQRDN-PHCHRAKRSA-N DR0056 DRUINCHI 1S/C22H29ClO5/c1-11-6-14-18-15(23)8-12-7-13(25)4-5-20(12,2)19(18)16(26)9-21(14,3)22(11,28)17(27)10-24/h4-5,7,11,14-16,18-19,24,26,28H,6,8-10H2,1-3H3/t11-,14+,15-,16+,18-,19+,20+,21+,22+/m1/s1 DR0056 CASMILES CC1CC2C3C(CC4=CC(=O)C=CC4(C3C(CC2(C1(C(=O)CO)O)C)O)C)Cl DR0056 CAS__NUM CAS 66734-13-2 DR0056 CHEBINUM 53776 DR0056 PUBCMSID 7978656; 11056200; 15451271; 39340733; 46508296; 51071561; 51091455; 87246635; 114155019; 124963548; 135199337; 135834189; 137019440; 137234003; 141792513; 162258587; 164838234; 175265310; 180371900; 226396178; 252562151 DR0057 DRUG__ID DR0057 DR0057 DRUGNAME BRN-3224996 DR0057 PUBCMCID 5839 DR0057 TTDRUGID D0I1LH DR0057 DFORMULA C21H28O5 DR0057 INCHIKEY PQSUYGKTWSAVDQ-ZVIOFETBSA-N DR0057 DRUINCHI 1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1 DR0057 CASMILES CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C=O)O DR0057 CAS__NUM CAS 52-39-1 DR0057 CHEBINUM 27584 DR0057 PUBCMSID 4910; 115922; 625873; 841789; 3139122; 7885975; 7978658; 8144488; 8153606; 12146619; 14828271; 24702310; 24891458; 26757653; 29224871; 46505770; 48415527; 48421925; 50019585; 53789139; 56310979; 56311296; 56311417; 56312971; 56313892; 56314372; 56320629; 56320630; 57322992; 57392512; 77125022; 85845809; 87219227; 93165963; 103174056; 104310406; 123120918; 124800418; 126666510; 128954713; 134338558; 134972910; 135651432; 137048176; 141345016; 160967623; 163076031; 172097284; 175268093; 178100450 DR0059 DRUG__ID DR0059 DR0059 DRUGNAME Alectinib hydrochloride DR0059 PUBCMCID 53239799 DR0059 TTDRUGID D0U3SY DR0059 DFORMULA C30H35ClN4O2 DR0059 INCHIKEY GYABBVHSRIHYJR-UHFFFAOYSA-N DR0059 DRUINCHI 1S/C30H34N4O2.ClH/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29;/h5-6,15-17,21,32H,4,7-14H2,1-3H3;1H DR0059 CASMILES CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C.Cl DR0059 CAS__NUM CAS 1256589-74-8 DR0059 CHEBINUM 62268 DR0060 DRUG__ID DR0060 DR0060 DRUGNAME Alfacalcidol DR0060 PUBCMCID 5282181 DR0060 DFORMULA C27H44O2 DR0060 INCHIKEY OFHCOWSQAMBJIW-AVJTYSNKSA-N DR0060 DRUINCHI 1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,27-/m1/s1 DR0060 CASMILES CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C DR0060 CAS__NUM CAS 41294-56-8 DR0060 CHEBINUM 31186 DR0061 DRUG__ID DR0061 DR0061 DRUGNAME Alfentanil DR0061 PUBCMCID 51263 DR0061 TTDRUGID D0G5QB DR0061 DFORMULA C21H32N6O3 DR0061 INCHIKEY IDBPHNDTYPBSNI-UHFFFAOYSA-N DR0061 DRUINCHI 1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3 DR0061 CASMILES CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C(=O)N(N=N3)CC)COC DR0061 CAS__NUM CAS 71195-58-9 DR0061 CHEBINUM 2569 DR0061 PUBCMSID 10205; 6822617; 7978661; 8181985; 14904607; 34715715; 46505618; 48415530; 50020238; 50612502; 51091461; 53788617; 57313372; 85209901; 87246411; 103188878; 103922046; 104296815; 117591885; 124953714; 124953715; 126419214; 127331480; 127331481; 127331482; 127331483; 127331484; 128150604; 134338379; 135010258; 137003164; 139212444; 160964144; 175268599; 175443466; 178103685; 179116971; 198993182; 223886469; 226414154; 250113133; 251961664; 252658644 DR0063 DRUG__ID DR0063 DR0063 DRUGNAME Alfuzosin hydrochloride DR0063 PUBCMCID 71764 DR0063 TTDRUGID D0H1YQ DR0063 DFORMULA C19H28ClN5O4 DR0063 INCHIKEY YTNKWDJILNVLGX-UHFFFAOYSA-N DR0063 DRUINCHI 1S/C19H27N5O4.ClH/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19;/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23);1H DR0063 CASMILES CN(CCCNC(=O)C1CCCO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC.Cl DR0063 CAS__NUM CAS 81403-80-7 DR0063 CHEBINUM 32286 DR0063 PUBCMSID 7848755; 8194817; 11528652; 12012888; 14758527; 43128042; 57318350; 78268148; 92125289; 92719118; 99004050; 99437262; 103679622; 103838871; 103914210; 104351250; 117539890; 124757231; 125164035; 125334025; 126621070; 126670423; 134223983; 134339185; 135029857; 135692140; 135698308; 136368114; 144115579; 144204252; 152106189; 162037591; 162179024; 163132546; 163564178; 164814685; 170465022; 175611078; 196110834; 198992200; 203355613; 210279324; 210281647; 223401659; 224081319; 226540787; 251912085; 251915158; 252157178; 252359239 DR0065 DRUG__ID DR0065 DR0065 DRUGNAME Aliskiren DR0065 PUBCMCID 5493444 DR0065 TTDRUGID D03SVX DR0065 DFORMULA C30H53N3O6 DR0065 INCHIKEY UXOWGYHJODZGMF-QORCZRPOSA-N DR0065 DRUINCHI 1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1 DR0065 CASMILES CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N DR0065 CAS__NUM CAS 173334-57-1 DR0065 CHEBINUM 601027 DR0065 PUBCMSID 7980347; 14763777; 14886049; 17397362; 39475202; 46507474; 46509572; 51009124; 85176969; 87324641; 96099933; 103615727; 104178818; 114001043; 124897540; 126666078; 129435102; 134338459; 135916045; 137002989; 137227121; 140385193; 151991991; 152028160; 152258402; 160647239; 160964589; 162181387; 174006809; 175268617; 176485078; 177748803; 178101514; 179150066; 185997039; 187032771; 223393380; 223404348; 223435288; 223661693; 223720068; 224032552; 226775246; 242591596; 251916704; 251917943; 251970968; 252213891 DR0066 DRUG__ID DR0066 DR0066 DRUGNAME Allopurinol DR0066 PUBCMCID 135401907 DR0066 TTDRUGID D04KYY DR0066 DFORMULA C5H4N4O DR0066 INCHIKEY OFCNXPDARWKPPY-UHFFFAOYSA-N DR0066 DRUINCHI 1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10) DR0066 CASMILES C1=NNC2=C1C(=O)NC=N2 DR0066 CAS__NUM CAS 315-30-0 DR0066 CHEBINUM 40279 DR0068 DRUG__ID DR0068 DR0068 DRUGNAME BRN-3148038 DR0068 PUBCMCID 235905 DR0068 TTDRUGID D07PNC DR0068 DFORMULA C21H32O DR0068 INCHIKEY ATXHVCQZZJYMCF-XUDSTZEESA-N DR0068 DRUINCHI 1S/C21H32O/c1-3-12-21(22)14-11-19-18-9-8-15-6-4-5-7-16(15)17(18)10-13-20(19,21)2/h3,6,16-19,22H,1,4-5,7-14H2,2H3/t16-,17+,18+,19-,20-,21-/m0/s1 DR0068 CASMILES CC12CCC3C(C1CCC2(CC=C)O)CCC4=CCCCC34 DR0068 CAS__NUM CAS 432-60-0 DR0068 CHEBINUM 31189 DR0068 PUBCMSID 94016; 583200; 7848437; 9386954; 24702337; 30035228; 46506946; 48415534; 49832963; 49965886; 50767857; 53790158; 57400271;71840264; 103811032; 104460203; 117557152; 134974162; 135805927; 137003638; 140185530; 143492475; 144205271; 152104357; 152164232; 152235876; 160964699; 163624663; 164815920; 172089080; 179316824; 184552229; 184812038; 198956599; 206246428; 223441641; 226666480; 242588146; 249865152 DR0070 DRUG__ID DR0070 DR0070 DRUGNAME Almotriptan malate DR0070 PUBCMCID 123607 DR0070 DFORMULA C21H31N3O7S DR0070 INCHIKEY QHATUKWEVNMHRY-UHFFFAOYSA-N DR0070 DRUINCHI 1S/C17H25N3O2S.C4H6O5/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20;5-2(4(8)9)1-3(6)7/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3;2,5H,1H2,(H,6,7)(H,8,9) DR0070 CASMILES CN(C)CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)N3CCCC3.C(C(C(=O)O)O)C(=O)O DR0070 CAS__NUM CAS 181183-52-8 DR0070 CHEBINUM 53781 DR0071 DRUG__ID DR0071 DR0071 DRUGNAME Alogliptin DR0071 PUBCMCID 11450633 DR0071 TTDRUGID D0NJ5H DR0071 DFORMULA C18H21N5O2 DR0071 INCHIKEY ZSBOMTDTBDDKMP-OAHLLOKOSA-N DR0071 DRUINCHI 1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1 DR0071 CASMILES CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCCC(C3)N DR0071 CAS__NUM CAS 850649-61-5 DR0071 CHEBINUM 72323 DR0071 PUBCMSID 16549582; 23591487; 42529629; 46516529; 57376680; 79634689; 87544227; 93300285; 103516453; 126665588; 134339050;135207592; 137147468; 140812881; 160962873; 162009811; 162253849; 164193948; 164835224; 175265639; 175427056; 178102937; 185988964; 210279140; 210281462; 223574691; 223683116; 224085697; 226492557; 241154940; 244648029; 249810610; 251971115; 252214702; 252553765; 252671739 DR0073 DRUG__ID DR0073 DR0073 DRUGNAME Alosetron hydrochloride DR0073 PUBCMCID 60758 DR0073 TTDRUGID D06GKN DR0073 DFORMULA C17H19ClN4O DR0073 INCHIKEY FNYQZOVOVDSGJH-UHFFFAOYSA-N DR0073 DRUINCHI 1S/C17H18N4O.ClH/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2;/h3-6,10H,7-9H2,1-2H3,(H,18,19);1H DR0073 CASMILES CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl DR0073 CAS__NUM CAS 122852-69-1 DR0073 CHEBINUM 53783 DR0074 DRUG__ID DR0074 DR0074 DRUGNAME Alpelisib DR0074 PUBCMCID 56649450 DR0074 TTDRUGID D0W7HE DR0074 DFORMULA C19H22F3N5O2S DR0074 INCHIKEY STUWGJZDJHPWGZ-LBPRGKRZSA-N DR0074 DRUINCHI 1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1 DR0074 CASMILES CC1=C(SC(=N1)NC(=O)N2CCCC2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F DR0074 CAS__NUM CAS 1217486-61-7 DR0074 CHEBINUM 93752 DR0074 PUBCMSID 134426754; 140722288; 152159632; 152255399; 152258655; 160647491; 162012035; 163643246; 164041693; 172918746; 174486688; 174861534; 175448776; 176251621; 185965275; 198967672; 215785718; 223382725; 223626250; 225848216; 228076739; 244202215; 249565638; 252214078; 252451646; 252470926 DR0075 DRUG__ID DR0075 DR0075 DRUGNAME Alprazolam DR0075 PUBCMCID 2118 DR0075 TTDRUGID D0L9GG DR0075 DFORMULA C17H13ClN4 DR0075 INCHIKEY VREFGVBLTWBCJP-UHFFFAOYSA-N DR0075 DRUINCHI 1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3 DR0075 CASMILES CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4 DR0075 CAS__NUM CAS 28981-97-7 DR0075 CHEBINUM 2611 DR0075 PUBCMSID 9035; 866237; 7403853; 7847292; 7849651; 7978675; 8151436; 10517236; 12013413; 14742608; 14800856; 22396017; 24882050; 24891103; 24891366; 26719699; 29215419; 29215420; 29221298; 46386679; 46507078; 48415537; 50057265; 50823025; 53790970; 56313723; 57321151; 57651813; 57653873; 81093308; 92308240; 92716916; 93166633; 93167168; 93620403; 103189284; 103916140; 104299658; 109613253; 117786302; 124658860; 125347118; 126622623; 126651409; 126723170; 129515347; 131309066; 134221861; 134337553; 134997022 DR0076 DRUG__ID DR0076 DR0076 DRUGNAME Alprenolol DR0076 PUBCMCID 2119 DR0076 TTDRUGID D01VAB DR0076 DFORMULA C15H23NO2 DR0076 INCHIKEY PAZJSJFMUHDSTF-UHFFFAOYSA-N DR0076 DRUINCHI 1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3 DR0076 CASMILES CC(C)NCC(COC1=CC=CC=C1CC=C)O DR0076 CAS__NUM CAS 13655-52-2 DR0076 CHEBINUM 31191 DR0076 PUBCMSID 7403854; 8151437; 10507180; 11335190; 11360429; 11363062; 11365624; 11368186; 11371971; 11374790; 11376348;11461401; 11466278; 11467398; 11485563; 11485995; 11489630; 11490881; 11493030; 11493982; 11534311; 15044941; 26752306; 29221299; 46506033; 47290959; 47440065; 47736281; 47810579; 47810580; 47885235;48034925; 48034926; 48184817; 49698847; 50022618; 50105225; 50105226; 51091495; 56413052; 57321152; 80044758; 85209662; 85788463; 90340777; 92308802; 96099927; 103164453; 103852444; 104171111 DR0079 DRUG__ID DR0079 DR0079 DRUGNAME HMR-1275 DR0079 PUBCMCID 5287969 DR0079 TTDRUGID D0LF1U DR0079 DFORMULA C21H20ClNO5 DR0079 INCHIKEY BIIVYFLTOXDAOV-YVEFUNNKSA-N DR0079 DRUINCHI 1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1 DR0079 CASMILES CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O DR0079 CAS__NUM CAS 131740-09-5 DR0079 CHEBINUM 47344 DR0079 PUBCMSID 606623; 830646; 837792; 7886735; 8035270; 11041362; 14757147; 39320467; 46391640; 46391762; 46507266; 49854007; 50064452; 51029203; 53790160; 57359202; 85177022; 99437041; 104234154; 113870851; 124757102; 125163906; 126671493; 126731324; 127338259; 127338260; 127338261; 127338262; 127338263; 131480733; 134338802; 135064370; 135626623; 136085824; 136367366; 136920327; 137002692; 142106966; 152258050; 160646888; 160966614; 162011554; 164786749; 172818888; 172913786; 175437711; 176236286; 177748773; 178102307; 180371632 DR0080 DRUG__ID DR0080 DR0080 DRUGNAME Ambrisentan DR0080 PUBCMCID 6918493 DR0080 TTDRUGID D0X5ZI DR0080 DFORMULA C22H22N2O4 DR0080 INCHIKEY OUJTZYPIHDYQMC-LJQANCHMSA-N DR0080 DRUINCHI 1S/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1 DR0080 CASMILES CC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C DR0080 CAS__NUM CAS 177036-94-1 DR0080 CHEBINUM 135949 DR0080 PUBCMSID 12015371; 14779987; 17194924; 43529863; 50551569; 51091419; 53787770; 57371956; 93309673; 103307060; 104035299; 114788055; 118855302; 126616865; 126651844; 131302629; 134338642; 135692418; 137237404; 139988399; 143497715; 144205520; 152133959; 152238501; 152258462; 160647297; 160826914; 162011508; 162172038; 163093066; 163387054; 164824132; 170465143; 174007223; 175267375; 175426501; 178100778; 179116973; 185986582; 187071933; 196107821; 198977886; 198991664; 204430246; 211534802; 223375980; 223532574; 223704800; 224518792; 226395806 DR0081 DRUG__ID DR0081 DR0081 DRUGNAME EXR-202 DR0081 PUBCMCID 108013 DR0081 TTDRUGID D03DSR DR0081 DFORMULA C13H19Br2ClN2O DR0081 INCHIKEY QNVKOSLOVOTXKF-UHFFFAOYSA-N DR0081 DRUINCHI 1S/C13H18Br2N2O.ClH/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10;/h5-6,10-11,17-18H,1-4,7,16H2;1H DR0081 CASMILES C1CC(CCC1NCC2=C(C(=CC(=C2)Br)Br)N)O.Cl DR0081 CAS__NUM CAS 18683-91-5 DR0081 CHEBINUM 31198 DR0082 DRUG__ID DR0082 DR0082 DRUGNAME Amcinonide DR0082 PUBCMCID 443958 DR0082 TTDRUGID D06XHC DR0082 DFORMULA C28H35FO7 DR0082 INCHIKEY ILKJAFIWWBXGDU-MOGDOJJUSA-N DR0082 DRUINCHI 1S/C28H35FO7/c1-16(30)34-15-22(33)28-23(35-26(36-28)9-4-5-10-26)13-20-19-7-6-17-12-18(31)8-11-24(17,2)27(19,29)21(32)14-25(20,28)3/h8,11-12,19-21,23,32H,4-7,9-10,13-15H2,1-3H3/t19-,20-,21-,23+,24-,25-,27-,28+/m0/s1 DR0082 CASMILES CC(=O)OCC(=O)C12C(CC3C1(CC(C4(C3CCC5=CC(=O)C=CC54C)F)O)C)OC6(O2)CCCC6 DR0082 CAS__NUM CAS 51022-69-6 DR0082 CHEBINUM 31199 DR0082 PUBCMSID 855515; 7848450; 7978681; 10299444; 15084976; 24890657; 36887100; 46506705; 50926096; 56352910; 56422434; 56423154;57404572; 57653835; 71825482; 92712334; 93576974; 99368349; 103770715; 104631033; 124801285; 126625654; 126656779; 134338306; 135001553; 135653543; 136014083; 137005249; 138911215; 139999915; 144204964; 152100586; 160963636; 162198485; 175266120; 175612165; 178103639; 179116554; 226396660; 241090273; 250133950; 252401183 DR0083 DRUG__ID DR0083 DR0083 DRUGNAME ASP-2151 DR0083 PUBCMCID 11397521 DR0083 TTDRUGID D07PXQ DR0083 DFORMULA C24H26N4O5S DR0083 INCHIKEY MNHNIVNAFBSLLX-UHFFFAOYSA-N DR0083 DRUINCHI 1S/C24H26N4O5S/c1-16-4-3-5-17(2)22(16)28(24(30)19-10-12-34(31,32)13-11-19)14-21(29)26-20-8-6-18(7-9-20)23-25-15-33-27-23/h3-9,15,19H,10-14H2,1-2H3,(H,26,29) DR0083 CASMILES CC1=C(C(=CC=C1)C)N(CC(=O)NC2=CC=C(C=C2)C3=NOC=N3)C(=O)C4CCS(=O)(=O)CC4 DR0083 CAS__NUM CAS 841301-32-4 DR0083 PUBCMSID 16492396; 23547964; 42476682; 78713204; 103047074; 135263375; 198962754; 228365449; 245889379 DR0085 DRUG__ID DR0085 DR0085 DRUGNAME Amifostine DR0085 PUBCMCID 148139 DR0085 TTDRUGID D06CIE DR0085 DFORMULA C5H21N2O6PS DR0085 INCHIKEY TXQPXJKRNHJWAX-UHFFFAOYSA-N DR0085 DRUINCHI 1S/C5H15N2O3PS.3H2O/c6-2-1-3-7-4-5-12-11(8,9)10;;;/h7H,1-6H2,(H2,8,9,10);3*1H2 DR0085 CASMILES P(=O)(SCCNCCCN)(O)O DR0085 CAS__NUM CAS 20537-88-6 DR0086 DRUG__ID DR0086 DR0086 DRUGNAME Aminobenzoic acid DR0086 PUBCMCID 978 DR0086 DFORMULA C7H7NO2 DR0086 INCHIKEY ALYNCZNDIQEVRV-UHFFFAOYSA-N DR0086 DRUINCHI 1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10) DR0086 CASMILES C1=CC(=CC=C1C(=O)O)N DR0086 CAS__NUM CAS 150-13-0 DR0086 CHEBINUM 30753 DR0087 DRUG__ID DR0087 DR0087 DRUGNAME Aminobutyric acid DR0087 PUBCMCID 119 DR0087 TTDRUGID D0C9XA DR0087 DFORMULA C4H9NO2 DR0087 INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N DR0087 DRUINCHI 1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) DR0087 CASMILES C(CC(=O)O)CN DR0087 CAS__NUM CAS 56-12-2 DR0087 CHEBINUM 16865 DR0087 PUBCMSID 3628; 87901; 90737; 99151; 102735; 588080; 841798; 3131894; 5006226; 7847126; 7885654; 7979337;8138105; 8138144; 8138251; 8138279; 8139983; 8145275; 8149630; 8150467; 10527343; 11110722; 11113457; 11335791; 11361030; 11362843; 11365405; 11367967; 11372289; 11374436; 11376129; 11462002; 11484732; 11489024; 11491200; 11492624; 11493863; 14818111; 17404570; 24278167; 24424261; 24424263; 24438498; 24701168; 24715057; 24891025; 25623205; 26512225; 26612021; 26679211 DR0088 DRUG__ID DR0088 DR0088 DRUGNAME Aminolevulinic acid DR0088 PUBCMCID 137 DR0088 TTDRUGID D0Y7ZD DR0088 DFORMULA C5H9NO3 DR0088 INCHIKEY ZGXJTSGNIOSYLO-UHFFFAOYSA-N DR0088 DRUINCHI 1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9) DR0088 CASMILES C(CC(=O)O)C(=O)CN DR0088 CAS__NUM CAS 106-60-5 DR0088 CHEBINUM 17549 DR0088 PUBCMSID 3719; 841472; 5427092; 8144107; 8150474; 11342129; 11362312; 11364476; 11367038; 11369600; 11372726; 11374315; 11377762; 11485579; 11487714; 11489478; 11491469; 11492433; 11495396; 15170674; 24438516; 46506856; 47589325; 47662632; 50002793; 50122683; 51031867; 51091887; 53789366; 56320695; 56322917; 57319985; 85083671; 85291378; 92298402; 92712186; 93166418; 99451455; 103182993; 104098261; 104170099; 104293958; 108134724; 118693344; 121362447; 124799829; 125662954; 126523837; 126579879; 126630164 DR0089 DRUG__ID DR0089 DR0089 DRUGNAME Aminophenazone DR0089 PUBCMCID 6009 DR0089 DFORMULA C13H17N3O DR0089 INCHIKEY RMMXTBMQSGEXHJ-UHFFFAOYSA-N DR0089 DRUINCHI 1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3 DR0089 CASMILES CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C DR0089 CAS__NUM CAS 58-15-1 DR0089 CHEBINUM 160246 DR0090 DRUG__ID DR0090 DR0090 DRUGNAME Aminophylline DR0090 PUBCMCID 9433 DR0090 TTDRUGID D03TYI DR0090 DFORMULA C16H24N10O4 DR0090 INCHIKEY FQPFAHBPWDRTLU-UHFFFAOYSA-N DR0090 DRUINCHI 1S/2C7H8N4O2.C2H8N2/c2*1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h2*3H,1-2H3,(H,8,9);1-4H2 DR0090 CASMILES CN1C2=C(C(=O)N(C1=O)C)NC=N2.CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CN)N DR0090 CAS__NUM CAS 317-34-0 DR0090 CHEBINUM 2659 DR0093 DRUG__ID DR0093 DR0093 DRUGNAME Amiodarone hydrochloride DR0093 PUBCMCID 441325 DR0093 TTDRUGID D0L5WM DR0093 DFORMULA C25H30ClI2NO3 DR0093 INCHIKEY ITPDYQOUSLNIHG-UHFFFAOYSA-N DR0093 DRUINCHI 1S/C25H29I2NO3.ClH/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3;/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3;1H DR0093 CASMILES CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I.Cl DR0093 CAS__NUM CAS 19774-82-4 DR0093 CHEBINUM 2664 DR0095 DRUG__ID DR0095 DR0095 DRUGNAME Amitriptyline hydrochloride DR0095 PUBCMCID 11065 DR0095 TTDRUGID D0Y5UG DR0095 DFORMULA C20H24ClN DR0095 INCHIKEY KFYRPLNVJVHZGT-UHFFFAOYSA-N DR0095 DRUINCHI 1S/C20H23N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-12H,7,13-15H2,1-2H3;1H DR0095 CASMILES CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.Cl DR0095 CAS__NUM CAS 549-18-8 DR0095 CHEBINUM 2667 DR0098 DRUG__ID DR0098 DR0098 DRUGNAME Amlodipine besylate DR0098 PUBCMCID 60496 DR0098 TTDRUGID D0H7WA DR0098 DFORMULA C26H31ClN2O8S DR0098 INCHIKEY ZPBWCRDSRKPIDG-UHFFFAOYSA-N DR0098 DRUINCHI 1S/C20H25ClN2O5.C6H6O3S/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;7-10(8,9)6-4-2-1-3-5-6/h5-8,17,23H,4,9-11,22H2,1-3H3;1-5H,(H,7,8,9) DR0098 CASMILES CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.C1=CC=C(C=C1)S(=O)(=O)O DR0098 CAS__NUM CAS 111470-99-6 DR0098 CHEBINUM 2669 DR0098 PUBCMSID 7847681; 8186890; 11363467; 11366029; 11368591; 11376753; 11494387; 11528718; 14837689; 24890999; 26612823; 26681028; 26749852; 43117888; 49830358; 56320988; 56423826; 57314022; 74532315; 85174483; 87246412; 88802066; 92308178; 92711324; 103770385; 104320906; 105807462; 117633239; 118048672; 118843684; 119526885; 124637367; 124757512; 124800074; 124801083; 125164316; 125307717; 125337849; 126630976; 126657421; 126665382; 129990383; 131294547; 135016978; 135692287; 135698252; 137241534; 144075783; 144115369; 144205078 DR0099 DRUG__ID DR0099 DR0099 DRUGNAME Amlodipine maleate DR0099 PUBCMCID 6435922 DR0099 TTDRUGID D08JIV DR0099 DFORMULA C24H29ClN2O9 DR0099 INCHIKEY TZNOWAJJWCGILX-BTJKTKAUSA-N DR0099 DRUINCHI 1S/C20H25ClN2O5.C4H4O4/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;5-3(6)1-2-4(7)8/h5-8,17,23H,4,9-11,22H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1- DR0099 CASMILES CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.C(=CC(=O)O)C(=O)O DR0099 CAS__NUM CAS 88150-47-4 DR0100 DRUG__ID DR0100 DR0100 DRUGNAME Ammonia DR0100 PUBCMCID 222 DR0100 TTDRUGID D0FT7Y DR0100 DFORMULA H3N DR0100 INCHIKEY QGZKDVFQNNGYKY-UHFFFAOYSA-N DR0100 DRUINCHI 1S/H3N/h1H3 DR0100 CASMILES N DR0100 CAS__NUM CAS 7664-41-7 DR0100 CHEBINUM 16134 DR0102 DRUG__ID DR0102 DR0102 DRUGNAME Amodiaquine DR0102 PUBCMCID 2165 DR0102 TTDRUGID D04NQI DR0102 DFORMULA C20H22ClN3O DR0102 INCHIKEY OVCDSSHSILBFBN-UHFFFAOYSA-N DR0102 DRUINCHI 1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23) DR0102 CASMILES CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O DR0102 CAS__NUM CAS 86-42-0 DR0102 CHEBINUM 2674 DR0102 PUBCMSID 9828; 77901; 598064; 4621370; 7886759; 7978694; 8151472; 10537079; 10589213; 11466337; 11467457; 11486233; 15374079; 17397079; 29221344; 46393825; 46506940; 47291303; 47440457; 47589170; 47810953; 47959956; 48415557; 49698430; 49956414; 50085969; 53789783; 53801183; 57321182; 76179602; 81062056; 81093107; 84974934; 92712423; 103190631; 103973209; 104299796; 105086070; 124596739; 124659480; 124801466; 124951249; 125358735; 126630109; 126678259; 128866127; 131333557; 134337988; 134970939; 135702891 DR0103 DRUG__ID DR0103 DR0103 DRUGNAME Amoxapine DR0103 PUBCMCID 2170 DR0103 TTDRUGID D09IOI DR0103 DFORMULA C17H16ClN3O DR0103 INCHIKEY QWGDMFLQWFTERH-UHFFFAOYSA-N DR0103 DRUINCHI 1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2 DR0103 CASMILES C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl DR0103 CAS__NUM CAS 14028-44-5 DR0103 CHEBINUM 2675 DR0103 PUBCMSID 855963; 4621375; 7847295; 7978696; 8150155; 8151476; 10321488; 10507662; 11110675; 11110676; 11335411; 11360650; 11363340; 11365902; 11368464; 11371973; 11374794; 11376626; 11461622; 11466130; 11467250; 11484886; 11485759; 11489061; 11490882; 11493032; 11494260; 12013426; 14950373; 17404679; 24278075; 26613170; 26680165; 26747067; 26751577; 29221349; 46509117; 47291025; 47662153; 47662154; 47662155; 47736356; 48110341; 48110342; 48110343; 48259108; 48334368; 48415558; 49698344; 49846684 DR0104 DRUG__ID DR0104 DR0104 DRUGNAME Amoxicillin DR0104 PUBCMCID 33613 DR0104 TTDRUGID D0F6EO DR0104 DFORMULA C16H19N3O5S DR0104 INCHIKEY LSQZJLSUYDQPKJ-NJBDSQKTSA-N DR0104 DRUINCHI 1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1 DR0104 CASMILES CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C DR0104 CAS__NUM CAS 26787-78-0 DR0104 CHEBINUM 2676 DR0104 PUBCMSID 9045; 625395; 855939; 7978697; 8173210; 10321668; 11466385; 11467505; 11486110; 14803689; 14852747; 34675405; 46507578; 47277019; 47500930; 48020429; 48244812; 49698452; 50050650; 50124271; 51091783; 56310905; 56312972; 56464141; 57288747; 57311544; 75691305; 85148361; 85787504; 92125419; 92711519; 96099939; 103296891; 103914155; 104170168; 104178892; 104316487; 119525230; 121362635; 121363090; 124766400; 124799877; 126630772; 126657267; 134337739; 134997708; 135769296; 136357150; 137002906; 139157548 DR0106 DRUG__ID DR0106 DR0106 DRUGNAME Amphetamine DR0106 PUBCMCID 3007 DR0106 TTDRUGID D05BMG DR0106 DFORMULA C9H13N DR0106 INCHIKEY KWTSXDURSIMDCE-UHFFFAOYSA-N DR0106 DRUINCHI 1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3 DR0106 CASMILES CC(CC1=CC=CC=C1)N DR0106 CAS__NUM CAS 300-62-9 DR0106 CHEBINUM 2679 DR0106 PUBCMSID 9717; 87765; 115861; 608004; 3249024; 5340423; 7978700; 8150111; 8151914; 10517686; 10524938; 10529136; 11336166; 11361405; 11462377; 11533323; 15297279; 24882028; 26746621; 31073245; 35804947; 36519861; 36651428; 39909068; 46506414; 47216854; 48110531; 48415560; 49855301; 49855567; 51091776; 53789505; 57321551; 57651795; 77830611; 85209571; 85756449; 99302079; 103164180; 103810791; 103918755; 104302255; 117525983; 125680154; 126677500; 127272449; 127272450; 127272451; 127272452; 127272453 DR0107 DRUG__ID DR0107 DR0107 DRUGNAME Amprenavir DR0107 PUBCMCID 65016 DR0107 TTDRUGID D0A0OO DR0107 DFORMULA C25H35N3O6S DR0107 INCHIKEY YMARZQAQMVYCKC-OEMFJLHTSA-N DR0107 DRUINCHI 1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1 DR0107 CASMILES CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)N DR0107 CAS__NUM CAS 161814-49-9 DR0107 CHEBINUM 40050 DR0107 PUBCMSID 10286; 601727; 628182; 822019; 3727052; 3727059; 7847958; 7885327; 7978703; 8030478; 8189448; 11528777; 12014852; 14835820; 14884574; 26697364; 29215412; 43121862; 46392146; 46393211; 46507537; 53790789; 57315242; 71821412; 74965413; 85177028; 85177034; 85177055; 92309266; 93166556; 97857368; 99239834; 99239838; 99239842; 99239846; 99239847; 99239854; 99239856; 103179760; 104178998; 104253275; 104332645; 104829267; 117549941; 118048728; 125267472; 125310993; 127310203; 127310204; 127310205 DR0108 DRUG__ID DR0108 DR0108 DRUGNAME CNF-3140 DR0108 PUBCMCID 178149 DR0108 TTDRUGID D04BEN DR0108 DFORMULA C25H25NO9 DR0108 INCHIKEY VJZITPJGSQKZMX-HUVCIAIMSA-N DR0108 DRUINCHI 1S/C25H25NO9/c1-10(27)25(26)7-13-18(16(8-25)35-17-6-14(28)15(29)9-34-17)24(33)20-19(23(13)32)21(30)11-4-2-3-5-12(11)22(20)31/h2-5,14-17,28-29,32-33H,6-9,26H2,1H3/t14?,15?,16-,17?,25-/m0/s1 DR0108 CASMILES CC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O)OC5CC(C(CO5)O)O)N DR0108 CAS__NUM CAS 110267-81-7 DR0108 PUBCMSID 33501458; 50067579; 78309456; 104426973; 126671522; 142026085; 164835807; 223654684; 226490852; 245323584; 249582551; 252214726 DR0109 DRUG__ID DR0109 DR0109 DRUGNAME Amsacrine DR0109 PUBCMCID 2179 DR0109 TTDRUGID D0G9YH DR0109 DFORMULA C21H19N3O3S DR0109 INCHIKEY XCPGHVQEEXUHNC-UHFFFAOYSA-N DR0109 DRUINCHI 1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23) DR0109 CASMILES COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42 DR0109 CAS__NUM CAS 51264-14-3 DR0109 CHEBINUM 2687 DR0109 PUBCMSID 4711; 137181; 597748; 5128698; 7849380; 7978704; 8137254; 8151483; 11110803; 11406388; 11447254; 11533500; 12013305; 14927834; 29221358; 46507539; 47440375; 48110554; 48415564; 48422855; 49815687; 49855467; 50110958; 53789073; 57321186; 78687979; 90341308; 99453443; 103166066; 103919715; 103925608; 104299838; 118043462; 121379628; 124633410; 124879323; 124879324; 125824264; 126659536; 126687025; 127318462; 127318463; 127318464; 127318465; 127318466; 127318467; 127318468; 127318469; 127318470; 127318471 DR0110 DRUG__ID DR0110 DR0110 DRUGNAME AI3-25184 DR0110 PUBCMCID 10026 DR0110 TTDRUGID D01QLH DR0110 DFORMULA C5H11NO2 DR0110 INCHIKEY CSDTZUBPSYWZDX-UHFFFAOYSA-N DR0110 DRUINCHI 1S/C5H11NO2/c1-2-3-4-5-8-6-7/h2-5H2,1H3 DR0110 CASMILES CCCCCON=O DR0110 CAS__NUM CAS 463-04-7 DR0110 CHEBINUM 55344 DR0110 PUBCMSID 8157247; 10523453; 15194387; 29228570; 46507839; 48422858; 49855423; 50234008; 51075377; 57325917; 61548046; 87351903; 87562079;88826757; 104322178; 124759820; 125823538; 126584108; 126688727; 126728383; 127327779; 127327780; 127327781; 127670072; 131294400; 134224767; 134973651; 137009484; 142314899; 144210096; 151993050; 152171314; 160797929; 162096005; 162160866; 162264216; 162761000; 163809052; 164806469; 165252965; 174550429; 176327280; 184577973; 204380219; 223501932; 223670724; 223764611; 226420589; 241077705; 241153309 DR0112 DRUG__ID DR0112 DR0112 DRUGNAME Anagrelide hydrochloride DR0112 PUBCMCID 135413494 DR0112 TTDRUGID D0D1HW DR0112 DFORMULA C10H8Cl3N3O DR0112 INCHIKEY TVWRQCIPWUCNMI-UHFFFAOYSA-N DR0112 DRUINCHI 1S/C10H7Cl2N3O.ClH/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7;/h1-2H,3-4H2,(H,13,14,16);1H DR0112 CASMILES C1C2=C(C=CC(=C2Cl)Cl)N=C3N1CC(=O)N3.Cl DR0112 CAS__NUM CAS 58579-51-4 DR0112 CHEBINUM 45304 DR0113 DRUG__ID DR0113 DR0113 DRUGNAME Anastrozole DR0113 PUBCMCID 2187 DR0113 TTDRUGID D0W0BF DR0113 DFORMULA C17H19N5 DR0113 INCHIKEY YBBLVLTVTVSKRW-UHFFFAOYSA-N DR0113 DRUINCHI 1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3 DR0113 CASMILES CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N DR0113 CAS__NUM CAS 120511-73-1 DR0113 CHEBINUM 2704 DR0113 PUBCMSID 10359; 535026; 5128740; 7848023; 7978492; 8151486; 11528617; 12014321; 14751420; 26719808; 26758041; 29221365; 46386543; 46504987; 46510669; 48415567; 49681575; 53007586; 53789173; 56311273; 56313558; 56313576; 57321190; 58106884; 81040864; 87351875; 92308653; 92308946; 92712142; 99436928; 103478231; 104299862; 117672710; 118313740; 124659088; 124757065; 124801312; 125163869; 125311691; 125339200; 126630179; 126657740; 126667645; 129769972; 131296284; 134337917; 135018130; 135698190; 135727309; 136348802 DR0114 DRUG__ID DR0114 DR0114 DRUGNAME Androstanolone DR0114 PUBCMCID 10635 DR0114 TTDRUGID D04DJN DR0114 DFORMULA C19H30O2 DR0114 INCHIKEY NVKAWKQGWWIWPM-ABEVXSGRSA-N DR0114 DRUINCHI 1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1 DR0114 CASMILES CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4O)C DR0114 CAS__NUM CAS 521-18-6 DR0114 CHEBINUM 16330 DR0114 PUBCMSID 6646; 76024; 583926; 583927; 583928; 583929; 583930; 583932; 583933; 583934; 585358; 585359; 585360; 585692;824234; 836816; 838818; 841438; 7887032; 7979089; 8145454; 8157682; 11532131; 12146093; 14751321; 14751322; 17389515; 24702282; 24891337; 25621350; 26707661; 26737076; 26737079; 26737083; 26737086; 26737089; 26737091; 26737094; 26737096; 26737098; 26737108; 26737500; 29229109; 38671806; 46392350; 46393206; 46393207; 46393212; 46518267; 48421870 DR0115 DRUG__ID DR0115 DR0115 DRUGNAME AC-12166 DR0115 PUBCMCID 10634 DR0115 TTDRUGID D08DZZ DR0115 DFORMULA C19H30O2 DR0115 INCHIKEY QADHLRWLCPCEKT-LOVVWNRFSA-N DR0115 DRUINCHI 1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1 DR0115 CASMILES CC12CCC3C(C1CCC2O)CC=C4C3(CCC(C4)O)C DR0115 CAS__NUM CAS 521-17-5 DR0115 CHEBINUM 2710 DR0115 PUBCMSID 6955; 3139522; 7847247; 8145886; 8157681; 12146100; 14897987; 14922510; 24702265; 25621407; 29229108; 48415569; 49869390; 50112747; 50804001; 53788203; 57304390; 57326355; 90451287; 92297868; 92711433; 93167092; 99453738; 103203033; 104095343; 104323845; 117557047; 126524916; 126630860; 126688967; 128993376;134345253; 134977201; 137131402; 137900303; 144206048; 152094956; 162095576; 163398407; 170465858; 172847978; 179293163; 198966861; 223672349; 224097058; 226415063; 241090053; 250108529; 252406465 DR0116 DRUG__ID DR0116 DR0116 DRUGNAME Androstenedione DR0116 PUBCMCID 6128 DR0116 TTDRUGID D0M8RO DR0116 DFORMULA C19H26O2 DR0116 INCHIKEY AEMFNILZOJDQLW-QAGGRKNESA-N DR0116 DRUINCHI 1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1 DR0116 CASMILES CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C DR0116 CAS__NUM CAS 63-05-8 DR0116 CHEBINUM 16422 DR0116 PUBCMSID 3575; 75016; 598429; 831360; 841441; 855972; 3162127; 7847119; 7885977; 8145630; 8153839; 14775551; 15962866; 17389251; 17389252; 17404677; 22400337; 24278247; 24702267; 24869681; 25621509; 26751578; 29215020; 29225131; 46508011; 47736685; 48035332; 48422859; 48424700; 48424701; 49856256; 50104208; 50362263; 53777220; 53790644; 56354941; 56354943; 56435876; 56436206; 56436633; 57323206; 57391483; 57650669; 71850513; 85148334; 85267761; 85279313; 92297726; 92303593; 92710448 DR0119 DRUG__ID DR0119 DR0119 DRUGNAME Q-100648 DR0119 PUBCMCID 183088 DR0119 TTDRUGID D06VFO DR0119 DFORMULA C17H23NO4 DR0119 INCHIKEY WTQYWNWRJNXDEG-LEOABGAYSA-N DR0119 DRUINCHI 1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12-,13+,14-,15+,16+/m1/s1 DR0119 CASMILES CN1C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3 DR0119 CAS__NUM CAS 55869-99-3 DR0119 PUBCMSID 23921219; 33505583; 50427808; 104438665; 114606727; 136229770; 137237428; 162220214; 226921751 DR0120 DRUG__ID DR0120 DR0120 DRUGNAME Antipyrine DR0120 PUBCMCID 2206 DR0120 TTDRUGID D03IRR DR0120 DFORMULA C11H12N2O DR0120 INCHIKEY VEQOALNAAJBPNY-UHFFFAOYSA-N DR0120 DRUINCHI 1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3 DR0120 CASMILES CC1=CC(=O)N(N1C)C2=CC=CC=C2 DR0120 CAS__NUM CAS 60-80-0 DR0120 CHEBINUM 31225 DR0120 PUBCMSID 73701; 585988; 609733; 897396; 3132034; 7548402; 7848839; 8149206; 8151497; 10321128; 10529438; 11112159; 11335659; 11360898; 11362852; 11365414; 11367976; 11371470; 11373763; 11376138; 11461870; 11466057; 11467177; 11483752; 11485754; 11487904; 11490121; 11491967; 11493872; 11533957; 14797281; 24846783; 24890859; 24891029; 26611611; 26679445; 26747866; 26747867; 26753718; 29221384; 32867460; 46505216; 47216735; 47291090; 47515275; 47662233; 47885364; 47959690; 48259186; 48414294 DR0121 DRUG__ID DR0121 DR0121 DRUGNAME Apalutamide DR0121 PUBCMCID 24872560 DR0121 TTDRUGID D0S7LG DR0121 DFORMULA C21H15F4N5O2S DR0121 INCHIKEY HJBWBFZLDZWPHF-UHFFFAOYSA-N DR0121 DRUINCHI 1S/C21H15F4N5O2S/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31) DR0121 CASMILES CNC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C23CCC3)C4=CC(=C(N=C4)C#N)C(F)(F)F)F DR0121 CAS__NUM CAS 956104-40-8 DR0121 PUBCMSID 50127665; 57161266; 152159708; 152258720; 160647563; 162012009; 162108672; 162205209; 164045137; 165245619; 170501902; 174007290; 174531399; 185990492; 189024879; 198977777; 223388726; 223471410; 223705154; 224466409; 227174897; 242586422; 251962968; 252110202; 252160623; 252214876; 252455417 DR0122 DRUG__ID DR0122 DR0122 DRUGNAME Apixaban DR0122 PUBCMCID 10182969 DR0122 TTDRUGID D0I5HF DR0122 DFORMULA C25H25N5O4 DR0122 INCHIKEY QNZCBYKSOIHPEH-UHFFFAOYSA-N DR0122 DRUINCHI 1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32) DR0122 CASMILES COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N DR0122 CAS__NUM CAS 503612-47-3 DR0122 CHEBINUM 72296 DR0122 PUBCMSID 15178464; 17397366; 22578033; 26736936; 40272539; 46519072; 51992439; 53812906; 56310620; 57374335; 99375349; 99444299; 103535612; 104253239; 109693404; 124757362; 124772059; 125164166; 125433570; 126644898; 126665798; 134339057; 135252374; 135727449; 135727826; 136367462; 136368094; 136920385; 137183704; 139455355; 144115617;152258806; 152343992; 152344098; 160647657; 160874191; 160962913; 160968889; 162011738; 163884621; 164194092; 164777207; 165247616; 170497908; 172912849; 174006823; 174549337; 175266926; 175427077; 178103006 DR0123 DRUG__ID DR0123 DR0123 DRUGNAME Apomorphine DR0123 PUBCMCID 6005 DR0123 TTDRUGID D0H6QU DR0123 DFORMULA C17H17NO2 DR0123 INCHIKEY VMWNQDUVQKEIOC-CYBMUJFWSA-N DR0123 DRUINCHI 1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1 DR0123 CASMILES CN1CCC2=C3C1CC4=C(C3=CC=C2)C(=C(C=C4)O)O DR0123 CAS__NUM CAS 58-00-4 DR0123 CHEBINUM 48538 DR0123 PUBCMSID 7978719; 8153735; 11114270; 11466129; 11467249; 11485757; 14823961; 14848260; 24262970; 26752261; 29225019; 46508653;47216673; 47365074; 47365075; 47662161; 47662162; 47662163; 48110346; 48184887; 48259117; 48415574; 49658769; 49698343; 49871434; 50322702; 51091791; 57323108; 85788349; 85856298; 92308726; 92729815;93622853; 103167211; 103916308; 104310845; 124887059; 124887060; 126522630; 129497604; 134337595; 134971357; 135304977; 135649950; 137001467; 142333205; 144204518; 160964058; 163667986; 164788060 DR0124 DRUG__ID DR0124 DR0124 DRUGNAME Apremilast DR0124 PUBCMCID 11561674 DR0124 TTDRUGID D07ESC DR0124 DFORMULA C22H24N2O7S DR0124 INCHIKEY IMOZEMNVLZVGJZ-QGZVFWFLSA-N DR0124 DRUINCHI 1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)/t17-/m1/s1 DR0124 CASMILES CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC DR0124 CAS__NUM CAS 608141-41-9 DR0124 CHEBINUM 78540 DR0124 PUBCMSID 16663888; 28672022; 42703565; 50086920; 78553422; 96025543; 103594774; 104103394; 135195808; 135299279; 136946493; 140792549; 144115618; 152256090; 152258393; 160647230; 164045129; 164194075; 176253765; 178103944; 186014493; 187575333; 189561506; 198938842; 198994002; 218902332; 223380767; 223443866; 223593318; 224603101; 226643371; 247101845; 249492055; 249814467; 250163167; 251962967; 251970550; 252088578; 252160602; 252214744; 252438251; 252451837; 252553654 DR0125 DRUG__ID DR0125 DR0125 DRUGNAME Aprepitant DR0125 PUBCMCID 135413536 DR0125 TTDRUGID D0GU4K DR0125 DFORMULA C23H21F7N4O3 DR0125 INCHIKEY ATALOFNDEOCMKK-OITMNORJSA-N DR0125 DRUINCHI 1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1 DR0125 CASMILES CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NNC(=O)N3)C4=CC=C(C=C4)F DR0125 CAS__NUM CAS 170729-80-3 DR0125 CHEBINUM 499361 DR0126 DRUG__ID DR0126 DR0126 DRUGNAME AC-1802 DR0126 PUBCMCID 2218 DR0126 TTDRUGID D0W7OE DR0126 DFORMULA C22H30N2 DR0126 INCHIKEY NZLBHDRPUJLHCE-UHFFFAOYSA-N DR0126 DRUINCHI 1S/C22H30N2/c1-3-23(4-2)15-10-16-24(21-13-6-5-7-14-21)22-17-19-11-8-9-12-20(19)18-22/h5-9,11-14,22H,3-4,10,15-18H2,1-2H3 DR0126 CASMILES CCN(CC)CCCN(C1CC2=CC=CC=C2C1)C3=CC=CC=C3 DR0126 CAS__NUM CAS 37640-71-4 DR0126 CHEBINUM 135370 DR0126 PUBCMSID 571299; 7548412; 8151505; 10520821; 15494731; 17397126; 29221394; 46505478; 48415575; 50020808; 57321208; 75450772; 90340712; 104239200; 104299952; 134224065; 134338228; 134402261; 134999466; 137006017; 160964697; 179150329; 184530774; 198949331; 226420992; 249950823 DR0129 DRUG__ID DR0129 DR0129 DRUGNAME Arachidonic acid DR0129 PUBCMCID 444899 DR0129 TTDRUGID D0HD9P DR0129 DFORMULA C20H32O2 DR0129 INCHIKEY YZXBAPSDXZZRGB-DOFZRALJSA-N DR0129 DRUINCHI 1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15- DR0129 CASMILES CCCCCC=CCC=CCC=CCC=CCCCC(=O)O DR0129 CAS__NUM CAS 506-32-1 DR0129 CHEBINUM 15843 DR0129 PUBCMSID 3519; 584562; 619099; 3139094; 4265935; 7885669; 7979717; 8145109; 10299602; 10524489; 14800661; 24846907; 24890733; 24890784; 24891487; 26747902; 26753719; 26753720; 26753721; 26758248; 36887771; 46391417; 46392023; 46393430; 47885166; 47959472; 48110218; 48493842; 49681170; 49846134; 49846384; 50107316; 50326117; 53787885; 56311297; 56311317; 56312730; 56312894; 56313841; 56313927; 56365480; 57261284; 57404647; 57646859; 85788730; 87562313; 91011640; 92298150; 92309955; 92713311 DR0130 DRUG__ID DR0130 DR0130 DRUGNAME Arbekacin DR0130 PUBCMCID 68682 DR0130 TTDRUGID D07JPC DR0130 DFORMULA C22H44N6O10 DR0130 INCHIKEY MKKYBZZTJQGVCD-XTCKQBCOSA-N DR0130 DRUINCHI 1S/C22H44N6O10/c23-4-3-12(30)20(34)28-11-5-10(26)18(37-21-9(25)2-1-8(6-24)35-21)17(33)19(11)38-22-16(32)14(27)15(31)13(7-29)36-22/h8-19,21-22,29-33H,1-7,23-27H2,(H,28,34)/t8-,9+,10-,11+,12-,13+,14-,15+,16+,17-,18+,19-,21+,22+/m0/s1 DR0130 CASMILES C1CC(C(OC1CN)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CO)O)N)O)NC(=O)C(CCN)O)N)N DR0130 CAS__NUM CAS 51025-85-5 DR0130 CHEBINUM 37922 DR0130 PUBCMSID 8192273; 12012746; 15012131; 24434905; 43125217; 50047867; 50112783; 50764410; 51091793; 57317006; 99443250; 103027235; 103069356; 103080181; 103508341; 104342778; 117570307; 124766131; 126671210; 134223846; 135027886; 136290748; 137248758; 164788050; 178103917; 179150519; 184544961; 198976904; 226408426; 241090282;252358771; 252671973 DR0131 DRUG__ID DR0131 DR0131 DRUGNAME Arformoterol DR0131 PUBCMCID 3083544 DR0131 TTDRUGID D0D1DI DR0131 DFORMULA C19H24N2O4 DR0131 INCHIKEY BPZSYCZIITTYBL-YJYMSZOUSA-N DR0131 DRUINCHI 1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1 DR0131 CASMILES CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O DR0131 CAS__NUM CAS 67346-49-0 DR0131 CHEBINUM 408174 DR0131 PUBCMSID 7979300; 9471432; 14827391; 14900508; 36413919; 46506392; 48416036; 50940892; 51091794; 57355509;85599207; 103450411; 104039882; 111687869; 126685257; 135230453; 136046712; 137001399; 142226212; 152109087; 160964600; 162201740; 163414832; 163686492; 175266951; 175269513; 179150479; 185998767; 187051782; 210281489; 223553207; 223678424; 224468537; 226396278; 241132564; 252425627 DR0132 DRUG__ID DR0132 DR0132 DRUGNAME Argatroban DR0132 PUBCMCID 92722 DR0132 TTDRUGID D07UWV DR0132 DFORMULA C23H36N6O5S DR0132 INCHIKEY KXNPVXPOPUZYGB-IOVMHBDKSA-N DR0132 DRUINCHI 1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1 DR0132 CASMILES CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C DR0132 CAS__NUM CAS 74863-84-6 DR0132 CHEBINUM 94385 DR0132 PUBCMSID 14786817; 14786818; 26719855; 44423523; 46386718; 49681688; 50015606; 50111795; 76329972; 87225383; 92308497; 92309228; 103072462; 103079898; 103339406; 103945452; 104408187; 117541869; 123120899; 124658931; 125311690; 126664536; 128449126; 135062360; 136379666; 152059031; 152212228; 160814640; 162011683; 162178885; 162254934; 163089948; 163670117; 164788049; 172080306; 174006836; 174473281; 174530566; 175607554; 176484535; 178103001; 179116564; 179295943; 179323694; 184643919; 184816446; 198993723; 203355751; 204433880;210279520 DR0136 DRUG__ID DR0136 DR0136 DRUGNAME Aripiprazole lauroxil DR0136 PUBCMCID 49831411 DR0136 TTDRUGID D0H3HM DR0136 DFORMULA C36H51Cl2N3O4 DR0136 INCHIKEY DDINXHAORAAYAD-UHFFFAOYSA-N DR0136 DRUINCHI 1S/C36H51Cl2N3O4/c1-2-3-4-5-6-7-8-9-10-16-35(43)45-28-41-33-27-30(19-17-29(33)18-20-34(41)42)44-26-12-11-21-39-22-24-40(25-23-39)32-15-13-14-31(37)36(32)38/h13-15,17,19,27H,2-12,16,18,20-26,28H2,1H3 DR0136 CASMILES CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=C1C=C(C=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl DR0136 CAS__NUM CAS 1259305-29-7 DR0136 CHEBINUM 90930 DR0137 DRUG__ID DR0137 DR0137 DRUGNAME Armodafinil DR0137 PUBCMCID 9690109 DR0137 TTDRUGID D0J5RN DR0137 DFORMULA C15H15NO2S DR0137 INCHIKEY YFGHCGITMMYXAQ-LJQANCHMSA-N DR0137 DRUINCHI 1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)/t19-/m1/s1 DR0137 CASMILES C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)N DR0137 CAS__NUM CAS 112111-43-0 DR0137 CHEBINUM 77590 DR0137 PUBCMSID 12014108; 14824208; 17397368; 24099806; 44823274; 57373290; 58107158; 80296077; 103771175; 125086994; 134357052; 135200656; 136236020; 137001280; 137239495; 137624470; 152258644; 160647479; 162189556; 164230581; 175267253; 175270376; 186007031; 223443057; 223454698; 223519240; 226420943; 249797709; 251964004 DR0138 DRUG__ID DR0138 DR0138 DRUGNAME Arotinolol DR0138 PUBCMCID 2239 DR0138 DFORMULA C15H21N3O2S3 DR0138 INCHIKEY BHIAIPWSVYSKJS-UHFFFAOYSA-N DR0138 DRUINCHI 1S/C15H21N3O2S3/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20) DR0138 CASMILES CC(C)(C)NCC(CSC1=NC(=CS1)C2=CC=C(S2)C(=O)N)O DR0138 CAS__NUM CAS 68377-92-4 DR0138 CHEBINUM 135569 DR0139 DRUG__ID DR0139 DR0139 DRUGNAME Arsenic DR0139 PUBCMCID 5359596 DR0139 DFORMULA As DR0139 INCHIKEY RQNWIZPPADIBDY-UHFFFAOYSA-N DR0139 DRUINCHI 1S/As DR0139 CASMILES [As] DR0139 CAS__NUM CAS 7440-38-2 DR0139 CHEBINUM 27563 DR0140 DRUG__ID DR0140 DR0140 DRUGNAME Artemether DR0140 PUBCMCID 68911 DR0140 TTDRUGID D0M9BW DR0140 DFORMULA C16H26O5 DR0140 INCHIKEY SXYIRMFQILZOAM-HVNFFKDJSA-N DR0140 DRUINCHI 1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1 DR0140 CASMILES CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC)C DR0140 CAS__NUM CAS 71963-77-4 DR0140 CHEBINUM 195280 DR0141 DRUG__ID DR0141 DR0141 DRUGNAME Artemisinin DR0141 PUBCMCID 452191 DR0141 TTDRUGID D0S3WH DR0141 DFORMULA C15H22O5 DR0141 INCHIKEY BLUAFEHZUWYNDE-DCJAHCNHSA-N DR0141 DRUINCHI 1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14?,15-/m1/s1 DR0141 CASMILES CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C DR0141 CAS__NUM CAS 63968-64-9 DR0141 PUBCMSID 11729; 597201; 3154164; 8149879; 10321764; 11537742; 11538015; 14873071; 17396660; 22391483; 24263048; 24862236; 25621962; 26612376; 26679989; 26755288; 29203860; 46488006; 49681218; 49698524; 49834379; 50110885; 50110886; 57405324; 57649481; 79908771; 87560451; 92124957; 92125361; 92710903; 99301744; 99437070; 103914249; 104179191; 104644865; 108667034; 124636730; 124757138; 125163942; 126631402; 131480746; 135692091; 136367381; 136368092; 140607255; 144115625; 162249932; 163614422; 166223153; 176484289 DR0142 DRUG__ID DR0142 DR0142 DRUGNAME Artenimol DR0142 PUBCMCID 107770 DR0142 TTDRUGID D0N6FH DR0142 DFORMULA C15H24O5 DR0142 INCHIKEY BJDCWCLMFKKGEE-KWWHLYHASA-N DR0142 DRUINCHI 1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11?,12+,13-,14?,15-/m1/s1 DR0142 CASMILES CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)O)C DR0142 CAS__NUM CAS 71939-50-9 DR0142 PUBCMSID 44436731; 49965289; 51153978; 57338240; 104379699; 119501594; 126684782; 144205041; 223679780 DR0143 DRUG__ID DR0143 DR0143 DRUGNAME LJPC-0118 DR0143 PUBCMCID 65664 DR0143 TTDRUGID D0D4JO DR0143 DFORMULA C19H28O8 DR0143 INCHIKEY FIHJKUPKCHIPAT-NKHDUEHSSA-N DR0143 DRUINCHI 1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16+,17-,18-,19-/m1/s1 DR0143 CASMILES CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)C DR0143 CAS__NUM CAS 88495-63-0 DR0143 CHEBINUM 94751 DR0143 PUBCMSID 648995; 8189843; 26719843; 43122429; 46386645; 49681703; 57315649; 78981774; 92308404; 103437215; 104334337; 117548152; 124658878; 126665990; 135111419; 160641408; 163694254; 163854014; 172080248; 176484537; 179151377; 198944688; 223684205; 223712741; 225384251; 231493364; 252065633 DR0144 DRUG__ID DR0144 DR0144 DRUGNAME Ascorbic acid DR0144 PUBCMCID 54670067 DR0144 TTDRUGID D07AHW DR0144 DFORMULA C6H8O6 DR0144 INCHIKEY CIWBSHSKHKDKBQ-JLAZNSOCSA-N DR0144 DRUINCHI 1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1 DR0144 CASMILES C(C(C1C(=C(C(=O)O1)O)O)O)O DR0144 CAS__NUM CAS 50-81-7 DR0144 CHEBINUM 29073 DR0144 PUBCMSID 3372; 597821; 828416; 3132038; 7847086; 7885976; 8145471; 11528251; 14717141; 15219590; 15321981; 17390038; 22395201;24855464; 24859847; 24871532; 24890105; 24890106; 24890107; 24890417; 24890632; 24890635; 24890649; 24890857; 24890875; 24891042; 24891246; 24891432; 24900863; 26757776; 29203862; 29224819; 36507993;46505070; 47662544; 47960008; 48259498; 48413235; 48415580; 48416719; 48423587; 48425237; 49684275; 49699000; 49737747; 50105612; 53790060; 56310862; 56313946; 56314017 DR0146 DRUG__ID DR0146 DR0146 DRUGNAME Asenapine maleate DR0146 PUBCMCID 6917875 DR0146 TTDRUGID D00JRA DR0146 DFORMULA C21H20ClNO5 DR0146 INCHIKEY GMDCDXMAFMEDAG-CHHFXETESA-N DR0146 DRUINCHI 1S/C17H16ClNO.C4H4O4/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19;5-3(6)1-2-4(7)8/h2-8,14-15H,9-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,15-;/m1./s1 DR0146 CASMILES CN1CC2C(C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24.C(=CC(=O)O)C(=O)O DR0146 CAS__NUM CAS 85650-56-2 DR0146 CHEBINUM 71248 DR0147 DRUG__ID DR0147 DR0147 DRUGNAME Astemizole DR0147 PUBCMCID 2247 DR0147 TTDRUGID D0Y2HR DR0147 DFORMULA C28H31FN4O DR0147 INCHIKEY GXDALQBWZGODGZ-UHFFFAOYSA-N DR0147 DRUINCHI 1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31) DR0147 CASMILES COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F DR0147 CAS__NUM CAS 68844-77-9 DR0147 CHEBINUM 2896 DR0147 PUBCMSID 9050; 459037; 855746; 4266413; 5313663; 7847301; 7978732; 8150150; 8151518; 10321136; 11112828; 11335214; 11360453; 11363342; 11365904; 11368466; 11372003; 11374824; 11376628; 11461425; 11466164; 11467284; 11485540; 11485887; 11489548; 11490887; 11493037; 11494262; 11528621; 11538010; 12013338; 14760289; 22391432; 26613163; 26680817; 26746979; 26746980; 26751496; 26751497; 29221421; 46487928; 46508569; 47216611; 47440072; 47515146; 47736292; 47810587; 47885241; 48034934; 48259050 DR0148 DRUG__ID DR0148 DR0148 DRUGNAME BMS-650032 DR0148 PUBCMCID 16076883 DR0148 TTDRUGID D04MCY DR0148 DFORMULA C35H46ClN5O9S DR0148 INCHIKEY XRWSZZJLZRKHHD-WVWIJVSJSA-N DR0148 DRUINCHI 1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1 DR0148 CASMILES CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)(=O)C3CC3)OC4=NC=C(C5=C4C=C(C=C5)Cl)OC)NC(=O)OC(C)(C)C DR0148 CAS__NUM CAS 630420-16-5 DR0148 CHEBINUM 134723 DR0148 PUBCMSID 24721638; 28688599; 29960656; 81082068; 99431640; 135316582; 135626812; 139010040; 152258574; 160647409; 160692698; 174315703; 198943682; 198993976; 210024640; 210024643; 223435540; 223715301; 224325540; 228723059; 242681705 DR0149 DRUG__ID DR0149 DR0149 DRUGNAME PTC-124 DR0149 PUBCMCID 11219835 DR0149 TTDRUGID D09IRQ DR0149 DFORMULA C15H9FN2O3 DR0149 INCHIKEY OOUGLTULBSNHNF-UHFFFAOYSA-N DR0149 DRUINCHI 1S/C15H9FN2O3/c16-12-7-2-1-6-11(12)14-17-13(18-21-14)9-4-3-5-10(8-9)15(19)20/h1-8H,(H,19,20) DR0149 CASMILES C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC(=CC=C3)C(=O)O)F DR0149 CAS__NUM CAS 775304-57-9 DR0149 CHEBINUM 94805 DR0149 PUBCMSID 16302894; 23402844; 29203630; 42299455; 57304410; 57376289; 75766960; 85852879; 87334013; 96026003; 99373538; 99436942; 99460885; 103563347; 103910924; 109693655; 118049493; 123051056; 123121571; 124757874; 125164722; 125503240; 126582219; 126635177; 126666965; 126726702; 134964148; 135252715; 135727400; 136345855; 136367510; 136367810; 136376015; 136920369; 137053896; 138987465; 143497760; 144206184; 152213774; 152236440; 152258609; 152344272; 160647444; 160816445; 162037998; 162195922; 162912919; 163589943; 164825244; 170466862 DR0150 DRUG__ID DR0150 DR0150 DRUGNAME Atazanavir DR0150 PUBCMCID 148192 DR0150 TTDRUGID D07IQS DR0150 DFORMULA C38H52N6O7 DR0150 INCHIKEY AXRYRYVKAWYZBR-GASGPIRDSA-N DR0150 DRUINCHI 1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1 DR0150 CASMILES CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC DR0150 CAS__NUM CAS 198904-31-3 DR0150 CHEBINUM 37924 DR0150 PUBCMSID 621982; 10249838; 14715932; 14766361; 14790731; 15047322; 17436380; 24276961; 46225140; 46393831; 46508504; 46512956; 49831615; 50067727; 50070909; 50780515; 51091799; 53801241; 57346722; 85177037; 85177040; 85177051; 85177056; 87225781; 92308998; 92729699; 99437162; 103338831; 104418454; 124757264; 124894049; 125164068;125267482; 126649083; 126665840; 126731250; 127338999; 127339000; 127474087; 134337995; 134339780; 135105507; 135692446; 137004575; 142410398; 143496681; 144206632; 152234924; 152344127; 160647610 DR0153 DRUG__ID DR0153 DR0153 DRUGNAME Atomoxetine hydrochloride DR0153 PUBCMCID 54840 DR0153 TTDRUGID D04CRN DR0153 DFORMULA C17H22ClNO DR0153 INCHIKEY LUCXVPAZUDVVBT-UNTBIKODSA-N DR0153 DRUINCHI 1S/C17H21NO.ClH/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H/t17-;/m1./s1 DR0153 CASMILES CC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2.Cl DR0153 CAS__NUM CAS 82248-59-7 DR0153 CHEBINUM 331697 DR0155 DRUG__ID DR0155 DR0155 DRUGNAME Atorvastatin calcium DR0155 PUBCMCID 60822 DR0155 TTDRUGID D01QIN DR0155 DFORMULA C66H68CaF2N4O10 DR0155 INCHIKEY FQCKMBLVYCEXJB-MNSAWQCASA-L DR0155 DRUINCHI 1S/2C33H35FN2O5.Ca/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;;+2/p-2/t2*26-,27-;/m11./s1 DR0155 CASMILES CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Ca+2] DR0155 CAS__NUM CAS 134523-03-8 DR0155 CHEBINUM 50686 DR0158 DRUG__ID DR0158 DR0158 DRUGNAME Atovaquone DR0158 PUBCMCID 74989 DR0158 TTDRUGID D06ZEE DR0158 DFORMULA C22H19ClO3 DR0158 INCHIKEY BSJMWHQBCZFXBR-UHFFFAOYSA-N DR0158 DRUINCHI 1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,24H,5-8H2 DR0158 CASMILES C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O DR0158 CAS__NUM CAS 95233-18-4 DR0158 CHEBINUM 575568 DR0158 PUBCMSID 9053; 602773; 630991; 642443; 6268716; 7847303; 7978737; 11112877; 11341957; 11362140; 11364637; 11367199; 11369761; 11372000; 11374732; 11377923; 11466562; 11467682; 11485585; 11486204; 11487542; 11489481; 11490806; 11492931; 11495557; 11528793; 14803776; 14828617; 26608042; 26612671; 26680436; 26748932; 26748933; 37101820; 37347461; 43130769; 46507298; 47434353; 47656598; 47811034; 48104692; 48259503; 48328562; 48415589; 49699104; 50100533; 51002645; 56463626; 57319569; 81092863 DR0159 DRUG__ID DR0159 DR0159 DRUGNAME Avanafil DR0159 PUBCMCID 9869929 DR0159 TTDRUGID D0Y5JC DR0159 DFORMULA C23H26ClN7O3 DR0159 INCHIKEY WEAJZXNPAWBCOA-INIZCTEOSA-N DR0159 DRUINCHI 1S/C23H26ClN7O3/c1-34-19-6-5-15(10-18(19)24)11-27-21-17(22(33)28-13-20-25-7-3-8-26-20)12-29-23(30-21)31-9-2-4-16(31)14-32/h3,5-8,10,12,16,32H,2,4,9,11,13-14H2,1H3,(H,28,33)(H,27,29,30)/t16-/m0/s1 DR0159 CASMILES COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCCC4CO)Cl DR0159 CAS__NUM CAS 330784-47-9 DR0159 CHEBINUM 66876 DR0159 PUBCMSID 14834924; 15132057; 17397370; 24160918; 45292193; 50284293; 57373612; 125299302; 126680642; 135264773; 136922931; 137082779; 137263447; 143177981; 160645587; 162255031; 164178031; 164194088; 164835991; 165222624; 165245576; 170502146; 174528935; 175267514; 175427065; 178104020; 185997047; 189480340; 198993783; 210275731; 210281392; 223635467; 223667975; 223700581; 223797060; 226490661; 241381281; 244115505; 249855750; 250163172; 250224291; 252066590; 252214915; 252436466 DR0161 DRUG__ID DR0161 DR0161 DRUGNAME Avatrombopag maleate DR0161 PUBCMCID 9918581 DR0161 TTDRUGID D0Z5AV DR0161 DFORMULA C33H38Cl2N6O7S2 DR0161 INCHIKEY MISPBGHDNZYFNM-BTJKTKAUSA-N DR0161 DRUINCHI 1S/C29H34Cl2N6O3S2.C4H4O4/c30-20-15-23(41-17-20)24-27(37-12-10-35(11-13-37)21-4-2-1-3-5-21)42-29(33-24)34-26(38)19-14-22(31)25(32-16-19)36-8-6-18(7-9-36)28(39)40;5-3(6)1-2-4(7)8/h14-18,21H,1-13H2,(H,39,40)(H,33,34,38);1-2H,(H,5,6)(H,7,8)/b;2-1- DR0161 CASMILES C1CCC(CC1)N2CCN(CC2)C3=C(N=C(S3)NC(=O)C4=CC(=C(N=C4)N5CCC(CC5)C(=O)O)Cl)C6=CC(=CS6)Cl.C(=CC(=O)O)C(=O)O DR0161 CAS__NUM CAS 380917-97-5 DR0161 PUBCMSID 14889047; 24196785; 45990222; 78363911; 136349980; 160692703; 162108666; 163312338; 198978504 DR0162 DRUG__ID DR0162 DR0162 DRUGNAME Axitinib DR0162 PUBCMCID 6450551 DR0162 TTDRUGID D01ZRI DR0162 DFORMULA C22H18N4OS DR0162 INCHIKEY RITAVMQDGBJQJZ-FMIVXFBMSA-N DR0162 DRUINCHI 1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+ DR0162 CASMILES CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)C=CC4=CC=CC=N4 DR0162 CAS__NUM CAS 319460-85-0 DR0162 CHEBINUM 66910 DR0162 PUBCMSID 11972112; 14804960; 17397371; 26683791; 43041647; 51067393; 56374259; 56459367; 57370217; 71821495; 85246173;92718920; 99004612; 99431770; 114525306; 118844929; 123098392; 124756928; 124950168; 125163735; 126621224; 126647931; 126666999; 131465099; 134339005; 134964394; 135236613; 135697692; 135727420; 136368079; 136920276; 137006067; 137255399; 140075950; 144075334; 144115649; 144207146; 152042317; 152258076; 152344032; 160645509; 160646915; 162011700; 162037379; 162112056; 162164950; 162170729; 163395346; 164041895; 164833257 DR0163 DRUG__ID DR0163 DR0163 DRUGNAME Azacitidine DR0163 PUBCMCID 9444 DR0163 TTDRUGID D09FAZ DR0163 DFORMULA C8H12N4O5 DR0163 INCHIKEY NMUSYJAQQFHJEW-KVTDHHQDSA-N DR0163 DRUINCHI 1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1 DR0163 CASMILES C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N DR0163 CAS__NUM CAS 320-67-2 DR0163 CHEBINUM 2038 DR0163 PUBCMSID 13439; 596456; 3139592; 8140000; 8148227; 8149830; 8156757; 11335300; 11360539; 11364156; 11364964; 11366718; 11367526; 11369280; 11370088; 11372756; 11373127; 11374582; 11375688; 11377442; 11378259; 11461511; 11484628; 11488602; 11491324; 11492737; 11495076; 12013374; 14749656; 15019893; 17390033; 17397176; 17404599; 24278211; 24890525; 26612306; 26679741; 26752817; 29228037; 46509032; 47216641; 47662119; 47810606; 47885263; 48034961; 48259073; 48334340; 48413245; 48415593; 48422584 DR0164 DRUG__ID DR0164 DR0164 DRUGNAME Azathioprine DR0164 PUBCMCID 2265 DR0164 TTDRUGID D07QCE DR0164 DFORMULA C9H7N7O2S DR0164 INCHIKEY LMEKQMALGUDUQG-UHFFFAOYSA-N DR0164 DRUINCHI 1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13) DR0164 CASMILES CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-] DR0164 CAS__NUM CAS 446-86-6 DR0164 CHEBINUM 2948 DR0164 PUBCMSID 9055; 545491; 4476272; 4486208; 4503338; 7592075; 7695226; 7847305; 7978746; 8149210; 8151523; 10321142; 10560483; 10584680; 11110740; 11110741; 11142069; 11335761; 11361000; 11362878; 11364839; 11365440; 11367401; 11368002; 11369963; 11371476; 11373003; 11373785; 11375563; 11376164; 11378131; 11461972; 11466122; 11467242; 11483991; 11485723; 11487884; 11490124; 11492058; 11493878; 11524329; 11533962; 11536345; 12294767; 14775167; 14824335; 15222101; 17390031; 17404591; 24278074 DR0165 DRUG__ID DR0165 DR0165 DRUGNAME Azelastine DR0165 PUBCMCID 2267 DR0165 TTDRUGID D00JVR DR0165 DFORMULA C22H24ClN3O DR0165 INCHIKEY MBUVEWMHONZEQD-UHFFFAOYSA-N DR0165 DRUINCHI 1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3 DR0165 CASMILES CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl DR0165 CAS__NUM CAS 58581-89-8 DR0165 CHEBINUM 2950 DR0165 PUBCMSID 9970; 4503340; 7978748; 8151525; 11373087; 11484393; 11488465; 11491799; 14829436; 29221440; 46507582; 47953967; 48415598; 50010207; 50122563; 50854757; 51091808; 57321230; 81040982; 85209838; 85788529; 87245030; 87350406; 103188977; 104300096; 124893571; 125353726; 126686074; 128573214; 131344384; 134337644; 135027355; 137175390; 139157643; 152034299; 160964310; 162173200; 162876873; 163414086; 164788079; 164833138; 172912872; 174007265; 176485063; 178103698; 179116569; 179499903; 184643901; 210279616; 210281939 DR0166 DRUG__ID DR0166 DR0166 DRUGNAME Azelnidipine DR0166 PUBCMCID 65948 DR0166 DFORMULA C33H34N4O6 DR0166 INCHIKEY ZKFQEACEUNWPMT-UHFFFAOYSA-N DR0166 DRUINCHI 1S/C33H34N4O6/c1-20(2)42-32(38)27-21(3)35-31(34)29(28(27)24-15-10-16-25(17-24)37(40)41)33(39)43-26-18-36(19-26)30(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-17,20,26,28,30,35H,18-19,34H2,1-3H3 DR0166 CASMILES CC1=C(C(C(=C(N1)N)C(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC(C)C DR0166 CAS__NUM CAS 123524-52-7 DR0166 CHEBINUM 31247 DR0167 DRUG__ID DR0167 DR0167 DRUGNAME NE-10064 DR0167 PUBCMCID 9571004 DR0167 TTDRUGID D0J6II DR0167 DFORMULA C23H28ClN5O3 DR0167 INCHIKEY MREBEPTUUMTTIA-PCLIKHOPSA-N DR0167 DRUINCHI 1S/C23H28ClN5O3/c1-26-12-14-27(15-13-26)10-2-3-11-28-22(30)17-29(23(28)31)25-16-20-8-9-21(32-20)18-4-6-19(24)7-5-18/h4-9,16H,2-3,10-15,17H2,1H3/b25-16+ DR0167 CASMILES CN1CCN(CC1)CCCCN2C(=O)CN(C2=O)N=CC3=CC=C(O3)C4=CC=C(C=C4)Cl DR0167 CAS__NUM CAS 149908-53-2 DR0167 CHEBINUM 34545 DR0167 PUBCMSID 854022; 7978750; 14833668; 23996681; 44709202; 50064481; 50070831; 50363598; 57372898; 93300234; 103357886; 117470042; 126626730; 126657825; 126664981; 134339212; 135049470; 137048405; 142105729; 152099929; 163693485; 164788077; 175426919; 179149965; 223442513; 223659937; 226414227; 226414228; 249581702; 252345353 DR0168 DRUG__ID DR0168 DR0168 DRUGNAME Azithromycin DR0168 PUBCMCID 447043 DR0168 TTDRUGID D03HJK DR0168 DFORMULA C38H72N2O12 DR0168 INCHIKEY MQTOSJVFKKJCRP-BICOPXKESA-N DR0168 DRUINCHI 1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 DR0168 CASMILES CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O DR0168 CAS__NUM CAS 117772-70-0 DR0168 CHEBINUM 34546 DR0168 PUBCMSID 602741; 826196; 828032; 855291; 7891223; 8150034; 10299997; 11335408; 11360647; 11363201; 11365763; 11368325; 11371605; 11373870; 11376487; 11461619; 11485280; 11489398; 11490469; 11492001; 11494121; 12013987; 14815592; 14913522; 17389173; 24886803; 26612518; 26681126; 37101861; 46507743; 47193725; 47662150; 47885293; 48034991; 48424843; 49648620; 49718186; 49855943; 50085942; 50105431; 53787457; 56312039; 56312690; 56313580; 56320681; 56322740; 56352923; 57404783; 79120868; 81093228 DR0169 DRUG__ID DR0169 DR0169 DRUGNAME Aztreonam DR0169 PUBCMCID 5742832 DR0169 TTDRUGID D0F2XV DR0169 DFORMULA C13H17N5O8S2 DR0169 INCHIKEY WZPBZJONDBGPKJ-VEHQQRBSSA-N DR0169 DRUINCHI 1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1 DR0169 CASMILES CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOC(C)(C)C(=O)O)C2=CSC(=N2)N DR0169 CAS__NUM CAS 78110-38-0 DR0169 CHEBINUM 2960 DR0169 PUBCMSID 503035; 605760; 7978752; 8142308; 10321853; 11765528; 12013309; 14783375; 14930214; 39538698; 47871110; 48020413; 48244800; 48395280; 48415600; 49698380; 50124378; 50768269; 57365010; 85787954; 91652037; 92125075; 92309205; 92713785; 93166923; 103220466; 103914334; 104098313; 104253180; 114107021; 119526244; 121362746; 124757300; 125164104; 126624596; 126655874; 135692167; 136368064; 136949096; 139813750; 143491685; 144115675; 151979576; 152101196; 152242936; 160871057; 162037635; 164787753; 170496669; 174549401 DR0170 DRUG__ID DR0170 DR0170 DRUGNAME DRF-2593 DR0170 PUBCMCID 9889200 DR0170 TTDRUGID D0F3NH DR0170 DFORMULA C20H17N3O4S DR0170 INCHIKEY IETKPTYAGKZLKY-UHFFFAOYSA-N DR0170 DRUINCHI 1S/C20H17N3O4S/c1-23-17(21-15-5-3-2-4-14(15)19(23)25)11-27-13-8-6-12(7-9-13)10-16-18(24)22-20(26)28-16/h2-9,16H,10-11H2,1H3,(H,22,24,26) DR0170 CASMILES CN1C(=NC2=CC=CC=C2C1=O)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4 DR0170 CAS__NUM CAS 199113-98-9 DR0171 DRUG__ID DR0171 DR0171 DRUGNAME Baloxavir marboxil DR0171 PUBCMCID 124081896 DR0171 TTDRUGID D0O5AG DR0171 DFORMULA C27H23F2N3O7S DR0171 INCHIKEY RZVPBGBYGMDSBG-GGAORHGYSA-N DR0171 DRUINCHI 1S/C27H23F2N3O7S/c1-36-27(35)39-14-38-25-19(33)8-9-31-24(25)26(34)30-10-11-37-12-21(30)32(31)23-15-6-7-18(28)22(29)17(15)13-40-20-5-3-2-4-16(20)23/h2-9,21,23H,10-14H2,1H3/t21-,23+/m1/s1 DR0171 CASMILES COC(=O)OCOC1=C2C(=O)N3CCOCC3N(N2C=CC1=O)C4C5=C(CSC6=CC=CC=C46)C(=C(C=C5)F)F DR0171 CAS__NUM CAS 1985606-14-1 DR0172 DRUG__ID DR0172 DR0172 DRUGNAME BAX-2793Z DR0172 PUBCMCID 68549 DR0172 TTDRUGID D0O7SP DR0172 DFORMULA C20H28ClN5O3 DR0172 INCHIKEY PDBXHPORMXSXKO-UHFFFAOYSA-N DR0172 DRUINCHI 1S/C20H27N5O3/c1-4-24(12-13-26)10-11-25-16(14-15-8-6-5-7-9-15)21-18-17(25)19(27)23(3)20(28)22(18)2/h5-9,26H,4,10-14H2,1-3H3 DR0172 CASMILES CCN(CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=CC=C3)CCO.Cl DR0172 CAS__NUM CAS 3736-86-5 DR0173 DRUG__ID DR0173 DR0173 DRUGNAME AN-16649 DR0173 PUBCMCID 9955116 DR0173 TTDRUGID D00PIE DR0173 DFORMULA C22H28N4O6 DR0173 INCHIKEY YZBAXVICWUUHGG-UHFFFAOYSA-N DR0173 DRUINCHI 1S/C22H28N4O6/c1-25(2,31)11-9-23-13-5-6-14(24-10-12-26(3,4)32)18-17(13)21(29)19-15(27)7-8-16(28)20(19)22(18)30/h5-8,23-24,27-28H,9-12H2,1-4H3 DR0173 CASMILES C[N+](C)(CCNC1=C2C(=C(C=C1)NCC[N+](C)(C)[O-])C(=O)C3=C(C=CC(=C3C2=O)O)O)[O-] DR0173 CAS__NUM CAS 136470-65-0 DR0174 DRUG__ID DR0174 DR0174 DRUGNAME Barbital DR0174 PUBCMCID 2294 DR0174 TTDRUGID D0E0WQ DR0174 DFORMULA C8H12N2O3 DR0174 INCHIKEY FTOAOBMCPZCFFF-UHFFFAOYSA-N DR0174 DRUINCHI 1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13) DR0174 CASMILES CCC1(C(=O)NC(=O)NC1=O)CC DR0174 CAS__NUM CAS 57-44-3 DR0174 CHEBINUM 31252 DR0174 PUBCMSID 90340; 589068; 841531; 5611996; 5972305; 7848803; 8151540; 10527896; 11533956; 15219736; 24859202; 24891513; 29215357; 29215358; 29221466; 46508979; 47365376; 48334676; 48415603; 49874104; 50176612; 56459416; 57321239; 57648640; 58694180; 103165760; 104300174; 118189912; 124892181; 125332012; 125736552; 126677738; 127897641; 134338564; 134970868; 137003152; 137204186; 139051997; 144076045; 144205203; 152042447; 160964740; 163120017; 164836116; 164836117; 165319864; 170465829; 175265443; 175442207; 175611463 DR0175 DRUG__ID DR0175 DR0175 DRUGNAME Barnidipine DR0175 PUBCMCID 443869 DR0175 DFORMULA C27H29N3O6 DR0175 INCHIKEY VXMOONUMYLCFJD-DHLKQENFSA-N DR0175 DRUINCHI 1S/C27H29N3O6/c1-17-23(26(31)35-3)25(20-10-7-11-21(14-20)30(33)34)24(18(2)28-17)27(32)36-22-12-13-29(16-22)15-19-8-5-4-6-9-19/h4-11,14,22,25,28H,12-13,15-16H2,1-3H3/t22-,25-/m0/s1 DR0175 CASMILES CC1=C(C(C(=C(N1)C)C(=O)OC2CCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC DR0175 CAS__NUM CAS 104713-75-9 DR0175 CHEBINUM 135793 DR0177 DRUG__ID DR0177 DR0177 DRUGNAME Bazedoxifene DR0177 PUBCMCID 154257 DR0177 TTDRUGID D0JY8T DR0177 DFORMULA C30H34N2O3 DR0177 INCHIKEY UCJGJABZCDBEDK-UHFFFAOYSA-N DR0177 DRUINCHI 1S/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3 DR0177 CASMILES CC1=C(N(C2=C1C=C(C=C2)O)CC3=CC=C(C=C3)OCCN4CCCCCC4)C5=CC=C(C=C5)O DR0177 CAS__NUM CAS 198481-32-2 DR0177 CHEBINUM 135947 DR0177 PUBCMSID 5417414; 10252039; 14907497; 46230413; 50409595; 103224092; 103996451; 104438324; 125669539; 129348176; 135129358; 137115372; 142033963; 160647805; 162810855; 163621139; 175267431; 178103927; 179150132; 185964861; 198992700; 204379955; 223780042; 226426848; 251971047; 252434487; 252477814 DR0178 DRUG__ID DR0178 DR0178 DRUGNAME Beclabuvir DR0178 PUBCMCID 49773361 DR0178 DFORMULA C36H45N5O5S DR0178 INCHIKEY ZTTKEBYSXUCBSE-VSBZUFFNSA-N DR0178 DRUINCHI 1S/C36H45N5O5S/c1-38(2)47(44,45)37-34(42)23-10-14-28-31(16-23)40-21-36(35(43)41-24-11-12-25(41)20-39(3)19-24)18-30(36)29-17-26(46-4)13-15-27(29)33(40)32(28)22-8-6-5-7-9-22/h10,13-17,22,24-25,30H,5-9,11-12,18-21H2,1-4H3,(H,37,42)/t24?,25?,30-,36-/m0/s1 DR0178 CASMILES CN1CC2CCC(C1)N2C(=O)C34CC3C5=C(C=CC(=C5)OC)C6=C(C7=C(N6C4)C=C(C=C7)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8 DR0178 CAS__NUM CAS 958002-33-0 DR0180 DRUG__ID DR0180 DR0180 DRUGNAME Beclomethasone dipropionate DR0180 PUBCMCID 21700 DR0180 TTDRUGID D07DVK DR0180 DFORMULA C28H37ClO7 DR0180 INCHIKEY KUVIULQEHSCUHY-XYWKZLDCSA-N DR0180 DRUINCHI 1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1 DR0180 CASMILES CCC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)O)C)C)OC(=O)CC DR0180 CAS__NUM CAS 5534-09-8 DR0180 CHEBINUM 3002 DR0182 DRUG__ID DR0182 DR0182 DRUGNAME Bedaquiline fumarate DR0182 PUBCMCID 24812732 DR0182 TTDRUGID D0Y4QG DR0182 DFORMULA C36H35BrN2O6 DR0182 INCHIKEY ZLVSPMRFRHMMOY-WWCCMVHESA-N DR0182 DRUINCHI 1S/C32H31BrN2O2.C4H4O4/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3;5-3(6)1-2-4(7)8/h4-17,20-21,30,36H,18-19H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t30-,32-;/m1./s1 DR0182 CASMILES CN(C)CCC(C1=CC=CC2=CC=CC=C21)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O.C(=CC(=O)O)C(=O)O DR0182 CAS__NUM CAS 845533-86-0 DR0182 CHEBINUM 72295 DR0183 DRUG__ID DR0183 DR0183 DRUGNAME Befunolol DR0183 PUBCMCID 2309 DR0183 DFORMULA C16H21NO4 DR0183 INCHIKEY ZPQPDBIHYCBNIG-UHFFFAOYSA-N DR0183 DRUINCHI 1S/C16H21NO4/c1-10(2)17-8-13(19)9-20-14-6-4-5-12-7-15(11(3)18)21-16(12)14/h4-7,10,13,17,19H,8-9H2,1-3H3 DR0183 CASMILES CC(C)NCC(COC1=CC=CC2=C1OC(=C2)C(=O)C)O DR0183 CAS__NUM CAS 39552-01-7 DR0183 CHEBINUM 135212 DR0184 DRUG__ID DR0184 DR0184 DRUGNAME Belinostat DR0184 PUBCMCID 6918638 DR0184 TTDRUGID D0XT6W DR0184 DFORMULA C15H14N2O4S DR0184 INCHIKEY NCNRHFGMJRPRSK-MDZDMXLPSA-N DR0184 DRUINCHI 1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+ DR0184 CASMILES C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C=CC(=O)NO DR0184 CAS__NUM CAS 866323-14-0 DR0184 CHEBINUM 61076 DR0184 PUBCMSID 12015640; 14899204; 17195013; 43530003; 48426953; 56374291; 57371991; 71821512; 79324295; 87226498; 87352001; 96025553; 99436973; 103572083; 104222411; 114788279; 124756987; 125163792; 126639499; 126671543; 126731246; 131480674; 134339486; 134964364; 135195315; 135727448; 136367285; 136368059; 136920289; 137008794; 142692247; 143496443; 144115689; 152234942; 152258138; 152344183; 160646977; 162011830; 162037424; 164041886; 164193975; 164202300; 170497642; 174529326; 175608161; 177748389; 179236375; 186022467; 187051798; 188899535 DR0186 DRUG__ID DR0186 DR0186 DRUGNAME Benazepril DR0186 PUBCMCID 5362124 DR0186 TTDRUGID D0U3EC DR0186 DFORMULA C24H28N2O5 DR0186 INCHIKEY XPCFTKFZXHTYIP-PMACEKPBSA-N DR0186 DRUINCHI 1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1 DR0186 CASMILES CCOC(=O)C(CCC1=CC=CC=C1)NC2CCC3=CC=CC=C3N(C2=O)CC(=O)O DR0186 CAS__NUM CAS 86541-75-5 DR0186 CHEBINUM 3011 DR0186 PUBCMSID 9061; 11364868; 11367430; 11369992; 11372806; 11373951; 11378161; 11484079; 11488298; 11491489; 11492101; 11495736; 11533499; 11654004; 14856184; 14880498; 29217496; 39384400; 46507884; 47291378; 47960005; 48415605; 49877926; 50111699; 50171976; 51091824; 53788310; 85787982; 93166958; 94568986; 103220490; 103931866; 114149713; 117871221; 124893187; 126663871; 127334967; 127334968; 127334969; 127334970; 127334971; 127334972; 127334973; 127334974; 127334975; 127334976; 127334977; 127334978; 129720750; 131328443 DR0187 DRUG__ID DR0187 DR0187 DRUGNAME Bencyclane DR0187 PUBCMCID 2312 DR0187 DFORMULA C19H31NO DR0187 INCHIKEY FYJJXENSONZJRG-UHFFFAOYSA-N DR0187 DRUINCHI 1S/C19H31NO/c1-20(2)15-10-16-21-19(13-8-3-4-9-14-19)17-18-11-6-5-7-12-18/h5-7,11-12H,3-4,8-10,13-17H2,1-2H3 DR0187 CASMILES CC(C)NCC(COC1=CC=CC2=C1OC(=C2)C(=O)C)O DR0187 CAS__NUM CAS 2179-37-5 DR0187 CHEBINUM 135205 DR0188 DRUG__ID DR0188 DR0188 DRUGNAME Bendamustine DR0188 PUBCMCID 65628 DR0188 TTDRUGID D01CYA DR0188 DFORMULA C16H21Cl2N3O2 DR0188 INCHIKEY YTKUWDBFDASYHO-UHFFFAOYSA-N DR0188 DRUINCHI 1S/C16H21Cl2N3O2/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23/h5-6,11H,2-4,7-10H2,1H3,(H,22,23) DR0188 CASMILES CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)O DR0188 CAS__NUM CAS 16506-27-7 DR0188 CHEBINUM 135515 DR0188 PUBCMSID 590536; 6267839; 8189814; 14901248; 43122399; 49882625; 50064534; 50125886; 51091826; 53790479; 57315623; 77194776; 103590063; 104334244; 125093188; 126616720; 126646730; 126669991; 135021598; 135200933; 136946484; 137006822; 143108248; 144115692; 144206324; 163305696; 170465340; 174007431; 175267866; 176225504; 176484647; 176484951; 179322551; 187051781; 196111115; 198993387; 215780746; 224321241; 226414200; 242059805; 244970987; 249862320; 250201937; 251899454; 251916785; 251918024; 252076446; 252345440; 252416248 DR0190 DRUG__ID DR0190 DR0190 DRUGNAME Benidipine DR0190 PUBCMCID 656668 DR0190 DFORMULA C28H31N3O6 DR0190 INCHIKEY QZVNQOLPLYWLHQ-ZEQKJWHPSA-N DR0190 DRUINCHI 1S/C28H31N3O6/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20/h4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3/t23-,26-/m1/s1 DR0190 CASMILES CC1=C(C(C(=C(N1)C)C(=O)OC2CCCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC DR0190 CAS__NUM CAS 105979-17-7 DR0192 DRUG__ID DR0192 DR0192 DRUGNAME Benzatropine DR0192 PUBCMCID 1201549 DR0192 DFORMULA C21H25NO DR0192 INCHIKEY GIJXKZJWITVLHI-YOFSQIOKSA-N DR0192 DRUINCHI 1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20? DR0192 CASMILES CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4 DR0192 CAS__NUM CAS 86-13-5 DR0192 CHEBINUM 3048 DR0193 DRUG__ID DR0193 DR0193 DRUGNAME Benzbromarone DR0193 PUBCMCID 2333 DR0193 TTDRUGID D0Z3DY DR0193 DFORMULA C17H12Br2O3 DR0193 INCHIKEY WHQCHUCQKNIQEC-UHFFFAOYSA-N DR0193 DRUINCHI 1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3 DR0193 CASMILES CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)O)Br DR0193 CAS__NUM CAS 3562-84-3 DR0193 CHEBINUM 3023 DR0193 PUBCMSID 122758; 221763; 855676; 4253342; 4572619; 7848119; 8139271; 8151561; 10320943; 10321664; 11110651; 11446236; 11458917; 11461081; 11466398; 11467518; 11486156; 11533498; 15329540; 24424558; 24891861; 26653345; 26664708; 29221503; 46386951; 47291274; 47810917; 47959937; 48185143; 48259414; 48415612; 49681786; 49698460; 49988150; 50100155; 50103990; 50804618; 56422114; 57321259; 57653945; 76715662; 85787503; 89471954; 92125465; 92308014; 92308634; 92722452; 99450936; 103513016; 103914152 DR0195 DRUG__ID DR0195 DR0195 DRUGNAME Benzethonium DR0195 PUBCMCID 2335 DR0195 DFORMULA C27H42NO2+ DR0195 INCHIKEY SIYLLGKDQZGJHK-UHFFFAOYSA-N DR0195 DRUINCHI 1S/C27H42NO2/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23/h8-16H,17-22H2,1-7H3/q+1 DR0195 CASMILES CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2 DR0195 CAS__NUM CAS 10172-60-8 DR0195 CHEBINUM 94725 DR0197 DRUG__ID DR0197 DR0197 DRUGNAME Benzodiazepine DR0197 PUBCMCID 134664 DR0197 TTDRUGID D0CS6N DR0197 DFORMULA C9H8N2 DR0197 INCHIKEY SVUOLADPCWQTTE-UHFFFAOYSA-N DR0197 DRUINCHI 1S/C9H8N2/c1-2-6-9-8(4-1)5-3-7-10-11-9/h1-7,11H DR0197 CASMILES C1=CC=C2C(=C1)C=CC=NN2 DR0197 CAS__NUM CAS 12794-10-4 DR0198 DRUG__ID DR0198 DR0198 DRUGNAME Benzphetamine DR0198 PUBCMCID 5311017 DR0198 TTDRUGID D0T5UL DR0198 DFORMULA C17H21N DR0198 INCHIKEY YXKTVDFXDRQTKV-HNNXBMFYSA-N DR0198 DRUINCHI 1S/C17H21N/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3/t15-/m0/s1 DR0198 CASMILES CC(CC1=CC=CC=C1)N(C)CC2=CC=CC=C2 DR0198 CAS__NUM CAS 156-08-1 DR0198 CHEBINUM 3044 DR0198 PUBCMSID 7978770; 11056212; 16755070; 39340748; 46506102; 48415616; 51016290; 57359323; 92740969; 114155064; 136075686; 137001240; 138314525; 175267688; 179116575; 226432951; 252347855 DR0199 DRUG__ID DR0199 DR0199 DRUGNAME CAM-2028 DR0199 PUBCMCID 12555 DR0199 TTDRUGID D06FJO DR0199 DFORMULA C19H23N3O DR0199 INCHIKEY CNBGNNVCVSKAQZ-UHFFFAOYSA-N DR0199 DRUINCHI 1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3 DR0199 CASMILES CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3 DR0199 CAS__NUM CAS 642-72-8 DR0199 CHEBINUM 40538 DR0199 PUBCMSID 3249272; 7363241; 8159401; 10531547; 11112291; 11466325; 11467445; 11486189; 14874196; 29280766; 47275667; 47573479; 47720705; 48394035; 49698422; 49834400; 49982452; 50100409; 51091839; 57327692; 76715658; 77054122; 85788423; 88727191; 92309318; 92714382; 93625695; 103172857; 103993136; 104329316; 117474939; 117522969; 117843309; 125324610; 126624183; 126674680; 127649080; 131813289; 134976246; 137001338; 142768192; 144054864; 160657813; 162186786; 166244320; 176484560; 179149820; 184644018; 198937676; 223365688 DR0200 DRUG__ID DR0200 DR0200 DRUGNAME Benzyl alcohol DR0200 PUBCMCID 244 DR0200 TTDRUGID D05OIS DR0200 DFORMULA C7H8O DR0200 INCHIKEY WVDDGKGOMKODPV-UHFFFAOYSA-N DR0200 DRUINCHI 1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 DR0200 CASMILES C1=CC=C(C=C1)CO DR0200 CAS__NUM CAS 100-51-6 DR0200 CHEBINUM 17987 DR0200 PUBCMSID 2164; 3836; 6297; 73758; 587792; 3132108; 5178809; 7847145; 8143930; 8150528; 10502142; 11528259; 14709092; 15146429; 17390015; 24846793; 24848025; 24854469; 24858412; 24861264; 24865125; 24867866; 24900875; 24900876; 30696025; 31515922; 33681057; 36527218; 37348387; 37385424; 48413281; 48415620; 48417059; 48421996; 48422939; 48424873; 50522604; 56370468; 57304177; 57309783; 57320069; 57646818; 57647066; 57648059; 57648443; 57649227; 61013394; 81054243; 85084106; 85084107 DR0202 DRUG__ID DR0202 DR0202 DRUGNAME Bepridil hydrochloride DR0202 PUBCMCID 50088 DR0202 TTDRUGID D0Y4JJ DR0202 DFORMULA C24H35ClN2O DR0202 INCHIKEY JXBBWYGMTNAYNM-UHFFFAOYSA-N DR0202 DRUINCHI 1S/C24H34N2O.ClH/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22;/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3;1H DR0202 CASMILES CC(C)COCC(CN(CC1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3.Cl DR0202 CAS__NUM CAS 68099-86-5 DR0202 CHEBINUM 52712 DR0203 DRUG__ID DR0203 DR0203 DRUGNAME Beraprost DR0203 PUBCMCID 6917951 DR0203 DFORMULA C24H30O5 DR0203 INCHIKEY CTPOHARTNNSRSR-APJZLKAGSA-N DR0203 DRUINCHI 1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)/b13-12+/t15?,17-,19+,20+,21-,23-/m0/s1 DR0203 CASMILES CC#CCC(C)C(C=CC1C(CC2C1C3=CC=CC(=C3O2)CCCC(=O)O)O)O DR0203 CAS__NUM CAS 88430-50-6 DR0203 CHEBINUM 135633 DR0204 DRUG__ID DR0204 DR0204 DRUGNAME Beta carotene DR0204 PUBCMCID 5280489 DR0204 TTDRUGID D0MY8N DR0204 DFORMULA C40H56 DR0204 INCHIKEY OENHQHLEOONYIE-JLTXGRSLSA-N DR0204 DRUINCHI 1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+ DR0204 CASMILES CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C DR0204 CAS__NUM CAS 7235-40-7 DR0204 CHEBINUM 17579 DR0206 DRUG__ID DR0206 DR0206 DRUGNAME Betaxolol DR0206 PUBCMCID 2369 DR0206 TTDRUGID D03ROX DR0206 DFORMULA C18H29NO3 DR0206 INCHIKEY NWIUTZDMDHAVTP-UHFFFAOYSA-N DR0206 DRUINCHI 1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3 DR0206 CASMILES CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O DR0206 CAS__NUM CAS 63659-18-7 DR0206 CHEBINUM 3082 DR0206 PUBCMSID 9067; 4422029; 7978782; 8151588; 11466410; 11467530; 11486220; 14776435; 26751960; 29221537; 46506041; 47285407; 47656606; 47953968; 48328568; 48403963; 48415634; 49698465; 50022975; 50104633; 50655308; 51091849; 57321285; 85208966; 85788861; 90341580; 92308843; 92719119; 92729932; 96099855; 103164936; 103936438; 104171116;104300392; 124749530; 124879433; 124879434; 124879436; 125329917; 126621071; 126650548; 126670422; 128764229; 131322111; 134337617; 135004759; 135565733; 135649987; 135692415; 137111818 DR0207 DRUG__ID DR0207 DR0207 DRUGNAME Bevantolol DR0207 PUBCMCID 2372 DR0207 TTDRUGID D01SAT DR0207 DFORMULA C20H27NO4 DR0207 INCHIKEY HXLAFSUPPDYFEO-UHFFFAOYSA-N DR0207 DRUINCHI 1S/C20H27NO4/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3 DR0207 CASMILES CC1=CC(=CC=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O DR0207 CAS__NUM CAS 59170-23-9 DR0207 CHEBINUM 238698 DR0207 PUBCMSID 421943; 4422032; 8151591; 14952538; 29221540; 46506014; 50023137; 50749008; 57321288; 85220220; 85431913; 96099850; 103292500; 104300401; 127079310; 128127039; 134338174; 135144541; 136948561; 137149322; 142059896; 160964610; 162173227; 163693492; 163853213; 168287480; 172861635; 179150476; 224982727; 226433399; 250218234; 251916825; 251918064; 252455906 DR0208 DRUG__ID DR0208 DR0208 DRUGNAME Bexarotene DR0208 PUBCMCID 82146 DR0208 TTDRUGID D0N0RU DR0208 DFORMULA C24H28O2 DR0208 INCHIKEY NAVMQTYZDKMPEU-UHFFFAOYSA-N DR0208 DRUINCHI 1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26) DR0208 CASMILES CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C DR0208 CAS__NUM CAS 153559-49-0 DR0208 CHEBINUM 50859 DR0208 PUBCMSID 7978490; 10219206; 11528625; 14876119; 17397261; 43137306; 46509119; 50125754; 50156197; 53790324; 56310969; 56313259; 56313930; 56352964; 57288573; 57333349; 74382986; 85246146; 87550948; 92308910; 93167039; 103274364; 103941130; 104379861; 118314715; 124893632; 124893633; 125341807; 126591248; 126646347; 126667092; 127324027; 127324028; 127324029; 127324030; 127324031; 127324032; 127324033; 128675752; 131300153; 131407703; 134220606; 134337590; 135037531; 135650520; 135692419; 136340346; 136946490; 137002663; 142405765 DR0209 DRUG__ID DR0209 DR0209 DRUGNAME Bezafibrate DR0209 PUBCMCID 39042 DR0209 TTDRUGID D00WCX DR0209 DFORMULA C19H20ClNO4 DR0209 INCHIKEY IIBYAHWJQTYFKB-UHFFFAOYSA-N DR0209 DRUINCHI 1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24) DR0209 CASMILES CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl DR0209 CAS__NUM CAS 41859-67-0 DR0209 CHEBINUM 47612 DR0209 PUBCMSID 855877; 3221863; 4720908; 7848429; 7978783; 8149814; 8175852; 10321679; 11112764; 11121379; 11121859; 11335267; 11360506; 11362448; 11364337; 11365010; 11366899; 11367572; 11369461; 11370167; 11370168; 11372718; 11373173; 11373808; 11375734; 11377623; 11461478; 11466406; 11467526; 11484560; 11486192; 11488738; 11491315; 11492140; 11495257; 12015374; 14926008; 24891983; 26612282; 26680411; 26747025; 26747026; 26751545; 26751546; 26751547; 29214784; 34704995; 46509188; 47217032; 47291353 DR0210 DRUG__ID DR0210 DR0210 DRUGNAME Bicalutamide DR0210 PUBCMCID 2375 DR0210 TTDRUGID D0V9BD DR0210 DFORMULA C18H14F4N2O4S DR0210 INCHIKEY LKJPYSCBVHEWIU-UHFFFAOYSA-N DR0210 DRUINCHI 1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25) DR0210 CASMILES CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O DR0210 CAS__NUM CAS 90357-06-5 DR0210 CHEBINUM 3090 DR0210 PUBCMSID 10360; 536636; 4422035; 7848024; 7978493; 8151593; 11528703; 12014029; 14807515; 26719836; 29221542; 46386630; 46505386; 46518598; 49681685; 49835627; 50113021; 50709017; 53790604; 57321290; 85174226; 85174230; 90341766; 91610973; 92308263; 92308948; 92711409; 93815120; 99016301; 99437214; 103164349; 104300407; 118046574; 121362017; 124658945; 124757067; 124800143; 124893438; 125163871; 125338410; 125359510; 125545351; 126630887; 126657361; 126665838; 128501765; 131295154; 134358448; 135014383; 135649993 DR0211 DRUG__ID DR0211 DR0211 DRUGNAME DOV-220075 DR0211 PUBCMCID 47953 DR0211 TTDRUGID D03QIE DR0211 DFORMULA C12H15N DR0211 INCHIKEY OFYVIGTWSQPCLF-UHFFFAOYSA-N DR0211 DRUINCHI 1S/C12H15N/c1-9-2-4-10(5-3-9)12-6-11(12)7-13-8-12/h2-5,11,13H,6-8H2,1H3 DR0211 CASMILES CC1=CC=C(C=C1)C23CC2CNC3 DR0211 CAS__NUM CAS 71195-57-8 DR0211 PUBCMSID 8180475; 12015676; 15147197; 33622062; 34712882; 57313166; 79431140; 103585713; 104354237; 126418129; 126684829; 128803524; 131324463; 132554357; 134339221; 134357076; 135047654; 136996475; 137006897; 139258240; 143493258; 152238496; 162121875; 163366968; 170495860; 175426892; 179150997; 223679616; 224051267; 226424261; 241117407; 249808189 DR0212 DRUG__ID DR0212 DR0212 DRUGNAME GS-9883 DR0212 PUBCMCID 90311989 DR0212 DFORMULA C21H18F3N3O5 DR0212 INCHIKEY SOLUWJRYJLAZCX-LYOVBCGYSA-N DR0212 DRUINCHI 1S/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1 DR0212 CASMILES C1CC2CC1N3C(O2)CN4C=C(C(=O)C(=C4C3=O)O)C(=O)NCC5=C(C=C(C=C5F)F)F DR0212 CAS__NUM CAS 1611493-60-7 DR0213 DRUG__ID DR0213 DR0213 DRUGNAME Bimatoprost DR0213 PUBCMCID 5311027 DR0213 TTDRUGID D0Q2XF DR0213 DFORMULA C25H37NO4 DR0213 INCHIKEY AQOKCDNYWBIDND-FTOWTWDKSA-N DR0213 DRUINCHI 1S/C25H37NO4/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)17-16-20(27)15-14-19-10-6-5-7-11-19/h3,5-8,10-11,16-17,20-24,27-29H,2,4,9,12-15,18H2,1H3,(H,26,30)/b8-3-,17-16+/t20-,21+,22+,23-,24+/m0/s1 DR0213 CASMILES CCNC(=O)CCCC=CCC1C(CC(C1C=CC(CCC2=CC=CC=C2)O)O)O DR0213 CAS__NUM CAS 155206-00-1 DR0213 CHEBINUM 51230 DR0213 PUBCMSID 7978793; 11056218; 11528907; 12015127; 14855657; 14880018; 17396891; 17403938; 39340757; 46505334; 50126297; 50464908; 56464316;71851420; 90342416; 90342418; 99443334; 103770946; 114155088; 126592972; 126666993; 134223006; 134338457; 135256698; 135649995; 137005798; 142063913; 152134985; 152344136; 160964244; 162180462; 174548912; 175266561; 175437834; 179150000; 210279322; 210281645; 223392784; 223660297; 223704349; 224493205; 226412773; 250184579; 251912536; 251915515; 252214992; 252448483; 252822160 DR0214 DRUG__ID DR0214 DR0214 DRUGNAME Binimetinib DR0214 PUBCMCID 10288191 DR0214 TTDRUGID D0C4LF DR0214 DFORMULA C17H15BrF2N4O3 DR0214 INCHIKEY ACWZRVQXLIRSDF-UHFFFAOYSA-N DR0214 DRUINCHI 1S/C17H15BrF2N4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26) DR0214 CASMILES CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)F)C(=O)NOCCO DR0214 CAS__NUM CAS 606143-89-9 DR0214 CHEBINUM 145371 DR0214 PUBCMSID 15294150; 22663761; 35560186; 76385017; 136920431; 139722085; 152256088; 152258645; 160647480; 162011797; 162108908; 163750757; 164042001; 172919200; 174006430; 174529974; 185990487; 198988096; 223386768; 223705205; 225848212; 226876700; 242590736; 243963093; 249565604; 252215762; 252450328; 252554049 DR0216 DRUG__ID DR0216 DR0216 DRUGNAME Bisoprolol DR0216 PUBCMCID 2405 DR0216 TTDRUGID D0K3ZR DR0216 DFORMULA C18H31NO4 DR0216 INCHIKEY VHYCDWMUTMEGQY-UHFFFAOYSA-N DR0216 DRUINCHI 1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3 DR0216 CASMILES CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O DR0216 CAS__NUM CAS 66722-44-9 DR0216 CHEBINUM 3127 DR0216 PUBCMSID 9070; 6397832; 7849401; 7978798; 8151612; 11466358; 11467478; 11485996; 14951172; 26751965; 29215032; 29221570; 46508844; 47285419; 47285420; 47879647; 48104705; 48415642; 49699358; 50023479; 50104637; 50166062; 56413039; 56464171; 57321305; 81065494; 85208973; 90341096; 92716755; 93619375; 103189070; 104300491; 109658185;115354126; 118312879; 124886954; 125355820; 126603351; 126622710; 126635370; 126685320; 129477689; 134337776; 135008344; 135556373; 136368040; 137248548; 142472789; 143438128; 144115721 DR0217 DRUG__ID DR0217 DR0217 DRUGNAME Bleomycin DR0217 PUBCMCID 5360373 DR0217 TTDRUGID D06UVD DR0217 DFORMULA C55H84N17O21S3+ DR0217 INCHIKEY OYVAGSVQBOHSSS-WXFSZRTFSA-O DR0217 DRUINCHI 1S/C55H83N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88)/p+1/t21-,22+,23+,24-,25-,29?,30?,34-,35-,36-,37?,38?,39?,40?,41-,42?,43?,53?,54?/m0/s1 DR0217 CASMILES CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O DR0217 CAS__NUM CAS 11056-06-7 DR0217 CHEBINUM 3139 DR0217 PUBCMSID 39383966; 46509116; 49854722; 53788293; 57361999; 74382089; 80882044; 114148193; 124766119; 134989412; 160963638; 176262128; 179661650 DR0218 DRUG__ID DR0218 DR0218 DRUGNAME Boceprevir DR0218 PUBCMCID 10324367 DR0218 TTDRUGID D0V3YT DR0218 DFORMULA C27H45N5O5 DR0218 INCHIKEY LHHCSNFAOIFYRV-DOVBMPENSA-N DR0218 DRUINCHI 1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,20+/m0/s1 DR0218 CASMILES CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCC3)C(=O)C(=O)N)C DR0218 CAS__NUM CAS 394730-60-0 DR0218 CHEBINUM 68621 DR0218 PUBCMSID 15333889; 22433429; 22693607; 41390184; 46512784; 57374555; 57414843; 79603721; 92309409; 96025559; 103500897; 109692987; 134348397; 135216213; 137186019; 137251857; 139040316; 152258143; 160645839; 160646982; 162256796; 163667336; 164837112; 175427026; 175427127; 176245990; 180371765; 198992422; 223366205; 223669397; 226940314; 245972903; 249582863; 251970943; 252076908 DR0220 DRUG__ID DR0220 DR0220 DRUGNAME Bopindolol DR0220 PUBCMCID 44112 DR0220 TTDRUGID D0H5MB DR0220 DFORMULA C23H28N2O3 DR0220 INCHIKEY UUOJIACWOAYWEZ-UHFFFAOYSA-N DR0220 DRUINCHI 1S/C23H28N2O3/c1-16-13-19-20(25-16)11-8-12-21(19)27-15-18(14-24-23(2,3)4)28-22(26)17-9-6-5-7-10-17/h5-13,18,24-25H,14-15H2,1-4H3 DR0220 CASMILES CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C3=CC=CC=C3 DR0220 CAS__NUM CAS 62658-63-3 DR0220 CHEBINUM 143782 DR0221 DRUG__ID DR0221 DR0221 DRUGNAME Bortezomib DR0221 PUBCMCID 387447 DR0221 TTDRUGID D0SH3I DR0221 DFORMULA C19H25BN4O4 DR0221 INCHIKEY GXJABQQUPOEUTA-RDJZCZTQSA-N DR0221 DRUINCHI 1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1 DR0221 CASMILES B(C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O DR0221 CAS__NUM CAS 179324-69-7 DR0221 CHEBINUM 52717 DR0221 PUBCMSID 518755; 600019; 10276517; 11433362; 12015194; 14853748; 17137090; 17397304; 46508736; 50726119; 53787350; 56311715; 56311812; 56312401; 56313329; 56314055; 56314414; 56314469; 56314470; 57402302; 85096715; 87325438; 91611228; 99432365; 99443946; 103338073; 103963945; 104603020; 118048485; 118318599; 121360388; 124756934; 124950705; 125163741; 134340388; 135696579; 136023422; 136342479; 136367512; 136920302; 137030372; 141858114; 143497187; 144206183; 144206225; 152049125; 152239004; 152344341; 160829216; 160968549 DR0222 DRUG__ID DR0222 DR0222 DRUGNAME Bosentan DR0222 PUBCMCID 104865 DR0222 TTDRUGID D0U4CE DR0222 DFORMULA C27H29N5O6S DR0222 INCHIKEY GJPICJJJRGTNOD-UHFFFAOYSA-N DR0222 DRUINCHI 1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32) DR0222 CASMILES CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC DR0222 CAS__NUM CAS 147536-97-8 DR0222 CHEBINUM 51450 DR0222 PUBCMSID 7978805; 10233650; 12014838; 14763764; 44434454; 46507154; 47285934; 48179783; 49831038; 49881484; 50112694; 50840650; 51091861; 53787963; 56464382; 57337889; 85209778; 92309270; 92714194; 93581179; 93619683; 103250068; 103956688; 104179184; 104373115; 118855338; 125341362; 126592988; 126624339; 126655593;126671144; 127344134; 127344135; 127344136; 127963291; 131299472; 134337358; 134339787; 135143300; 135723687; 137003210; 142094009; 143493318; 144115748; 144205997; 151991482; 152237729; 152258948; 160647793; 160963904 DR0224 DRUG__ID DR0224 DR0224 DRUGNAME Bosutinib DR0224 PUBCMCID 5328940 DR0224 TTDRUGID D0OB0F DR0224 DFORMULA C26H29Cl2N5O3 DR0224 INCHIKEY UBPYILGKFZZVDX-UHFFFAOYSA-N DR0224 DRUINCHI 1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31) DR0224 CASMILES CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC DR0224 CAS__NUM CAS 380843-75-4 DR0224 CHEBINUM 39112 DR0224 PUBCMSID 8034215; 11061176; 14720373; 14885411; 17397405; 26676000; 26746630; 39301565; 53641516; 56459346; 57361290; 85246176; 92721109; 103220856; 113911152; 118844931; 124950167; 125011711; 125349351; 126627733; 126647930; 126666992; 126731247; 134339019; 134964339; 135246638; 135642791; 135684978; 135685144; 135685145; 135685164; 135697655; 136340225; 136368026; 136920303; 137127131; 139943916; 143495997; 144115749; 152041940; 152234943; 152258097; 152344342; 160646936; 162011701; 162170730; 162201602; 162256836; 163884826; 164041898 DR0225 DRUG__ID DR0225 DR0225 DRUGNAME Brentuximab vedotin DR0225 TTDRUGID D03TIS DR0225 CAS__NUM CAS 914088-09-8 DR0226 DRUG__ID DR0226 DR0226 DRUGNAME Brexanolone DR0226 PUBCMCID 92786 DR0226 TTDRUGID D00VZZ DR0226 DFORMULA C21H34O2 DR0226 INCHIKEY AURFZBICLPNKBZ-SYBPFIFISA-N DR0226 DRUINCHI 1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1 DR0226 CASMILES CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C DR0226 CAS__NUM CAS 516-54-1 DR0226 CHEBINUM 50169 DR0226 PUBCMSID 586301; 7978606; 10225577; 12208574; 14826064; 14923739; 24278659; 44423581; 47513077; 47586678; 49836635; 50019556;57335345; 74846894; 85300819; 85788331; 87550959; 92298224; 93167087; 95613568; 103489280; 104074460; 104408358; 124583834; 124892416; 126524062; 126688946; 127461832; 134350081; 135049778; 144205595; 144238831; 162089001; 178100930; 179236194; 184545674; 198958618; 198993875; 223672111; 224946688; 226892359; 241204043 DR0227 DRUG__ID DR0227 DR0227 DRUGNAME Brexpiprazole DR0227 PUBCMCID 11978813 DR0227 TTDRUGID D0P0OU DR0227 DFORMULA C25H27N3O2S DR0227 INCHIKEY ZKIAIYBUSXZPLP-UHFFFAOYSA-N DR0227 DRUINCHI 1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29) DR0227 CASMILES C1CN(CCN1CCCCOC2=CC3=C(C=C2)C=CC(=O)N3)C4=C5C=CSC5=CC=C4 DR0227 CAS__NUM CAS 913611-97-9 DR0227 CHEBINUM 134716 DR0227 PUBCMSID 17430973; 24493277; 37428177; 79715900; 135260821; 160681960; 172232423; 198965857; 210275354; 210281002; 223366007; 224408048; 227287852; 239744777; 244712033; 249736841; 252154296; 252448206; 252811606 DR0228 DRUG__ID DR0228 DR0228 DRUGNAME Brigatinib DR0228 PUBCMCID 68165256 DR0228 TTDRUGID D08PIE DR0228 DFORMULA C29H39ClN7O2P DR0228 INCHIKEY AILRADAXUVEEIR-UHFFFAOYSA-N DR0228 DRUINCHI 1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34) DR0228 CASMILES CN1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC DR0228 CAS__NUM CAS 1350848-43-9; CAS 1197953-54-0 DR0228 CHEBINUM 3545311 DR0229 DRUG__ID DR0229 DR0229 DRUGNAME Brinzolamide DR0229 PUBCMCID 68844 DR0229 TTDRUGID D01MUR DR0229 DFORMULA C12H21N3O5S3 DR0229 INCHIKEY HCRKCZRJWPKOAR-JTQLQIEISA-N DR0229 DRUINCHI 1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1 DR0229 CASMILES CCNC1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC DR0229 CAS__NUM CAS 138890-62-7 DR0229 CHEBINUM 3176 DR0229 PUBCMSID 9962; 7847718; 7886394; 8192384; 11466393; 11467513; 11486146; 11528766; 12015162; 14780300; 14878101; 26718765; 29214990; 43125358; 46394376; 46507071; 46511455; 47871124; 47871125; 48020430; 48395296; 49699073; 56463043; 57317102; 74925916; 85788886; 87325228; 92125455; 92721410; 92729740; 93166197; 103914463; 104234232; 104343207; 109692908; 117630731; 118048468; 121363126; 124800916; 126627643; 126659540; 126661718; 128041764; 134337893; 135028809; 135916574; 137005796; 143102638; 144204273; 152159683 DR0230 DRUG__ID DR0230 DR0230 DRUGNAME Brivaracetam DR0230 PUBCMCID 9837243 DR0230 TTDRUGID D0CT4D DR0230 DFORMULA C11H20N2O2 DR0230 INCHIKEY MSYKRHVOOPPJKU-BDAKNGLRSA-N DR0230 DRUINCHI 1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9+/m1/s1 DR0230 CASMILES CCCC1CC(=O)N(C1)C(CC)C(=O)N DR0230 CAS__NUM CAS 357336-20-0 DR0230 CHEBINUM 133013 DR0230 PUBCMSID 14797750; 22395457; 29195836; 44935336; 57373479; 76633436; 96025562; 103735408; 126671557; 134339227; 137248619; 143057771; 144225791; 162220569; 164151406; 179116990; 198941312; 223668582; 224093931; 226493435; 242768081; 252447391 DR0231 DRUG__ID DR0231 DR0231 DRUGNAME Bromazepam DR0231 PUBCMCID 2441 DR0231 TTDRUGID D0E3FD DR0231 DFORMULA C14H10BrN3O DR0231 INCHIKEY VMIYHDSEFNYJSL-UHFFFAOYSA-N DR0231 DRUINCHI 1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19) DR0231 CASMILES C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3 DR0231 CAS__NUM CAS 1812-30-2 DR0231 CHEBINUM 31302 DR0231 PUBCMSID 426638; 5581001; 7848308; 7849654; 7978819; 8151628; 10511286; 14874497; 24891754; 29221605; 46505694; 49884085; 57321314; 57653933; 58106896; 75316922; 103179428; 104300596; 124360358; 126676319; 129495473; 134338299; 134979543; 136949630; 137001528; 141195787; 160964802; 163049283; 164837136; 164837137; 179148422; 184573827; 198951384; 198991799; 223454298; 223662261; 224436343; 226428244; 250119309 DR0233 DRUG__ID DR0233 DR0233 DRUGNAME Bromocriptine mesylate DR0233 PUBCMCID 31100 DR0233 TTDRUGID D06YFA DR0233 DFORMULA C33H44BrN5O8S DR0233 INCHIKEY NOJMTMIRQRDZMT-GSPXQYRGSA-N DR0233 DRUINCHI 1S/C32H40BrN5O5.CH4O3S/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18;1-5(2,3)4/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39);1H3,(H,2,3,4)/t18-,23-,24+,25+,31-,32+;/m1./s1 DR0233 CASMILES CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O DR0233 CAS__NUM CAS 22260-51-1 DR0233 CHEBINUM 3182 DR0236 DRUG__ID DR0236 DR0236 DRUGNAME Bromperidol DR0236 PUBCMCID 2448 DR0236 TTDRUGID D00SHQ DR0236 DFORMULA C21H23BrFNO2 DR0236 INCHIKEY RKLNONIVDFXQRX-UHFFFAOYSA-N DR0236 DRUINCHI 1S/C21H23BrFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 DR0236 CASMILES C1CN(CCC1(C2=CC=C(C=C2)Br)O)CCCC(=O)C3=CC=C(C=C3)F DR0236 CAS__NUM CAS 10457-90-6 DR0236 CHEBINUM 31305 DR0237 DRUG__ID DR0237 DR0237 DRUGNAME Brotizolam DR0237 PUBCMCID 2451 DR0237 DFORMULA C15H10BrClN4S DR0237 INCHIKEY UMSGKTJDUHERQW-UHFFFAOYSA-N DR0237 DRUINCHI 1S/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3 DR0237 CASMILES CC1=NN=C2N1C3=C(C=C(S3)Br)C(=NC2)C4=CC=CC=C4Cl DR0237 CAS__NUM CAS 57801-81-7 DR0237 CHEBINUM 31308 DR0238 DRUG__ID DR0238 DR0238 DRUGNAME MJ-13105 DR0238 PUBCMCID 51045 DR0238 TTDRUGID D03MZJ DR0238 DFORMULA C22H25N3O2 DR0238 INCHIKEY FBMYKMYQHCBIGU-UHFFFAOYSA-N DR0238 DRUINCHI 1S/C22H25N3O2/c1-22(2,11-17-13-24-20-9-5-4-8-19(17)20)25-14-18(26)15-27-21-10-6-3-7-16(21)12-23/h3-10,13,18,24-26H,11,14-15H2,1-2H3 DR0238 CASMILES CC(C)(CC1=CNC2=CC=CC=C21)NCC(COC3=CC=CC=C3C#N)O DR0238 CAS__NUM CAS 71119-11-4 DR0239 DRUG__ID DR0239 DR0239 DRUGNAME Budesonide DR0239 PUBCMCID 5281004 DR0239 TTDRUGID D0Y7IU DR0239 DFORMULA C25H34O6 DR0239 INCHIKEY VOVIALXJUBGFJZ-KWVAZRHASA-N DR0239 DRUINCHI 1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1 DR0239 CASMILES CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C DR0239 CAS__NUM CAS 51333-22-3 DR0239 CHEBINUM 3207 DR0239 PUBCMSID 855541; 7847312; 7978823; 8616471; 10321783; 11466546; 11467666; 11486132; 11528595; 12013315; 14807548; 14929955; 17404737; 24278277; 39289945; 46504869; 47646553; 47720602; 47869643; 47943751; 48169361; 49698535; 50105232; 53777280; 53789711; 56394980; 56422168; 57357962; 77787022; 81092787; 85787937; 90341081; 90473637; 92125441; 92303636; 92721807; 93576669; 103455384; 103914268; 104170124; 121360873; 121362487; 121363112; 124749512; 124800069; 124886759; 126627527; 126651544; 127278596; 127278597 DR0240 DRUG__ID DR0240 DR0240 DRUGNAME Buflomedil DR0240 PUBCMCID 6420013 DR0240 TTDRUGID D0Z6ST DR0240 DFORMULA C17H26ClNO4 DR0240 INCHIKEY ZDPACSAHMZADFZ-UHFFFAOYSA-N DR0240 DRUINCHI 1S/C17H25NO4.ClH/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18;/h11-12H,4-10H2,1-3H3;1H DR0240 CASMILES COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC.Cl DR0240 CAS__NUM CAS 35543-24-9 DR0241 DRUG__ID DR0241 DR0241 DRUGNAME Bufuralol DR0241 PUBCMCID 71733 DR0241 DFORMULA C16H23NO2 DR0241 INCHIKEY SSEBTPPFLLCUMN-UHFFFAOYSA-N DR0241 DRUINCHI 1S/C16H23NO2/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4/h6-9,13,17-18H,5,10H2,1-4H3 DR0241 CASMILES CCC1=CC=CC2=C1OC(=C2)C(CNC(C)(C)C)O DR0241 CAS__NUM CAS 54340-62-4 DR0241 CHEBINUM 34593 DR0243 DRUG__ID DR0243 DR0243 DRUGNAME Bupivacaine hydrochloride DR0243 PUBCMCID 64737 DR0243 TTDRUGID D0A0FL DR0243 DFORMULA C18H29ClN2O DR0243 INCHIKEY SIEYLFHKZGLBNX-UHFFFAOYSA-N DR0243 DRUINCHI 1S/C18H28N2O.ClH/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3;/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21);1H DR0243 CASMILES CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C.Cl DR0243 CAS__NUM CAS 18010-40-7 DR0243 CHEBINUM 31322 DR0244 DRUG__ID DR0244 DR0244 DRUGNAME Bupranolol DR0244 PUBCMCID 2475 DR0244 DFORMULA C14H22ClNO2 DR0244 INCHIKEY HQIRNZOQPUAHHV-UHFFFAOYSA-N DR0244 DRUINCHI 1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3 DR0244 CASMILES CC1=CC(=C(C=C1)Cl)OCC(CNC(C)(C)C)O DR0244 CAS__NUM CAS 14556-46-8 DR0244 CHEBINUM 135123 DR0246 DRUG__ID DR0246 DR0246 DRUGNAME Buprenorphine hydrochloride DR0246 PUBCMCID 3033050 DR0246 TTDRUGID D06AWE DR0246 DFORMULA C29H42ClNO4 DR0246 INCHIKEY UAIXRPCCYXNJMQ-RZIPZOSSSA-N DR0246 DRUINCHI 1S/C29H41NO4.ClH/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28;/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3;1H/t20-,21-,24-,26+,27-,28+,29-;/m1./s1 DR0246 CASMILES CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O.Cl DR0246 CAS__NUM CAS 53152-21-9 DR0246 CHEBINUM 652822 DR0247 DRUG__ID DR0247 DR0247 DRUGNAME Bupropion DR0247 PUBCMCID 444 DR0247 TTDRUGID D0X4ZR DR0247 DFORMULA C13H18ClNO DR0247 INCHIKEY SNPPWIUOZRMYNY-UHFFFAOYSA-N DR0247 DRUINCHI 1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3 DR0247 CASMILES CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C DR0247 CAS__NUM CAS 34841-39-9 DR0247 CHEBINUM 3219 DR0247 PUBCMSID 9078; 794792; 4652643; 8150639; 11342225; 11362408; 11364557; 11367119; 11369681; 11371567; 11374307; 11377843; 11407107; 11466277; 11467397; 11485553; 11485993; 11487810; 11489475; 11490460; 11492429; 11495477; 15196401; 17425136; 24438813; 46386681; 46506896; 47217436; 47440956; 47515983; 47515984; 47589662; 47960423; 48335208; 48415666; 49681731; 49698964; 49832545; 50023786; 50105235; 51091903; 53786854; 56313588; 57320212; 79472453; 85209446; 85788458; 90340803; 92308360; 92308810 DR0248 DRUG__ID DR0248 DR0248 DRUGNAME Buspirone DR0248 PUBCMCID 2477 DR0248 TTDRUGID D0U2OO DR0248 DFORMULA C21H31N5O2 DR0248 INCHIKEY QWCRAEMEVRGPNT-UHFFFAOYSA-N DR0248 DRUINCHI 1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2 DR0248 CASMILES C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4 DR0248 CAS__NUM CAS 36505-84-7 DR0248 CHEBINUM 3223 DR0248 PUBCMSID 9079; 4652644; 7978828; 8151653; 10589701; 11110857; 11112732; 11113821; 11336096; 11361335; 11364650; 11367212; 11369774; 11377936; 11462307; 11466397; 11467517; 11486154; 11495570; 11533496; 14902734; 24714738; 25671043; 26751994; 29221641; 46508113; 47365265; 47365266; 47440338; 47589062; 47662354; 48259310; 48259311; 48259312; 48415667; 49698848; 49872682; 50104669; 51066541; 51091905; 53790629; 57321342; 85209802; 85787807; 85788842; 90340780; 92309215; 93166677; 103166970; 103916226 DR0249 DRUG__ID DR0249 DR0249 DRUGNAME Busulfan DR0249 PUBCMCID 2478 DR0249 TTDRUGID D07SUG DR0249 DFORMULA C6H14O6S2 DR0249 INCHIKEY COVZYZSDYWQREU-UHFFFAOYSA-N DR0249 DRUINCHI 1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3 DR0249 CASMILES CS(=O)(=O)OCCCCOS(=O)(=O)C DR0249 CAS__NUM CAS 55-98-1 DR0249 CHEBINUM 28901 DR0249 PUBCMSID 9080; 67633; 219854; 3152242; 4652645; 7847314; 7978829; 8136888; 8149226; 8151654; 10321898; 11336022; 11361261; 11362926; 11365488; 11368050; 11371520; 11373837; 11376212; 11445992; 11446841; 11462233; 11483989; 11487883; 11490136; 11492074; 11493906; 11533211; 15221088; 17388889; 17389813; 24891664; 26611631; 26679765; 26747279; 26747280; 26747281; 26752840; 29221642; 46506234; 47365244; 47440312; 47440313; 48414081; 48415668; 48423740; 48424910; 48425335; 49648470; 49855504 DR0250 DRUG__ID DR0250 DR0250 DRUGNAME Butyrfentanyl DR0250 PUBCMCID 621174 DR0250 DFORMULA C23H30N2O DR0250 INCHIKEY QQOMYEQLWQJRKK-UHFFFAOYSA-N DR0250 DRUINCHI 1S/C23H30N2O/c1-2-9-23(26)25(21-12-7-4-8-13-21)22-15-18-24(19-16-22)17-14-20-10-5-3-6-11-20/h3-8,10-13,22H,2,9,14-19H2,1H3 DR0250 CASMILES CCCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3 DR0250 CAS__NUM CAS 1169-70-6 DR0252 DRUG__ID DR0252 DR0252 DRUGNAME Cabazitaxel DR0252 PUBCMCID 9854073 DR0252 TTDRUGID D02HSB DR0252 DFORMULA C45H57NO14 DR0252 INCHIKEY BMQGVNUXMIRLCK-OAGWZNDDSA-N DR0252 DRUINCHI 1S/C45H57NO14/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1 DR0252 CASMILES CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)OC)C)OC DR0252 CAS__NUM CAS 890654-44-1 DR0252 CHEBINUM 63584 DR0252 PUBCMSID 14816121; 16397389; 24148765; 45276379; 74383470; 99443289; 103771484; 124490495; 126731257; 131408692; 135263012; 135611139; 142086497; 152159611; 160967906; 162202442; 162224746; 163620896; 163686217; 164834203; 174007406; 175267969; 176484653; 178103404; 184812013; 189628693; 198992513; 210024082; 221678515; 223662379; 224518787; 226540589; 243273959; 249582877; 251916124; 251917472; 251971415; 252110248; 252215082 DR0253 DRUG__ID DR0253 DR0253 DRUGNAME Cabergoline DR0253 PUBCMCID 54746 DR0253 TTDRUGID D04EGX DR0253 DFORMULA C26H37N5O2 DR0253 INCHIKEY KORNTPPJEAJQIU-KJXAQDMKSA-N DR0253 DRUINCHI 1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1 DR0253 CASMILES CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)CC=C DR0253 CAS__NUM CAS 81409-90-7 DR0253 CHEBINUM 3286 DR0253 PUBCMSID 10387; 7848050; 7978840; 8183775; 12013713; 14759961; 14808642; 34718715; 46508571; 48415679; 49965419; 53787199; 57313654; 75968790; 85788035; 92309005; 92713133; 92740959; 93166933; 103771070; 104305757; 117539013; 118047283; 126624984; 126656189; 126684133; 134337565; 135013805; 135652674; 135989394; 137001464; 142175117; 144206142; 152101006; 160963596; 162179026; 163133315; 164155372; 164824353; 170464667; 175267048; 176484246; 179151225; 184546096; 196111573; 223682255; 223820795; 226427091; 252222293; 252391240 DR0254 DRUG__ID DR0254 DR0254 DRUGNAME Cabozantinib DR0254 PUBCMCID 25102847 DR0254 TTDRUGID D0IQ6P DR0254 DFORMULA C28H24FN3O5 DR0254 INCHIKEY ONIQOQHATWINJY-UHFFFAOYSA-N DR0254 DRUINCHI 1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34) DR0254 CASMILES COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F DR0254 CAS__NUM CAS 849217-68-1 DR0254 CHEBINUM 72317 DR0254 PUBCMSID 103932275; 117695999; 131480693; 135267839; 135626782; 135727427; 136367316; 136368016; 136920380; 137256574; 137276008; 137760418; 143499870; 144115772; 152234431; 152258418; 160647254; 160676622; 160962864; 162011361; 162037456; 162202657; 164023425; 164041945; 164837657; 172914677; 174530916; 175266754; 178102511; 185997013; 198993077; 202543085; 223387911; 224083495; 226693608; 244920971; 249737079; 249896088; 252088620; 252110119; 252158839; 252215083; 252439619; 252451817; 252543409 DR0257 DRUG__ID DR0257 DR0257 DRUGNAME Caffeine DR0257 PUBCMCID 2519 DR0257 TTDRUGID D0B3HD DR0257 DFORMULA C8H10N4O2 DR0257 INCHIKEY RYYVLZVUVIJVGH-UHFFFAOYSA-N DR0257 DRUINCHI 1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 DR0257 CASMILES CN1C=NC2=C1C(=O)N(C(=O)N2C)C DR0257 CAS__NUM CAS 58-08-2 DR0257 CHEBINUM 27732 DR0257 PUBCMSID 9684; 71207; 589166; 597401; 820671; 830649; 842006; 866261; 3132319; 5635243; 7847594; 7886558; 7978841; 8026209; 8139831; 8144467; 8149227; 8151672; 10528151; 10560612; 11110907; 11110908; 11120353; 11120841; 11121329; 11335905; 11361144; 11364195; 11366757; 11369319; 11371241; 11375461; 11377481; 11455699; 11462116; 11484958; 11489077; 11490137; 11493596; 11495115; 11528255; 11535451; 11537628; 14772978; 17389997; 17404791; 21317890; 24277682; 24856687; 24886771 DR0258 DRUG__ID DR0258 DR0258 DRUGNAME NSC-675451 DR0258 PUBCMCID 64972 DR0258 TTDRUGID D0S6KA DR0258 DFORMULA C22H26O5 DR0258 INCHIKEY NIDRYBLTWYFCFV-FMTVUPSXSA-N DR0258 DRUINCHI 1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3 DR0258 CASMILES CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2C(C(C(O4)C)C)O DR0258 CAS__NUM CAS 142632-32-4 DR0258 CHEBINUM 65552 DR0259 DRUG__ID DR0259 DR0259 DRUGNAME Calcifediol DR0259 PUBCMCID 5283731 DR0259 TTDRUGID D02VPX DR0259 DFORMULA C27H44O2 DR0259 INCHIKEY JWUBBDSIWDLEOM-DTOXIADCSA-N DR0259 DRUINCHI 1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1 DR0259 CASMILES CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C DR0259 CAS__NUM CAS 19356-17-3 DR0259 CHEBINUM 17933 DR0259 PUBCMSID 4719; 597534; 823249; 7850818; 7891050; 8143950; 11039073; 14781317; 16186004; 24850810; 24895612; 26754888; 39317110; 46505690; 47216526; 47885145; 48034830; 48415681; 50110817; 53789608; 53790654; 57358948; 57647690; 71851421; 79967565; 91690325; 92298473; 92308917; 92309827; 99300741; 99302259; 99437171; 103279820; 104046490; 113860874; 118043386; 126524866; 126653108; 134992391; 135692162; 136368014; 137003766; 141930052; 143493308; 144115774; 144205540; 152104516; 152164534; 152238014; 152258780 DR0260 DRUG__ID DR0260 DR0260 DRUGNAME Calcitriol DR0260 PUBCMCID 5280453 DR0260 TTDRUGID D0T2PL DR0260 DFORMULA C27H44O3 DR0260 INCHIKEY GMRQFYUYWCNGIN-NKMMMXOESA-N DR0260 DRUINCHI 1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 DR0260 CASMILES CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C DR0260 CAS__NUM CAS 32222-06-3 DR0260 CHEBINUM 17823 DR0260 PUBCMSID 4817; 596357; 628349; 646010; 3225659; 7847197; 7850823; 7978847; 8143990; 8616278; 11528639; 12012574; 14758022; 14855739; 24850808; 24893473; 26719902; 26754891; 26759742; 39289574; 46386784; 46391717; 46508162; 47588739; 47662005; 47959455; 48334202; 48415682; 49681438; 49681793; 50110818; 53789169; 53789350; 56311224; 56311227; 56311279; 56311508; 56311775; 56312928; 56313898; 56314589; 56365636; 57288572; 57357744; 57647688; 71824963; 80321599; 89088644; 92308336; 92308939 DR0261 DRUG__ID DR0261 DR0261 DRUGNAME Calcium carbimide DR0261 PUBCMCID 21917771 DR0261 TTDRUGID D0A9KF DR0261 DFORMULA CH2CaN2+2 DR0261 INCHIKEY STRTXDFFNXSZQB-UHFFFAOYSA-N DR0261 DRUINCHI 1S/CH2N2.Ca/c2-1-3;/h2H2;/q;+2 DR0261 CASMILES C(#N)N.[Ca+2] DR0261 CAS__NUM CAS 50-76-0 DR0261 CHEBINUM 27666 DR0261 PUBCMSID 539177; 37396711; 57385037; 126677474; 137018396; 162220673; 223660361 DR0262 DRUG__ID DR0262 DR0262 DRUGNAME Canagliflozin DR0262 PUBCMCID 24812758 DR0262 TTDRUGID D08DFX DR0262 DFORMULA C24H25FO5S DR0262 INCHIKEY XTNGUQKDFGDXSJ-ZXGKGEBGSA-N DR0262 DRUINCHI 1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1 DR0262 CASMILES CC1=C(C=C(C=C1)C2C(C(C(C(O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F DR0262 CAS__NUM CAS 842133-18-0 DR0262 CHEBINUM 73274 DR0262 PUBCMSID 49811874; 57127075; 125299338; 134358471; 135267033; 136023439; 136340353; 136367529; 136368011; 141631822; 144115779; 144224573; 152159581; 152258221; 160647057; 160695863; 160865968; 162011557; 162169318; 162205127; 164837687; 170500828; 172918748; 174530759; 175266021; 175427146; 178101303; 185964359; 196373210; 198993774; 202567714; 211535181; 223258907; 223471388; 223617458; 223705166; 224378424; 226521104; 248537044; 249737173; 250163176; 252109951; 252215091 DR0264 DRUG__ID DR0264 DR0264 DRUGNAME Candesartan cilexetil DR0264 PUBCMCID 2540 DR0264 TTDRUGID D0D5SQ DR0264 DFORMULA C33H34N6O6 DR0264 INCHIKEY GHOSNRCGJFBJIB-UHFFFAOYSA-N DR0264 DRUINCHI 1S/C33H34N6O6/c1-3-42-32-34-28-15-9-14-27(31(40)43-21(2)44-33(41)45-24-10-5-4-6-11-24)29(28)39(32)20-22-16-18-23(19-17-22)25-12-7-8-13-26(25)30-35-37-38-36-30/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,35,36,37,38) DR0264 CASMILES CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6 DR0264 CAS__NUM CAS 145040-37-5 DR0264 CHEBINUM 3348 DR0265 DRUG__ID DR0265 DR0265 DRUGNAME Cannabidiol DR0265 PUBCMCID 644019 DR0265 TTDRUGID D0O1UZ DR0265 DFORMULA C21H30O2 DR0265 INCHIKEY QHMBSVQNZZTUGM-ZWKOTPCHSA-N DR0265 DRUINCHI 1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1 DR0265 CASMILES CCCCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C)O DR0265 CAS__NUM CAS 145514-04-1 DR0265 CHEBINUM 69478; DR0265 PUBCMSID 841235; 8707245; 12012585; 14825860; 14899058; 24892861; 43765781; 57309735; 57408178; 57654032; 80649036; 103460177; 104014242; 104152845; 109827355; 113635231; 134990571; 135697550; 136213730; 142472550; 160711726; 162224688; 178100971; 198983043; 224092533; 226491388; 242059005; 250138861; 252159978; 252415453 DR0266 DRUG__ID DR0266 DR0266 DRUGNAME Capecitabine DR0266 PUBCMCID 60953 DR0266 TTDRUGID D00HCQ DR0266 DFORMULA C15H22FN3O6 DR0266 INCHIKEY GAGWJHPBXLXJQN-UORFTKCHSA-N DR0266 DRUINCHI 1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1 DR0266 CASMILES CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)O)O DR0266 CAS__NUM CAS 154361-50-9 DR0266 CHEBINUM 31348 DR0266 PUBCMSID 583040; 7848286; 7978485; 8187136; 12014895; 14828191; 14925873; 29214852; 43118267; 46508686; 49960125; 53790473; 57314195; 71821403; 74459733; 99436918; 103724218; 104322032; 117506114; 117673331; 118048469; 119526524; 124757042; 125163846; 126653765; 126671131; 127925204; 134338046; 134358377; 135017419; 135693779; 135723537; 136368008; 136375551; 136949108; 137005622; 140014282; 143493385; 144115785; 144205751; 152059549; 152235778; 152258963; 160647810; 160964435; 162011675; 163304897; 164175281; 164194987;165245546 DR0267 DRUG__ID DR0267 DR0267 DRUGNAME AG-1549 DR0267 PUBCMCID 1783 DR0267 TTDRUGID D0KR5K DR0267 DFORMULA C20H20Cl2N4O2S DR0267 INCHIKEY YQXCVAGCMNFUMQ-UHFFFAOYSA-N DR0267 DRUINCHI 1S/C20H20Cl2N4O2S/c1-12(2)18-19(29-16-8-14(21)7-15(22)9-16)26(10-13-3-5-24-6-4-13)17(25-18)11-28-20(23)27/h3-9,12H,10-11H2,1-2H3,(H2,23,27) DR0267 CASMILES CC(C)C1=C(N(C(=N1)COC(=O)N)CC2=CC=NC=C2)SC3=CC(=CC(=C3)Cl)Cl DR0267 CAS__NUM CAS 178979-85-6 DR0268 DRUG__ID DR0268 DR0268 DRUGNAME Capsaicin DR0268 PUBCMCID 1548943 DR0268 TTDRUGID D0U5CE DR0268 DFORMULA C18H27NO3 DR0268 INCHIKEY YKPUWZUDDOIDPM-SOFGYWHQSA-N DR0268 DRUINCHI 1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+ DR0268 CASMILES CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC DR0268 CAS__NUM CAS 404-86-4 DR0268 CHEBINUM 3374 DR0268 PUBCMSID 9083; 105773; 853800; 1916595; 7847316; 7978850; 8149724; 8653307; 10321304; 11537699; 12015395; 14923155; 17389996; 17486482; 22391501; 24847432; 24853014; 24853015; 24862158; 24896598; 26612181; 26680132; 26681474; 26744231; 26747263; 26747264; 26752818; 26752819; 26752820; 26758379; 29203915; 32248886; 46487934; 47216576; 47364983; 47515116; 47662075; 47662076; 47736251; 47736252; 47810544; 47885207; 48034884; 48259019; 48413373; 48423080; 48424925; 49688535; 49698675; 49747048 DR0269 DRUG__ID DR0269 DR0269 DRUGNAME Captopril DR0269 PUBCMCID 44093 DR0269 TTDRUGID D0I0EG DR0269 DFORMULA C9H15NO3S DR0269 INCHIKEY FAKRSMQSSFJEIM-RQJHMYQMSA-N DR0269 DRUINCHI 1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 DR0269 CASMILES CC(CS)C(=O)N1CCCC1C(=O)O DR0269 CAS__NUM CAS 62571-86-2 DR0269 CHEBINUM 3380 DR0269 PUBCMSID 823180; 855925; 3154070; 7847317; 7978852; 8149632; 8178487; 10321204; 11110941; 11335383; 11360622; 11363582; 11366144; 11368706; 11372295; 11374460; 11376868; 11461594; 11484758; 11489027; 11491203; 11492626; 11494502; 11533495; 12013747; 14797867; 15195876; 17404865; 22391411; 24278149; 24893111; 26612024; 26679590; 26747043; 26747044; 26751563; 26758381; 34709396; 46392259; 46487953; 46506879; 47365058; 47440133; 47515193; 47515194; 47515195; 47736347; 47736348; 47959603; 49698307 DR0270 DRUG__ID DR0270 DR0270 DRUGNAME Carbamazepine DR0270 PUBCMCID 2554 DR0270 TTDRUGID D04MSM DR0270 DFORMULA C15H12N2O DR0270 INCHIKEY FFGPTBGBLSHEPO-UHFFFAOYSA-N DR0270 DRUINCHI 1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18) DR0270 CASMILES C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N DR0270 CAS__NUM CAS 298-46-4 DR0270 CHEBINUM 3387 DR0270 PUBCMSID 9085; 442467; 621391; 855967; 866528; 3154113; 5051955; 7847318; 7978855; 8149231; 8151689; 10321205; 10517602; 11109646; 11110939; 11110940; 11207111; 11335563; 11338925; 11360802; 11362930; 11365492; 11368054; 11371249; 11373863; 11376216; 11461774; 11466080; 11467200; 11483906; 11485860; 11487941; 11490141; 11492077; 11493910; 11514284; 14847331; 17389547; 17404855; 24278084; 24893120; 26611636; 26679702; 26747063; 26747064; 26751576; 29221715; 46507583; 47216705; 47365117 DR0272 DRUG__ID DR0272 DR0272 DRUGNAME Carboplatin DR0272 PUBCMCID 10339178 DR0272 TTDRUGID D0X7HM DR0272 DFORMULA C6H12N2O4Pt DR0272 INCHIKEY OLESAACUTLOWQZ-UHFFFAOYSA-L DR0272 DRUINCHI 1S/C6H8O4.2H3N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H3;/q;;;+2/p-2 DR0272 CASMILES C1CC(C1)(C(=O)[O-])C(=O)[O-].N.N.[Pt+2] DR0272 CAS__NUM CAS 41575-94-4 DR0272 CHEBINUM 31355 DR0272 PUBCMSID 15350457; 22704376; 33972238; 75354552; 87558792; 117682520; 127293893; 127293894; 127293895; 127293896; 127293897; 127293898; 127293899; 127293900; 127293901; 127293902; 127293903; 127293904; 127293905; 127293906; 127293907; 127293908; 127293909; 127293910; 127293911; 127293912; 127293913; 127293914; 127293915; 127293916; 127293917; 127293918; 127293919; 127293920; 127293921; 127293922; 127293923; 127293924; 127293925; 127293926; 127293927; 127293928; 127293929; 127293930; 127293931; 127293932; 127293933; 127293934; 127293935; 127293936 DR0273 DRUG__ID DR0273 DR0273 DRUGNAME L-651582 DR0273 PUBCMCID 108144 DR0273 TTDRUGID D05IIP DR0273 DFORMULA C17H12Cl3N5O2 DR0273 INCHIKEY WNRZHQBJSXRYJK-UHFFFAOYSA-N DR0273 DRUINCHI 1S/C17H12Cl3N5O2/c18-10-3-1-9(2-4-10)15(26)13-11(19)5-8(6-12(13)20)7-25-16(21)14(17(22)27)23-24-25/h1-6H,7,21H2,(H2,22,27) DR0273 CASMILES C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2Cl)CN3C(=C(N=N3)C(=O)N)N)Cl)Cl DR0273 CAS__NUM CAS 99519-84-3 DR0273 PUBCMSID 485747; 639419; 4254373; 6887112; 8141938; 10234614; 10320678; 11409172; 11459118; 11461236; 12013671; 14831891; 26653376; 44437032; 50065444; 50109733; 57338464; 58108226; 80545111; 92722332; 103143867; 103310486; 104380609; 117565421; 123122707; 124635539; 124753387; 124878929; 125569773; 126627359; 126648997; 126662661; 129607850; 134224803; 135064836; 135698191; 137038061; 140115329; 143493287; 152243201; 162202203; 162220752; 162755062; 164038435; 164849207; 171578519; 174006266; 196107484; 198972622; 198991783 DR0274 DRUG__ID DR0274 DR0274 DRUGNAME BZ-55 DR0274 PUBCMCID 9564 DR0274 DFORMULA C11H17N3O3S DR0274 INCHIKEY VDTNNGKXZGSZIP-UHFFFAOYSA-N DR0274 DRUINCHI 1S/C11H17N3O3S/c1-2-3-8-13-11(15)14-18(16,17)10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3,(H2,13,14,15) DR0274 CASMILES CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)N DR0274 CAS__NUM CAS 339-43-5 DR0274 CHEBINUM 135118 DR0276 DRUG__ID DR0276 DR0276 DRUGNAME Cariprazine hydrochloride DR0276 PUBCMCID 25096873 DR0276 TTDRUGID D05XGO DR0276 DFORMULA C21H33Cl3N4O DR0276 INCHIKEY GPPJWWMREQHLQT-UHFFFAOYSA-N DR0276 DRUINCHI 1S/C21H32Cl2N4O.ClH/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23;/h3-5,16-17H,6-15H2,1-2H3,(H,24,28);1H DR0276 CASMILES CN(C)C(=O)NC1CCC(CC1)CCN2CCN(CC2)C3=C(C(=CC=C3)Cl)Cl.Cl DR0276 CAS__NUM CAS 1083076-69-0 DR0276 CHEBINUM 90932 DR0277 DRUG__ID DR0277 DR0277 DRUGNAME Carisoprodol DR0277 PUBCMCID 2576 DR0277 TTDRUGID D05PLH DR0277 DFORMULA C12H24N2O4 DR0277 INCHIKEY OFZCIYFFPZCNJE-UHFFFAOYSA-N DR0277 DRUINCHI 1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16) DR0277 CASMILES CCCC(C)(COC(=O)N)COC(=O)NC(C)C DR0277 CAS__NUM CAS 78-44-4 DR0277 CHEBINUM 3419 DR0277 PUBCMSID 10129; 443963; 855912; 7387049; 7847833; 7978862; 8149234; 8151701; 10321151; 10535973; 11335991; 11361230; 11362956; 11365518; 11368080; 11371255; 11373869; 11376242; 11462202; 11466451; 11467571; 11484841; 11486081; 11488969; 11490144; 11492080; 11493916; 15392472; 17389120; 17404882; 24278083; 26611639; 26679844; 26747205; 26747206; 26752303; 29221736; 46506377; 47216818; 47365236; 47440305; 47440306; 47885452; 47885453; 48334536; 48334537; 48423090; 48424936; 49698682; 49855864 DR0278 DRUG__ID DR0278 DR0278 DRUGNAME Carmustine DR0278 PUBCMCID 2578 DR0278 TTDRUGID D01OXI DR0278 DFORMULA C5H9Cl2N3O2 DR0278 INCHIKEY DLGOEMSEDOSKAD-UHFFFAOYSA-N DR0278 DRUINCHI 1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11) DR0278 CASMILES N(C(=O)NCCCl)(N=O)CCCl.OCC DR0278 CAS__NUM CAS 154-93-8 DR0278 CHEBINUM 3423 DR0279 DRUG__ID DR0279 DR0279 DRUGNAME CC-25430 DR0279 PUBCMCID 65709 DR0279 DFORMULA C22H27N3O2 DR0279 INCHIKEY MSPRUJDUTKRMLM-UHFFFAOYSA-N DR0279 DRUINCHI 1S/C22H27N3O2/c1-4-24(5-2)14-15-25-21-9-7-6-8-19(21)23-20(22(25)26)16-17-10-12-18(27-3)13-11-17/h6-13H,4-5,14-16H2,1-3H3 DR0279 CASMILES CCN(CC)CCN1C2=CC=CC=C2N=C(C1=O)CC3=CC=C(C=C3)OC DR0279 CAS__NUM CAS 23465-76-1 DR0279 CHEBINUM 135541 DR0281 DRUG__ID DR0281 DR0281 DRUGNAME Carteolol hydrochloride DR0281 PUBCMCID 40127 DR0281 TTDRUGID D03GCJ DR0281 DFORMULA C16H25ClN2O3 DR0281 INCHIKEY FYBXRCFPOTXTJF-UHFFFAOYSA-N DR0281 DRUINCHI 1S/C16H24N2O3.ClH/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13;/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20);1H DR0281 CASMILES CC(C)(C)NCC(COC1=CC=CC2=C1CCC(=O)N2)O.Cl DR0281 CAS__NUM CAS 51781-21-6 DR0281 CHEBINUM 3438 DR0282 DRUG__ID DR0282 DR0282 DRUGNAME Carvedilol DR0282 PUBCMCID 2585 DR0282 TTDRUGID D0W9LX DR0282 DFORMULA C24H26N2O4 DR0282 INCHIKEY OGHNVEJMJSYVRP-UHFFFAOYSA-N DR0282 DRUINCHI 1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3 DR0282 CASMILES COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O DR0282 CAS__NUM CAS 72956-09-3 DR0282 CHEBINUM 3441 DR0282 PUBCMSID 9092; 7387304; 7847321; 7978866; 8151709; 11364559; 11367121; 11369683; 11372422; 11374391; 11377845; 11485621; 11489489; 11490997; 11492451; 11495479; 11528712; 12013067; 14855122; 26719722; 26719723; 29221745; 46386749; 46386871; 46505146; 47805057; 48415707; 49681735; 49834917; 50112972; 50112973; 53789407; 56313592; 56413047; 56464135; 57321386; 76450239; 81040900; 81092790; 85209910; 85789499; 85789708; 87560280; 90341342; 92251378; 92307922; 92308493; 92308705; 92711411; 103197484 DR0284 DRUG__ID DR0284 DR0284 DRUGNAME Cefalexin DR0284 PUBCMCID 27447 DR0284 TTDRUGID D0Z5EM DR0284 DFORMULA C16H17N3O4S DR0284 INCHIKEY ZAIPMKNFIOOWCQ-UEKVPHQBSA-N DR0284 DRUINCHI 1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1 DR0284 CASMILES CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O DR0284 CAS__NUM CAS 15686-71-2 DR0284 CHEBINUM 3534 DR0284 PUBCMSID 9112; 594576; 625390; 7847329; 7978893; 8169783; 11466386; 11467506; 11486112; 14778344; 14876054; 26719711; 29215501; 34669971; 46386774; 46506749; 47291384; 47515590; 47811031; 48259499; 48415740; 48631157; 49698453; 50050891; 50064641; 50109863; 56314309; 57310443; 79988419; 85788571; 87246423; 92308234; 103682056; 104029668; 104300019; 108667050; 121277919; 124658838; 124766007; 126672951; 129874110; 134221931; 134337733; 134991978; 135692166; 136367997; 137001569; 137240151; 139157607; 144089066 DR0285 DRUG__ID DR0285 DR0285 DRUGNAME Cefaloridine DR0285 PUBCMCID 5773 DR0285 TTDRUGID D0F8IO DR0285 DFORMULA C19H17N3O4S2 DR0285 INCHIKEY CZTQZXZIADLWOZ-CRAIPNDOSA-N DR0285 DRUINCHI 1S/C19H17N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21/h1-8,15,18H,9-11H2,(H-,20,23,25,26)/t15-,18-/m1/s1 DR0285 CASMILES C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C[N+]4=CC=CC=C4 DR0285 CAS__NUM CAS 50-59-9 DR0285 CHEBINUM 3537 DR0286 DRUG__ID DR0286 DR0286 DRUGNAME Celecoxib DR0286 PUBCMCID 2662 DR0286 TTDRUGID D03RTS DR0286 DFORMULA C17H14F3N3O2S DR0286 INCHIKEY RZEKVGVHFLEQIL-UHFFFAOYSA-N DR0286 DRUINCHI 1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) DR0286 CASMILES CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F DR0286 CAS__NUM CAS 169590-42-5 DR0286 CHEBINUM 41423 DR0286 PUBCMSID 9791; 535138; 828874; 841958; 5364750; 7847633; 7886547; 7978890; 8150033; 8151729; 11336068; 11361307; 11363326; 11364763; 11365888; 11367325; 11368450; 11369887; 11372927; 11373130; 11373862; 11375487; 11376612; 11378052; 11445401; 11462279; 11485248; 11489392; 11491811; 11491997; 11494246; 11528618; 12015009; 14755918; 17389545; 26612517; 26680503; 26697316; 26747363; 26747364; 29221820; 46392808; 46505596; 46512162; 47365253; 47589055; 47959816; 48110506; 48413391; 48415737 DR0287 DRUG__ID DR0287 DR0287 DRUGNAME Celiprolol DR0287 PUBCMCID 2663 DR0287 DFORMULA C20H33N3O4 DR0287 INCHIKEY JOATXPAWOHTVSZ-UHFFFAOYSA-N DR0287 DRUINCHI 1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26) DR0287 CASMILES CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C DR0287 CAS__NUM CAS 56980-93-9 DR0287 CHEBINUM 94461 DR0288 DRUG__ID DR0288 DR0288 DRUGNAME Cenobamate DR0288 PUBCMCID 11962412 DR0288 DFORMULA C10H10ClN5O2 DR0288 INCHIKEY GFHAXPJGXSQLPT-VIFPVBQESA-N DR0288 DRUINCHI 1S/C10H10ClN5O2/c11-8-4-2-1-3-7(8)9(18-10(12)17)5-16-14-6-13-15-16/h1-4,6,9H,5H2,(H2,12,17)/t9-/m0/s1 DR0288 CASMILES C1=CC=C(C(=C1)C(CN2N=CN=N2)OC(=O)N)Cl DR0288 CAS__NUM CAS 913088-80-9 DR0290 DRUG__ID DR0290 DR0290 DRUGNAME Cerivastatin sodium DR0290 PUBCMCID 23663992 DR0290 TTDRUGID D03KIA DR0290 DFORMULA C26H33FNNaO5 DR0290 INCHIKEY GPUADMRJQVPIAS-QCVDVZFFSA-M DR0290 DRUINCHI 1S/C26H34FNO5.Na/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4;/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32);/q;+1/p-1/b11-10+;/t19-,20-;/m1./s1 DR0290 CASMILES CC(C)C1=C(C(=C(C(=N1)C(C)C)COC)C2=CC=C(C=C2)F)C=CC(CC(CC(=O)[O-])O)O.[Na+] DR0290 CAS__NUM CAS 143201-11-0 DR0290 CHEBINUM 3559 DR0291 DRUG__ID DR0291 DR0291 DRUGNAME Certolizumab pegol DR0291 PUBCMCID 17397581 DR0291 TTDRUGID D08YAY DR0291 DFORMULA C19H17N3O3S DR0291 INCHIKEY ZGVSTSLQSBCQHY-UHFFFAOYSA-N DR0291 DRUINCHI 1S/C19H17N3O3S/c23-17-12-14(13-4-1-2-5-15(13)20-17)18(24)21-7-9-22(10-8-21)19(25)16-6-3-11-26-16/h1-6,11-12H,7-10H2,(H,20,23) DR0291 CASMILES C1CN(CCN1C(=O)C2=CC=CS2)C(=O)C3=CC(=O)NC4=CC=CC=C43 DR0292 DRUG__ID DR0292 DR0292 DRUGNAME ABT-773 DR0292 PUBCMCID 447451 DR0292 TTDRUGID D0D7TD DR0292 DFORMULA C42H59N3O10 DR0292 INCHIKEY PENDGIOBPJLVBT-ONLVEXIXSA-N DR0292 DRUINCHI 1S/C42H59N3O10/c1-11-32-42(8)36(44-40(50)55-42)25(4)33(46)23(2)21-41(7,51-18-14-15-28-20-29-16-12-13-17-30(29)43-22-28)37(26(5)34(47)27(6)38(49)53-32)54-39-35(48)31(45(9)10)19-24(3)52-39/h12-17,20,22-27,31-32,35-37,39,48H,11,18-19,21H2,1-10H3,(H,44,50)/b15-14+/t23-,24-,25+,26+,27-,31+,32-,35-,36-,37-,39+,41-,42-/m1/s1 DR0292 CASMILES CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OCC=CC4=CC5=CC=CC=C5N=C4)C)C)NC(=O)O2)C DR0292 CAS__NUM CAS 205110-48-1 DR0292 CHEBINUM 29506 DR0292 PUBCMSID 828031; 7849450; 7885483; 10300061; 12015222; 14864747; 14889049; 50070547; 50071178; 57404812; 79844004;104638038; 134339239; 135111837; 140277635; 140403219; 227992104 DR0294 DRUG__ID DR0294 DR0294 DRUGNAME Cevimeline hydrochloride DR0294 PUBCMCID 123603 DR0294 TTDRUGID D0Q4CS DR0294 DFORMULA C10H18ClNOS DR0294 INCHIKEY SURWTGAXEIEOGY-GHXDPTCOSA-N DR0294 DRUINCHI 1S/C10H17NOS.ClH/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11;/h8-9H,2-7H2,1H3;1H/t8-,10-;/m1./s1 DR0294 CASMILES CC1OC2(CN3CCC2CC3)CS1.Cl DR0294 CAS__NUM CAS 124620-89-9 DR0295 DRUG__ID DR0295 DR0295 DRUGNAME Chenodeoxycholic acid DR0295 PUBCMCID 10133 DR0295 TTDRUGID D03ZTE DR0295 DFORMULA C24H40O4 DR0295 INCHIKEY RUDATBOHQWOJDD-BSWAIDMHSA-N DR0295 DRUINCHI 1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 DR0295 CASMILES CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C DR0295 CAS__NUM CAS 474-25-9 DR0295 CHEBINUM 16755 DR0297 DRUG__ID DR0297 DR0297 DRUGNAME Chlorambucil DR0297 PUBCMCID 2708 DR0297 TTDRUGID D0V8QT DR0297 DFORMULA C14H19Cl2NO2 DR0297 INCHIKEY JCKYGMPEJWAADB-UHFFFAOYSA-N DR0297 DRUINCHI 1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19) DR0297 CASMILES C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl DR0297 CAS__NUM CAS 305-03-3 DR0297 CHEBINUM 28830 DR0297 PUBCMSID 9117; 69624; 611297; 855863; 3184022; 4963890; 7847332; 7886485; 7978915; 8149242; 8151754; 10517880; 11110896; 11110897; 11335863; 11361102; 11362972; 11365534; 11368096; 11371291; 11373905; 11376258; 11407032; 11462074; 11467107; 11468227; 11483985; 11486735; 11487881; 11490152; 11492088; 11493932; 11533216; 14825408; 17389986; 17404790; 24278287; 24853850; 26611647; 26680120; 26747014; 26747015; 26747016; 26747017; 29215014; 29221865; 46506842; 47216784; 47291145; 47515327 DR0298 DRUG__ID DR0298 DR0298 DRUGNAME Chloramphenicol DR0298 PUBCMCID 5959 DR0298 TTDRUGID D0X6IU DR0298 DFORMULA C11H12Cl2N2O5 DR0298 INCHIKEY WIIZWVCIJKGZOK-RKDXNWHRSA-N DR0298 DRUINCHI 1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1 DR0298 CASMILES C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] DR0298 CAS__NUM CAS 56-75-7 DR0298 CHEBINUM 17698 DR0298 PUBCMSID 4172; 69616; 584412; 608885; 823928; 830913; 830918; 929553; 3139682; 7847172; 7886640; 7978916; 8137815; 8144048; 8149244; 8153702; 10527641; 11335719; 11360958; 11407013; 11461930; 14801512; 15000217; 17389985; 24853926; 24867881; 24892250; 24892278; 24892441; 24892448; 24892989; 26703879; 26718309; 26718473;26718874; 26752873; 26758463; 29224982; 46505318; 47193729; 47588966; 47662251; 47662252; 48035081; 48259200; 48413399; 48415752; 48424947; 48464250; 49698995 DR0299 DRUG__ID DR0299 DR0299 DRUGNAME Chlormadinone DR0299 PUBCMCID 5284533 DR0299 DFORMULA C21H27ClO3 DR0299 INCHIKEY VUHJZBBCZGVNDZ-TTYLFXKOSA-N DR0299 DRUINCHI 1S/C21H27ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,14-16,25H,4-9H2,1-3H3/t14-,15+,16+,19-,20+,21+/m1/s1 DR0299 CASMILES CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)CCC34C)Cl)C)O DR0299 CAS__NUM CAS 1961-77-9 DR0301 DRUG__ID DR0301 DR0301 DRUGNAME Chloroquine DR0301 PUBCMCID 2719 DR0301 TTDRUGID D09EGZ DR0301 DFORMULA C18H26ClN3 DR0301 INCHIKEY WHTVZRBIWZFKQO-UHFFFAOYSA-N DR0301 DRUINCHI 1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21) DR0301 CASMILES CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl DR0301 CAS__NUM CAS 54-05-7 DR0301 CHEBINUM 3638 DR0301 PUBCMSID 9827; 447935; 596572; 5050990; 7849425; 7978921; 8151759; 10526125; 11335579; 11360818; 11363006; 11365568; 11368130; 11371321; 11373917; 11376292; 11404351; 11405289; 11461790; 11466576; 11467696; 11483910; 11486252; 11487943; 11490157; 11492094; 11493946; 11528736; 14776983; 26675665; 29221876; 46506925; 47217037; 47291356; 47440521; 47440522; 47885638; 48035387; 48110720; 48185227; 48259487; 49635547; 49681217; 49698849; 49846799; 50111008; 53787949; 53788124; 56310729; 57321414 DR0302 DRUG__ID DR0302 DR0302 DRUGNAME Chloroxylenol DR0302 PUBCMCID 2723 DR0302 DFORMULA C8H9ClO DR0302 INCHIKEY OSDLLIBGSJNGJE-UHFFFAOYSA-N DR0302 DRUINCHI 1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3 DR0302 CASMILES CC1=CC(=CC(=C1Cl)C)O DR0302 CAS__NUM CAS 88-04-0 DR0302 CHEBINUM 34393 DR0303 DRUG__ID DR0303 DR0303 DRUGNAME Chlorphenamine DR0303 PUBCMCID 2725 DR0303 DFORMULA C16H19ClN2 DR0303 INCHIKEY SOYKEARSMXGVTM-UHFFFAOYSA-N DR0303 DRUINCHI 1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m1/s1 DR0303 CASMILES CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2 DR0303 CAS__NUM CAS 132-22-9 DR0303 CHEBINUM 52010 DR0304 DRUG__ID DR0304 DR0304 DRUGNAME Chlorpheniramine DR0304 PUBCMCID 716121 DR0304 TTDRUGID D0B7NG DR0304 DFORMULA C16H19ClN2 DR0304 INCHIKEY SOYKEARSMXGVTM-OAHLLOKOSA-N DR0304 DRUINCHI 1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m1/s1 DR0304 CASMILES CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2 DR0304 CAS__NUM CAS 132-22-9 DR0304 CHEBINUM 52010 DR0304 PUBCMSID 9299815; 11110931; 11110932; 11112256; 11363014; 11365576; 11368138; 11371329; 11373943; 11376300; 11484028; 11487972; 11490161; 11492097; 11493954; 15442268; 33774101; 47719847; 48018097; 50064683; 50100400; 50225325; 57304992; 85789162; 109896795; 135650086; 135774423; 137002507; 160666558; 174007153; 175269603; 179039539; 226396260 DR0308 DRUG__ID DR0308 DR0308 DRUGNAME Chlorpromazine hydrochloride DR0308 PUBCMCID 6240 DR0308 TTDRUGID D01ZII DR0308 DFORMULA C17H20Cl2N2S DR0308 INCHIKEY FBSMERQALIEGJT-UHFFFAOYSA-N DR0308 DRUINCHI 1S/C17H19ClN2S.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H DR0308 CASMILES CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl DR0308 CAS__NUM CAS 69-09-0 DR0308 CHEBINUM 3649 DR0311 DRUG__ID DR0311 DR0311 DRUGNAME Chlorpropamide DR0311 PUBCMCID 2727 DR0311 TTDRUGID D00BCP DR0311 DFORMULA C10H13ClN2O3S DR0311 INCHIKEY RKWGIWYCVPQPMF-UHFFFAOYSA-N DR0311 DRUINCHI 1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14) DR0311 CASMILES CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl DR0311 CAS__NUM CAS 94-20-2 DR0311 CHEBINUM 3650 DR0311 PUBCMSID 98709; 228495; 493093; 855559; 4332428; 7847337; 7978927; 8149254; 8151765; 10321644; 10538465; 11110918; 11110919;11335688; 11360927; 11363038; 11364687; 11365600; 11367249; 11368162; 11369811; 11371333; 11372852; 11373947; 11375411; 11376324; 11377974; 11461899; 11466351; 11467471; 11483754; 11485982; 11487905;11490163; 11492099; 11493958; 15141440; 17389965; 17404792; 24277701; 26611658; 26679951; 26746910; 26746911; 26751448; 29221883; 46506402; 47216742; 47515283; 47515284 DR0312 DRUG__ID DR0312 DR0312 DRUGNAME Chlorzoxazone DR0312 PUBCMCID 2733 DR0312 TTDRUGID D08ZEB DR0312 DFORMULA C7H4ClNO2 DR0312 INCHIKEY TZFWDZFKRBELIQ-UHFFFAOYSA-N DR0312 DRUINCHI 1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10) DR0312 CASMILES C1=CC2=C(C=C1Cl)NC(=O)O2 DR0312 CAS__NUM CAS 95-25-0 DR0312 CHEBINUM 3655 DR0312 PUBCMSID 10133; 87091; 826390; 826422; 3139748; 6867174; 7767972; 7847836; 7886649; 8139927; 8149257; 8151769; 10321163; 10538622; 11110945; 11110946; 11336070; 11361309; 11363042; 11365604; 11368166; 11371339; 11373953; 11376328; 11462281; 11466191; 11467311; 11484813; 11485682; 11488965; 11490166; 11492102; 11493962; 16935856; 17404816; 24277702; 26611661; 26679366; 26747469; 26747470; 29221889; 46507755; 47291196; 47662345; 47736550; 47810813; 47959818; 48035200; 48334567; 48334568 DR0314 DRUG__ID DR0314 DR0314 DRUGNAME Cholic acid DR0314 PUBCMCID 221493 DR0314 TTDRUGID D0OR2L DR0314 DFORMULA C24H40O5 DR0314 INCHIKEY BHQCQFFYRZLCQQ-OELDTZBJSA-N DR0314 DRUINCHI 1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1 DR0314 CASMILES CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C DR0314 CAS__NUM CAS 81-25-4 DR0314 CHEBINUM 16359 DR0314 PUBCMSID 3963; 72129; 584143; 607109; 822057; 841391; 3135999; 4266387; 7886587; 8145669; 9376190; 11110315; 14757556; 15277848; 17422064; 24423691; 24423929; 24892356; 24893153; 26717723; 26717726; 26717727; 26737120; 26737126; 26737128; 26750105; 26750407; 26750412; 26750415; 26750420; 26750424; 30424718; 46507063; 47193710; 47662491; 49700787; 50452100; 53787750; 53789207; 56313736; 56437567; 56437568; 57399957; 81067251; 81091088; 85279435; 85285851; 85285861; 85285865; 85285871 DR0315 DRUG__ID DR0315 DR0315 DRUGNAME BRN-1736748 DR0315 PUBCMCID 305 DR0315 TTDRUGID D08DAE DR0315 DFORMULA C5H14NO+ DR0315 INCHIKEY OEYIOHPDSNJKLS-UHFFFAOYSA-N DR0315 DRUINCHI 1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 DR0315 CASMILES C[N+](C)(C)CCO DR0315 CAS__NUM CAS 62-49-7 DR0315 CHEBINUM 15354 DR0315 PUBCMSID 2233; 3414; 539149; 590083; 608363; 821095; 821590; 821695; 828440; 829111; 841597; 6152900; 7767976; 7886600; 7978932;8143147; 8150565; 11110922; 11335282; 11360521; 11363152; 11365714; 11368276; 11374671; 11376438; 11461493; 11485711; 11489754; 11492682; 11494072; 12125265; 14710526; 17435852; 24438681; 24892739; 32656435; 39988658; 46392765; 46508132; 47365030; 47440099; 47736312; 48409865; 49754889; 49754890; 49903094; 50110963; 51073513; 53776826; 53788168 DR0316 DRUG__ID DR0316 DR0316 DRUGNAME Choline salicylate DR0316 PUBCMCID 54686350 DR0316 TTDRUGID D05QPW DR0316 DFORMULA C12H19NO4 DR0316 INCHIKEY UDKCHVLMFQVBAA-UHFFFAOYSA-M DR0316 DRUINCHI 1S/C7H6O3.C5H14NO/c8-6-4-2-1-3-5(6)7(9)10;1-6(2,3)4-5-7/h1-4,8H,(H,9,10);7H,4-5H2,1-3H3/q;+1/p-1 DR0316 CASMILES c1(c(cccc1)O)C(=O)[O-].C([N+](C)(C)C)CO DR0316 CAS__NUM CAS 2016-36-6 DR0316 CHEBINUM 3668 DR0317 DRUG__ID DR0317 DR0317 DRUGNAME Chondroitin sulfate DR0317 PUBCMCID 24766 DR0317 DFORMULA C13H21NO15S DR0317 INCHIKEY KXKPYJOVDUMHGS-OSRGNVMNSA-N DR0317 DRUINCHI 1S/C13H21NO15S/c1-2(15)14-3-8(7(19)13(28-11(3)22)29-30(23,24)25)26-12-6(18)4(16)5(17)9(27-12)10(20)21/h3-9,11-13,16-19,22H,1H3,(H,14,15)(H,20,21)(H,23,24,25)/t3-,4+,5+,6-,7-,8-,9+,11-,12-,13-/m1/s1 DR0317 CASMILES CC(=O)NC1C(C(C(OC1O)OS(=O)(=O)O)O)OC2C(C(C(C(O2)C(=O)O)O)O)O DR0317 CAS__NUM CAS 9007-28-7 DR0318 DRUG__ID DR0318 DR0318 DRUGNAME Cibenzoline DR0318 PUBCMCID 2747 DR0318 DFORMULA C18H18N2 DR0318 INCHIKEY IPOBOOXFSRWSHL-UHFFFAOYSA-N DR0318 DRUINCHI 1S/C18H18N2/c1-3-7-14(8-4-1)18(15-9-5-2-6-10-15)13-16(18)17-19-11-12-20-17/h1-10,16H,11-13H2,(H,19,20) DR0318 CASMILES C1CN=C(N1)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4 DR0318 CAS__NUM CAS 53267-01-9 DR0318 CHEBINUM 135083 DR0319 DRUG__ID DR0319 DR0319 DRUGNAME Ciclesonide DR0319 PUBCMCID 6918155 DR0319 TTDRUGID D0K7HU DR0319 DFORMULA C32H44O7 DR0319 INCHIKEY LUKZNWIVRBCLON-GXOBDPJESA-N DR0319 DRUINCHI 1S/C32H44O7/c1-18(2)28(36)37-17-25(35)32-26(38-29(39-32)19-8-6-5-7-9-19)15-23-22-11-10-20-14-21(33)12-13-30(20,3)27(22)24(34)16-31(23,32)4/h12-14,18-19,22-24,26-27,29,34H,5-11,15-17H2,1-4H3/t22-,23-,24-,26+,27+,29+,30-,31-,32+/m0/s1 DR0319 CASMILES CC(C)C(=O)OCC(=O)C12C(CC3C1(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)OC(O2)C6CCCCC6 DR0319 CAS__NUM CAS 141845-82-1 DR0319 CHEBINUM 31397 DR0319 PUBCMSID 7848766; 12014485; 14763472; 14910303; 17194708; 43529548; 50069804; 50113016; 53790514; 57371818; 75476862;92719025; 93307925; 93815124; 126592968; 126621149; 126652709; 135211289; 135805250; 137002365; 137619495; 144206039; 152134121; 160668474; 162183036; 162258877; 164788141; 175266964; 184545966; 187051772; 187072300; 196106072; 210279779; 210282102; 223657022; 224423934; 226395815; 251915931; 251917279; 252215142; 252347327 DR0320 DRUG__ID DR0320 DR0320 DRUGNAME BN-1270 DR0320 PUBCMCID 54910 DR0320 TTDRUGID D0K2WK DR0320 DFORMULA C14H12ClNO2 DR0320 INCHIKEY CVKNDPRBJVBDSS-UHFFFAOYSA-N DR0320 DRUINCHI 1S/C14H12ClNO2/c1-8-13(17)12-7-18-14(11(12)6-16-8)9-2-4-10(15)5-3-9/h2-6,14,17H,7H2,1H3 DR0320 CASMILES CC1=NC=C2C(OCC2=C1O)C3=CC=C(C=C3)Cl DR0320 CAS__NUM CAS 89943-82-8 DR0320 CHEBINUM 135078 DR0320 PUBCMSID 8183856; 12012936; 15095082; 17397623; 34718846; 50065342; 50716117; 57313686; 103463337; 104306156; 117463120; 127683576; 134222740; 135028796; 137115683; 140515287; 142970971; 162364168; 162364236; 179151255; 216265377; 224354655; 226433442; 249757690 DR0321 DRUG__ID DR0321 DR0321 DRUGNAME Ciclosporin DR0321 PUBCMCID 5284373 DR0321 DFORMULA C62H111N11O12 DR0321 INCHIKEY PMATZTZNYRCHOR-CGLBZJNRSA-N DR0321 DRUINCHI 1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1 DR0321 CASMILES CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C DR0321 CAS__NUM CAS 59865-13-3 DR0321 CHEBINUM 4031 DR0322 DRUG__ID DR0322 DR0322 DRUGNAME ADD-3878 DR0322 PUBCMCID 2750 DR0322 TTDRUGID D03GWY DR0322 DFORMULA C18H23NO3S DR0322 INCHIKEY YZFWTZACSRHJQD-UHFFFAOYSA-N DR0322 DRUINCHI 1S/C18H23NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,15H,2-4,9-12H2,1H3,(H,19,20,21) DR0322 CASMILES CC1(CCCCC1)COC2=CC=C(C=C2)CC3C(=O)NC(=O)S3 DR0322 CAS__NUM CAS 74772-77-3 DR0322 CHEBINUM 64227 DR0322 PUBCMSID 6897912; 7978942; 8151777; 11120025; 11120513; 11121001; 11121640; 11122120; 11147108; 11362709; 11365271; 11367833; 11370689; 11370690; 11373434; 11375995; 12012730; 14899936; 17397629; 22391558; 24892661; 26681499; 26752160; 26752161; 26752162; 26757865; 26758470; 29221905; 46488049; 47216537; 47810501; 48110200; 48334208; 50052262; 50104808; 50620095; 53788148; 56312056; 56314037; 57321433; 85788733; 91611856; 92309991; 95612759; 99300903; 99302423; 103165086; 103853966; 104046501; 104301499 DR0323 DRUG__ID DR0323 DR0323 DRUGNAME FRC-8653 DR0323 PUBCMCID 5282138 DR0323 TTDRUGID D0N3SR DR0323 DFORMULA C27H28N2O7 DR0323 INCHIKEY KJEBULYHNRNJTE-DHZHZOJOSA-N DR0323 DRUINCHI 1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3/b11-8+ DR0323 CASMILES CC1=C(C(C(=C(N1)C)C(=O)OCC=CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCOC DR0323 CAS__NUM CAS 132203-70-4 DR0323 CHEBINUM 31399 DR0323 PUBCMSID 7848236; 8616904; 12014042; 14786166; 24892414; 26755677; 39315632; 50032253; 50111041; 53790108; 57358530; 75371776;81092904; 85174238; 85789106; 90341030; 91611858; 92308863; 92712170; 93165423; 99437240; 103587541; 104063686; 113856514; 117867117; 121361210; 124757149; 125163953; 126625786; 126655763; 126656883;126665639; 131480839; 131840712; 134338944; 135025896; 135692096; 135698202; 135727151; 136367386; 137231387; 137349403; 144205554; 160849806; 162037539; 162177503; 163388008; 163564376; 163621080; 163686403 DR0324 DRUG__ID DR0324 DR0324 DRUGNAME Cilostazol DR0324 PUBCMCID 2754 DR0324 TTDRUGID D03VPC DR0324 DFORMULA C20H27N5O2 DR0324 INCHIKEY RRGUKTPIGVIEKM-UHFFFAOYSA-N DR0324 DRUINCHI 1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26) DR0324 CASMILES C1CCC(CC1)N2C(=NN=N2)CCCCOC3=CC4=C(C=C3)NC(=O)CC4 DR0324 CAS__NUM CAS 73963-72-1 DR0324 CHEBINUM 31401 DR0324 PUBCMSID 855683; 6897916; 7848958; 7978527; 8151779; 11110906; 11113335; 11372358; 11374323; 11484992; 11488934; 11490985; 11492587; 11528739; 12012700; 14755273; 14828756; 17404781; 24278291; 26612838; 26680450; 26719653; 26719654; 26746958; 26746959; 29221909; 46386747; 46386994; 46506317; 47365365; 48259412; 48259413; 49834949; 50100194; 50103999; 50104000; 50409718; 53777324; 53787948; 56422089; 56463107; 57321435; 68530811; 85230957; 85787626; 87218800; 87218801; 87219014; 90341176; 92124839 DR0326 DRUG__ID DR0326 DR0326 DRUGNAME Cinacalcet hydrochloride DR0326 PUBCMCID 156418 DR0326 TTDRUGID D03YGR DR0326 DFORMULA C22H23ClF3N DR0326 INCHIKEY QANQWUQOEJZMLL-PKLMIRHRSA-N DR0326 DRUINCHI 1S/C22H22F3N.ClH/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25;/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3;1H/t16-;/m1./s1 DR0326 CASMILES CC(C1=CC=CC2=CC=CC=C21)NCCCC3=CC(=CC=C3)C(F)(F)F.Cl DR0326 CAS__NUM CAS 364782-34-3 DR0326 CHEBINUM 48391 DR0329 DRUG__ID DR0329 DR0329 DRUGNAME Cinnarizine DR0329 PUBCMCID 1547484 DR0329 TTDRUGID D0Q3YO DR0329 DFORMULA C26H28N2 DR0329 INCHIKEY DERZBLKQOCDDDZ-JLHYYAGUSA-N DR0329 DRUINCHI 1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+ DR0329 CASMILES C1CN(CCN1CC=CC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4 DR0329 CAS__NUM CAS 298-57-7 DR0329 CHEBINUM 31403 DR0329 PUBCMSID 145189; 597357; 855570; 7848358; 7978948; 8652487; 10321216; 10517604; 10852043; 14803894; 17404877; 24278320;32247729; 47216936; 47440424; 47515486; 47810927; 47810928; 48110619; 48415781; 49698416; 50012381; 50103929; 50103930; 50103931; 50140413; 53777420; 56422441; 56464175; 57288760; 57409047; 81093277;85148348; 85173395; 85209898; 85231348; 85788038; 89099692; 89850280; 90340734; 92125122; 92303637; 103224720; 103913696; 103928925; 106681504; 110522301; 117706973; 121361114; 121362793 DR0330 DRUG__ID DR0330 DR0330 DRUGNAME Ciprofibrate DR0330 PUBCMCID 2763 DR0330 TTDRUGID D0EJ6O DR0330 DFORMULA C13H14Cl2O3 DR0330 INCHIKEY KPSRODZRAIWAKH-UHFFFAOYSA-N DR0330 DRUINCHI 1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17) DR0330 CASMILES CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CC2(Cl)Cl DR0330 CAS__NUM CAS 52214-84-3 DR0330 CHEBINUM 50867 DR0330 PUBCMSID 4816527; 7978950; 8151784; 10852034; 11467104; 11468224; 11486732; 12013723; 14775650; 17397655; 17404731; 24278288; 26757866; 28325632; 29221918; 47291293; 47291294; 47365389; 47736670; 47959950; 48413469; 48415783; 49699279; 49857263; 50105908; 50105909; 50889815; 53777274; 53789241; 56311292; 56312796; 56312797; 56352999; 56463556; 57321443; 85175392; 85230953; 85788082; 90340632; 91011906; 92125998; 92303711; 92713293; 103689672; 103914561; 104301538; 117868533; 121360841; 121363669; 124749506 DR0331 DRUG__ID DR0331 DR0331 DRUGNAME Cisapride DR0331 PUBCMCID 2769 DR0331 TTDRUGID D0BD8D DR0331 DFORMULA C23H29ClFN3O4 DR0331 INCHIKEY DCSUBABJRXZOMT-UHFFFAOYSA-N DR0331 DRUINCHI 1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29) DR0331 CASMILES COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCOC3=CC=C(C=C3)F DR0331 CAS__NUM CAS 81098-60-4 DR0331 CHEBINUM 95129 DR0331 PUBCMSID 9127; 4816531; 7847340; 8151787; 10321734; 11466458; 11467578; 11486095; 14882747; 29221924; 48403970; 48415785; 49875392; 50113158; 51031281; 53786866; 57321449; 80953524; 85209640; 92125386; 92711730; 99418016; 103914221; 103919261; 104301556; 123090165; 125358025; 125663585; 126630574;126657130; 126669689; 127715812; 131993450; 134337537; 135014802; 135650104; 137101280; 142378524; 144204250; 160963949; 162357904; 162771742; 164807926; 165700416; 170465200; 175611161; 178125987; 179148462; 184551724; 196112081 DR0332 DRUG__ID DR0332 DR0332 DRUGNAME Cisplatin DR0332 PUBCMCID 441203 DR0332 TTDRUGID D0U5HU DR0332 DFORMULA Cl2H6N2Pt+2 DR0332 INCHIKEY BSJGASKRWFKGMV-UHFFFAOYSA-L DR0332 DRUINCHI 1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+4/p-2 DR0332 CASMILES N.N.Cl[Pt+2]Cl DR0332 CAS__NUM CAS 15663-27-1 DR0332 CHEBINUM 27899 DR0332 PUBCMSID 7783791; 8139843; 8144441; 14718343; 17405476; 36885096; 57393766; 74440810; 134337530; 137007875; 137521154; 139486572; 160844883; 160844890; 175444044; 175444045; 249871544; 252401149 DR0334 DRUG__ID DR0334 DR0334 DRUGNAME Citalopram hydrobromide DR0334 PUBCMCID 77995 DR0334 TTDRUGID D0Y5DO DR0334 DFORMULA C20H22BrFN2O DR0334 INCHIKEY WIHMBLDNRMIGDW-UHFFFAOYSA-N DR0334 DRUINCHI 1S/C20H21FN2O.BrH/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;/h4-9,12H,3,10-11,14H2,1-2H3;1H DR0334 CASMILES CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br DR0334 CAS__NUM CAS 59729-32-7 DR0336 DRUG__ID DR0336 DR0336 DRUGNAME Clarithromycin DR0336 PUBCMCID 84029 DR0336 TTDRUGID D0Z1ZM DR0336 DFORMULA C38H69NO13 DR0336 INCHIKEY AGOYDEPGAOXOCK-KCBOHYOISA-N DR0336 DRUINCHI 1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 DR0336 CASMILES CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)O)(C)O DR0336 CAS__NUM CAS 81103-11-9 DR0336 CHEBINUM 3732 DR0338 DRUG__ID DR0338 DR0338 DRUGNAME NAB-365 DR0338 PUBCMCID 2783 DR0338 TTDRUGID D0X5NX DR0338 DFORMULA C12H18Cl2N2O DR0338 INCHIKEY STJMRWALKKWQGH-UHFFFAOYSA-N DR0338 DRUINCHI 1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3 DR0338 CASMILES CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O DR0338 CAS__NUM CAS 37148-27-9 DR0338 CHEBINUM 174690 DR0338 PUBCMSID 4445365; 7980738; 8151795; 11335969; 11361208; 11364458; 11367020; 11369582; 11371928; 11374205; 11374656; 11377744; 11462180; 11466373; 11467493; 11486066; 11490790; 11492558; 11492913; 11495378; 15222099; 26756514; 29216418; 29221938; 46508373; 47216807; 47589036; 47885449; 47959784; 48035160; 48110483; 48334530; 48415793; 49698946; 49880554; 50111385; 50111386; 50294329; 51092009; 53789319; 56312093; 56312823; 56312919; 57321457; 57560470; 85084908; 85373776; 85788859; 85856301; 92308851 DR0339 DRUG__ID DR0339 DR0339 DRUGNAME Clevidipine DR0339 PUBCMCID 153994 DR0339 TTDRUGID D09ELP DR0339 DFORMULA C21H23Cl2NO6 DR0339 INCHIKEY KPBZROQVTHLCDU-UHFFFAOYSA-N DR0339 DRUINCHI 1S/C21H23Cl2NO6/c1-5-7-15(25)29-10-30-21(27)17-12(3)24-11(2)16(20(26)28-4)18(17)13-8-6-9-14(22)19(13)23/h6,8-9,18,24H,5,7,10H2,1-4H3 DR0339 CASMILES CCCC(=O)OCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C DR0339 CAS__NUM CAS 167221-71-8 DR0339 CHEBINUM 135738 DR0339 PUBCMSID 10261840; 33514704; 50580186; 103066579; 103084376; 113457368; 117583516; 121632362; 137185876; 138382287; 175271058; 184547275; 226487864 DR0340 DRUG__ID DR0340 DR0340 DRUGNAME Clindamycin DR0340 PUBCMCID 446598 DR0340 TTDRUGID D0R0ZL DR0340 DFORMULA C18H33ClN2O5S DR0340 INCHIKEY KDLRVYVGXIQJDK-AWPVFWJPSA-N DR0340 DRUINCHI 1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9-,10+,11-,12+,13-,14+,15+,16+,18+/m0/s1 DR0340 CASMILES CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl DR0340 CAS__NUM CAS 18323-44-9 DR0341 DRUG__ID DR0341 DR0341 DRUGNAME Clioquinol DR0341 PUBCMCID 2788 DR0341 TTDRUGID D06ABW DR0341 DFORMULA C9H5ClINO DR0341 INCHIKEY QCDFBFJGMNKBDO-UHFFFAOYSA-N DR0341 DRUINCHI 1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H DR0341 CASMILES C1=CC2=C(C(=C(C=C2Cl)I)O)N=C1 DR0341 CAS__NUM CAS 130-26-7 DR0341 CHEBINUM 74460 DR0342 DRUG__ID DR0342 DR0342 DRUGNAME Clobazam DR0342 PUBCMCID 2789 DR0342 TTDRUGID D0S9MC DR0342 DFORMULA C16H13ClN2O2 DR0342 INCHIKEY CXOXHMZGEKVPMT-UHFFFAOYSA-N DR0342 DRUINCHI 1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3 DR0342 CASMILES CN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3 DR0342 CAS__NUM CAS 22316-47-8 DR0342 CHEBINUM 31413 DR0344 DRUG__ID DR0344 DR0344 DRUGNAME Clobetasol propionate DR0344 PUBCMCID 32798 DR0344 TTDRUGID D0H0YD DR0344 DFORMULA C25H32ClFO5 DR0344 INCHIKEY CBGUOGMQLZIXBE-XGQKBEPLSA-N DR0344 DRUINCHI 1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1 DR0344 CASMILES CCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)CCl DR0344 CAS__NUM CAS 25122-46-7 DR0344 CHEBINUM 31414 DR0345 DRUG__ID DR0345 DR0345 DRUGNAME GTPL-9088 DR0345 PUBCMCID 71387 DR0345 DFORMULA C22H26ClFO4 DR0345 INCHIKEY XXIFVOHLGBURIG-OZCCCYNHSA-N DR0345 DRUINCHI 1S/C22H26ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-16,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,19-,20-,21-,22-/m0/s1 DR0345 CASMILES CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(=O)CC2(C1(C(=O)CCl)O)C)F)C DR0345 CAS__NUM CAS 54063-32-0 DR0346 DRUG__ID DR0346 DR0346 DRUGNAME Clofazimine DR0346 PUBCMCID 2794 DR0346 TTDRUGID D0S5UH DR0346 DFORMULA C27H22Cl2N4 DR0346 INCHIKEY WDQPAMHFFCXSNU-UHFFFAOYSA-N DR0346 DRUINCHI 1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3 DR0346 CASMILES CC(C)N=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl DR0346 CAS__NUM CAS 2030-63-9 DR0346 CHEBINUM 3749 DR0346 PUBCMSID 9132; 426821; 602744; 627688; 855829; 4302579; 7847344; 7978968; 8151803; 10321645; 11112506; 11466404; 11467524; 11486188; 14761008; 15356285; 24714740; 24893114; 29221949; 32963436; 46386952; 46508174; 47275676; 47349472; 47499671; 47795160; 48243512; 48415799; 49681815; 49698463; 50004010; 50100467; 50124245; 50376246; 56314325; 57321463; 92125497; 92308020; 92308564; 93167165; 93619701; 96079551; 103400985; 103755939; 103914133; 104153270; 104301631; 118816613; 121269827; 121363168 DR0347 DRUG__ID DR0347 DR0347 DRUGNAME Clofibrate DR0347 PUBCMCID 2796 DR0347 TTDRUGID D0J5DC DR0347 DFORMULA C12H15ClO3 DR0347 INCHIKEY KNHUKKLJHYUCFP-UHFFFAOYSA-N DR0347 DRUINCHI 1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3 DR0347 CASMILES CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl DR0347 CAS__NUM CAS 637-07-0 DR0347 CHEBINUM 3750 DR0347 PUBCMSID 9133; 119396; 221613; 893268; 3218686; 4302581; 7847345; 7978969; 8147031; 8149997; 8150180; 8151805; 10531332; 10852042; 11110971; 11120027; 11120515; 11121003; 11121642; 11122122; 11147110; 11335997; 11336101; 11361236; 11361340; 11362711; 11364629; 11365273; 11367191; 11367835; 11369753; 11370693; 11370694; 11373436; 11374024; 11375997; 11377915; 11446100; 11452212; 11462208; 11462312; 11484734; 11489025; 11492038; 11495549; 14798427; 17404869; 22391427; 22395216; 24278085 DR0348 DRUG__ID DR0348 DR0348 DRUGNAME WY-1485 DR0348 PUBCMCID 10783 DR0348 TTDRUGID D0G3LM DR0348 DFORMULA C6H8ClNS DR0348 INCHIKEY PCLITLDOTJTVDJ-UHFFFAOYSA-N DR0348 DRUINCHI 1S/C6H8ClNS/c1-5-6(2-3-7)9-4-8-5/h4H,2-3H2,1H3 DR0348 CASMILES CC1=C(SC=N1)CCCl DR0348 CAS__NUM CAS 533-45-9 DR0348 CHEBINUM 92875 DR0348 PUBCMSID 4619295; 7978970; 8157813; 10525682; 11113756; 15147015; 26751938; 29229242; 47362786; 47513076; 48415802; 50051831; 50612685; 51091667; 53788240; 57326461; 57393846; 58106916; 85788326; 90341262; 92717222; 93305289; 99233257; 99246227; 99437078; 103293356; 104324248; 117472036; 117673459; 118317990; 124757151; 124886951; 125163955; 125352389; 126654022; 126689028; 127339752; 127339753; 127339754; 127339755; 128896018; 131383406; 134339873; 134977038; 135692098; 136974770; 137005027; 142483186; 144204482; 147484835 DR0350 DRUG__ID DR0350 DR0350 DRUGNAME Clomipramine hydrochloride DR0350 PUBCMCID 68539 DR0350 TTDRUGID D05AAW DR0350 DFORMULA C19H24Cl2N2 DR0350 INCHIKEY WIMWMKZEIBHDTH-UHFFFAOYSA-N DR0350 DRUINCHI 1S/C19H23ClN2.ClH/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22;/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3;1H DR0350 CASMILES CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl.Cl DR0350 CAS__NUM CAS 17321-77-6 DR0350 CHEBINUM 3755 DR0350 PUBCMSID 855785; 3146444; 7847876; 8150146; 8192195; 10321173; 11528647; 14925416; 17404870; 24278087; 24714730; 25624751; 26514064; 26543492; 26613159; 26680358; 26747483; 43125096; 50064402; 50106071; 50122894; 50122895; 53777413; 56311677; 56422907; 57316916; 79827483; 85084917; 85149187; 85174244; 88565714; 92125084; 92303620; 103770693; 103819575; 103913653; 104170176; 104342415; 117447143; 124637328; 124891638; 124891639; 125312387; 125342946; 126617326; 126645822; 126664318; 135027196; 135610155; 135697887 DR0351 DRUG__ID DR0351 DR0351 DRUGNAME Clonazepam DR0351 PUBCMCID 2802 DR0351 TTDRUGID D0CP4E DR0351 DFORMULA C15H10ClN3O3 DR0351 INCHIKEY DGBIGWXXNGSACT-UHFFFAOYSA-N DR0351 DRUINCHI 1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20) DR0351 CASMILES C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl DR0351 CAS__NUM CAS 1622-61-3 DR0351 CHEBINUM 3756 DR0351 PUBCMSID 447045; 629452; 4807399; 6242864; 7847346; 7978973; 8150128; 8151811; 10503355; 10509779; 10589180; 11109648; 11336148; 11361387; 11462359; 12146087; 14874486; 24892396; 29221957; 46507677; 47702094; 47736576; 48415805; 49884102; 49884205; 50876639; 56313737; 57321471; 85176029; 92307992; 92714482; 92729733; 93167162; 96026525; 96079552; 99302061; 103165964; 103930203; 104301655; 125536639; 126624103; 126655374; 126691438; 127729747; 131300953; 134337573; 134979678; 135315111; 136949632; 137002943 DR0352 DRUG__ID DR0352 DR0352 DRUGNAME Clonidine DR0352 PUBCMCID 2803 DR0352 TTDRUGID D03SKR DR0352 DFORMULA C9H9Cl2N3 DR0352 INCHIKEY GJSURZIOUXUGAL-UHFFFAOYSA-N DR0352 DRUINCHI 1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14) DR0352 CASMILES C1CN=C(N1)NC2=C(C=CC=C2Cl)Cl DR0352 CAS__NUM CAS 4205-90-7 DR0352 CHEBINUM 46632 DR0352 PUBCMSID 840960; 841959; 4807400; 5991864; 7847347; 7978974; 8151812; 10522369; 10527768; 11110984; 11110985; 11113648; 11120350; 11120838; 11121326; 11121653; 11122133; 11335949; 11361188; 11362722; 11364235; 11365284; 11366797; 11367846; 11369359; 11370715; 11370716; 11371375; 11373447; 11374710; 11376008; 11377521; 11462160; 11466276; 11467396; 11484969; 11485991; 11489003; 11490174; 11492771; 11495155; 14822899; 15172366; 26697416; 26697467; 26751841; 26751842; 29221958; 46508119; 47216577 DR0355 DRUG__ID DR0355 DR0355 DRUGNAME Clopidogrel bisulfate DR0355 PUBCMCID 115366 DR0355 TTDRUGID D0N0TZ DR0355 DFORMULA C16H18ClNO6S2 DR0355 INCHIKEY FDEODCTUSIWGLK-RSAXXLAASA-N DR0355 DRUINCHI 1S/C16H16ClNO2S.H2O4S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;1-5(2,3)4/h2-5,7,9,15H,6,8,10H2,1H3;(H2,1,2,3,4)/t15-;/m0./s1 DR0355 CASMILES COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3.OS(=O)(=O)O DR0355 CAS__NUM CAS 120202-66-6 DR0355 CHEBINUM 3759 DR0357 DRUG__ID DR0357 DR0357 DRUGNAME Cloranolol DR0357 PUBCMCID 65814 DR0357 DFORMULA C13H19Cl2NO2 DR0357 INCHIKEY XYCMOTOFHFTUIU-UHFFFAOYSA-N DR0357 DRUINCHI 1S/C13H19Cl2NO2/c1-13(2,3)16-7-10(17)8-18-12-6-9(14)4-5-11(12)15/h4-6,10,16-17H,7-8H2,1-3H3 DR0357 CASMILES CC(C)(C)NCC(COC1=C(C=CC(=C1)Cl)Cl)O DR0357 CAS__NUM CAS 39563-28-5 DR0357 CHEBINUM 135217 DR0358 DRUG__ID DR0358 DR0358 DRUGNAME Clorazepic acid DR0358 PUBCMCID 2809 DR0358 TTDRUGID D0P3JU DR0358 DFORMULA C16H11ClN2O3 DR0358 INCHIKEY XDDJGVMJFWAHJX-UHFFFAOYSA-N DR0358 DRUINCHI 1S/C16H11ClN2O3/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12/h1-8,14H,(H,18,20)(H,21,22) DR0358 CASMILES C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)O DR0358 CAS__NUM CAS 23887-31-2 DR0358 CHEBINUM 3761 DR0358 PUBCMSID 9138; 4821016; 7849641; 7978977; 8151816; 10542638; 14950450; 29221964; 46506595; 50066179; 50071296; 74906350; 96079582; 103807498; 104239421; 104301676; 117469038; 129671809; 134337554; 134994500; 137089233; 137240524; 160963973; 162311076; 163299016; 179225622; 198993218; 223365884; 224779999; 227838419; 241037568; 250143278 DR0359 DRUG__ID DR0359 DR0359 DRUGNAME Clorindione DR0359 PUBCMCID 70846 DR0359 DFORMULA C15H9ClO2 DR0359 INCHIKEY NJDUWAXIURWWLN-UHFFFAOYSA-N DR0359 DRUINCHI 1S/C15H9ClO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H DR0359 CASMILES C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CC=C(C=C3)Cl DR0359 CAS__NUM CAS 1146-99-2 DR0359 CHEBINUM 135057 DR0360 DRUG__ID DR0360 DR0360 DRUGNAME Clotiapine DR0360 PUBCMCID 16351 DR0360 TTDRUGID D0PX8L DR0360 DFORMULA C18H18ClN3S DR0360 INCHIKEY KAAZGXDPUNNEFN-UHFFFAOYSA-N DR0360 DRUINCHI 1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3 DR0360 CASMILES CN1CCN(CC1)C2=NC3=CC=CC=C3SC4=C2C=C(C=C4)Cl DR0360 CAS__NUM CAS 2058-52-8 DR0360 CHEBINUM 31424 DR0361 DRUG__ID DR0361 DR0361 DRUGNAME Clotiazepam DR0361 PUBCMCID 2811 DR0361 TTDRUGID D0R4DP DR0361 DFORMULA C16H15ClN2OS DR0361 INCHIKEY CHBRHODLKOZEPZ-UHFFFAOYSA-N DR0361 DRUINCHI 1S/C16H15ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-9-14(20)19(2)16(12)21-10/h4-8H,3,9H2,1-2H3 DR0361 CASMILES CCC1=CC2=C(S1)N(C(=O)CN=C2C3=CC=CC=C3Cl)C DR0361 CAS__NUM CAS 33671-46-4 DR0361 CHEBINUM 31425 DR0361 PUBCMSID 4821018; 7848391; 8151818; 10519139; 12015458; 15445216; 29221966; 46508776; 48415812; 50053288; 50458572; 57321476; 58106918; 104301682; 109612938; 124973749; 125823447; 126666095; 127624260; 134221992; 134338208; 135000200; 137005586; 160964803; 164838520; 179150338; 198987699; 198993221; 223668114; 224743438; 226428801; 241062689; 250113220; 252399059 DR0362 DRUG__ID DR0362 DR0362 DRUGNAME Clotrimazole DR0362 PUBCMCID 2812 DR0362 TTDRUGID D09GOS DR0362 DFORMULA C22H17ClN2 DR0362 INCHIKEY VNFPBHJOKIVQEB-UHFFFAOYSA-N DR0362 DRUINCHI 1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H DR0362 CASMILES C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4 DR0362 CAS__NUM CAS 23593-75-1 DR0362 CHEBINUM 3764 DR0362 PUBCMSID 9139; 569393; 602764; 3288050; 4821019; 7847348; 7978978; 8137259; 8149266; 8151819; 10321221; 10514771; 10852037; 11110962; 11110963; 11335840; 11361079; 11364237; 11366799; 11369361; 11371377; 11373989; 11377523; 11447256; 11462051; 11466295; 11467415; 11483912; 11486069; 11487944; 11490175; 11492110; 11495157; 11532882; 11533491; 12146064; 14802606; 17404878; 24278327; 24860592; 26611668; 26680328; 26719636; 26747486; 26747487; 26758479; 29221967; 46386926; 46499864; 46507927 DR0363 DRUG__ID DR0363 DR0363 DRUGNAME Clozapine DR0363 PUBCMCID 135398737 DR0363 TTDRUGID D0Z1RV DR0363 DFORMULA C18H19ClN4 DR0363 INCHIKEY QZUDBNBUXVUHMW-UHFFFAOYSA-N DR0363 DRUINCHI 1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 DR0363 CASMILES CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42 DR0363 CAS__NUM CAS 5786-21-0 DR0363 CHEBINUM 3766 DR0364 DRUG__ID DR0364 DR0364 DRUGNAME Cobicistat DR0364 PUBCMCID 25151504 DR0364 TTDRUGID D02VJP DR0364 DFORMULA C40H53N7O5S2 DR0364 INCHIKEY ZCIGNRJZKPOIKD-CQXVEOKZSA-N DR0364 DRUINCHI 1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36+/m1/s1 DR0364 CASMILES CC(C)C1=NC(=CS1)CN(C)C(=O)NC(CCN2CCOCC2)C(=O)NC(CCC(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5 DR0364 CAS__NUM CAS 1004316-88-4 DR0364 CHEBINUM 72291 DR0364 PUBCMSID 57245301; 81022985; 135021019; 135626633; 137255615; 141580642; 152258234; 160647070; 160697744; 160962910; 161005264; 164045125; 164194074; 175265978; 187051836; 194945367; 223381921; 223722822; 226087995; 228820860; 249282831; 249814477; 252215178; 252451833 DR0365 DRUG__ID DR0365 DR0365 DRUGNAME Cocaine DR0365 PUBCMCID 446220 DR0365 TTDRUGID D04XPW DR0365 DFORMULA C17H21NO4 DR0365 INCHIKEY ZPUCINDJVBIVPJ-LJISPDSOSA-N DR0365 DRUINCHI 1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1 DR0365 CASMILES CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC DR0365 CAS__NUM CAS 50-36-2 DR0365 CHEBINUM 27958 DR0365 PUBCMSID 4603; 822487; 830115; 841206; 7886706; 7978982; 10299853; 10317514; 14717642; 14849677; 16061210; 23856122; 24875114; 24882022; 24893116; 36511843; 46392192; 46392962; 46506326; 49846233; 53786861; 57404730; 57651790; 78299047; 85756453; 92718042; 104636021; 123092435; 126621786; 129937523; 134971337; 135652677; 137001236; 152104973; 162220988; 175266196; 175443665; 179252632; 226411107; 241088610; 250229865; 250231451 DR0366 DRUG__ID DR0366 DR0366 DRUGNAME Codeine DR0366 PUBCMCID 5284371 DR0366 TTDRUGID D03DIG DR0366 DFORMULA C18H21NO3 DR0366 INCHIKEY OROGSEYTTFOCAN-DNJOTXNNSA-N DR0366 DRUINCHI 1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1 DR0366 CASMILES CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O DR0366 CAS__NUM CAS 76-57-3 DR0366 CHEBINUM 16714 DR0366 PUBCMSID 8425; 841961; 7978983; 8144934; 11039235; 14825207; 15419416; 24892429; 24892819; 28325869; 39317728; 46507764; 48413480; 48415816; 48423163; 49855816; 50881119; 53788605; 57653987; 57654027; 87544102; 92710514; 103169342; 103930322; 104000895; 117497011; 124954734; 126631803; 126678046; 128851630; 134337528; 134971680; 135650117; 137001257; 137175320; 142842434; 144207280; 152094958; 160963666; 164838528; 175268396; 175442317; 179151116; 223554832; 223680835; 223739746; 226395484; 241129665 DR0372 DRUG__ID DR0372 DR0372 DRUGNAME Colchicine DR0372 PUBCMCID 23890 DR0372 TTDRUGID D09DHY DR0372 DFORMULA C21H23NO6 DR0372 INCHIKEY HDSXDWASQCHADG-HNNXBMFYSA-N DR0372 DRUINCHI 1S/C21H23NO6/c1-25-17-8-6-13-14(10-16(17)24)15(22-11-23)7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13/h6,8-11,15H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1 DR0372 CASMILES COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC=O DR0372 CAS__NUM CAS 64-86-8 DR0372 CHEBINUM 27882 DR0372 PUBCMSID 473586; 8141688; 8167432; 26756917; 29291001; 49955736; 57331490; 77548941; 84981402; 103291345; 104359407; 124892459; 134987857; 135626447; 162259585; 175607868; 187051827; 212342872; 230031014; 241144181; 243170643; 252370558 DR0376 DRUG__ID DR0376 DR0376 DRUGNAME Conivaptan hydrochloride DR0376 PUBCMCID 216322 DR0376 TTDRUGID D0VU2X DR0376 DFORMULA C32H27ClN4O2 DR0376 INCHIKEY BTYHAFSDANBVMJ-UHFFFAOYSA-N DR0376 DRUINCHI 1S/C32H26N4O2.ClH/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22;/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37);1H DR0376 CASMILES CC1=NC2=C(N1)CCN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6.Cl DR0376 CAS__NUM CAS 168626-94-6 DR0376 CHEBINUM 31430 DR0377 DRUG__ID DR0377 DR0377 DRUGNAME Conjugated estrogens DR0377 PUBCMCID 71306403 DR0377 TTDRUGID D0T0LU DR0377 DFORMULA C63H78N2O19S3 DR0377 INCHIKEY NMOBGFHEUQQCPQ-PCLQRYFVSA-N DR0377 DRUINCHI 1S/C18H22O5S.C18H20O5S.C18H18O5S.C9H18N2O4/c3*1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22);2-5,10,16H,6-9H2,1H3,(H,20,21,22);3-6H2,1-2H3,(H2,10,12)(H2,11,13)/t14-,15-,16+,18+;14-,16+,18+;16-,18-;/m110./s1 DR0377 CASMILES CCCC(C)(COC(=O)N)COC(=O)N.CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O.CC12CCC3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)O)C1CCC2=O.CC12CCC3=C(C1CCC2=O)C=CC4=C3C=CC(=C4)OS(=O)(=O)O DR0377 CAS__NUM CAS 956596-16-0 DR0378 DRUG__ID DR0378 DR0378 DRUGNAME Copanlisib DR0378 PUBCMCID 135565596 DR0378 TTDRUGID D0S5LD DR0378 DFORMULA C23H28N8O4 DR0378 INCHIKEY MWYDSXOGIBMAET-UHFFFAOYSA-N DR0378 DRUINCHI 1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32) DR0378 CASMILES COC1=C(C=CC2=C3NCCN3C(=NC(=O)C4=CN=C(N=C4)N)N=C21)OCCCN5CCOCC5 DR0378 CAS__NUM CAS 1032568-63-0 DR0382 DRUG__ID DR0382 DR0382 DRUGNAME NSC-9705 DR0382 PUBCMCID 5753 DR0382 TTDRUGID D03TNT DR0382 DFORMULA C21H30O4 DR0382 INCHIKEY OMFXVFTZEKFJBZ-HJTSIMOOSA-N DR0382 DRUINCHI 1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1 DR0382 CASMILES CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O DR0382 CAS__NUM CAS 50-22-6 DR0382 CHEBINUM 16827 DR0382 PUBCMSID 5219; 75084; 804393; 841767; 855741; 6435953; 7886418; 7978988; 8143631; 8153530; 10321632; 11466460; 11467580; 11486119; 17389502; 17404783; 24278302; 24856812; 24869860; 25630774; 26751495; 26758495; 29224789; 46386953; 46504547; 47275526; 47646532; 48018879; 48243330; 48318377; 48393901; 48393902; 48421980; 48424986; 49698488; 49956045; 50104040; 53777326; 53788667; 53834312; 56311825; 56312404; 56312772; 56313244; 56423132; 57322931; 57390013; 57648276; 57650717; 58685480 DR0383 DRUG__ID DR0383 DR0383 DRUGNAME Corticotropin DR0383 PUBCMCID 16132265 DR0383 TTDRUGID D0R4HQ DR0383 DFORMULA C207H308N56O58S DR0383 INCHIKEY IDLFZVILOHSSID-OVLDLUHVSA-N DR0383 DRUINCHI 1S/C207H308N56O58S/c1-108(2)89-140(186(302)240-135(69-74-163(279)280)182(298)254-149(204(320)321)94-117-43-20-15-21-44-117)250-193(309)152-54-35-86-262(152)202(318)147(92-116-41-18-14-19-42-116)252-171(287)114(11)230-175(291)132(66-71-160(273)274)234-170(286)113(10)231-191(307)150(105-265)255-183(299)136(70-75-164(281)282)241-190(306)146(98-165(283)284)249-180(296)133(67-72-161(275)276)235-169(285)112(9)229-157(270)101-225-174(290)145(97-156(213)269)251-194(310)153-55-36-87-263(153)203(319)148(93-119-60-64-123(268)65-61-119)253-199(315)167(110(5)6)257-185(301)129(49-26-30-79-210)243-198(314)168(111(7)8)259-196(312)155-57-38-85-261(155)201(317)139(53-34-83-223-207(218)219)244-178(294)130(51-32-81-221-205(214)215)237-177(293)128(48-25-29-78-209)236-176(292)127(47-24-28-77-208)232-158(271)103-227-197(313)166(109(3)4)258-195(311)154-56-37-84-260(154)200(316)138(50-27-31-80-211)233-159(272)102-226-173(289)143(95-120-99-224-126-46-23-22-45-124(120)126)247-179(295)131(52-33-82-222-206(216)217)238-187(303)142(90-115-39-16-13-17-40-115)246-189(305)144(96-121-100-220-107-228-121)248-181(297)134(68-73-162(277)278)239-184(300)137(76-88-322-12)242-192(308)151(106-266)256-188(304)141(245-172(288)125(212)104-264)91-118-58-62-122(267)63-59-118/h13-23,39-46,58-65,99-100,107-114,125,127-155,166-168,224,264-268H,24-38,47-57,66-98,101-106,208-212H2,1-12H3,(H2,213,269)(H,220,228)(H,225,290)(H,226,289)(H,227,313)(H,229,270)(H,230,291)(H,231,307)(H,232,271)(H,233,272)(H,234,286)(H,235,285)(H,236,292)(H,237,293)(H,238,303)(H,239,300)(H,240,302)(H,241,306)(H,242,308)(H,243,314)(H,244,294)(H,245,288)(H,246,305)(H,247,295)(H,248,297)(H,249,296)(H,250,309)(H,251,310)(H,252,287)(H,253,315)(H,254,298)(H,255,299)(H,256,304)(H,257,301)(H,258,311)(H,259,312)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,320,321)(H4,214,215,221)(H4,216,217,222)(H4,218,219,223)/t112-,113-,114-,125-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,166-,167-,168-/m0/s1 DR0383 CASMILES CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)CNC(=O)C(CC(=O)N)NC(=O)C4CCCN4C(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(C(C)C)NC(=O)C(CCCCN)NC(=O)C(C(C)C)NC(=O)C6CCCN6C(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(C(C)C)NC(=O)C7CCCN7C(=O)C(CCCCN)NC(=O)CNC(=O)C(CC8=CNC9=CC=CC=C98)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC1=CN=CN1)NC(=O)C(CCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CO)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CO)N DR0383 CAS__NUM CAS 12427-33-7 DR0383 CHEBINUM 3892 DR0385 DRUG__ID DR0385 DR0385 DRUGNAME Cortisone acetate DR0385 PUBCMCID 5745 DR0385 TTDRUGID D0X4RS DR0385 DFORMULA C23H30O6 DR0385 INCHIKEY ITRJWOMZKQRYTA-RFZYENFJSA-N DR0385 DRUINCHI 1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1 DR0385 CASMILES CC(=O)OCC(=O)C1(CCC2C1(CC(=O)C3C2CCC4=CC(=O)CCC34C)C)O DR0385 CAS__NUM CAS 50-04-4 DR0385 CHEBINUM 3897 DR0386 DRUG__ID DR0386 DR0386 DRUGNAME Coumarin DR0386 PUBCMCID 323 DR0386 TTDRUGID D03ZMQ DR0386 DFORMULA C9H6O2 DR0386 INCHIKEY ZYGHJZDHTFUPRJ-UHFFFAOYSA-N DR0386 DRUINCHI 1S/C15H16O5/c1-8(2)14(17)15(18)10-6-9-4-5-13(16)20-11(9)7-12(10)19-3/h4-7,14-15,17-18H,1H2,2-3H3 DR0386 CASMILES CC(=C)C(C(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)O DR0386 CAS__NUM CAS 91-64-5 DR0386 CHEBINUM 28794 DR0387 DRUG__ID DR0387 DR0387 DRUGNAME Crizotinib DR0387 PUBCMCID 11626560 DR0387 TTDRUGID D03ZBT DR0387 DFORMULA C21H22Cl2FN5O DR0387 INCHIKEY KTEIFNKAUNYNJU-GFCCVEGCSA-N DR0387 DRUINCHI 1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1 DR0387 CASMILES CC(C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N DR0387 CAS__NUM CAS 877399-52-5 DR0387 CHEBINUM 64310 DR0387 PUBCMSID 16729581; 23733583; 74374126; 75543391; 93581001; 99309272; 99437209; 99445171; 103728028; 104161043; 119526687; 121278669; 124490471; 124756975; 125163780; 125299329; 126659900; 131407280; 135264650; 135668295; 135727397; 136345871; 136367829; 136920405; 137232008; 137275901; 141226597; 143499147; 152040652; 152134626; 152237527; 152258843; 152344161; 160644611; 160647693; 160815247; 160969694; 162010188; 162010189; 162011538; 162196520; 162927269; 163565316; 163590241; 164041842; 164193931; 165245564; 170497919; 174531154; 175265614 DR0388 DRUG__ID DR0388 DR0388 DRUGNAME Cyamemazine DR0388 PUBCMCID 62865 DR0388 TTDRUGID D0G7NW DR0388 DFORMULA C19H21N3S DR0388 INCHIKEY SLFGIOIONGJGRT-UHFFFAOYSA-N DR0388 DRUINCHI 1S/C19H21N3S/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)23-19-9-8-15(11-20)10-17(19)22/h4-10,14H,12-13H2,1-3H3 DR0388 CASMILES CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)C#N)CN(C)C DR0388 CAS__NUM CAS 3546-03-0 DR0388 CHEBINUM 135379 DR0388 PUBCMSID 8188334; 14826280; 43119930; 47285901; 47880135; 50006264; 51091644; 57314886; 75129996; 85209840; 96099841; 104326854; 125824719; 135019180; 135650143; 136158994; 136352157; 137006389; 142677092; 160676424; 162221098; 163133724; 164838618; 164838619; 172919690; 179225635; 184530546; 226509842; 249924678 DR0389 DRUG__ID DR0389 DR0389 DRUGNAME BS-572 DR0389 PUBCMCID 2893 DR0389 TTDRUGID D05VQI DR0389 DFORMULA C17H24O3 DR0389 INCHIKEY WZHCOOQXZCIUNC-UHFFFAOYSA-N DR0389 DRUINCHI 1S/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3 DR0389 CASMILES CC1CC(CC(C1)(C)C)OC(=O)C(C2=CC=CC=C2)O DR0389 CAS__NUM CAS 456-59-7 DR0389 CHEBINUM 3988 DR0390 DRUG__ID DR0390 DR0390 DRUGNAME Cyclobenzaprine DR0390 PUBCMCID 2895 DR0390 TTDRUGID D01KHH DR0390 DFORMULA C20H21N DR0390 INCHIKEY JURKNVYFZMSNLP-UHFFFAOYSA-N DR0390 DRUINCHI 1S/C20H21N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3 DR0390 CASMILES CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31 DR0390 CAS__NUM CAS 303-53-7 DR0390 CHEBINUM 3996 DR0390 PUBCMSID 9148; 798360; 4253288; 7407325; 7849637; 8151851; 10320885; 10517820; 11110649; 11110650; 11335222; 11360461; 11364429; 11366991; 11369553; 11372671; 11373782; 11377715; 11446077; 11458991; 11460887; 11461433; 11466473; 11467593; 11485084; 11486165; 11489350; 11491381; 11491977; 11495349; 14872814; 26652854; 29222048; 46508313; 47290965; 47290966; 47290967; 47365012; 47365013; 47440075; 47515151; 47736294; 48110285; 48334305; 49699345; 49961818; 50108641; 50111010; 51092050; 57321502 DR0391 DRUG__ID DR0391 DR0391 DRUGNAME Cyclophosphamide DR0391 PUBCMCID 2907 DR0391 TTDRUGID D0CT9C DR0391 DFORMULA C7H15Cl2N2O2P DR0391 INCHIKEY CMSMOCZEIVJLDB-UHFFFAOYSA-N DR0391 DRUINCHI 1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12) DR0391 CASMILES C1CNP(=O)(OC1)N(CCCl)CCCl DR0391 CAS__NUM CAS 6055-19-2 DR0391 CHEBINUM 3996 DR0391 PUBCMSID 10090; 87150; 141705; 141706; 598053; 5080187; 7979009; 8151862; 10524283; 11110909; 11335421; 11360660; 11363752; 11366314; 11368876; 11371419; 11374027; 11377038; 11406490; 11461632; 11484807; 11488962; 11490186; 11492119; 11494672; 11533313; 14848034; 17404801; 25765844; 29222060; 46505441; 47365072; 47440141; 47515205; 48334372; 48413505; 48415829; 48423195; 49855451; 50000789; 50105634; 50105635; 51092052; 53777344; 53788477; 56310899; 56311422; 56313326; 56313987; 57288588 DR0395 DRUG__ID DR0395 DR0395 DRUGNAME Cyproheptadine DR0395 PUBCMCID 2913 DR0395 TTDRUGID D00TLN DR0395 DFORMULA C21H21N DR0395 INCHIKEY JJCFRYNCJDLXIK-UHFFFAOYSA-N DR0395 DRUINCHI 1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3 DR0395 CASMILES CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1 DR0395 CAS__NUM CAS 129-03-3 DR0395 CHEBINUM 4046 DR0395 PUBCMSID 9151; 597387; 3206368; 4509244; 7979013; 8151866; 10506298; 11110964; 11110965; 11113362; 11466131; 11467251; 11485761; 14751189; 26751603; 29222066; 46508613; 47216945; 47440433; 47440434; 47515490; 47589155; 47736665; 48110626; 48110627; 48185155; 48259431; 48415832; 49698345; 50015917; 50100203; 50104260; 51092057; 78634349; 85209714; 85279540; 85787813; 85788782; 90341656; 92309316; 92729717; 93166482; 94564370; 96079554; 103173872; 103928989; 104171133; 104301985; 108667051; 116933607 DR0396 DRUG__ID DR0396 DR0396 DRUGNAME Cyproterone acetate DR0396 PUBCMCID 9880 DR0396 DFORMULA C24H29ClO4 DR0396 INCHIKEY UWFYSQMTEOIJJG-FDTZYFLXSA-N DR0396 DRUINCHI 1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1 DR0396 CASMILES CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)OC(=O)C DR0396 CAS__NUM CAS 427-51-0 DR0396 CHEBINUM 50743 DR0397 DRUG__ID DR0397 DR0397 DRUGNAME Cysteamine DR0397 PUBCMCID 8890 DR0397 TTDRUGID D0V0LB DR0397 DFORMULA C16H33NO2 DR0397 INCHIKEY JHIXEZNTXMFXEK-UHFFFAOYSA-N DR0397 DRUINCHI 1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)17-14-15-18/h18H,2-15H2,1H3,(H,17,19) DR0397 CASMILES CCCCCCCCCCCCCC(=O)NCCO DR0397 CAS__NUM CAS 60-23-1 DR0397 CHEBINUM 17141 DR0397 PUBCMSID 4871774; 8156317; 14775002; 29227526; 75282554; 85291988; 103832227; 104319009; 107223647; 117540185; 125719032; 126677373; 128275178; 134973230; 137250658; 162791510; 176326518; 178101906; 180112642; 198976125; 223659058; 226647802; 249807261 DR0398 DRUG__ID DR0398 DR0398 DRUGNAME Cytarabine DR0398 PUBCMCID 6253 DR0398 TTDRUGID D07XSN DR0398 DFORMULA C9H13N3O5 DR0398 INCHIKEY UHDGCWIWMRVCDJ-CCXZUQQUSA-N DR0398 DRUINCHI 1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1 DR0398 CASMILES C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O DR0398 CAS__NUM CAS 147-94-4 DR0398 CHEBINUM 28680 DR0398 PUBCMSID 5877; 598052; 829245; 3260118; 7847236; 7885952; 7979015; 8153933; 11528303; 11533128; 12146044; 14774115; 15196510; 24858315; 24892435; 26527898; 26719755; 29215144; 29225249; 46386862; 46505879; 47193873; 47573376; 48415837; 49831046; 50105698; 53787662; 56310997; 56311029; 56312269; 56312943; 56313129; 56313612; 76890970; 83110442; 87558791; 90341066; 92308449; 92309014; 93166529; 93167157; 103210760; 103986361; 104253284; 104311532; 117529237; 118048876; 124648720; 124757405; 124799562 DR0400 DRUG__ID DR0400 DR0400 DRUGNAME Dabigatran etexilate DR0400 PUBCMCID 9578572 DR0400 TTDRUGID D0KI5R DR0400 DFORMULA C34H41N7O5 DR0400 INCHIKEY KSGXQBZTULBEEQ-UHFFFAOYSA-N DR0400 DRUINCHI 1S/C34H41N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44) DR0400 CASMILES CCCCCCOC(=O)N=C(C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)N DR0400 CAS__NUM CAS 211915-06-9 DR0400 CHEBINUM 70746 DR0403 DRUG__ID DR0403 DR0403 DRUGNAME Dabrafenib mesylate DR0403 PUBCMCID 44516822 DR0403 TTDRUGID D05ROI DR0403 DFORMULA C24H24F3N5O5S3 DR0403 INCHIKEY YKGMKSIHIVVYKY-UHFFFAOYSA-N DR0403 DRUINCHI 1S/C23H20F3N5O2S2.CH4O3S/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25;1-5(2,3)4/h4-11,31H,1-3H3,(H2,27,28,29);1H3,(H,2,3,4) DR0403 CASMILES CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F.CS(=O)(=O)O DR0403 CAS__NUM CAS 1195768-06-9 DR0403 CHEBINUM 75048 DR0404 DRUG__ID DR0404 DR0404 DRUGNAME Dacarbazine DR0404 PUBCMCID 135398738 DR0404 TTDRUGID D0Y7ZU DR0404 DFORMULA C6H10N6O DR0404 INCHIKEY FDKXTQMXEQVLRF-ZHACJKMWSA-N DR0404 DRUINCHI 1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)/b11-10+ DR0404 CASMILES CN(C)N=NC1=C(NC=N1)C(=O)N DR0404 CAS__NUM CAS 4342-03-4 DR0404 CHEBINUM 94587 DR0406 DRUG__ID DR0406 DR0406 DRUGNAME Daclatasvir dihydrochloride DR0406 PUBCMCID 25154713 DR0406 TTDRUGID D09SGV DR0406 DFORMULA C40H52Cl2N8O6 DR0406 INCHIKEY BVZLLUDATICXCI-JMSCDMLISA-N DR0406 DRUINCHI 1S/C40H50N8O6.2ClH/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6;;/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52);2*1H/t31-,32-,33-,34-;;/m0../s1 DR0406 CASMILES CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)C6CCCN6C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC.Cl.Cl DR0406 CAS__NUM CAS 1009119-65-6 DR0406 CHEBINUM 83800 DR0407 DRUG__ID DR0407 DR0407 DRUGNAME Dacomitinib DR0407 PUBCMCID 11511120 DR0407 TTDRUGID D06XXH DR0407 DFORMULA C24H25ClFN5O2 DR0407 INCHIKEY LVXJQMNHJWSHET-AATRIKPKSA-N DR0407 DRUINCHI 1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+ DR0407 CASMILES COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)C=CCN4CCCCC4 DR0407 CAS__NUM CAS 1110813-31-4 DR0407 CHEBINUM 132268 DR0407 PUBCMSID 16613030; 23640600; 74609599; 135263265; 135626635; 136340260; 136349571; 136367702; 140977763; 152159560;152258509; 160647344; 162011542; 162038136; 162205175; 164041746; 172918917; 174505192; 174526192; 178103994; 185997026; 189622863; 194690240; 198956821; 223382341; 223705276; 252109876; 252216044; 252451737; 252451797 DR0408 DRUG__ID DR0408 DR0408 DRUGNAME Dalfampridine DR0408 PUBCMCID 1727 DR0408 TTDRUGID D08YIN DR0408 DFORMULA C5H6N2 DR0408 INCHIKEY NUKYPUAOHBNCPY-UHFFFAOYSA-N DR0408 DRUINCHI 1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7) DR0408 CASMILES C1=CN=CC=C1N DR0408 CAS__NUM CAS 504-24-5 DR0408 CHEBINUM 34385 DR0408 PUBCMSID 79008; 586317; 588069; 609871; 3131998; 7436395; 7980066; 8139900; 8149726; 8151260; 10524391; 11110683; 11113806; 11120234; 11120722; 11121210; 11121627; 11122107; 11335747; 11360986; 11362696; 11363049; 11365258; 11365611; 11367820; 11368173; 11370663; 11370664; 11371987; 11373421; 11374643; 11375982; 11376335; 11461958; 11485222; 11489229; 11490729; 11492827; 11493969; 11537232; 12014686; 15194226; 16957228; 17404596; 22391537; 24398105; 24856677; 24862717; 24891285; 26612183 DR0411 DRUG__ID DR0411 DR0411 DRUGNAME Dantrolene sodium DR0411 PUBCMCID 6604100 DR0411 TTDRUGID D0I8DD DR0411 DFORMULA C14H9N4NaO5 DR0411 INCHIKEY KSRLIXGNPXAZHD-HAZZGOGXSA-M DR0411 DRUINCHI 1S/C14H10N4O5.Na/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22;/h1-7H,8H2,(H,16,19,20);/q;+1/p-1/b15-7+; DR0411 CASMILES C1C(=NC(=O)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[O-].[Na+] DR0411 CAS__NUM CAS 14663-23-1 DR0411 CHEBINUM 4318 DR0412 DRUG__ID DR0412 DR0412 DRUGNAME Dapagliflozin DR0412 PUBCMCID 9887712 DR0412 TTDRUGID D01TNW DR0412 DFORMULA C21H25ClO6 DR0412 INCHIKEY JVHXJTBJCFBINQ-ADAARDCZSA-N DR0412 DRUINCHI 1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1 DR0412 CASMILES CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3C(C(C(C(O3)CO)O)O)O)Cl DR0412 CAS__NUM CAS 461432-26-8 DR0412 CHEBINUM 61397 DR0412 PUBCMSID 14855234; 15451267; 24173975; 45634651; 49688954; 57304407; 57373691; 76500746; 96025580; 103578280; 104253204; 109692963; 123051086; 124757330; 124772065; 125164134; 126667088; 126731318; 134338792; 134358357; 136348250; 136367545; 136367974; 137261282; 140046947; 143499356; 144115882; 152234916; 152258220; 160647056; 162011553; 162037657; 162172238; 164838825; 165245557; 170497930; 174529446; 175427068; 178101315; 185978787; 194946819; 198934677; 198991956; 210024059; 211535346; 221678783; 223471387; 223554897;223670709; 223701082 DR0414 DRUG__ID DR0414 DR0414 DRUGNAME Dapoxetine DR0414 PUBCMCID 71353 DR0414 TTDRUGID D0H5LK DR0414 DFORMULA C21H23NO DR0414 INCHIKEY USRHYDPUVLEVMC-FQEVSTJZSA-N DR0414 DRUINCHI 1S/C21H23NO/c1-22(2)20(18-10-4-3-5-11-18)15-16-23-21-14-8-12-17-9-6-7-13-19(17)21/h3-14,20H,15-16H2,1-2H3/t20-/m0/s1 DR0414 CASMILES CN(C)C(CCOC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3 DR0414 CAS__NUM CAS 119356-77-3 DR0414 CHEBINUM 135962 DR0414 PUBCMSID 8194577; 14849767; 14923158; 43127692; 49880434; 57318151; 79154397; 103065098; 103078304; 104350255; 117555106; 121277907; 126629125; 135029363; 135929225; 137249315; 140744274; 152034602; 152164187; 160839263; 162180638; 162224681; 163099314; 163402775; 163884608; 164788309; 170466555; 172091693; 172913400; 174006832; 175426887; 176484780; 179149672; 198971449; 204429427; 223535479; 223656149; 224680431; 226420934; 242549858; 242590301; 249565584; 249865605; 251916780; 251918019; 252077306; 252347836; 252430157 DR0415 DRUG__ID DR0415 DR0415 DRUGNAME Dapsone DR0415 PUBCMCID 2955 DR0415 TTDRUGID D0MA9N DR0415 DFORMULA C12H12N2O2S DR0415 INCHIKEY MQJKPEGWNLWLTK-UHFFFAOYSA-N DR0415 DRUINCHI 1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2 DR0415 CASMILES C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N DR0415 CAS__NUM CAS 80-08-0 DR0415 CHEBINUM 4325 DR0415 PUBCMSID 9868; 72086; 601388; 855979; 866561; 3172497; 3293541; 4280275; 7847658; 7979025; 8149283; 8151886; 10321253;10536207; 11112211; 11142519; 11335748; 11360987; 11363782; 11366344; 11368906; 11371449; 11374039; 11377068; 11461959; 11466063; 11467183; 11484761; 11485786; 11488949; 11490191; 11492125; 11494702;15196656; 17389950; 24714727; 24859802; 24869870; 24891242; 26611685; 26679780; 26747072; 26747073; 26751585; 29222105; 46505300; 47588972; 47736452; 47736453; 47885386 DR0417 DRUG__ID DR0417 DR0417 DRUGNAME Darifenacin hydrobromide DR0417 PUBCMCID 444030 DR0417 TTDRUGID D0Y5AM DR0417 DFORMULA C28H31BrN2O2 DR0417 INCHIKEY UQAVIASOPREUIT-VQIWEWKSSA-N DR0417 DRUINCHI 1S/C28H30N2O2.BrH/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26;/h1-12,19,25H,13-18,20H2,(H2,29,31);1H/t25-;/m1./s1 DR0417 CASMILES C1CN(CC1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5.Br DR0417 CAS__NUM CAS 133099-07-7 DR0417 CHEBINUM 31455 DR0418 DRUG__ID DR0418 DR0418 DRUGNAME Darodipine DR0418 PUBCMCID 51701 DR0418 TTDRUGID D0B9TX DR0418 DFORMULA C19H21N3O5 DR0418 INCHIKEY QERUYFVNIOLCHV-UHFFFAOYSA-N DR0418 DRUINCHI 1S/C19H21N3O5/c1-5-25-18(23)14-10(3)20-11(4)15(19(24)26-6-2)16(14)12-8-7-9-13-17(12)22-27-21-13/h7-9,16,20H,5-6H2,1-4H3 DR0418 CASMILES CCOC(=O)C1=C(NC(=C(C1C2=CC=CC3=NON=C32)C(=O)OCC)C)C DR0418 CAS__NUM CAS 72803-02-2 DR0419 DRUG__ID DR0419 DR0419 DRUGNAME Darolutamide DR0419 PUBCMCID 67171867 DR0419 TTDRUGID D0DV6D DR0419 DFORMULA C19H19ClN6O2 DR0419 INCHIKEY BLIJXOOIHRSQRB-PXYINDEMSA-N DR0419 DRUINCHI 1S/C19H19ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11-12,27H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-,12?/m0/s1 DR0419 CASMILES CC(CN1C=CC(=N1)C2=CC(=C(C=C2)C#N)Cl)NC(=O)C3=NNC(=C3)C(C)O DR0419 CAS__NUM CAS 1297538-32-9 DR0420 DRUG__ID DR0420 DR0420 DRUGNAME Darunavir DR0420 PUBCMCID 213039 DR0420 TTDRUGID D03IGH DR0420 DFORMULA C27H37N3O7S DR0420 INCHIKEY CJBJHOAVZSMMDJ-HEXNFIEUSA-N DR0420 DRUINCHI 1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1 DR0420 CASMILES CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N DR0420 CAS__NUM CAS 206361-99-1 DR0420 CHEBINUM 367163 DR0420 PUBCMSID 628316; 7884953; 9371109; 10322685; 10322696; 11108879; 12015589; 14719987; 14719990; 14720157; 14788134; 17397753; 30417278; 46394098; 46394099; 46394100; 46394252; 46394253; 46394275; 46394276; 46506908; 49661683; 49743126; 49743141; 49743143; 50070565; 50071308; 50074527; 50113275; 50333303; 53777066; 57399654; 85098698; 85177032; 85177058; 85756739; 85756740; 87351130; 87557585; 87557699; 87557709; 87557710; 99226867; 99226870; 99226871; 104223585; 104234207; 113453152; 115001517; 117695824 DR0422 DRUG__ID DR0422 DR0422 DRUGNAME ABT-333 DR0422 PUBCMCID 56640146 DR0422 TTDRUGID D04KJT DR0422 DFORMULA C26H27N3O5S DR0422 INCHIKEY NBRBXGKOEOGLOI-UHFFFAOYSA-N DR0422 DRUINCHI 1S/C26H27N3O5S/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18/h6-15,28H,1-5H3,(H,27,30,31) DR0422 CASMILES CC(C)(C)C1=CC(=CC(=C1OC)C2=CC3=C(C=C2)C=C(C=C3)NS(=O)(=O)C)N4C=CC(=O)NC4=O DR0422 CAS__NUM CAS 1132935-63-7 DR0422 CHEBINUM 85182 DR0423 DRUG__ID DR0423 DR0423 DRUGNAME Dasatinib DR0423 PUBCMCID 3062316 DR0423 TTDRUGID D0E6XR DR0423 DFORMULA C22H26ClN7O2S DR0423 INCHIKEY ZBNZXTGUTAYRHI-UHFFFAOYSA-N DR0423 DRUINCHI 1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) DR0423 CASMILES CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO DR0423 CAS__NUM CAS 302962-49-8 DR0423 CHEBINUM 49375 DR0423 PUBCMSID 10061134; 12015788; 14859389; 17397755; 17422520; 36127155; 46505143; 46513626; 47883136; 48429642; 49742622;50070229; 50070567; 50071309; 50100097; 50125840; 52995488; 53799228; 56312240; 56312839; 56313127; 56373968; 56459420; 57288451; 57354110; 57551950; 74374210; 85246174; 87235888; 87357382; 93581026;99381604; 99437986; 103501621; 103905543; 111644212; 117418208; 117695728; 118050493; 119503515; 124361516; 124756940; 124893650; 124893651; 124893652; 125001912; 125163747; 125264620; 125347447; 126624063 DR0424 DRUG__ID DR0424 DR0424 DRUGNAME Daunorubicin DR0424 PUBCMCID 30323 DR0424 TTDRUGID D01XWG DR0424 DFORMULA C27H29NO10 DR0424 INCHIKEY STQGQHZAVUOBTE-VGBVRHCVSA-N DR0424 DRUINCHI 1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1 DR0424 CASMILES CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O DR0424 CAS__NUM CAS 20830-81-3 DR0424 CHEBINUM 41977 DR0424 PUBCMSID 5016; 596008; 866161; 7887073; 7979028; 8171488; 11114094; 14763056; 15481415; 24769892; 26697306; 26701813; 26704223; 26715132; 26718351; 26718779; 29215022; 34672588; 46508433; 47440436; 47736668; 48110630; 48415843; 49699346; 49855159; 50070917; 50104250; 53788227; 56465013; 57288764; 57310919; 74382025; 74462219; 85788867; 92307396; 92308820; 96024474; 103477782; 104066339; 104307942; 117393873; 124766118; 124886869; 124886870; 124886871; 125299287; 126663226; 127301039; 127301040; 127301041 DR0427 DRUG__ID DR0427 DR0427 DRUGNAME BS-3952 DR0427 PUBCMCID 2966 DR0427 TTDRUGID D0MP5H DR0427 DFORMULA C10H13N3 DR0427 INCHIKEY JWPGJSVJDAJRLW-UHFFFAOYSA-N DR0427 DRUINCHI 1S/C10H13N3/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13/h1-4H,5-7H2,(H3,11,12) DR0427 CASMILES C1CN(CC2=CC=CC=C21)C(=N)N DR0427 CAS__NUM CAS 1131-64-2 DR0427 CHEBINUM 34665 DR0427 PUBCMSID 794638; 841242; 5535330; 7846928; 7979030; 8151889; 11112418; 11466400; 11467520; 11486180; 14968163; 29222116; 46507664; 47291325; 47589190; 47885609; 48110673; 48334720; 48415845; 49698461; 50064178; 50100434; 50100435; 50715101; 53787958; 56394850; 57321534; 57872971; 81121137; 88560042; 92308985; 103426282; 104015275;104302135; 104773785; 125689076; 126525753; 128338031; 131290193; 134337449; 134980804; 137014737; 142987200; 143633555; 160967816; 162776450; 164844863; 170049193; 172913429; 176484158 DR0429 DRUG__ID DR0429 DR0429 DRUGNAME Deferasirox DR0429 PUBCMCID 214348 DR0429 DFORMULA C21H15N3O4 DR0429 INCHIKEY BOFQWVMAQOTZIW-UHFFFAOYSA-N DR0429 DRUINCHI C1CCC(C(C1)CN2CCN(CC2)C3=NSC4=CC=CC=C43)CN5C(=O)C6C7CCC(C7)C6C5=O DR0429 CASMILES C1CCC(C(C1)CN2CCN(CC2)C3=NSC4=CC=CC=C43)CN5C(=O)C6C7CCC(C7)C6C5=O DR0429 CAS__NUM C1CCC(C(C1)CN2CCN(CC2)C3=NSC4=CC=CC=C43)CN5C(=O)C6C7CCC(C7)C6C5=O DR0429 CHEBINUM 49005 DR0430 DRUG__ID DR0430 DR0430 DRUGNAME Deflazacort DR0430 PUBCMCID 26709 DR0430 TTDRUGID D09WYX DR0430 DFORMULA C25H31NO6 DR0430 INCHIKEY FBHSPRKOSMHSIF-UHFFFAOYSA-N DR0430 DRUINCHI 1S/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3 DR0430 CASMILES CC1=NC2(C(O1)CC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)C(=O)COC(=O)C DR0430 CAS__NUM CAS 14484-47-0 DR0430 PUBCMSID 29293537; 50019505; 57310307; 78434559; 81041118; 104298055; 125341126; 126667087; 136298778; 137231389; 163133908; 164788299; 223659443; 226396091; 251887654 DR0431 DRUG__ID DR0431 DR0431 DRUGNAME Dehydroepiandrosterone DR0431 PUBCMCID 5881 DR0431 TTDRUGID D0K0EK DR0431 DFORMULA C19H28O2 DR0431 INCHIKEY FMGSKLZLMKYGDP-USOAJAOKSA-N DR0431 DRUINCHI 1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1 DR0431 CASMILES CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C DR0431 CAS__NUM CAS 53-43-0 DR0431 CHEBINUM 28689 DR0431 PUBCMSID 1983; 4449; 75250; 596018; 837865; 841442; 3135651; 7885884; 8145544; 8153636; 11446567; 12014907; 12146065; 14751238; 14775640; 17404931; 24278369; 24702275; 26703947; 29224908; 46387028; 46508824; 47193749; 47959958; 48413520; 48415849; 49681751; 49747225; 49857278; 50172721; 53777474; 53788218; 56312069; 56312916; 56313484; 56313819; 56320669; 56320670; 57323014; 87566797; 91692812; 92297484; 92303742; 92308678; 92309040; 92709895; 93167098; 96025095; 103302695; 104095449 DR0432 DRUG__ID DR0432 DR0432 DRUGNAME Delamanid DR0432 PUBCMCID 6480466 DR0432 TTDRUGID D0S3NU DR0432 DFORMULA C25H25F3N4O6 DR0432 INCHIKEY XDAOLTSRNUSPPH-XMMPIXPASA-N DR0432 DRUINCHI 1S/C25H25F3N4O6/c1-24(15-31-14-22(32(33)34)29-23(31)38-24)16-35-18-4-2-17(3-5-18)30-12-10-20(11-13-30)36-19-6-8-21(9-7-19)37-25(26,27)28/h2-9,14,20H,10-13,15-16H2,1H3/t24-/m1/s1 DR0432 CASMILES CC1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)OC5=CC=C(C=C5)OC(F)(F)F DR0432 CAS__NUM CAS 681492-22-8 DR0432 CHEBINUM 134742 DR0434 DRUG__ID DR0434 DR0434 DRUGNAME Delavirdine mesylate DR0434 PUBCMCID 441386 DR0434 TTDRUGID D0G6SD DR0434 DFORMULA C23H32N6O6S2 DR0434 INCHIKEY MEPNHSOMXMALDZ-UHFFFAOYSA-N DR0434 DRUINCHI 1S/C22H28N6O3S.CH4O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20;1-5(2,3)4/h4-8,13-15,24-26H,9-12H2,1-3H3;1H3,(H,2,3,4) DR0434 CASMILES CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C.CS(=O)(=O)O DR0434 CAS__NUM CAS 147221-93-0 DR0434 CHEBINUM 4379 DR0435 DRUG__ID DR0435 DR0435 DRUGNAME Demegestone DR0435 PUBCMCID 93057 DR0435 DFORMULA C21H28O2 DR0435 INCHIKEY JWAHBTQSSMYISL-MHTWAQMVSA-N DR0435 DRUINCHI 1S/C21H28O2/c1-13(22)20(2)11-9-19-18-6-4-14-12-15(23)5-7-16(14)17(18)8-10-21(19,20)3/h12,18-19H,4-11H2,1-3H3/t18-,19+,20-,21+/m1/s1 DR0435 CASMILES CC(=O)C1(CCC2C1(CCC3=C4CCC(=O)C=C4CCC23)C)C DR0435 CAS__NUM CAS 10116-22-0 DR0435 CHEBINUM 135339 DR0436 DRUG__ID DR0436 DR0436 DRUGNAME Desipramine DR0436 PUBCMCID 2995 DR0436 TTDRUGID D01UTL DR0436 DFORMULA C18H22N2 DR0436 INCHIKEY HCYAFALTSJYZDH-UHFFFAOYSA-N DR0436 DRUINCHI 1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3 DR0436 CASMILES CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31 DR0436 CAS__NUM CAS 50-47-5 DR0436 CHEBINUM 47781 DR0436 PUBCMSID 9158; 647048; 3249345; 3727070; 5321893; 7737258; 7979043; 8151907; 10524411; 11111066; 11111067; 11335365; 11360604; 11363335; 11365897; 11368459; 11371457; 11374067; 11376621; 11461576; 11466371; 11467491; 11483778; 11486062; 11487907; 11490195; 11492129; 11494255; 14774838; 29214812; 29222144; 46504624; 47291013; 47291014; 47736341; 47736342; 47736343; 47959596; 48259094; 48259095; 48415856; 49698852; 49961473; 50100220; 50104283; 53787179; 57321547; 76076257; 85209781; 85753308 DR0437 DRUG__ID DR0437 DR0437 DRUGNAME Desmosterol DR0437 PUBCMCID 439577 DR0437 TTDRUGID D01RNA DR0437 DFORMULA C27H44O DR0437 INCHIKEY AVSXSVCZWQODGV-DPAQBDIFSA-N DR0437 DRUINCHI 1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 DR0437 CASMILES CC(CCC=C(C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C DR0437 CAS__NUM CAS 313-04-2 DR0437 CHEBINUM 17737 DR0437 PUBCMSID 4928; 4266377; 8144027; 10298383; 15978228; 24894033; 36883775; 52670367; 57394893; 57403092; 99300578; 103637422; 104620858; 126524635; 127466210; 135651470; 137237337; 138128789; 138613691; 162221242; 164815728; 179293074; 184544358; 198962901; 223703363; 224772242; 226520608; 252363923; 252551927; 252669467 DR0438 DRUG__ID DR0438 DR0438 DRUGNAME Desogestrel DR0438 PUBCMCID 40973 DR0438 TTDRUGID D06CGB DR0438 DFORMULA C22H30O DR0438 INCHIKEY RPLCPCMSCLEKRS-BPIQYHPVSA-N DR0438 DRUINCHI 1S/C22H30O/c1-4-21-14-15(3)20-17-9-7-6-8-16(17)10-11-18(20)19(21)12-13-22(21,23)5-2/h2,8,17-20,23H,3-4,6-7,9-14H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1 DR0438 CASMILES CCC12CC(=C)C3C(C1CCC2(C#C)O)CCC4=CCCCC34 DR0438 CAS__NUM CAS 54024-22-5 DR0438 CHEBINUM 4453 DR0438 PUBCMSID 9831; 7849426; 7979047; 8176865; 12015338; 14923366; 14923367; 24702329; 34706666; 46505739; 48415858; 49963130;50112703; 53787301; 56352943; 57312489; 71831485; 78875517; 92717926; 103566300; 104335749; 117391777; 126621867; 126653606; 126671043; 134338449; 135003936; 135727366; 136197332; 137002814; 140504081; 144206006; 152102617; 160963652; 162176918; 163133991; 164152385; 164756093; 175267238; 178103644; 179150590; 184552366; 196105624; 206246236; 223673205; 223974105; 226426388; 241094430 DR0439 DRUG__ID DR0439 DR0439 DRUGNAME Desonide DR0439 PUBCMCID 5311066 DR0439 TTDRUGID D02JNM DR0439 DFORMULA C24H32O6 DR0439 INCHIKEY WBGKWQHBNHJJPZ-LECWWXJVSA-N DR0439 DRUINCHI 1S/C24H32O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,15-17,19-20,25,27H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,20+,22-,23-,24+/m0/s1 DR0439 CASMILES CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C)C DR0439 CAS__NUM CAS 638-94-8 DR0439 CHEBINUM 204734 DR0439 PUBCMSID 7979048; 11056247; 14855707; 17397789; 39340794; 46506186; 49834374; 57359343; 71840210; 74651042; 85403370; 103771092; 104179089; 104253319; 124757438; 125164242; 134338433; 134975842; 135653473; 135692232; 136311366; 137125311; 139999928; 144206156; 160964591; 162178659; 170464832; 175268455; 175612227; 176484695; 178103645; 179150829; 210279389; 210281712; 224521289; 226395768; 251915933; 251917281; 252347928 DR0440 DRUG__ID DR0440 DR0440 DRUGNAME Desoxycorticosterone acetate DR0440 PUBCMCID 3001 DR0440 TTDRUGID D02CJX DR0440 DFORMULA C23H32O4 DR0440 INCHIKEY VPGRYOFKCNULNK-UHFFFAOYSA-N DR0440 DRUINCHI 1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3 DR0440 CASMILES CC(=O)OCC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C DR0440 CAS__NUM CAS 56-47-3 DR0441 DRUG__ID DR0441 DR0441 DRUGNAME Desoxycorticosterone pivalate DR0441 PUBCMCID 11876263 DR0441 TTDRUGID D0W5LS DR0441 DFORMULA C26H38O4 DR0441 INCHIKEY VVOIQBFMTVCINR-WWMZEODYSA-N DR0441 DRUINCHI 1S/C26H38O4/c1-24(2,3)23(29)30-15-22(28)21-9-8-19-18-7-6-16-14-17(27)10-12-25(16,4)20(18)11-13-26(19,21)5/h14,18-21H,6-13,15H2,1-5H3/t18-,19-,20-,21+,25-,26-/m0/s1 DR0441 CASMILES CC12CCC3C(C1CCC2C(=O)COC(=O)C(C)(C)C)CCC4=CC(=O)CCC34C DR0441 CAS__NUM CAS 808-48-0 DR0441 CHEBINUM 50782 DR0441 PUBCMSID 12209335; 17397792; 23913272; 25652970; 29216193; 32901144; 56353007; 57377362; 78892626; 90472274; 103770575; 131326978; 134223711; 134976993; 144205152; 162179016; 162260006; 166210033; 175266301; 180100849; 226491668; 241163658; 252347931 DR0442 DRUG__ID DR0442 DR0442 DRUGNAME Desoxycortone DR0442 PUBCMCID 6166 DR0442 TTDRUGID D04SQY DR0442 DFORMULA C21H30O3 DR0442 INCHIKEY ZESRJSPZRDMNHY-YFWFAHHUSA-N DR0442 DRUINCHI 1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1 DR0442 CASMILES CC12CCC3C(C1CCC2C(=O)CO)CCC4=CC(=O)CCC34C DR0442 CAS__NUM CAS 64-85-7 DR0442 CHEBINUM 16973 DR0442 PUBCMSID 6081; 841768; 855538; 3136426; 6435811; 6436728; 7885076; 8144739; 8153870; 11466985; 11468105; 11486839; 12146618; 14753185; 24702312; 24894056; 26737269; 29225165; 47275752; 47573556; 48094736; 48243599; 49699039; 49960527; 50103900; 53788533; 56412749; 56424139; 57323229; 57392893; 80433608; 81062004; 81093225; 85165316; 85787368; 92125920; 92298674; 96024489; 103556916; 103914536; 104311286; 109658567; 121363591; 124801181; 125003832; 126522953; 126651375; 127337403; 127337404; 127342267 DR0444 DRUG__ID DR0444 DR0444 DRUGNAME Desvenlafaxine succinate DR0444 PUBCMCID 6918664 DR0444 TTDRUGID D03CEF DR0444 DFORMULA C20H33NO7 DR0444 INCHIKEY PWPDEXVGKDEKTE-UHFFFAOYSA-N DR0444 DRUINCHI 1S/C16H25NO2.C4H6O4.H2O/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;5-3(6)1-2-4(7)8;/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1-2H2,(H,5,6)(H,7,8);1H2 DR0444 CASMILES CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O.C(CC(=O)O)C(=O)O.O DR0444 CAS__NUM CAS 386750-22-7 DR0444 PUBCMSID 12015689; 14805740; 17195029; 17396741; 43530029; 57372002; 80857457; 99374471; 114788331; 117695404; 126680505; 134338666; 135214118; 137244460; 152039563; 163123299; 186011671; 204376633; 223669237; 227504309 DR0445 DRUG__ID DR0445 DR0445 DRUGNAME Deutetrabenazine DR0445 PUBCMCID 73442840 DR0445 TTDRUGID D0E7ZU DR0445 DFORMULA C19H27NO3 DR0445 INCHIKEY MKJIEFSOBYUXJB-WEZHFFAMSA-N DR0445 DRUINCHI 1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t14-,16-/m0/s1/i3D3,4D3 DR0445 CASMILES CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1=O)OC)OC DR0445 CAS__NUM CAS 1392826-25-3 DR0445 PUBCMSID 311000000 DR0451 DRUG__ID DR0451 DR0451 DRUGNAME Dexamethasone acetate DR0451 PUBCMCID 236702 DR0451 TTDRUGID D0IT2G DR0451 DFORMULA C24H31FO6 DR0451 INCHIKEY AKUJBENLRBOFTD-RPRRAYFGSA-N DR0451 DRUINCHI 1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1 DR0451 CASMILES CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C)O)C)O)F)C DR0451 CAS__NUM CAS 1177-87-3 DR0451 CHEBINUM 4463 DR0457 DRUG__ID DR0457 DR0457 DRUGNAME NOVA-63035 DR0457 PUBCMCID 63044 DR0457 TTDRUGID D07MME DR0457 DFORMULA C38H59FO6 DR0457 INCHIKEY WDPYZTKOEFDTCU-WDJQFAPHSA-N DR0457 DRUINCHI 1S/C38H59FO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34(43)45-26-33(42)38(44)27(2)23-31-30-20-19-28-24-29(40)21-22-35(28,3)37(30,39)32(41)25-36(31,38)4/h21-22,24,27,30-32,41,44H,5-20,23,25-26H2,1-4H3/t27-,30+,31+,32+,35+,36+,37+,38+/m1/s1 DR0457 CASMILES CCCCCCCCCCCCCCCC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)O DR0457 CAS__NUM CAS 14899-36-6 DR0457 CHEBINUM 31471 DR0461 DRUG__ID DR0461 DR0461 DRUGNAME Dexamethasone sodium phosphate DR0461 PUBCMCID 16961 DR0461 TTDRUGID D0NA8U DR0461 DFORMULA C22H28FNa2O8P DR0461 INCHIKEY PLCQGRYPOISRTQ-FCJDYXGNSA-L DR0461 DRUINCHI 1S/C22H30FO8P.2Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/q;2*+1/p-2/t12-,15+,16+,17+,19+,20+,21+,22+;;/m1../s1 DR0461 CASMILES CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+] DR0461 CAS__NUM CAS 2392-39-4 DR0461 CHEBINUM 4462 DR0465 DRUG__ID DR0465 DR0465 DRUGNAME Dexchlorpheniramine maleate DR0465 PUBCMCID 5281070 DR0465 TTDRUGID D05ZGQ DR0465 DFORMULA C20H23ClN2O4 DR0465 INCHIKEY DBAKFASWICGISY-DASCVMRKSA-N DR0465 DRUINCHI 1S/C16H19ClN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-;/m0./s1 DR0465 CASMILES CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=CC(=O)O)C(=O)O DR0465 CAS__NUM CAS 2438-32-6 DR0465 CHEBINUM 4465 DR0466 DRUG__ID DR0466 DR0466 DRUGNAME Dexfenfluramine DR0466 PUBCMCID 66265 DR0466 TTDRUGID D0F9SG DR0466 DFORMULA C12H16F3N DR0466 INCHIKEY DBGIVFWFUFKIQN-VIFPVBQESA-N DR0466 DRUINCHI 1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/t9-/m0/s1 DR0466 CASMILES CCNC(C)CC1=CC(=CC=C1)C(F)(F)F DR0466 CAS__NUM CAS 3239-44-9 DR0466 CHEBINUM 439329 DR0466 PUBCMSID 11646562; 14822931; 15220690; 43122969; 46508388; 47285835; 47954450; 48253936; 48329036; 77105781; 85629918; 96024502; 103558716; 104335985; 117504738; 124954078; 127709650; 134982470; 136351696; 137100755; 179150317; 198941478; 198941479; 198956174; 223518912; 226406858 DR0468 DRUG__ID DR0468 DR0468 DRUGNAME Dexibuprofen DR0468 PUBCMCID 39912 DR0468 TTDRUGID D06YPU DR0468 DFORMULA C13H18O2 DR0468 INCHIKEY HEFNNWSXXWATRW-JTQLQIEISA-N DR0468 DRUINCHI 1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1 DR0468 CASMILES CC(C)CC1=CC=C(C=C1)C(C)C(=O)O DR0468 CAS__NUM CAS 51146-56-6 DR0468 CHEBINUM 43415 DR0469 DRUG__ID DR0469 DR0469 DRUGNAME Dexlansoprazole DR0469 PUBCMCID 9578005 DR0469 TTDRUGID D06YYD DR0469 DFORMULA C16H14F3N3O2S DR0469 INCHIKEY MJIHNNLFOKEZEW-RUZDIDTESA-N DR0469 DRUINCHI 1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)/t25-/m1/s1 DR0469 CASMILES CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F DR0469 CAS__NUM CAS 103577-45-3 DR0469 CHEBINUM 6375 DR0469 PUBCMSID 14901842; 15375021; 23998121; 25819922; 44715913; 80665304; 89736101; 96025586; 104179070; 104234371; 126682042; 128604168; 135156589; 137931058; 140767605; 162189572; 164178109; 164761527; 170503333; 175265917; 175269426; 175611039; 178102134; 184527042; 185965235;210274918; 210280553; 223658647; 223798807; 226429139; 241033947; 251879797; 252151427; 252431524; 252811271 DR0470 DRUG__ID DR0470 DR0470 DRUGNAME CR-2017 DR0470 PUBCMCID 65937 DR0470 TTDRUGID D0TL7L DR0470 DFORMULA C21H30Cl2N2O5 DR0470 INCHIKEY QNQZBKQEIFTHFZ-GOSISDBHSA-N DR0470 DRUINCHI 1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74) DR0470 CASMILES CCCCCN(CCCOC)C(=O)C(CCC(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)Cl DR0470 CAS__NUM CAS 25126-32-3 DR0470 CHEBINUM 135747 DR0472 DRUG__ID DR0472 DR0472 DRUGNAME Dexmedetomidine hydrochloride DR0472 PUBCMCID 6918081 DR0472 TTDRUGID D0U3DU DR0472 DFORMULA C13H17ClN2 DR0472 INCHIKEY VPNGEIHDPSLNMU-MERQFXBCSA-N DR0472 DRUINCHI 1S/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H/t11-;/m0./s1 DR0472 CASMILES CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C.Cl DR0472 CAS__NUM CAS 145108-58-3 DR0472 CHEBINUM 31472 DR0473 DRUG__ID DR0473 DR0473 DRUGNAME GTPL-463 DR0473 PUBCMCID 6918097 DR0473 TTDRUGID D0B1MJ DR0473 DFORMULA C36H39N3O6 DR0473 INCHIKEY SVJMLYUFVDMUHP-MGBGTMOVSA-N DR0473 DRUINCHI 1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3/t33-/m1/s1 DR0473 CASMILES CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC DR0473 CAS__NUM CAS 120054-86-6 DR0473 CHEBINUM 103932 DR0473 PUBCMSID 14789507; 14911981; 23950802; 43529492; 47434813; 48179674; 80372165; 103942847; 114787431; 134341343; 135183324; 135650907; 139282995; 160690555; 198939748; 225066780; 227012617 DR0476 DRUG__ID DR0476 DR0476 DRUGNAME Dextromethorphan hydrobromide DR0476 PUBCMCID 5464025 DR0476 TTDRUGID D09OBB DR0476 DFORMULA C18H26BrNO DR0476 INCHIKEY MISZALMBODQYFT-URVXVIKDSA-N DR0476 DRUINCHI 1S/C18H25NO.BrH/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18;/h6-7,12,15,17H,3-5,8-11H2,1-2H3;1H/t15-,17+,18+;/m1./s1 DR0476 CASMILES CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC.Br DR0476 CAS__NUM CAS 125-69-9 DR0478 DRUG__ID DR0478 DR0478 DRUGNAME Dextropropoxyphene DR0478 PUBCMCID 10100 DR0478 TTDRUGID D0D4PB DR0478 DFORMULA C22H29NO2 DR0478 INCHIKEY XLMALTXPSGQGBX-GCJKJVERSA-N DR0478 DRUINCHI 1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22+/m1/s1 DR0478 CASMILES CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C DR0478 CAS__NUM CAS 469-62-5 DR0478 CHEBINUM 51173 DR0478 PUBCMSID 9610; 7979056; 8157284; 15025964; 29228634; 46506690; 48416483; 49896450; 53790711; 56464340; 57325958; 74390898; 96024506; 104239521; 104322376; 134337347; 134975162; 136279476; 136350241; 137003058; 139157528; 162221259; 175267938; 176267062; 179116862; 198954437; 223365928; 226413489; 241078575; 250138664 DR0479 DRUG__ID DR0479 DR0479 DRUGNAME Dexverapamil DR0479 PUBCMCID 65808 DR0479 DFORMULA C27H38N2O4 DR0479 INCHIKEY SGTNSNPWRIOYBX-HHHXNRCGSA-N DR0479 DRUINCHI 1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m1/s1 DR0479 CASMILES CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC DR0479 CAS__NUM CAS 38321-02-7 DR0479 CHEBINUM 77734 DR0480 DRUG__ID DR0480 DR0480 DRUGNAME Diazepam DR0480 PUBCMCID 3016 DR0480 TTDRUGID D07JVL DR0480 DFORMULA C16H13ClN2O DR0480 INCHIKEY AAOVKJBEBIDNHE-UHFFFAOYSA-N DR0480 DRUINCHI 1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3 DR0480 CASMILES CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3 DR0480 CAS__NUM CAS 439-14-5 DR0480 CHEBINUM 49575 DR0480 PUBCMSID 9163; 118340; 442487; 589069; 597369; 866565; 3248698; 5349992; 7847359; 7849643; 7887249; 7945393; 7979063; 8027939; 8150113; 8151919; 10522913; 11336142; 11361381; 11372878; 11374151; 11462353; 11491595; 11492391; 14799843; 24893306; 24894120; 26719642; 29222163; 46386554; 46505210; 47440353; 47515391; 47662377; 48259330; 48413548; 48415873; 48423248; 49742658; 49854346; 50122777; 50660483; 53788455; 56313613; 57321555; 57654125; 81041007; 85788516; 85856297; 92308494 DR0481 DRUG__ID DR0481 DR0481 DRUGNAME Dibutylphthalate DR0481 PUBCMCID 3026 DR0481 TTDRUGID D07FLG DR0481 DFORMULA C16H22O4 DR0481 INCHIKEY DOIRQSBPFJWKBE-UHFFFAOYSA-N DR0481 DRUINCHI 1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3 DR0481 CASMILES CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC DR0481 CAS__NUM CAS 84-74-2 DR0481 CHEBINUM 34687 DR0481 PUBCMSID 72357; 3136603; 5385820; 7847024; 8151925; 10536891; 11341899; 11362082; 11364941; 11367503; 11370065; 11372146; 11374406; 11378236; 11487484; 11490690; 11492529; 11495789; 12080064; 14893324; 17389633; 24849229; 24862745; 24872099; 24874456; 24887522; 24893673; 26613415; 26747249; 26752793; 35229211; 47216915; 48035283; 48414973; 48416908; 48421443; 48421894; 48423261; 48425090; 48425833; 48425834; 49855949; 50105444; 50105445; 50105446; 50549122; 51073991; 53787930; 56311154; 56311155 DR0488 DRUG__ID DR0488 DR0488 DRUGNAME Diclofenac sodium DR0488 PUBCMCID 5018304 DR0488 TTDRUGID D0TG1H DR0488 DFORMULA C14H10Cl2NNaO2 DR0488 INCHIKEY KPHWPUGNDIVLNH-UHFFFAOYSA-M DR0488 DRUINCHI 1S/C14H11Cl2NO2.Na/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1 DR0488 CASMILES C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Na+] DR0488 CAS__NUM CAS 15307-79-6 DR0488 CHEBINUM 4509 DR0490 DRUG__ID DR0490 DR0490 DRUGNAME Dienogest DR0490 PUBCMCID 68861 DR0490 TTDRUGID D04CBI DR0490 DFORMULA C20H25NO2 DR0490 INCHIKEY AZFLJNIPTRTECV-FUMNGEBKSA-N DR0490 DRUINCHI 1S/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20-/m1/s1 DR0490 CASMILES CC12CCC3=C4CCC(=O)C=C4CCC3C1CCC2(CC#N)O DR0490 CAS__NUM CAS 65928-58-7 DR0490 CHEBINUM 70708 DR0490 PUBCMSID 8192399; 12012771; 14752221; 14850078; 17397887; 43125374; 49998342; 50654105; 53787601; 57317112; 71840301; 99005863; 99298842; 99437052; 103097914; 104234372; 104343255; 124757116; 125163920; 126667085; 135026289; 136340223; 137237593; 140148438; 141882083; 151979571; 152036099; 160645957; 162037518; 162201422; 164839922; 175265834; 179150876; 210279188; 210281511; 223365989; 223678058; 224222615; 226423123; 245054716; 252219969; 252308494 DR0492 DRUG__ID DR0492 DR0492 DRUGNAME Diethylstilbestrol DR0492 PUBCMCID 448537 DR0492 TTDRUGID D0Y2NE DR0492 DFORMULA C18H20O2 DR0492 INCHIKEY RGLYKWWBQGJZGM-ISLYRVAYSA-N DR0492 DRUINCHI 1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+ DR0492 CASMILES CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O DR0492 CAS__NUM CAS 56-53-1 DR0492 CHEBINUM 41922 DR0492 PUBCMSID 9822; 69617; 584119; 584187; 832397; 835330; 866308; 3138565; 3719650; 7847643; 7886973; 7979077; 8149301; 10300220; 10321979; 10527511; 11532921; 14848307; 17389919; 24853100; 24869934; 24893887; 26611702; 26679895; 26697273; 26747240; 26747241; 26752777; 36890357; 47213212; 47291097; 47515286; 47588959; 47662244; 47885370; 47959699; 48334454; 48413611; 48415890; 48421868; 48423301; 48425067; 49688699; 49698632; 49854439; 50047747; 50105424; 50105425; 50612427; 53788568 DR0494 DRUG__ID DR0494 DR0494 DRUGNAME Diflunisal DR0494 PUBCMCID 3059 DR0494 TTDRUGID D08LFZ DR0494 DFORMULA C13H8F2O3 DR0494 INCHIKEY HUPFGZXOMWLGNK-UHFFFAOYSA-N DR0494 DRUINCHI 1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) DR0494 CASMILES C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)O DR0494 CAS__NUM CAS 22494-42-4 DR0494 CHEBINUM 39669 DR0494 PUBCMSID 4832; 855794; 3220269; 5635336; 7847198; 7885083; 7979080; 8027938; 8149302; 8151945; 10321268; 10514228; 11112675; 11336113; 11361352; 11363856; 11366418; 11368980; 11371523; 11374224; 11377142; 11462324; 11466067; 11467187; 11484899; 11485794; 11488828; 11490208; 11492328; 11494776; 12013398; 15221177; 24893742; 26611703; 26679788; 26697369; 26746997; 26746998; 29222205; 46507807; 47216844; 47365272; 47440348; 47589066; 47736568; 47810827; 47959840; 48415892; 49698694; 49738138 DR0496 DRUG__ID DR0496 DR0496 DRUGNAME Difluprednate DR0496 PUBCMCID 443936 DR0496 TTDRUGID D01ZOG DR0496 DFORMULA C27H34F2O7 DR0496 INCHIKEY WYQPLTPSGFELIB-JTQPXKBDSA-N DR0496 DRUINCHI 1S/C27H34F2O7/c1-5-6-23(34)36-26(22(33)14-35-15(2)30)10-8-17-18-12-20(28)19-11-16(31)7-9-24(19,3)27(18,29)21(32)13-25(17,26)4/h7,9,11,17-18,20-21,32H,5-6,8,10,12-14H2,1-4H3/t17-,18-,20-,21-,24-,25-,26-,27-/m0/s1 DR0496 CASMILES CCCC(=O)OC1(CCC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C(=O)COC(=O)C DR0496 CAS__NUM CAS 23674-86-4 DR0496 CHEBINUM 31485 DR0496 PUBCMSID 583085; 856020; 7848329; 7979081; 10299429; 14811237; 16650119; 24894018; 36887084; 51530976; 56422387; 56423155; 57404556; 71840218; 91703898; 99443292; 103771485; 104630981; 124799718; 134995746; 137239501; 139999922; 144206181; 160967909; 162184652; 163835796; 164178105; 165235879; 175268498; 179150205; 187051777; 210275696; 210281355; 223441703; 226396555; 252359500 DR0497 DRUG__ID DR0497 DR0497 DRUGNAME Digitoxin DR0497 PUBCMCID 441207 DR0497 TTDRUGID D0M3QP DR0497 DFORMULA C41H64O13 DR0497 INCHIKEY WDJUZGPOPHTGOT-XUDUSOBPSA-N DR0497 DRUINCHI 1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1 DR0497 CASMILES CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)O DR0497 CAS__NUM CAS 71-63-6 DR0497 CHEBINUM 28544 DR0497 PUBCMSID 9170; 3139545; 7847363; 7979082; 10298760; 11533060; 12015761; 14889043; 16335905; 24434759; 24893976; 26754429; 29204037; 36885098; 46506035; 47349645; 48169692; 48318721; 48394206; 48415893; 48496158; 50109842; 50333813; 53787897; 57287891; 57403584; 85300744; 85842716; 87567202; 92298457; 103556970; 104624909; 124573763; 127284350; 127284351; 127303961; 127303962; 127303963; 127303964; 127303965; 127303966; 127303967; 127303968; 127303969; 127303970; 134337444; 134972304; 135377837; 135756584; 137004198 DR0498 DRUG__ID DR0498 DR0498 DRUGNAME Digoxin DR0498 PUBCMCID 2724385 DR0498 TTDRUGID D02OZE DR0498 DFORMULA C41H64O14 DR0498 INCHIKEY LTMHDMANZUZIPE-PUGKRICDSA-N DR0498 DRUINCHI 1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1 DR0498 CASMILES CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)O)O DR0498 CAS__NUM CAS 20830-75-5 DR0498 CHEBINUM 4551 DR0498 PUBCMSID 9171; 3139699; 7847364; 7979083; 8787891; 10321270; 11466465; 11467585; 11486129; 11533002; 14840467; 16531631; 17389540; 24893992; 24894045; 25664046; 26752810; 29204039; 30082596; 46508524; 47277036; 47350829; 47500941; 47871144; 48415894; 48425070; 48493824; 49698492; 49718191; 50105460; 50105461; 56313674; 56422204; 57287890; 57409429; 57654114; 79412392; 85788562; 87568294; 90481132; 92125420; 92298240; 92729949; 93167166; 99431517; 103707689; 103913751; 111366106; 117393920; 121363091 DR0499 DRUG__ID DR0499 DR0499 DRUGNAME Dihydralazine DR0499 PUBCMCID 81764 DR0499 TTDRUGID D0QS1U DR0499 DFORMULA C8H12N6O4S DR0499 INCHIKEY BWHAMWGGORIDBK-UHFFFAOYSA-N DR0499 DRUINCHI 1S/C8H10N6.H2O4S/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7;1-5(2,3)4/h1-4H,9-10H2,(H,11,13)(H,12,14);(H2,1,2,3,4) DR0499 CASMILES C1=CC=C2C(=C1)C(=NN=C2NN)NN.OS(=O)(=O)O DR0499 CAS__NUM CAS 7327-87-9 DR0500 DRUG__ID DR0500 DR0500 DRUGNAME Dihydrocodeine DR0500 PUBCMCID 5284543 DR0500 TTDRUGID D0T6RC DR0500 DFORMULA C18H23NO3 DR0500 INCHIKEY RBOXVHNMENFORY-DNJOTXNNSA-N DR0500 DRUINCHI 1S/C18H23NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1 DR0500 CASMILES CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(CC4)O DR0500 CAS__NUM CAS 125-28-0 DR0500 CHEBINUM 135276 DR0500 PUBCMSID 7979086; 11039338; 14751770; 14922962; 39317861; 46506478; 48415896; 49992976; 57359107; 79356041; 96024528; 123090163; 129105931; 134224170; 134975551; 137225019; 142842435; 143309001; 160964796; 175266000; 179116652; 184595582; 223365929; 224980825; 226412911 DR0504 DRUG__ID DR0504 DR0504 DRUGNAME Dihydroergotamine DR0504 PUBCMCID 10531 DR0504 TTDRUGID D0V3ZA DR0504 DFORMULA C33H37N5O5 DR0504 INCHIKEY LUZRJRNZXALNLM-JGRZULCMSA-N DR0504 DRUINCHI 1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23-,25-,26+,27+,32-,33+/m1/s1 DR0504 CASMILES CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C DR0504 CAS__NUM CAS 6190-39-2 DR0504 CHEBINUM 4562 DR0504 PUBCMSID 10000; 7979087; 8157604; 11335767; 11361006; 11363951; 11366513; 11369075; 11371529; 11374714; 11377237; 11461978; 11484971; 11489004; 11490211; 11492773; 11494871; 14788984; 14935810; 29229015; 46507711; 47291112; 47885391; 48110437; 48334472; 49963030; 49965612; 50153282; 57326281; 85789540; 90341683; 93166278; 96024534; 99313633; 103684622; 103905875; 104137088; 104171355; 104323551; 119501400; 124749650; 124883197; 124883198; 126688923; 127323995; 127323996; 127323997; 127323998; 127323999; 127324000 DR0507 DRUG__ID DR0507 DR0507 DRUGNAME Dihydrostreptomycin DR0507 PUBCMCID 439369 DR0507 DFORMULA C21H41N7O12 DR0507 INCHIKEY ASXBYYWOLISCLQ-HZYVHMACSA-N DR0507 DRUINCHI 1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1 DR0507 CASMILES CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(CO)O DR0507 CAS__NUM CAS 128-46-1 DR0507 CHEBINUM 38291 DR0509 DRUG__ID DR0509 DR0509 DRUGNAME Diltiazem hydrochloride DR0509 PUBCMCID 62920 DR0509 TTDRUGID D0OB1J DR0509 DFORMULA C22H27ClN2O4S DR0509 INCHIKEY HDRXZJPWHTXQRI-BHDTVMLSSA-N DR0509 DRUINCHI 1S/C22H26N2O4S.ClH/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3;/h5-12,20-21H,13-14H2,1-4H3;1H/t20-,21+;/m1./s1 DR0509 CASMILES CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl DR0509 CAS__NUM CAS 33286-22-5 DR0509 CHEBINUM 645509 DR0511 DRUG__ID DR0511 DR0511 DRUGNAME Dinoprostone DR0511 PUBCMCID 5280360 DR0511 TTDRUGID D06FEA DR0511 DFORMULA C20H32O5 DR0511 INCHIKEY XEYBRNLFEZDVAW-ARSRFYASSA-N DR0511 DRUINCHI 1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1 DR0511 CASMILES CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O DR0511 CAS__NUM CAS 363-24-6 DR0511 CHEBINUM 15551 DR0511 PUBCMSID 3863; 439749; 450259; 599053; 803734; 3139923; 3727087; 4265954; 7847147; 7979101; 8143217; 8616235; 10321741; 14778621; 14900948; 24898100; 24898683; 24898775; 26753268; 26753269; 26753270; 26759401; 39289526; 46505549; 47662021; 47810515; 47885164; 48415907; 50026789; 50087222; 50105678; 50105679; 53789659; 56313306; 56314112; 56459056; 57357707; 75054349; 85789494; 85856640; 92298396; 92308753; 92309906; 92722489; 99300820; 99302338; 99431525; 103176817; 104017641; 104046436 DR0514 DRUG__ID DR0514 DR0514 DRUGNAME Diphenhydramine DR0514 PUBCMCID 3100 DR0514 TTDRUGID D01FGR DR0514 DFORMULA C17H21NO DR0514 INCHIKEY ZZVUWRFHKOJYTH-UHFFFAOYSA-N DR0514 DRUINCHI 1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3 DR0514 CASMILES CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 DR0514 CAS__NUM CAS 58-73-1 DR0514 CHEBINUM 4636 DR0514 PUBCMSID 9174; 511392; 608048; 3154507; 5021578; 7847366; 7849634; 7885212; 7979103; 8151972; 10508422; 10528411; 10544720; 11111059; 11111060; 11335543; 11360782; 11363874; 11366436; 11368998; 11371539; 11374238; 11377160; 11407308; 11427137; 11461754; 11466093; 11467213; 11484697; 11485906; 11488777; 11490216; 11492335; 11494794; 14749996; 25768169; 26713829; 26751623; 29222243; 46505484; 47440177; 47588927; 47810670; 47810671; 48035032; 48110379; 48110380; 48184925; 48184926; 48415909 DR0516 DRUG__ID DR0516 DR0516 DRUGNAME Dirithromycin DR0516 PUBCMCID 6473883 DR0516 TTDRUGID D06ZUP DR0516 DFORMULA C42H78N2O14 DR0516 INCHIKEY WLOHNSSYAXHWNR-DWIOZXRMSA-N DR0516 DRUINCHI 1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,30-,31+,32+,33-,34+,35+,36-,37-,39+,40-,41-,42-/m1/s1 DR0516 CASMILES CCC1C(C2C(C(C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)O)(C)O)C)NC(O2)COCCOC)C)(C)O DR0516 CAS__NUM CAS 62013-04-1 DR0516 CHEBINUM 474014 DR0518 DRUG__ID DR0518 DR0518 DRUGNAME Disopyramide phosphate DR0518 PUBCMCID 30928 DR0518 TTDRUGID D0M4YC DR0518 DFORMULA C21H32N3O5P DR0518 INCHIKEY CGDDQFMPGMYYQP-UHFFFAOYSA-N DR0518 DRUINCHI 1S/C21H29N3O.H3O4P/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19;1-5(2,3)4/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25);(H3,1,2,3,4) DR0518 CASMILES CC(C)N(CCC(C1=CC=CC=C1)(C2=CC=CC=N2)C(=O)N)C(C)C.OP(=O)(O)O DR0518 CAS__NUM CAS 22059-60-5 DR0518 CHEBINUM 4658 DR0519 DRUG__ID DR0519 DR0519 DRUGNAME Disulfiram DR0519 PUBCMCID 3117 DR0519 TTDRUGID D0X5SD DR0519 DFORMULA C10H20N2S4 DR0519 INCHIKEY AUZONCFQVSMFAP-UHFFFAOYSA-N DR0519 DRUINCHI 1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3 DR0519 CASMILES CCN(CC)C(=S)SSC(=S)N(CC)CC DR0519 CAS__NUM CAS 97-77-8 DR0519 CHEBINUM 4659 DR0519 PUBCMSID 4833; 86944; 604564; 841760; 3134612; 7343344; 7847199; 8151985; 10321282; 10538921; 11111859; 11111860; 11363904; 11366466; 11369028; 11371250; 11374034; 11377190; 11466125; 11467245; 11484927; 11485729; 11488992; 11490221; 11492043; 11494824; 11533044; 11533307; 14720391; 14751553; 17405720; 22390447; 22391499; 24278722; 24888757; 26611716; 26680072; 26719650; 26747681; 26747682; 26753660; 26753661; 29222259; 46386898; 46487911; 46506008; 47216881; 47736606; 47810875; 48110561 DR0520 DRUG__ID DR0520 DR0520 DRUGNAME Docetaxel DR0520 PUBCMCID 148124 DR0520 TTDRUGID D0O5WP DR0520 DFORMULA C43H53NO14 DR0520 INCHIKEY ZDZOTLJHXYCWBA-VCVYQWHSSA-N DR0520 DRUINCHI 1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1 DR0520 CASMILES CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O DR0520 CAS__NUM CAS 114977-28-5 DR0520 CHEBINUM 4672 DR0520 PUBCMSID 13410; 494081; 822539; 833094; 7890914; 7979114; 10249812; 12014196; 14791415; 14815974; 17424977; 24845209; 26683886; 46225079; 46506766; 53790583; 56310805; 56310954; 56311107; 56311313; 56311574; 56312625; 56312880; 56312940; 56312941; 56313207; 56313989; 56314033; 56314070; 56314178; 56314280; 57346703; 78743198; 81044598; 87678200; 92308884; 92711403; 96024562; 99319097; 103172104; 104418276; 117664410; 117682515; 124950708; 126606827; 126630894; 126657365; 134337881; 136340291; 136375539 DR0521 DRUG__ID DR0521 DR0521 DRUGNAME SC-411 DR0521 PUBCMCID 445580 DR0521 TTDRUGID D0Q5XX DR0521 DFORMULA C22H32O2 DR0521 INCHIKEY MBMBGCFOFBJSGT-KUBAVDMBSA-N DR0521 DRUINCHI 1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18- DR0521 CASMILES CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O DR0521 CAS__NUM CAS 6217-54-5 DR0521 CHEBINUM 28125 DR0521 PUBCMSID 8664; 839059; 841847; 7850049; 8144392; 10299728; 14924254; 24893696; 26754926; 26754927; 26754928; 36888254; 46391883; 47515089; 47515090; 47885165; 48184752; 50110834; 50110835; 57404690; 75281905; 81063745; 85787686; 87568664; 91695933; 92165132; 92298371; 92309714; 92719165; 99300628; 99302146; 103445456; 104046523; 104086818; 104179148; 104634620; 118048648; 126524415; 126621028; 126655302; 134350834; 135028589; 135651477; 137003172; 142339426; 144205545; 152101578; 162180738; 162227670; 163659264 DR0522 DRUG__ID DR0522 DR0522 DRUGNAME Dofetilide DR0522 PUBCMCID 71329 DR0522 TTDRUGID D0NW3X DR0522 DFORMULA C19H27N3O5S2 DR0522 INCHIKEY IXTMWRCNAAVVAI-UHFFFAOYSA-N DR0522 DRUINCHI 1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3 DR0522 CASMILES CN(CCC1=CC=C(C=C1)NS(=O)(=O)C)CCOC2=CC=C(C=C2)NS(=O)(=O)C DR0522 CAS__NUM CAS 115256-11-6 DR0522 CHEBINUM 4681 DR0522 PUBCMSID 9953; 6866968; 7847713; 7979117; 8194566; 11528674; 12014163; 14832836; 26719840; 26757968; 43127674; 46386638; 46509127; 49681772; 49830467; 50139453; 50845418; 57318136; 81041120; 87350381; 92308504; 92308779; 92719410; 103168841; 103940282; 104253292; 104350198; 117632008; 119526323; 121361247; 124659024; 124757413; 124800159; 125001905; 125164217; 125338634; 126620831; 126658284; 126670949; 128235810; 131295440; 131542548; 134337788; 135028787; 135650201; 135692215; 136946393; 137005478; 140086817; 144115915 DR0524 DRUG__ID DR0524 DR0524 DRUGNAME Dolasetron mesylate DR0524 PUBCMCID 6918119 DR0524 TTDRUGID D00YLW DR0524 DFORMULA C20H26N2O7S DR0524 INCHIKEY QTFFGPOXNNGTGZ-RCSCTSIBSA-N DR0524 DRUINCHI 1S/C19H20N2O3.CH4O3S.H2O/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17;1-5(2,3)4;/h1-4,9,11-14,20H,5-8,10H2;1H3,(H,2,3,4);1H2/t11?,12-,13+,14?;; DR0524 CASMILES CS(=O)(=O)O.C1C2CC3CC(CC1N3CC2=O)OC(=O)C4=CNC5=CC=CC=C54.O DR0524 CAS__NUM CAS 115956-13-3 DR0526 DRUG__ID DR0526 DR0526 DRUGNAME Dolutegravir sodium DR0526 PUBCMCID 46216142 DR0526 TTDRUGID D00YZD DR0526 DFORMULA C20H18F2N3NaO5 DR0526 INCHIKEY UGWJRRXTMKRYNK-VSLILLSYSA-M DR0526 DRUINCHI 1S/C20H19F2N3O5.Na/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22;/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28);/q;+1/p-1/t10-,15+;/m1./s1 DR0526 CASMILES CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)[O-].[Na+] DR0526 CAS__NUM CAS 1051375-19-9 DR0526 CHEBINUM 76007 DR0527 DRUG__ID DR0527 DR0527 DRUGNAME KW-5338 DR0527 PUBCMCID 3151 DR0527 TTDRUGID D0AV3G DR0527 DFORMULA C22H24ClN5O2 DR0527 INCHIKEY FGXWKSZFVQUSTL-UHFFFAOYSA-N DR0527 DRUINCHI 1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30) DR0527 CASMILES C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O DR0527 CAS__NUM CAS 57808-66-9 DR0527 CHEBINUM 31515 DR0527 PUBCMSID 147912; 855562; 4254117; 4396595; 7848808; 7979120; 8141008; 8152006; 10320029; 10321742; 11111029; 11342096; 11362279; 11363285; 11365847; 11368409; 11373493; 11376571; 11406905; 11459105; 11461219; 11466489; 11467609; 11486237; 11487681; 11491902; 11494205; 12013334; 14856268; 17404990; 24277911; 26613181; 26653336; 26746912; 26746913; 26751449; 29222293; 46500486; 46508314; 47216928; 47291272; 47291273; 47959936; 48334655; 48334656; 48334657; 49698821; 49883248; 50085997; 50103922 DR0530 DRUG__ID DR0530 DR0530 DRUGNAME Donepezil hydrochloride DR0530 PUBCMCID 5741 DR0530 TTDRUGID D0NS6H DR0530 DFORMULA C24H30ClNO3 DR0530 INCHIKEY XWAIAVWHZJNZQQ-UHFFFAOYSA-N DR0530 DRUINCHI 1S/C24H29NO3.ClH/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18;/h3-7,14-15,17,20H,8-13,16H2,1-2H3;1H DR0530 CASMILES COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC.Cl DR0530 CAS__NUM CAS 120011-70-3 DR0530 CHEBINUM 4696 DR0532 DRUG__ID DR0532 DR0532 DRUGNAME Dopamine hydrochloride DR0532 PUBCMCID 65340 DR0532 TTDRUGID D0T7OW DR0532 DFORMULA C8H12ClNO2 DR0532 INCHIKEY CTENFNNZBMHDDG-UHFFFAOYSA-N DR0532 DRUINCHI 1S/C8H11NO2.ClH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H DR0532 CASMILES C1=CC(=C(C=C1CCN)O)O.Cl DR0532 CAS__NUM CAS 62-31-7 DR0532 CHEBINUM 4698 DR0533 DRUG__ID DR0533 DR0533 DRUGNAME Doravirine DR0533 PUBCMCID 58460047 DR0533 TTDRUGID D0R0TS DR0533 DFORMULA C17H11ClF3N5O3 DR0533 INCHIKEY ZIAOVIPSKUPPQW-UHFFFAOYSA-N DR0533 DRUINCHI 1S/C17H11ClF3N5O3/c1-25-13(23-24-16(25)28)8-26-3-2-12(17(19,20)21)14(15(26)27)29-11-5-9(7-22)4-10(18)6-11/h2-6H,8H2,1H3,(H,24,28) DR0533 CASMILES CN1C(=NNC1=O)CN2C=CC(=C(C2=O)OC3=CC(=CC(=C3)C#N)Cl)C(F)(F)F DR0533 CAS__NUM CAS 1338225-97-0 DR0533 PUBCMSID 138785402; 162109074; 163370732; 163662251; 164147214; 172132099; 198985579; 224534916; 228614684 DR0534 DRUG__ID DR0534 DR0534 DRUGNAME Doripenem DR0534 PUBCMCID 73303 DR0534 TTDRUGID D03QWT DR0534 DFORMULA C15H24N4O6S2 DR0534 INCHIKEY AVAACINZEOAHHE-VFZPANTDSA-N DR0534 DRUINCHI 1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1 DR0534 CASMILES CC1C2C(C(=O)N2C(=C1SC3CC(NC3)CNS(=O)(=O)N)C(=O)O)C(C)O DR0534 CAS__NUM CAS 148016-81-3 DR0534 CHEBINUM 135928 DR0534 PUBCMSID 8195661; 14782518; 14904822; 17397979; 43129277; 50112763; 57319033; 78931074; 99299161; 103596434; 104354952; 118047125; 126665586; 134339262; 135030316; 136367963; 137103545; 140972593; 144115919; 144206061; 152057781; 152344294; 164824831; 170465085; 174527594; 175266776; 175437740; 179117027; 184547713; 210279313; 210281636; 223556613; 223659794; 226423250; 241037251; 242439235; 249358056; 249583208; 249822520; 251963975; 251970995; 252215304; 252348782 DR0536 DRUG__ID DR0536 DR0536 DRUGNAME Dorzolamide hydrochloride DR0536 PUBCMCID 6918132 DR0536 TTDRUGID D05UYW DR0536 DFORMULA C10H17ClN2O4S3 DR0536 INCHIKEY OSRUSFPMRGDLAG-QMGYSKNISA-N DR0536 DRUINCHI 1S/C10H16N2O4S3.ClH/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16;/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16);1H/t6-,8-;/m0./s1 DR0536 CASMILES CCNC1CC(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C.Cl DR0536 CAS__NUM CAS 130693-82-2 DR0536 CHEBINUM 4703 DR0538 DRUG__ID DR0538 DR0538 DRUGNAME Dotarizine DR0538 PUBCMCID 55285 DR0538 TTDRUGID D05SSJ DR0538 DFORMULA C29H34N2O2 DR0538 INCHIKEY LRMJAFKKJLRDLE-UHFFFAOYSA-N DR0538 DRUINCHI 1S/C29H34N2O2/c1-4-11-25(12-5-1)28(26-13-6-2-7-14-26)31-21-19-30(20-22-31)18-10-17-29(32-23-24-33-29)27-15-8-3-9-16-27/h1-9,11-16,28H,10,17-24H2 DR0538 CASMILES C1CN(CCN1CCCC2(OCCO2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5 DR0538 CAS__NUM CAS 84625-59-2 DR0538 CHEBINUM 138033 DR0539 DRUG__ID DR0539 DR0539 DRUGNAME NSC-172130 DR0539 PUBCMCID 9884029 DR0539 DFORMULA C19H22ClNS DR0539 INCHIKEY XUPZAARQDNSRJB-SJDTYFKWSA-N DR0539 DRUINCHI 1S/C19H21NS.ClH/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19;/h3-6,8-12H,7,13-14H2,1-2H3;1H/b17-11+; DR0539 CASMILES CN(C)CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31.Cl DR0539 CAS__NUM CAS 897-15-4 DR0539 CHEBINUM 36805 DR0541 DRUG__ID DR0541 DR0541 DRUGNAME Doxapram hydrochloride DR0541 PUBCMCID 64647 DR0541 TTDRUGID D0M7BT DR0541 DFORMULA C24H31ClN2O2 DR0541 INCHIKEY MBGXILHMHYLZJT-UHFFFAOYSA-N DR0541 DRUINCHI 1S/C24H30N2O2.ClH/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21;/h3-12,22H,2,13-19H2,1H3;1H DR0541 CASMILES CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4.Cl DR0541 CAS__NUM CAS 113-07-5 DR0541 CHEBINUM 59837 DR0542 DRUG__ID DR0542 DR0542 DRUGNAME Doxazosin DR0542 PUBCMCID 3157 DR0542 TTDRUGID D03MIR DR0542 DFORMULA C23H25N5O5 DR0542 INCHIKEY RUZYUOTYCVRMRZ-UHFFFAOYSA-N DR0542 DRUINCHI 1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26) DR0542 CASMILES COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)N)OC DR0542 CAS__NUM CAS 74191-85-8 DR0542 CHEBINUM 4708 DR0542 PUBCMSID 9184; 4407398; 7979127; 8152011; 11222167; 11466886; 11468006; 11486532; 14784191; 24278398; 29222299; 46506825; 47298998; 47298999; 47299000; 47670375; 47744452; 47744453; 47818609; 48415923; 49698667; 50011218; 50105246; 50308562; 56311128; 56311129; 56313874; 56464101; 57321640; 85209457; 85787347; 90341261; 90342475; 92241035; 92309056; 92710466; 96024570; 103194429; 103930616; 104170183; 104302690; 106228658; 117488203; 117498461; 121362602; 124671348; 124883381; 124883382; 124883384; 125357054 DR0544 DRUG__ID DR0544 DR0544 DRUGNAME Doxepin hydrochloride DR0544 PUBCMCID 6419921 DR0544 TTDRUGID D06FES DR0544 DFORMULA C19H22ClNO DR0544 INCHIKEY MHNSPTUQQIYJOT-SJDTYFKWSA-N DR0544 DRUINCHI 1S/C19H21NO.ClH/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19;/h3-6,8-12H,7,13-14H2,1-2H3;1H/b17-11+; DR0544 CASMILES CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31.Cl DR0544 CAS__NUM CAS 1229-29-4 DR0544 CHEBINUM 4711 DR0545 DRUG__ID DR0545 DR0545 DRUGNAME Doxofylline DR0545 PUBCMCID 50942 DR0545 TTDRUGID D07NCN DR0545 DFORMULA C11H14N4O4 DR0545 INCHIKEY HWXIGFIVGWUZAO-UHFFFAOYSA-N DR0545 DRUINCHI 1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3 DR0545 CASMILES CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3OCCO3 DR0545 CAS__NUM CAS 69975-86-6 DR0545 CHEBINUM 94714 DR0545 PUBCMSID 866499; 7210458; 8181836; 12013168; 15221716; 17397982; 25623634; 29215238; 34715439; 48415927; 49645880; 50050457; 57313319; 74779428; 85175651; 85210461; 90452215; 92309080; 92717650; 99246784; 104295990; 117852472; 124966244; 125174241; 125326919; 125356401; 126592892; 126628779; 126668288; 128124885; 131324117; 131818219; 134224673; 135010488; 137008364; 142971085; 144076123; 144205130; 162177282; 162216000; 164178172; 164814587; 169750960; 170466312; 175610933; 176484342; 179150964; 184547714; 198936110; 223454617 DR0546 DRUG__ID DR0546 DR0546 DRUGNAME Doxorubicin DR0546 PUBCMCID 31703 DR0546 TTDRUGID D07VLY DR0546 DFORMULA C27H29NO11 DR0546 INCHIKEY AOJJSUZBOXZQNB-TZSSRYMLSA-N DR0546 DRUINCHI 1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1 DR0546 CASMILES CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O DR0546 CAS__NUM CAS 23214-92-8 DR0546 CHEBINUM 28748 DR0546 PUBCMSID 4809; 596007; 7887074; 7979129; 8172352; 11466466; 11467586; 11486131; 11533222; 11538021; 14910387; 14910388; 17397983; 24769891; 26704333; 26709766; 34673809; 46507641; 47440542; 47515588; 47589229; 47736754; 47811027; 47811028; 48035406; 48185239; 48414671; 48415928; 49698493; 49846798; 49855190; 50063935; 53787595; 53837797; 56310844; 56311108; 56311939; 56312034; 56312063; 56312270; 56312524; 56312768; 56313130; 56313308; 56313325; 56313365; 56313675; 56313990; 56314080; 56314176 DR0547 DRUG__ID DR0547 DR0547 DRUGNAME Doxycycline DR0547 PUBCMCID 54671203 DR0547 TTDRUGID D0S0LZ DR0547 DFORMULA C22H24N2O8 DR0547 INCHIKEY SGKRLCUYIXIAHR-AKNGSSGZSA-N DR0547 DRUINCHI 1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1 DR0547 CASMILES CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O DR0547 CAS__NUM CAS 564-25-0 DR0547 CHEBINUM 50845 DR0547 PUBCMSID 9187; 596105; 7979130; 11335520; 11360759; 11363701; 11366263; 11368825; 11371256; 11374272;11376987; 11461731; 11483982; 11487959; 11490224; 11492342; 11494621; 14759559; 14881664; 22391429; 26755247; 29279579; 39289952; 39460532; 46171207; 46487965; 46506491; 47216696; 47440169; 47810665;47885321; 47885322; 47959651; 49994878; 50071302; 50110882; 53787282; 56310727; 56310911; 56310919; 56311074; 56311250; 56311566; 56311567; 56311897; 56311928; 56312054; 56312284; 56312312; 56312315 DR0548 DRUG__ID DR0548 DR0548 DRUGNAME Dronabinol DR0548 PUBCMCID 16078 DR0548 TTDRUGID D0P1FO DR0548 DFORMULA C21H30O2 DR0548 INCHIKEY CYQFCXCEBYINGO-IAGOWNOFSA-N DR0548 DRUINCHI 1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1 DR0548 CASMILES CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1)O DR0548 CAS__NUM CAS 1972-08-3 DR0548 CHEBINUM 66964 DR0548 PUBCMSID 9186; 423124; 590069; 841255; 7847372; 7980767; 8162055; 12013925; 14776764; 14899056; 24900035; 24900224; 29283967; 46508472; 47289005; 48414516; 48422188; 49681167; 49855137; 53790103; 56311071; 56365468; 57288574; 57329243; 57654672; 68530527; 78512325; 93166585; 103167825; 103920666; 104338871; 113635228; 117426979; 127309746; 127309747; 127309748; 127309749; 127309750; 127309751; 127309752; 127309753; 127340561; 127340562; 127340563; 127340564; 127344438; 127696830; 134337522; 134339937; 134982169 DR0550 DRUG__ID DR0550 DR0550 DRUGNAME Dronedarone hydrochloride DR0550 PUBCMCID 219025 DR0550 TTDRUGID D05CPV DR0550 DFORMULA C31H45ClN2O5S DR0550 INCHIKEY DWKVCQXJYURSIQ-UHFFFAOYSA-N DR0550 DRUINCHI 1S/C31H44N2O5S.ClH/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3;/h13-18,23,32H,5-12,19-22H2,1-4H3;1H DR0550 CASMILES CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC.Cl DR0550 CAS__NUM CAS 141625-93-6 DR0551 DRUG__ID DR0551 DR0551 DRUGNAME Drospirenone DR0551 PUBCMCID 68873 DR0551 TTDRUGID D0Z4ZT DR0551 DFORMULA C24H30O3 DR0551 INCHIKEY METQSPRSQINEEU-HXCATZOESA-N DR0551 DRUINCHI 1S/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+/m1/s1 DR0551 CASMILES CC12CCC(=O)C=C1C3CC3C4C2CCC5(C4C6CC6C57CCC(=O)O7)C DR0551 CAS__NUM CAS 67392-87-4 DR0551 CHEBINUM 50838 DR0551 PUBCMSID 8192410; 12014580; 14828605; 14828606; 43125386; 46507653; 47205906; 50047046; 53786814; 56352945; 57317123; 71824971; 76786916; 99437122; 103558411; 104343291; 124757204; 125164008; 126669927; 134338446; 135026678; 135650211; 135692124; 136096480; 136367961; 137005552; 141721609; 143493317; 144115924; 144205769; 152034656; 152233275; 152343982; 160964668; 162176923; 164757002; 170464870; 172089115; 174549055; 175267473; 176484977; 179150909; 184552367; 198991367; 210279219; 210281542; 223678437; 224322273; 226517963; 251915642 DR0552 DRUG__ID DR0552 DR0552 DRUGNAME Droxidopa DR0552 PUBCMCID 92974 DR0552 TTDRUGID D0I3RO DR0552 DFORMULA C9H11NO5 DR0552 INCHIKEY QXWYKJLNLSIPIN-JGVFFNPUSA-N DR0552 DRUINCHI 1S/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8+/m0/s1 DR0552 CASMILES C1=CC(=C(C=C1C(C(C(=O)O)N)O)O)O DR0552 CAS__NUM CAS 23651-95-8 DR0552 CHEBINUM 31524 DR0552 PUBCMSID 7848340; 10225708; 12013905; 14748940; 15220262; 44423747; 50045941; 50370475; 57335461; 103851036; 104408862; 117541347; 118311826; 126654108; 134995608; 135050567; 137323634; 138163335; 152029318; 160692469; 160824963; 162009751; 162228197; 163092402; 163384817; 163773158; 163883713; 172855924; 175612534; 178103963; 179150202; 196106149; 198948648; 204433783; 210274860; 210280493; 223441551; 226502358; 241076804; 242660130; 249492214; 252348725; 252418289 DR0554 DRUG__ID DR0554 DR0554 DRUGNAME Duloxetine hydrochloride DR0554 PUBCMCID 60834 DR0554 TTDRUGID D01AXB DR0554 DFORMULA C18H20ClNOS DR0554 INCHIKEY BFFSMCNJSOPUAY-LMOVPXPDSA-N DR0554 DRUINCHI 1S/C18H19NOS.ClH/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16;/h2-10,13,17,19H,11-12H2,1H3;1H/t17-;/m0./s1 DR0554 CASMILES CNCCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32.Cl DR0554 CAS__NUM CAS 136434-34-9 DR0554 CHEBINUM 31526 DR0555 DRUG__ID DR0555 DR0555 DRUGNAME Dutasteride DR0555 PUBCMCID 6918296 DR0555 TTDRUGID D0A9YA DR0555 DFORMULA C27H30F6N2O2 DR0555 INCHIKEY JWJOTENAMICLJG-QWBYCMEYSA-N DR0555 DRUINCHI 1S/C27H30F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36)/t15-,16-,17-,19+,21+,24-,25+/m0/s1 DR0555 CASMILES CC12CCC3C(C1CCC2C(=O)NC4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F)CCC5C3(C=CC(=O)N5)C DR0555 CAS__NUM CAS 164656-23-9 DR0555 CHEBINUM 521033 DR0555 PUBCMSID 12014955; 14836607; 14909902; 17194796; 17397907; 43529678; 46504830; 53787436; 57371871; 71824992; 79317270; 81092907; 85709776; 91145910; 91612910; 99437024; 103770952; 104179082; 114787740; 118046363; 124757077; 125163881; 125311722; 126596711; 131343417; 135109202; 135684130; 136183917; 136367959; 136375517; 136980377; 137005555; 137181708; 142643797; 144115926; 144205752; 152059555; 152063850; 162036214; 162175331; 163797282; 165698504; 172093501; 174477509; 174527666; 175265390; 176484953; 179150039; 187051760; 210274902 DR0556 DRUG__ID DR0556 DR0556 DRUGNAME Dydrogesterone DR0556 PUBCMCID 9051 DR0556 TTDRUGID D0F1UL DR0556 DFORMULA C21H28O2 DR0556 INCHIKEY JGMOKGBVKVMRFX-HQZYFCCVSA-N DR0556 DRUINCHI 1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19+,20+,21+/m0/s1 DR0556 CASMILES CC(=O)C1CCC2C1(CCC3C2C=CC4=CC(=O)CCC34C)C DR0556 CAS__NUM CAS 152-62-5 DR0556 CHEBINUM 31527 DR0556 PUBCMSID 398384; 7848280; 7979141; 8156439; 11466699; 11467819; 11486418; 14898944; 15444771; 29227669; 46506195; 47365375; 47736654; 47736655; 48259427; 48415933; 49699132; 50019401; 50124160; 50751954; 53787025; 56394852; 56463092; 57325399; 71822875; 85788500; 87325136; 92125727; 103770836; 103914481;104319423; 121363398; 124799336; 126653040; 126667084; 128271591; 134338445; 134973758; 135650214; 137005553; 139642162; 144203980; 152034951; 160963725; 162177763; 164178107; 170465104; 175611963; 179149345; 184546093 DR0557 DRUG__ID DR0557 DR0557 DRUGNAME Ebastine DR0557 PUBCMCID 3191 DR0557 DFORMULA C32H39NO2 DR0557 INCHIKEY MJJALKDDGIKVBE-UHFFFAOYSA-N DR0557 DRUINCHI 1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3 DR0557 CASMILES CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4 DR0557 CAS__NUM CAS 90729-43-4 DR0557 CHEBINUM 31528 DR0558 DRUG__ID DR0558 DR0558 DRUGNAME Edoxaban DR0558 PUBCMCID 10280735 DR0558 TTDRUGID D0C3BS DR0558 DFORMULA C24H30ClN7O4S DR0558 INCHIKEY HGVDHZBSSITLCT-JLJPHGGASA-N DR0558 DRUINCHI 1S/C24H30ClN7O4S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34)/t13-,15-,17+/m0/s1 DR0558 CASMILES CN1CCC2=C(C1)SC(=N2)C(=O)NC3CC(CCC3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C DR0558 CAS__NUM CAS 912273-65-5 DR0558 CHEBINUM 85973 DR0558 PUBCMSID 15285745; 22657909; 35552742; 75383420; 109693269; 123092995; 123107846; 124490450; 135263753; 141477305; 152343994; 162198449; 163409416; 163620696; 163686010; 163909302; 170502825; 172096222; 172121849; 185988955; 198981897; 198992538; 223365911; 223397933; 223922733; 226666786; 249273064; 249736672; 249865853; 252090008; 252150280; 252451702; 252552142 DR0560 DRUG__ID DR0560 DR0560 DRUGNAME Efavirenz DR0560 PUBCMCID 64139 DR0560 TTDRUGID D07HVY DR0560 DFORMULA C14H9ClF3NO2 DR0560 INCHIKEY XPOQHMRABVBWPR-ZDUSSCGKSA-N DR0560 DRUINCHI 1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1 DR0560 CASMILES C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F DR0560 CAS__NUM CAS 154598-52-4 DR0560 CHEBINUM 119486 DR0560 PUBCMSID 10288; 615076; 644086; 819805; 819816; 822777; 822778; 823557; 2102933; 7847960; 7887287; 7979148; 8032270; 8189153; 12014858; 14850291; 26719858; 43121048; 46386724; 46392227; 46392228; 46506827; 49681705; 50064506; 53788925; 57315036; 78192089; 87350529; 91146581; 92308418; 92309272; 92717165; 93166541; 99444180; 104234240; 104330198; 118313744; 124658998; 126592964; 126608811; 126622440; 126654055; 129722732; 131300250; 134337998; 135022248; 136367956; 136903808; 137005170; 137229934 DR0561 DRUG__ID DR0561 DR0561 DRUGNAME Elbasvir DR0561 PUBCMCID 71661251 DR0561 DFORMULA C49H55N9O7 DR0561 INCHIKEY BVAZQCUMNICBAQ-PZHYSIFUSA-N DR0561 DRUINCHI 1S/C49H55N9O7/c1-27(2)41(54-48(61)63-5)45(59)56-20-10-14-37(56)43-50-25-34(52-43)30-17-19-36-32(22-30)23-39-33-18-16-31(24-40(33)65-47(58(36)39)29-12-8-7-9-13-29)35-26-51-44(53-35)38-15-11-21-57(38)46(60)42(28(3)4)55-49(62)64-6/h7-9,12-13,16-19,22-28,37-38,41-42,47H,10-11,14-15,20-21H2,1-6H3,(H,50,52)(H,51,53)(H,54,61)(H,55,62)/t37-,38-,41-,42-,47-/m0/s1 DR0561 CASMILES CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC4=C(C=C3)N5C(OC6=C(C5=C4)C=CC(=C6)C7=CN=C(N7)C8CCCN8C(=O)C(C(C)C)NC(=O)OC)C9=CC=CC=C9)NC(=O)OC DR0561 CAS__NUM CAS 1370468-36-2 DR0561 CHEBINUM 132967 DR0562 DRUG__ID DR0562 DR0562 DRUGNAME ED-71 DR0562 PUBCMCID 6918141 DR0562 DFORMULA C30H50O5 DR0562 INCHIKEY FZEXGDDBXLBRTD-AYIMTCTASA-N DR0562 DRUINCHI 1S/C30H50O5/c1-20(9-6-15-29(3,4)34)24-13-14-25-22(10-7-16-30(24,25)5)11-12-23-19-26(32)28(27(33)21(23)2)35-18-8-17-31/h11-12,20,24-28,31-34H,2,6-10,13-19H2,1,3-5H3/b22-11+,23-12-/t20-,24-,25+,26-,27-,28-,30-/m1/s1 DR0562 CASMILES CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(C(C(C3=C)O)OCCCO)O)C DR0562 CAS__NUM CAS 104121-92-8 DR0562 CHEBINUM 73927 DR0564 DRUG__ID DR0564 DR0564 DRUGNAME Eletriptan hydrobromide DR0564 PUBCMCID 656631 DR0564 TTDRUGID D02DMQ DR0564 DFORMULA C22H27BrN2O2S DR0564 INCHIKEY UTINOWOSWSPFLJ-FSRHSHDFSA-N DR0564 DRUINCHI 1S/C22H26N2O2S.BrH/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20;/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3;1H/t19-;/m1./s1 DR0564 CASMILES CN1CCCC1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4.Br DR0564 CAS__NUM CAS 177834-92-3 DR0564 CHEBINUM 61176 DR0567 DRUG__ID DR0567 DR0567 DRUGNAME Eliglustat tartrate DR0567 PUBCMCID 52918379 DR0567 TTDRUGID D0J8IJ DR0567 DFORMULA C50H78N4O14 DR0567 INCHIKEY KUBARPMUNHKBIQ-VTHUDJRQSA-N DR0567 DRUINCHI 1S/2C23H36N2O4.C4H6O6/c2*1-2-3-4-5-6-9-22(26)24-19(17-25-12-7-8-13-25)23(27)18-10-11-20-21(16-18)29-15-14-28-20;5-1(3(7)8)2(6)4(9)10/h2*10-11,16,19,23,27H,2-9,12-15,17H2,1H3,(H,24,26);1-2,5-6H,(H,7,8)(H,9,10)/t2*19-,23-;1-,2-/m111/s1 DR0567 CASMILES CCCCCCCC(=O)NC(CN1CCCC1)C(C2=CC3=C(C=C2)OCCO3)O.CCCCCCCC(=O)NC(CN1CCCC1)C(C2=CC3=C(C=C2)OCCO3)O.C(C(C(=O)O)O)(C(=O)O)O DR0567 CAS__NUM CAS 104138-64-9 DR0567 CHEBINUM 83353 DR0567 PUBCMSID 123055388; 135264656; 135626643; 198956158; 210024103; 223447916 DR0569 DRUG__ID DR0569 DR0569 DRUGNAME Eltrombopag olamine DR0569 PUBCMCID 135449331 DR0569 TTDRUGID D00PEH DR0569 DFORMULA C29H36N6O6 DR0569 INCHIKEY DJMJHIKGMVJYCW-UHFFFAOYSA-N DR0569 DRUINCHI 1S/C25H22N4O4.2C2H7NO/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33;2*3-1-2-4/h4-13,28,30H,1-3H3,(H,32,33);2*4H,1-3H2 DR0569 CASMILES CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C)N=NC3=CC=CC(=C3O)C4=CC(=CC=C4)C(=O)O)C.C(CO)N.C(CO)N DR0569 CAS__NUM CAS 496775-62-3 DR0570 DRUG__ID DR0570 DR0570 DRUGNAME Elvitegravir DR0570 PUBCMCID 5277135 DR0570 TTDRUGID D0QD1G DR0570 DFORMULA C23H23ClFNO5 DR0570 INCHIKEY JUZYLCPPVHEVSV-LJQANCHMSA-N DR0570 DRUINCHI 1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1 DR0570 CASMILES CC(C)C(CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O DR0570 CAS__NUM CAS 697761-98-1 DR0570 CHEBINUM 72289 DR0570 PUBCMSID 7843482; 8615111; 12015964; 16816905; 39286528; 57357690; 78878548; 87457715; 87457725; 99436935; 103481427; 104067806; 113844313; 124757574; 125164378; 134964404; 135269865; 136348707; 136367562; 136367953; 137006544; 139530791; 143498895; 144115938; 152237703; 152258597; 152344346; 160647432; 160962968; 162011862; 162037756; 162201766; 164198365; 172096660; 174007151; 174530418; 175266793; 176484884; 177748762; 180387581; 188899508; 198992862; 208265476; 223400590; 223705173; 223723295; 224244595; 227014509; 247090214; 249814482 DR0571 DRUG__ID DR0571 DR0571 DRUGNAME Q-100155 DR0571 PUBCMCID 6603320 DR0571 TTDRUGID D07DJQ DR0571 DFORMULA C29H41ClN2O4 DR0571 INCHIKEY HUEYSSLYFJVUIS-MRFSYGAJSA-N DR0571 DRUINCHI 1S/C29H40N2O4.ClH/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;1H/t18-,21-,24+,25-;/m0./s1 DR0571 CASMILES CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.Cl DR0571 CAS__NUM CAS 14198-59-5 DR0572 DRUG__ID DR0572 DR0572 DRUGNAME Emopamil DR0572 PUBCMCID 71225 DR0572 TTDRUGID D05KRC DR0572 DFORMULA C23H30N2 DR0572 INCHIKEY DWAWDSVKAUWFHC-UHFFFAOYSA-N DR0572 DRUINCHI 1S/C23H30N2/c1-20(2)23(19-24,22-13-8-5-9-14-22)16-10-17-25(3)18-15-21-11-6-4-7-12-21/h4-9,11-14,20H,10,15-18H2,1-3H3 DR0572 CASMILES CC(C)C(CCCN(C)CCC1=CC=CC=C1)(C#N)C2=CC=CC=C2 DR0572 CAS__NUM CAS 78370-13-5 DR0572 CHEBINUM 34736 DR0573 DRUG__ID DR0573 DR0573 DRUGNAME Enalapril DR0573 PUBCMCID 5388962 DR0573 TTDRUGID D00SEB DR0573 DFORMULA C20H28N2O5 DR0573 INCHIKEY GBXSMTUPTTWBMN-XIRDDKMYSA-N DR0573 DRUINCHI 1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1 DR0573 CASMILES CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)O DR0573 CAS__NUM CAS 75847-73-3 DR0573 CHEBINUM 4784 DR0573 PUBCMSID 9191; 7979157; 11112847; 11335583; 11360822; 11364201; 11366763; 11369325; 11372634; 11373494; 11377487; 11461794; 11485085; 11489271; 11491293; 11491823; 11495121; 14779899; 14877707; 17185069; 29214998; 39404326; 46507920; 47365119; 47588933; 47588934; 47810682; 48110391; 48184936; 48415941; 49698433; 50073899; 50103938; 50103939; 53787340; 57362754; 75931775; 89736144; 92309084; 93166909; 96024588; 99313640; 103179319; 103928457; 113955320; 127931871; 134358398; 135012773; 137100856; 140098266 DR0574 DRUG__ID DR0574 DR0574 DRUGNAME Enasidenib DR0574 PUBCMCID 89683805 DR0574 DFORMULA C19H17F6N7O DR0574 INCHIKEY DYLUUSLLRIQKOE-UHFFFAOYSA-N DR0574 DRUINCHI 1S/C19H17F6N7O/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32) DR0574 CASMILES CC(C)(CNC1=NC(=NC(=N1)C2=NC(=CC=C2)C(F)(F)F)NC3=CC(=NC=C3)C(F)(F)F)O DR0574 CAS__NUM CAS 1446502-11-9 DR0574 CHEBINUM 145374 DR0575 DRUG__ID DR0575 DR0575 DRUGNAME Encainide DR0575 PUBCMCID 48041 DR0575 TTDRUGID D06PAZ DR0575 DFORMULA C22H28N2O2 DR0575 INCHIKEY PJWPNDMDCLXCOM-UHFFFAOYSA-N DR0575 DRUINCHI 1S/C22H28N2O2/c1-24-16-6-5-8-19(24)13-10-17-7-3-4-9-21(17)23-22(25)18-11-14-20(26-2)15-12-18/h3-4,7,9,11-12,14-15,19H,5-6,8,10,13,16H2,1-2H3,(H,23,25) DR0575 CASMILES CN1CCCCC1CCC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OC DR0575 CAS__NUM CAS 66778-36-7 DR0575 CHEBINUM 4788 DR0575 PUBCMSID 9192; 6165533; 7979158; 8180518; 12012630; 15373859; 34712961; 46504470; 48415942; 49877070; 50064743; 57313176; 80562377; 96024590; 99313642; 104354474; 117563414; 124896651; 125749069; 126666719; 128926702; 134223157; 134337811; 135007178; 135049140; 137231478; 142970991; 162518740; 163693531; 163852995; 172892145; 179225703; 184536609; 184547004; 194147897; 196396473; 203084558; 223669045; 224787244; 225384108; 226471947; 241066723; 249965307; 252345471 DR0577 DRUG__ID DR0577 DR0577 DRUGNAME Enclomiphene DR0577 PUBCMCID 1548953 DR0577 TTDRUGID D0CT9Y DR0577 DFORMULA C26H28ClNO DR0577 INCHIKEY GKIRPKYJQBWNGO-OCEACIFDSA-N DR0577 DRUINCHI 1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25+ DR0577 CASMILES CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3 DR0577 CAS__NUM CAS 911-45-5 DR0577 CHEBINUM 3752 DR0577 PUBCMSID 9134; 7978971; 7979159; 8653308; 14879465; 32248894; 46504463; 47646665; 48094648; 48169503; 48169504; 49698470; 50058156; 50085975; 50124218; 51092022; 56352921; 57409058; 75735317; 81093254; 85788573; 90452382; 92309293; 93165675; 93166374; 96025593; 103249489; 104057024; 110525086; 117721819; 124800080; 124893612; 126690411; 131742069; 135024045; 139650876; 164235770; 175270141; 176484319; 179148468; 184022027; 198962245; 223365954; 224924849; 250133940; 251960682; 252635354 DR0578 DRUG__ID DR0578 DR0578 DRUGNAME Encorafenib DR0578 PUBCMCID 50922675 DR0578 TTDRUGID D0TK7R DR0578 DFORMULA C22H27ClFN7O4S DR0578 INCHIKEY CMJCXYNUCSMDBY-ZDUSSCGKSA-N DR0578 DRUINCHI 1S/C22H27ClFN7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)26-10-13(3)27-22(32)35-4)20(29-31)15-8-14(23)9-18(19(15)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1 DR0578 CASMILES CC(C)N1C=C(C(=N1)C2=CC(=CC(=C2F)NS(=O)(=O)C)Cl)C3=NC(=NC=C3)NCC(C)NC(=O)OC DR0578 CAS__NUM CAS 1269440-17-6 DR0578 PUBCMSID 113916820; 138935331; 163643304; 172821370; 177218161; 184024317; 184024338; 184525737; 184525758; 184525779; 198937762; 210275262; 210280903; 224552863; 226088091; 233756042; 242651812; 249565591 DR0579 DRUG__ID DR0579 DR0579 DRUGNAME Enflurane DR0579 PUBCMCID 3226 DR0579 TTDRUGID D0AO9S DR0579 DFORMULA C3H2ClF5O DR0579 INCHIKEY JPGQOUSTVILISH-UHFFFAOYSA-N DR0579 DRUINCHI 1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H DR0579 CASMILES C(C(OC(F)F)(F)F)(F)Cl DR0579 CAS__NUM CAS 13838-16-9 DR0579 CHEBINUM 4792 DR0579 PUBCMSID 9719; 412027; 3159891; 3723211; 5141500; 7847609; 7979165; 8145857; 8152049; 10507438; 15017403; 29222367; 46505314; 48413717; 49857358; 50112675; 51014447; 57321670; 81065519; 103385283; 104302894; 118838433; 124893307; 125363753; 126651887; 128307820; 131499045; 134338084; 134989789; 135590731; 136986714; 137008459; 139078461; 143459061; 143799467; 144205979; 144207364; 151992462; 160841876; 160963576; 162129908; 162303127; 162789551; 163406911; 164809625; 165235538; 176321093; 178103750; 179116667; 184554139 DR0580 DRUG__ID DR0580 DR0580 DRUGNAME Enfuvirtide DR0580 PUBCMCID 24847866 DR0580 TTDRUGID D06GBQ DR0580 DFORMULA C206H304N52O66 DR0580 INCHIKEY BWVBEUNZTQWGMR-CKVIKZOTSA-N DR0580 DRUINCHI 1S/C206H304N52O66/c1-20-103(15)168(254-197(315)137(75-101(11)12)239-202(320)151(94-261)252-192(310)143(82-113-90-216-96-221-113)249-205(323)169(104(16)21-2)255-198(316)138(76-102(13)14)240-203(321)152(95-262)253-206(324)170(106(18)263)256-199(317)148(258-257-107(19)264)78-109-45-47-114(265)48-46-109)204(322)234-132(58-68-165(283)284)180(298)229-131(57-67-164(281)282)184(302)251-150(93-260)200(318)233-126(52-62-156(212)269)181(299)246-145(84-158(214)271)193(311)230-125(51-61-155(211)268)177(295)225-123(49-59-153(209)266)175(293)227-127(53-63-160(273)274)178(296)223-121(43-31-33-69-207)174(292)245-144(83-157(213)270)194(312)232-128(54-64-161(275)276)179(297)226-124(50-60-154(210)267)176(294)228-129(55-65-162(277)278)182(300)235-134(72-98(5)6)187(305)237-133(71-97(3)4)186(304)231-130(56-66-163(279)280)183(301)236-135(73-99(7)8)189(307)248-147(86-166(285)286)196(314)224-122(44-32-34-70-208)173(291)242-140(79-110-87-217-118-40-28-25-37-115(110)118)185(303)222-105(17)171(289)250-149(92-259)201(319)238-136(74-100(9)10)188(306)243-142(81-112-89-219-120-42-30-27-39-117(112)120)191(309)247-146(85-159(215)272)195(313)244-141(80-111-88-218-119-41-29-26-38-116(111)119)190(308)241-139(172(290)220-91-167(287)288)77-108-35-23-22-24-36-108/h22-30,35-42,45-48,87-90,96-106,121-152,168-170,217-219,258-263,265H,20-21,31-34,43-44,49-86,91-95,207-208H2,1-19H3,(H2,209,266)(H2,210,267)(H2,211,268)(H2,212,269)(H2,213,270)(H2,214,271)(H2,215,272)(H,216,221)(H,220,290)(H,222,303)(H,223,296)(H,224,314)(H,225,295)(H,226,297)(H,227,293)(H,228,294)(H,229,298)(H,230,311)(H,231,304)(H,232,312)(H,233,318)(H,234,322)(H,235,300)(H,236,301)(H,237,305)(H,238,319)(H,239,320)(H,240,321)(H,241,308)(H,242,291)(H,243,306)(H,244,313)(H,245,292)(H,246,299)(H,247,309)(H,248,307)(H,249,323)(H,250,289)(H,251,302)(H,252,310)(H,253,324)(H,254,315)(H,255,316)(H,256,317)(H,257,264)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)/t103-,104-,105-,106+,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,168-,169-,170-/m0/s1 DR0580 CASMILES CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC(=O)N)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)NC(CC7=CC=CC=C7)C(=O)NCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CC8=CN=CN8)NC(=O)C(C(C)CC)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC9=CC=C(C=C9)O)NNC(=O)C DR0580 CAS__NUM CAS 159519-65-0 DR0580 PUBCMSID 50067779 DR0581 DRUG__ID DR0581 DR0581 DRUGNAME Entacapone DR0581 PUBCMCID 5281081 DR0581 TTDRUGID D0J1VY DR0581 DFORMULA C14H15N3O5 DR0581 INCHIKEY JRURYQJSLYLRLN-BJMVGYQFSA-N DR0581 DRUINCHI 1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+ DR0581 CASMILES CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C#N DR0581 CAS__NUM CAS 130929-57-6 DR0581 CHEBINUM 4798 DR0581 PUBCMSID 10145; 7847846; 7979169; 8616509; 11528716; 12014660; 14776335; 26757974; 39290001; 46508734; 49658624; 50064207; 50214283; 53790856; 57358005; 92308972; 92719407; 93166184; 103248957; 104004044; 113854525; 119504915; 121682934; 124893160; 126530712; 126592033; 126620827; 126653084; 126666453; 131297374; 134337899; 135017133; 135032923; 137001453; 141610450; 144115941; 144205737; 152104428; 160963840; 163620784; 163686109; 164814929; 164840953; 170464850; 172917348; 175268297; 175610943; 176484081; 177748942; 178103260 DR0582 DRUG__ID DR0582 DR0582 DRUGNAME Entrectinib DR0582 PUBCMCID 25141092 DR0582 TTDRUGID D0O0LS DR0582 DFORMULA C31H34F2N6O2 DR0582 INCHIKEY HAYYBYPASCDWEQ-UHFFFAOYSA-N DR0582 DRUINCHI 1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40) DR0582 CASMILES CN1CCN(CC1)C2=CC(=C(C=C2)C(=O)NC3=NNC4=C3C=C(C=C4)CC5=CC(=CC(=C5)F)F)NC6CCOCC6 DR0582 CAS__NUM CAS 1108743-60-7 DR0582 PUBCMSID 56468453; 85003850; 103905026; 141279489; 223686891; 224447706; 229522507; 242521480; 246344423; 246919954; 249748717; 252164339; 252166502 DR0583 DRUG__ID DR0583 DR0583 DRUGNAME Enzalutamide DR0583 PUBCMCID 15951529 DR0583 TTDRUGID D0M1YR DR0583 DFORMULA C21H16F4N4O2S DR0583 INCHIKEY WXCXUHSOUPDCQV-UHFFFAOYSA-N DR0583 DRUINCHI 1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30) DR0583 CASMILES CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C DR0583 CAS__NUM CAS 915087-33-1 DR0583 CHEBINUM 68534 DR0583 PUBCMSID 22422973; 26557832; 33334455; 85286065; 99437051; 103756429; 124757115; 125163919; 125299336; 125749051; 126731384; 131480739; 135261179; 135684120; 135727393; 136367372; 136367882; 136375508; 137009352; 137275964; 143499468; 144116190; 151990441; 152237529; 152258872; 152344309; 160645896; 160647721; 160821662; 162011754; 162036208; 162196987; 163091639; 163312249; 164041953; 164154607; 164193917; 164761729; 165245624; 172093747; 172914062; 174477518; 174531457; 175267791; 175427141; 177748753; 178103418; 185989448; 188899565; 198993053 DR0584 DRUG__ID DR0584 DR0584 DRUGNAME TS-702 DR0584 PUBCMCID 72014 DR0584 TTDRUGID D0Y0GG DR0584 DFORMULA C20H23N3O4 DR0584 INCHIKEY YARKMNAWFIMDKV-UHFFFAOYSA-N DR0584 DRUINCHI 1S/C20H23N3O4/c21-12-16-3-1-2-4-19(16)27-14-18(25)13-22-9-10-23-20(26)11-15-5-7-17(24)8-6-15/h1-8,18,22,24-25H,9-11,13-14H2,(H,23,26) DR0584 CASMILES C1=CC=C(C(=C1)C#N)OCC(CNCCNC(=O)CC2=CC=C(C=C2)O)O DR0584 CAS__NUM CAS 86880-51-5 DR0584 CHEBINUM 4800 DR0585 DRUG__ID DR0585 DR0585 DRUGNAME DW-1030 DR0585 PUBCMCID 123698 DR0585 TTDRUGID D0P8TS DR0585 DFORMULA C17H26ClNO DR0585 INCHIKEY GTAXGNCCEYZRII-UHFFFAOYSA-N DR0585 DRUINCHI 1S/C17H25NO.ClH/c1-3-15-7-9-16(10-8-15)17(19)14(2)13-18-11-5-4-6-12-18;/h7-10,14H,3-6,11-13H2,1-2H3;1H DR0585 CASMILES CCC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2.Cl DR0585 CAS__NUM CAS 56839-43-1 DR0585 CHEBINUM 31540 DR0586 DRUG__ID DR0586 DR0586 DRUGNAME Ephedrin DR0586 PUBCMCID 9294 DR0586 TTDRUGID D0LG8E DR0586 DFORMULA C10H15NO DR0586 INCHIKEY KWGRBVOPPLSCSI-WPRPVWTQSA-N DR0586 DRUINCHI 1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1 DR0586 CASMILES CC(C(C1=CC=CC=C1)O)NC DR0586 CAS__NUM CAS 299-42-3 DR0586 CHEBINUM 15407 DR0586 PUBCMSID 4732; 598368; 7847192; 7979173; 8143173; 8156646; 10517637; 15147083; 15219436; 24848190; 24868714; 29227903; 46507538;47291377; 47365458; 47736757; 48415944; 48424318; 49965013; 50111064; 57325562; 57392731; 79710055; 99222720; 103492152; 104320122; 117475916; 119525662; 124749764; 124892369; 128443809; 131309442; 134975118; 135650234; 136903786; 137001226; 142245143; 160964651; 163418533; 163850169; 175265573; 179150516; 198946050; 223520862; 223667135; 223671453; 223671797; 223786876; 226396713; 241058217 DR0587 DRUG__ID DR0587 DR0587 DRUGNAME Epinastine DR0587 PUBCMCID 3241 DR0587 TTDRUGID D0DV3O DR0587 DFORMULA C16H15N3 DR0587 INCHIKEY WHWZLSFABNNENI-UHFFFAOYSA-N DR0587 DRUINCHI 1S/C16H15N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15H,9-10H2,(H2,17,18) DR0587 CASMILES C1C2C3=CC=CC=C3CC4=CC=CC=C4N2C(=N1)N DR0587 CAS__NUM CAS 80012-43-7 DR0587 CHEBINUM 51037 DR0587 PUBCMSID 5173366; 8152057; 14847686; 29217549; 29222382; 46509056; 50065222; 50111706; 56464356; 57321677; 75376315; 81041126; 85209437; 85286058; 90340676; 92714612; 96024596; 103305708; 104022599; 104302939; 118313772; 125357916; 126629485; 126655288; 126684289; 129584096; 134338331; 135026263; 136912969; 137101854; 142087407; 152034622; 152253736; 160964094; 162176284; 164814672; 178103751; 179148544; 196106483; 206246277; 210279785; 210282108; 221672861; 223381334; 223435039; 223681981; 224278905; 226408729; 251912269; 251916574 DR0590 DRUG__ID DR0590 DR0590 DRUGNAME Epinephrine hydrochloride DR0590 PUBCMCID 441411 DR0590 TTDRUGID D04PHC DR0590 DFORMULA C9H14ClNO3 DR0590 INCHIKEY ATADHKWKHYVBTJ-FVGYRXGTSA-N DR0590 DRUINCHI 1S/C9H13NO3.ClH/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;/h2-4,9-13H,5H2,1H3;1H/t9-;/m0./s1 DR0590 CASMILES CNCC(C1=CC(=C(C=C1)O)O)O.Cl DR0590 CAS__NUM CAS 55-31-2 DR0590 CHEBINUM 6213 DR0591 DRUG__ID DR0591 DR0591 DRUGNAME Epirubicin DR0591 PUBCMCID 41867 DR0591 TTDRUGID D0C9XJ DR0591 DFORMULA C27H29NO11 DR0591 INCHIKEY AOJJSUZBOXZQNB-VTZDEGQISA-N DR0591 DRUINCHI 1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22-,27-/m0/s1 DR0591 CASMILES CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O DR0591 CAS__NUM CAS 56420-45-2 DR0591 CHEBINUM 47898 DR0591 PUBCMSID 13409; 793944; 8177324; 14716206; 14812446; 14837077; 24769893; 26704252; 26710264; 34707467; 46507282; 46530809; 48415946; 49995002; 50070726; 53787927; 56311421; 56313206; 56313988; 57288587; 57288773; 57312617; 77126435; 96024597; 103164726; 104338146; 117597720; 123080197; 126686290; 127301368; 127301369; 127301370; 127301371; 127301372; 127301373; 127301374; 127301375; 127301376; 127301377; 127301378; 127301379; 127301380; 127301381; 127301382; 127301383; 127301384; 127301385; 127301386; 127301387; 127301388 DR0592 DRUG__ID DR0592 DR0592 DRUGNAME Eplerenone DR0592 PUBCMCID 443872 DR0592 TTDRUGID D0Q4SD DR0592 DFORMULA C24H30O6 DR0592 INCHIKEY JUKPWJGBANNWMW-VWBFHTRKSA-N DR0592 DRUINCHI 1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1 DR0592 CASMILES CC12CCC(=O)C=C1CC(C3C24C(O4)CC5(C3CCC56CCC(=O)O6)C)C(=O)OC DR0592 CAS__NUM CAS 107724-20-9 DR0592 CHEBINUM 31547 DR0592 PUBCMSID 582902; 7848178; 7978615; 10944293; 12015198; 14879938; 14904453; 26754514; 36544725; 46509053; 49830291; 53787272; 56352903; 57404541; 71826056; 74735937; 91748944; 92720250; 103752013; 104152661; 104253325; 104630900; 124757444; 125164248; 126620102; 126655086; 127327776; 127327777; 127327778; 135107050; 135650235; 135692237; 136077139; 137101310; 142093240; 144205299; 152101726; 160870987; 162037710; 162248542; 164786776; 170465283; 175267681; 175423520; 176484681; 179149556; 184545427; 187072493; 196109783; 210279392 DR0593 DRUG__ID DR0593 DR0593 DRUGNAME Epoprostenol DR0593 PUBCMCID 5282411 DR0593 TTDRUGID D0V0IX DR0593 DFORMULA C20H32O5 DR0593 INCHIKEY KAQKFAOMNZTLHT-OZUDYXHBSA-N DR0593 DRUINCHI 1S/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-/t14-,16+,17+,18+,19-/m0/s1 DR0593 CASMILES CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)O2)O)O DR0593 CAS__NUM CAS 35121-78-9 DR0593 CHEBINUM 15552 DR0593 PUBCMSID 4266019; 7979800; 7980285; 8143216; 11038504; 14900947; 26754810; 26754811; 39315859; 47291286; 47662474; 48110621; 48415947; 50110786; 57358657; 77700624; 85788539; 92309912; 93166672; 99300826; 103326666; 113857140; 127327695; 127327696; 127335056; 127335057; 127335058; 127335059; 127335060; 135000098; 135651541; 137003054; 142047542; 164756785; 175267334; 179150361; 224259470; 226399315; 250134198; 252216120; 252378175; 252455636 DR0594 DRUG__ID DR0594 DR0594 DRUGNAME Equilenin DR0594 PUBCMCID 444865 DR0594 TTDRUGID D08WDY DR0594 DFORMULA C18H18O2 DR0594 INCHIKEY PDRGHUMCVRDZLQ-WMZOPIPTSA-N DR0594 DRUINCHI 1S/C18H18O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16,19H,6-9H2,1H3/t16-,18-/m0/s1 DR0594 CASMILES CC12CCC3=C(C1CCC2=O)C=CC4=C3C=CC(=C4)O DR0594 CAS__NUM CAS 517-09-9 DR0594 PUBCMSID 820980; 828639; 828643; 828644; 836042; 854746; 855191; 7887350; 10299594; 14714955; 15197222; 15925964; 17395303; 24860441; 26710297; 36887747; 46392780; 46393462; 46509080; 53812543; 57404643; 57648900; 74374181; 79734085; 81060992; 87226001; 87226002; 92192448; 103513880; 104231780; 104633042; 119525954; 125264324; 125264325; 125264326; 125333153; 125333154; 126722978; 126722980; 128900977; 134976304; 137248839; 160966631; 163134380; 164152420; 176265493; 179316938; 198951559; 223438441; 223466302 DR0595 DRUG__ID DR0595 DR0595 DRUGNAME Erdafitinib DR0595 PUBCMCID 67462786 DR0595 TTDRUGID D0NW0T DR0595 DFORMULA C25H30N6O2 DR0595 INCHIKEY OLAHOMJCDNXHFI-UHFFFAOYSA-N DR0595 DRUINCHI 1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3 DR0595 CASMILES CC(C)NCCN(C1=CC2=NC(=CN=C2C=C1)C3=CN(N=C3)C)C4=CC(=CC(=C4)OC)OC DR0595 CAS__NUM CAS 1346242-81-6 DR0596 DRUG__ID DR0596 DR0596 DRUGNAME Ergocalciferol DR0596 PUBCMCID 5280793 DR0596 TTDRUGID D06JPB DR0596 DFORMULA C28H44O DR0596 INCHIKEY MECHNRXZTMCUDQ-RKHKHRCZSA-N DR0596 DRUINCHI 1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1 DR0596 CASMILES CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C DR0596 CAS__NUM CAS 50-14-6 DR0596 CHEBINUM 28934 DR0597 DRUG__ID DR0597 DR0597 DRUGNAME Ergometrine DR0597 PUBCMCID 443884 DR0597 TTDRUGID D0C1IW DR0597 DFORMULA C19H23N3O2 DR0597 INCHIKEY WVVSZNPYNCNODU-XTQGRXLLSA-N DR0597 DRUINCHI 1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13+,17+/m0/s1 DR0597 CASMILES CC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C DR0597 CAS__NUM CAS 60-79-7 DR0597 CHEBINUM 4822 DR0597 PUBCMSID 9746; 15025041; 17182857; 36887065; 46506922; 48334665; 48483985; 49965408; 50276154; 57404547; 96024601; 99313644; 103346479; 104630924; 124558742; 124882896; 134224213; 134337542; 134970548; 135650238; 136290435; 137002473; 141839365; 144205575; 160870074; 160964585; 175268027; 179230507; 226457497; 241108708; 241201451; 242083485; 252215367; 252348890 DR0598 DRUG__ID DR0598 DR0598 DRUGNAME Ergonovine maleate DR0598 PUBCMCID 6437065 DR0598 DFORMULA C23H27N3O6 DR0598 INCHIKEY YREISLCRUMOYAY-IIPCNOPRSA-N DR0598 DRUINCHI 1S/C19H23N3O2.C4H4O4/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13;5-3(6)1-2-4(7)8/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24);1-2H,(H,5,6)(H,7,8)/b;2-1-/t11-,13+,17+;/m0./s1 DR0598 CASMILES CC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C.C(=CC(=O)O)C(=O)O DR0598 CAS__NUM CAS 129-51-1 DR0598 CHEBINUM 31554 DR0600 DRUG__ID DR0600 DR0600 DRUGNAME Ergotamine tartrate DR0600 PUBCMCID 16051995 DR0600 TTDRUGID D01TSI DR0600 DFORMULA C37H41N5O11 DR0600 INCHIKEY NMTWKEWYQXZGCI-DDLCCZDQSA-N DR0600 DRUINCHI 1S/C33H35N5O5.C4H6O6/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;5-1(3(7)8)2(6)4(9)10/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39);1-2,5-6H,(H,7,8)(H,9,10)/t21-,25-,26+,27+,32-,33+;/m1./s1 DR0600 CASMILES CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C.C(C(C(=O)O)O)(C(=O)O)O DR0600 CAS__NUM CAS 379-79-3 DR0601 DRUG__ID DR0601 DR0601 DRUGNAME Eribulin DR0601 PUBCMCID 11354606 DR0601 TTDRUGID D0KK2E DR0601 DFORMULA C40H59NO11 DR0601 INCHIKEY UFNVPOGXISZXJD-JBQZKEIOSA-N DR0601 DRUINCHI 1S/C40H59NO11/c1-19-11-24-5-7-28-20(2)12-26(45-28)9-10-40-17-33-36(51-40)37-38(50-33)39(52-40)35-29(49-37)8-6-25(47-35)13-22(42)14-27-31(16-30(46-24)21(19)3)48-32(34(27)44-4)15-23(43)18-41/h19,23-39,43H,2-3,5-18,41H2,1,4H3/t19-,23+,24+,25-,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+/m1/s1 DR0601 CASMILES CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)CC9C(CC(C1=C)O2)OC(C9OC)CC(CN)O DR0601 CAS__NUM CAS 253128-41-5 DR0601 CHEBINUM 63587 DR0601 PUBCMSID 16446284; 135253408; 135611179; 164147247; 175268313; 178103419; 210274856; 210280489; 240715658 DR0603 DRUG__ID DR0603 DR0603 DRUGNAME Erlotinib hydrochloride DR0603 PUBCMCID 176871 DR0603 TTDRUGID D07POC DR0603 DFORMULA C22H24ClN3O4 DR0603 INCHIKEY GTTBEUCJPZQMDZ-UHFFFAOYSA-N DR0603 DRUINCHI 1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) DR0603 CASMILES COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC DR0603 CAS__NUM CAS 183321-74-6 DR0603 CHEBINUM 53509 DR0604 DRUG__ID DR0604 DR0604 DRUGNAME Ertugliflozin DR0604 PUBCMCID 44814423 DR0604 TTDRUGID D0Q3VE DR0604 DFORMULA C22H25ClO7 DR0604 INCHIKEY MCIACXAZCBVDEE-CUUWFGFTSA-N DR0604 DRUINCHI 1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1 DR0604 CASMILES CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C34C(C(C(C(O3)(CO4)CO)O)O)O)Cl DR0604 CAS__NUM CAS 1210344-57-2 DR0604 PUBCMSID 89442948; 120130619; 131281547; 131345821; 140604034; 162011560; 162108670; 162205143; 163312343; 174526435; 185978788; 198984080; 210024075; 223404370; 223471394; 224604107; 226541727; 243511761; 252109952; 252166588; 252448906 DR0613 DRUG__ID DR0613 DR0613 DRUGNAME Erythromycin salnacedin DR0613 PUBCMCID 9854689 DR0613 TTDRUGID D09XQR DR0613 DFORMULA C49H80N2O18S DR0613 INCHIKEY CEKAAZRHRXXWDX-CQWDQVLCSA-N DR0613 DRUINCHI 1S/C37H67NO13.C12H13NO5S/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;1-7(14)13-9(11(16)17)6-19-12(18)8-4-2-3-5-10(8)15/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;2-5,9,15H,6H2,1H3,(H,13,14)(H,16,17)/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-;9-/m10/s1 DR0613 CASMILES CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O.CC(=O)NC(CSC(=O)C1=CC=CC=C1O)C(=O)O DR0613 CAS__NUM CAS 87573-04-4 DR0614 DRUG__ID DR0614 DR0614 DRUGNAME Erythromycin stearate DR0614 PUBCMCID 12559 DR0614 TTDRUGID D02YIZ DR0614 DFORMULA C55H103NO15 DR0614 INCHIKEY YAVZHCFFUATPRK-YZPBMOCRSA-N DR0614 DRUINCHI 1S/C37H67NO13.C18H36O2/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;2-17H2,1H3,(H,19,20)/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-;/m1./s1 DR0614 CASMILES CCCCCCCCCCCCCCCCCC(=O)O.CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O DR0614 CAS__NUM CAS 643-22-1 DR0614 CHEBINUM 34742 DR0617 DRUG__ID DR0617 DR0617 DRUGNAME Atenolol DR0617 PUBCMCID 2249 DR0617 TTDRUGID D01UXC DR0617 DFORMULA C14H22N2O3 DR0617 INCHIKEY METKIMKYRPQLGS-UHFFFAOYSA-N DR0617 DRUINCHI 1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) DR0617 CASMILES CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O DR0617 CAS__NUM CAS 29122-68-7 DR0617 CHEBINUM 2904 DR0617 PUBCMSID 855957; 3206539; 5313665; 7847302; 7978734; 8149723; 8151519; 11335232; 11360471; 11364258; 11366820; 11369382; 11372514; 11373929; 11377544; 11461443; 11485218; 11489227; 11491263; 11492250; 11495178; 11528603; 12014149; 14799140; 17404684; 17436233; 24277748; 25623439; 26612180; 26679879; 26747108; 26747109; 26751696; 29221423; 46506915; 47193738; 47216616; 47216617; 47885249; 48184827; 48334310; 48415588; 49703475; 49878510; 50085956; 50104387; 50104388; 50330349; 53777227; 53789685 DR0618 DRUG__ID DR0618 DR0618 DRUGNAME Escitalopram DR0618 PUBCMCID 146570 DR0618 TTDRUGID D08RBC DR0618 DFORMULA C20H21FN2O DR0618 INCHIKEY WSEQXVZVJXJVFP-FQEVSTJZSA-N DR0618 DRUINCHI 1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1 DR0618 CASMILES CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F DR0618 CAS__NUM CAS 128196-01-0 DR0618 CHEBINUM 36791 DR0618 PUBCMSID 10249284; 11110983; 11114081; 11364295; 11366857; 11369419; 11371963; 11374782; 11377581; 11484357; 11488367; 11490877; 11493026; 11495215; 14777200; 14826334; 17425394; 46223778; 46507040; 47736762; 48185248; 50067335; 50100207; 50123207; 57346404; 80123692; 85789669; 92308964; 93167153; 96024609; 103558387; 104156586; 104414365; 124879737; 124879740; 126525322; 126626833; 126667435; 126669969; 127339776; 127339777; 127339778; 135103622; 137002472; 141023772; 141191354; 160964509; 163124265; 164834640; 172914696 DR0620 DRUG__ID DR0620 DR0620 DRUGNAME Esculin DR0620 PUBCMCID 5281417 DR0620 DFORMULA C15H16O9 DR0620 INCHIKEY XHCADAYNFIFUHF-TVKJYDDYSA-N DR0620 DRUINCHI 1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1 DR0620 CASMILES C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O DR0620 CAS__NUM CAS 531-75-9 DR0620 CHEBINUM 4853 DR0621 DRUG__ID DR0621 DR0621 DRUGNAME JNJ-54135419 DR0621 PUBCMCID 182137 DR0621 TTDRUGID D0TP5H DR0621 DFORMULA C13H16ClNO DR0621 INCHIKEY YQEZLKZALYSWHR-ZDUSSCGKSA-N DR0621 DRUINCHI 1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m0/s1 DR0621 CASMILES CNC1(CCCCC1=O)C2=CC=CC=C2Cl DR0621 CAS__NUM CAS 33643-46-8 DR0621 CHEBINUM 60799 DR0624 DRUG__ID DR0624 DR0624 DRUGNAME Eslicarbazepine acetate DR0624 PUBCMCID 179344 DR0624 TTDRUGID D04QZD DR0624 DFORMULA C17H16N2O3 DR0624 INCHIKEY QIALRBLEEWJACW-INIZCTEOSA-N DR0624 DRUINCHI 1S/C17H16N2O3/c1-11(20)22-16-10-12-6-2-4-8-14(12)19(17(18)21)15-9-5-3-7-13(15)16/h2-9,16H,10H2,1H3,(H2,18,21)/t16-/m0/s1 DR0624 CASMILES CC(=O)OC1CC2=CC=CC=C2N(C3=CC=CC=C13)C(=O)N DR0624 CAS__NUM CAS 236395-14-5 DR0624 CHEBINUM 87016 DR0625 DRUG__ID DR0625 DR0625 DRUGNAME Esmirtazapine DR0625 PUBCMCID 3085218 DR0625 DFORMULA C17H19N3 DR0625 INCHIKEY RONZAEMNMFQXRA-MRXNPFEDSA-N DR0625 DRUINCHI 1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3/t16-/m1/s1 DR0625 CASMILES CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4 DR0625 CAS__NUM CAS 61337-87-9 DR0626 DRUG__ID DR0626 DR0626 DRUGNAME Esmolol DR0626 PUBCMCID 59768 DR0626 TTDRUGID D03XTC DR0626 DFORMULA C16H25NO4 DR0626 INCHIKEY AQNDDEOPVVGCPG-UHFFFAOYSA-N DR0626 DRUINCHI 1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3 DR0626 CASMILES CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O DR0626 CAS__NUM CAS 103598-03-4 DR0626 CHEBINUM 88206 DR0626 PUBCMSID 9194; 7435390; 7979187; 8186499; 14825011; 43117267; 46506146; 48415954; 49881073; 50068830; 50307609; 57313969; 85209983; 92309302; 92711342; 96024612; 99313645; 103203672; 104319031; 117553531; 124896652; 124896653; 126422058; 126630958; 126683075; 126684165; 127444743; 134337616; 135018086; 135060484;137252284; 137862731; 141092871; 152100153; 160963535; 162179020; 163134401; 163353820; 176484552; 178103753; 179151222; 179500095; 184675752; 211535411; 223653372; 223682206; 223837113; 226395749; 241162565; 250133519 DR0627 DRUG__ID DR0627 DR0627 DRUGNAME Esomeprazole DR0627 PUBCMCID 9568614 DR0627 TTDRUGID D0C6DT DR0627 DFORMULA C17H19N3O3S DR0627 INCHIKEY SUBDBMMJDZJVOS-DEOSSOPVSA-N DR0627 DRUINCHI 1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m0/s1 DR0627 CASMILES CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC DR0627 CAS__NUM CAS 161796-78-7 DR0627 CHEBINUM 50275 DR0627 PUBCMSID 591076; 14875947; 14900571; 44707139; 56394969; 80295315; 93166178; 96024613; 124759673; 124968856; 126525308; 126670961; 129288902; 129288903; 137001228; 137752931; 139533883; 152040240; 160825217; 163092495; 163384365; 163840367; 164044845; 175267781; 175269116; 175437905; 178102135; 189657728; 198993898; 204429634; 211535433; 223971225; 226409261; 246378786; 249855831; 250200763; 251886328; 251964001; 252074449; 252430137 DR0633 DRUG__ID DR0633 DR0633 DRUGNAME Estazolam DR0633 PUBCMCID 3261 DR0633 TTDRUGID D0P2CK DR0633 DFORMULA C16H11ClN4 DR0633 INCHIKEY CDCHDCWJMGXXRH-UHFFFAOYSA-N DR0633 DRUINCHI 1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2 DR0633 CASMILES C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4 DR0633 CAS__NUM CAS 29975-16-4 DR0633 CHEBINUM 4858 DR0633 PUBCMSID 9195; 145301; 5199055; 7847377; 7979189; 8152069; 10517653; 11528596; 15419098; 24894524; 29222400; 46507430; 48413727; 48415955;50113063; 50257507; 53788680; 57321687; 58106946; 81041129; 87688132; 93166639; 99313646; 103209579; 104302993; 109611576; 125347364; 126665806; 127607634; 131309454; 134338206; 134997768; 136949636;137005120; 137440701; 137783733; 144206162; 160964548; 164814347; 164841049; 170507541; 175265512; 179116671; 198993228; 221672875; 223365886; 223667151; 224783997; 226416014; 241050443 DR0636 DRUG__ID DR0636 DR0636 DRUGNAME Estradiol acetate DR0636 PUBCMCID 9818306 DR0636 TTDRUGID D0T7ZQ DR0636 DFORMULA C20H26O3 DR0636 INCHIKEY FHXBMXJMKMWVRG-SLHNCBLASA-N DR0636 DRUINCHI 1S/C20H26O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1 DR0636 CASMILES CC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CCC4O)C DR0636 CAS__NUM CAS 4245-41-4 DR0636 CHEBINUM 135981 DR0638 DRUG__ID DR0638 DR0638 DRUGNAME Estradiol cypionate DR0638 PUBCMCID 9403 DR0638 TTDRUGID D0U0XD DR0638 DFORMULA C26H36O3 DR0638 INCHIKEY UOACKFBJUYNSLK-XRKIENNPSA-N DR0638 DRUINCHI 1S/C26H36O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h8,10,16-17,21-24,27H,2-7,9,11-15H2,1H3/t21-,22-,23+,24+,26+/m1/s1 DR0638 CASMILES CC12CCC3C(C1CCC2OC(=O)CCC4CCCC4)CCC5=C3C=CC(=C5)O DR0638 CAS__NUM CAS 313-06-4 DR0638 CHEBINUM 34745 DR0644 DRUG__ID DR0644 DR0644 DRUGNAME Estradiol valerate DR0644 PUBCMCID 13791 DR0644 TTDRUGID D07VBA DR0644 DFORMULA C23H32O3 DR0644 INCHIKEY RSEPBGGWRJCQGY-RBRWEJTLSA-N DR0644 DRUINCHI 1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,21+,23+/m1/s1 DR0644 CASMILES CCCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C DR0644 CAS__NUM CAS 979-32-8 DR0644 CHEBINUM 31561 DR0645 DRUG__ID DR0645 DR0645 DRUGNAME Estramustine DR0645 PUBCMCID 259331 DR0645 TTDRUGID D03SRY DR0645 DFORMULA C23H31Cl2NO3 DR0645 INCHIKEY FRPJXPJMRWBBIH-RBRWEJTLSA-N DR0645 DRUINCHI 1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3/t18-,19-,20+,21+,23+/m1/s1 DR0645 CASMILES CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl DR0645 CAS__NUM CAS 2998-57-4 DR0645 CHEBINUM 4868 DR0645 PUBCMSID 13407; 396503; 7978494; 9402932; 11446334; 16850624; 24702260; 26758003; 41280965; 46508765; 47206023; 56352913; 57400709; 76429291; 93166640; 103589705; 104467345; 119525106; 125083748; 126616924; 127301152; 127301153; 127301154; 127301155; 127301156; 127301157; 127301158; 127301159; 127301160; 127301161; 127301162; 127301163; 127301164; 127301165; 127889566; 134983568; 136342495; 137129046; 140230311; 144205760; 162174802; 162221629; 163134406; 163883659; 164788803; 170466403; 175266702; 175612197; 179150282; 184545983 DR0646 DRUG__ID DR0646 DR0646 DRUGNAME Estriol DR0646 PUBCMCID 5756 DR0646 TTDRUGID D0Z1FX DR0646 DFORMULA C18H24O3 DR0646 INCHIKEY PROQIPRRNZUXQM-ZXXIGWHRSA-N DR0646 DRUINCHI 1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1 DR0646 CASMILES CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O DR0646 CAS__NUM CAS 50-27-1 DR0646 CHEBINUM 27974 DR0646 PUBCMSID 7560; 76927; 584764; 841394; 7847253; 7887358; 7979190; 8137982; 8153533; 11467124; 11468244; 11486792; 11532998; 11533161; 12146109; 14714952; 14775632; 24870296; 24894391; 24894396; 29224792; 46505881; 47213247; 47574682; 47796320; 48020302; 48170725; 48319784; 48421872; 49699292; 49965926; 50123986; 50280479; 53788422; 56313619; 57322932; 57392874; 57650833; 85788080; 87569501; 92126038; 92297526; 92309096; 93165576; 103469357; 103914539; 104253633; 104310166; 121363709; 124757812 DR0648 DRUG__ID DR0648 DR0648 DRUGNAME Estrone DR0648 PUBCMCID 5870 DR0648 TTDRUGID D00ZFP DR0648 DFORMULA C18H22O2 DR0648 INCHIKEY DNXHEGUUPJUMQT-CBZIJGRNSA-N DR0648 DRUINCHI 1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 DR0648 CASMILES CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O DR0648 CAS__NUM CAS 53-16-7 DR0648 CHEBINUM 17263 DR0648 PUBCMSID 2687; 3751; 613807; 841396; 855919; 3133155; 7847135; 7979191; 8144215; 8153628; 11466942; 11468062;11486713; 14714953; 14750534; 14774967; 17405076; 24278427; 24715020; 24870303; 24894399; 26512283; 26751561; 26751562; 29224898; 46505916; 46517467; 47213246; 47275539; 47424227; 47646545; 47646546;47646547; 47720600; 47943749; 48094530; 48243347; 48318399; 48421873; 49684201; 49699003; 49965933; 50104169; 50104170; 50124146; 50124147; 50124148; 50967133; 53777619; 53787846 DR0650 DRUG__ID DR0650 DR0650 DRUGNAME Estrone sulfate DR0650 PUBCMCID 3001028 DR0650 TTDRUGID D04AXP DR0650 DFORMULA C18H22O5S DR0650 INCHIKEY JKKFKPJIXZFSSB-CBZIJGRNSA-N DR0650 DRUINCHI 1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1 DR0650 CASMILES CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O DR0650 CAS__NUM CAS 481-97-0 DR0650 CHEBINUM 17474 DR0651 DRUG__ID DR0651 DR0651 DRUGNAME Estropipate DR0651 PUBCMCID 5284555 DR0651 TTDRUGID D03IUY DR0651 DFORMULA C22H32N2O5S DR0651 INCHIKEY HZEQBCVBILBTEP-ZFINNJDLSA-N DR0651 DRUINCHI 1S/C18H22O5S.C4H10N2/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;1-2-6-4-3-5-1/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);5-6H,1-4H2/t14-,15-,16+,18+;/m1./s1 DR0651 CASMILES CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O.C1CNCCN1 DR0651 CAS__NUM CAS 7280-37-7 DR0651 CHEBINUM 4873 DR0652 DRUG__ID DR0652 DR0652 DRUGNAME Eszopiclone DR0652 PUBCMCID 969472 DR0652 TTDRUGID D06ZII DR0652 DFORMULA C17H17ClN6O3 DR0652 INCHIKEY GBBSUAFBMRNDJC-INIZCTEOSA-N DR0652 DRUINCHI 1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/t16-/m0/s1 DR0652 CASMILES CN1CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl DR0652 CAS__NUM CAS 138729-47-2 DR0652 CHEBINUM 53760 DR0652 PUBCMSID 8719708; 12015386; 14927588; 17396794; 25819909; 26612818; 29215492; 44256005; 46505809; 49666409; 50070163; 50070571; 50071326; 57408900; 61128015; 75503740; 87246620; 89736090; 92714227; 103558705; 104170161; 110105491; 117478867; 121362188; 121362390; 125169642; 126592991; 126627684; 126629616; 126655556; 131298420; 131378756; 134221729; 135114014; 135696725; 137002949; 141949765; 144205286; 152035015; 160963748; 162957823; 164196530; 164832496; 170465445; 172080786; 175265884; 175271194; 175610981; 178104001; 179149892 DR0653 DRUG__ID DR0653 DR0653 DRUGNAME MK-595 DR0653 PUBCMCID 3278 DR0653 TTDRUGID D06TNL DR0653 DFORMULA C13H12Cl2O4 DR0653 INCHIKEY AVOLMBLBETYQHX-UHFFFAOYSA-N DR0653 DRUINCHI 1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17) DR0653 CASMILES CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl DR0653 CAS__NUM CAS 58-54-8 DR0653 CHEBINUM 4876 DR0653 PUBCMSID 122995; 491575; 798369; 834701; 855762; 5208062; 7847379; 7887267; 8149337; 8152080; 10321631; 11112144; 11336075; 11361314; 11363707; 11366269; 11368831; 11371330; 11374346; 11376993; 11446250; 11462286; 11466287; 11467407; 11483790; 11486033; 11487913; 11490241; 11492359; 11494627; 14776240; 17389016; 24894577; 26611737; 26680116; 26706137; 26746983; 26746984; 29222417; 46392033; 46394202; 46507562; 47662347; 47736552; 47959820; 47959821; 47959822; 48110508; 48185057; 48423385 DR0654 DRUG__ID DR0654 DR0654 DRUGNAME NSC-38348 DR0654 PUBCMCID 28329 DR0654 DFORMULA C13H21N5O2 DR0654 INCHIKEY AWKLBIOQCIORSB-UHFFFAOYSA-N DR0654 DRUINCHI 1S/C13H21N5O2/c1-5-17(6-2)7-8-18-9-14-11-10(18)12(19)16(4)13(20)15(11)3/h9H,5-8H2,1-4H3 DR0654 CASMILES CCN(CC)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C DR0654 CAS__NUM CAS 314-35-2 DR0654 CHEBINUM 135157 DR0655 DRUG__ID DR0655 DR0655 DRUGNAME Ethanol DR0655 PUBCMCID 702 DR0655 TTDRUGID D00AMQ DR0655 DFORMULA C2H6O DR0655 INCHIKEY LFQSCWFLJHTTHZ-UHFFFAOYSA-N DR0655 DRUINCHI 1S/C2H6O/c1-2-3/h3H,2H2,1H3 DR0655 CASMILES CCO DR0655 CAS__NUM CAS 64-17-5 DR0655 CHEBINUM 16236 DR0655 PUBCMSID 2694; 3752; 122577; 588484; 601786; 825155; 827842; 841053; 3137603; 7344411; 7847136; 7887325; 7887328; 7889563; 7889631; 7979196; 8145680; 8150751; 10531509; 14709184; 15170309; 17389892; 24439064; 24845303; 24845391; 24845392; 24845393; 24845394; 24845395; 24845396; 24845397; 24845398; 24845399; 24845400; 24845401; 24845402; 24845403; 24845404; 24845405; 24845406; 24845407; 24845408; 24851272; 24854453; 24854455; 24854458; 24854460; 24854502; 24854733; 24856395 DR0656 DRUG__ID DR0656 DR0656 DRUGNAME Ethinyl estradiol DR0656 PUBCMCID 5991 DR0656 TTDRUGID D06NXY DR0656 DFORMULA C20H24O2 DR0656 INCHIKEY BFPYWIDHMRZLRN-SLHNCBLASA-N DR0656 DRUINCHI 1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1 DR0656 CASMILES CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O DR0656 CAS__NUM CAS 57-63-6 DR0656 CHEBINUM 4903 DR0656 PUBCMSID 9737; 76025; 7847620; 7979198; 8139942; 8153725; 11404629; 11533305; 14898199; 14922735; 17389896; 24702258; 24714981; 24869989; 24894585; 26512288; 26719638; 26753042; 29215113; 29225006; 46386858; 46508618; 48413731; 48415973; 48421874; 48423390; 48425117; 49854450; 53788253; 56311124; 56311183; 56311332; 56311399; 56311403; 56311406; 56311535; 56312680; 56313453; 56313621; 56313838; 56313881; 56314241; 57288591; 57650750; 71821446; 78032044; 81093168; 92308409; 92713395; 93165614 DR0658 DRUG__ID DR0658 DR0658 DRUGNAME Ethinylestradiol propanesulfonate DR0658 PUBCMCID 68582 DR0658 DFORMULA C23H30O4S DR0658 INCHIKEY KPEUDULLQDHKAZ-VROINQGHSA-N DR0658 DRUINCHI 1S/C23H30O4S/c1-5-23(24)13-11-21-20-8-6-16-14-17(27-28(25,26)15(2)3)7-9-18(16)19(20)10-12-22(21,23)4/h1,7,9,14-15,19-21,24H,6,8,10-13H2,2-4H3/t19-,20-,21+,22+,23+/m1/s1 DR0658 CASMILES CC(C)S(=O)(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CCC4(C#C)O)C DR0658 CAS__NUM CAS 28913-23-7 DR0658 CHEBINUM 135643 DR0659 DRUG__ID DR0659 DR0659 DRUGNAME Ethosuximide DR0659 PUBCMCID 3291 DR0659 TTDRUGID D0Q4XQ DR0659 DFORMULA C7H11NO2 DR0659 INCHIKEY HAPOVYFOVVWLRS-UHFFFAOYSA-N DR0659 DRUINCHI 1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10) DR0659 CASMILES CCC1(CC(=O)NC1=O)C DR0659 CAS__NUM CAS 77-67-8 DR0659 CHEBINUM 4887 DR0659 PUBCMSID 9708; 110249; 221102; 5235097; 7847605; 7979200; 8149853; 8152091; 10321579; 10535639; 11109647; 11335393; 11360632; 11364279;11366841; 11369403; 11372107; 11374481; 11377565; 11447536; 11461604; 11466193; 11467313; 11485201; 11485686; 11489299; 11490759; 11492865; 11495199; 15219092; 17405095; 24278423; 26612325; 26679258;26747515; 26747516; 29222429; 46507617; 47365063; 47365064; 47440135; 47885289; 48034988; 48110335; 48334365; 48415978; 49698794; 50048516; 50106318; 50106319 DR0660 DRUG__ID DR0660 DR0660 DRUGNAME Ethyl biscoumacetate DR0660 PUBCMCID 54685524 DR0660 DFORMULA C22H16O8 DR0660 INCHIKEY JCLHQFUTFHUXNN-UHFFFAOYSA-N DR0660 DRUINCHI 1S/C22H16O8/c1-2-28-20(25)15(16-18(23)11-7-3-5-9-13(11)29-21(16)26)17-19(24)12-8-4-6-10-14(12)30-22(17)27/h3-10,15,23-24H,2H2,1H3 DR0660 CASMILES CCOC(=O)C(C1=C(C2=CC=CC=C2OC1=O)O)C3=C(C4=CC=CC=C4OC3=O)O DR0660 CAS__NUM CAS 548-00-5 DR0660 CHEBINUM 135659 DR0661 DRUG__ID DR0661 DR0661 DRUGNAME Ethylmorphine DR0661 PUBCMCID 5359271 DR0661 TTDRUGID D0N5QC DR0661 DFORMULA C19H23NO3 DR0661 INCHIKEY OGDVEMNWJVYAJL-LEPYJNQMSA-N DR0661 DRUINCHI 1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1 DR0661 CASMILES CCOC1=C2C3=C(CC4C5C3(CCN4C)C(O2)C(C=C5)O)C=C1 DR0661 CAS__NUM CAS 76-58-4 DR0661 CHEBINUM 4902 DR0661 PUBCMSID 9740; 11653625; 24894676; 39383741; 46505092; 49992909; 50113064; 57361891; 78090903; 96024624; 117442635; 134224401; 134971681; 136183691; 137005109; 137201797; 140040172; 144206163; 160687929; 160964725; 164788459; 198959733; 202826782; 223439637; 226413171; 241138150; 250135382 DR0663 DRUG__ID DR0663 DR0663 DRUGNAME Ethynodiol diacetate DR0663 PUBCMCID 9270 DR0663 TTDRUGID D0R2KY DR0663 DFORMULA C24H32O4 DR0663 INCHIKEY ONKUMRGIYFNPJW-KIEAKMPYSA-N DR0663 DRUINCHI 1S/C24H32O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,14,18-22H,6-13H2,2-4H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1 DR0663 CASMILES CC(=O)OC1CCC2C3CCC4(C(C3CCC2=C1)CCC4(C#C)OC(=O)C)C DR0663 CAS__NUM CAS 297-76-7 DR0663 CHEBINUM 31580 DR0663 PUBCMSID 583113; 7848357; 8139904; 8156628; 11466936; 11468056; 11486691; 14902678; 24702336; 24894643; 29217896; 29227881; 46506993; 47500789; 47870982; 48095779; 48319751; 48413769; 48414261; 48415985; 49699205; 49857373; 50111736; 50648543; 56352901; 57325544; 71822885; 92125722; 103770607; 103914593; 104320059; 121363393; 126688192; 128834236; 131309376; 134224557; 134338135; 134974637; 137009574; 140504082; 144205886; 144206477; 152034671; 160964165; 162177765; 163692857; 164815702; 170464933; 172867017; 175267492 DR0664 DRUG__ID DR0664 DR0664 DRUGNAME Etilamfetamine DR0664 PUBCMCID 9982 DR0664 DFORMULA C11H17N DR0664 INCHIKEY YAGBSNMZQKEFCO-UHFFFAOYSA-N DR0664 DRUINCHI 1S/C11H17N/c1-3-12-10(2)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3 DR0664 CASMILES CCNC(C)CC1=CC=CC=C1 DR0664 CAS__NUM CAS 457-87-4 DR0664 CHEBINUM 134796 DR0665 DRUG__ID DR0665 DR0665 DRUGNAME Etizolam DR0665 PUBCMCID 3307 DR0665 DFORMULA C17H15ClN4S DR0665 INCHIKEY VMZUTJCNQWMAGF-UHFFFAOYSA-N DR0665 DRUINCHI 1S/C17H15ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h4-8H,3,9H2,1-2H3 DR0665 CASMILES CCC1=CC2=C(S1)N3C(=NN=C3CN=C2C4=CC=CC=C4Cl)C DR0665 CAS__NUM CAS 40054-69-1 DR0665 CHEBINUM 31583 DR0666 DRUG__ID DR0666 DR0666 DRUGNAME Etodolac DR0666 PUBCMCID 3308 DR0666 TTDRUGID D0N1WU DR0666 DFORMULA C17H21NO3 DR0666 INCHIKEY NNYBQONXHNTVIJ-UHFFFAOYSA-N DR0666 DRUINCHI 1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20) DR0666 CASMILES CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)O DR0666 CAS__NUM CAS 41340-25-4 DR0666 CHEBINUM 4909 DR0666 PUBCMSID 9204; 143623; 224459; 855612; 5268437; 7847381; 7979205; 8149693; 8152106; 10321309; 11335322; 11360561; 11364138; 11366700; 11369262;11372457; 11373819; 11377424; 11461533; 11466259; 11467379; 11485110; 11485958; 11489203; 11491244; 11492225; 11495058; 12012673; 14824710; 17405042; 24278407; 26612147; 26680024; 26747213; 26747214;29222445; 46505184; 47885271; 47959585; 47959586; 48034967; 48110316; 48184861; 48259079; 48334348; 48413770; 49698757; 49857374; 50105240; 50105241 DR0667 DRUG__ID DR0667 DR0667 DRUGNAME Etonogestrel DR0667 PUBCMCID 6917715 DR0667 TTDRUGID D02KIU DR0667 DFORMULA C22H28O2 DR0667 INCHIKEY GCKFUYQCUCGESZ-BPIQYHPVSA-N DR0667 DRUINCHI 1S/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1 DR0667 CASMILES CCC12CC(=C)C3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34 DR0667 CAS__NUM CAS 54048-10-1 DR0667 CHEBINUM 50777 DR0667 PUBCMSID 12012881; 14752897; 14777213; 17194516; 43529146; 46505321; 47206056; 53789691; 56352980; 57371661; 74860218; 103565890; 114786833; 126686585; 135004061; 136314851; 137005554; 140504091; 144206191; 162262948; 164152391; 164826700; 175268832; 179150591; 193126307; 198993353; 210279789; 210282112; 223365925; 223673211; 226489730; 241094452; 249582869; 252349777 DR0668 DRUG__ID DR0668 DR0668 DRUGNAME Etoperidone DR0668 PUBCMCID 40589 DR0668 DFORMULA C19H28ClN5O DR0668 INCHIKEY IZBNNCFOBMGTQX-UHFFFAOYSA-N DR0668 DRUINCHI 1S/C19H28ClN5O/c1-3-18-21-25(19(26)24(18)4-2)10-6-9-22-11-13-23(14-12-22)17-8-5-7-16(20)15-17/h5,7-8,15H,3-4,6,9-14H2,1-2H3 DR0668 CASMILES CCC1=NN(C(=O)N1CC)CCCN2CCN(CC2)C3=CC(=CC=C3)Cl DR0668 CAS__NUM CAS 52942-31-1 DR0668 CHEBINUM 135589 DR0669 DRUG__ID DR0669 DR0669 DRUGNAME Etoposide DR0669 PUBCMCID 36462 DR0669 TTDRUGID D0B7EB DR0669 DFORMULA C29H32O13 DR0669 INCHIKEY VJJPUSNTGOMMGY-MRVIYFEKSA-N DR0669 DRUINCHI 1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1 DR0669 CASMILES CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O DR0669 CAS__NUM CAS 33419-42-0 DR0669 CHEBINUM 4911 DR0669 PUBCMSID 4733; 597749; 7847193; 7979208; 8145856; 8174504; 11110521; 12013288; 14886949; 14935915; 24278178; 24769897; 34677904; 46386954; 46500626; 46505434; 47362874; 48182835; 48332078; 49681767; 49699016; 49855364; 53787668; 56463308; 57311878; 71825014; 75974183; 85148351; 85788790; 89850276; 92308660; 92308790; 99437037; 104019076;104234176; 104324084; 117664408; 117682510; 119525100; 121363248; 124349593; 124659141; 124757097; 124800231; 124893613; 125163901; 127298729; 127298730; 127298731; 127298732 DR0670 DRUG__ID DR0670 DR0670 DRUGNAME Etoricoxib DR0670 PUBCMCID 123619 DR0670 TTDRUGID D09MGR DR0670 DFORMULA C18H15ClN2O2S DR0670 INCHIKEY MNJVRJDLRVPLFE-UHFFFAOYSA-N DR0670 DRUINCHI 1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3 DR0670 CASMILES CC1=NC=C(C=C1)C2=C(C=C(C=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)C DR0670 CAS__NUM CAS 202409-33-4 DR0670 CHEBINUM 6339 DR0670 PUBCMSID 13883; 6613371; 7979618; 10240801; 12015199; 14828179; 17397801; 26758000; 29303851; 46504505; 49655565; 50065687; 57340488; 58108264; 76715678; 79356674; 85209827; 92309001; 99214846; 99437360; 99443637; 103169851; 103853298; 103965754; 104418927; 118048491; 125536726; 126645211; 126671483; 128620771; 134338025; 135079337; 137001913; 142355996; 144205759; 160964864; 162188900; 163123240; 163414197; 163620860; 163686187; 163849037; 164787972; 170465621; 171579232; 175266728; 175611945; 176484244; 177749312; 178100245 DR0671 DRUG__ID DR0671 DR0671 DRUGNAME Etravirine DR0671 PUBCMCID 193962 DR0671 TTDRUGID D0BP9C DR0671 DFORMULA C20H15BrN6O DR0671 INCHIKEY PYGWGZALEOIKDF-UHFFFAOYSA-N DR0671 DRUINCHI 1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27) DR0671 CASMILES CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)N)NC3=CC=C(C=C3)C#N)C)C#N DR0671 CAS__NUM CAS 269055-15-4 DR0671 CHEBINUM 63589 DR0671 PUBCMSID 642445; 832707; 7885445; 10261828; 12015430; 14856802; 33514683; 47206062; 50755335; 57397726; 58108352; 92765305; 92765307; 93375510; 93619697; 99443662; 103268452; 103999716; 113457302; 118844113; 125346599; 126617154; 126632876; 126665857; 131308179; 134224563; 134338670; 135171617; 135611140; 135693135; 136946574; 136980023; 137006543; 139263775; 143497676; 144115317; 152035774; 152234808; 152258935; 160647779; 160658773; 160968275; 162009794; 162011438; 162200353; 162849709; 163894003; 164831834; 170483270; 170503235 DR0672 DRUG__ID DR0672 DR0672 DRUGNAME Etretinate DR0672 PUBCMCID 5282375 DR0672 TTDRUGID D0B1IP DR0672 DFORMULA C23H30O3 DR0672 INCHIKEY HQMNCQVAMBCHCO-DJRRULDNSA-N DR0672 DRUINCHI 1S/C23H30O3/c1-8-26-23(24)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(25-7)20(6)19(21)5/h9-15H,8H2,1-7H3/b11-9+,13-12+,16-10+,17-14+ DR0672 CASMILES CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(C(=C(C=C1C)OC)C)C DR0672 CAS__NUM CAS 54350-48-0 DR0672 CHEBINUM 4913 DR0672 PUBCMSID 147405; 7847382; 7979209; 8617028; 12013448; 14754444; 24702109; 39315832; 48415995; 49997871; 50112753; 50140619; 56352872; 57358640; 71821675; 92309122; 92716748; 92729647; 93304521; 103167534; 103825409; 113857080; 117577847; 126622714; 126663123; 127324001; 127324002; 131318257; 135002908; 137005793; 137128958; 138097872; 139221756; 144206054; 152029411; 162173068; 164827405; 170465372; 175611923; 176262082; 176484353; 177749313; 179116679; 179225741; 184546000; 198959792; 198992373; 223365934; 223673365; 225039591 DR0673 DRUG__ID DR0673 DR0673 DRUGNAME SC-20713 DR0673 PUBCMCID 14309340 DR0673 DFORMULA C20H28O2 DR0673 INCHIKEY JYILPERKVHXLNF-UHFFFAOYSA-N DR0673 DRUINCHI 1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,14-18,21-22H,4-11H2,2H3 DR0673 CASMILES CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(CCC34)O DR0673 CAS__NUM CAS 1231-93-2 DR0674 DRUG__ID DR0674 DR0674 DRUGNAME Everolimus DR0674 PUBCMCID 6442177 DR0674 TTDRUGID D0K3QS DR0674 DFORMULA C53H83NO14 DR0674 INCHIKEY HKVAMNSJSFKALM-GKUWKFKPSA-N DR0674 DRUINCHI 1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1 DR0674 CASMILES CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OCCO)C)C)O)OC)C)C)C)OC DR0674 CAS__NUM CAS 159351-69-6 DR0674 CHEBINUM 68478 DR0674 PUBCMSID 12014881; 14767667; 14865574; 50044230; 50112765; 56311446; 56312241; 56312580; 56313164; 91613187; 104178966; 134338463; 135156085; 136340120; 136929859; 137140572; 139754909; 143493384; 144206063; 151990396; 152236848; 152258132; 160645716; 160646971; 162189189; 174527790; 175265707; 177748738; 179150022; 203355779; 226396389 DR0675 DRUG__ID DR0675 DR0675 DRUGNAME Exemestane DR0675 PUBCMCID 60198 DR0675 TTDRUGID D0D2VS DR0675 DFORMULA C20H24O2 DR0675 INCHIKEY BFYIZQONLCFLEV-DAELLWKTSA-N DR0675 DRUINCHI 1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1 DR0675 CASMILES CC12CCC3C(C1CCC2=O)CC(=C)C4=CC(=O)C=CC34C DR0675 CAS__NUM CAS 107868-30-4 DR0675 CHEBINUM 4953 DR0675 PUBCMSID 10362; 532118; 7848026; 7978495; 8186720; 11528610; 12014009; 14898201; 14922734; 26719821; 43117629;46386592; 46508243; 47734117; 48415996; 49681613; 53787997; 57313998; 71825450; 76229105; 92308414; 92712532; 99436932; 99437373; 103770357; 104320132; 117585772; 118043418; 119525530; 124658984; 124757072; 125163876; 126608810; 126630089; 126666059; 127510064; 134337915; 135260226; 135724569; 136367947; 136903807; 136946607; 137005560; 137230761; 141857635; 144115969; 144205052; 151979532; 152034580; 152164568 DR0676 DRUG__ID DR0676 DR0676 DRUGNAME Exenatide DR0676 PUBCMCID 16157882 DR0676 TTDRUGID D00YVF DR0676 DFORMULA C184H282N50O60S DR0676 INCHIKEY HTQBXNHDCUEHJF-XWLPCZSASA-N DR0676 DRUINCHI 1S/C184H282N50O60S/c1-16-94(10)147(178(289)213-114(52-58-144(257)258)163(274)218-121(73-101-77-195-105-39-24-23-38-103(101)105)168(279)215-116(68-90(2)3)165(276)205-107(41-26-28-61-186)158(269)219-122(75-134(189)243)154(265)198-79-135(244)196-83-139(248)231-63-30-43-129(231)175(286)225-127(87-238)174(285)223-125(85-236)155(266)200-80-136(245)202-96(12)181(292)233-65-32-45-131(233)183(294)234-66-33-46-132(234)182(293)232-64-31-44-130(232)176(287)222-124(84-235)150(190)261)229-170(281)119(71-99-34-19-17-20-35-99)217-166(277)117(69-91(4)5)214-159(270)108(42-29-62-194-184(191)192)212-177(288)146(93(8)9)228-151(262)95(11)203-156(267)111(49-55-141(251)252)208-161(272)112(50-56-142(253)254)209-162(273)113(51-57-143(255)256)210-164(275)115(59-67-295-15)211-160(271)110(47-53-133(188)242)207-157(268)106(40-25-27-60-185)206-172(283)126(86-237)224-167(278)118(70-92(6)7)216-169(280)123(76-145(259)260)220-173(284)128(88-239)226-180(291)149(98(14)241)230-171(282)120(72-100-36-21-18-22-37-100)221-179(290)148(97(13)240)227-138(247)82-199-153(264)109(48-54-140(249)250)204-137(246)81-197-152(263)104(187)74-102-78-193-89-201-102/h17-24,34-39,77-78,89-98,104,106-132,146-149,195,235-241H,16,25-33,40-76,79-88,185-187H2,1-15H3,(H2,188,242)(H2,189,243)(H2,190,261)(H,193,201)(H,196,244)(H,197,263)(H,198,265)(H,199,264)(H,200,266)(H,202,245)(H,203,267)(H,204,246)(H,205,276)(H,206,283)(H,207,268)(H,208,272)(H,209,273)(H,210,275)(H,211,271)(H,212,288)(H,213,289)(H,214,270)(H,215,279)(H,216,280)(H,217,277)(H,218,274)(H,219,269)(H,220,284)(H,221,290)(H,222,287)(H,223,285)(H,224,278)(H,225,286)(H,226,291)(H,227,247)(H,228,262)(H,229,281)(H,230,282)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H4,191,192,194)/t94-,95-,96-,97+,98+,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,146-,147-,148-,149-/m0/s1 DR0676 CASMILES CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NCC(=O)NCC(=O)N3CCCC3C(=O)NC(CO)C(=O)NC(CO)C(=O)NCC(=O)NC(C)C(=O)N4CCCC4C(=O)N5CCCC5C(=O)N6CCCC6C(=O)NC(CO)C(=O)N)NC(=O)C(CC7=CC=CC=C7)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CCC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC8=CC=CC=C8)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(CC9=CN=CN9)N DR0676 CAS__NUM CAS 141758-74-9 DR0676 CHEBINUM 135904 DR0676 PUBCMSID 103529204; 126665096; 126681942; 223659015 DR0677 DRUG__ID DR0677 DR0677 DRUGNAME Ezetimibe DR0677 PUBCMCID 150311 DR0677 TTDRUGID D09LWS DR0677 DFORMULA C24H21F2NO3 DR0677 INCHIKEY OLNTVTPDXPETLC-XPWALMASSA-N DR0677 DRUINCHI 1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1 DR0677 CASMILES C1=CC(=CC=C1C2C(C(=O)N2C3=CC=C(C=C3)F)CCC(C4=CC=C(C=C4)F)O)O DR0677 CAS__NUM CAS 163222-33-1 DR0677 CHEBINUM 49040 DR0677 PUBCMSID 7849028; 10250673; 11528896; 12014979; 14879623; 14928749; 26719841; 46226990; 46386640; 46507625; 49681809; 49693660; 50539938; 53787196; 57347010; 71821424; 81146074; 92308446; 92718207; 103326446; 104179182; 104253290; 104428106; 117884262; 124658886; 124757411; 124801398; 125164215; 126592989; 126621626; 126653456; 126667079; 127315811; 127315812; 127315813; 127315814; 127315815; 127315816; 127315817; 127315818; 127315819; 127315820; 127315821; 127315822; 127315823; 127315824; 128826430; 131854738; 134338005; 135107180 DR0679 DRUG__ID DR0679 DR0679 DRUGNAME Famciclovir DR0679 PUBCMCID 3324 DR0679 TTDRUGID D0VT8P DR0679 DFORMULA C14H19N5O4 DR0679 INCHIKEY GGXKWVWZWMLJEH-UHFFFAOYSA-N DR0679 DRUINCHI 1S/C14H19N5O4/c1-9(20)22-6-11(7-23-10(2)21)3-4-19-8-17-12-5-16-14(15)18-13(12)19/h5,8,11H,3-4,6-7H2,1-2H3,(H2,15,16,18) DR0679 CASMILES CC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)COC(=O)C DR0679 CAS__NUM CAS 104227-87-4 DR0679 CHEBINUM 4974 DR0679 PUBCMSID 626303; 5276651; 7847383; 7979216; 8152111; 11363360; 11365922; 11368484; 11372808; 11374301; 11376646; 11484938; 11488917; 11491490; 11492426; 11494280; 11528705; 12013946; 14899331; 26612822; 26680213; 26719883; 26748972; 26748973; 26758694; 29222459; 46386745; 46507561; 47291220; 47515410; 48415997; 49681753; 50107498; 52712677; 53800778; 56313627; 57321725; 68530529; 81092805; 85173809; 85787983; 92124793; 92308042; 92308372; 92309126; 92710468; 103158204; 103231964; 104253634; 104303176 DR0680 DRUG__ID DR0680 DR0680 DRUGNAME Famotidine DR0680 PUBCMCID 5702160 DR0680 TTDRUGID D0K0OZ DR0680 DFORMULA C8H15N7O2S3 DR0680 INCHIKEY XUFQPHANEAPEMJ-UHFFFAOYSA-N DR0680 DRUINCHI 1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14) DR0680 CASMILES C1=CC(=C(C(=C1)Cl)C=NN=C(N)N)Cl DR0680 CAS__NUM CAS 76824-35-6 DR0680 CHEBINUM 4975 DR0680 PUBCMSID 219459; 855518; 7847384; 7979217; 10321312; 11111194; 11111195; 11736775; 12013748; 14777800; 14900130; 14900131; 17405060; 24278442; 26719681; 26753575; 46386903; 47350438; 47425376; 47721689; 47957418; 48108291; 48244468; 48407560; 48415998; 49681730; 49698346; 49835099; 49846705; 50022089; 50100994; 50100995; 50106279; 50106280; 53777603; 57364911; 76715592; 77320398; 81093272; 85211955; 85220228; 85231052; 87558227; 90340682; 90501992; 91704175; 92125054; 92303791; 92308237; 92308848 DR0681 DRUG__ID DR0681 DR0681 DRUGNAME Febuxostat DR0681 PUBCMCID 134018 DR0681 TTDRUGID D0A5SE DR0681 DFORMULA C16H16N2O3S DR0681 INCHIKEY BQSJTQLCZDPROO-UHFFFAOYSA-N DR0681 DRUINCHI 1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20) DR0681 CASMILES CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O DR0681 CAS__NUM CAS 144060-53-7 DR0681 CHEBINUM 31596 DR0681 PUBCMSID 827254; 4484625; 7848269; 7890737; 10243499; 12014717; 14899120; 29311812; 46506708; 50064429; 53197612; 57344764;92719385; 93307960; 99431926; 103765728; 104142020; 104253203; 104381153; 118047349; 119526879; 121362144; 124757329; 124893781; 125001903; 125164133; 125645402; 126620851; 126652673; 126667078; 127554532; 134338644; 135089359; 135565727; 135692175; 135697551; 135723459; 136367945; 136920430; 137171680; 141631602; 144075735; 144115972; 144206555; 151981114; 152227348; 152258563; 152344198; 160647398; 160813538 DR0683 DRUG__ID DR0683 DR0683 DRUGNAME Fedratinib hydrochloride DR0683 PUBCMCID 67517580 DR0683 DFORMULA C27H40Cl2N6O4S DR0683 INCHIKEY QAFZLTVOFJHYDF-UHFFFAOYSA-N DR0683 DRUINCHI 1S/C27H36N6O3S.2ClH.H2O/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4;;;/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31);2*1H;1H2 DR0683 CASMILES CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4.O.Cl.Cl DR0683 CAS__NUM CAS 1374744-69-0 DR0684 DRUG__ID DR0684 DR0684 DRUGNAME Felbamate DR0684 PUBCMCID 3331 DR0684 TTDRUGID D05KON DR0684 DFORMULA C11H14N2O4 DR0684 INCHIKEY WKGXYQFOCVYPAC-UHFFFAOYSA-N DR0684 DRUINCHI 1S/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15) DR0684 CASMILES C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N DR0684 CAS__NUM CAS 25451-15-4 DR0684 CHEBINUM 4995 DR0684 PUBCMSID 9704; 855835; 5299270; 7847602; 7979218; 8152115; 10515801; 11111171; 11113343; 11466947; 11528708; 12013710; 15196364; 17405087;24277968; 26751526; 29222466; 46506375; 47589157; 47589158; 47662483; 48414310; 48416000; 50100240; 50104096; 50104097; 51299026; 53777630; 56422162; 57321729; 68530567; 81041130; 85231043; 85787789;87350372; 90340922; 92304030; 92308149; 93166621; 99437094; 103158205; 103303660; 104171154; 104303197; 118317932; 121361313; 124749781; 124772217; 124800850; 124880084 DR0685 DRUG__ID DR0685 DR0685 DRUGNAME Felodipine DR0685 PUBCMCID 3333 DR0685 TTDRUGID D0WN0U DR0685 DFORMULA C18H19Cl2NO4 DR0685 INCHIKEY RZTAMFZIAATZDJ-UHFFFAOYSA-N DR0685 DRUINCHI 1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3 DR0685 CASMILES CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C DR0685 CAS__NUM CAS 72509-76-3 DR0685 CHEBINUM 585948 DR0685 PUBCMSID 856004; 5309057; 7847385; 7979219; 8152117; 10321744; 11466506; 11467626; 11486291; 11528719; 12012613; 14927301; 16960569; 17405071; 24278449; 29222468; 46506968; 47509540; 47656605; 47879634; 48179244; 48328566; 48416001; 49698512; 50106289; 50106290; 53777614; 53788382; 56423042; 56424130; 56463217; 56463516; 57321731; 78292296; 85231057; 85788575; 87351806; 90340828; 92125582; 92303867; 92308861; 92711325; 93166891; 99453448; 103024636; 103543150; 103856247; 103914230; 104170219; 104253409 DR0686 DRUG__ID DR0686 DR0686 DRUGNAME Fendiline DR0686 PUBCMCID 3336 DR0686 TTDRUGID D02FEA DR0686 DFORMULA C23H25N DR0686 INCHIKEY NMKSAYKQLCHXDK-UHFFFAOYSA-N DR0686 DRUINCHI 1S/C23H25N/c1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23-24H,17-18H2,1H3 DR0686 CASMILES CC(C1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3 DR0686 CAS__NUM CAS 13042-18-7 DR0686 CHEBINUM 94434 DR0687 DRUG__ID DR0687 DR0687 DRUGNAME Fenethylline DR0687 PUBCMCID 19527 DR0687 DFORMULA C18H23N5O2 DR0687 INCHIKEY NMCHYWGKBADVMK-UHFFFAOYSA-N DR0687 DRUINCHI 1S/C18H23N5O2/c1-13(11-14-7-5-4-6-8-14)19-9-10-23-12-20-16-15(23)17(24)22(3)18(25)21(16)2/h4-8,12-13,19H,9-11H2,1-3H3 DR0687 CASMILES CC(CC1=CC=CC=C1)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C DR0687 CAS__NUM CAS 3736-08-1 DR0687 CHEBINUM 135451 DR0688 DRUG__ID DR0688 DR0688 DRUGNAME Fenofibrate DR0688 PUBCMCID 3339 DR0688 TTDRUGID D07XGR DR0688 DFORMULA C20H21ClO4 DR0688 INCHIKEY YMTINGFKWWXKFG-UHFFFAOYSA-N DR0688 DRUINCHI 1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3 DR0688 CASMILES CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl DR0688 CAS__NUM CAS 49562-28-9 DR0688 CHEBINUM 5001 DR0688 PUBCMSID 9788; 143271; 855565; 3718278; 5309234; 7847631; 7979221; 8149697; 8152122; 10321317; 10852041; 11111181; 11111182; 11335732; 11360971; 11364144; 11366706; 11369268; 11372481; 11373845; 11377430; 11461943; 11466303; 11467423; 11485116; 11486105; 11489206; 11491246; 11492228; 11495064; 11528711; 11533532; 14901407; 17405049; 22395205; 24278015; 26612151; 26680406; 26746914; 26746915; 26751450; 29222474; 46507371; 47291103; 47291104; 47365158; 47515293; 47662254; 47736448; 47810726 DR0690 DRUG__ID DR0690 DR0690 DRUGNAME Fentanyl citrate DR0690 PUBCMCID 13810 DR0690 TTDRUGID D0E1WI DR0690 DFORMULA C28H36N2O8 DR0690 INCHIKEY IVLVTNPOHDFFCJ-UHFFFAOYSA-N DR0690 DRUINCHI 1S/C22H28N2O.C6H8O7/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-12,21H,2,13-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) DR0690 CASMILES CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O DR0690 CAS__NUM CAS 990-73-8 DR0690 CHEBINUM 31602 DR0693 DRUG__ID DR0693 DR0693 DRUGNAME Fesoterodine DR0693 PUBCMCID 6918558 DR0693 TTDRUGID D00BLL DR0693 DFORMULA C26H37NO3 DR0693 INCHIKEY DCCSDBARQIPTGU-HSZRJFAPSA-N DR0693 DRUINCHI 1S/C26H37NO3/c1-18(2)26(29)30-25-13-12-21(17-28)16-24(25)23(22-10-8-7-9-11-22)14-15-27(19(3)4)20(5)6/h7-13,16,18-20,23,28H,14-15,17H2,1-6H3/t23-/m1/s1 DR0693 CASMILES CC(C)C(=O)OC1=C(C=C(C=C1)CO)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2 DR0693 CAS__NUM CAS 286930-03-8 DR0693 CHEBINUM 135920 DR0693 PUBCMSID 14781939; 17194959; 43529928; 51091564; 57371974; 74911026; 99443256; 114788164; 126633314; 126665680; 126666536; 127713256; 135215466; 137147467; 142600549; 151981129; 160682498; 160967872; 164841556; 174006830; 175268192; 176485080; 187051776; 210276627; 223666877; 224399961; 226492628; 241054700; 242587777; 252448583; 252552193 DR0695 DRUG__ID DR0695 DR0695 DRUGNAME Finasteride DR0695 PUBCMCID 57363 DR0695 TTDRUGID D08IWD DR0695 DFORMULA C23H36N2O2 DR0695 INCHIKEY DBEPLOCGEIEOCV-WSBQPABSSA-N DR0695 DRUINCHI 1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1 DR0695 CASMILES CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C DR0695 CAS__NUM CAS 98319-26-7 DR0695 CHEBINUM 5062 DR0695 PUBCMSID 7847387; 7979227; 8185196; 11466745; 11467865; 11486590; 11528597; 11533303; 12014292; 12146021; 14779683; 14926633; 24724479; 24861022; 25819911; 26719811; 43115066; 46386559; 46507645; 47424400; 47646719; 48094722; 48394119; 48413780; 48416011; 49666458; 49681675; 49699149; 53790828; 56313630; 57313897; 57649138; 74382929; 75258634; 85788501; 91146246; 92125899; 92308339; 92309138; 99437022; 99444245; 103194727; 103914483; 103975037; 104312468; 117571916; 118048887; 121363570; 124658933; 124757073 DR0696 DRUG__ID DR0696 DR0696 DRUGNAME Fingolimod DR0696 PUBCMCID 107970 DR0696 TTDRUGID D07UHS DR0696 DFORMULA C19H33NO2 DR0696 INCHIKEY KKGQTZUTZRNORY-UHFFFAOYSA-N DR0696 DRUINCHI 1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3 DR0696 CASMILES CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N DR0696 CAS__NUM CAS 162359-55-9 DR0696 CHEBINUM 63115 DR0696 PUBCMSID 7980354; 10627340; 11538030; 14800795; 44436888; 50070757; 52231945; 91613352; 103298437; 104045114; 104380165; 112629137; 124899206; 125335078; 126522750; 126659901; 126665797; 128394615; 134339282; 135204658; 135626722; 135650261; 137003753; 140236536; 152344348; 160820803; 162221744; 163091250;163838506; 164834614; 174006739; 175268765; 175426965; 175427125; 184527777; 204414213; 210274752; 210280385; 223660888; 223770775; 226398832; 242078815; 249836440; 251873579; 251916753; 251917992; 252214240; 252433026; 252478872 DR0697 DRUG__ID DR0697 DR0697 DRUGNAME Fingolimod hydrochloride DR0697 PUBCMCID 107969 DR0697 TTDRUGID D0HI1K DR0697 DFORMULA C19H34ClNO2 DR0697 INCHIKEY SWZTYAVBMYWFGS-UHFFFAOYSA-N DR0697 DRUINCHI 1S/C19H33NO2.ClH/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22;/h9-12,21-22H,2-8,13-16,20H2,1H3;1H DR0697 CASMILES CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N.Cl DR0697 CAS__NUM CAS 162359-56-0 DR0697 CHEBINUM 63112 DR0697 PUBCMSID 10234529; 12014880; 14900483; 26758737; 44436887; 47206133; 50021117; 53600034; 53800768; 57338355; 85171085; 92719820; 98528441; 99300584; 99436939; 103669455; 104380162; 109692984; 117672600; 118842531; 124757869; 124772071; 125164672; 125342329; 126522748; 126628080; 126648547; 126666984; 126731322; 134339028; 134339285; 134964386; 135066165; 135727426; 136345852; 136367507; 136367937; 136920394; 136964585; 137065890; 143493393; 144115996; 152233650; 152258330; 160647169; 162011674; 162037993; 162185346; 163378868;163688106 DR0700 DRUG__ID DR0700 DR0700 DRUGNAME Flecainide acetate DR0700 PUBCMCID 41022 DR0700 TTDRUGID D03DAP DR0700 DFORMULA C19H24F6N2O5 DR0700 INCHIKEY RKXNZRPQSOPPRN-UHFFFAOYSA-N DR0700 DRUINCHI 1S/C17H20F6N2O3.C2H4O2/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11;1-2(3)4/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26);1H3,(H,3,4) DR0700 CASMILES CC(=O)O.C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F DR0700 CAS__NUM CAS 54143-56-5 DR0700 CHEBINUM 5091 DR0701 DRUG__ID DR0701 DR0701 DRUGNAME Flibanserin DR0701 PUBCMCID 6918248 DR0701 TTDRUGID D0S9CB DR0701 DFORMULA C20H21F3N4O DR0701 INCHIKEY PPRRDFIXUUSXRA-UHFFFAOYSA-N DR0701 DRUINCHI 1S/C20H21F3N4O/c21-20(22,23)15-4-3-5-16(14-15)26-11-8-25(9-12-26)10-13-27-18-7-2-1-6-17(18)24-19(27)28/h1-7,14H,8-13H2,(H,24,28) DR0701 CASMILES C1CN(CCN1CCN2C3=CC=CC=C3NC2=O)C4=CC=CC(=C4)C(F)(F)F DR0701 CAS__NUM CAS 167933-07-5 DR0701 CHEBINUM 90865 DR0701 PUBCMSID 12014794; 14805189; 17194769; 17396748; 43529631; 50502868; 57371851; 85210078; 103527157; 109693339; 114787677; 128950413; 131301443; 134339283; 135083608; 137061555; 137255793; 142466182; 163884610; 164833020; 175426897; 175437953; 198977406; 198991596; 203355698; 226597215; 244182240; 249565862; 252160198 DR0702 DRUG__ID DR0702 DR0702 DRUGNAME Flosequinan DR0702 PUBCMCID 4474062 DR0702 TTDRUGID D0MP1C DR0702 DFORMULA C11H10FNO2S DR0702 INCHIKEY UYGONJYYUKVHDD-UHFFFAOYSA-N DR0702 DRUINCHI 1S/C11H10FNO2S/c1-13-6-10(16(2)15)11(14)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3 DR0702 CASMILES CN1C=C(C(=O)C2=C1C=C(C=C2)F)S(=O)C DR0702 CAS__NUM CAS 76568-02-0 DR0702 CHEBINUM 134972 DR0703 DRUG__ID DR0703 DR0703 DRUGNAME Flucloxacillin DR0703 PUBCMCID 21319 DR0703 TTDRUGID D0Q2AT DR0703 DFORMULA C19H17ClFN3O5S DR0703 INCHIKEY UIOFUWFRIANQPC-JKIFEVAISA-N DR0703 DRUINCHI 1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1 DR0703 CASMILES CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O DR0703 CAS__NUM CAS 5250-39-5 DR0703 CHEBINUM 5098 DR0703 PUBCMSID 13913; 592659; 8165699; 11406647; 14833460; 15478401; 29288717; 46508276; 47206142; 48416015; 50064858; 57304807;57330858; 77367777; 81065485; 103510783; 104133797; 104352937; 117541883; 124766224; 134338408; 134984533; 135968014; 137003738; 137272193; 160849692; 160963649; 162173005; 163413556; 163848983; 175442217; 179316780; 196392852; 198978091; 223557234; 223672511; 226395928; 251912553; 251916662 DR0704 DRUG__ID DR0704 DR0704 DRUGNAME Fluconazole DR0704 PUBCMCID 3365 DR0704 TTDRUGID D09LNI DR0704 DFORMULA C13H12F2N6O DR0704 INCHIKEY RFHAOTPXVQNOHP-UHFFFAOYSA-N DR0704 DRUINCHI 1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 DR0704 CASMILES C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O DR0704 CAS__NUM CAS 86386-73-4 DR0704 CHEBINUM 46081 DR0704 PUBCMSID 596175; 604503; 649080; 842010; 5329899; 7847388; 7890846; 7979232; 8150102; 8152140; 11336205; 11361444; 11364548; 11367110; 11369672; 11373103; 11373499; 11377834; 11462416; 11485349; 11489423; 11491727; 11491905; 11495468; 12013592; 14849790; 24724485; 25819912; 26612568; 26680134; 26697093; 26748877; 26748878; 26753743; 29222500; 46499870; 46505735; 47193701; 47216862; 47810843; 48035227; 48413782; 49665806; 49666152; 49815674; 49835432; 49855965; 50086001; 50107476; 53788618 DR0705 DRUG__ID DR0705 DR0705 DRUGNAME Fludrocortisone DR0705 PUBCMCID 31378 DR0705 TTDRUGID D0R7JT DR0705 DFORMULA C21H29FO5 DR0705 INCHIKEY AAXVEMMRQDVLJB-BULBTXNYSA-N DR0705 DRUINCHI 1S/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1 DR0705 CASMILES CC12CCC(=O)C=C1CCC3C2(C(CC4(C3CCC4(C(=O)CO)O)C)O)F DR0705 CAS__NUM CAS 127-31-1 DR0705 CHEBINUM 50885 DR0705 PUBCMSID 9217; 76336; 7891224; 7979235; 8172141; 10321611; 15375738; 24702328; 34673521; 46508616; 46508716; 48416020; 50019673; 50125791; 50864760; 56352851; 57311202; 71831474; 85286070; 96024662; 104234355; 104310733; 117567350; 123059725; 126651363; 126687973; 127307282; 127379594; 134338350; 135269929; 135650268; 137003338; 139326855; 144080988; 144206253; 144206895; 160963328; 160964032; 162176728; 164841599; 170464959; 175266519; 179214416; 196108113; 196404089; 223657072; 226396521; 249910373 DR0707 DRUG__ID DR0707 DR0707 DRUGNAME Flumethasone DR0707 PUBCMCID 16490 DR0707 DFORMULA C22H28F2O5 DR0707 INCHIKEY WXURHACBFYSXBI-GQKYHHCASA-N DR0707 DRUINCHI 1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1 DR0707 CASMILES CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C)F DR0707 CAS__NUM CAS 2135-17-3 DR0707 CHEBINUM 34764 DR0708 DRUG__ID DR0708 DR0708 DRUGNAME Flunarizine DR0708 PUBCMCID 941361 DR0708 TTDRUGID D05CEU DR0708 DFORMULA C26H26F2N2 DR0708 INCHIKEY SMANXXCATUTDDT-QPJJXVBHSA-N DR0708 DRUINCHI 1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+ DR0708 CASMILES C1CN(CCN1CC=CC2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F DR0708 CAS__NUM CAS 52468-60-7 DR0708 CHEBINUM 92209 DR0708 PUBCMSID 7979238; 9208288; 10525243; 14879384; 26751607; 26751608; 44891609; 46507129; 47216516; 47216517; 47439976; 47515052; 47515053;47515054; 47515055; 47588728; 47588729; 47736197; 48184716; 49698432; 50011452; 50104264; 50104265; 56365814; 57408889; 80028030; 81093273; 85787717; 85788409; 85788604; 90341204; 92308837; 92309757;92711460; 96024666; 99300671; 99302189; 103050123; 103096316; 103153578; 103199419; 103928970; 104179181; 110096637; 117509719; 124526360; 124749784; 124883264; 124883265; 124883266 DR0710 DRUG__ID DR0710 DR0710 DRUGNAME Flunisolide DR0710 PUBCMCID 82153 DR0710 TTDRUGID D0FM2P DR0710 DFORMULA C24H31FO6 DR0710 INCHIKEY XSFJVAJPIHIPKU-XWCQMRHXSA-N DR0710 DRUINCHI 1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1 DR0710 CASMILES CC1(OC2CC3C4CC(C5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C)F)C DR0710 CAS__NUM CAS 3385-03-3 DR0710 CHEBINUM 5106 DR0712 DRUG__ID DR0712 DR0712 DRUGNAME Flunitrazepam DR0712 PUBCMCID 3380 DR0712 TTDRUGID D0W2NM DR0712 DFORMULA C16H12FN3O3 DR0712 INCHIKEY PPTYJKAXVCCBDU-UHFFFAOYSA-N DR0712 DRUINCHI 1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3 DR0712 CASMILES CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F DR0712 CAS__NUM CAS 1622-62-4 DR0712 CHEBINUM 31622 DR0712 PUBCMSID 529943; 5367816; 6018772; 7848293; 7849646; 8150136; 8152151; 10509780; 11336156; 11361395; 11462367; 15494069; 24894993; 29222515; 46504553; 47291209; 48416024; 49884241; 53786877; 56413166; 57321765; 71821460; 79315430; 99302069; 103174540; 104303344; 109613212; 126691439; 128950759; 128950760; 131300954; 134338207; 134961908; 134979679; 136949637; 137002941; 141004720; 143054817; 160839433; 160964789; 162956355; 163402580; 164788746; 178101010; 178101176; 179148568; 184547588; 196104471; 198960206; 198991798 DR0713 DRUG__ID DR0713 DR0713 DRUGNAME Fluocinolone acetonide DR0713 PUBCMCID 6215 DR0713 TTDRUGID D02QJH DR0713 DFORMULA C24H30F2O6 DR0713 INCHIKEY FEBLZLNTKCEFIT-VSXGLTOVSA-N DR0713 DRUINCHI 1S/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1 DR0713 CASMILES CC1(OC2CC3C4CC(C5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)F)C DR0713 CAS__NUM CAS 67-73-2 DR0713 CHEBINUM 31623 DR0713 PUBCMSID 221901; 398387; 855535; 7848887; 8153903; 11446394; 12173607; 14906599; 14931123; 24894978; 25653430; 29225213; 46506244; 50019426; 56422130; 57288777; 57323264; 57654197; 78519291; 87560013; 92309170; 92717058; 103261079; 103804966; 104170060; 104253637; 104311430; 117585830; 121362472; 124799361; 126592956; 126622532; 126654102; 131465784; 134222020; 134338094; 134970880; 136166211; 137004589; 139809249; 144204420; 144212681; 152102563; 160843984; 160963936; 170464630; 172080685; 174530283; 175266910; 175612171 DR0714 DRUG__ID DR0714 DR0714 DRUGNAME Fluocinonide DR0714 PUBCMCID 9642 DR0714 TTDRUGID D03ZZK DR0714 DFORMULA C26H32F2O7 DR0714 INCHIKEY WJOHZNCJWYWUJD-IUGZLZTKSA-N DR0714 DRUINCHI 1S/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,23-,24-,25-,26+/m0/s1 DR0714 CASMILES CC(=O)OCC(=O)C12C(CC3C1(CC(C4(C3CC(C5=CC(=O)C=CC54C)F)F)O)C)OC(O2)(C)C DR0714 CAS__NUM CAS 356-12-7 DR0714 CHEBINUM 5109 DR0714 PUBCMSID 9220; 855724; 7847391; 7979242; 8156926; 10321975; 11466802; 11467922; 11486523; 12173604; 14835368; 14933065; 25654074; 29228218; 46504523; 47276849; 47500781; 47945071; 48395149; 49698636; 50019429; 50104032; 57325738; 78820947; 85787530; 92125814; 92717057; 99368359; 103556997; 103914444; 104170119; 104321094; 121362590; 121363485; 124758677; 124800848; 126628971; 126654105; 127307277; 134224335; 134337717; 134973110; 135692551; 135984719; 137005250; 139999927; 144115989; 144203989; 152035935; 152344176 DR0715 DRUG__ID DR0715 DR0715 DRUGNAME BRN-3122594 DR0715 PUBCMCID 9053 DR0715 DFORMULA C22H29FO4 DR0715 INCHIKEY GAKMQHDJQHZUTJ-ULHLPKEOSA-N DR0715 DRUINCHI 1S/C22H29FO4/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-21(15,2)20(13)17(26)9-22(14,3)19(11)18(27)10-24/h4-5,7,11,13-14,16-17,19-20,24,26H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20-,21+,22+/m1/s1 DR0715 CASMILES CC1CC2C3CC(C4=CC(=O)C=CC4(C3C(CC2(C1C(=O)CO)C)O)C)F DR0715 CAS__NUM CAS 152-97-6 DR0715 CHEBINUM 135581 DR0716 DRUG__ID DR0716 DR0716 DRUGNAME Fluorometholone DR0716 PUBCMCID 9878 DR0716 TTDRUGID D0P0HT DR0716 DFORMULA C22H29FO4 DR0716 INCHIKEY FAOZLTXFLGPHNG-KNAQIMQKSA-N DR0716 DRUINCHI 1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1 DR0716 CASMILES CC1CC2C3CCC(C3(CC(C2(C4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O DR0716 CAS__NUM CAS 426-13-1 DR0716 CHEBINUM 31625 DR0716 PUBCMSID 91286; 220404; 855588; 7848430; 7979244; 8157129; 10321327; 11407278; 11466746; 11467866; 11486592; 14804353; 14902232; 24894996; 29228436; 46505984; 47572923; 47794581; 48393458; 48393459; 49698623; 50019438; 50103940; 50990491; 53786931; 56422125; 57325845; 71822899; 85788043; 87570182; 92125901; 92720066; 99368351; 103770583; 103913807; 104321775; 121363572; 124800816; 126620397; 134338309; 134973988; 135898484; 137008630; 144203991; 144212910; 152034527; 160963672; 162175073; 163835781; 170464629 DR0720 DRUG__ID DR0720 DR0720 DRUGNAME Fluoxetine hydrochloride DR0720 PUBCMCID 62857 DR0720 TTDRUGID D0TR5X DR0720 DFORMULA C17H19ClF3NO DR0720 INCHIKEY GIYXAJPCNFJEHY-UHFFFAOYSA-N DR0720 DRUINCHI 1S/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H DR0720 CASMILES CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl DR0720 CAS__NUM CAS 56296-78-7 DR0720 CHEBINUM 145458 DR0722 DRUG__ID DR0722 DR0722 DRUGNAME Fluphenazine decanoate DR0722 PUBCMCID 3388 DR0722 TTDRUGID D03NTJ DR0722 DFORMULA C32H44F3N3O2S DR0722 INCHIKEY VIQCGTZFEYDQMR-UHFFFAOYSA-N DR0722 DRUINCHI 1S/C32H44F3N3O2S/c1-2-3-4-5-6-7-8-14-31(39)40-24-23-37-21-19-36(20-22-37)17-11-18-38-27-12-9-10-13-29(27)41-30-16-15-26(25-28(30)38)32(33,34)35/h9-10,12-13,15-16,25H,2-8,11,14,17-24H2,1H3 DR0722 CASMILES CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F DR0722 CAS__NUM CAS 5002-47-1 DR0722 CHEBINUM 5124 DR0722 PUBCMSID 10157; 442284; 5367841; 7847858; 8152159; 16865942; 29222523; 48416028; 49960438; 57321771; 75108673; 88771022; 103770837; 103821152; 104303368; 108136249; 117505029; 126674203; 129480527; 134223143; 134338575; 134338624; 134986213; 141522722; 142679208; 144227482; 162172916; 163134728; 175266897; 179225767; 221672973; 223671476; 223704746; 226426349; 241102944 DR0723 DRUG__ID DR0723 DR0723 DRUGNAME Fluphenazine enanthate DR0723 PUBCMCID 3389 DR0723 TTDRUGID D0P5SA DR0723 DFORMULA C29H38F3N3O2S DR0723 INCHIKEY LRWSFOSWNAQHHW-UHFFFAOYSA-N DR0723 DRUINCHI 1S/C29H38F3N3O2S/c1-2-3-4-5-11-28(36)37-21-20-34-18-16-33(17-19-34)14-8-15-35-24-9-6-7-10-26(24)38-27-13-12-23(22-25(27)35)29(30,31)32/h6-7,9-10,12-13,22H,2-5,8,11,14-21H2,1H3 DR0723 CASMILES CCCCCCC(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F DR0723 CAS__NUM CAS 2746-81-8 DR0723 CHEBINUM 5125 DR0725 DRUG__ID DR0725 DR0725 DRUGNAME Fluprednisolone DR0725 PUBCMCID 5876 DR0725 TTDRUGID D0V9DZ DR0725 DFORMULA C21H27FO5 DR0725 INCHIKEY MYYIMZRZXIQBGI-HVIRSNARSA-N DR0725 DRUINCHI 1S/C21H27FO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h3,5,7,12-13,15-16,18,23,25,27H,4,6,8-10H2,1-2H3/t12-,13-,15-,16-,18+,19-,20-,21-/m0/s1 DR0725 CASMILES CC12CC(C3C(C1CCC2(C(=O)CO)O)CC(C4=CC(=O)C=CC34C)F)O DR0725 CAS__NUM CAS 53-34-9 DR0725 CHEBINUM 34474 DR0727 DRUG__ID DR0727 DR0727 DRUGNAME Flurandrenolide DR0727 PUBCMCID 15209 DR0727 TTDRUGID D0Y2YP DR0727 DFORMULA C24H33FO6 DR0727 INCHIKEY POPFMWWJOGLOIF-XWCQMRHXSA-N DR0727 DRUINCHI 1S/C24H33FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h7,13-14,16-17,19-20,26,28H,5-6,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1 DR0727 CASMILES CC1(OC2CC3C4CC(C5=CC(=O)CCC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C)F)C DR0727 CAS__NUM CAS 1524-88-5 DR0727 CHEBINUM 5127 DR0727 PUBCMSID 855862; 7847394; 7979291; 8161408; 10321974; 11466673; 11467793; 11486306; 29283181; 46505159; 47365453; 47440538; 47960000; 48185237; 49698604; 50019672; 50104126; 56424122; 57328916; 71831477; 80662145; 85787964; 92125615; 103770995; 103914443; 104336512; 121363286; 124800386; 126651364; 126691320; 134221913; 134337714; 134979670; 135925245; 137008617; 141792094; 144204060; 144212928; 160964187; 162184963; 162198487; 170465298; 175268451; 175611950; 179116699; 184580842; 196108775; 223365941; 223660113;226396638 DR0728 DRUG__ID DR0728 DR0728 DRUGNAME Flurazepam DR0728 PUBCMCID 3393 DR0728 TTDRUGID D08XFV DR0728 DFORMULA C21H23ClFN3O DR0728 INCHIKEY SAADBVWGJQAEFS-UHFFFAOYSA-N DR0728 DRUINCHI 1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3 DR0728 CASMILES CCN(CC)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F DR0728 CAS__NUM CAS 17617-23-1 DR0728 CHEBINUM 5128 DR0728 PUBCMSID 5373981; 7847395; 7979292; 8152162; 10510931; 16847426; 26757995; 29222528; 46508451; 48416030; 49884134; 57321773; 74737372; 81065483; 103252248; 104303383; 125343184; 126666911; 127346536; 127346537; 129206359; 131302560; 134337556; 134961907; 134991466; 137005121; 139650929; 144205754; 152029390; 152146193; 160964035; 164814237; 170465018; 175265966; 177513104; 178103763; 179116700; 198993237; 221672978; 223661920; 226416782; 249949893; 252349925 DR0731 DRUG__ID DR0731 DR0731 DRUGNAME Flurbiprofen sodium DR0731 PUBCMCID 23684814 DR0731 TTDRUGID D0A1PX DR0731 DFORMULA C15H12FNaO2 DR0731 INCHIKEY AUAGTGKMTMVIKN-UHFFFAOYSA-M DR0731 DRUINCHI 1S/C15H13FO2.Na/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11;/h2-10H,1H3,(H,17,18);/q;+1/p-1 DR0731 CASMILES CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)[O-].[Na+] DR0731 CAS__NUM CAS 56767-76-1 DR0732 DRUG__ID DR0732 DR0732 DRUGNAME Fluspirilene DR0732 PUBCMCID 3396 DR0732 TTDRUGID D0U5FS DR0732 DFORMULA C29H31F2N3O DR0732 INCHIKEY QOYHHIBFXOOADH-UHFFFAOYSA-N DR0732 DRUINCHI 1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35) DR0732 CASMILES C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F DR0732 CAS__NUM CAS 1841-19-6 DR0732 CHEBINUM 93369 DR0732 PUBCMSID 5373984; 8152165; 11111163; 11112501; 11466934; 11468054; 11486687; 11532937; 15034182; 17396799; 17405081; 24277915; 26753577; 26753578; 29222531; 46508202; 47365394; 47365395; 47440449; 47515499; 47662490; 48185163; 48185164; 49699203; 50055682; 50106303; 50106304; 50106305; 50549166; 53777624; 56422781; 57298659; 57321776; 81093250; 85086165; 85209874; 85231040; 85788238; 90341058; 92125718; 92303784; 92308731; 92309759; 99300673; 103224650; 103914601; 104171151; 104303392; 121361281; 121363389 DR0733 DRUG__ID DR0733 DR0733 DRUGNAME Flutamide DR0733 PUBCMCID 3397 DR0733 TTDRUGID D0Y0SW DR0733 DFORMULA C11H11F3N2O3 DR0733 INCHIKEY MKXKFYHWDHIYRV-UHFFFAOYSA-N DR0733 DRUINCHI 1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17) DR0733 CASMILES CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F DR0733 CAS__NUM CAS 13311-84-7 DR0733 CHEBINUM 5132 DR0733 PUBCMSID 9855; 128648; 430151; 3221869; 5373985; 5766070; 7847652; 8149685; 8152166; 10321328; 11111202; 11111203; 11335634; 11360873; 11364104; 11366666; 11369228; 11372441; 11374516; 11377390; 11461845; 11466208; 11467328; 11484718; 11485736; 11489017; 11491236; 11492644; 11495024; 11528366; 11532925; 11533484; 12013361; 12146082; 15222063; 17388997; 17405119; 24278446; 26612139; 26679948; 26747365; 26747366; 26753014; 26753015; 29222532; 46508874; 47365133; 47515269; 47515270; 47959685 DR0735 DRUG__ID DR0735 DR0735 DRUGNAME Fluticasone furoate DR0735 PUBCMCID 9854489 DR0735 TTDRUGID D0LC6K DR0735 DFORMULA C27H29F3O6S DR0735 INCHIKEY XTULMSXFIHGYFS-VLSRWLAYSA-N DR0735 DRUINCHI 1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/m1/s1 DR0735 CASMILES CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)SCF)OC(=O)C5=CC=CO5)C)O)F)C)F DR0735 CAS__NUM CAS 397864-44-7 DR0735 CHEBINUM 74899 DR0736 DRUG__ID DR0736 DR0736 DRUGNAME Fluticasone propionate DR0736 PUBCMCID 444036 DR0736 TTDRUGID D0LC6K DR0736 DFORMULA C25H31F3O5S DR0736 INCHIKEY WMWTYOKRWGGJOA-CENSZEJFSA-N DR0736 DRUINCHI 1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1 DR0736 CASMILES CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)SCF DR0736 CAS__NUM CAS 80474-14-2 DR0736 CHEBINUM 31441 DR0738 DRUG__ID DR0738 DR0738 DRUGNAME Fluvastatin sodium DR0738 PUBCMCID 23663976 DR0738 TTDRUGID D08GHB DR0738 DFORMULA C24H25FNNaO4 DR0738 INCHIKEY ZGGHKIMDNBDHJB-NRFPMOEYSA-M DR0738 DRUINCHI 1S/C24H26FNO4.Na/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30;/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30);/q;+1/p-1/b12-11+;/t18-,19-;/m1./s1 DR0738 CASMILES CC(C)N1C2=CC=CC=C2C(=C1C=CC(CC(CC(=O)[O-])O)O)C3=CC=C(C=C3)F.[Na+] DR0738 CAS__NUM CAS 94061-80-0 DR0738 CHEBINUM 77602 DR0740 DRUG__ID DR0740 DR0740 DRUGNAME Fluvoxamine maleate DR0740 PUBCMCID 9560989 DR0740 TTDRUGID D0M5JI DR0740 DFORMULA C19H25F3N2O6 DR0740 INCHIKEY LFMYNZPAVPMEGP-PIDGMYBPSA-N DR0740 DRUINCHI 1S/C15H21F3N2O2.C4H4O4/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18;5-3(6)1-2-4(7)8/h5-8H,2-4,9-11,19H2,1H3;1-2H,(H,5,6)(H,7,8)/b20-14+;2-1- DR0740 CASMILES COCCCCC(=NOCCN)C1=CC=C(C=C1)C(F)(F)F.C(=CC(=O)O)C(=O)O DR0740 CAS__NUM CAS 54739-18-3 DR0740 CHEBINUM 5138 DR0740 PUBCMSID 454745; 855640; 7847889; 11528686; 12013347; 14905575; 17405058; 23991201; 24278162; 26719775; 44701492; 46386804; 49681623; 49833812; 50106274; 50106275; 53777601; 53787474; 56311599; 56322576; 56424073; 57372756; 78691046; 91011981; 92125995; 92303795; 92712462; 99437098; 103486223; 103914603; 104179110; 121361195; 121363666; 124757174; 125163978; 126625489; 126656699; 131321166; 134340192; 135004590; 135060340; 135692110; 135698078; 137267463; 144076080; 152100561; 160871270; 162173304; 162263446; 163392548 DR0742 DRUG__ID DR0742 DR0742 DRUGNAME Folic acid DR0742 PUBCMCID 135398658 DR0742 TTDRUGID D0Z0DW DR0742 DFORMULA C19H19N7O6 DR0742 INCHIKEY OVBPIULPVIDEAO-LBPRGKRZSA-N DR0742 DRUINCHI 1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1 DR0742 CASMILES C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N DR0742 CAS__NUM CAS 59-30-3 DR0742 CHEBINUM 15641 DR0742 PUBCMSID 3787; 584223; 829573; 831381; 831592; 831633; 831664; 834516; 835597; 835744; 837196; 841329; 7847138; 7887399; 7887539; 7979297; 8144505; 8149795; 8153763; 10318222; 10321330; 11112150; 11335669; 11360908; 11364275; 11366837; 11369399; 11371658; 11375360; 11377561; 11461880; 11485093; 11489275; 11490565; 11493565; 11495195; 11537760; 14857129; 14930521; 16028504; 16077361; 22389272; 24845192; 24894950; 24894973; 24894977; 24894979; 26612259; 26680757; 26704619 DR0743 DRUG__ID DR0743 DR0743 DRUGNAME Fomepizole DR0743 PUBCMCID 3406 DR0743 TTDRUGID D02NJA DR0743 DFORMULA C4H6N2 DR0743 INCHIKEY RIKMMFOAQPJVMX-UHFFFAOYSA-N DR0743 DRUINCHI 1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6) DR0743 CASMILES CC1=CNN=C1 DR0743 CAS__NUM CAS 7554-65-6 DR0743 CHEBINUM 5141 DR0743 PUBCMSID 10039; 3138709; 4792909; 7847772; 8152171; 10534897; 11111426; 12055784; 15170375; 24853343; 29222541; 31504178; 37464815; 39217062; 46508566; 48035242; 48442693; 49835006; 50029489; 50111124; 50139274; 53777054; 53788599; 57288740; 57321782; 57896964; 78011723; 81043498; 84974850; 85087794; 87572774; 90341211; 92721719; 99451186; 99495445; 103406649; 104303422; 104814009; 117417629; 117417630; 124749944; 124880638; 125357243; 126582001; 126618912; 126649057; 126667121; 126738786; 127483523; 127983616 DR0744 DRUG__ID DR0744 DR0744 DRUGNAME Formoterol DR0744 PUBCMCID 3410 DR0744 TTDRUGID D04KJO DR0744 DFORMULA C19H24N2O4 DR0744 INCHIKEY BPZSYCZIITTYBL-UHFFFAOYSA-N DR0744 DRUINCHI 1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22) DR0744 CASMILES CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O DR0744 CAS__NUM CAS 73573-87-2 DR0744 CHEBINUM 63082 DR0744 PUBCMSID 10007; 5643479; 8152174; 14875897; 29222544; 46507099; 50125837; 50940891; 53790377; 57321784; 85209082; 92712339; 96024684; 103837996; 104303431; 117625425; 125564207; 126625648; 126656778; 126670908; 127551521; 134337561; 135610485; 136352502; 137070085; 142452394; 144224272; 152100598; 160964320; 162178864; 163329494; 176251370; 178100459; 179148573; 196111556; 198992021; 206246320; 221672992; 223400949; 223680169; 223781951; 226683973; 240785438 DR0745 DRUG__ID DR0745 DR0745 DRUGNAME Fosamprenavir DR0745 PUBCMCID 131536 DR0745 TTDRUGID D0F5MT DR0745 DFORMULA C25H36N3O9PS DR0745 INCHIKEY MLBVMOWEQCZNCC-OEMFJLHTSA-N DR0745 DRUINCHI 1S/C25H36N3O9PS/c1-18(2)15-28(39(33,34)22-10-8-20(26)9-11-22)16-24(37-38(30,31)32)23(14-19-6-4-3-5-7-19)27-25(29)36-21-12-13-35-17-21/h3-11,18,21,23-24H,12-17,26H2,1-2H3,(H,27,29)(H2,30,31,32)/t21-,23-,24+/m0/s1 DR0745 CASMILES CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2CCOC2)OP(=O)(O)O)S(=O)(=O)C3=CC=C(C=C3)N DR0745 CAS__NUM CAS 226700-79-4 DR0745 CHEBINUM 82941 DR0745 PUBCMSID 630866; 10242897; 14764609; 14911487; 17396671; 29309884; 46504901; 50070552; 50071323; 75335910; 103633149; 104375333;126680953; 134222910; 134337996; 135111213; 136139133; 137006000; 142147341; 160964617; 175267520; 179296052; 210279023; 223447627; 223664897; 226420602; 251971352 DR0749 DRUG__ID DR0749 DR0749 DRUGNAME Fosfomycin DR0749 PUBCMCID 446987 DR0749 TTDRUGID D01GYT DR0749 DFORMULA C3H7O4P DR0749 INCHIKEY YMDXZJFXQJVXBF-STHAYSLISA-N DR0749 DRUINCHI 1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1 DR0749 CASMILES CC1C(O1)P(=O)(O)O DR0749 CAS__NUM CAS 23155-02-4 DR0749 CHEBINUM 28915 DR0749 PUBCMSID 8687; 606108; 7887444; 8013956; 8027671; 10299988; 14747737; 15297304; 36889264; 46506665; 47206194; 50126493; 50767051; 57404778; 92298260; 93166606; 96099807; 103707732; 103934869; 104637332; 116933583; 124349057; 124385179; 129815629; 134338052; 134994616; 137006369; 140608615; 142971088; 160658318; 160964170; 162008097; 162496683; 164187510; 164187514; 164187516; 164187519; 164187529; 174551524; 175266349; 179150196; 226434285; 241044746; 250133924 DR0751 DRUG__ID DR0751 DR0751 DRUGNAME Fosphenytoin sodium DR0751 PUBCMCID 56338 DR0751 TTDRUGID D0J5YC DR0751 DFORMULA C16H13N2Na2O6P DR0751 INCHIKEY GQPXYJNXTAFDLT-UHFFFAOYSA-L DR0751 DRUINCHI 1S/C16H15N2O6P.2Na/c19-14-16(12-7-3-1-4-8-12,13-9-5-2-6-10-13)17-15(20)18(14)11-24-25(21,22)23;;/h1-10H,11H2,(H,17,20)(H2,21,22,23);;/q;2*+1/p-2 DR0751 CASMILES C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)COP(=O)([O-])[O-])C3=CC=CC=C3.[Na+].[Na+] DR0751 CAS__NUM CAS 92134-98-0 DR0753 DRUG__ID DR0753 DR0753 DRUGNAME Fospropofol DR0753 PUBCMCID 3038498 DR0753 DFORMULA C13H21O5P DR0753 INCHIKEY QVNNONOFASOXQV-UHFFFAOYSA-N DR0753 DRUINCHI 1S/C13H21O5P/c1-9(2)11-6-5-7-12(10(3)4)13(11)17-8-18-19(14,15)16/h5-7,9-10H,8H2,1-4H3,(H2,14,15,16) DR0753 CASMILES CC(C)C1=C(C(=CC=C1)C(C)C)OCOP(=O)(O)O DR0753 CAS__NUM CAS 258516-89-1 DR0753 CHEBINUM 135193 DR0754 DRUG__ID DR0754 DR0754 DRUGNAME Fostamatinib DR0754 PUBCMCID 11671467 DR0754 TTDRUGID D0V8HJ DR0754 DFORMULA C23H26FN6O9P DR0754 INCHIKEY GKDRMWXFWHEQQT-UHFFFAOYSA-N DR0754 DRUINCHI 1S/C23H26FN6O9P/c1-23(2)21(31)30(11-38-40(32,33)34)20-14(39-23)6-7-17(28-20)27-19-13(24)10-25-22(29-19)26-12-8-15(35-3)18(37-5)16(9-12)36-4/h6-10H,11H2,1-5H3,(H2,32,33,34)(H2,25,26,27,28,29) DR0754 CASMILES CC1(C(=O)N(C2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)COP(=O)(O)O)C DR0754 CAS__NUM CAS 901119-35-5 DR0754 PUBCMSID 16775273; 23769915; 75389485; 96026027; 124360793; 125164706; 125299332; 126665637; 134338877; 135262180; 135693729; 136367938; 137245316; 141853032; 144115995; 152159558; 152344305; 160681714; 162038039; 164043535; 164160256; 170501470; 172087031; 172818901; 174006453; 174531355; 185997057; 188941735; 198973453;206261469; 210274820; 210280453; 223366127; 223388366; 223684830; 227435155; 242060176; 246229128; 251971029; 252215442 DR0755 DRUG__ID DR0755 DR0755 DRUGNAME Frovatriptan DR0755 PUBCMCID 77992 DR0755 TTDRUGID D06FPQ DR0755 DFORMULA C14H17N3O DR0755 INCHIKEY XPSQPHWEGNHMSK-SECBINFHSA-N DR0755 DRUINCHI 1S/C14H17N3O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)/t9-/m1/s1 DR0755 CASMILES CNC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N DR0755 CAS__NUM CAS 158747-02-5 DR0755 CHEBINUM 134991 DR0755 PUBCMSID 7979332; 8199305; 12014901; 14749650; 15221001; 43133577; 46506288; 48416039; 50070536; 50071300; 50288893; 57332463; 93167160; 96024690; 103396317; 103967002; 104368726; 126658118; 126667006; 129723338; 134223840; 134337391; 135035469; 137002444; 138365609; 160964334; 175265638; 178103766; 179150020; 184527647; 223660569; 226420875 DR0756 DRUG__ID DR0756 DR0756 DRUGNAME Fulvestrant DR0756 PUBCMCID 104741 DR0756 TTDRUGID D0JO7Y DR0756 DFORMULA C32H47F5O3S DR0756 INCHIKEY VWUXBMIQPBEWFH-WCCTWKNTSA-N DR0756 DRUINCHI 1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1 DR0756 CASMILES CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F DR0756 CAS__NUM CAS 129453-61-8 DR0756 CHEBINUM 31638 DR0756 PUBCMSID 534986; 7848224; 8139859; 10233578; 12014659; 14887338; 14911923; 44434356; 47213214; 48421875; 49965830; 53787559; 56310723; 56311014; 56311884; 56311948; 56312955; 57337809; 57570890; 74779769; 87325152; 90341164; 92309278; 92721810; 93165800; 93167154; 99437215; 103447197; 104054514; 104372812; 121360934; 124757068; 125163872; 126627510; 126634728; 126666851; 129538438; 134337631; 135060458; 135650370; 135916581; 136946608; 137267475; 143493372; 144115998; 144204490; 144209802; 144213958; 152035088; 152233184 DR0757 DRUG__ID DR0757 DR0757 DRUGNAME Furosemide DR0757 PUBCMCID 3440 DR0757 TTDRUGID D0PQ3G DR0757 DFORMULA C12H11ClN2O5S DR0757 INCHIKEY ZZUFCTLCJUWOSV-UHFFFAOYSA-N DR0757 DRUINCHI 1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19) DR0757 CASMILES C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl DR0757 CAS__NUM CAS 54-31-9 DR0757 CHEBINUM 47426 DR0757 PUBCMSID 9229; 140841; 597353; 5651429; 7847397; 8149353; 8152188; 10321703; 11112125; 11335750; 11360989; 11363994; 11366556; 11369118; 11371374; 11374398; 11377280; 11461961; 11466369; 11467489; 11484865; 11486058; 11488821; 11490253; 11492375; 11494914; 11531975; 11534249; 12014152; 14875224; 17389872; 22391430; 24277714; 26611753; 26680261; 26747275; 26747276; 26752834; 26752835; 29214787; 29222574; 46487913; 46506779; 47193739; 47216755; 47440227; 47515298; 47810733; 47885389; 48035085 DR0758 DRUG__ID DR0758 DR0758 DRUGNAME CEM-102 DR0758 PUBCMCID 3000226 DR0758 TTDRUGID D0X7XG DR0758 DFORMULA C31H48O6 DR0758 INCHIKEY IECPWNUMDGFDKC-MZJAQBGESA-N DR0758 DRUINCHI 1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1 DR0758 CASMILES CC1C2CCC3(C(C2(CCC1O)C)C(CC4C3(CC(C4=C(CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C DR0758 CAS__NUM CAS 6990-06-3 DR0758 CHEBINUM 29013 DR0758 PUBCMSID 8919; 105658; 596017; 7979334; 10036127; 24702594; 24894729; 34666341; 46392987; 46505364; 46530473; 47206215; 47736747; 48416045; 49829529; 50959064; 53787526; 56314510; 56320723; 56320724; 57410087; 57654174; 74382570; 87895531; 93576759; 103511436; 109693457; 111610056; 124766024; 124801075; 127344473; 134338277; 134988294; 137004075; 139685296; 160965878; 164814155; 165235893; 175266845; 179230525; 184811991; 223715788; 225067369; 226413683; 241109573; 251916694; 251917933; 251970970; 252350108; 252402473 DR0759 DRUG__ID DR0759 DR0759 DRUGNAME CERC-801 DR0759 PUBCMCID 6036 DR0759 DFORMULA C6H12O6 DR0759 INCHIKEY WQZGKKKJIJFFOK-SVZMEOIVSA-N DR0759 DRUINCHI 1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6?/m1/s1 DR0759 CASMILES C(C1C(C(C(C(O1)O)O)O)O)O DR0759 CAS__NUM CAS 10257-28-0 DR0759 CHEBINUM 4139 DR0761 DRUG__ID DR0761 DR0761 DRUGNAME Galantamine hydrobromide DR0761 PUBCMCID 121587 DR0761 TTDRUGID D0R9VR DR0761 DFORMULA C17H22BrNO3 DR0761 INCHIKEY QORVDGQLPPAFRS-XPSHAMGMSA-N DR0761 DRUINCHI 1S/C17H21NO3.BrH/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17;/h3-6,12,14,19H,7-10H2,1-2H3;1H/t12-,14-,17-;/m0./s1 DR0761 CASMILES CN1CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)O.Br DR0761 CAS__NUM CAS 1953-04-4 DR0762 DRUG__ID DR0762 DR0762 DRUGNAME D-600 DR0762 PUBCMCID 1234 DR0762 TTDRUGID D00ERV DR0762 DFORMULA C28H40N2O5 DR0762 INCHIKEY XQLWNAFCTODIRK-UHFFFAOYSA-N DR0762 DRUINCHI 1S/C28H40N2O5/c1-20(2)28(19-29,22-17-25(33-6)27(35-8)26(18-22)34-7)13-9-14-30(3)15-12-21-10-11-23(31-4)24(16-21)32-5/h10-11,16-18,20H,9,12-15H2,1-8H3 DR0762 CASMILES CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C(=C2)OC)OC)OC DR0762 CAS__NUM CAS 16662-46-7 DR0762 CHEBINUM 34772 DR0762 PUBCMSID 854012; 5588061; 7979354; 8151048; 10510120; 11120269; 11120757; 11121245; 11121448; 11121928; 11362517; 11365079; 11367641; 11370305; 11370306; 11373242; 11375803; 14834960; 24439579; 26752312; 26752313; 47440013; 47810532; 47885193; 47885194; 48110231; 48258991; 49878993; 50105237; 50105238; 57320831; 76626821; 85087629; 85286057; 85787221; 85788738; 90341545; 91721411; 92309799; 96024702; 99300713; 103235960; 103845994; 103925610; 104171189; 104297146; 117513596; 124749992; 124880746; 124880747 DR0763 DRUG__ID DR0763 DR0763 DRUGNAME GV-150526 DR0763 PUBCMCID 6450546 DR0763 TTDRUGID D0O6AQ DR0763 DFORMULA C18H12Cl2N2O3 DR0763 INCHIKEY WZBNEZWCNKUOSM-VOTSOKGWSA-N DR0763 DRUINCHI 1S/C18H12Cl2N2O3/c19-10-8-13(20)16-12(17(18(24)25)22-14(16)9-10)6-7-15(23)21-11-4-2-1-3-5-11/h1-9,22H,(H,21,23)(H,24,25)/b7-6+ DR0763 CASMILES C1=CC=C(C=C1)NC(=O)C=CC2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)O DR0763 CAS__NUM CAS 153436-22-7 DR0763 CHEBINUM 92867 DR0763 PUBCMSID 11972111; 14877626; 43041642; 47206237; 49983607; 50438457; 57370215; 85788700; 103227166; 103956928; 114525294; 134339038; 134340043; 135236023; 137132921; 137249725; 142472724; 162221852; 179322268; 184596079; 198982944; 226973454; 227903014; 242057623 DR0764 DRUG__ID DR0764 DR0764 DRUGNAME Gefitinib DR0764 PUBCMCID 123631 DR0764 TTDRUGID D09XZB DR0764 DFORMULA C22H24ClFN4O3 DR0764 INCHIKEY XGALLCVXEZPNRQ-UHFFFAOYSA-N DR0764 DRUINCHI 1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) DR0764 CASMILES COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4 DR0764 CAS__NUM CAS 184475-35-2 DR0764 CHEBINUM 49668 DR0764 PUBCMSID 532631; 7849039; 8035066; 10240807; 10318995; 11377941; 12015033; 14833109; 21317853; 24424016; 24424024; 24424026; 29215403; 29215404; 29303859; 46508649; 47646567; 49635529; 49742641; 50040863; 50100103; 53319998; 53788589; 53799235; 56312091; 56313236; 56313469; 57340492; 61127928; 81092810; 85171051; 92308715; 92717784; 93581024; 99436946; 99444469; 103024897; 103244983; 103905343; 103905344; 104418951; 104829175; 117865087; 118047033; 123105108; 124756943; 124892204; 124892205; 124892206; 125001914 DR0765 DRUG__ID DR0765 DR0765 DRUGNAME Gemcitabine DR0765 PUBCMCID 60750 DR0765 TTDRUGID D03UVS DR0765 DFORMULA C9H11F2N3O4 DR0765 INCHIKEY SDUQYLNIPVEERB-QPPQHZFASA-N DR0765 DRUINCHI 1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1 DR0765 CASMILES C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F DR0765 CAS__NUM CAS 95058-81-4 DR0765 CHEBINUM 175901 DR0765 PUBCMSID 9852; 597200; 829253; 7849427; 7887820; 7979381; 8187035; 15197115; 15221618; 24769903; 24875076; 43118104; 46506425; 49684285; 49835789; 49960194; 50298729; 53787881; 56311575; 56312523; 56312627; 56312648; 56313191; 56313205; 56313872; 57304498; 57314089; 60815357; 87322653; 92308986; 103233471; 104321551; 117682518; 121264498; 124893555; 127340623; 127340624; 129221764; 134338484; 135022769; 135684653; 136367931; 136369166; 137001852; 142312486; 143493338; 144116012; 152059722; 152240379; 152258737 DR0766 DRUG__ID DR0766 DR0766 DRUGNAME Gemfibrozil DR0766 PUBCMCID 3463 DR0766 TTDRUGID D05VIX DR0766 DFORMULA C15H22O3 DR0766 INCHIKEY HEMJJKBWTPKOJG-UHFFFAOYSA-N DR0766 DRUINCHI 1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17) DR0766 CASMILES CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O DR0766 CAS__NUM CAS 25812-30-0 DR0766 CHEBINUM 5296 DR0766 PUBCMSID 9232; 653082; 855780; 4651818; 7847400; 7979382; 8149356; 8152202; 10321602; 10852033; 11112705; 11335313; 11360552; 11363719; 11366281; 11368843; 11371380; 11374103; 11377005; 11461524; 11466242; 11467362; 11484910; 11485884; 11488913; 11490256; 11492377; 11494639; 11533483; 12013353; 14798621; 17389870; 24895377; 26611755; 26679791; 26746993; 26746994; 26751514; 26751515; 28325629; 29222597; 46508264; 47290997; 47365037; 47662123; 47885266; 48034963; 48110314; 48184857; 48334343 DR0767 DRUG__ID DR0767 DR0767 DRUGNAME Gemtuzumab ozogamicin DR0767 PUBCMCID 404336834 DR0767 TTDRUGID D06EWO DR0768 DRUG__ID DR0768 DR0768 DRUGNAME BIO-300 DR0768 PUBCMCID 5280961 DR0768 TTDRUGID D0L4FS DR0768 DFORMULA C15H10O5 DR0768 INCHIKEY TZBJGXHYKVUXJN-UHFFFAOYSA-N DR0768 DRUINCHI 1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H DR0768 CASMILES C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O DR0768 CAS__NUM CAS 446-72-0 DR0768 CHEBINUM 28088 DR0768 PUBCMSID 8792; 93197; 606653; 640215; 854585; 854586; 3153130; 4652582; 7887819; 8138208; 8144401; 8616462; 10318994; 11111233; 11111234; 11113921; 11114608; 11120325; 11120813; 11121301; 11341576; 11361759; 11363214; 11364972; 11365776; 11367534; 11368338; 11370096; 11371695; 11373135; 11375144; 11375696; 11376500; 11378267; 11404364; 11407761; 11484372; 11487161; 11488454; 11490494; 11493357; 11494134; 15197341; 17389520; 17405083; 22391506; 24278036; 24895273; 25622056; 26527427 DR0769 DRUG__ID DR0769 DR0769 DRUGNAME Org-33062 DR0769 PUBCMCID 55191 DR0769 TTDRUGID D0R5GS DR0769 DFORMULA C19H29N5O2 DR0769 INCHIKEY QOIGKGMMAGJZNZ-UHFFFAOYSA-N DR0769 DRUINCHI 1S/C19H29N5O2/c1-19(2)14-16(25)24(17(26)15-19)9-4-3-8-22-10-12-23(13-11-22)18-20-6-5-7-21-18/h5-7H,3-4,8-15H2,1-2H3 DR0769 CASMILES CC1(CC(=O)N(C(=O)C1)CCCCN2CCN(CC2)C3=NC=CC=N3)C DR0769 CAS__NUM CAS 83928-76-1 DR0769 CHEBINUM 135990 DR0769 PUBCMSID 8184005; 14925895; 34719099; 50065289; 50546442; 57313721; 85209821; 93309635; 103209962; 103918678; 104306915; 117592171; 126420462; 126661237; 129051833; 134223129; 135049417; 137008711; 142141652; 152063945; 163414346; 163797830; 175265394; 179151277; 184826777; 203355971; 223401822; 223541940; 226458228; 242075674; 249825745; 250216027; 252061880; 252426868 DR0770 DRUG__ID DR0770 DR0770 DRUGNAME Gestodene DR0770 PUBCMCID 3033968 DR0770 DFORMULA C21H26O2 DR0770 INCHIKEY SIGSPDASOTUPFS-XUDSTZEESA-N DR0770 DRUINCHI 1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1 DR0770 CASMILES CCC12CCC3C(C1C=CC2(C#C)O)CCC4=CC(=O)CCC34 DR0770 CAS__NUM CAS 60282-87-3 DR0770 CHEBINUM 135323 DR0771 DRUG__ID DR0771 DR0771 DRUGNAME Gestrinone DR0771 PUBCMCID 27812 DR0771 TTDRUGID D0M5RF DR0771 DFORMULA C21H24O2 DR0771 INCHIKEY BJJXHLWLUDYTGC-ANULTFPQSA-N DR0771 DRUINCHI 1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3/t18-,19+,20+,21+/m1/s1 DR0771 CASMILES CCC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2(C#C)O DR0771 CAS__NUM CAS 16320-04-0 DR0771 CHEBINUM 89642 DR0771 PUBCMSID 8170004; 12013155; 15023866; 34670307; 47206244; 48416053; 49963123; 50068836; 50112711; 50840180; 57310513; 71825009; 92308892; 104301021; 118313747; 126524636; 134991995; 136065935; 137249417; 144206014; 152034351; 160698806; 162263756; 163134937; 164152390; 164821146; 170466364; 175612074; 176484061; 179150033; 184527805; 198952858; 226571405; 252370553 DR0772 DRUG__ID DR0772 DR0772 DRUGNAME Gilteritinib DR0772 PUBCMCID 49803313 DR0772 TTDRUGID D04KZY DR0772 DFORMULA C29H44N8O3 DR0772 INCHIKEY GYQYAJJFPNQOOW-UHFFFAOYSA-N DR0772 DRUINCHI 1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34) DR0772 CASMILES CCC1=NC(=C(N=C1NC2CCOCC2)NC3=CC(=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC)C(=O)N DR0772 CAS__NUM CAS 1254053-43-4 DR0772 CHEBINUM 145372 DR0774 DRUG__ID DR0774 DR0774 DRUGNAME Glasdegib DR0774 PUBCMCID 25166913 DR0774 TTDRUGID D0S5LO DR0774 DFORMULA C21H22N6O DR0774 INCHIKEY SFNSLLSYNZWZQG-VQIMIIECSA-N DR0774 DRUINCHI 1S/C21H22N6O/c1-27-11-10-16(24-21(28)23-15-8-6-14(13-22)7-9-15)12-19(27)20-25-17-4-2-3-5-18(17)26-20/h2-9,16,19H,10-12H2,1H3,(H,25,26)(H2,23,24,28)/t16-,19-/m1/s1 DR0774 CASMILES CN1CCC(CC1C2=NC3=CC=CC=C3N2)NC(=O)NC4=CC=C(C=C4)C#N DR0774 CAS__NUM CAS 1095173-27-5 DR0774 CHEBINUM 145428 DR0774 PUBCMSID 57272690; 85015477; 137314061; 160674101; 160864718; 172650747; 172919367; 185992952; 198988649; 210275502; 210281150; 223218476;224234750; 228215445; 243875074; 249565881; 249714988; 251910427; 252211783; 252443313; 252472990 DR0775 DRUG__ID DR0775 DR0775 DRUGNAME Glibenclamide DR0775 PUBCMCID 3488 DR0775 TTDRUGID D05LYX DR0775 DFORMULA C23H28ClN3O5S DR0775 INCHIKEY ZNNLBTZKUZBEKO-UHFFFAOYSA-N DR0775 DRUINCHI 1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29) DR0775 CASMILES COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3 DR0775 CAS__NUM CAS 10238-21-8 DR0775 CHEBINUM 5441 DR0775 PUBCMSID 9234; 855894; 3146598; 5047958; 7847402; 7979403; 8147024; 8150168; 8152216; 10321542; 10502519; 11111219; 11112597;11113353; 11119957; 11120445; 11120933; 11121416; 11121896; 11147040; 11335656; 11360895; 11362485; 11363144; 11365047; 11365706; 11367609; 11368268; 11370241; 11370242; 11372372; 11373210; 11375035;11375771; 11376430; 11461867; 11466344; 11467464; 11485567; 11486267; 11489632; 11491142; 11493013; 11494064; 14835352; 17405062; 22391414; 24277838; 24895097; 26542333 DR0776 DRUG__ID DR0776 DR0776 DRUGNAME Gliclazide DR0776 PUBCMCID 3475 DR0776 TTDRUGID D0M2MR DR0776 DFORMULA C15H21N3O3S DR0776 INCHIKEY BOVGTQGAOIONJV-UHFFFAOYSA-N DR0776 DRUINCHI 1S/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13H,2-4,9-10H2,1H3,(H2,16,17,19) DR0776 CASMILES CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2 DR0776 CAS__NUM CAS 21187-98-4 DR0776 CHEBINUM 31654 DR0776 PUBCMSID 3206372; 5035155; 7848662; 7979407; 8152209; 10321809; 11342141; 11362324; 11364372; 11366934; 11369496; 11372903; 11374235; 11377658; 11466586; 11467706; 11486292; 11487726; 11491677; 11492413; 11495292; 11533945; 14826273; 24895090; 26612635; 26612723; 26748918; 26748919; 26748920; 29222608; 47656599; 47730748; 48179242; 48179243; 48328563; 48403959; 48416054; 49646130; 49698833; 50061218; 50086570; 50107481; 50107482; 50107483; 50880518; 57321824; 81040947; 81066070; 81093129; 85280584 DR0777 DRUG__ID DR0777 DR0777 DRUGNAME Glimepiride DR0777 PUBCMCID 3476 DR0777 TTDRUGID D0B2GI DR0777 DFORMULA C24H34N4O5S DR0777 INCHIKEY WIGIZIANZCJQQY-UHFFFAOYSA-N DR0777 DRUINCHI 1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)/t16-,19- DR0777 CASMILES CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C DR0777 CAS__NUM CAS 93479-97-1 DR0777 CHEBINUM 5383 DR0777 PUBCMSID 9871; 5043708; 7847659; 7979409; 8145852; 8152210; 11112876; 11466679; 11467799; 11486338; 12013623; 14908413; 24895093; 26719876; 26755029; 26755030; 29222609; 32963623; 46386690; 46508842; 47589079; 47959862; 48155569; 48185080; 48334594; 49648856; 49699123; 49731995; 49835734; 50037704; 50126308; 56313637; 57321825; 77374551; 81040871; 81092812; 85787655; 85787837; 91613422; 92125647; 92308643; 92309214; 92711714; 99344865; 99437102; 103394534; 103543151; 103913636; 104171333; 104303626 DR0778 DRUG__ID DR0778 DR0778 DRUGNAME Glipizide DR0778 PUBCMCID 3478 DR0778 TTDRUGID D0Z4SB DR0778 DFORMULA C21H27N5O4S DR0778 INCHIKEY ZJJXGWJIGJFDTL-UHFFFAOYSA-N DR0778 DRUINCHI 1S/C21H27N5O4S/c1-15-13-24-19(14-23-15)20(27)22-12-11-16-7-9-18(10-8-16)31(29,30)26-21(28)25-17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,22,27)(H2,25,26,28) DR0778 CASMILES CC1=CN=C(C=N1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3 DR0778 CAS__NUM CAS 29094-61-9 DR0778 CHEBINUM 5384 DR0778 PUBCMSID 855947; 3153201; 5043710; 7847401; 7979413; 8152212; 10321342; 11111214; 11112714; 11119955; 11120443; 11120931; 11121414; 11121894; 11147038; 11362483; 11365045; 11367607; 11370237; 11370238; 11373208; 11375769; 11466159; 11467279; 11485877; 14906210; 17405183; 24277839; 24858438; 25819918; 26751569; 26751570; 29222611; 46505865; 47290874; 47290875; 47515059; 47588733; 47662000; 47810481; 47885136; 49698363; 49836250; 50060598; 50100247; 50104189; 50104190; 50104191; 53777727; 53787230 DR0779 DRUG__ID DR0779 DR0779 DRUGNAME Gliquidone DR0779 PUBCMCID 91610 DR0779 TTDRUGID D06HBQ DR0779 DFORMULA C27H33N3O6S DR0779 INCHIKEY LLJFMFZYVVLQKT-UHFFFAOYSA-N DR0779 DRUINCHI 1S/C27H33N3O6S/c1-27(2)23-14-11-20(36-3)17-22(23)24(31)30(25(27)32)16-15-18-9-12-21(13-10-18)37(34,35)29-26(33)28-19-7-5-4-6-8-19/h9-14,17,19H,4-8,15-16H2,1-3H3,(H2,28,29,33) DR0779 CASMILES CC1(C2=C(C=C(C=C2)OC)C(=O)N(C1=O)CCC3=CC=C(C=C3)S(=O)(=O)NC(=O)NC4CCCCC4)C DR0779 CAS__NUM CAS 33342-05-1 DR0779 CHEBINUM 93416 DR0779 PUBCMSID 7449309; 7849488; 7979418; 10224909; 11112731; 11467019; 11468139; 11486708; 14860897; 44422540; 46508425; 47381693; 47381694; 47604985; 47901629; 48351264; 48416055; 49699236; 49832468; 49881412; 50060569; 50085433; 50124024; 50796154; 56463591; 57334969; 81041002; 81065941; 81092899; 85787540; 87560715; 92125987; 92717029; 103481945; 103914607; 104405238; 105585086; 121363658; 124882576; 124882577; 125204729; 125348208; 126622557; 126654118; 126739661; 128505786; 131310850; 134338200; 135049036; 137005778 DR0780 DRUG__ID DR0780 DR0780 DRUGNAME BRN-0592109 DR0780 PUBCMCID 32778 DR0780 TTDRUGID D04NTJ DR0780 DFORMULA C20H27N5O5S DR0780 INCHIKEY ZKUDBRCEOBOWLF-UHFFFAOYSA-N DR0780 DRUINCHI 1S/C20H27N5O5S/c1-15-14-18(23-30-15)19(26)21-11-10-16-6-8-17(9-7-16)31(28,29)24-20(27)22-25-12-4-2-3-5-13-25/h6-9,14H,2-5,10-13H2,1H3,(H,21,26)(H2,22,24,27) DR0780 CASMILES CC1=CC(=NO1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NN3CCCCCC3 DR0780 CAS__NUM CAS 25046-79-1 DR0780 CHEBINUM 135731 DR0780 PUBCMSID 8172825; 15478163; 29215430; 34674787; 46508780; 48416056; 49987582; 51091457; 57311407; 75725261; 104314493; 127346563; 127346564; 134338201; 134997083; 136074034; 137006664; 139955826; 144205252; 160708863; 160964607; 164841971; 176246077; 179225782; 198959702; 215784432; 223532541; 226432748; 242326209 DR0781 DRUG__ID DR0781 DR0781 DRUGNAME Glucosamine DR0781 PUBCMCID 441477 DR0781 TTDRUGID D07NSU DR0781 DFORMULA C6H13NO5 DR0781 INCHIKEY MSWZFWKMSRAUBD-QZABAPFNSA-N DR0781 DRUINCHI 1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1 DR0781 CASMILES C(C1C(C(C(C(O1)O)N)O)O)O DR0781 CAS__NUM CAS 3416-24-8 DR0781 CHEBINUM 47977 DR0781 PUBCMSID 10546; 596534; 838095; 7887788; 8144354; 8149359; 10298849; 11335436; 11360675; 11363725; 11366287; 11368849; 11371406; 11374109; 11377011; 11461647; 11484213; 11488335; 11490259; 11492380; 11494645; 15017247; 26705499; 26757840; 36885304; 47515213; 47588889; 48259121; 48416057; 49681524; 50123509; 53776778; 53801097; 56260981; 56260989; 56310980; 56311554; 56314432; 57280208; 57280217; 57394145; 57403708; 74565043; 81060983; 93375352; 99301349; 104234243; 104625549; 111123326; 114919127 DR0784 DRUG__ID DR0784 DR0784 DRUGNAME Glycerol DR0784 PUBCMCID 753 DR0784 TTDRUGID D0E0BD DR0784 DFORMULA C3H8O3 DR0784 INCHIKEY PEDCQBHIVMGVHV-UHFFFAOYSA-N DR0784 DRUINCHI 1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2 DR0784 CASMILES C(C(CO)O)O DR0784 CAS__NUM CAS 611168-24-2 DR0784 CHEBINUM 17754 DR0784 PUBCMSID 2769; 3416; 74749; 583876; 584203; 584266; 584696; 585448; 585451; 585453; 585454; 585524; 585792; 587705; 819907; 819918; 819922; 820814; 821861; 822492; 823433; 823466; 823687; 823740; 823748; 823782; 823845; 824038; 824284; 826015; 826368; 826480; 826481; 826823; 827123; 827127; 827128; 827209; 827729; 829147; 829274; 829278; 829808; 829809; 829817; 830035; 830419; 830828; 831971; 831974 DR0786 DRUG__ID DR0786 DR0786 DRUGNAME BRN-0077922 DR0786 PUBCMCID 14982 DR0786 TTDRUGID D0T8QB DR0786 DFORMULA C42H62O16 DR0786 INCHIKEY LPLVUJXQOOQHMX-QWBHMCJMSA-N DR0786 DRUINCHI 1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1 DR0786 CASMILES CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C DR0786 CAS__NUM CAS 1405-86-3 DR0786 CHEBINUM 15939 DR0786 PUBCMSID 595979; 8145710; 8161234; 12014953; 14767124; 14889369; 29282971; 49974013; 53789412; 57328816; 80458755; 87570348; 93165815; 104069368; 104225159; 104253562; 104335876; 117542241; 118046163; 119525684; 124360077; 124757704; 125164508; 126592383; 134981322; 135985736; 137005264; 137174069; 144205073; 144206976; 144213802; 152032505; 152108764; 160703999; 162037865; 162176852; 163614442; 163883554; 175265976; 178101402; 179316054; 184545284; 196378207; 223673136; 223721543; 223800488; 226407764; 249839445; 252216692; 252391202 DR0788 DRUG__ID DR0788 DR0788 DRUGNAME Granisetron hydrochloride DR0788 PUBCMCID 6918003 DR0788 TTDRUGID D0J5KF DR0788 DFORMULA C18H25ClN4O DR0788 INCHIKEY QYZRTBKYBJRGJB-PCMHIUKPSA-N DR0788 DRUINCHI 1S/C18H24N4O.ClH/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17;/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23);1H/t12?,13-,14+; DR0788 CASMILES CN1C2CCCC1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C.Cl DR0788 CAS__NUM CAS 107007-99-8 DR0788 CHEBINUM 5538 DR0789 DRUG__ID DR0789 DR0789 DRUGNAME Grazoprevir DR0789 PUBCMCID 44603531 DR0789 DFORMULA C38H50N6O9S DR0789 INCHIKEY OBMNJSNZOWALQB-NCQNOWPTSA-N DR0789 DRUINCHI 1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1 DR0789 CASMILES CC(C)(C)C1C(=O)N2CC(CC2C(=O)NC3(CC3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=NC6=C(C=CC(=C6)OC)N=C5CCCCCC7CC7OC(=O)N1 DR0789 CAS__NUM CAS 1350514-68-9 DR0789 CHEBINUM 132975 DR0790 DRUG__ID DR0790 DR0790 DRUGNAME Grepafloxacin DR0790 PUBCMCID 72474 DR0790 TTDRUGID D0JL2K DR0790 DFORMULA C19H22FN3O3 DR0790 INCHIKEY AIJTTZAVMXIJGM-UHFFFAOYSA-N DR0790 DRUINCHI 1S/C19H22FN3O3/c1-10-8-22(6-5-21-10)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)9-23(14)12-3-4-12/h7,9-10,12,21H,3-6,8H2,1-2H3,(H,25,26) DR0790 CASMILES CC1CN(CCN1)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)C)F DR0790 CAS__NUM CAS 119914-60-2 DR0790 CHEBINUM 5543 DR0790 PUBCMSID 13542; 603312; 6610845; 8195206; 14852426; 43128629; 46507253; 50042505; 50112780; 50471882; 53788063; 57318735; 103179577; 104011329; 104353024; 124766026; 125536480; 127411146; 134338274; 135029665; 137044453; 143019201; 160963712; 162793470; 163693542; 163852853; 179148061; 184545887; 184546334; 223439875; 224916848; 226420671; 241036011; 242059760 DR0791 DRUG__ID DR0791 DR0791 DRUGNAME Griseofulvin DR0791 PUBCMCID 441140 DR0791 TTDRUGID D0C1SF DR0791 DFORMULA C17H17ClO6 DR0791 INCHIKEY DDUHZTYCFQRHIY-RBHXEPJQSA-N DR0791 DRUINCHI 1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1 DR0791 CASMILES CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC DR0791 CAS__NUM CAS 126-07-8 DR0791 CHEBINUM 27779 DR0791 PUBCMSID 8911; 603057; 1240856; 3139652; 7847276; 7979462; 8149360; 10298748; 10321345; 11335329; 11341607; 11360568; 11361790; 11363710; 11366272; 11368834; 11371221; 11374592; 11376996; 11461540; 11483961; 11487192; 11488029; 11489977; 11492742; 11494630; 11537460; 14778634; 15026839; 17389865; 24869893; 24895099; 24895185; 26613001; 26680363; 26747301; 26747302; 29204198; 36885045; 46508437; 47216648; 47291003; 47736332; 47810614; 47959588; 48034972; 48110318; 48184863; 48259080; 48413831 DR0792 DRUG__ID DR0792 DR0792 DRUGNAME GTS-21 DR0792 PUBCMCID 6438361 DR0792 TTDRUGID D0ZC3C DR0792 DFORMULA C19H22Cl2N2O2 DR0792 INCHIKEY BXKYFUGAAFLYJL-BXGYHSFXSA-N DR0792 DRUINCHI 1S/C19H20N2O2.2ClH/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16;;/h3,6-9,11-13H,4-5,10H2,1-2H3;2*1H/b15-11+;; DR0792 CASMILES COC1=CC(=C(C=C1)C=C2CCCN=C2C3=CN=CC=C3)OC.Cl.Cl DR0792 CAS__NUM CAS 156223-05-1 DR0792 PUBCMSID 11968045; 26683766; 43031369; 50064513; 57368016; 78386875; 114555929; 126671486; 134223068; 134340067; 135076467; 152343602; 175427027; 179294197; 223660378; 228661872; 237364327 DR0793 DRUG__ID DR0793 DR0793 DRUGNAME Guajazulen DR0793 PUBCMCID 3515 DR0793 DFORMULA C15H18 DR0793 INCHIKEY FWKQNCXZGNBPFD-UHFFFAOYSA-N DR0793 DRUINCHI 1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3 DR0793 CASMILES CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C DR0793 CAS__NUM CAS 489-84-9 DR0793 CHEBINUM 5550 DR0794 DRUG__ID DR0794 DR0794 DRUGNAME Guanabenz DR0794 PUBCMCID 5702063 DR0794 TTDRUGID D0L4HY DR0794 DFORMULA C8H8Cl2N4 DR0794 INCHIKEY WDZVGELJXXEGPV-YIXHJXPBSA-N DR0794 DRUINCHI 1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+ DR0794 CASMILES CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl DR0794 CAS__NUM CAS 5051-62-7 DR0794 CHEBINUM 5553 DR0794 PUBCMSID 9246; 113005; 15390940; 17434456; 24607029; 26665151; 26751943; 47206274; 47795034; 48018892; 48169358; 48243349; 48318400; 49698340; 50064822; 50070697; 50104618; 50104619; 57364886; 78424678; 81642163; 85209545; 85787575; 88878415; 90341577; 92098556; 92308809; 103164806; 103826246; 103936653; 114069183; 117464955;124749846; 124886953; 126876159; 131342553; 131342557; 134337546; 134984370; 137010571; 137144691; 137149965; 139524299; 145257345; 160963974; 164037969; 164819317; 175266630; 176483965; 179038222 DR0796 DRUG__ID DR0796 DR0796 DRUGNAME Guanfacine hydrochloride DR0796 PUBCMCID 71401 DR0796 TTDRUGID D0WD8M DR0796 DFORMULA C9H10Cl3N3O DR0796 INCHIKEY DGFYECXYGUIODH-UHFFFAOYSA-N DR0796 DRUINCHI 1S/C9H9Cl2N3O.ClH/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13;/h1-3H,4H2,(H4,12,13,14,15);1H DR0796 CASMILES C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)Cl.Cl DR0796 CAS__NUM CAS 29110-47-2 DR0796 CHEBINUM 5559 DR0796 PUBCMSID 7847672; 10321692; 11532959; 12013435; 14799743; 17405082; 43127732; 49878427; 50106306; 50125709;53777625; 56422899; 57318182; 75139922; 85273773; 91011797; 92125343; 92304014; 103770477; 103840710; 103914179; 104350375; 117464967; 124891653; 126657731; 131315423; 134338574; 135030202; 137074791; 144075859; 144203710; 152106277; 160838238; 162174779; 162247844; 163098785; 163135011; 163403921; 163564473; 163621092; 163686415; 164814341; 170465381; 172908369; 175266064; 175611116; 175611812; 179149181; 185983130; 196106983 DR0797 DRUG__ID DR0797 DR0797 DRUGNAME Guanoxan DR0797 PUBCMCID 16564 DR0797 DFORMULA C10H13N3O2 DR0797 INCHIKEY HIUVKVDQFXDZHU-UHFFFAOYSA-N DR0797 DRUINCHI 1S/C10H13N3O2/c11-10(12)13-5-7-6-14-8-3-1-2-4-9(8)15-7/h1-4,7H,5-6H2,(H4,11,12,13) DR0797 CASMILES C1C(OC2=CC=CC=C2O1)CN=C(N)N DR0797 CAS__NUM CAS 2165-19-7 DR0797 CHEBINUM 134871 DR0798 DRUG__ID DR0798 DR0798 DRUGNAME Halcinonide DR0798 PUBCMCID 443943 DR0798 TTDRUGID D06IIB DR0798 DFORMULA C24H32ClFO5 DR0798 INCHIKEY MUQNGPZZQDCDFT-JNQJZLCISA-N DR0798 DRUINCHI 1S/C24H32ClFO5/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,26)17(28)11-22(16,4)24(19,31-20)18(29)12-25/h9,15-17,19,28H,5-8,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1 DR0798 CASMILES CC1(OC2CC3C4CCC5=CC(=O)CCC5(C4(C(CC3(C2(O1)C(=O)CCl)C)O)F)C)C DR0798 CAS__NUM CAS 3093-35-4 DR0798 CHEBINUM 31663 DR0799 DRUG__ID DR0799 DR0799 DRUGNAME Halofantrine DR0799 PUBCMCID 37393 DR0799 TTDRUGID D07MVK DR0799 DFORMULA C26H30Cl2F3NO DR0799 INCHIKEY FOHHNHSLJDZUGQ-UHFFFAOYSA-N DR0799 DRUINCHI 1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3 DR0799 CASMILES CCCCN(CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O DR0799 CAS__NUM CAS 69756-53-2 DR0799 CHEBINUM 94392 DR0799 PUBCMSID 9836; 603092; 4441467; 7979519; 8174993; 11406986; 11467059; 11468179; 11486828; 14859927; 34678697; 46506753; 47572921; 47572922; 47869196; 48317942; 48416078; 49699380; 50070734; 50123958; 77799953; 87245098; 92719358; 96024726; 103305814; 103994306; 104326444; 117505175; 125356362; 126424569; 126620878; 126653035; 126670922; 127875900; 134338227; 135029301; 135329562; 137251553; 152047097; 160643701; 160964551; 162178795; 163414203; 164786759; 172883008; 174006943; 179117060; 184545611; 196110120; 223400586 DR0801 DRUG__ID DR0801 DR0801 DRUGNAME Haloperidol decanoate DR0801 PUBCMCID 52919 DR0801 TTDRUGID D0D1AL DR0801 DFORMULA C31H41ClFNO3 DR0801 INCHIKEY GUTXTARXLVFHDK-UHFFFAOYSA-N DR0801 DRUINCHI 1S/C31H41ClFNO3/c1-2-3-4-5-6-7-8-11-30(36)37-31(26-14-16-27(32)17-15-26)20-23-34(24-21-31)22-9-10-29(35)25-12-18-28(33)19-13-25/h12-19H,2-11,20-24H2,1H3 DR0801 CASMILES CCCCCCCCCC(=O)OC1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl DR0801 CAS__NUM CAS 74050-97-8 DR0801 CHEBINUM 31664 DR0803 DRUG__ID DR0803 DR0803 DRUGNAME Halothane DR0803 PUBCMCID 3562 DR0803 TTDRUGID D0D8VE DR0803 DFORMULA C2HBrClF3 DR0803 INCHIKEY BCQZXOMGPXTTIC-UHFFFAOYSA-N DR0803 DRUINCHI 1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H DR0803 CASMILES C(C(F)(F)F)(Cl)Br DR0803 CAS__NUM CAS 151-67-7 DR0803 CHEBINUM 5615 DR0803 PUBCMSID 9718; 428040; 3159200; 5123763; 7847608; 7979527; 8145848; 8152252; 10508848; 15067445; 17388981; 24850204; 24891772; 29222693;46506589; 48423484; 48425179; 49855046; 53790292; 56311498; 56311785; 56311842; 56311861; 56313444; 56313445; 56313447; 57321872; 76126220; 92308210; 103242558; 104006665; 104303878; 114917783; 124890113; 124890114; 125539176; 126677461; 127269303; 127269304; 127269305; 127269306; 127269307; 127269308; 127269309; 127269310; 127269311; 127269312; 127269313; 127269314; 127269315 DR0804 DRUG__ID DR0804 DR0804 DRUGNAME HE-3286 DR0804 PUBCMCID 16739648 DR0804 TTDRUGID D02KXW DR0804 DFORMULA C21H30O3 DR0804 INCHIKEY JJKOQZHWYLMASZ-FJWDNACWSA-N DR0804 DRUINCHI 1S/C21H30O3/c1-4-21(24)10-7-16-18-15(6-9-20(16,21)3)19(2)8-5-14(22)11-13(19)12-17(18)23/h1,12,14-18,22-24H,5-11H2,2-3H3/t14-,15-,16-,17-,18+,19-,20-,21-/m0/s1 DR0804 CASMILES CC12CCC(CC1=CC(C3C2CCC4(C3CCC4(C#C)O)C)O)O DR0804 CAS__NUM CAS 1001100-69-1 DR0804 PUBCMSID 26698508; 46148845; 46572771; 135263890; 135264414; 138016872; 139726790; 152186793; 198962616; 226826024; 248094912 DR0806 DRUG__ID DR0806 DR0806 DRUGNAME Heparin DR0806 PUBCMCID 772 DR0806 TTDRUGID D0MX5S DR0806 DFORMULA C26H42N2O37S5 DR0806 INCHIKEY HTTJABKRGRZYRN-UHFFFAOYSA-N DR0806 DRUINCHI 1S/C26H42N2O37S5/c1-4(30)27-7-9(31)13(6(56-23(7)39)3-55-67(43,44)45)58-26-19(65-70(52,53)54)12(34)16(20(62-26)22(37)38)60-24-8(28-66(40,41)42)15(63-68(46,47)48)14(5(2-29)57-24)59-25-18(64-69(49,50)51)11(33)10(32)17(61-25)21(35)36/h5-20,23-26,28-29,31-34,39H,2-3H2,1H3,(H,27,30)(H,35,36)(H,37,38)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54) DR0806 CASMILES CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O DR0806 CAS__NUM CAS 9005-49-6 DR0806 CHEBINUM 28304 DR0806 PUBCMSID 24439133; 46505194; 46507450; 53787364; 57320468; 76657000; 81065629; 103121404; 104295808; 137267081; 160963753; 178103417; 179235956; 210275694; 210281353; 226852693 DR0807 DRUG__ID DR0807 DR0807 DRUGNAME Heroin DR0807 PUBCMCID 5462328 DR0807 TTDRUGID D0T6WT DR0807 DFORMULA C21H23NO5 DR0807 INCHIKEY GVGLGOZIDCSQPN-PVHGPHFFSA-N DR0807 DRUINCHI 1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1 DR0807 CASMILES CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)OC(=O)C)CCN3C DR0807 CAS__NUM CAS 561-27-3 DR0807 CHEBINUM 27808 DR0807 PUBCMSID 8764; 841230; 11533163; 11688544; 14803926; 15375034; 24895466; 39459487; 46506839; 49992771; 51091623; 53788776; 57363457; 57654237; 78295149; 103607696; 127272440; 127272441; 127272442; 127272443; 127272444; 127272445; 127272446; 127272447; 127272448; 128011355; 134977824; 137001239; 137174640; 144206165; 160964715; 162221988; 162264004; 164842106; 175268259; 179293292; 184548227; 198993338; 226421461 DR0808 DRUG__ID DR0808 DR0808 DRUGNAME Hesperetin DR0808 PUBCMCID 72281 DR0808 TTDRUGID D07MGA DR0808 DFORMULA C16H14O6 DR0808 INCHIKEY AIONOLUJZLIMTK-AWEZNQCLSA-N DR0808 DRUINCHI 1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1 DR0808 CASMILES COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O DR0808 CAS__NUM CAS 520-33-2 DR0808 CHEBINUM 28230 DR0808 PUBCMSID 4847; 597194; 877412; 8149172; 8195111; 10321847; 11112384; 11112385; 11336214; 11361453; 11363075; 11365637; 11368199; 11372127; 11375448; 11376361; 11462425; 11466152; 11467272; 11485481; 11485843; 11489609; 11490919; 11493749; 11493995; 11537620; 16889621; 24895619; 26613332; 26680108; 26744164; 26754195; 26754196; 29204220; 43128472; 46507998; 47365297; 47365298; 47440361; 47515405; 47515406; 47885508; 47959861; 48035231; 48110539; 48259342; 48421825; 49698360; 50069543; 50091682 DR0809 DRUG__ID DR0809 DR0809 DRUGNAME VA-10872 DR0809 PUBCMCID 3608 DR0809 TTDRUGID D00ETS DR0809 DFORMULA C12H16N2O3 DR0809 INCHIKEY UYXAWHWODHRRMR-UHFFFAOYSA-N DR0809 DRUINCHI 1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17) DR0809 CASMILES CC1(C(=O)NC(=O)N(C1=O)C)C2=CCCCC2 DR0809 CAS__NUM CAS 56-29-1 DR0809 CHEBINUM 5706 DR0809 PUBCMSID 13888; 114792; 4911070; 7848134; 8147019; 8152276; 10527424; 15415683; 24895418; 26754503; 29215369; 29222734; 46508777; 47194291; 47959959; 48416081; 49873997; 57309846; 57321894; 57654225; 79698506; 92714691; 103165870; 104304001; 104903183; 117838626; 118856010; 124813353; 124892192; 125309499; 125488787; 126623945; 129440427; 134337977; 134972602; 135194968; 135300355; 137101291; 139408774; 144205214; 144205215; 144236491; 160964645; 163050404; 164815041; 170250749; 170465860; 176267018; 179225803; 179296095 DR0810 DRUG__ID DR0810 DR0810 DRUGNAME Histamine DR0810 PUBCMCID 774 DR0810 TTDRUGID D04USC DR0810 DFORMULA C5H9N3 DR0810 INCHIKEY NTYJJOPFIAHURM-UHFFFAOYSA-N DR0810 DRUINCHI 1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8) DR0810 CASMILES C1=C(NC=N1)CCN DR0810 CAS__NUM CAS 75614-87-8 DR0810 CHEBINUM 18295 DR0810 PUBCMSID 3678; 91789; 609692; 822767; 824161; 853773; 3156918; 3221723; 3727072; 5065169; 5186157; 6436474; 7735853; 7888228; 7979989; 8139979; 8143824; 8150782; 10524836; 11108702; 11111275; 11120367; 11120855; 11121343; 11121734; 11122214; 11335483; 11360722; 11362871; 11363739; 11365433; 11366301; 11367995; 11368863; 11370953; 11370954; 11371444; 11373596; 11374718; 11376157; 11377025; 11461694; 11484465; 11488481; 11490268; 11492775; 11494659; 11537616; 15146444; 16080673 DR0811 DRUG__ID DR0811 DR0811 DRUGNAME Human calcitonin DR0811 PUBCMCID 16220016 DR0813 DRUG__ID DR0813 DR0813 DRUGNAME Hydralazine hydrochloride DR0813 PUBCMCID 9351 DR0813 TTDRUGID D0K1XK DR0813 DFORMULA C8H9ClN4 DR0813 INCHIKEY ZUXNZUWOTSUBMN-UHFFFAOYSA-N DR0813 DRUINCHI 1S/C8H8N4.ClH/c9-11-8-7-4-2-1-3-6(7)5-10-12-8;/h1-5H,9H2,(H,11,12);1H DR0813 CASMILES C1=CC=C2C(=C1)C=NN=C2NN.Cl DR0813 CAS__NUM CAS 304-20-1 DR0813 CHEBINUM 31672 DR0816 DRUG__ID DR0816 DR0816 DRUGNAME Hydrocodone bitartrate DR0816 PUBCMCID 20831824 DR0816 DFORMULA C22H27NO9 DR0816 INCHIKEY OJHZNMVJJKMFGX-RNWHKREASA-N DR0816 DRUINCHI 1S/C18H21NO3.C4H6O6/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;5-1(3(7)8)2(6)4(9)10/h3,6,11-12,17H,4-5,7-9H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-,12+,17-,18-;/m0./s1 DR0816 CASMILES CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(=O)CC4.C(C(C(=O)O)O)(C(=O)O)O DR0816 CAS__NUM CAS 143-71-5 DR0819 DRUG__ID DR0819 DR0819 DRUGNAME Hydrocortisone DR0819 PUBCMCID 5754 DR0819 TTDRUGID D0KR5B DR0819 DFORMULA C21H30O5 DR0819 INCHIKEY JYGXADMDTFJGBT-VWUMJDOOSA-N DR0819 DRUINCHI 1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 DR0819 CASMILES CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O DR0819 CAS__NUM CAS 50-23-7 DR0819 CHEBINUM 17650 DR0819 PUBCMSID 3998; 75748; 841765; 855803; 3154635; 4266384; 7847156; 7979545; 8138524; 8144588; 8153531; 10321360; 11404513;11466475; 11467595; 11486169; 12013447; 14828390; 14852592; 17405156; 22391546; 24278466; 24715473; 24895394; 24895401; 24895415; 24895560; 24895778; 26737242; 26738006; 26751519; 26751520; 29224790;46488041; 46505089; 47275088; 47348953; 47423772; 47646134; 47646135; 48393456; 48413873; 49698498; 49703922; 49846290; 49857418; 53777700; 53790729; 53801089; 53813055 DR0832 DRUG__ID DR0832 DR0832 DRUGNAME Hydrogen peroxide DR0832 PUBCMCID 784 DR0832 TTDRUGID D03IDU DR0832 DFORMULA H2O2 DR0832 INCHIKEY MHAJPDPJQMAIIY-UHFFFAOYSA-N DR0832 DRUINCHI 1S/H2O2.O.U/c1-2;;/h1-2H;;/q;-2; DR0832 CASMILES [O-2].OO.[U] DR0832 CAS__NUM CAS 7722-84-1 DR0832 CHEBINUM 16240 DR0833 DRUG__ID DR0833 DR0833 DRUGNAME Hydromorphone DR0833 PUBCMCID 5284570 DR0833 TTDRUGID D04JHN DR0833 DFORMULA C17H19NO3 DR0833 INCHIKEY WVLOADHCBXTIJK-YNHQPCIGSA-N DR0833 DRUINCHI 1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/t10-,11+,16-,17-/m0/s1 DR0833 CASMILES CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(=O)CC4 DR0833 CAS__NUM CAS 466-99-9 DR0833 CHEBINUM 5790 DR0833 PUBCMSID 9254; 81990; 7979546; 11039353; 14751077; 14873177; 39317885; 46508700; 48416092; 49993162; 50070721; 56394822; 57359121; 77568926; 96024740; 103557031; 104098728; 129640116; 134222944; 134337767; 134974682; 137005111; 139157539; 160963675; 175268533; 178103661; 179116727; 184536600; 198992261; 223798795; 226394766; 250134622; 252350812 DR0835 DRUG__ID DR0835 DR0835 DRUGNAME Hydroquinone DR0835 PUBCMCID 785 DR0835 TTDRUGID D03UOT DR0835 DFORMULA C6H6O2 DR0835 INCHIKEY QIGBRXMKCJKVMJ-UHFFFAOYSA-N DR0835 DRUINCHI 1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H DR0835 CASMILES C1=CC(=CC=C1O)O DR0835 CAS__NUM CAS 123-31-9 DR0835 CHEBINUM 17594 DR0835 PUBCMSID 2806; 3812; 74764; 588856; 596756; 3133423; 3727025; 5137602; 7847141; 8139895; 8144595; 8150790; 10505937; 11111286; 11342040;11362223; 11364651; 11367213; 11369775; 11371611; 11374385; 11377937; 11485619; 11487625; 11489488; 11490472; 11492448; 11495571; 14709376; 14842848; 17389853; 17405139; 24278475; 24439146; 24895484;24895587; 24895884; 26612686; 26679214; 26747267; 26747268; 36588004; 41135091; 46484887; 46500618; 47885526; 48110568; 48259371; 48413875; 48417398 DR0837 DRUG__ID DR0837 DR0837 DRUGNAME Hydroxychloroquine sulfate DR0837 PUBCMCID 12947 DR0837 TTDRUGID D0OJ4L DR0837 DFORMULA C18H28ClN3O5S DR0837 INCHIKEY JCBIVZZPXRZKTI-UHFFFAOYSA-N DR0837 DRUINCHI 1S/C18H26ClN3O.H2O4S/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18;1-5(2,3)4/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21);(H2,1,2,3,4) DR0837 CASMILES CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO.OS(=O)(=O)O DR0837 CAS__NUM CAS 747-36-4 DR0839 DRUG__ID DR0839 DR0839 DRUGNAME Hydroxyprogesterone caproate DR0839 PUBCMCID 169870 DR0839 TTDRUGID D00AEQ DR0839 DFORMULA C27H40O4 DR0839 INCHIKEY DOMWKUIIPQCAJU-LJHIYBGHSA-N DR0839 DRUINCHI 1S/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3/t21-,22+,23+,25+,26+,27+/m1/s1 DR0839 CASMILES CCCCCC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(=O)C DR0839 CAS__NUM CAS 630-56-8 DR0839 CHEBINUM 5812 DR0839 PUBCMSID 10348; 80880; 855528; 7848012; 10257140; 12209772; 15007174; 24895697; 46243005; 49834232; 53788881; 56424128; 57351759; 75144784; 81093219; 87571349; 90473603; 93576739; 103770831; 103823738; 113466682; 117622268; 124576771; 124799532; 124886752; 127764370; 131321883; 131549786; 134976956; 137124474; 143449668; 144207051; 144212650; 160843844; 162092117; 163270260; 164788675; 170465210; 174529979; 175265862; 179316277; 184545682; 198993584; 223439966; 226397056; 241113174; 250112560; 252122136; 252308498; 252401932 DR0840 DRUG__ID DR0840 DR0840 DRUGNAME Hydroxyzine DR0840 PUBCMCID 3658 DR0840 TTDRUGID D0O6SX DR0840 DFORMULA C21H27ClN2O2 DR0840 INCHIKEY ZQDWXGKKHFNSQK-UHFFFAOYSA-N DR0840 DRUINCHI 1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2 DR0840 CASMILES C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl DR0840 CAS__NUM CAS 68-88-2 DR0840 CHEBINUM 5818 DR0840 PUBCMSID 9257; 442157; 6240382; 7979552; 8152312; 10532787; 11466161; 11467281; 11485881; 14853297; 29222782; 46508556; 47434366; 47509553; 47583264; 47879646; 48416096; 49698864; 49846689; 49967650; 50139270; 50826383; 57321926; 85209633; 85787868; 85789191; 92729849; 96024747; 103234893; 104304148; 107881553; 118261336; 124561307; 124883569; 124883570; 124883571; 124883573; 124889816; 125823731; 125948273; 126687301; 127310111; 127310112; 127310113; 127310114; 127310115; 129939125; 134337636; 134357363; 134971373 DR0841 DRUG__ID DR0841 DR0841 DRUGNAME LM-94 DR0841 PUBCMCID 5280567 DR0841 DFORMULA C10H8O3 DR0841 INCHIKEY HSHNITRMYYLLCV-UHFFFAOYSA-N DR0841 DRUINCHI 1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3 DR0841 CASMILES CC1=CC(=O)OC2=C1C=CC(=C2)O DR0841 CAS__NUM CAS 90-33-5 DR0841 CHEBINUM 17224 DR0842 DRUG__ID DR0842 DR0842 DRUGNAME Hypoxanthine DR0842 PUBCMCID 790 DR0842 TTDRUGID D03HVE DR0842 DFORMULA C5H4N4O DR0842 INCHIKEY FDGQSTZJBFJUBT-UHFFFAOYSA-N DR0842 DRUINCHI 1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) DR0842 CASMILES C1=NC2=C(N1)C(=O)N=CN2 DR0842 CAS__NUM CAS 68-94-0 DR0842 PUBCMSID 2813; 3560; 540767; 589179; 618936; 3133523; 5248991; 6282154; 6356782; 6380308; 7888201; 8144165; 10532804; 11088539; 11341732; 11361915; 11364311; 11366873; 11369435; 11372482; 11375322; 11377597; 11485610; 11487317; 11489723; 11491167; 11493556; 11495231; 11536560; 11538005; 14747719; 15016626; 16142119; 16769078; 16997017; 22389259; 24439150; 24895400; 24895850; 24895864; 26613338; 26679242; 26702295; 26702297; 26702301; 26707407; 26707409; 26707413; 26710045; 26710449 DR0843 DRUG__ID DR0843 DR0843 DRUGNAME Ibrutinib DR0843 PUBCMCID 24821094 DR0843 TTDRUGID D09KTS DR0843 DFORMULA C25H24N6O2 DR0843 INCHIKEY XYFPWWZEPKGCCK-GOSISDBHSA-N DR0843 DRUINCHI 1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1 DR0843 CASMILES C=CC(=O)N1CCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N DR0843 CAS__NUM CAS 936563-96-1 DR0843 CHEBINUM 76612 DR0843 PUBCMSID 49837088; 57132050; 123051065; 124898784; 124898785; 136940589; 136961336; 137472671; 152258295;160647134; 162202692; 163312254; 163679284; 164045821; 164193915; 165245631; 171572071; 172919350; 174007139; 175267389; 176250273; 178103494; 184611713; 184816969; 189025882; 198993428; 215784879; 223375297; 223485070; 223600477; 223685684; 223704724; 224184328; 226558356; 242585660; 247523488; 249736825; 251971042; 252088605; 252110183; 252160516; 252215999; 252451849 DR0844 DRUG__ID DR0844 DR0844 DRUGNAME Ibuprofen DR0844 PUBCMCID 3672 DR0844 TTDRUGID D0R1QE DR0844 DFORMULA C13H18O2 DR0844 INCHIKEY HEFNNWSXXWATRW-UHFFFAOYSA-N DR0844 DRUINCHI 1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) DR0844 CASMILES CC(C)CC1=CC=C(C=C1)C(C)C(=O)O DR0844 CAS__NUM CAS 15687-27-1 DR0844 CHEBINUM 5855 DR0844 PUBCMSID 4743; 138460; 611158; 855602; 3140375; 7647311; 7847194; 7979568; 8062120; 8147017; 8149384; 8152318; 10509306; 11152950; 11336062; 11361301; 11363743; 11366305; 11368867; 11371490; 11373528; 11377029; 11406458; 11462273; 11483914; 11487945; 11490281; 11491830; 11494663; 14822381; 17405252; 24277715; 24896130; 25623341; 26611780; 26679534; 26747223; 26747224; 26752326; 26758921; 29222795; 46507255; 47217047; 47515579; 47885643; 47959999; 48413891; 48416098; 49761821; 49831178 DR0850 DRUG__ID DR0850 DR0850 DRUGNAME Icodextrin DR0850 PUBCMCID 3517 DR0850 TTDRUGID D02YCH DR0850 DFORMULA C8H8Cl2N4 DR0850 INCHIKEY WDZVGELJXXEGPV-UHFFFAOYSA-N DR0850 DRUINCHI 1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+ DR0850 CASMILES C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)Cl.Cl DR0850 CAS__NUM CAS 337376-15-5 DR0851 DRUG__ID DR0851 DR0851 DRUGNAME BPI-2009 DR0851 PUBCMCID 22024915 DR0851 TTDRUGID D06WRJ DR0851 DFORMULA C22H21N3O4 DR0851 INCHIKEY QQLKULDARVNMAL-UHFFFAOYSA-N DR0851 DRUINCHI 1S/C22H21N3O4/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20/h1,3-5,12-15H,6-11H2,(H,23,24,25) DR0851 CASMILES C#CC1=CC(=CC=C1)NC2=NC=NC3=CC4=C(C=C32)OCCOCCOCCO4 DR0851 CAS__NUM CAS 610798-31-7 DR0851 PUBCMSID 37614496; 55538028; 85182161; 136920399; 139213683; 160707851; 160870172; 162009854; 162108694; 184815784; 198986148; 210275187; 210280827; 223365976; 223856036; 226087987; 231627548; 242060251; 247237456; 252472035 DR0852 DRUG__ID DR0852 DR0852 DRUGNAME Idarubicin DR0852 PUBCMCID 42890 DR0852 TTDRUGID D01XDL DR0852 DFORMULA C26H27NO9 DR0852 INCHIKEY XDXDZDZNSLXDNA-TZNDIEGXSA-N DR0852 DRUINCHI 1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17-,21+,26-/m0/s1 DR0852 CASMILES CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O DR0852 CAS__NUM CAS 58957-92-9 DR0852 CHEBINUM 42068 DR0852 PUBCMSID 794734; 7887077; 7979585; 8177897; 11378086; 14810780; 14908709; 17405162; 24278488; 26697284; 26704230; 26704281;34708383; 46506973; 47959947; 48416101; 49995025; 50106402; 50106403; 50106404; 53777706; 53788391; 57312753; 79820214; 85789484; 87325144; 90340569; 92303774; 92308741; 96024754; 103311042; 104340903; 117597729; 117695696; 121361286; 124749845; 124891657; 126626724; 126661729; 127301008; 127301009; 127301010; 127301011; 127301012; 127301013; 127301014; 127301015; 127301016; 127301017; 127301018 DR0853 DRUG__ID DR0853 DR0853 DRUGNAME Idebenone DR0853 PUBCMCID 3686 DR0853 TTDRUGID D0MM8N DR0853 DFORMULA C19H30O5 DR0853 INCHIKEY JGPMMRGNQUBGND-UHFFFAOYSA-N DR0853 DRUINCHI 1S/C19H30O5/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h20H,4-13H2,1-3H3 DR0853 CASMILES CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCO DR0853 CAS__NUM CAS 58186-27-9 DR0853 CHEBINUM 31687 DR0853 PUBCMSID 1916788; 4725770; 7848813; 8152329; 12012810; 14802277; 26719872; 29216196; 29222809; 46386682; 49681642; 49957336; 56313750; 57321939; 78556875; 81041137; 81093345; 85279384; 88800993; 92308516; 92308744; 92710538; 103060386; 103556242; 104304229; 124658851; 125353623; 126631778; 126658121; 126665893; 128272043; 131319704; 131905204; 135003257; 135692548; 135698082; 136990616; 137027889; 142735616; 143492810; 144075938; 144205417; 152242914; 160871272; 162022270; 162038194; 162173185; 163079053; 164802349; 169618917 DR0854 DRUG__ID DR0854 DR0854 DRUGNAME Idelalisib DR0854 PUBCMCID 11625818 DR0854 TTDRUGID D0J5VR DR0854 DFORMULA C22H18FN7O DR0854 INCHIKEY IFSDAJWBUCMOAH-HNNXBMFYSA-N DR0854 DRUINCHI 1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1 DR0854 CASMILES CCC(C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5 DR0854 CAS__NUM CAS 870281-82-6 DR0854 CHEBINUM 82701 DR0854 PUBCMSID 16728852; 78058152; 124360767; 124757878; 125164680; 135294860; 136023431; 136340110; 136350004; 136367521; 136368015; 137275917; 141870606; 144115773; 152258425; 160647261; 160778577; 162011391; 162038002; 162202617; 163315619; 163352092; 163642790; 163908064; 164043527; 164193919; 170497648; 170501514; 172650954; 172913174; 174531110; 177749172; 178103352; 184826685; 198954688; 198994003; 215785737; 223447422; 223471406; 223573729; 223705059; 224220340; 225144930; 226689936; 248327652; 249737291; 249814532; 249828711; 250183703; 250220450 DR0855 DRUG__ID DR0855 DR0855 DRUGNAME Ifosfamide DR0855 PUBCMCID 3690 DR0855 TTDRUGID D02TLO DR0855 DFORMULA C7H15Cl2N2O2P DR0855 INCHIKEY HOMGKSMUEGBAAB-UHFFFAOYSA-N DR0855 DRUINCHI 1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12) DR0855 CASMILES C1CN(P(=O)(OC1)NCCCl)CCCl DR0855 CAS__NUM CAS 3778-73-2 DR0855 CHEBINUM 5864 DR0855 PUBCMSID 9259; 222385; 301170; 4725775; 7847409; 7979588; 8152333; 11112546; 11404628; 11466861; 11467981; 11486442; 14823762; 29222813; 46508335; 47440513; 47662533; 47811010; 47959991; 48413921; 48423569; 49699179; 49854327; 50000801; 50124150; 53789434; 56313681; 56463644; 57321943; 79550110; 85174241; 87350409; 92125751; 92308097; 92309248; 92717658; 99418082; 99437241; 103274495; 103914488; 104304241; 118043408; 119526434; 121363422; 124757155; 124800304; 124893609; 124893610; 125163959; 125349289 DR0856 DRUG__ID DR0856 DR0856 DRUGNAME Iloperidone DR0856 PUBCMCID 71360 DR0856 TTDRUGID D0M8VE DR0856 DFORMULA C24H27FN2O4 DR0856 INCHIKEY XMXHEBAFVSFQEX-UHFFFAOYSA-N DR0856 DRUINCHI 1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3 DR0856 CASMILES CC(=O)C1=CC(=C(C=C1)OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)OC DR0856 CAS__NUM CAS 133454-47-4 DR0856 CHEBINUM 65173 DR0856 PUBCMSID 8194581; 12014542; 14905142; 17396835; 43127698; 47359860; 47359861; 47731199; 48404440; 50064358; 51401239; 57318156; 85209859; 92712438; 93301492; 99246148; 99437181; 103176655; 103856472; 103942259; 104350273; 109693466; 117566372; 118050578; 124757285; 124899318; 125164089; 125340171; 126625565; 126656709; 126666080;129711844; 131297754; 134339308; 135029478; 135587716; 135650377; 135692163; 135697544; 136367918; 137249342; 142584651; 144116064; 144207159; 152344064; 160645064; 162011651; 162037626; 162172136; 163123672 DR0858 DRUG__ID DR0858 DR0858 DRUGNAME Imatinib mesylate DR0858 PUBCMCID 123596 DR0858 TTDRUGID D0AZ3C DR0858 DFORMULA C30H35N7O4S DR0858 INCHIKEY YLMAHDNUQAMNNX-UHFFFAOYSA-N DR0858 DRUINCHI 1S/C29H31N7O.CH4O3S/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-5(2,3)4/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);1H3,(H,2,3,4) DR0858 CASMILES CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5.CS(=O)(=O)O DR0858 CAS__NUM CAS 220127-57-1 DR0858 CHEBINUM 31690 DR0859 DRUG__ID DR0859 DR0859 DRUGNAME TA-6366 DR0859 PUBCMCID 5464343 DR0859 DFORMULA C20H27N3O6 DR0859 INCHIKEY KLZWOWYOHUKJIG-BPUTZDHNSA-N DR0859 DRUINCHI 1S/C20H27N3O6/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26)/t13-,15-,16-/m0/s1 DR0859 CASMILES CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C(CN(C2=O)C)C(=O)O DR0859 CAS__NUM CAS 89371-37-9 DR0859 CHEBINUM 135654 DR0861 DRUG__ID DR0861 DR0861 DRUGNAME Imipramine hydrochloride DR0861 PUBCMCID 8228 DR0861 TTDRUGID D06ZUK DR0861 DFORMULA C19H25ClN2 DR0861 INCHIKEY XZZXIYZZBJDEEP-UHFFFAOYSA-N DR0861 DRUINCHI 1S/C19H24N2.ClH/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21;/h3-6,8-11H,7,12-15H2,1-2H3;1H DR0861 CASMILES CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31.Cl DR0861 CAS__NUM CAS 113-52-0 DR0861 CHEBINUM 5882 DR0862 DRUG__ID DR0862 DR0862 DRUGNAME Imipramine oxide DR0862 PUBCMCID 65589 DR0862 DFORMULA C19H24N2O DR0862 INCHIKEY QZIQORUGXBPDSU-UHFFFAOYSA-N DR0862 DRUINCHI 1S/C19H24N2O/c1-21(2,22)15-7-14-20-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20/h3-6,8-11H,7,12-15H2,1-2H3 DR0862 CASMILES C[N+](C)(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)[O-] DR0862 CAS__NUM CAS 6829-98-7 DR0862 CHEBINUM 135256 DR0864 DRUG__ID DR0864 DR0864 DRUGNAME Imiquimod DR0864 PUBCMCID 57469 DR0864 TTDRUGID D06CTE DR0864 DFORMULA C14H16N4 DR0864 INCHIKEY DOUYETYNHWVLEO-UHFFFAOYSA-N DR0864 DRUINCHI 1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17) DR0864 CASMILES CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2N DR0864 CAS__NUM CAS 99011-02-6 DR0864 CHEBINUM 36704 DR0864 PUBCMSID 626307; 865810; 7740549; 8185255; 12013659; 14749564; 17396674; 17425421; 24724516; 25623636; 26752301; 26758924; 43115161; 46505394; 48426262; 49835865; 50065439; 53788646; 56313523; 57313902; 61128040; 74724996; 85174371; 87561300; 92309250; 92712277; 93167017; 99437194; 103396795; 104098475; 104312759; 117524043; 117779671; 118046220; 124757085; 124800125; 125163889; 125325444; 125360574; 126592901; 126630136; 126656817; 126670841; 127765602; 131331797; 131789979; 134337592; 135015330; 135698182; 136023845 DR0867 DRUG__ID DR0867 DR0867 DRUGNAME Indacaterol maleate DR0867 PUBCMCID 9827599 DR0867 TTDRUGID D03DJL DR0867 DFORMULA C28H32N2O7 DR0867 INCHIKEY IREJFXIHXRZFER-PCBAQXHCSA-N DR0867 DRUINCHI 1S/C24H28N2O3.C4H4O4/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24;5-3(6)1-2-4(7)8/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29);1-2H,(H,5,6)(H,7,8)/b;2-1-/t22-;/m0./s1 DR0867 CASMILES CCC1=C(C=C2CC(CC2=C1)NCC(C3=C4C=CC(=O)NC4=C(C=C3)O)O)CC.C(=CC(=O)O)C(=O)O DR0867 CAS__NUM CAS 753498-25-8 DR0867 CHEBINUM 68573 DR0868 DRUG__ID DR0868 DR0868 DRUGNAME Indapamide DR0868 PUBCMCID 3702 DR0868 TTDRUGID D0H8FH DR0868 DFORMULA C16H16ClN3O3S DR0868 INCHIKEY NDDAHWYSQHTHNT-UHFFFAOYSA-N DR0868 DRUINCHI 1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23) DR0868 CASMILES CC1CC2=CC=CC=C2N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N DR0868 CAS__NUM CAS 26807-65-8 DR0868 CHEBINUM 5893 DR0868 PUBCMSID 855885; 7548663; 7847411; 7979602; 8149386; 8152339; 11335683; 11360922; 11363811; 11366373; 11368935; 11371494; 11373532; 11377097; 11461894; 11484755; 11488796; 11490283; 11491832; 11494731; 14828553; 24895952; 26611782; 26680433; 26747199; 26747200; 29222825; 46508626; 47216741; 47515281; 48184956; 48259190; 48259191; 48334450; 49698709; 49832093; 49876093; 56413189; 56422467; 57321947; 57654295; 80156605; 80953761; 85086931; 85148358; 85788440; 87561081; 92124043; 92307457; 92309252 DR0869 DRUG__ID DR0869 DR0869 DRUGNAME Indenolol DR0869 PUBCMCID 71955 DR0869 DFORMULA C15H21NO2 DR0869 INCHIKEY MPGBPFMOOXKQRX-UHFFFAOYSA-N DR0869 DRUINCHI 1S/C15H21NO2/c1-11(2)16-9-13(17)10-18-15-8-4-6-12-5-3-7-14(12)15/h3-4,6-8,11,13,16-17H,5,9-10H2,1-2H3 DR0869 CASMILES CC(C)NCC(COC1=CC=CC2=C1C=CC2)O DR0869 CAS__NUM CAS 60607-68-3 DR0871 DRUG__ID DR0871 DR0871 DRUGNAME Indinavir sulfate DR0871 PUBCMCID 5462355 DR0871 TTDRUGID D0V7CF DR0871 DFORMULA C36H49N5O8S DR0871 INCHIKEY NUBQKPWHXMGDLP-BDEHJDMKSA-N DR0871 DRUINCHI 1S/C36H47N5O4.H2O4S/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43;1-5(2,3)4/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45);(H2,1,2,3,4)/t28-,29+,31+,32-,33+;/m1./s1 DR0871 CASMILES CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=CN=CC=C5.OS(=O)(=O)O DR0871 CAS__NUM CAS 157810-81-6 DR0871 CHEBINUM 5899 DR0873 DRUG__ID DR0873 DR0873 DRUGNAME E-7070 DR0873 PUBCMCID 216468 DR0873 TTDRUGID D04IIU DR0873 DFORMULA C14H12ClN3O4S2 DR0873 INCHIKEY SETFNECMODOHTO-UHFFFAOYSA-N DR0873 DRUINCHI 1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20) DR0873 CASMILES C1=CC2=C(C(=C1)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N)NC=C2Cl DR0873 CAS__NUM CAS 165668-41-7 DR0873 CHEBINUM 145431 DR0873 PUBCMSID 9372911; 12015040; 14902746; 30420152; 46511460; 47206369; 49879993; 50885085; 53790787; 57399788; 103276735; 103832676; 113461710; 117631365; 126671562; 129225625; 134341871; 135135024; 137094473; 140360685; 165247707; 172821404; 176225599; 178103625; 179294234; 184527860; 198956059; 215780859; 223661106; 226469362; 252215593 DR0875 DRUG__ID DR0875 DR0875 DRUGNAME Indomethacin DR0875 PUBCMCID 3715 DR0875 TTDRUGID D0R1RS DR0875 DFORMULA C19H16ClNO4 DR0875 INCHIKEY CGIGDMFJXJATDK-UHFFFAOYSA-N DR0875 DRUINCHI 1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) DR0875 CASMILES CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O DR0875 CAS__NUM CAS 53-86-1 DR0875 CHEBINUM 49662 DR0875 PUBCMSID 5032; 611045; 612102; 832223; 841055; 856012; 3225554; 5208606; 6435989; 7847209; 7888379; 7979604; 8027945; 8027950; 8027958; 8149387; 8152346; 10321568; 10525985; 11111328; 11111329; 11113361; 11121750; 11122230; 11335446; 11360685; 11362903; 11363813; 11365465; 11366375; 11368027; 11368937; 11370997; 11370998; 11371496; 11373534; 11373628; 11376189; 11377099; 11404374; 11446060; 11461657; 11466300; 11467420; 11484715; 11486099; 11488786; 11490284; 11491833; 11494733 DR0876 DRUG__ID DR0876 DR0876 DRUGNAME Indoramin DR0876 PUBCMCID 33625 DR0876 TTDRUGID D02LHR DR0876 DFORMULA C22H25N3O DR0876 INCHIKEY JXZZEXZZKAWDSP-UHFFFAOYSA-N DR0876 DRUINCHI 1S/C22H25N3O/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21/h1-9,16,19,23H,10-15H2,(H,24,26) DR0876 CASMILES C1CN(CCC1NC(=O)C2=CC=CC=C2)CCC3=CNC4=CC=CC=C43 DR0876 CAS__NUM CAS 26844-12-2 DR0876 CHEBINUM 135470 DR0876 PUBCMSID 3145511; 4954321; 7979608; 8173213; 11393053; 14778365; 26534678; 29217568; 34675413; 47206378; 47227712; 47301929; 47451424; 47747528; 47971029; 48345790; 49671666; 49876989; 50603739; 57311546; 85209952; 89765137; 92270335; 103006849; 103194521; 103941454; 104316511; 117564550; 124638943; 125163373; 125433253; 128343844; 134224549; 134340978; 134997857; 135650391; 136050062; 137248543; 141645446; 152133947; 162185578; 179150251; 184547504; 187071875; 198950576; 223519058; 224810415; 226433258; 226433259; 241046546 DR0877 DRUG__ID DR0877 DR0877 DRUGNAME Ipecac DR0877 PUBCMCID 135314942 DR0877 TTDRUGID D03FEO DR0877 DFORMULA C20H30ClN7O DR0877 INCHIKEY RMSPDXQDMUBKTG-UHFFFAOYSA-N DR0877 DRUINCHI 1S/C20H30ClN7O/c1-13(2)8-17(22)20(29)19-9-14(3)6-7-27(19)24-11-15-10-16(21)4-5-18(15)28-12-23-25-26-28/h4-5,10,12-14,17,19,24H,6-9,11,22H2,1-3H3 DR0877 CASMILES CC1CCN(C(C1)C(=O)C(CC(C)C)N)NCC2=C(C=CC(=C2)Cl)N3C=NN=N3 DR0878 DRUG__ID DR0878 DR0878 DRUGNAME CCRIS-1920 DR0878 PUBCMCID 3747 DR0878 TTDRUGID D0R2OA DR0878 DFORMULA C18H16O3 DR0878 INCHIKEY SFBODOKJTYAUCM-UHFFFAOYSA-N DR0878 DRUINCHI 1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3 DR0878 CASMILES CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3 DR0878 CAS__NUM CAS 35212-22-7 DR0878 CHEBINUM 31719 DR0878 PUBCMSID 856008; 866504; 3154051; 3499521; 5243558; 7848401; 8152370; 12013104; 14873001; 24863826; 26719630; 29204277; 29215021; 29222867; 46386694; 47291224; 47885509; 49889733; 50100853; 50480753; 53790741; 56313751; 56422482; 57321972; 81093154; 87559041; 89258813; 92308425; 92710569; 99233462; 103418150; 103843467; 104304403; 108174579; 114917320; 117586186; 124365789; 124585253; 124658956; 124800959; 124883352; 124883353; 124883354; 125536904; 126631746; 126664382; 129226904; 135029160; 137115739; 142970897 DR0879 DRUG__ID DR0879 DR0879 DRUGNAME Irbesartan DR0879 PUBCMCID 3749 DR0879 TTDRUGID D00JAU DR0879 DFORMULA C25H28N6O DR0879 INCHIKEY YOSHYTLCDANDAN-UHFFFAOYSA-N DR0879 DRUINCHI 1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) DR0879 CASMILES CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 DR0879 CAS__NUM CAS 138402-11-6 DR0879 CHEBINUM 5959 DR0879 PUBCMSID 9672; 5243560; 7847589; 8152372; 11364645; 11367207; 11369769; 11372006; 11374741; 11377931; 11485625; 11489491; 11490809; 11492936; 11495565; 11528645; 12014641; 14758693; 14905264; 26612692; 26680708; 26719813; 26748950; 26748951; 29222869; 46386566; 46506575; 46530573; 47365300; 48035232; 48416128; 49681744; 49830881; 50107493; 53787775; 56312044; 56313979; 57321974; 77118987; 81092816; 85174437; 85209120; 85789259; 91011661; 92124749; 92307926; 92308458; 92713301; 93166505; 93621098 DR0881 DRUG__ID DR0881 DR0881 DRUGNAME Irinotecan hydrochloride DR0881 PUBCMCID 74990 DR0881 TTDRUGID D07HOB DR0881 DFORMULA C33H39ClN4O6 DR0881 INCHIKEY GURKHSYORGJETM-WAQYZQTGSA-N DR0881 DRUINCHI 1S/C33H38N4O6.ClH/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2;/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3;1H/t33-;/m0./s1 DR0881 CASMILES CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7.Cl DR0881 CAS__NUM CAS 100286-90-6 DR0881 CHEBINUM 5971 DR0882 DRUG__ID DR0882 DR0882 DRUGNAME Ferrum metallicum DR0882 PUBCMCID 23925 DR0882 TTDRUGID D0Y3TM DR0882 DFORMULA Fe DR0882 INCHIKEY XEEYBQQBJWHFJM-UHFFFAOYSA-N DR0882 DRUINCHI 1S/Fe DR0882 CASMILES [Fe] DR0882 CAS__NUM CAS 7439-89-6 DR0882 CHEBINUM 18248 DR0882 PUBCMSID 3325; 819438; 820025; 821084; 821168; 821537; 823515; 823520; 824061; 824068; 824479; 824743; 825486; 826250; 826441; 827481; 827792; 829797; 829801; 829982; 831741; 832153; 832644; 834416; 835008; 835113; 835453; 835455; 837736; 838309; 838843; 839154; 839155; 839156; 839157; 839159; 841285; 5953609; 6128693; 6435816;6435818; 6435820; 6436068; 6436069; 6436071; 7433524; 8005336; 8005353; 8005513; 8005595 DR0883 DRUG__ID DR0883 DR0883 DRUGNAME Isavuconazole DR0883 PUBCMCID 6918485 DR0883 TTDRUGID D07VHS DR0883 DFORMULA C22H17F2N5OS DR0883 INCHIKEY DDFOUSQFMYRUQK-RCDICMHDSA-N DR0883 DRUINCHI 1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1 DR0883 CASMILES CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(CN3C=NC=N3)(C4=C(C=CC(=C4)F)F)O DR0883 CAS__NUM CAS 241479-67-4 DR0883 CHEBINUM 85979 DR0883 PUBCMSID 12015361; 14856922; 17194920; 24722773; 43529855; 57371952; 78488413; 103570494; 114788046; 126680912; 135261044; 137006498; 142496862; 164227664; 164761259; 172918182; 198957657; 223665458; 225093825; 227200670; 247264052; 252150286; 252215608; 252479215 DR0884 DRUG__ID DR0884 DR0884 DRUGNAME Isavuconazonium DR0884 PUBCMCID 6918606 DR0884 DFORMULA C35H35F2N8O5S+ DR0884 INCHIKEY RSWOJTICKMKTER-QXLBVTBOSA-N DR0884 DRUINCHI 1S/C35H35F2N8O5S/c1-22(33-42-30(18-51-33)25-9-7-24(15-38)8-10-25)35(48,28-14-27(36)11-12-29(28)37)19-45-21-44(20-41-45)23(2)50-34(47)43(4)32-26(6-5-13-40-32)17-49-31(46)16-39-3/h5-14,18,20-23,39,48H,16-17,19H2,1-4H3/q+1/t22-,23?,35+/m0/s1 DR0884 CASMILES CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(CN3C=[N+](C=N3)C(C)OC(=O)N(C)C4=C(C=CC=N4)COC(=O)CNC)(C5=C(C=CC(=C5)F)F)O DR0884 CAS__NUM CAS 742049-41-8 DR0884 CHEBINUM 85978 DR0885 DRUG__ID DR0885 DR0885 DRUGNAME Isoflurane DR0885 PUBCMCID 3763 DR0885 TTDRUGID D0DP6L DR0885 DFORMULA C3H2ClF5O DR0885 INCHIKEY PIWKPBJCKXDKJR-UHFFFAOYSA-N DR0885 DRUINCHI 1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H DR0885 CASMILES C(C(F)(F)F)(OC(F)F)Cl DR0885 CAS__NUM CAS 26675-46-7 DR0885 CHEBINUM 6015 DR0885 PUBCMSID 9721; 3159889; 3723212; 4697021; 7847611; 7979654; 8152381; 10516331; 15195236; 29222882; 46505880; 48413913; 49836645; 49857441; 50125772; 53790766; 53801075; 56310699; 56310955; 56311499; 56311786; 56311841; 56311862; 56313386; 56313446; 56313448; 56313544; 56313545; 57321983; 80689362; 85175968; 92714281; 97857709; 103385005; 104304448; 117648535; 118838432; 124893641; 125307939; 125346539; 126629601; 127261761; 127261762; 127261763; 127261764; 127261765; 127261766; 128922443; 131308078; 131465775 DR0886 DRUG__ID DR0886 DR0886 DRUGNAME Isoniazid DR0886 PUBCMCID 3767 DR0886 TTDRUGID D09XQF DR0886 DFORMULA C6H7N3O DR0886 INCHIKEY QRXWMOHMRWLFEY-UHFFFAOYSA-N DR0886 DRUINCHI 1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10) DR0886 CASMILES C1=CN=CC=C1C(=O)NN DR0886 CAS__NUM CAS 54-85-3 DR0886 CHEBINUM 6030 DR0886 PUBCMSID 9266; 75070; 602898; 855769; 3133579; 7647563; 7847412; 7979658; 8145964; 8149391; 8152384; 10321551; 10526641; 11112128; 11335245; 11360484; 11363747; 11366309; 11368871; 11371524; 11373562; 11377033; 11461456; 11466189; 11467309; 11483830; 11485678; 11487923; 11490288; 11491837; 11494667; 12016103; 15321438; 17389848; 22389388; 22400349; 24429259; 24896031; 26611787; 26679247; 26746988; 26746989; 26751504; 29222886; 33726819; 38671754; 38671759; 38671761; 46506039; 47216622 DR0887 DRUG__ID DR0887 DR0887 DRUGNAME ICI-46399 DR0887 PUBCMCID 3779 DR0887 TTDRUGID D0I8FI DR0887 DFORMULA C11H17NO3 DR0887 INCHIKEY JWZZKOKVBUJMES-UHFFFAOYSA-N DR0887 DRUINCHI 1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3 DR0887 CASMILES CC(C)NCC(C1=CC(=C(C=C1)O)O)O DR0887 CAS__NUM CAS 7683-59-2 DR0887 CHEBINUM 6046 DR0887 PUBCMSID 9268; 75322; 91788; 611308; 3133594; 5272313; 8152391; 10535368; 11336069; 11361308; 11363843; 11366405; 11368967; 11371528; 11373566; 11377129; 11462280; 11467125; 11468245; 11484778; 11486793; 11488877; 11490290; 11491839; 11494763; 11534308; 14748912; 24430805; 24715029; 26512260; 26752240; 29222898; 46507323; 47216837; 47291195; 47365254; 47440329; 47515375; 47810812; 47959817; 48334566; 48416134; 49892804; 49892806; 49892807; 50104946; 50111114; 53790889; 56313305; 56313643 DR0888 DRUG__ID DR0888 DR0888 DRUGNAME Isosorbide dinitrate DR0888 PUBCMCID 6883 DR0888 TTDRUGID D0I1SK DR0888 DFORMULA C6H8N2O8 DR0888 INCHIKEY MOYKHGMNXAOIAT-JGWLITMVSA-N DR0888 DRUINCHI 1S/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6-/m1/s1 DR0888 CASMILES C1C(C2C(O1)C(CO2)O[N+](=O)[O-])O[N+](=O)[O-] DR0888 CAS__NUM CAS 87-33-2 DR0888 CHEBINUM 6061 DR0888 PUBCMSID 9659; 119630; 221635; 7847582; 7979661; 8149394; 8154490; 10321182; 11335611; 11360850; 11363057;11365619; 11368181; 11371680; 11373568; 11376343; 11461822; 11466742; 11467862; 11484794; 11486584; 11488885; 11490416; 11491840; 11493977; 14749455; 14847315; 24881741; 26611790; 26679697; 29225819;46506412; 47365129; 47365130; 48110402; 48259172; 48259173; 48259174; 48334428; 49699148; 49972418; 50123513; 50123514; 53790326; 53801192; 57260297; 57260298; 57323779; 57651697; 60723111 DR0889 DRUG__ID DR0889 DR0889 DRUGNAME Isosorbide mononitrate DR0889 PUBCMCID 27661 DR0889 TTDRUGID D0YS7D DR0889 DFORMULA C6H9NO6 DR0889 INCHIKEY YWXYYJSYQOXTPL-SLPGGIOYSA-N DR0889 DRUINCHI 1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5+,6+/m0/s1 DR0889 CASMILES C1C(C2C(O1)C(CO2)O[N+](=O)[O-])O DR0889 CAS__NUM CAS 16051-77-7 DR0889 CHEBINUM 6062 DR0889 PUBCMSID 9916; 1996243; 3140015; 7847696; 7979662; 8169915; 14748507; 15171521; 34670166; 46506594; 48416135; 49972423; 50113025; 53801154; 57310486; 78898435; 87325445; 87571756; 92308037; 103408641; 104231660; 104300601; 109658188; 115354129; 117383795; 125311718; 126603354; 126608841; 126616754; 126665019; 129859949; 134338317; 134992567; 136903837; 137003475; 142599818; 143449442; 144075642; 144205134; 152165118; 152250184; 160808664; 160964356; 163087759; 163589576; 164811402; 175266479; 175610990; 176266501; 177748777 DR0890 DRUG__ID DR0890 DR0890 DRUGNAME Isotretinoin DR0890 PUBCMCID 5282379 DR0890 TTDRUGID D00DKK DR0890 DFORMULA C20H28O2 DR0890 INCHIKEY SHGAZHPCJJPHSC-XFYACQKRSA-N DR0890 DRUINCHI 1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14- DR0890 CASMILES CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C DR0890 CAS__NUM CAS 4759-48-2 DR0890 CHEBINUM 6067 DR0890 PUBCMSID 9270; 821174; 3719647; 7847414; 7979663; 8617030; 10321605; 12013352; 14751738; 17405637; 24278676; 24702084; 26612253; 26747659; 26747660; 26747661; 26753641; 26753642; 26753643; 26753644; 39315833; 46508729; 47193696; 47217015; 47217016; 47440502; 47515558; 47515559; 47515560; 47589204; 47736730; 47885626; 48035372; 48416136; 49698407; 50044403; 50106981; 50106982; 53778187; 53788737; 56312436; 56312437; 56312464; 56313471; 56313644; 56352887; 57288466; 57288699; 57358641; 75174296 DR0891 DRUG__ID DR0891 DR0891 DRUGNAME Isradipine DR0891 PUBCMCID 3784 DR0891 TTDRUGID D0HC8Q DR0891 DFORMULA C19H21N3O5 DR0891 INCHIKEY HMJIYCCIJYRONP-UHFFFAOYSA-N DR0891 DRUINCHI 1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,20H,1-5H3 DR0891 CASMILES CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC3=NON=C32)C(=O)OC DR0891 CAS__NUM CAS 75695-93-1 DR0891 CHEBINUM 6073 DR0892 DRUG__ID DR0892 DR0892 DRUGNAME Istradefylline DR0892 PUBCMCID 5311037 DR0892 TTDRUGID D0F4ZY DR0892 DFORMULA C20H24N4O4 DR0892 INCHIKEY IQVRBWUUXZMOPW-PKNBQFBNSA-N DR0892 DRUINCHI 1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+ DR0892 CASMILES CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)C=CC3=CC(=C(C=C3)OC)OC)C DR0892 CAS__NUM CAS 155270-99-8 DR0892 CHEBINUM 134726 DR0892 PUBCMSID 7978842; 11056223; 12014869; 14878146; 39340766; 47206484; 50027674; 50629398; 57359333; 85210094; 92729739; 103276933; 104061724; 114155109; 126671671; 134338968; 134339069; 134343014; 135175557; 135697573; 137005694; 140175846; 144116113; 152105687; 152159601; 152258274; 152343827; 160647112; 162011669; 162222240; 163408039; 163914047; 164777218; 170466116; 172093763; 172912718; 174527720; 175437836; 178102242; 179150002; 185975314; 198959942; 206245955; 208265417; 223378751; 223435458; 223496120; 223554827; 223660299; 223704923 DR0893 DRUG__ID DR0893 DR0893 DRUGNAME Itopride DR0893 PUBCMCID 3792 DR0893 DFORMULA C20H26N2O4 DR0893 INCHIKEY QQQIECGTIMUVDS-UHFFFAOYSA-N DR0893 DRUINCHI 1S/C20H26N2O4/c1-22(2)11-12-26-17-8-5-15(6-9-17)14-21-20(23)16-7-10-18(24-3)19(13-16)25-4/h5-10,13H,11-12,14H2,1-4H3,(H,21,23) DR0893 CASMILES CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)OC)OC DR0893 CAS__NUM CAS 122898-67-3 DR0893 CHEBINUM 94809 DR0894 DRUG__ID DR0894 DR0894 DRUGNAME HSR-803 DR0894 PUBCMCID 129791 DR0894 DFORMULA C20H27ClN2O4 DR0894 INCHIKEY ZTOUXLLIPWWHSR-UHFFFAOYSA-N DR0894 DRUINCHI 1S/C20H26N2O4.ClH/c1-22(2)11-12-26-17-8-5-15(6-9-17)14-21-20(23)16-7-10-18(24-3)19(13-16)25-4;/h5-10,13H,11-12,14H2,1-4H3,(H,21,23);1H DR0894 CASMILES CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)OC)OC.Cl DR0894 CAS__NUM CAS 122892-31-3 DR0895 DRUG__ID DR0895 DR0895 DRUGNAME Itraconazole DR0895 PUBCMCID 6917738 DR0895 TTDRUGID D0V4IB DR0895 DFORMULA C35H38Cl2N8O4 DR0895 INCHIKEY VHVPQPYKVGDNFY-AVQIMAJZSA-N DR0895 DRUINCHI 1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m1/s1 DR0895 CASMILES CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl DR0895 CAS__NUM CAS 84625-61-6 DR0895 CHEBINUM 6076 DR0895 PUBCMSID 12012955; 14839906; 23950781; 43529166; 57371668; 80687815; 114786875; 129477277; 138818153; 143350865; 226641989 DR0897 DRUG__ID DR0897 DR0897 DRUGNAME Ivabradine hydrochloride DR0897 PUBCMCID 3045381 DR0897 TTDRUGID D0S9QA DR0897 DFORMULA C27H37ClN2O5 DR0897 INCHIKEY HLUKNZUABFFNQS-ZMBIFBSDSA-N DR0897 DRUINCHI 1S/C27H36N2O5.ClH/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30;/h12-14,16,21H,6-11,15,17H2,1-5H3;1H/t21-;/m1./s1 DR0897 CASMILES CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)CC3CC4=CC(=C(C=C34)OC)OC.Cl DR0897 CAS__NUM CAS 148849-67-6 DR0897 CHEBINUM 85969 DR0898 DRUG__ID DR0898 DR0898 DRUGNAME Ivacaftor DR0898 PUBCMCID 16220172 DR0898 TTDRUGID D0W7WC DR0898 DFORMULA C24H28N2O3 DR0898 INCHIKEY PURKAOJPTOLRMP-UHFFFAOYSA-N DR0898 DRUINCHI 1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29) DR0898 CASMILES CC(C)(C)C1=CC(=C(C=C1NC(=O)C2=CNC3=CC=CC=C3C2=O)O)C(C)(C)C DR0898 CAS__NUM CAS 873054-44-5 DR0898 CHEBINUM 66901 DR0898 PUBCMSID 24902571; 28764112; 40723266; 104253162; 118855344; 123051083; 124757031; 124950685; 125163835; 125299328; 125434146; 126661313; 126731535; 131480767; 134964550; 135264255; 135626653; 135653729; 135692075; 135727452; 136367331; 136367911; 136926964; 137031731; 137626819; 137626820; 144116089; 152134181; 152258419; 160645564; 160647255; 160874442; 162011579; 162037465; 162202744; 163894050; 164042021; 172919866; 175266660; 175427103; 178101159; 184819711; 187072829; 198993065; 223381530; 223471420; 223683825; 223705162; 224174132; 226685555 DR0899 DRUG__ID DR0899 DR0899 DRUGNAME Ivermectin DR0899 PUBCMCID 6321424 DR0899 TTDRUGID D09YHJ DR0899 DFORMULA C48H74O14 DR0899 INCHIKEY AZSNMRSAGSSBNP-XPNPUAGNSA-N DR0899 DRUINCHI 1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1 DR0899 CASMILES CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C DR0899 CAS__NUM CAS 71827-03-7 DR0899 CHEBINUM 63941 DR0900 DRUG__ID DR0900 DR0900 DRUGNAME Ixabepilone DR0900 PUBCMCID 6445540 DR0900 TTDRUGID D0W2EK DR0900 DFORMULA C27H42N2O5S DR0900 INCHIKEY FABUFPQFXZVHFB-PVYNADRNSA-N DR0900 DRUINCHI 1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1 DR0900 CASMILES CC1CCCC2(C(O2)CC(NC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C)C DR0900 CAS__NUM CAS 219989-84-1 DR0900 CHEBINUM 63605 DR0900 PUBCMSID 11969810; 14786763; 14933557; 34184371; 47206488; 49684213; 49999545; 57369862; 76567192; 91148449; 103771488; 114573104; 126623101; 126665598; 127325936; 127325937; 127325938; 127325939; 134223036; 135135146; 135610851; 137240334; 137248706; 140173305; 152258135; 160646974; 162202446; 175267394; 176484667; 178103430; 179150167; 184022005; 184529017; 184812276; 221678841; 223664545; 226399596; 228058699; 241053227; 248880927; 251910828; 252448545 DR0901 DRUG__ID DR0901 DR0901 DRUGNAME Ixazomib DR0901 PUBCMCID 25183872 DR0901 TTDRUGID D01MML DR0901 DFORMULA C14H19BCl2N2O4 DR0901 INCHIKEY MXAYKZJJDUDWDS-LBPRGKRZSA-N DR0901 DRUINCHI 1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1 DR0901 CASMILES B(C(CC(C)C)NC(=O)CNC(=O)C1=C(C=CC(=C1)Cl)Cl)(O)O DR0901 CAS__NUM CAS 1072833-77-2 DR0901 CHEBINUM 90942 DR0901 PUBCMSID 57291607; 85029113; 104253504; 124757626; 124955652; 125164430; 135268985; 135626848; 136340279; 136348738; 136367593; 138100925; 144116241; 152134539; 162011779; 162037798; 162202726; 162773434; 163326535; 163347633; 163908014; 164193936; 164834143; 174007116; 174526063; 177748936; 184814067; 198939582; 203355961; 210274689; 210280323; 223389604; 229732516; 248181513; 249810660; 252110098; 252166660; 252213184; 252443130 DR0902 DRUG__ID DR0902 DR0902 DRUGNAME Kappadione DR0902 PUBCMCID 8555 DR0902 TTDRUGID D09KGQ DR0902 DFORMULA C11H8Na4O8P2 DR0902 INCHIKEY GZBACHSOZNEZOG-UHFFFAOYSA-J DR0902 DRUINCHI 1S/C11H12O8P2.4Na.H2O/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17;;;;;/h2-6H,1H3,(H2,12,13,14)(H2,15,16,17);;;;;1H2/q;4*+1;/p-4 DR0902 CASMILES CC1=C(C2=CC=CC=C2C(=C1)OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+] DR0902 CAS__NUM CAS 131-13-5 DR0903 DRUG__ID DR0903 DR0903 DRUGNAME Ketamine DR0903 PUBCMCID 3821 DR0903 TTDRUGID D0UM7O DR0903 DFORMULA C13H16ClNO DR0903 INCHIKEY YQEZLKZALYSWHR-UHFFFAOYSA-N DR0903 DRUINCHI 1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3 DR0903 CASMILES CNC1(CCCCC1=O)C2=CC=CC=C2Cl DR0903 CAS__NUM CAS 6740-88-1 DR0903 CHEBINUM 6121 DR0903 PUBCMSID 9728; 113688; 841263; 5316929; 7979678; 8152419; 10502126; 11335392; 11360631; 11461603; 15220836; 29215438; 29215439; 29222940;46508295; 48034987; 48416146; 49958360; 53789372; 56424156; 57322007; 77699966; 96024788; 99233266; 103199488; 103975488; 104222089; 104304622; 105600453; 117480213; 118232324; 124813339; 125683401; 129832339; 134338393; 134987353; 137010368; 142340961; 144205256; 144205257; 160964554; 178101050; 179148642; 216074935; 223837115; 226406322; 250059345 DR0904 DRUG__ID DR0904 DR0904 DRUGNAME Ketazolam DR0904 PUBCMCID 33746 DR0904 DFORMULA C20H17ClN2O3 DR0904 INCHIKEY PWAJCNITSBZRBL-UHFFFAOYSA-N DR0904 DRUINCHI 1S/C20H17ClN2O3/c1-13-10-18(24)23-12-19(25)22(2)17-9-8-15(21)11-16(17)20(23,26-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3 DR0904 CASMILES CC1=CC(=O)N2CC(=O)N(C3=C(C2(O1)C4=CC=CC=C4)C=C(C=C3)Cl)C DR0904 CAS__NUM CAS 27223-35-4 DR0904 CHEBINUM 135556 DR0905 DRUG__ID DR0905 DR0905 DRUGNAME Ketobemidone DR0905 PUBCMCID 80069 DR0905 TTDRUGID D04BCW DR0905 DFORMULA C15H22ClNO2 DR0905 INCHIKEY HYDFAZFVKRXNJX-UHFFFAOYSA-N DR0905 DRUINCHI 1S/C15H21NO2.C2H2O4/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12;3-1(4)2(5)6/h4-6,11,17H,3,7-10H2,1-2H3;(H,3,4)(H,5,6) DR0905 CASMILES CCC(=O)C1(CCN(C)CC1)c2cccc(O)c2.OC(=O)C(=O)O DR0905 CAS__NUM CAS 5965-49-1 DR0906 DRUG__ID DR0906 DR0906 DRUGNAME Ketoconazole DR0906 PUBCMCID 3823 DR0906 TTDRUGID D0B4IF DR0906 DFORMULA C26H28Cl2N4O4 DR0906 INCHIKEY XMAYWYJOQHXEEK-UHFFFAOYSA-N DR0906 DRUINCHI 1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3 DR0906 CASMILES CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl DR0906 CAS__NUM CAS 65277-42-1 DR0906 CHEBINUM 47519 DR0906 PUBCMSID 456469; 5316931; 8152421; 11407121; 29222942; 46506746; 46530753; 47261387; 51021382; 57322009; 85087144; 85174349; 85787593; 93620728; 103845251; 104014719; 104304628; 117361105; 117571495; 118836543; 125355519; 125357821; 125433866; 125544749; 126685446; 126728346; 127316656; 127316657; 127316658; 127316659; 127316660; 129708236; 135650454; 137100792; 142426911; 143837446; 152057681; 162022954; 162092001; 162914824; 163315720; 164811453; 164830408; 172824381; 179116748; 223677862; 223726587; 226399613; 252825836 DR0907 DRUG__ID DR0907 DR0907 DRUGNAME Ketoprofen DR0907 PUBCMCID 3825 DR0907 TTDRUGID D0W9WF DR0907 DFORMULA C16H14O3 DR0907 INCHIKEY DKYWVDODHFEZIM-UHFFFAOYSA-N DR0907 DRUINCHI 1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) DR0907 CASMILES CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O DR0907 CAS__NUM CAS 22071-15-4 DR0907 CHEBINUM 6128 DR0907 PUBCMSID 4853; 857801; 5316933; 7847200; 7979680; 8149782; 8152423; 10321584; 10513923; 11335773; 11361012; 11364203; 11366765; 11369327; 11372636; 11373574; 11377489; 11461984; 11466247; 11467367; 11484688; 11485894; 11488772; 11491294; 11491843; 11495123; 11532908; 11533518; 15122326; 17405247; 24278504; 24860779; 24896217; 26612243; 26679814; 26747548; 26747549; 29222944; 46505715; 47216761; 47365167; 47588981; 47588982; 47588983; 47662267; 47736456; 47810738; 48184977; 48413934; 49698784 DR0908 DRUG__ID DR0908 DR0908 DRUGNAME Ketorolac DR0908 PUBCMCID 3826 DR0908 TTDRUGID D0D9JW DR0908 DFORMULA C15H13NO3 DR0908 INCHIKEY OZWKMVRBQXNZKK-UHFFFAOYSA-N DR0908 DRUINCHI 1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19) DR0908 CASMILES C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O DR0908 CAS__NUM CAS 66635-83-4 DR0908 CHEBINUM 76223 DR0908 PUBCMSID 9274; 5316934; 7979681; 8152424; 12013083; 14774471; 29222945; 46507019; 48416148; 49698948; 50040043; 50559242; 53787558; 56313647; 57322012; 85787389; 87245106; 90341692; 92719330; 96024794; 99281833; 103168363; 103922837; 104304637; 118314823; 124749910; 124896716; 125357028; 126449597; 126449602; 126621065; 126628266; 126648434; 126657726; 126670368; 126670856; 128885449; 131939830; 134337908; 135011243; 135039632; 136351611; 137035346; 142342166; 160654547; 160963811; 162178870; 162631206; 163414850; 164827307 DR0909 DRUG__ID DR0909 DR0909 DRUGNAME Labetalol DR0909 PUBCMCID 3869 DR0909 TTDRUGID D0A8XN DR0909 DFORMULA C19H24N2O3 DR0909 INCHIKEY SGUAFYQXFOLMHL-UHFFFAOYSA-N DR0909 DRUINCHI 1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24) DR0909 CASMILES CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O DR0909 CAS__NUM CAS 36894-69-6 DR0909 CHEBINUM 6343 DR0909 PUBCMSID 9275; 5142009; 7979714; 8152441; 11335649; 11360888; 11364501; 11367063; 11369625; 11372741; 11373866; 11377787; 11461860; 11466305; 11467425; 11484641; 11486109; 11488679; 11491396; 11491999; 11495421; 14777379; 29222985; 46505511; 47216734; 47736423; 47885363; 48184950; 48259181; 48259182; 48259183; 48259184; 48416150; 49698939; 49832659; 49876891; 50105268; 53790399; 56413046; 56464163; 57322029; 77168696; 85209992; 85788805; 90341718; 92716935; 96024796; 103165317; 104304757; 118314781 DR0910 DRUG__ID DR0910 DR0910 DRUGNAME Lacidipine DR0910 PUBCMCID 5311217 DR0910 DFORMULA C26H33NO6 DR0910 INCHIKEY GKQPCPXONLDCMU-CCEZHUSRSA-N DR0910 DRUINCHI 1S/C26H33NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-13-11-10-12-18(19)14-15-20(28)33-26(5,6)7/h10-15,23,27H,8-9H2,1-7H3/b15-14+ DR0910 CASMILES CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C=CC(=O)OC(C)(C)C)C(=O)OCC)C)C DR0910 CAS__NUM CAS 103890-78-4 DR0910 CHEBINUM 94480 DR0911 DRUG__ID DR0911 DR0911 DRUGNAME Lacosamide DR0911 PUBCMCID 219078 DR0911 TTDRUGID D05OFX DR0911 DFORMULA C13H18N2O3 DR0911 INCHIKEY VPPJLAIAVCUEMN-GFCCVEGCSA-N DR0911 DRUINCHI 1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1 DR0911 CASMILES CC(=O)NC(COC)C(=O)NCC1=CC=CC=C1 DR0911 CAS__NUM CAS 175481-36-4 DR0911 CHEBINUM 135939 DR0911 PUBCMSID 9374274; 12015335; 14847708; 15196715; 30422445; 50069298; 51091636; 53505872; 57399840; 58107206; 99218530; 99298399; 99437053; 103245465; 104154565; 109693474; 113468551; 123121578; 124757118; 125163922; 126575044; 126624062; 126644682; 126667072; 126733504; 129508865; 134339319; 135141960; 135367753; 135697647; 135707761; 136895303; 136991060; 137237313; 137237672; 139113413; 152258417; 160647253; 160660621; 160826045; 162037520; 162188094; 163092695; 163589394; 164824528; 170466190; 172086321; 174006177; 174527897; 175266112 DR0912 DRUG__ID DR0912 DR0912 DRUGNAME Lamivudine DR0912 PUBCMCID 60825 DR0912 TTDRUGID D07TQV DR0912 DFORMULA C8H11N3O3S DR0912 INCHIKEY JTEGQNOMFQHVDC-NKWVEPMBSA-N DR0912 DRUINCHI 1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1 DR0912 CASMILES C1C(OC(S1)CO)N2C=CC(=NC2=O)N DR0912 CAS__NUM CAS 134678-17-4 DR0912 CHEBINUM 63577 DR0912 PUBCMSID 9277; 596236; 601313; 643736; 811475; 3727051; 3727058; 7847419; 7979719; 8187080; 11528367; 12014700; 12016245; 14798125; 15121620; 24277302; 26719826; 29215254; 43118163; 46386600; 46507855; 49681736; 50140269; 57314135; 81093205; 85279382; 87560180; 92308311; 92712464; 92729822; 93166191; 103195019; 103977094; 104170203; 104253324; 104321740; 117588081; 118048664; 121362453; 124658974; 124757443; 124892101; 125164247; 126584422; 126592947; 126625491; 126656696; 126665392; 127310181; 127310182 DR0913 DRUG__ID DR0913 DR0913 DRUGNAME Lamotrigine DR0913 PUBCMCID 3878 DR0913 TTDRUGID D03FLC DR0913 DFORMULA C9H7Cl2N5 DR0913 INCHIKEY PYZRQGJRPPTADH-UHFFFAOYSA-N DR0913 DRUINCHI 1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16) DR0913 CASMILES C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N DR0913 CAS__NUM CAS 84057-84-1 DR0913 CHEBINUM 6367 DR0913 PUBCMSID 855818; 5669156; 7847420; 7979720; 8152444; 11111377; 11113342; 11528749; 12013463; 14823602; 17405249; 24278792; 26719658; 29222992; 46386680; 46505408; 47810853; 48259345; 48416154; 50100261; 50104089; 50104090; 53777794; 53787568; 56423136; 57322032; 58107296; 76843584; 81092819; 85231112; 90341162; 91148150; 92304062; 92308151; 92308280; 92308924; 92709766; 93166952; 103199382; 103940000; 104179107; 104304778; 111978157; 117872151; 121361621; 124658861; 124799528; 124880544; 124880545; 124880546 DR0914 DRUG__ID DR0914 DR0914 DRUGNAME ONO-1101 DR0914 PUBCMCID 114905 DR0914 DFORMULA C25H39N3O8 DR0914 INCHIKEY WMDSZGFJQKSLLH-RBBKRZOGSA-N DR0914 DRUINCHI 1S/C25H39N3O8/c1-25(2)35-18-22(36-25)17-34-23(30)8-5-19-3-6-21(7-4-19)33-16-20(29)15-26-9-10-27-24(31)28-11-13-32-14-12-28/h3-4,6-7,20,22,26,29H,5,8-18H2,1-2H3,(H,27,31)/t20-,22+/m0/s1 DR0914 CASMILES CC1(OCC(O1)COC(=O)CCC2=CC=C(C=C2)OCC(CNCCNC(=O)N3CCOCC3)O)C DR0914 CAS__NUM CAS 133242-30-5 DR0914 CHEBINUM 135809 DR0915 DRUG__ID DR0915 DR0915 DRUGNAME Lansoprazole DR0915 PUBCMCID 3883 DR0915 DFORMULA C16H14F3N3O2S DR0915 INCHIKEY MJIHNNLFOKEZEW-UHFFFAOYSA-N DR0915 DRUINCHI 1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22) DR0915 CASMILES CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F DR0915 CAS__NUM CAS 103577-45-3 DR0915 CHEBINUM 6375 DR0917 DRUG__ID DR0917 DR0917 DRUGNAME Lapatinib ditosylate DR0917 PUBCMCID 9941095 DR0917 TTDRUGID D08CDI DR0917 DFORMULA C43H42ClFN4O10S3 DR0917 INCHIKEY UWYXLGUQQFPJRI-UHFFFAOYSA-N DR0917 DRUINCHI 1S/C29H26ClFN4O4S.2C7H8O3S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19;2*1-6-2-4-7(5-3-6)11(8,9)10/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35);2*2-5H,1H3,(H,8,9,10) DR0917 CASMILES CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl DR0917 CAS__NUM CAS 388082-77-7 DR0918 DRUG__ID DR0918 DR0918 DRUGNAME TV-5600 DR0918 PUBCMCID 54677946 DR0918 TTDRUGID D0JN5N DR0918 DFORMULA C19H17ClN2O3 DR0918 INCHIKEY GKWPCEFFIHSJOE-UHFFFAOYSA-N DR0918 DRUINCHI 1S/C19H17ClN2O3/c1-3-22(12-8-5-4-6-9-12)19(25)16-17(23)15-13(20)10-7-11-14(15)21(2)18(16)24/h4-11,23H,3H2,1-2H3 DR0918 CASMILES CCN(C1=CC=CC=C1)C(=O)C2=C(C3=C(C=CC=C3Cl)N(C2=O)C)O DR0918 CAS__NUM CAS 248281-84-7 DR0918 CHEBINUM 134738 DR0918 PUBCMSID 14876590; 30420153; 39226871; 53789660; 55415688; 57399789; 80696753; 93309883; 103144721; 103258758; 109693522; 113461713; 117465054; 125580534; 126659568; 126671487; 127968532; 135135025; 135684163; 136375556; 136920402; 136946440; 137003754; 137267594; 142657125; 144116129; 152159598; 152254807; 152258415; 152343588;160817546; 162011445; 162036243; 162192335; 163090687; 163686051; 164761535; 170503204; 172092778; 174007071; 174477470; 174528534; 179150222; 180672675; 185974774; 185974775; 185974776; 198987470; 204386312; 223365974 DR0919 DRUG__ID DR0919 DR0919 DRUGNAME Lefamulin DR0919 PUBCMCID 25185057 DR0919 TTDRUGID D0EB5N DR0919 DFORMULA C28H45NO5S DR0919 INCHIKEY KPVIXBKIJXZQJX-FCEONZPQSA-N DR0919 DRUINCHI 1S/C28H45NO5S/c1-6-26(4)14-22(34-23(32)15-35-21-8-7-18(29)13-20(21)31)27(5)16(2)9-11-28(17(3)25(26)33)12-10-19(30)24(27)28/h6,16-18,20-22,24-25,31,33H,1,7-15,29H2,2-5H3/t16-,17+,18-,20-,21-,22-,24+,25+,26-,27+,28+/m1/s1 DR0919 CASMILES CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC4CCC(CC4O)N)C DR0919 CAS__NUM CAS 1061337-51-6 DR0921 DRUG__ID DR0921 DR0921 DRUGNAME Leflunomide DR0921 PUBCMCID 3899 DR0921 TTDRUGID D08ROP DR0921 DFORMULA C12H9F3N2O2 DR0921 INCHIKEY VHOGYURTWQBHIL-UHFFFAOYSA-N DR0921 DRUINCHI 1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18) DR0921 CASMILES CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F DR0921 CAS__NUM CAS 75706-12-6 DR0921 CHEBINUM 6402 DR0921 PUBCMSID 10107; 517091; 604245; 855764; 866530; 6899003; 7847814; 7979735; 8150074; 8152456; 10321188; 11111382; 11111383; 11336091; 11361330; 11363216; 11365778; 11368340; 11376502; 11462302; 11466800; 11467920; 11486519; 11494136; 11528672; 11533365; 12013774; 15221872; 17405210; 24278516; 26612550; 26746985; 26746986; 26746987; 29223013; 46506013; 47589061; 47662351; 47736556; 47885478; 48110514; 48259307; 48259308; 48416160; 49698814; 49835013; 50100264; 50104054; 50104055; 50104056 DR0923 DRUG__ID DR0923 DR0923 DRUGNAME Lenvatinib mesylate DR0923 PUBCMCID 11237762 DR0923 TTDRUGID D03KSK DR0923 DFORMULA C22H23ClN4O7S DR0923 INCHIKEY HWLFIUUAYLEFCT-UHFFFAOYSA-N DR0923 DRUINCHI 1S/C21H19ClN4O4.CH4O3S/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11;1-5(2,3)4/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28);1H3,(H,2,3,4) DR0923 CASMILES COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl.CS(=O)(=O)O DR0923 CAS__NUM CAS 857890-39-2 DR0923 CHEBINUM 85995 DR0924 DRUG__ID DR0924 DR0924 DRUGNAME TJN-324 DR0924 PUBCMCID 65866 DR0924 TTDRUGID D0P6ZH DR0924 DFORMULA C36H41N3O6 DR0924 INCHIKEY ZDXUKAKRHYTAKV-UHFFFAOYSA-N DR0924 DRUINCHI 1S/C36H41N3O6/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-19,22,30,33,37H,20-21,23H2,1-6H3 DR0924 CASMILES CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC DR0924 CAS__NUM CAS 100427-26-7 DR0924 CHEBINUM 135930 DR0924 PUBCMSID 7979749; 8189996; 14789544; 43122606; 46508865; 50031840; 50112745; 50869364; 57315788; 81041038; 90340703; 92714226; 94569161; 96024801; 103555999; 104334871; 117381246; 117883634; 125336405; 126624317; 126655557; 126683225; 131292794; 131853865; 134222576; 134338497; 135023484; 137129218; 137349412; 160963873; 162180967; 164811647; 164814801; 166232226; 179149451; 184015929; 196111935; 206246033; 210279767; 210282090; 223484459; 223652700; 224044353; 226413385; 232529390; 251916783; 251918022; 252110275; 252359218; 252455991 DR0926 DRUG__ID DR0926 DR0926 DRUGNAME Lesinurad DR0926 PUBCMCID 53465279 DR0926 TTDRUGID D0C3SW DR0926 DFORMULA C17H14BrN3O2S DR0926 INCHIKEY FGQFOYHRJSUHMR-UHFFFAOYSA-N DR0926 DRUINCHI 1S/C17H14BrN3O2S/c18-16-19-20-17(24-9-15(22)23)21(16)14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h1-4,7-8,10H,5-6,9H2,(H,22,23) DR0926 CASMILES C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)O DR0926 CAS__NUM CAS 878672-00-5 DR0926 CHEBINUM 90929 DR0926 PUBCMSID 135267370; 135626658; 141682643; 160698094; 163620844; 163686172; 186022493; 198964591; 223366008; 224297829; 227115271; 243322229; 251963128; 252216185; 252440600; 252479355 DR0928 DRUG__ID DR0928 DR0928 DRUGNAME Letermovir DR0928 PUBCMCID 45138674 DR0928 TTDRUGID D0G8PA DR0928 DFORMULA C29H28F4N4O4 DR0928 INCHIKEY FWYSMLBETOMXAG-QHCPKHFHSA-N DR0928 DRUINCHI 1S/C29H28F4N4O4/c1-40-20-6-3-5-19(16-20)35-11-13-36(14-12-35)28-34-27-21(7-4-8-22(27)30)23(17-26(38)39)37(28)24-15-18(29(31,32)33)9-10-25(24)41-2/h3-10,15-16,23H,11-14,17H2,1-2H3,(H,38,39)/t23-/m0/s1 DR0928 CASMILES COC1=C(C=C(C=C1)C(F)(F)F)N2C(C3=C(C(=CC=C3)F)N=C2N4CCN(CC4)C5=CC(=CC=C5)OC)CC(=O)O DR0928 CAS__NUM CAS 917389-32-3 DR0928 PUBCMSID 92388531; 103045327; 120177785; 123055444; 123086332; 137837293; 163642903; 175268695; 210275200; 210280838; 224305963; 226710579; 243917611 DR0929 DRUG__ID DR0929 DR0929 DRUGNAME Letrozole DR0929 PUBCMCID 3902 DR0929 TTDRUGID D0C1WH DR0929 DFORMULA C17H11N5 DR0929 INCHIKEY HPJKCIUCZWXJDR-UHFFFAOYSA-N DR0929 DRUINCHI 1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H DR0929 CASMILES C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3 DR0929 CAS__NUM CAS 112809-51-5 DR0929 CHEBINUM 6413 DR0929 PUBCMSID 10363; 535027; 6899006; 7848027; 7978496; 8152457; 11112889; 11467053; 11468173; 11486806; 12014531; 14799856; 26719850; 29223016; 46386665; 46504610; 46513479; 47440364; 47736586; 47810851; 47959864; 48416161; 49681588; 49699256; 49830389; 49888730; 50100535; 53789196; 56311274; 56312145; 56313556; 56313557; 56313754; 56352886; 57322043; 71821268; 79643905; 81040865; 81092820; 85787542; 92126055; 92308318; 92308918; 92712289; 93166173; 93167148; 99355691; 99437044; 103513368; 103914616 DR0931 DRUG__ID DR0931 DR0931 DRUGNAME Levamlodipine DR0931 PUBCMCID 9822750 DR0931 TTDRUGID D0I2WV DR0931 DFORMULA C20H25ClN2O5 DR0931 INCHIKEY HTIQEAQVCYTUBX-KRWDZBQOSA-N DR0931 DRUINCHI 1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3/t17-/m0/s1 DR0931 CASMILES CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN DR0931 CAS__NUM CAS 103129-82-4 DR0931 CHEBINUM 53796 DR0932 DRUG__ID DR0932 DR0932 DRUGNAME Levobetaxolol DR0932 PUBCMCID 60657 DR0932 TTDRUGID D0A6CQ DR0932 DFORMULA C18H29NO3 DR0932 INCHIKEY NWIUTZDMDHAVTP-KRWDZBQOSA-N DR0932 DRUINCHI 1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/t17-/m0/s1 DR0932 CASMILES CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O DR0932 CAS__NUM CAS 116209-55-3 DR0932 CHEBINUM 59254 DR0932 PUBCMSID 8186984; 14752035; 14898713; 43118020; 50065394; 50655309; 56413040; 57314053; 92741948; 94569129; 104321311; 117556010; 117880015; 131271782; 131850800; 134338604; 134487783; 135107063; 135928399; 137249363; 138985391; 162179211; 175269493; 179151450; 198967634; 226412211; 249565715 DR0933 DRUG__ID DR0933 DR0933 DRUGNAME Levobunolol DR0933 PUBCMCID 39468 DR0933 TTDRUGID D00IUG DR0933 DFORMULA C17H25NO3 DR0933 INCHIKEY IXHBTMCLRNMKHZ-LBPRGKRZSA-N DR0933 DRUINCHI 1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/t12-/m0/s1 DR0933 CASMILES CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O DR0933 CAS__NUM CAS 47141-42-4 DR0933 CHEBINUM 6438 DR0933 PUBCMSID 10116; 7979771; 8147013; 8176045; 11112712; 11112713; 11466875; 11467995; 11486490; 14800093; 34705356; 46507518; 47216948; 47440435; 47810938; 47810939; 49698660; 50064797; 50100511; 57312300; 75377008; 85787332; 96024805; 104331810; 117598030; 123099352; 128233843; 134223509; 134337615; 135002286; 135650031; 137004994; 141191903; 160964543; 162172878; 163418962; 163851154; 164789572; 172860923; 175268158; 179150487; 184531333; 198967741; 223554927; 224987628; 226412538; 252351251 DR0934 DRUG__ID DR0934 DR0934 DRUGNAME Levobupivacaine DR0934 PUBCMCID 92253 DR0934 TTDRUGID D09QUQ DR0934 DFORMULA C18H28N2O DR0934 INCHIKEY LEBVLXFERQHONN-INIZCTEOSA-N DR0934 DRUINCHI 1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1 DR0934 CASMILES CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C DR0934 CAS__NUM CAS 27262-47-1 DR0934 CHEBINUM 6149 DR0934 PUBCMSID 10089; 10225294; 11112642; 14775644; 14800000; 29215441; 44423110; 46505295; 50010834; 50070564; 50071325; 57335205; 80394341; 93166629; 96024806; 104222110; 104406939; 123092444; 126592946; 126669543; 126669544; 128475942; 131308447; 134338472; 135048182; 136357477; 137248692; 160964338; 162174730; 163366975; 175271332; 178103786; 179150260; 185974045; 187072685; 198980870; 218903197; 223535869; 223666603; 223666604; 223850360; 226420984; 251916836; 251918075; 252451169 DR0936 DRUG__ID DR0936 DR0936 DRUGNAME Levocarnitine DR0936 PUBCMCID 10917 DR0936 TTDRUGID D0G8SQ DR0936 DFORMULA C7H15NO3 DR0936 INCHIKEY PHIQHXFUZVPYII-ZCFIWIBFSA-N DR0936 DRUINCHI 1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1 DR0936 CASMILES C[N+](C)(C)CC(CC(=O)[O-])O DR0936 CAS__NUM CAS 541-15-1 DR0936 CHEBINUM 16347 DR0936 PUBCMSID 2207; 3612; 841764; 7849237; 8145671; 8157930; 12125266; 15120307; 15171033; 24892238; 29279278; 46475651; 46505864; 48416167; 49747058; 49833446; 49867038; 53788226; 56312758; 56320717; 56320718; 57326565; 77300350; 85165027; 87565251; 91146345; 92308023; 93166761; 103332887; 103944816; 104324626; 115354359; 118307976; 124360711; 124757780; 124811873; 125164584; 126603600; 126608844; 131318133; 131549872; 134224069; 134338232; 134975930; 135692459; 136903840; 137003561; 141954380; 143433319; 143857297 DR0937 DRUG__ID DR0937 DR0937 DRUGNAME Levocetirizine DR0937 PUBCMCID 1549000 DR0937 TTDRUGID D0M8PW DR0937 DFORMULA C21H25ClN2O3 DR0937 INCHIKEY ZKLPARSLTMPFCP-OAQYLSRUSA-N DR0937 DRUINCHI 1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m1/s1 DR0937 CASMILES C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl DR0937 CAS__NUM CAS 130018-77-8 DR0937 CHEBINUM 94559 DR0937 PUBCMSID 11545046; 14927596; 26719822; 32248928; 46386593; 47583669; 47805464; 48179644; 48253864; 49681558;49861381; 50276924; 51091738; 57409063; 92308500; 92714143; 93166949; 93302554; 103771174; 110525158; 124659008; 124799922; 126629651; 126655634; 126670860; 131297234; 134338605; 135107372; 135650416; 136211813; 136351130; 137001886; 139283254; 143494987; 152235888; 162258150; 163423572; 164837925; 172080394; 172859038; 175267409; 175270481; 179149784; 184548289; 184654357; 196111560; 211534825; 223258882; 223582092; 223657396 DR0939 DRUG__ID DR0939 DR0939 DRUGNAME Levodopa DR0939 PUBCMCID 6047 DR0939 TTDRUGID D08HVR DR0939 DFORMULA C9H11NO4 DR0939 INCHIKEY WTDRDQBEARUVNC-LURJTMIESA-N DR0939 DRUINCHI 1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1 DR0939 CASMILES C1=CC(=C(C=C1CC(C(=O)O)N)O)O DR0939 CAS__NUM CAS 59-92-7 DR0939 CHEBINUM 15765 DR0939 PUBCMSID 3648; 222573; 555833; 3136680; 7847127; 7886892; 7979689; 8001566; 8143351; 8150164; 8153771; 10321285; 11111115; 11112155; 11335627; 11360866; 11363348; 11365910; 11368472; 11374316; 11376634; 11461838; 11466045; 11467165; 11484127; 11485710; 11488312; 11492354; 11494268; 11532916; 11537951; 15120911; 15219946; 17405017; 24277914; 24863554; 26613179; 26679497; 26719283; 26746620; 26753566; 29225059; 46508120; 47216726; 47291084; 47440197; 47440198; 47736420; 47810699; 47959681 DR0940 DRUG__ID DR0940 DR0940 DRUGNAME Levomefolic acid DR0940 PUBCMCID 135398561 DR0940 DFORMULA C20H25N7O6 DR0940 INCHIKEY ZNOVTXRBGFNYRX-STQMWFEESA-N DR0940 DRUINCHI 1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m0/s1 DR0940 CASMILES CN1C(CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O DR0940 CAS__NUM CAS 31690-09-2 DR0940 CHEBINUM 15641 DR0941 DRUG__ID DR0941 DR0941 DRUGNAME NCI-C50000 DR0941 PUBCMCID 16666 DR0941 DFORMULA C10H20O DR0941 INCHIKEY NOOLISFMXDJSKH-KXUCPTDWSA-N DR0941 DRUINCHI 1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1 DR0941 CASMILES CC1CCC(C(C1)O)C(C)C DR0941 CAS__NUM CAS 89-78-1 DR0941 CHEBINUM 15409 DR0942 DRUG__ID DR0942 DR0942 DRUGNAME Levomepromazine DR0942 PUBCMCID 72287 DR0942 TTDRUGID D09LZT DR0942 DFORMULA C19H24N2OS DR0942 INCHIKEY VRQVVMDWGGWHTJ-CQSZACIVSA-N DR0942 DRUINCHI 1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-/m1/s1 DR0942 CASMILES CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)OC)CN(C)C DR0942 CAS__NUM CAS 60-99-1 DR0942 CHEBINUM 6838 DR0944 DRUG__ID DR0944 DR0944 DRUGNAME Levomethadyl acetate hydrochloride DR0944 PUBCMCID 39371 DR0944 DFORMULA C23H32ClNO2 DR0944 INCHIKEY UXBPQRGCVJOTNT-COBSGTNCSA-N DR0944 DRUINCHI 1S/C23H31NO2.ClH/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21;/h7-16,18,22H,6,17H2,1-5H3;1H/t18-,22-;/m0./s1 DR0944 CASMILES CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C.Cl DR0944 CAS__NUM CAS 43033-72-3 DR0944 CHEBINUM 6442 DR0945 DRUG__ID DR0945 DR0945 DRUGNAME Levomilnacipran DR0945 PUBCMCID 6917779 DR0945 TTDRUGID D02XOK DR0945 DFORMULA C15H22N2O DR0945 INCHIKEY GJJFMKBJSRMPLA-DZGCQCFKSA-N DR0945 DRUINCHI 1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1 DR0945 CASMILES CCN(CC)C(=O)C1(CC1CN)C2=CC=CC=C2 DR0945 CAS__NUM CAS 96847-55-1 DR0945 CHEBINUM 136040 DR0945 PUBCMSID 16010452; 23950786; 43529203; 50872352; 103316413; 103940908; 114786948; 127962304; 135626792; 137129347; 139020085; 160658357; 175271225; 175427154; 178104007; 179149463; 198967714; 227628532; 250148599 DR0946 DRUG__ID DR0946 DR0946 DRUGNAME Levonorgestrel DR0946 PUBCMCID 13109 DR0946 TTDRUGID D0G6CT DR0946 DFORMULA C21H28O2 DR0946 INCHIKEY WWYNJERNGUHSAO-XUDSTZEESA-N DR0946 DRUINCHI 1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1 DR0946 CASMILES CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34 DR0946 CAS__NUM CAS 797-63-7 DR0946 CHEBINUM 6443 DR0948 DRUG__ID DR0948 DR0948 DRUGNAME Levothyroxine sodium DR0948 PUBCMCID 23666112 DR0948 TTDRUGID D06RGG DR0948 DFORMULA C15H10I4NNaO4 DR0948 INCHIKEY YDTFRJLNMPSCFM-YDALLXLXSA-M DR0948 DRUINCHI 1S/C15H11I4NO4.Na/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;/h1-2,4-5,12,21H,3,20H2,(H,22,23);/q;+1/p-1/t12-;/m0./s1 DR0948 CASMILES C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)[O-])N.[Na+] DR0948 CAS__NUM CAS 55-03-8 DR0948 CHEBINUM 6446 DR0949 DRUG__ID DR0949 DR0949 DRUGNAME Levoverbenone DR0949 PUBCMCID 92874 DR0949 DFORMULA C10H14O DR0949 INCHIKEY DCSCXTJOXBUFGB-JGVFFNPUSA-N DR0949 DRUINCHI 1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m0/s1 DR0949 CASMILES CC1=CC(=O)C2CC1C2(C)C DR0949 CAS__NUM CAS 1196-01-6 DR0949 CHEBINUM 78316 DR0950 DRUG__ID DR0950 DR0950 DRUGNAME L-glutamine DR0950 PUBCMCID 5961 DR0950 TTDRUGID D03BVK DR0950 DFORMULA C5H10N2O3 DR0950 INCHIKEY ZDXPYRJPNDTMRX-VKHMYHEASA-N DR0950 DRUINCHI 1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 DR0950 CASMILES C(CC(=O)N)C(C(=O)O)N DR0950 CAS__NUM CAS 56-85-9 DR0950 CHEBINUM 18050 DR0951 DRUG__ID DR0951 DR0951 DRUGNAME ML-3000 DR0951 PUBCMCID 133021 DR0951 TTDRUGID D0N1SU DR0951 DFORMULA C23H22ClNO2 DR0951 INCHIKEY UAWXGRJVZSAUSZ-UHFFFAOYSA-N DR0951 DRUINCHI 1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27) DR0951 CASMILES CC1(CC2=C(C(=C(N2C1)CC(=O)O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C DR0951 CAS__NUM CAS 156897-06-2 DR0951 PUBCMSID 6436380; 7888616; 10243273; 12014886; 14829304; 29311030; 50040041; 50700417; 53788587; 57344354; 103243188; 103945934; 104378798; 125333743; 126645607; 126648934; 129342134; 131300446; 134338958; 135088300; 135692433; 137116560; 137275875; 142116170; 144072480; 162172234; 162476140; 163884604; 164228207; 164761582; 175426859; 184826912; 196105884; 198972330; 204370171; 223392829; 223705238; 223909705; 226588726; 251882412; 252215695; 252450609 DR0953 DRUG__ID DR0953 DR0953 DRUGNAME Lidocaine DR0953 PUBCMCID 3676 DR0953 TTDRUGID D0X4RN DR0953 DFORMULA C14H22N2O DR0953 INCHIKEY NNJVILVZKWQKPM-UHFFFAOYSA-N DR0953 DRUINCHI 1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17) DR0953 CASMILES CCN(CC)CC(=O)NC1=C(C=CC=C1C)C DR0953 CAS__NUM CAS 137-58-6 DR0953 CHEBINUM 6456 DR0953 PUBCMSID 9284; 95410; 855682; 3134587; 5152743; 7847424; 7979776; 8152322; 10507335; 11110520; 11111384; 11111385; 11120259; 11120747; 11121235; 11121424; 11121904; 11335349; 11336498; 11360588; 11362493; 11364012; 11365055; 11366574; 11367617; 11369136; 11370257; 11370258; 11372323; 11373218; 11373738; 11375779; 11377298; 11380842; 11461560; 11466078; 11467198; 11485261; 11485836; 11489159; 11491207; 11491885; 11494932; 11511857; 15196283; 24896272; 24896480; 26719632; 26744219; 26751483 DR0957 DRUG__ID DR0957 DR0957 DRUGNAME Lidoflazine DR0957 PUBCMCID 3926 DR0957 TTDRUGID D0L7VL DR0957 DFORMULA C30H35F2N3O DR0957 INCHIKEY ZBIAKUMOEKILTF-UHFFFAOYSA-N DR0957 DRUINCHI 1S/C30H35F2N3O/c1-22-5-3-6-23(2)30(22)33-29(36)21-35-19-17-34(18-20-35)16-4-7-28(24-8-12-26(31)13-9-24)25-10-14-27(32)15-11-25/h3,5-6,8-15,28H,4,7,16-21H2,1-2H3,(H,33,36) DR0957 CASMILES CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F DR0957 CAS__NUM CAS 3416-26-0 DR0957 CHEBINUM 93095 DR0958 DRUG__ID DR0958 DR0958 DRUGNAME DUP-996 DR0958 PUBCMCID 3932 DR0958 TTDRUGID D08YHS DR0958 DFORMULA C26H21N3O DR0958 INCHIKEY YEJCDKJIEMIWRQ-UHFFFAOYSA-N DR0958 DRUINCHI 1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2 DR0958 CASMILES C1=CC=C(C=C1)N2C3=CC=CC=C3C(C2=O)(CC4=CC=NC=C4)CC5=CC=NC=C5 DR0958 CAS__NUM CAS 105431-72-9 DR0958 CHEBINUM 34823 DR0958 PUBCMSID 854025; 4659686; 7979778; 8152470; 11111362; 11114259; 12014138; 14927733; 17405293; 24263040; 24277846; 29223046; 46500471; 47206562; 48259468; 50070441; 50071084; 50104972; 50104973; 53777838; 57322057; 57654323; 77625157; 85177305; 85231103; 85788683; 90341523; 92304330; 103314113; 104304940; 121361490; 124749952; 124800387; 124880516; 124880517; 126407736; 126679061; 129783712; 135028219; 135650523; 137156939; 144203728; 162206962; 162224821; 163049819; 163564686; 170466342; 174006298; 178125900; 179149530 DR0959 DRUG__ID DR0959 DR0959 DRUGNAME Liothyronine DR0959 PUBCMCID 5920 DR0959 TTDRUGID D0S6JG DR0959 DFORMULA C15H12I3NO4 DR0959 INCHIKEY AUYYCJSJGJYCDS-LBPRGKRZSA-N DR0959 DRUINCHI 1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1 DR0959 CASMILES C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)O)N)I)I)O DR0959 CAS__NUM CAS 6893-02-3 DR0959 CHEBINUM 18258 DR0959 PUBCMSID 5481; 830311; 832593; 854428; 4253003; 7890655; 7980832; 8002138; 8145172; 8153668; 10321236; 11364339; 11364976; 11366901; 11367538; 11369463; 11370100; 11372994; 11373139; 11373810; 11375700; 11377625; 11378271; 11457873; 11466881; 11468001; 11485903; 11486522; 11489800; 11491702; 11492141; 11495259; 11532858; 14710501; 14710502; 14936961; 14964754; 24900088; 26737095; 26737097; 26753840; 29224945; 46393605; 46506352; 46518913; 47217059; 47291379; 47440547; 47440548; 47885656 DR0960 DRUG__ID DR0960 DR0960 DRUGNAME Liotrix DR0960 PUBCMCID 71371 DR0960 DFORMULA C30H21I7N2Na2O8 DR0960 INCHIKEY LKYWLLWWYBVUPP-XOCLESOZSA-L DR0960 DRUINCHI 1S/C15H11I4NO4.C15H12I3NO4.2Na/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22;;/h1-2,4-5,12,21H,3,20H2,(H,22,23);1-4,6,12,20H,5,19H2,(H,21,22);;/q;;2*+1/p-2/t2*12-;;/m00../s1 DR0960 CASMILES C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)[O-])N)I)I)O.C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)[O-])N.[Na+].[Na+] DR0960 CAS__NUM CAS 8065-29-0 DR0960 CHEBINUM 6485 DR0962 DRUG__ID DR0962 DR0962 DRUGNAME Liraglutide DR0962 PUBCMCID 16134956 DR0962 TTDRUGID D03GOI DR0962 DFORMULA C172H265N43O51 DR0962 INCHIKEY YSDQQAXHVYUZIW-QCIJIYAXSA-N DR0962 DRUINCHI 1S/C172H265N43O51/c1-18-20-21-22-23-24-25-26-27-28-29-30-37-53-129(224)195-116(170(265)266)59-64-128(223)180-68-41-40-50-111(153(248)199-115(62-67-135(232)233)154(249)204-120(73-100-44-33-31-34-45-100)159(254)214-140(93(11)19-2)167(262)192-97(15)146(241)201-122(76-103-79-183-108-49-39-38-48-106(103)108)157(252)203-118(72-90(5)6)158(253)212-138(91(7)8)165(260)200-110(52-43-70-182-172(177)178)149(244)184-81-130(225)193-109(51-42-69-181-171(175)176)148(243)187-84-137(236)237)196-144(239)95(13)189-143(238)94(12)191-152(247)114(58-63-127(174)222)194-131(226)82-185-151(246)113(61-66-134(230)231)198-155(250)117(71-89(3)4)202-156(251)119(75-102-54-56-105(221)57-55-102)205-162(257)124(85-216)208-164(259)126(87-218)209-166(261)139(92(9)10)213-161(256)123(78-136(234)235)206-163(258)125(86-217)210-169(264)142(99(17)220)215-160(255)121(74-101-46-35-32-36-47-101)207-168(263)141(98(16)219)211-132(227)83-186-150(245)112(60-65-133(228)229)197-145(240)96(14)190-147(242)107(173)77-104-80-179-88-188-104/h31-36,38-39,44-49,54-57,79-80,88-99,107,109-126,138-142,183,216-221H,18-30,37,40-43,50-53,58-78,81-87,173H2,1-17H3,(H2,174,222)(H,179,188)(H,180,223)(H,184,244)(H,185,246)(H,186,245)(H,187,243)(H,189,238)(H,190,242)(H,191,247)(H,192,262)(H,193,225)(H,194,226)(H,195,224)(H,196,239)(H,197,240)(H,198,250)(H,199,248)(H,200,260)(H,201,241)(H,202,251)(H,203,252)(H,204,249)(H,205,257)(H,206,258)(H,207,263)(H,208,259)(H,209,261)(H,210,264)(H,211,227)(H,212,253)(H,213,256)(H,214,254)(H,215,255)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,265,266)(H4,175,176,181)(H4,177,178,182)/t93-,94-,95-,96-,97-,98+,99+,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,138-,139-,140-,141-,142-/m0/s1 DR0962 CASMILES CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NCCCCC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)CC)C(=O)NC(C)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)O)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(=O)N)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CC6=CN=CN6)N)C(=O)O DR0962 CAS__NUM CAS 204656-20-2 DR0962 CHEBINUM 3892 DR0962 PUBCMSID 14769161; 28731428; 40668371; 121147399; 135207227; 135652269; 160646391 DR0963 DRUG__ID DR0963 DR0963 DRUGNAME Lisdexamfetamine DR0963 PUBCMCID 11597698 DR0963 TTDRUGID D00DEF DR0963 DFORMULA C15H25N3O DR0963 INCHIKEY VOBHXZCDAVEXEY-JSGCOSHPSA-N DR0963 DRUINCHI 1S/C15H25N3O/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19)/t12-,14-/m0/s1 DR0963 CASMILES CC(CC1=CC=CC=C1)NC(=O)C(CCCCN)N DR0963 CAS__NUM CAS 608137-32-2 DR0963 CHEBINUM 135925 DR0963 PUBCMSID 16843305; 23710324; 42764532; 46505358; 50070913; 78572726; 96024820; 126651840; 135195272; 136939966; 137001224; 137228331; 140917534; 160964587; 175265708; 178103788; 179150769; 224607397; 226522546; 244397481 DR0964 DRUG__ID DR0964 DR0964 DRUGNAME CT-1501R DR0964 PUBCMCID 501254 DR0964 TTDRUGID D03WRJ DR0964 DFORMULA C13H20N4O3 DR0964 INCHIKEY NSMXQKNUPPXBRG-SECBINFHSA-N DR0964 DRUINCHI 1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/t9-/m1/s1 DR0964 CASMILES CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O DR0964 CAS__NUM CAS 100324-81-0 DR0964 CHEBINUM 143527 DR0964 PUBCMSID 800897; 10315984; 12014864; 14750891; 14897550; 38687951; 47206567; 57405840; 69520027; 80273756; 103490818; 109719255; 124897817; 128748421; 137249455; 142219154; 163121750; 164228262; 164761609; 198942324; 198943107; 226424558; 250136926; 252468008 DR0965 DRUG__ID DR0965 DR0965 DRUGNAME Lisuride DR0965 PUBCMCID 28864 DR0965 TTDRUGID D0X7KB DR0965 DFORMULA C20H26N4O DR0965 INCHIKEY BKRGVLQUQGGVSM-KBXCAEBGSA-N DR0965 DRUINCHI 1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1 DR0965 CASMILES CCN(CC)C(=O)NC1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C DR0965 CAS__NUM CAS 18016-80-3 DR0965 CHEBINUM 51164 DR0965 PUBCMSID 7979782; 8170644; 10321508; 11466134; 11467254; 11485767; 14827074; 16304643; 34671274; 46505557; 47216935; 47440423; 47515485; 47810926; 47885573; 48416176; 49698348; 50060231; 56464344; 57309764; 57310710; 76836308; 92125058; 96024822; 103408740; 103914001; 103952701; 104303892; 124749968; 124893624; 127339697; 127339698; 127339699; 127339700; 127339701; 127529620; 134337569; 134340181; 134340461; 135269077; 135650525; 137001465; 137225007; 142950042; 160963934; 163304387; 164761611; 179150133; 224890570; 226428258 DR0966 DRUG__ID DR0966 DR0966 DRUGNAME CKD-501 DR0966 PUBCMCID 15951505 DR0966 TTDRUGID D04BCB DR0966 DFORMULA C24H26N4O9S2 DR0966 INCHIKEY IFBYQAMJTBOBHB-UHFFFAOYSA-N DR0966 DRUINCHI 1S/C24H24N4O5S.H2O4S/c1-28(21-14-22(26-15-25-21)33-19-9-7-17(31-2)8-10-19)11-12-32-18-5-3-16(4-6-18)13-20-23(29)27-24(30)34-20;1-5(2,3)4/h3-10,14-15,20H,11-13H2,1-2H3,(H,27,29,30);(H2,1,2,3,4) DR0966 CASMILES CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC(=NC=N3)OC4=CC=C(C=C4)OC.OS(=O)(=O)O DR0966 CAS__NUM CAS 607723-33-1 DR0967 DRUG__ID DR0967 DR0967 DRUGNAME Lofexidine DR0967 PUBCMCID 30668 DR0967 TTDRUGID D0K0MW DR0967 DFORMULA C11H12Cl2N2O DR0967 INCHIKEY KSMAGQUYOIHWFS-UHFFFAOYSA-N DR0967 DRUINCHI 1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) DR0967 CASMILES CC(C1=NCCN1)OC2=C(C=CC=C2Cl)Cl DR0967 CAS__NUM CAS 31036-80-3 DR0967 CHEBINUM 51368 DR0967 PUBCMSID 4955007; 7979787; 8171702; 14774610; 34672885; 46508453; 48416180; 49980645; 56464309; 57310968; 77865548; 91614206; 92309039; 96024831; 103182297; 103930569; 104308830; 117466455; 128428177; 131309952; 134224363; 134337392; 134357768; 135023284; 137069359; 142970890; 152039684; 160967834; 164811810; 170466275; 172876170; 174560267; 175611898; 176484253; 179150300; 179499877; 184643900; 224374099; 226432808; 241060023; 252448593 DR0968 DRUG__ID DR0968 DR0968 DRUGNAME Lomefloxacin DR0968 PUBCMCID 3948 DR0968 TTDRUGID D02KOF DR0968 DFORMULA C17H19F2N3O3 DR0968 INCHIKEY ZEKZLJVOYLTDKK-UHFFFAOYSA-N DR0968 DRUINCHI 1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25) DR0968 CASMILES CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F)C(=O)O DR0968 CAS__NUM CAS 98079-51-7 DR0968 CHEBINUM 116278 DR0968 PUBCMSID 9289; 602955; 5037068; 7849377; 7979788; 8152478; 11335540; 11360779; 11364325; 11366887; 11369449; 11372706; 11373775; 11377611; 11461751; 11466266; 11467386; 11484587; 11485972; 11488512; 11491309; 11491973; 11495245; 14851991; 24278514; 29223062; 46508499; 47291062; 47588922; 47588923; 47736397; 47736398; 48035031; 48110376; 48334411; 48334412; 49698401; 49835841; 50042514; 50111115; 50122921; 50122922; 50203310; 56313756; 57322062; 85321506; 85788434; 90340951; 92309292; 103178831 DR0969 DRUG__ID DR0969 DR0969 DRUGNAME KB-2796 DR0969 PUBCMCID 3949 DR0969 TTDRUGID D0N3ZJ DR0969 DFORMULA C27H30F2N2O3 DR0969 INCHIKEY JQSAYKKFZOSZGJ-UHFFFAOYSA-N DR0969 DRUINCHI 1S/C27H30F2N2O3/c1-32-24-13-8-21(26(33-2)27(24)34-3)18-30-14-16-31(17-15-30)25(19-4-9-22(28)10-5-19)20-6-11-23(29)12-7-20/h4-13,25H,14-18H2,1-3H3 DR0969 CASMILES COC1=C(C(=C(C=C1)CN2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC)OC DR0969 CAS__NUM CAS 101477-55-8 DR0969 CHEBINUM 94682 DR0971 DRUG__ID DR0971 DR0971 DRUGNAME Lomitapide mesylate DR0971 PUBCMCID 11274333 DR0971 DFORMULA C40H41F6N3O5S DR0971 INCHIKEY QKVKOFVWUHNEBX-UHFFFAOYSA-N DR0971 DRUINCHI 1S/C39H37F6N3O2.CH4O3S/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45;1-5(2,3)4/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49);1H3,(H,2,3,4) DR0971 CASMILES CS(=O)(=O)O.C1CN(CCC1NC(=O)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F)CCCCC4(C5=CC=CC=C5C6=CC=CC=C64)C(=O)NCC(F)(F)F DR0971 CAS__NUM CAS 202914-84-9 DR0971 CHEBINUM 72299 DR0974 DRUG__ID DR0974 DR0974 DRUGNAME Loperamide hydrochloride DR0974 PUBCMCID 71420 DR0974 TTDRUGID D0CS2F DR0974 DFORMULA C29H34Cl2N2O2 DR0974 INCHIKEY PGYPOBZJRVSMDS-UHFFFAOYSA-N DR0974 DRUINCHI 1S/C29H33ClN2O2.ClH/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23;/h3-16,34H,17-22H2,1-2H3;1H DR0974 CASMILES CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4.Cl DR0974 CAS__NUM CAS 34552-83-5 DR0974 CHEBINUM 6533 DR0976 DRUG__ID DR0976 DR0976 DRUGNAME Lopinavir DR0976 PUBCMCID 92727 DR0976 TTDRUGID D0U5GB DR0976 DFORMULA C37H48N4O5 DR0976 INCHIKEY KJHKTHWMRKYKJE-SUGCFTRWSA-N DR0976 DRUINCHI 1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1 DR0976 CASMILES CC1=C(C(=CC=C1)C)OCC(=O)NC(CC2=CC=CC=C2)C(CC(CC3=CC=CC=C3)NC(=O)C(C(C)C)N4CCCNC4=O)O DR0976 CAS__NUM CAS 192725-17-0 DR0976 CHEBINUM 31781 DR0976 PUBCMSID 583260; 615079; 826916; 841952; 7848488; 7885634; 7979791; 10225535; 11108093; 11528784; 14912304; 14912305; 26737285; 26757998; 44423527; 46392556; 46508588; 49853992; 50086984; 50096471; 50096475; 50111692; 53812811; 53812974; 56310583; 57335304; 76999753; 87557375; 87557376; 99437252; 103198077; 104178992; 104408196; 123080504; 124757206; 124893167; 125164010; 126522368; 126655919; 126665841; 127310211; 127310212; 127310213; 127338643; 127338644; 127338645; 134337997; 135051036; 136283935; 136367896 DR0977 DRUG__ID DR0977 DR0977 DRUGNAME Loratadine DR0977 PUBCMCID 3957 DR0977 TTDRUGID D06ABF DR0977 DFORMULA C22H23ClN2O2 DR0977 INCHIKEY JCCNYMKQOSZNPW-UHFFFAOYSA-N DR0977 DRUINCHI 1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 DR0977 CASMILES CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1 DR0977 CAS__NUM CAS 79794-75-5 DR0977 CHEBINUM 6538 DR0977 PUBCMSID 535878; 855843; 1197563; 4964188; 7847430; 7979793; 8150042; 8152484; 11111394; 11113345; 11335967; 11361206; 11364390; 11366952;11369514; 11371620; 11373832; 11377676; 11445825; 11462178; 11485284; 11489400; 11490556; 11491992; 11495310; 11528699; 12013131; 14804759; 17405241; 24278525; 25623638; 26612522; 26680506; 26719690;26747010; 26751528; 29223071; 46386837; 46507853; 47365230; 48035159; 48110481; 48110482; 48259268; 48416183; 49835216; 49846690; 50100268; 50104102; 50104103 DR0978 DRUG__ID DR0978 DR0978 DRUGNAME Lorazepam DR0978 PUBCMCID 3958 DR0978 TTDRUGID D0E0OG DR0978 DFORMULA C15H10Cl2N2O2 DR0978 INCHIKEY DIWRORZWFLOCLC-UHFFFAOYSA-N DR0978 DRUINCHI 1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20) DR0978 CASMILES C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O)Cl DR0978 CAS__NUM CAS 846-49-1 DR0978 CHEBINUM 52993 DR0978 PUBCMSID 145006; 597377; 3249123; 4964189; 7847431; 7849642; 7979801; 8150120; 8152485; 10536882; 11336140; 11361379; 11462351; 14801418; 24896291; 29215381; 29223072; 46386878; 46508468; 48035217; 48416184; 49884087; 50340424; 53789194; 56313651; 57322068; 92308613; 99233258; 99302053; 103179427; 104134178; 104305018; 124659146; 124759848; 125536697; 126674761; 127741279; 131327750; 134337551; 134979720; 135697881; 137008105; 137201885; 140053026; 144097671; 144205222; 152043722; 160963534; 162022367; 162725399 DR0979 DRUG__ID DR0979 DR0979 DRUGNAME Lorcaserin DR0979 PUBCMCID 11658860 DR0979 TTDRUGID D01JMC DR0979 DFORMULA C11H14ClN DR0979 INCHIKEY XTTZERNUQAFMOF-QMMMGPOBSA-N DR0979 DRUINCHI 1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1 DR0979 CASMILES CC1CNCCC2=C1C=C(C=C2)Cl DR0979 CAS__NUM CAS 616202-92-7 DR0979 CHEBINUM 65353 DR0979 PUBCMSID 16769280; 23759570; 50076564; 56405331; 80942818; 81044375; 92719328; 93309628; 103443775; 104047951; 124894047; 126620900; 126651854; 126665802; 132608831; 135261408; 135650530; 135723896; 135727785; 137001355; 140812879; 144206569; 160644926; 160827934; 163093396; 163391282; 163620732; 163686045; 164228304; 164761636; 170466882; 170524167; 172087023; 175268181; 184816814; 198993060; 204431113; 223399569; 223565951; 223676318; 224280758; 226531083; 247440081; 249582104; 252438298 DR0980 DRUG__ID DR0980 DR0980 DRUGNAME Lorlatinib DR0980 PUBCMCID 71731823 DR0980 TTDRUGID D0AF6O DR0980 DFORMULA C21H19FN6O2 DR0980 INCHIKEY IIXWYSCJSQVBQM-LLVKDONJSA-N DR0980 DRUINCHI 1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1 DR0980 CASMILES CC1C2=C(C=CC(=C2)F)C(=O)N(CC3=NN(C(=C3C4=CC(=C(N=C4)N)O1)C#N)C)C DR0980 CAS__NUM CAS 1454846-35-5 DR0980 CHEBINUM 143117 DR0981 DRUG__ID DR0981 DR0981 DRUGNAME Lornoxicam DR0981 PUBCMCID 54690031 DR0981 TTDRUGID D0UL2L DR0981 DFORMULA C13H10ClN3O4S2 DR0981 INCHIKEY WLHQHAUOOXYABV-UHFFFAOYSA-N DR0981 DRUINCHI 1S/C13H10ClN3O4S2/c1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12/h2-6,18H,1H3,(H,15,16,19) DR0981 CASMILES CN1C(=C(C2=C(S1(=O)=O)C=C(S2)Cl)O)C(=O)NC3=CC=CC=N3 DR0981 CAS__NUM CAS 70374-39-9 DR0981 CHEBINUM 31783 DR0982 DRUG__ID DR0982 DR0982 DRUGNAME Lorpiprazole DR0982 PUBCMCID 3045380 DR0982 DFORMULA C21H26F3N5 DR0982 INCHIKEY BNRMWKUVWLKDQJ-CRAIPNDOSA-N DR0982 DRUINCHI 1S/C21H26F3N5/c22-21(23,24)16-4-2-5-17(13-16)28-11-9-27(10-12-28)8-7-19-25-26-20-18-6-1-3-15(18)14-29(19)20/h2,4-5,13,15,18H,1,3,6-12,14H2/t15-,18-/m1/s1 DR0982 CASMILES C1CC2CN3C(=NN=C3C2C1)CCN4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F DR0982 CAS__NUM CAS 108785-69-9 DR0984 DRUG__ID DR0984 DR0984 DRUGNAME Losartan potassium DR0984 PUBCMCID 11751549 DR0984 TTDRUGID D0DD0K DR0984 DFORMULA C22H22ClKN6O DR0984 INCHIKEY OXCMYAYHXIHQOA-UHFFFAOYSA-N DR0984 DRUINCHI 1S/C35H43N5O4/c1-38(34(42)29-13-11-26(12-14-29)25-40-19-15-28(16-20-40)33(36)41)23-24-39-21-17-30(18-22-39)44-35(43)37-32-10-6-5-9-31(32)27-7-3-2-4-8-27/h2-14,28,30H,15-25H2,1H3,(H2,36,41)(H,37,43) DR0984 CASMILES CN(CCN1CCC(CC1)OC(=O)NC2=CC=CC=C2C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)CN5CCC(CC5)C(=O)N DR0984 CAS__NUM CAS 864750-70-9 DR0985 DRUG__ID DR0985 DR0985 DRUGNAME Loteprednol etabonate DR0985 PUBCMCID 444025 DR0985 TTDRUGID D0X6GN DR0985 DFORMULA C24H31ClO7 DR0985 INCHIKEY DMKSVUSAATWOCU-HROMYWEYSA-N DR0985 DRUINCHI 1S/C24H31ClO7/c1-4-30-21(29)32-24(20(28)31-13-25)10-8-17-16-6-5-14-11-15(26)7-9-22(14,2)19(16)18(27)12-23(17,24)3/h7,9,11,16-19,27H,4-6,8,10,12-13H2,1-3H3/t16-,17-,18-,19+,22-,23-,24-/m0/s1 DR0985 CASMILES CCOC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)OCCl DR0985 CAS__NUM CAS 82034-46-6 DR0985 CHEBINUM 31784 DR0985 PUBCMSID 7848752; 10299468; 12014581; 14809424; 14834133; 36887139; 46386647; 49681758; 53788349; 56352909; 57404592; 71824934; 74388043; 92308346; 103770848; 104253297; 104631159; 109692941; 124659028; 124757418; 124800193; 125164222; 126592942; 127755782; 134338307; 135014568; 135692220; 137023315; 140684370; 144205772; 152258757; 160647602; 160964214; 162179036; 164811824; 170465195; 172080414; 175266502; 176484705; 178103663; 179151237; 184664942; 226412422; 249850601; 252220094; 252359498 DR0986 DRUG__ID DR0986 DR0986 DRUGNAME Lovastatin DR0986 PUBCMCID 53232 DR0986 TTDRUGID D06WTZ DR0986 DFORMULA C24H36O5 DR0986 INCHIKEY PCZOHLXUXFIOCF-BXMDZJJMSA-N DR0986 DRUINCHI 1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1 DR0986 CASMILES CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C DR0986 CAS__NUM CAS 75330-75-5 DR0986 CHEBINUM 40303 DR0986 PUBCMSID 9285; 496591; 623233; 855905; 7734777; 7847425; 7885508; 7979813; 8150103; 8182985; 10321765; 10852021; 11336207; 11361446; 11372945; 11462418; 11466544; 11467664; 11486128; 11491688; 11528634; 12012664; 12146073; 14806053; 14879393; 17389841; 22395934; 24896706; 25622285; 26612569; 26680612; 26697338; 26751557; 26759065; 34717349; 46391668; 46508223; 47515402; 47589078; 47662390; 47662391; 47662392; 47736583; 47959858; 47959859; 48035229; 48185079; 48334593; 48413948; 48416187 DR0989 DRUG__ID DR0989 DR0989 DRUGNAME Loxapine succinate DR0989 PUBCMCID 71399 DR0989 TTDRUGID D0U5OE DR0989 DFORMULA C22H24ClN3O5 DR0989 INCHIKEY YQZBAXDVDZTKEQ-UHFFFAOYSA-N DR0989 DRUINCHI 1S/C18H18ClN3O.C4H6O4/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18;5-3(6)1-2-4(7)8/h2-7,12H,8-11H2,1H3;1-2H2,(H,5,6)(H,7,8) DR0989 CASMILES CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl.C(CC(=O)O)C(=O)O DR0989 CAS__NUM CAS 27833-64-3 DR0989 CHEBINUM 6549 DR0990 DRUG__ID DR0990 DR0990 DRUGNAME CS-600G DR0990 PUBCMCID 3965 DR0990 DFORMULA C15H18O3 DR0990 INCHIKEY YMBXTVYHTMGZDW-UHFFFAOYSA-N DR0990 DRUINCHI 1S/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18) DR0990 CASMILES CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)O DR0990 CAS__NUM CAS 68767-14-6 DR0990 CHEBINUM 76172 DR0991 DRUG__ID DR0991 DR0991 DRUGNAME TRP-01 DR0991 PUBCMCID 6305 DR0991 TTDRUGID D05EJG DR0991 DFORMULA C11H12N2O2 DR0991 INCHIKEY QIVBCDIJIAJPQS-VIFPVBQESA-N DR0991 DRUINCHI 1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 DR0991 CASMILES C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N DR0991 CAS__NUM CAS 73-22-3 DR0991 CHEBINUM 16828 DR0991 PUBCMSID 3378; 605298; 820596; 821032; 822330; 822480; 823942; 826461; 830210; 834088; 841615; 854680; 855044; 3134836; 6435732; 6436701; 7847088; 7888703; 7890877; 7980851; 8026883; 8144649; 8149576; 8153976; 10322924; 10534147; 11109884; 11111851; 11335632; 11360871; 11461843; 11528964; 14710264; 14710293; 14916602; 15195597; 17405739; 24276916; 24277675; 24278135; 24714971; 24770171; 24844224; 24889916; 24900200; 24900575; 25622645; 26703933; 26711994; 26712808 DR0992 DRUG__ID DR0992 DR0992 DRUGNAME Lumefantrine DR0992 PUBCMCID 6437380 DR0992 TTDRUGID D06MQM DR0992 DFORMULA C30H32Cl3NO DR0992 INCHIKEY DYLGFOYVTXJFJP-MYYYXRDXSA-N DR0992 DRUINCHI 1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3/b25-15- DR0992 CASMILES CCCCN(CCCC)CC(C1=CC(=CC2=C1C3=C(C2=CC4=CC=C(C=C4)Cl)C=C(C=C3)Cl)Cl)O DR0992 CAS__NUM CAS 82186-77-4 DR0992 CHEBINUM 156095 DR0992 PUBCMSID 11967754; 14885370; 43030476; 47205892; 50065264; 50112743; 57367877; 75869758; 81092876; 85352679; 92720559; 93620655; 99007025; 99443260; 103215332; 114553360; 121360926; 126619887; 126647975; 126666837; 131327225; 131332294; 134222610; 135065105; 135684152; 136375542; 136949638; 137249473; 144206044; 152057600; 160967877; 162170615; 163656731; 164825530; 170465388; 172090904; 173896963; 174477484; 174530872; 175612331; 176235915; 179148062; 179322661; 180372451; 184017215; 184548301; 185974013; 187072118; 196111343; 198991533 DR0993 DRUG__ID DR0993 DR0993 DRUGNAME Lumiracoxib DR0993 PUBCMCID 151166 DR0993 TTDRUGID D04YMH DR0993 DFORMULA C15H13ClFNO2 DR0993 INCHIKEY KHPKQFYUPIUARC-UHFFFAOYSA-N DR0993 DRUINCHI 1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20) DR0993 CASMILES CC1=CC(=C(C=C1)NC2=C(C=CC=C2Cl)F)CC(=O)O DR0993 CAS__NUM CAS 220991-20-8 DR0993 CHEBINUM 73044 DR0993 PUBCMSID 6889610; 10251040; 12015303; 14898109; 17397805; 46227733; 46506378; 50069519; 50070561; 50071183; 50126342; 50146068; 57347306; 76715547; 81041141; 81145916; 92718829; 103562109; 104084914; 104430341; 121362203; 123043886; 125345177; 126628436; 126645712; 126669886; 128383506; 131305772; 134338241; 135106949; 136948146; 137001909; 139667196; 144162368; 144207115; 152034557; 160661707; 160661708; 160964604; 162009833; 162169214; 163108814; 164786748; 166237623; 170465597; 172659601; 175610946; 178100246; 179150172; 184545760 DR0994 DRUG__ID DR0994 DR0994 DRUGNAME Lurasidone DR0994 PUBCMCID 213046 DR0994 TTDRUGID D01QGX DR0994 DFORMULA C28H36N4O2S DR0994 INCHIKEY PQXKDMSYBGKCJA-CVTJIBDQSA-N DR0994 DRUINCHI 1S/C28H36N4O2S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/t18-,19+,20-,21-,24+,25-/m0/s1 DR0994 CASMILES C1CCC(C(C1)CN2CCN(CC2)C3=NSC4=CC=CC=C43)CN5C(=O)C6C7CCC(C7)C6C5=O DR0994 CAS__NUM CAS 367514-87-2 DR0994 CHEBINUM 70735 DR0994 PUBCMSID 16247346; 30417284; 47362895; 51026536; 57399659; 103068778; 103080863; 104253152; 117591937; 123051051; 134224709; 134339501; 135187871; 135692869; 136351322; 137892911; 160645972; 162011722; 162517092; 175265796; 175427100; 187051764; 223668806; 224768364; 226972568; 249821695; 249866658; 252110201; 252215721; 252448605 DR0996 DRUG__ID DR0996 DR0996 DRUGNAME L-valine DR0996 PUBCMCID 6287 DR0996 TTDRUGID D0LL5V DR0996 DFORMULA C5H11NO2 DR0996 INCHIKEY KZSNJWFQEVHDMF-BYPYZUCNSA-N DR0996 DRUINCHI 1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1 DR0996 CASMILES CC(C)C(C(=O)O)N DR0996 CAS__NUM CAS 72-18-4 DR0996 CHEBINUM 16414 DR0996 PUBCMSID 3483; 595252; 833261; 841335; 3134856; 7847107; 7891042; 8025201; 8143572; 8153964; 10533892; 11528406; 14710672; 14716652; 15119814; 15218854; 17424984; 24890028; 24900695; 24900696; 24900749; 24902117; 29204662; 29225281; 46393202; 46504886; 49748671; 57323321; 57653624; 57654728; 79527381; 81044512; 83100465; 85164900; 85267077; 87350316; 87577814; 87692913; 87692918; 92297810; 96100169; 99224278; 103059097; 103059671; 103224325; 104234101; 104311628; 117365452; 117689352; 124384987 DR0997 DRUG__ID DR0997 DR0997 DRUGNAME Lynestrenol DR0997 PUBCMCID 5857 DR0997 DFORMULA C20H28O DR0997 INCHIKEY YNVGQYHLRCDXFQ-XGXHKTLJSA-N DR0997 DRUINCHI 1S/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,6,15-18,21H,4-5,7-13H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1 DR0997 CASMILES CC12CCC3C(C1CCC2(C#C)O)CCC4=CCCCC34 DR0997 CAS__NUM CAS 52-76-6 DR0997 CHEBINUM 31790 DR0998 DRUG__ID DR0998 DR0998 DRUGNAME Macitentan DR0998 PUBCMCID 16004692 DR0998 TTDRUGID D0S7JH DR0998 DFORMULA C19H20Br2N6O4S DR0998 INCHIKEY JGCMEBMXRHSZKX-UHFFFAOYSA-N DR0998 DRUINCHI 1S/C19H20Br2N6O4S/c1-2-7-26-32(28,29)27-17-16(13-3-5-14(20)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-15(21)11-23-19/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27) DR0998 CASMILES CCCNS(=O)(=O)NC1=C(C(=NC=N1)OCCOC2=NC=C(C=N2)Br)C3=CC=C(C=C3)Br DR0998 CAS__NUM CAS 441798-33-0 DR0998 CHEBINUM 76607 DR0998 PUBCMSID 24380756; 28680076; 37128307; 135262332; 135626853; 136023841; 139257646; 152256091; 152258558; 160647393; 160703277; 162202062; 163344650; 171572070; 172087019; 172096639; 174007274; 175427162; 178103924; 184815478; 189628674; 198971703; 198993773; 223385903; 223701845; 223705199; 227656403; 241382239; 242590074; 248261348; 249867527; 250225136; 252069311; 252110242; 252166931; 252225701; 252437394; 252451827 DR1000 DRUG__ID DR1000 DR1000 DRUGNAME Malathion DR1000 PUBCMCID 4004 DR1000 TTDRUGID D0K3LW DR1000 DFORMULA C10H19O6PS2 DR1000 INCHIKEY JXSJBGJIGXNWCI-UHFFFAOYSA-N DR1000 DRUINCHI 1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3 DR1000 CASMILES CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC DR1000 CAS__NUM CAS 121-75-5 DR1000 CHEBINUM 6651 DR1000 PUBCMSID 9700; 72491; 5635026; 7847600; 8152511; 10505736; 11341657; 11361840; 11364699; 11367261; 11369823; 11371904; 11374164; 11377987; 11484812; 11487242; 11489044; 11490629; 11492468; 11495609; 11533337; 14895285; 17389839; 24862222; 24896587; 24897403; 24899302; 26680255; 26753130; 26753131; 29223115; 46505287; 47885548; 47959913; 48413955; 48415164; 48421591; 48423623; 48425254; 48425934; 49854841; 50105655; 50105656; 50105657; 53790330; 56312213; 56314278; 56369337; 57322090; 57649475 DR1001 DRUG__ID DR1001 DR1001 DRUGNAME CV-4093 DR1001 PUBCMCID 4008 DR1001 TTDRUGID D08TVA DR1001 DFORMULA C35H38N4O6 DR1001 INCHIKEY ANEBWFXPVPTEET-UHFFFAOYSA-N DR1001 DRUINCHI 1S/C35H38N4O6/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-16,23,32-33,36H,17-22H2,1-3H3 DR1001 CASMILES CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC DR1001 CAS__NUM CAS 89226-50-6 DR1001 CHEBINUM 135849 DR1002 DRUG__ID DR1002 DR1002 DRUGNAME Manidipine 2HCl DR1002 PUBCMCID 150762 DR1002 TTDRUGID D0I9VY DR1002 DFORMULA C35H40Cl2N4O6 DR1002 INCHIKEY JINNGBXKBDUGQT-UHFFFAOYSA-N DR1002 DRUINCHI 1S/C35H38N4O6.2ClH/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27;;/h4-16,23,32-33,36H,17-22H2,1-3H3;2*1H DR1002 CASMILES CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC.Cl.Cl DR1002 CAS__NUM CAS 89226-75-5 DR1002 CHEBINUM 31800 DR1004 DRUG__ID DR1004 DR1004 DRUGNAME Maprotiline hydrochloride DR1004 PUBCMCID 71478 DR1004 TTDRUGID D03KQF DR1004 DFORMULA C20H24ClN DR1004 INCHIKEY NZDMFGKECODQRY-UHFFFAOYSA-N DR1004 DRUINCHI 1S/C20H23N.ClH/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20;/h2-5,7-10,15,21H,6,11-14H2,1H3;1H DR1004 CASMILES CNCCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24.Cl DR1004 CAS__NUM CAS 10347-81-6 DR1004 CHEBINUM 6691 DR1005 DRUG__ID DR1005 DR1005 DRUGNAME Mebendazole DR1005 PUBCMCID 4030 DR1005 TTDRUGID D0J1MI DR1005 DFORMULA C16H13N3O3 DR1005 INCHIKEY OPXLLQIJSORQAM-UHFFFAOYSA-N DR1005 DRUINCHI 1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21) DR1005 CASMILES COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3 DR1005 CAS__NUM CAS 31431-39-7 DR1005 CHEBINUM 6704 DR1005 PUBCMSID 447580; 603018; 841968; 855610; 934559; 3206369; 3314033; 4782129; 7659513; 7847434; 7979874; 8149709; 8152521; 10321384; 10589234; 11109644; 11112718; 11139496; 11335926; 11361165; 11364192; 11366754; 11369316; 11372497; 11373851; 11377478; 11462137; 11466245; 11467365; 11485178; 11485890; 11489217; 11491254; 11492231; 11495112; 11500651; 14898153; 24870130; 24896742; 26612167; 26675660; 26680066; 26746927; 26746928; 29223141; 46508807; 47291163; 47365215; 47365216; 47589024 DR1006 DRUG__ID DR1006 DR1006 DRUGNAME Meclizine DR1006 PUBCMCID 4034 DR1006 TTDRUGID D0T1XW DR1006 DFORMULA C25H27ClN2 DR1006 INCHIKEY OCJYIGYOJCODJL-UHFFFAOYSA-N DR1006 DRUINCHI 1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3 DR1006 CASMILES CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl DR1006 CAS__NUM CAS 569-65-3 DR1006 CHEBINUM 6709 DR1006 PUBCMSID 9327; 442158; 4782133; 7979876; 8152525; 10527723; 11335582; 11360821; 11363785; 11366347; 11368909; 11371549; 11373612; 11377071; 11461793; 11466485; 11467605; 11483836; 11486209; 11487926; 11490301; 11491852; 11494705; 14805236; 29223145; 46507782; 47440184; 47515252; 47810681; 47959664; 48035039; 48110390; 48334421; 48416201; 49698867; 50012193; 50807781; 57322105; 76715647; 85209822; 85788825; 96024853; 103604960; 104305237; 117409993; 124883625; 124883627; 125312386; 125823630; 126689207 DR1007 DRUG__ID DR1007 DR1007 DRUGNAME Medazepam DR1007 PUBCMCID 4041 DR1007 DFORMULA C16H15ClN2 DR1007 INCHIKEY YLCXGBZIZBEVPZ-UHFFFAOYSA-N DR1007 DRUINCHI 1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3 DR1007 CASMILES CN1CCN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3 DR1007 CAS__NUM CAS 2898-12-6 DR1007 CHEBINUM 31807 DR1009 DRUG__ID DR1009 DR1009 DRUGNAME Medifoxamine DR1009 PUBCMCID 36109 DR1009 DFORMULA C16H19NO2 DR1009 INCHIKEY QNMGHBMGNRQPNL-UHFFFAOYSA-N DR1009 DRUINCHI 1S/C16H19NO2/c1-17(2)13-16(18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3 DR1009 CASMILES CN(C)CC(OC1=CC=CC=C1)OC2=CC=CC=C2 DR1009 CAS__NUM CAS 32359-34-5 DR1009 CHEBINUM 135061 DR1010 DRUG__ID DR1010 DR1010 DRUGNAME Medrogestone DR1010 PUBCMCID 9949848 DR1010 DFORMULA C23H32O2 DR1010 INCHIKEY HCFSGRMEEXUOSS-JXEXPEPMSA-N DR1010 DRUINCHI 1S/C23H32O2/c1-14-12-17-18(21(3)9-6-16(25)13-20(14)21)7-11-23(5)19(17)8-10-22(23,4)15(2)24/h12-13,17-19H,6-11H2,1-5H3/t17-,18+,19+,21-,22-,23+/m1/s1 DR1010 CASMILES CC1=CC2C(CCC3(C2CCC3(C)C(=O)C)C)C4(C1=CC(=O)CC4)C DR1010 CAS__NUM CAS 977-79-7 DR1010 CHEBINUM 135446 DR1012 DRUG__ID DR1012 DR1012 DRUGNAME Medroxyprogesterone acetate DR1012 PUBCMCID 6279 DR1012 TTDRUGID D0I2SD DR1012 DFORMULA C24H34O4 DR1012 INCHIKEY PSGAAPLEWMOORI-PEINSRQWSA-N DR1012 DRUINCHI 1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1 DR1012 CASMILES CC1CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C DR1012 CAS__NUM CAS 71-58-9 DR1012 CHEBINUM 6716 DR1013 DRUG__ID DR1013 DR1013 DRUGNAME Medrysone DR1013 PUBCMCID 247839 DR1013 TTDRUGID D04SFH DR1013 DFORMULA C22H32O3 DR1013 INCHIKEY GZENKSODFLBBHQ-ILSZZQPISA-N DR1013 DRUINCHI 1S/C22H32O3/c1-12-9-15-17-6-5-16(13(2)23)22(17,4)11-19(25)20(15)21(3)8-7-14(24)10-18(12)21/h10,12,15-17,19-20,25H,5-9,11H2,1-4H3/t12-,15-,16+,17-,19-,20+,21-,22+/m0/s1 DR1013 CASMILES CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)CC4)C)O)C)C(=O)C DR1013 CAS__NUM CAS 2668-66-8 DR1013 CHEBINUM 34829 DR1013 PUBCMSID 109976; 7849348; 7979880; 9395740; 10321190; 11466771; 11467891; 11486401; 11533031; 14827409; 17395643; 24896551; 30046333; 46506584; 47276848; 47425535; 47500776; 47647746; 48020242; 48170674; 49698627; 50124175; 50322454; 56423131; 57400476; 71825554; 85148347; 85788382; 89850274; 92125692; 95613570; 103771156; 103913670; 104170097; 104493518; 121362376; 121363363; 124583836; 124800109; 128027553; 134338310; 134983239; 137001649; 144204077; 160963601; 170465194; 172080722; 175266363; 175611984; 178103664 DR1014 DRUG__ID DR1014 DR1014 DRUGNAME Mefenamic acid DR1014 PUBCMCID 4044 DR1014 TTDRUGID D05FTJ DR1014 DFORMULA C15H15NO2 DR1014 INCHIKEY HYYBABOKPJLUIN-UHFFFAOYSA-N DR1014 DRUINCHI 1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18) DR1014 CASMILES CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C DR1014 CAS__NUM CAS 61-68-7 DR1014 CHEBINUM 6717 DR1014 PUBCMSID 5243; 399652; 798379; 840129; 855723; 4906250; 7847219; 7872085; 7979881; 8149703; 8152534; 10321491; 10530006; 11112163; 11335473; 11360712; 11363068; 11365630; 11368192; 11372043; 11374868; 11376354; 11461684; 11466082; 11467202; 11485737; 11485864; 11489757; 11490897; 11493049; 11493988; 14847469; 24424559; 24715034; 24896815; 26512268; 26612162; 26679725; 26746974; 26746975; 26751493; 29223155; 46505405; 47365092; 47440151; 47440152; 47662184; 47662185; 48035004; 48184900 DR1016 DRUG__ID DR1016 DR1016 DRUGNAME Mefloquine hydrochloride DR1016 PUBCMCID 65329 DR1016 TTDRUGID D0GQ7K DR1016 DFORMULA C17H17ClF6N2O DR1016 INCHIKEY WESWYMRNZNDGBX-YLCXCWDSSA-N DR1016 DRUINCHI 1S/C17H16F6N2O.ClH/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11;/h3-5,8,12,15,24,26H,1-2,6-7H2;1H/t12-,15+;/m1./s1 DR1016 CASMILES C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O.Cl DR1016 CAS__NUM CAS 51742-86-0 DR1016 CHEBINUM 6719 DR1017 DRUG__ID DR1017 DR1017 DRUGNAME Megestrol acetate DR1017 PUBCMCID 11683 DR1017 TTDRUGID D04GJN DR1017 DFORMULA C24H32O4 DR1017 INCHIKEY RQZAXGRLVPAYTJ-GQFGMJRRSA-N DR1017 DRUINCHI 1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1 DR1017 CASMILES CC1=CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C DR1017 CAS__NUM CAS 595-33-5 DR1018 DRUG__ID DR1018 DR1018 DRUGNAME Melatonin DR1018 PUBCMCID 896 DR1018 TTDRUGID D0AN7B DR1018 DFORMULA C13H16N2O2 DR1018 INCHIKEY DRLFMBDRBRZALE-UHFFFAOYSA-N DR1018 DRUINCHI 1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) DR1018 CASMILES CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC DR1018 CAS__NUM CAS 73-31-4 DR1018 CHEBINUM 16796 DR1018 PUBCMSID 2961; 4752; 105815; 410775; 798411; 841969; 893664; 3133753; 4906256; 7636333; 7961516; 7979886; 8144655; 8149639; 8150851; 10321385; 10534170; 10589869; 11111467; 11111468; 11111469; 11221066; 11335528; 11360767; 11363079; 11365641; 11368203; 11372325; 11373730; 11376365; 11408768; 11461739; 11466486; 11467606; 11485263; 11486211; 11489160; 11491208; 11491881; 11493999; 11536797; 11537588; 14773848; 17388930; 17389536; 17405348; 24278103; 24439254; 26612030; 26679682 DR1020 DRUG__ID DR1020 DR1020 DRUGNAME Meloxicam DR1020 PUBCMCID 54677470 DR1020 TTDRUGID D0G7FJ DR1020 DFORMULA C14H13N3O4S2 DR1020 INCHIKEY ZRVUJXDFFKFLMG-UHFFFAOYSA-N DR1020 DRUINCHI 1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) DR1020 CASMILES CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O DR1020 CAS__NUM CAS 71125-38-7 DR1020 CHEBINUM 6741 DR1020 PUBCMSID 10369; 855815; 6681236; 7848032; 7979894; 11364527; 11367089; 11369651; 11371577; 11374373; 11377813; 11484638; 11488757; 11490465; 11492602; 11495447; 11528628; 12013466; 14754262; 26612637; 26680359; 26747003; 26747004; 26759123; 29223163; 39290017; 39404337; 42685351; 46506624; 47216906; 47589118; 47589119; 47736629; 48259389; 48413967; 49834840; 50085983; 50100965; 53598948; 53598949; 53598950; 53790511; 56313654; 56320470; 57358017; 81093329; 85087488; 85174237; 87560523; 89736106 DR1021 DRUG__ID DR1021 DR1021 DRUGNAME Melphalan DR1021 PUBCMCID 460612 DR1021 TTDRUGID D00FGO DR1021 DFORMULA C13H18Cl2N2O2 DR1021 INCHIKEY SGDBTWWWUNNDEQ-LBPRGKRZSA-N DR1021 DRUINCHI 1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1 DR1021 CASMILES C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl DR1021 CAS__NUM CAS 148-82-3 DR1021 CHEBINUM 28876 DR1021 PUBCMSID 9332; 611396; 7847435; 7979898; 8149411; 10303302; 10321915; 11335828; 11361067; 11363291; 11365853; 11368415; 11371727; 11374423; 11376577; 11462039; 11484023; 11487890; 11490500; 11492697; 11494211; 14874007; 14898602; 17389837; 24278538; 26611805; 26680129; 26752787; 46509130; 47588994; 47662283; 47736480; 47959741; 48413968; 48416205; 48423637; 48425272; 49831062; 49855032; 49865835; 50105436; 50989121; 53790153; 56463160; 57288513; 57288721; 57405528; 85789225; 91010646; 92307226 DR1022 DRUG__ID DR1022 DR1022 DRUGNAME Menadione DR1022 PUBCMCID 4055 DR1022 TTDRUGID D03GET DR1022 DFORMULA C11H8O2 DR1022 INCHIKEY MJVAVZPDRWSRRC-UHFFFAOYSA-N DR1022 DRUINCHI 1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3 DR1022 CASMILES CC1=CC(=O)C2=CC=CC=C2C1=O DR1022 CAS__NUM CAS 58-27-5 DR1022 CHEBINUM 28869 DR1022 PUBCMSID 7751; 70547; 607330; 853737; 853809; 3133921; 6380040; 7849394; 7891061; 8136904; 8149919; 8152543; 10321386; 10528213; 11112142; 11120351; 11120839; 11121327; 11335255; 11341462; 11360494; 11361645; 11364122; 11364936; 11366684; 11367498; 11369246; 11370060; 11373099; 11374123; 11375660; 11377408; 11378230; 11408337; 11446754; 11461466; 11466487; 11467607; 11485003; 11486213; 11487047; 11489010; 11492537; 11495042; 11532917; 11533196; 12016111; 14772598; 22389508; 24871411 DR1024 DRUG__ID DR1024 DR1024 DRUGNAME Meperidine DR1024 PUBCMCID 4058 DR1024 TTDRUGID D00UYE DR1024 DFORMULA C15H21NO2 DR1024 INCHIKEY XADCESSVHJOZHK-UHFFFAOYSA-N DR1024 DRUINCHI 1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3 DR1024 CASMILES CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2 DR1024 CAS__NUM CAS 57-42-1 DR1024 CHEBINUM 6754 DR1024 PUBCMSID 9338; 841258; 4359668; 7978480; 8152545; 10527888; 11336158; 11361397; 11462369; 14823367; 24882043; 29223169; 46506899; 47736577; 48416212; 49986147; 50185474; 53789706; 57322120; 57651808; 85209612; 96025030; 103184537; 103936336; 104305308; 126407782; 129659418; 134337544; 134970866; 137003750; 140053016; 160963800; 175267872; 177513108; 178103795; 179148680; 184546706; 223440287; 224511988; 226413511; 241102133; 249933926 DR1025 DRUG__ID DR1025 DR1025 DRUGNAME Mephenytoin DR1025 PUBCMCID 4060 DR1025 TTDRUGID D07RGW DR1025 DFORMULA C12H14N2O2 DR1025 INCHIKEY GMHKMTDVRCWUDX-UHFFFAOYSA-N DR1025 DRUINCHI 1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)14(2)11(16)13-12/h4-8H,3H2,1-2H3,(H,13,16) DR1025 CASMILES CCC1(C(=O)N(C(=O)N1)C)C2=CC=CC=C2 DR1025 CAS__NUM CAS 50-12-4 DR1025 CHEBINUM 6757 DR1025 PUBCMSID 92176; 220439; 4359670; 7847441; 7872066; 8150040; 8152547; 10524271; 11336112; 11361351; 11364388; 11366950; 11369512; 11374646; 11377674; 11462323; 11467136; 11468256; 11486824; 11492908; 11495308; 14773490; 29217682; 29223171; 46508677; 47291207; 47662362; 47959838; 47959839; 48035210; 48185062; 48416216; 49698809; 49703443; 49977224; 49977225; 50111722; 53789258; 56463168; 57322121; 79894519; 85788588; 92126062; 92308878; 92714624; 99302025; 103224438; 103914622; 104305314; 121363733 DR1026 DRUG__ID DR1026 DR1026 DRUGNAME DEA-2250 DR1026 PUBCMCID 8271 DR1026 TTDRUGID D08UMH DR1026 DFORMULA C13H14N2O3 DR1026 INCHIKEY ALARQZQTBTVLJV-UHFFFAOYSA-N DR1026 DRUINCHI 1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18) DR1026 CASMILES CCC1(C(=O)NC(=O)N(C1=O)C)C2=CC=CC=C2 DR1026 CAS__NUM CAS 115-38-8 DR1026 CHEBINUM 6758 DR1026 PUBCMSID 10031; 5093039; 7847765; 7979946; 8147151; 8155794; 10504537; 14749710; 29215275; 29215276; 29226981; 46505197;47833442; 48416217; 49874379; 56459436; 57324893; 76802480; 81093033; 87691917; 88488011; 92714690; 103224015; 104317381; 106801875; 117837484; 125823035; 127422109; 128099894; 134337969; 134974876; 137101290; 137240130; 144205153; 160964190; 164761780; 169763687; 177513116; 179226247; 181851673; 184548424; 226421831; 250086055; 252452819 DR1027 DRUG__ID DR1027 DR1027 DRUGNAME Mepindolol DR1027 PUBCMCID 6917859 DR1027 TTDRUGID D0O5YZ DR1027 DFORMULA C30H46N4O8S DR1027 INCHIKEY PNYFXKOIFMZVQC-UHFFFAOYSA-N DR1027 DRUINCHI 1S/2C15H22N2O2.H2O4S/c2*1-10(2)16-8-12(18)9-19-15-6-4-5-14-13(15)7-11(3)17-14;1-5(2,3)4/h2*4-7,10,12,16-18H,8-9H2,1-3H3;(H2,1,2,3,4) DR1027 CASMILES CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)C)O.CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)C)O.OS(=O)(=O)O DR1027 CAS__NUM CAS 23694-81-7 DR1028 DRUG__ID DR1028 DR1028 DRUGNAME Meprednisone DR1028 PUBCMCID 4063 DR1028 TTDRUGID D0I5DS DR1028 DFORMULA C22H28O5 DR1028 INCHIKEY PIDANAQULIKBQS-UHFFFAOYSA-N DR1028 DRUINCHI 1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-16,19,23,27H,4-5,8,10-11H2,1-3H3 DR1028 CASMILES CC1CC2C3CCC4=CC(=O)C=CC4(C3C(=O)CC2(C1(C(=O)CO)O)C)C DR1028 CAS__NUM CAS 1247-42-3 DR1029 DRUG__ID DR1029 DR1029 DRUGNAME Meprobamate DR1029 PUBCMCID 4064 DR1029 TTDRUGID D0Y4AW DR1029 DFORMULA C9H18N2O4 DR1029 INCHIKEY NPPQSCRMBWNHMW-UHFFFAOYSA-N DR1029 DRUINCHI 1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13) DR1029 CASMILES CCCC(C)(COC(=O)N)COC(=O)N DR1029 CAS__NUM CAS 57-53-4 DR1029 CHEBINUM 6761 DR1029 PUBCMSID 89640; 7366092; 7847442; 7979904; 8152550; 10527934; 14822610; 17389535; 24896728; 29223175; 46508142; 48416220; 48425274; 50021624; 50893943; 57654362; 68530538; 87245066; 103255535; 104305326; 108165187; 117425357; 124890349; 125353471; 126677741; 128736426; 134222669; 134337962; 134338694; 134338822; 134971019; 136949641; 137001618; 142043533; 144204614; 144207530; 144238911; 160963718; 164827462; 175268791; 176254515; 177513105; 178103799; 179225303; 184532185; 198991699; 223674399; 226405717; 249946527; 252403288 DR1030 DRUG__ID DR1030 DR1030 DRUGNAME Mequitazine DR1030 PUBCMCID 4066 DR1030 TTDRUGID D09IMS DR1030 DFORMULA C20H22N2S DR1030 INCHIKEY HOKDBMAJZXIPGC-UHFFFAOYSA-N DR1030 DRUINCHI 1S/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2 DR1030 CASMILES C1CN2CCC1C(C2)CN3C4=CC=CC=C4SC5=CC=CC=C53 DR1030 CAS__NUM CAS 29216-28-2 DR1030 CHEBINUM 31821 DR1030 PUBCMSID 453325; 583144; 7366094; 7848387; 8141047; 8152552; 10320045; 10517343; 11406959; 14850608; 16617285; 26665232; 29223177; 46505779; 48416221; 50006661; 53787706; 56320321; 57322124; 57962172; 78247115; 81093314; 85209426; 87244027; 92714662; 103267575; 103815311; 104305332; 104972177; 117404379; 124799813; 124894252;125347181; 126623962; 126655271; 126669303; 128089981; 131309176; 134338335; 134997033; 137267684; 140724147; 142143428; 144207197; 160964405; 163121882; 164761785; 164814342; 170005238; 170465794 DR1031 DRUG__ID DR1031 DR1031 DRUGNAME Mercaptopurine DR1031 PUBCMCID 667490 DR1031 TTDRUGID D09UZO DR1031 DFORMULA C5H4N4S DR1031 INCHIKEY GLVAUDGFNGKCSF-UHFFFAOYSA-N DR1031 DRUINCHI 1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) DR1031 CASMILES CCC1C(COC1=O)CC2=CN=CN2C.[N+](=O)(O)[O-] DR1031 CAS__NUM CAS 50-44-2 DR1031 CHEBINUM 50667 DR1031 PUBCMSID 4889; 5422; 538245; 602747; 3205553; 4912489; 5334583; 5370645; 6477910; 7366114; 7979906; 8136889; 8148223; 8149413; 9276666; 11335668; 11360907; 11363815; 11364775; 11366377; 11367337; 11368939; 11369899; 11371581; 11372939; 11374631; 11375499; 11377101; 11378064; 11446005; 11446674; 11461879; 11483955;11487876; 11490307; 11492672; 11494735; 14772317; 15321640; 15970891; 16997018; 24882910; 25622685; 26611807; 26679290; 26748122; 26748123; 26748124; 31299583; 31665082 DR1032 DRUG__ID DR1032 DR1032 DRUGNAME Mesalazine DR1032 PUBCMCID 54675840 DR1032 TTDRUGID D0C4YC DR1032 DFORMULA C7H6NO3- DR1032 INCHIKEY KBOPZPXVLCULAV-UHFFFAOYSA-M DR1032 DRUINCHI 1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)/p-1 DR1032 CASMILES C1=CC(=C(C=C1N)C(=O)O)[O-] DR1032 CAS__NUM CAS 89-57-6 DR1032 CHEBINUM 6775 DR1032 PUBCMSID 866366; 4390743; 14709232; 34778794; 49658653; 57356181; 78510117; 104233767; 111935474; 137156496; 137519971; 141829680; 178101371; 223454459; 223485416 DR1033 DRUG__ID DR1033 DR1033 DRUGNAME Mesoridazine DR1033 PUBCMCID 4078 DR1033 TTDRUGID D04AAN DR1033 DFORMULA C21H26N2OS2 DR1033 INCHIKEY SLVMESMUVMCQIY-UHFFFAOYSA-N DR1033 DRUINCHI 1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3 DR1033 CASMILES CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)C DR1033 CAS__NUM CAS 5588-33-0 DR1033 CHEBINUM 6780 DR1033 PUBCMSID 9352; 447728; 614172; 4379956; 7979909; 8140528; 8152557; 10319751; 10527260; 11405940; 11467677; 11486174; 14927472; 17396840; 26756521; 29223187; 46506724; 47440446; 47440447; 47662489; 47885582; 48035319; 48035320; 48416224; 49699103; 50006596; 50111387; 50111388; 50704712; 57322129; 85209561; 85787941; 85788345; 92309158; 96099906; 103301322; 104022598; 104222090; 104305362; 124892406; 125672983; 129255022; 134337566; 134988360; 137248555; 139029518; 144203603; 144205571; 160964272; 163157019 DR1034 DRUG__ID DR1034 DR1034 DRUGNAME Mestranol DR1034 PUBCMCID 6291 DR1034 TTDRUGID D0J1ML DR1034 DFORMULA C21H26O2 DR1034 INCHIKEY IMSSROKUHAOUJS-MJCUULBUSA-N DR1034 DRUINCHI 1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1 DR1034 CASMILES CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC DR1034 CAS__NUM CAS 72-33-3 DR1034 CHEBINUM 6784 DR1034 PUBCMSID 9820; 221722; 3139632; 7847641; 7979911; 8139980; 8153967; 10321875; 11466874; 11467994; 11486488; 12146110; 14870200;24888219; 25621811; 29215140; 29225285; 46386940; 46507679; 47365356; 47662462; 47810914; 48035293; 48413978; 48416225; 48421896; 49698659; 49857464; 50124123; 53788967; 56313760; 56352889; 56422167;78791185; 85787338; 92125797; 92308432; 92712421; 93165651; 103771134; 103914355; 104253458; 104311640; 121363468; 124659052; 124757588; 124799544; 124891600; 125164392; 126630112 DR1036 DRUG__ID DR1036 DR1036 DRUGNAME Metamfetamine DR1036 PUBCMCID 10836 DR1036 TTDRUGID D0P6UB DR1036 DFORMULA C10H15N DR1036 INCHIKEY MYWUZJCMWCOHBA-VIFPVBQESA-N DR1036 DRUINCHI 1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1 DR1036 CASMILES CC(CC1=CC=CC=C1)NC DR1036 CAS__NUM CAS 537-46-2 DR1036 CHEBINUM 6809 DR1036 PUBCMSID 9373; 86393; 841176; 7979916; 8157860; 10318874; 15194699; 29229287; 46508541; 47217054; 47365454; 47515585; 47960002; 50004327; 53789276; 56311093; 56312330; 56313865; 56314133; 56314533; 57288565; 57326508; 76939162; 85239987; 96024877; 104234344; 104324404; 117516537; 128667762; 134337864; 134338686; 134977993; 136963523; 137001219; 142148255; 160964817; 164187274; 175268005; 175269473; 175443906; 178101505; 179252637; 184547219; 223856686; 226427302; 241092821; 250138934; 250231443 DR1037 DRUG__ID DR1037 DR1037 DRUGNAME Metamizole sodium DR1037 PUBCMCID 522325 DR1037 TTDRUGID D06JRD DR1037 DFORMULA C13H16N3NaO4S DR1037 INCHIKEY DJGAAPFSPWAYTJ-UHFFFAOYSA-M DR1037 DRUINCHI 1S/C13H17N3O4S.Na/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;/h4-8H,9H2,1-3H3,(H,18,19,20);/q;+1/p-1 DR1037 CASMILES CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Na+] DR1037 CAS__NUM CAS 68-89-3 DR1037 CHEBINUM 59033 DR1037 PUBCMSID 3141602; 7978471; 8149975; 8671880; 10321896; 11112965; 14924439; 25672721; 26612465; 26680273; 26748775; 26748776; 29225232; 46509035; 48413695; 49857349; 49991316; 53787029; 57288770; 57406347; 79371109; 79371110; 85091098; 88837636; 92124570; 92125891; 92307887; 92741959; 96024880; 99301722; 103588113; 103914375; 109768588; 118047367; 121363562; 124637172; 124882743; 124882744; 125311960; 125329714; 126408303; 126677934; 134339964; 134971374; 137002916; 141701141; 143432632; 143832172; 144204310; 144207695 DR1039 DRUG__ID DR1039 DR1039 DRUGNAME Methadone DR1039 PUBCMCID 22267 DR1039 TTDRUGID D09OJQ DR1039 DFORMULA C21H27NO DR1039 INCHIKEY USSIQXCVUWKGNF-QGZVFWFLSA-N DR1039 DRUINCHI 1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/t17-/m1/s1 DR1039 CASMILES CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2 DR1039 CAS__NUM CAS 76-99-3 DR1039 CHEBINUM 6807 DR1039 PUBCMSID 841133; 8166385; 16828013; 29289580; 47359869; 47510027; 50251534; 57331123; 93167208; 96024811; 103412836; 104355526; 129415111; 131326064; 135650582; 138237674; 141601059; 144239892; 162222373; 175271129; 198945476; 226513694 DR1041 DRUG__ID DR1041 DR1041 DRUGNAME Methamphetamine hydrochloride DR1041 PUBCMCID 66124 DR1041 DFORMULA C10H16ClN DR1041 INCHIKEY TWXDDNPPQUTEOV-FVGYRXGTSA-N DR1041 DRUINCHI 1S/C10H15N.ClH/c1-9(11-2)8-10-6-4-3-5-7-10;/h3-7,9,11H,8H2,1-2H3;1H/t9-;/m0./s1 DR1041 CASMILES CC(CC1=CC=CC=C1)NC.Cl DR1041 CAS__NUM CAS 51-57-0 DR1041 CHEBINUM 35340 DR1042 DRUG__ID DR1042 DR1042 DRUGNAME Methaqualone DR1042 PUBCMCID 63196 DR1042 TTDRUGID D0T7XI DR1042 DFORMULA C16H15ClN2O DR1042 INCHIKEY KJUHIXIWKSVBKB-UHFFFAOYSA-N DR1042 DRUINCHI 1S/C16H14N2O/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19/h3-10H,1-2H3 DR1042 CASMILES CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C.Cl DR1042 CAS__NUM CAS 340-56-7 DR1043 DRUG__ID DR1043 DR1043 DRUGNAME Methionine DR1043 PUBCMCID 6137 DR1043 TTDRUGID D0PO8E DR1043 DFORMULA C5H11NO2S DR1043 INCHIKEY FFEARJCKVFRZRR-BYPYZUCNSA-N DR1043 DRUINCHI 1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 DR1043 CASMILES CSCCC(C(=O)O)N DR1043 CAS__NUM CAS 63-68-3 DR1043 CHEBINUM 16643 DR1043 PUBCMSID 3373; 584216; 584218; 584908; 820501; 822833; 829149; 829365; 829494; 830509; 831183; 831935; 836933; 838795; 840774; 841586; 6436231; 7847087; 7888883; 8144963; 8153848; 10317509; 10531327; 11528400; 11538848; 14710667; 14772273; 24424513; 24883259; 24896818; 24897258; 24897343; 26746545; 26750484; 29216310; 29225140; 46392872; 46393022; 46393499; 46505750; 49747977; 53790591; 56269966; 56311398; 57244615; 57323215; 57580977; 57651979; 57654418; 74993309 DR1045 DRUG__ID DR1045 DR1045 DRUGNAME Methotrexate DR1045 PUBCMCID 126941 DR1045 TTDRUGID D0SV8E DR1045 DFORMULA C20H22N8O5 DR1045 INCHIKEY FBOZXECLQNJBKD-ZDUSSCGKSA-N DR1045 DRUINCHI 1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 DR1045 CASMILES CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O DR1045 CAS__NUM CAS 59-05-2 DR1045 CHEBINUM 44185 DR1047 DRUG__ID DR1047 DR1047 DRUGNAME Methoxsalen DR1047 PUBCMCID 4114 DR1047 TTDRUGID D08SKH DR1047 DFORMULA C12H8O4 DR1047 INCHIKEY QXKHYNVANLEOEG-UHFFFAOYSA-N DR1047 DRUINCHI 1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3 DR1047 CASMILES COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2 DR1047 CAS__NUM CAS 298-81-7 DR1047 CHEBINUM 18358 DR1047 PUBCMSID 4978; 99459; 597343; 2465957; 3139055; 3496877; 4255217; 7666801; 7847207; 7884115; 7885536; 7979935; 8025195;8138256; 8145159; 8149421; 8152581; 10321621; 10517620; 11112313; 11335938; 11361177; 11363917; 11366479; 11369041; 11371597; 11373682; 11377203; 11408476; 11462149; 11466507; 11467627; 11484740; 11486293; 11488868; 11490315; 11491867; 11494837; 11534753; 14822550; 17389831; 24896845; 26611816; 26679584; 26747188; 26747189; 26752292; 29204678; 29223222; 46506275 DR1048 DRUG__ID DR1048 DR1048 DRUGNAME Methoxyflurane DR1048 PUBCMCID 4116 DR1048 TTDRUGID D07SOO DR1048 DFORMULA C3H4Cl2F2O DR1048 INCHIKEY RFKMCNOHBTXSMU-UHFFFAOYSA-N DR1048 DRUINCHI 1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3 DR1048 CASMILES COC(C(Cl)Cl)(F)F DR1048 CAS__NUM CAS 76-38-0 DR1048 CHEBINUM 6843 DR1048 PUBCMSID 9720; 409141; 3219845; 7666803; 7847610; 8152583; 10535151; 12055768; 14772496; 29223224; 46508879; 48423662; 49855814; 50113268; 50702824; 57309755; 57322151; 103427852; 104305473; 117484889; 117650907; 118838651; 125374192; 129121548; 131498568; 132511622; 134337971; 134971540; 135586124; 136987072; 137004982; 143456706; 143799541; 144206179; 160964363; 162765240; 163788948; 164812131; 176318772; 178103808; 179225909; 184554813; 187072658; 198981352; 202542063; 204417825; 223439742; 226492719; 241138142; 249944760 DR1049 DRUG__ID DR1049 DR1049 DRUGNAME Methoxyphenamine DR1049 PUBCMCID 4117 DR1049 DFORMULA C11H17NO DR1049 INCHIKEY OEHAYUOVELTAPG-UHFFFAOYSA-N DR1049 DRUINCHI 1S/C11H17NO/c1-9(12-2)8-10-6-4-5-7-11(10)13-3/h4-7,9,12H,8H2,1-3H3 DR1049 CASMILES CC(CC1=CC=CC=C1OC)NC DR1049 CAS__NUM CAS 93-30-1 DR1049 CHEBINUM 134817 DR1050 DRUG__ID DR1050 DR1050 DRUGNAME Methsuximide DR1050 PUBCMCID 6476 DR1050 TTDRUGID D08EOD DR1050 DFORMULA C12H13NO2 DR1050 INCHIKEY AJXPJJZHWIXJCJ-UHFFFAOYSA-N DR1050 DRUINCHI 1S/C12H13NO2/c1-12(9-6-4-3-5-7-9)8-10(14)13(2)11(12)15/h3-7H,8H2,1-2H3 DR1050 CASMILES CC1(CC(=O)N(C1=O)C)C2=CC=CC=C2 DR1050 CAS__NUM CAS 77-41-8 DR1050 CHEBINUM 6846 DR1050 PUBCMSID 7784245; 7847470; 7979936; 8154134; 10535562; 15171756; 29225451; 46505339; 48416252; 50048511; 57323472; 80615582; 92714623; 103193143; 104312168; 117476298; 121362356; 124899410; 126408324; 126629476; 126678061; 127417438; 134221929; 134338490; 134972484; 140288923; 144076268; 144207162; 144224652; 152101592; 160967839; 163118037; 164762136; 164762137; 175611120; 177513111; 178103802; 179225910; 204425454; 223366887; 223681174; 226421231; 241142344; 249582230; 249991606 DR1051 DRUG__ID DR1051 DR1051 DRUGNAME Methyldopa DR1051 PUBCMCID 38853 DR1051 TTDRUGID D0BA6T DR1051 DFORMULA C10H13NO4 DR1051 INCHIKEY CJCSPKMFHVPWAR-JTQLQIEISA-N DR1051 DRUINCHI 1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/m0/s1 DR1051 CASMILES CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N DR1051 CAS__NUM CAS 555-30-6 DR1051 CHEBINUM 61058 DR1051 PUBCMSID 9403; 597355; 7979942; 8139902; 8149423; 8175761; 10321684; 11113581; 11335317; 11360556; 11363831; 11366393; 11368955; 11371621; 11373686; 11377117; 11461528; 11466354; 11467474; 11484792; 11485988; 11488884; 11490317; 11491869; 11494751; 14748911; 17405414; 26611818; 26679555; 34704829; 46508535; 47290999; 47440113; 47736324; 47736325; 47810607; 48034965; 48110315; 48184859; 48416254; 48423673; 49698436; 49854436; 50104474; 50104475; 50104476; 50104477; 50970645; 53777959; 53790662 DR1052 DRUG__ID DR1052 DR1052 DRUGNAME Methylergometrine DR1052 PUBCMCID 8226 DR1052 TTDRUGID D05AHE DR1052 DFORMULA C20H25N3O2 DR1052 INCHIKEY UNBRKDKAWYKMIV-QWQRMKEZSA-N DR1052 DRUINCHI 1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1 DR1052 CASMILES CCC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C DR1052 CAS__NUM CAS 113-42-8 DR1052 CHEBINUM 92607 DR1052 PUBCMSID 7979943; 8155761; 11335532; 11360771; 11363157; 11365719; 11368281; 11371623; 11376443; 11461743; 11484282; 11488429; 11490318; 11494077; 14777917; 26751766; 29226945; 46507746; 47216702; 47515240; 47588916; 47662201; 47885332; 47885333; 48110372; 48184922; 48334408; 48416242; 49699341; 49965412; 50104453; 57324864; 75350935; 85788317; 85789357; 90341291; 92729787; 96024895; 104171343; 104317266; 123085521; 123109975; 124750004; 124882912; 124882913; 127346532; 127346533; 134338249; 134973870; 135650591 DR1054 DRUG__ID DR1054 DR1054 DRUGNAME Methylphenidate DR1054 PUBCMCID 4158 DR1054 TTDRUGID D02PPN DR1054 DFORMULA C14H19NO2 DR1054 INCHIKEY DUGOZIWVEXMGBE-UHFFFAOYSA-N DR1054 DRUINCHI 1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3 DR1054 CASMILES COC(=O)C(C1CCCCN1)C2=CC=CC=C2 DR1054 CAS__NUM CAS 113-45-1 DR1054 CHEBINUM 6887 DR1054 PUBCMSID 9405; 5336253; 7979945; 8152600; 10504398; 14798219; 26746622; 29223265; 46505929; 47206727; 48416258; 49854760; 53789341; 57322165; 78286794; 85209963; 103209574; 103858000; 103958410; 104305599; 124954808; 127787857; 134337354; 134974024; 135709935; 136897384; 137007933; 142361369; 160963768; 163411030; 178103810; 179148478; 216106193; 223897828; 226423048; 249807024; 249948308; 252404612 DR1056 DRUG__ID DR1056 DR1056 DRUGNAME Methylprednisolone DR1056 PUBCMCID 6741 DR1056 TTDRUGID D08PIQ DR1056 DFORMULA C22H30O5 DR1056 INCHIKEY VHRSUDSXCMQTMA-PJHHCJLFSA-N DR1056 DRUINCHI 1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1 DR1056 CASMILES CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O DR1056 CAS__NUM CAS 83-43-2 DR1056 CHEBINUM 6888 DR1056 PUBCMSID 82706; 811679; 855789; 7847473; 7979947; 8154374; 10321588; 11406050; 11466307; 11467427; 11486113; 12159225; 14779784; 14853277; 24870169; 24896564; 29225690; 46504885; 47440566; 47589248; 48259526; 48334797; 48416259; 49698417; 50019481; 50104073; 50139236; 50796061; 53790220; 56311264; 56311302; 56311303; 56311483; 56312634; 56313960; 56313963; 56314026; 56314034; 56424125; 57323679; 57650805; 81093211; 85300841; 85788445; 87560014; 92125124; 92309029; 93576705; 103189214; 103914078 DR1064 DRUG__ID DR1064 DR1064 DRUGNAME Methyltestosterone DR1064 PUBCMCID 6010 DR1064 TTDRUGID D0Z1XD DR1064 DFORMULA C20H30O2 DR1064 INCHIKEY GCKMFJBGXUYNAG-HLXURNFRSA-N DR1064 DRUINCHI 1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1 DR1064 CASMILES CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C)O)C DR1064 CAS__NUM CAS 58-18-4 DR1064 CHEBINUM 27436 DR1064 PUBCMSID 9407; 75080; 426178; 3139523; 7847474; 8153739; 12146104; 14776222; 14800583; 17388912; 24702281; 24870181; 24885900; 24885901; 24897147; 26719668; 29215107; 29225024; 46386739; 48425302; 49833618; 49869469; 50872805; 53790628; 56313568; 56463771; 57323112; 57650811; 57652183; 57652184; 91696883; 92308244; 99375903; 99443262; 103469610; 104253304; 104310860; 124403622; 124658874; 124757424; 124813316; 124890309; 125164228; 125309689; 126687249; 127933854; 134971513; 135262193; 137004245; 141744303 DR1065 DRUG__ID DR1065 DR1065 DRUGNAME Methyprylon DR1065 PUBCMCID 4162 DR1065 TTDRUGID D05OQJ DR1065 DFORMULA C10H17NO2 DR1065 INCHIKEY SIDLZWOQUZRBRU-UHFFFAOYSA-N DR1065 DRUINCHI 1S/C10H17NO2/c1-4-10(5-2)8(12)7(3)6-11-9(10)13/h7H,4-6H2,1-3H3,(H,11,13) DR1065 CASMILES CCC1(C(=O)C(CNC1=O)C)CC DR1065 CAS__NUM CAS 125-64-4 DR1065 CHEBINUM 31837 DR1065 PUBCMSID 89654; 5336447; 7848213; 8152604; 10506099; 15195213; 29223268; 46506891; 48416265; 50016188; 51047044; 57322168; 103770773; 104305608; 129239503; 132522176; 134337972; 134973035; 137089235; 137260976; 160964441; 178103812; 179225913; 226520013; 250037516 DR1066 DRUG__ID DR1066 DR1066 DRUGNAME Metipranolol DR1066 PUBCMCID 31477 DR1066 TTDRUGID D0L5FY DR1066 DFORMULA C17H27NO4 DR1066 INCHIKEY BQIPXWYNLPYNHW-UHFFFAOYSA-N DR1066 DRUINCHI 1S/C17H27NO4/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4/h7,10,15,18,20H,8-9H2,1-6H3 DR1066 CASMILES CC1=CC(=C(C(=C1OC(=O)C)C)C)OCC(CNC(C)C)O DR1066 CAS__NUM CAS 22664-55-7 DR1066 CHEBINUM 6897 DR1066 PUBCMSID 10117; 6091362; 7849433; 7979966; 8172196; 14923317; 29215465; 29215466; 34673602; 46505935; 50023321; 50281609; 53789605; 57311237; 85209951; 103400859; 104310958; 117554330; 118200154; 127552988; 134337773; 134994195; 135610082; 137164582; 141191904; 143311431; 144205272; 152135018; 160843914; 160964547; 165396045; 178103813; 179150187; 184547567; 184547842; 226412703; 250133630 DR1068 DRUG__ID DR1068 DR1068 DRUGNAME Metoclopramide hydrochloride DR1068 PUBCMCID 23659 DR1068 TTDRUGID D08VYV DR1068 DFORMULA C14H23Cl2N3O2 DR1068 INCHIKEY RVFUNJWWXKCWNS-UHFFFAOYSA-N DR1068 DRUINCHI 1S/C14H22ClN3O2.ClH/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3;/h8-9H,4-7,16H2,1-3H3,(H,17,19);1H DR1068 CASMILES CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl.Cl DR1068 CAS__NUM CAS 7232-21-5 DR1071 DRUG__ID DR1071 DR1071 DRUGNAME Metoprolol succinate DR1071 PUBCMCID 62937 DR1071 TTDRUGID D0I2MK DR1071 DFORMULA C34H56N2O10 DR1071 INCHIKEY RGHAZVBIOOEVQX-UHFFFAOYSA-N DR1071 DRUINCHI 1S/2C15H25NO3.C4H6O4/c2*1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-3(6)1-2-4(7)8/h2*4-7,12,14,16-17H,8-11H2,1-3H3;1-2H2,(H,5,6)(H,7,8) DR1071 CASMILES CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.C(CC(=O)O)C(=O)O DR1071 CAS__NUM CAS 98418-47-4 DR1071 CHEBINUM 6905 DR1072 DRUG__ID DR1072 DR1072 DRUGNAME Metoprolol tartrate DR1072 PUBCMCID 441308 DR1072 TTDRUGID D0I2MK DR1072 DFORMULA C34H56N2O12 DR1072 INCHIKEY YGULWPYYGQCFMP-CEAXSRTFSA-N DR1072 DRUINCHI 1S/2C15H25NO3.C4H6O6/c2*1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-1(3(7)8)2(6)4(9)10/h2*4-7,12,14,16-17H,8-11H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1 DR1072 CASMILES CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.C(C(C(=O)O)O)(C(=O)O)O DR1072 CAS__NUM CAS 56392-17-7 DR1072 CHEBINUM 6906 DR1073 DRUG__ID DR1073 DR1073 DRUGNAME Metronidazole DR1073 PUBCMCID 4173 DR1073 TTDRUGID D0A2ZX DR1073 DFORMULA C6H9N3O3 DR1073 INCHIKEY VAOCPAMSLUNLGC-UHFFFAOYSA-N DR1073 DRUINCHI 1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3 DR1073 CASMILES CC1=NC=C(N1CCO)[N+](=O)[O-] DR1073 CAS__NUM CAS 443-48-1 DR1073 CHEBINUM 6909 DR1073 PUBCMSID 9412; 102189; 113379; 603052; 855672; 929590; 3138895; 4904671; 7481998; 7735852; 7847475; 7885193; 7979979; 8149429; 8152613; 10321393; 10523004; 10590514; 11112343; 11335182; 11360421; 11363929; 11366491; 11369053; 11371631; 11373698; 11377215; 11380270; 11447858; 11461393; 11466109; 11467229; 11484402; 11485677; 11488699; 11490322; 11491875; 11494849; 14748179; 17389815; 24870198; 24896667; 24896871; 24897314; 26611824; 26679371; 26683761; 26719631; 26746949; 26746950 DR1077 DRUG__ID DR1077 DR1077 DRUGNAME Mexazolam DR1077 PUBCMCID 4177 DR1077 DFORMULA C18H16Cl2N2O2 DR1077 INCHIKEY ANUCDXCTICZJRH-UHFFFAOYSA-N DR1077 DRUINCHI 1S/C18H16Cl2N2O2/c1-11-10-24-18(13-4-2-3-5-15(13)20)14-8-12(19)6-7-16(14)21-17(23)9-22(11)18/h2-8,11H,9-10H2,1H3,(H,21,23) DR1077 CASMILES CC1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl DR1077 CAS__NUM CAS 31868-18-5 DR1077 CHEBINUM 31842 DR1079 DRUG__ID DR1079 DR1079 DRUGNAME Mexiletine hydrochloride DR1079 PUBCMCID 21467 DR1079 TTDRUGID D0X0RI DR1079 DFORMULA C11H18ClNO DR1079 INCHIKEY NFEIBWMZVIVJLQ-UHFFFAOYSA-N DR1079 DRUINCHI 1S/C11H17NO.ClH/c1-8-5-4-6-9(2)11(8)13-7-10(3)12;/h4-6,10H,7,12H2,1-3H3;1H DR1079 CASMILES CC1=C(C(=CC=C1)C)OCC(C)N.Cl DR1079 CAS__NUM CAS 5370-01-4 DR1079 CHEBINUM 6917 DR1080 DRUG__ID DR1080 DR1080 DRUGNAME Mianserin DR1080 PUBCMCID 4184 DR1080 TTDRUGID D0R6RO DR1080 DFORMULA C18H20N2 DR1080 INCHIKEY UEQUQVLFIPOEMF-UHFFFAOYSA-N DR1080 DRUINCHI 1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3 DR1080 CASMILES CN1CCN2C(C1)C3=CC=CC=C3CC4=CC=CC=C42 DR1080 CAS__NUM CAS 24219-97-4 DR1080 CHEBINUM 51137 DR1080 PUBCMSID 5025442; 7979983; 8152618; 11336019; 11361258; 11364714; 11367276; 11369838; 11373110; 11374958; 11378002; 11462230; 11466127; 11467247; 11484722; 11485733; 11489019; 11491651; 11493074; 11495624; 14848151; 26752015; 29223290; 46508096; 47291183; 47365243; 47440310; 47515362; 47515363; 47589044; 47736534; 47810801; 47885463; 48035179; 48110499; 48110500; 48334548; 48416276; 49698341; 49962249; 50104682; 56464297; 57322182; 74414799; 85209455; 85787314; 85787904; 90341017; 92308680; 92719300 DR1082 DRUG__ID DR1082 DR1082 DRUGNAME Mibefradil DR1082 PUBCMCID 60663 DR1082 TTDRUGID D0W8XT DR1082 DFORMULA C29H38FN3O3 DR1082 INCHIKEY HBNPJJILLOYFJU-VMPREFPWSA-N DR1082 DRUINCHI 1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1 DR1082 CASMILES CC(C)C1C2=C(CCC1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)COC)C=C(C=C2)F DR1082 CAS__NUM CAS 116644-53-2 DR1082 CHEBINUM 6920 DR1082 PUBCMSID 9431; 7979984; 8186987; 11111472; 14933121; 14933122; 26755047; 43118024; 46504498; 47276715; 48416277; 50064211; 50110875; 51068792; 53788328; 53801058; 57314055; 85788182; 90340964; 96024905; 103229908; 104011327; 104321323; 117509413; 124749965; 128037075; 134338995; 135047604; 137006402; 142794297; 160964663; 163620961; 163686283; 176250376; 179149650; 185998774; 198963086; 215784885; 223440331; 223554765; 225039582; 226424915; 242060284; 250133489; 251971143; 252479748; 252655656 DR1083 DRUG__ID DR1083 DR1083 DRUGNAME Micafungin DR1083 PUBCMCID 477468 DR1083 TTDRUGID D06TOE DR1083 DFORMULA C56H71N9O23S DR1083 INCHIKEY PIEUQSKUWLMALL-YABMTYFHSA-N DR1083 DRUINCHI 1S/C56H71N9O23S/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1 DR1083 CASMILES CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)NC4CC(C(NC(=O)C5C(C(CN5C(=O)C(NC(=O)C(NC(=O)C6CC(CN6C(=O)C(NC4=O)C(C)O)O)C(C(C7=CC(=C(C=C7)O)OS(=O)(=O)O)O)O)C(CC(=O)N)O)C)O)O)O DR1083 CAS__NUM CAS 235114-32-6 DR1083 CHEBINUM 600520 DR1084 DRUG__ID DR1084 DR1084 DRUGNAME Miconazole DR1084 PUBCMCID 4189 DR1084 TTDRUGID D00AXJ DR1084 DFORMULA C18H14Cl4N2O DR1084 INCHIKEY BYBLEWFAAKGYCD-UHFFFAOYSA-N DR1084 DRUINCHI 1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2 DR1084 CASMILES C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl DR1084 CAS__NUM CAS 22916-47-8 DR1084 CHEBINUM 6923 DR1084 PUBCMSID 443253; 602748; 853814; 5025447; 7847482; 7979986; 8152620; 10321394; 10514422; 11112680; 11335331; 11360570; 11363859; 11366421; 11368983; 11371633; 11373720; 11377145; 11405748; 11405775; 11461542; 11466095; 11467215; 11484712; 11485910; 11488864; 11490323; 11491876; 11494779; 14806704; 25710691; 29223294; 46506017; 47365044; 47588856; 47736333; 47810615; 47885276; 48034973; 48259081; 48259082; 48416278; 49698872; 49979412; 53789980; 53801024; 56310764; 56311695; 56312816; 56313686 DR1086 DRUG__ID DR1086 DR1086 DRUGNAME Midazolam hydrochloride DR1086 PUBCMCID 43032 DR1086 TTDRUGID D0U6LM DR1086 DFORMULA C18H14Cl2FN3 DR1086 INCHIKEY PLYSCVSCYOQVRP-UHFFFAOYSA-N DR1086 DRUINCHI 1S/C18H13ClFN3.ClH/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13;/h2-9H,10H2,1H3;1H DR1086 CASMILES CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F.Cl DR1086 CAS__NUM CAS 59467-96-8 DR1086 CHEBINUM 6932 DR1088 DRUG__ID DR1088 DR1088 DRUGNAME Midodrine DR1088 PUBCMCID 4195 DR1088 TTDRUGID D02XJY DR1088 DFORMULA C12H18N2O4 DR1088 INCHIKEY PTKSEFOSCHHMPD-UHFFFAOYSA-N DR1088 DRUINCHI 1S/C12H18N2O4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16) DR1088 CASMILES COC1=CC(=C(C=C1)OC)C(CNC(=O)CN)O DR1088 CAS__NUM CAS 133163-28-7 DR1088 CHEBINUM 6933 DR1088 PUBCMSID 10092; 7433691; 8152622; 11336130; 11361369; 11364535; 11367097; 11369659; 11372749; 11373902; 11377821; 11462341;11466219; 11467339; 11485126; 11485798; 11489361; 11491400; 11492007; 11495455; 14847816; 29223300; 46507373; 47365278; 47365279; 47662374; 47736573; 47810835; 48035214; 48259327; 48416280; 49698958;50064787; 50122851; 50122852; 50949507; 56464179; 57322186; 85788446; 96024908; 104305704; 124963568; 125684389; 128965708; 134222029; 134337543; 135002277; 137240087; 137248546; 142173049 DR1089 DRUG__ID DR1089 DR1089 DRUGNAME CCRIS-9277 DR1089 PUBCMCID 1615 DR1089 TTDRUGID D0F5NJ DR1089 DFORMULA C11H15NO2 DR1089 INCHIKEY SHXWCVYOXRDMCX-UHFFFAOYSA-N DR1089 DRUINCHI 1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3 DR1089 CASMILES CC(CC1=CC2=C(C=C1)OCO2)NC DR1089 CAS__NUM CAS 42542-10-9 DR1089 CHEBINUM 1391 DR1090 DRUG__ID DR1090 DR1090 DRUGNAME Midostaurin DR1090 PUBCMCID 9829523 DR1090 TTDRUGID D07NVU DR1090 DFORMULA C35H30N4O4 DR1090 INCHIKEY BMGQWWVMWDBQGC-IIFHNQTCSA-N DR1090 DRUINCHI 1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1 DR1090 CASMILES CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC DR1090 CAS__NUM CAS 120685-11-2 DR1090 CHEBINUM 63452 DR1090 PUBCMSID 14788708; 14935507; 22395186; 44927646; 47206756; 53786846; 57373453; 79311635; 99302777; 103734272; 123105168; 124659175; 124950161; 134348392; 135061643; 135610396; 137241200; 143298037; 172918683; 174006478; 177748492; 178102329; 179149698; 184812273; 198965438; 210274665; 210280297; 223656331; 233822082; 241376205; 248897758; 249617730; 252156932 DR1091 DRUG__ID DR1091 DR1091 DRUGNAME Mifepristone DR1091 PUBCMCID 55245 DR1091 TTDRUGID D0Z4EI DR1091 DFORMULA C29H35NO2 DR1091 INCHIKEY VKHAHZOOUSRJNA-GCNJZUOMSA-N DR1091 DRUINCHI 1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1 DR1091 CASMILES CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O DR1091 CAS__NUM CAS 84371-65-3 DR1091 CHEBINUM 50692 DR1091 PUBCMSID 9854; 610895; 827617; 7847651; 7885329; 7979988; 8184037; 10321543; 11466327; 11467447; 11486193; 11533034; 12013919;12146248; 14758749; 14905326; 17405362; 24278572; 26752199; 26759172; 34719152; 46386955; 46505795; 46518693; 47573358; 47720589; 47795017; 47795018; 48018884; 48318385; 48393908; 48416281; 49698423;49835339; 49965772; 50124354; 50576278; 53777907; 53788556; 56312231; 56313355; 56313657; 56313765; 56352854; 56424093; 57313727; 85752924; 85789352; 90341299; 92125204 DR1092 DRUG__ID DR1092 DR1092 DRUGNAME Miltefosine DR1092 PUBCMCID 3599 DR1092 TTDRUGID D00FGR DR1092 DFORMULA C21H46NO4P DR1092 INCHIKEY PQLXHQMOHUQAKB-UHFFFAOYSA-N DR1092 DRUINCHI 1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3 DR1092 CASMILES CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C DR1092 CAS__NUM CAS 58066-85-6 DR1092 CHEBINUM 75283 DR1092 PUBCMSID 226520; 484338; 4562729; 8137426; 8152270; 12014266; 14781695; 17396669; 26612907; 26680623; 26749044; 26749045; 26759174;29222725; 49747674; 49748182; 49966181; 50107510; 53788176; 53800667; 57321887; 75270305; 91010630; 92124640; 92308871; 93620194; 103186893; 103942430; 104303974; 118846353; 124633439; 124633952; 124637845; 125334625; 126592939; 126645243; 126664051; 131319651; 134339527; 134358597; 135030585; 136946455; 137106670; 139786526; 144075829; 144116216; 144205019; 152054305; 162009789; 162173181 DR1093 DRUG__ID DR1093 DR1093 DRUGNAME Minaprine DR1093 PUBCMCID 4199 DR1093 TTDRUGID D0W8SJ DR1093 DFORMULA C17H22N4O DR1093 INCHIKEY LDMWSLGGVTVJPG-UHFFFAOYSA-N DR1093 DRUINCHI 1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20) DR1093 CASMILES CC1=CC(=NN=C1NCCN2CCOCC2)C3=CC=CC=C3 DR1093 CAS__NUM CAS 25905-77-5 DR1093 CHEBINUM 51038 DR1093 PUBCMSID 7433695; 8152626; 11112706; 11335238; 11360477; 11364228; 11366790; 11369352; 11372508; 11373855; 11377514; 11461449; 11466094; 11467214; 11485190; 11485908; 11489223; 11491260; 11492233; 11495148; 14751646; 24896803; 29223304; 46505380; 47206766; 47216618; 47290970; 47440078; 47588828; 47662107; 47959567; 47959568; 49698916; 49993893; 50100510; 56394929; 57322189; 57654369; 61212480; 77581144; 85209879; 85787830; 103140727; 103194634; 103967506; 104024299; 104305716; 117523812; 124599829; 124882544 DR1095 DRUG__ID DR1095 DR1095 DRUGNAME Minoxidil DR1095 PUBCMCID 4201 DR1095 TTDRUGID D0Y2CJ DR1095 DFORMULA C9H15N5O DR1095 INCHIKEY ZIMGGGWCDYVHOY-UHFFFAOYSA-N DR1095 DRUINCHI 1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12) DR1095 CASMILES C1CCN(CC1)C2=NC(=N)N(C(=C2)N)O DR1095 CAS__NUM CAS 38304-91-5 DR1095 CHEBINUM 6942 DR1095 PUBCMSID 855572; 4428325; 6790804; 7847484; 7980000; 8149432; 8152627; 10321504; 11111457; 11111458; 11113580; 11119965; 11120453; 11120941; 11121450; 11121930; 11147048; 11335335; 11360574; 11362519; 11363863; 11365081; 11366425; 11367643; 11368987; 11370309; 11370310; 11371637; 11373244; 11373724; 11375805; 11377149; 11461546; 11466048; 11467168; 11484742; 11485716; 11488869; 11490325; 11491878; 11494783; 12013813; 12016118; 14797675; 15121148; 17405347; 24715035; 26512261; 26611827; 26679549 DR1096 DRUG__ID DR1096 DR1096 DRUGNAME Miocamycin DR1096 PUBCMCID 5282188 DR1096 DFORMULA C45H71NO17 DR1096 INCHIKEY GQNZGCARKRHPOH-RQIKCTSVSA-N DR1096 DRUINCHI 1S/C45H71NO17/c1-13-34(50)59-33-23-36(52)55-26(4)18-16-15-17-19-32(58-29(7)48)25(3)22-31(20-21-47)41(42(33)54-12)62-44-39(53)38(46(10)11)40(27(5)57-44)61-37-24-45(9,63-30(8)49)43(28(6)56-37)60-35(51)14-2/h15-17,19,21,25-28,31-33,37-44,53H,13-14,18,20,22-24H2,1-12H3/b16-15+,19-17+/t25-,26-,27-,28+,31+,32+,33-,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1 DR1096 CASMILES CCC(=O)OC1CC(=O)OC(CC=CC=CC(C(CC(C(C1OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC)(C)OC(=O)C)N(C)C)O)CC=O)C)OC(=O)C)C DR1096 CAS__NUM CAS 55881-07-7 DR1097 DRUG__ID DR1097 DR1097 DRUGNAME Mirabegron DR1097 PUBCMCID 9865528 DR1097 TTDRUGID D0X5UN DR1097 DFORMULA C21H24N4O2S DR1097 INCHIKEY PBAPPPCECJKMCM-IBGZPJMESA-N DR1097 DRUINCHI 1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)/t19-/m0/s1 DR1097 CASMILES C1=CC=C(C=C1)C(CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O DR1097 CAS__NUM CAS 223673-61-8 DR1097 CHEBINUM 65349 DR1097 PUBCMSID 14830284; 15100038; 24157536; 45287794; 80776075; 96026215; 104179241; 131305973; 135262850; 135264045; 137204503; 141480260; 152258601; 160644771; 160647435; 160708387; 164178021; 164230555; 164763064; 172914174; 175267526; 175427137; 178104017; 186007037; 187072486; 188932513; 218903013; 223541479; 223664787; 223701034; 223917501; 227170942; 242060285; 248359277; 249867219; 251963956; 251971077; 252160992; 252227885; 252448538; 252553766 DR1098 DRUG__ID DR1098 DR1098 DRUGNAME Mirtazapine DR1098 PUBCMCID 4205 DR1098 TTDRUGID D05ZIK DR1098 DFORMULA C17H19N3 DR1098 INCHIKEY RONZAEMNMFQXRA-UHFFFAOYSA-N DR1098 DRUINCHI 1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3 DR1098 CASMILES CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4 DR1098 CAS__NUM CAS 61337-67-5 DR1098 CHEBINUM 6950 DR1098 PUBCMSID 9773; 4428328; 7847629; 7980003; 8152628; 10529734; 11114267; 11528962; 12013213; 14848184; 24724531; 26719854; 29215050; 29223310; 46386716; 46506965; 47434367; 47805076; 48416284; 49648465; 50028668; 56394976; 57309590; 57322193; 75519307; 85171706; 85174353; 85209954; 85787312; 92308611; 92714279; 103189247; 103857961; 104009532; 104305734; 117479056; 117843324; 124659131; 124800561; 125307817; 125324640; 125354423; 125433799; 126624260; 126655527; 126664368; 126683824; 129159156; 131377006; 131813308 DR1100 DRUG__ID DR1100 DR1100 DRUGNAME KAD-1229 DR1100 PUBCMCID 121891 DR1100 TTDRUGID D0P2YU DR1100 DFORMULA C19H25NO3 DR1100 INCHIKEY WPGGHFDDFPHPOB-BBWFWOEESA-N DR1100 DRUINCHI 1S/C19H25NO3/c21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2,(H,22,23)/t15-,16+,17-/m0/s1 DR1100 CASMILES C1CCC2CN(CC2C1)C(=O)CC(CC3=CC=CC=C3)C(=O)O DR1100 CAS__NUM CAS 145375-43-5 DR1100 CHEBINUM 135349 DR1100 PUBCMSID 14923600; 14923601; 23920047; 29302386; 49831004; 50245159; 57339829; 92719299; 103587862; 104179015; 104414523; 126628276; 129614266; 135133781; 137005782; 140502366; 143496772; 152234170; 180372013; 198946246; 223573676; 224246809; 226432923; 252359550; 252671987 DR1101 DRUG__ID DR1101 DR1101 DRUGNAME Glinsuna DR1101 PUBCMCID 6918235 DR1101 TTDRUGID D0P2YU DR1101 DFORMULA C38H52CaN2O8 DR1101 INCHIKEY QEVLNUAVAONTEW-UZYHXJQGSA-L DR1101 DRUINCHI 1S/2C19H25NO3.Ca.2H2O/c2*21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14;;;/h2*1-3,6-7,15-17H,4-5,8-13H2,(H,22,23);;2*1H2/q;;+2;;/p-2/t2*15-,16+,17-;;;/m00.../s1 DR1101 CASMILES C1CCC2CN(CC2C1)C(=O)CC(CC3=CC=CC=C3)C(=O)[O-].C1CCC2CN(CC2C1)C(=O)CC(CC3=CC=CC=C3)C(=O)[O-].O.O.[Ca+2] DR1101 CAS__NUM CAS 207844-01-7 DR1102 DRUG__ID DR1102 DR1102 DRUGNAME Mitoxantrone DR1102 PUBCMCID 4212 DR1102 TTDRUGID D0R3JB DR1102 DFORMULA C22H28N4O6 DR1102 INCHIKEY KKZJGLLVHKMTCM-UHFFFAOYSA-N DR1102 DRUINCHI 1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2 DR1102 CASMILES C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO DR1102 CAS__NUM CAS 65271-80-9 DR1102 CHEBINUM 50729 DR1102 PUBCMSID 13376; 142727; 600874; 4873554; 7980008; 8152633; 11111482; 11111483; 11335691; 11360930; 11364549; 11367111; 11369673; 11372759; 11374669; 11377835; 11406669; 11406928; 11461902; 11466413; 11467533; 11484492; 11486226; 11488724; 11491405; 11492681; 11495469; 14710338; 14857298; 15047380; 17417295; 24769895; 29223317; 46394146; 46504608; 47216744; 47365147; 47440212; 47440213; 47515285; 47662243; 47736437; 48035072; 48035073; 48184960; 49698959; 49870599; 50111146; 53790842; 56352855 DR1103 DRUG__ID DR1103 DR1103 DRUGNAME RO-111163 DR1103 PUBCMCID 4235 DR1103 TTDRUGID D01ZSO DR1103 DFORMULA C13H17ClN2O2 DR1103 INCHIKEY YHXISWVBGDMDLQ-UHFFFAOYSA-N DR1103 DRUINCHI 1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17) DR1103 CASMILES C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl DR1103 CAS__NUM CAS 71320-77-9 DR1103 CHEBINUM 83531 DR1103 PUBCMSID 846440; 4062293; 5184042; 8068729; 8152641; 10533635; 11193610; 12013032; 14750467; 17396732; 17441560; 26719626; 29223337; 46386631; 46504667; 46515904; 47365299; 47810845; 49876116; 50086440; 50105006; 50105007; 56311511; 57309677; 57322203; 57863431; 61117370; 76136224; 90340853; 92308246; 92711700; 103292864; 104171398;104305815; 107817388; 117456677; 118397494; 121361553; 121363082; 124658882; 124800028; 125312350; 125356616; 126592938; 126630605; 126657143; 126684844; 129798217; 131324504; 131333978 DR1104 DRUG__ID DR1104 DR1104 DRUGNAME Modafinil DR1104 PUBCMCID 4236 DR1104 TTDRUGID D07HQC DR1104 DFORMULA C15H15NO2S DR1104 INCHIKEY YFGHCGITMMYXAQ-UHFFFAOYSA-N DR1104 DRUINCHI 1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17) DR1104 CASMILES C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)N DR1104 CAS__NUM CAS 68693-11-8 DR1104 CHEBINUM 77585 DR1105 DRUG__ID DR1105 DR1105 DRUGNAME Molsidomine DR1105 PUBCMCID 5353788 DR1105 TTDRUGID D08VXL DR1105 DFORMULA C9H14N4O4 DR1105 INCHIKEY XLFWDASMENKTKL-UHFFFAOYSA-N DR1105 DRUINCHI 1S/C9H14N4O4/c1-2-16-9(14)10-8-7-13(11-17-8)12-3-5-15-6-4-12/h7H,2-6H2,1H3 DR1105 CASMILES CCOC(=NC1=C[N+](=NO1)N2CCOCC2)[O-] DR1105 CAS__NUM CAS 25717-80-0 DR1105 CHEBINUM 92623 DR1107 DRUG__ID DR1107 DR1107 DRUGNAME Mometasone furoate DR1107 PUBCMCID 441336 DR1107 TTDRUGID D03HYX DR1107 DFORMULA C27H30Cl2O6 DR1107 INCHIKEY WOFMFGQZHJDGCX-ZULDAHANSA-N DR1107 DRUINCHI 1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1 DR1107 CASMILES CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CCl)OC(=O)C5=CC=CO5)C)O)Cl)C DR1107 CAS__NUM CAS 83919-23-7 DR1107 CHEBINUM 47564 DR1109 DRUG__ID DR1109 DR1109 DRUGNAME FO-611 DR1109 PUBCMCID 5282489 DR1109 TTDRUGID D0O1PH DR1109 DFORMULA C20H41NO3 DR1109 INCHIKEY KGWDUNBJIMUFAP-KVVVOXFISA-N DR1109 DRUINCHI 1S/C18H34O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4/h9-10H,2-8,11-17H2,1H3,(H,19,20);4H,1-3H2/b10-9-; DR1109 CASMILES CCCCCCCCC=CCCCCCCCC(=O)O.C(CO)N DR1109 CAS__NUM CAS 2272-11-9 DR1109 PUBCMSID 7849335; 8617085; 39315923; 48415967; 57358695; 77776580; 99443246; 113857314; 126674136; 134981584; 137008449; 160967862; 175267734; 179117037; 223664923; 226512368; 241046986 DR1111 DRUG__ID DR1111 DR1111 DRUGNAME Montelukast sodium DR1111 PUBCMCID 23663996 DR1111 TTDRUGID D00QET DR1111 DFORMULA C35H35ClNNaO3S DR1111 INCHIKEY LBFBRXGCXUHRJY-HKHDRNBDSA-M DR1111 DRUINCHI 1S/C35H36ClNO3S.Na/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29;/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39);/q;+1/p-1/b15-10+;/t32-;/m1./s1 DR1111 CASMILES CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)[O-])O.[Na+] DR1111 CAS__NUM CAS 151767-02-1 DR1111 CHEBINUM 6993 DR1112 DRUG__ID DR1112 DR1112 DRUGNAME Morphine DR1112 PUBCMCID 5288826 DR1112 TTDRUGID D0WE3O DR1112 DFORMULA C17H19NO3 DR1112 INCHIKEY BQJCRHHNABKAKU-KBQPJGBKSA-N DR1112 DRUINCHI 1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 DR1112 CASMILES CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O DR1112 CAS__NUM CAS 57-27-2 DR1112 CHEBINUM 17303 DR1112 PUBCMSID 4681; 597738; 841232; 7888991; 7980017; 8017560; 8144201; 11041479; 14775492; 14897787; 39321145; 46394454; 46505161; 48416295; 49992759; 53788344; 56312319; 56312595; 56313877; 57359248; 79236356; 87544101; 93166305; 96024921; 103169185; 103914789; 126677732; 127553079; 127829358; 134337399; 134970862; 135650624; 137003124; 137178956; 139157571; 152105973; 160963643; 175268905; 175442171; 179150686; 223674390; 223677431; 223738295; 226395290; 241102130 DR1116 DRUG__ID DR1116 DR1116 DRUGNAME Moxidectin DR1116 PUBCMCID 9832912 DR1116 TTDRUGID D01ORS DR1116 DFORMULA C37H53NO8 DR1116 INCHIKEY YZBLFMPOMVTDJY-LSGXYNIPSA-N DR1116 DRUINCHI 1S/C37H53NO8/c1-21(2)14-25(6)33-26(7)31(38-42-8)19-36(46-33)18-29-17-28(45-36)13-12-23(4)15-22(3)10-9-11-27-20-43-34-32(39)24(5)16-30(35(40)44-29)37(27,34)41/h9-12,14,16,21-22,26,28-30,32-34,39,41H,13,15,17-20H2,1-8H3/b10-9+,23-12+,25-14+,27-11+,38-31+/t22-,26-,28+,29-,30-,32+,33+,34+,36-,37+/m0/s1 DR1116 CASMILES CC1CC(=CCC2CC(CC3(O2)CC(=NOC)C(C(O3)C(=CC(C)C)C)C)OC(=O)C4C=C(C(C5C4(C(=CC=C1)CO5)O)O)C)C DR1116 CAS__NUM CAS 113507-06-5 DR1117 DRUG__ID DR1117 DR1117 DRUGNAME BMS-298585 DR1117 PUBCMCID 206044 DR1117 TTDRUGID D0M3UT DR1117 DFORMULA C29H28N2O7 DR1117 INCHIKEY IRLWJILLXJGJTD-UHFFFAOYSA-N DR1117 DRUINCHI 1S/C29H28N2O7/c1-20-26(30-28(37-20)22-6-4-3-5-7-22)16-17-36-24-10-8-21(9-11-24)18-31(19-27(32)33)29(34)38-25-14-12-23(35-2)13-15-25/h3-15H,16-19H2,1-2H3,(H,32,33) DR1117 CASMILES CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=C(C=C3)CN(CC(=O)O)C(=O)OC4=CC=C(C=C4)OC DR1117 CAS__NUM CAS 331741-94-7 DR1118 DRUG__ID DR1118 DR1118 DRUGNAME Mycophenolate mofetil DR1118 PUBCMCID 5281078 DR1118 TTDRUGID D04FBR DR1118 DFORMULA C23H31NO7 DR1118 INCHIKEY RTGDFNSFWBGLEC-SYZQJQIISA-N DR1118 DRUINCHI 1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+ DR1118 CASMILES CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)OCCN3CCOCC3)O DR1118 CAS__NUM CAS 128794-94-5 DR1118 CHEBINUM 8764 DR1118 PUBCMSID 10110; 537396; 623972; 7847817; 8616507; 12014254; 14758955; 29215410; 39289999; 46505626; 48416299; 49830660; 49976609; 50064190; 56310881; 56312885; 57358003; 62129612; 77319688; 80954261; 92308999; 92718908; 93619754; 96099842; 103524891; 103831140; 104253178; 113854519; 117622077; 118053002; 124757298; 125164102; 125275456; 126592936; 126621236; 126622394; 126651543; 126669998; 126682700; 131295332; 131297141; 132003527; 134338068; 134339833; 135016986; 135039794; 136949095; 137004579; 142385187; 144075766 DR1119 DRUG__ID DR1119 DR1119 DRUGNAME Mycophenolic acid DR1119 PUBCMCID 446541 DR1119 DFORMULA C17H20O6 DR1119 INCHIKEY HPNSFSBZBAHARI-RUDMXATFSA-N DR1119 DRUINCHI 1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+ DR1119 CASMILES CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)O)O DR1119 CAS__NUM CAS 483-60-3 DR1119 CHEBINUM 168396 DR1120 DRUG__ID DR1120 DR1120 DRUGNAME N,N-dimethylformamide DR1120 PUBCMCID 6228 DR1120 TTDRUGID D0E1KX DR1120 DFORMULA C3H7NO DR1120 INCHIKEY ZMXDDKWLCZADIW-UHFFFAOYSA-N DR1120 DRUINCHI 1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3 DR1120 CASMILES CN(C)C=O DR1120 CAS__NUM CAS 68-12-2 DR1120 CHEBINUM 17741 DR1120 PUBCMSID 6023; 71484; 588252; 596556; 3133020; 5056504; 7887090; 8144024; 8153911; 10532602; 11110291; 12055888; 15218622; 17388882; 17389908; 24849438; 24849479; 24853607; 24856379; 24859200; 24859940; 24865091; 24867382; 24867912; 24872907; 24883591; 24886401; 24893883; 26719250; 26752801; 29225225; 37395225; 39218025; 41146321; 46506036; 48413664; 48416762; 48421486; 48423335; 48425349; 48425350; 49855709; 52530036; 53788473; 56312817; 56313658; 57288677; 57323275; 57390177; 57647430 DR1121 DRUG__ID DR1121 DR1121 DRUGNAME GW-1000 DR1121 PUBCMCID 44148067 DR1121 TTDRUGID D0C5CE DR1121 DFORMULA C42H60O4 DR1121 INCHIKEY SSNHGLKFJISNTR-FWUPRJFYSA-N DR1121 DRUINCHI 1S/2C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15;1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,16-17,22H,5-10H2,1-4H3;11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t16-,17-;17-,18?/m10/s1 DR1121 CASMILES CCCCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C)O.CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C)O DR1121 CAS__NUM CAS 56575-23-6 DR1121 PUBCMSID 135262436; 202535631 DR1122 DRUG__ID DR1122 DR1122 DRUGNAME Nabumetone DR1122 PUBCMCID 4409 DR1122 TTDRUGID D05CKR DR1122 DFORMULA C15H16O2 DR1122 INCHIKEY BLXXJMDCKKHMKV-UHFFFAOYSA-N DR1122 DRUINCHI 1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3 DR1122 CASMILES CC(=O)CCC1=CC2=C(C=C1)C=C(C=C2)OC DR1122 CAS__NUM CAS 42924-53-8 DR1122 CHEBINUM 7443 DR1122 PUBCMSID 866759; 5089100; 7847491; 7980058; 8139968; 8150030; 8152727; 11112767; 11336025; 11361264; 11364380; 11366942; 11369504; 11373826; 11377666; 11462236; 11466937; 11468057; 11485833; 11486693; 11489785; 11491989; 11495300; 12012677; 15196152; 24897772; 26612514; 26679665; 26748824; 26748825; 29223506; 46507729; 47216826; 47515367; 47662339; 47736536; 47885464; 48035181; 49698816; 49896758; 53786809; 56364587; 56422157; 57322259; 57654458; 80932204; 85087976; 85787391; 92124694; 92125724 DR1123 DRUG__ID DR1123 DR1123 DRUGNAME Dihydrocozymase DR1123 PUBCMCID 439153 DR1123 TTDRUGID D0B8SV DR1123 DFORMULA C21H29N7O14P2 DR1123 INCHIKEY BOPGDPNILDQYTO-NNYOXOHSSA-N DR1123 DRUINCHI 1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 DR1123 CASMILES C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O DR1123 CAS__NUM CAS 606-68-8 DR1123 CHEBINUM 16908 DR1123 PUBCMSID 3306; 584476; 584809; 585516; 821913; 823134; 825930; 825936; 828466; 828744; 828908; 841526; 8024318; 8145742; 10298218; 10317217; 14839494; 24775903; 26702311; 26704397; 26706856; 26707742; 26707751; 26707759; 26708871; 26711774; 26712883; 36883413; 46504879; 50172602; 57402874; 81059101; 81060441; 85164328; 85164331; 85164902; 85176956; 104619760; 123059890; 123059893; 123059898; 127284280; 127284281; 127284282; 127284283; 127284284; 127284285; 127284286; 127284287; 127284288 DR1124 DRUG__ID DR1124 DR1124 DRUGNAME Naftopidil DR1124 PUBCMCID 4418 DR1124 TTDRUGID D04DKH DR1124 DFORMULA C24H28N2O3 DR1124 INCHIKEY HRRBJVNMSRJFHQ-UHFFFAOYSA-N DR1124 DRUINCHI 1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3 DR1124 CASMILES COC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=CC4=CC=CC=C43)O DR1124 CAS__NUM CAS 57149-07-2 DR1124 CHEBINUM 31891 DR1126 DRUG__ID DR1126 DR1126 DRUGNAME Naloxegol oxalate DR1126 PUBCMCID 56959086 DR1126 TTDRUGID D07LCF DR1126 DFORMULA C36H55NO15 DR1126 INCHIKEY MNYIRXLCPODKLG-VUTNLTPYSA-N DR1126 DRUINCHI 1S/C34H53NO11.C2H2O4/c1-3-9-35-10-8-33-30-26-4-5-27(36)31(30)46-32(33)28(6-7-34(33,37)29(35)25-26)45-24-23-44-22-21-43-20-19-42-18-17-41-16-15-40-14-13-39-12-11-38-2;3-1(4)2(5)6/h3-5,28-29,32,36-37H,1,6-25H2,2H3;(H,3,4)(H,5,6)/t28-,29+,32-,33-,34+;/m0./s1 DR1126 CASMILES COCCOCCOCCOCCOCCOCCOCCOC1CCC2(C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3CC=C)O.C(=O)(C(=O)O)O DR1126 CAS__NUM CAS 1354744-91-4 DR1127 DRUG__ID DR1127 DR1127 DRUGNAME Naloxone DR1127 PUBCMCID 5284596 DR1127 TTDRUGID D0RN5A DR1127 DFORMULA C19H21NO4 DR1127 INCHIKEY UZHSEJADLWPNLE-GRGSLBFTSA-N DR1127 DRUINCHI 1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 DR1127 CASMILES C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O DR1127 CAS__NUM CAS 465-65-6 DR1127 CHEBINUM 7459 DR1127 PUBCMSID 9461; 113816; 841983; 7980073; 11039368; 11466139; 11467259; 11485797; 14777335; 14924176; 16463984; 25663897; 39317902; 46508816; 47588898; 47588899; 47662178; 47736369; 47959634; 48334383; 48416308; 49698350; 49993151; 50070720; 50104484; 53788675; 56312594; 56312596; 56352924; 57288792; 57359133; 74711224; 85787517; 92309116; 93166268; 96024937; 103170037; 103915330; 124886932; 126688739; 129442197; 134337424; 134974167; 135650684; 135651185; 137001357; 139076562; 144205559; 160964517; 162183031 DR1128 DRUG__ID DR1128 DR1128 DRUGNAME Naltrexone DR1128 PUBCMCID 5360515 DR1128 TTDRUGID D0PG8O DR1128 DFORMULA C20H23NO4 DR1128 INCHIKEY DQCKKXVULJGBQN-XFWGSAIBSA-N DR1128 DRUINCHI 1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1 DR1128 CASMILES C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)O DR1128 CAS__NUM CAS 16590-41-3 DR1128 CHEBINUM 7465 DR1128 PUBCMSID 9462; 596067; 11466144; 11467264; 11485807; 11653758; 14753731; 14875729; 39383995; 46505333; 47206838; 47350797; 47647883;47722000; 48095907; 48170809; 48244798; 49698353; 49993104; 53787920; 57362014; 80591843; 85787880; 92308967; 93166563; 93815010; 103915329; 104222111; 124886894; 124886895; 127334962; 127334963; 127334964; 127334965; 127334966; 127770775; 131283791; 134337689; 134993601; 135650687; 137001356; 141566780; 143492741; 144205560; 152134015; 152233304; 152258923; 160647768; 160964048; 166653673 DR1129 DRUG__ID DR1129 DR1129 DRUGNAME Nandrolone DR1129 PUBCMCID 9904 DR1129 TTDRUGID D00YWP DR1129 DFORMULA C18H26O2 DR1129 INCHIKEY NPAGDVCDWIYMMC-IZPLOLCNSA-N DR1129 DRUINCHI 1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1 DR1129 CASMILES CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34 DR1129 CAS__NUM CAS 434-22-0 DR1129 CHEBINUM 7466 DR1129 PUBCMSID 9463; 7980080; 8157151; 12146096; 14718104; 14771089; 24870216; 24886700; 24897817; 29215354; 29228461; 46386764; 48416309; 49965900; 50531284; 53788175; 57325858; 57650818; 57652521; 83613872; 85148374; 85300761; 92308394; 92714065; 96024938; 103202464; 103980273; 104321851; 121363640; 124658841; 124813376; 124892176; 126524638; 126624424; 126655692; 126688604; 128733950; 134338180; 134974495; 137006447; 144089075; 144206718; 144206750; 144208410; 152034352; 162222852; 163686430; 164763232; 164788571; 170466348 DR1130 DRUG__ID DR1130 DR1130 DRUGNAME Naproxen DR1130 PUBCMCID 156391 DR1130 TTDRUGID D0DJ1B DR1130 DFORMULA C14H14O3 DR1130 INCHIKEY CMWTZPSULFXXJA-VIFPVBQESA-N DR1130 DRUINCHI 1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 DR1130 CASMILES CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O DR1130 CAS__NUM CAS 22204-53-1 DR1130 CHEBINUM 7476 DR1130 PUBCMSID 4682; 597410; 3248704; 7847186; 7980083; 8149438; 10252902; 10321400; 11112669; 11335417; 11360656; 11363871; 11366433; 11368995; 11371667; 11373736; 11377157; 11461628; 11466819; 11467939; 11484702; 11486597; 11488859; 11490330; 11491884; 11494791; 15172373; 15172374; 22391409; 24857178; 24870224; 24883816; 24897861; 25649496; 26527900; 26611833; 26679674; 26755231; 46232210; 46487915; 46505508; 47291026; 47588882; 47810639; 48334369; 48334370; 48426145; 49833549; 50025704; 50103854 DR1131 DRUG__ID DR1131 DR1131 DRUGNAME Naratriptan DR1131 PUBCMCID 4440 DR1131 TTDRUGID D0T3KI DR1131 DFORMULA C17H25N3O2S DR1131 INCHIKEY AMKVXSZCKVJAGH-UHFFFAOYSA-N DR1131 DRUINCHI 1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3 DR1131 CASMILES CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C DR1131 CAS__NUM CAS 121679-13-8 DR1131 CHEBINUM 7478 DR1131 PUBCMSID 9994; 591979; 4406062; 7980085; 8152740; 14802133; 29223537; 46507243; 46530540; 48416313; 49984092; 50126335; 50340505; 57322272; 85209198; 92721601; 93166470; 96024943; 103396287; 103966995; 104306415; 118043420; 124757290; 125001918; 125164094; 125339313; 126619011; 126661482; 126731399; 127427940; 134221895; 134338167; 135035417; 135650691; 135692164; 137002440; 139157587; 143500462; 144116266; 152035273; 152253555; 152344169; 160964291; 164830541; 174006312; 175268422; 176253695; 179116807; 196105283; 210279333 DR1132 DRUG__ID DR1132 DR1132 DRUGNAME Nateglinide DR1132 PUBCMCID 5311309 DR1132 TTDRUGID D06PSS DR1132 DFORMULA C19H27NO3 DR1132 INCHIKEY OELFLUMRDSZNSF-OFLPRAFFSA-N DR1132 DRUINCHI 1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23)/t15-,16-,17-/m1/s1 DR1132 CASMILES CC(C)C1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)O DR1132 CAS__NUM CAS 105816-04-4 DR1132 CHEBINUM 31897 DR1132 PUBCMSID 582898; 7848174; 7980094; 12013966; 14752539; 14874578; 26719880; 37101837; 39341005; 46386701; 46504836; 49681657; 49830241; 56313768; 57359430; 75919327; 81092826; 91748929; 92308370; 92308686; 92711649; 93166415; 103206766; 104253649; 114155796; 117890894; 124658899; 124757828; 124801358; 125164632; 126630653; 126657177; 128797137; 128797139; 128797141; 131293719; 131347903; 131860350; 135692483; 136949105; 137129256; 137175459; 137231395; 140330680; 142491149; 142619974; 143248460; 144204985; 151981031; 152100318 DR1134 DRUG__ID DR1134 DR1134 DRUGNAME Nebivolol hydrochloride DR1134 PUBCMCID 11626384 DR1134 TTDRUGID D0Z1UA DR1134 DFORMULA C22H26ClF2NO4 DR1134 INCHIKEY JWEXHQAEWHKGCW-BIISKSHESA-N DR1134 DRUINCHI 1S/C22H25F2NO4.ClH/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22;/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2;1H/t17-,18-,21-,22+;/m0./s1 DR1134 CASMILES C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O.Cl DR1134 CAS__NUM CAS 169293-50-9 DR1134 CHEBINUM 132914 DR1135 DRUG__ID DR1135 DR1135 DRUGNAME Nefazodone DR1135 PUBCMCID 4449 DR1135 TTDRUGID D0X7DE DR1135 DFORMULA C25H32ClN5O2 DR1135 INCHIKEY VRBKIVRKKCLPHA-UHFFFAOYSA-N DR1135 DRUINCHI 1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3 DR1135 CASMILES CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl DR1135 CAS__NUM CAS 83366-66-9 DR1135 CHEBINUM 7494 DR1135 PUBCMSID 9465; 4634333; 7980102; 8152743; 14858579; 29217604; 29223544; 46508323; 48416316; 49665930; 49666410; 50057418; 50111710; 50788542; 56464118; 57322274; 85209875; 85789114; 89736110; 92309073; 93166947; 96024945; 103188221; 103963508; 104306436; 121362268; 124799827; 124893191; 125358294; 126656776; 126684012; 127339542; 127339543; 127339544; 127339545; 129514880; 131327475; 134337370; 135020756; 137001425; 142052543; 144076337; 152046617; 160964483; 163409603; 164828567; 172862753; 175268308; 175610915;176484419 DR1136 DRUG__ID DR1136 DR1136 DRUGNAME Nelarabine DR1136 PUBCMCID 3011155 DR1136 TTDRUGID D0B8UJ DR1136 DFORMULA C11H15N5O5 DR1136 INCHIKEY IXOXBSCIXZEQEQ-UHTZMRCNSA-N DR1136 DRUINCHI 1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7+,10-/m1/s1 DR1136 CASMILES COC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)N DR1136 CAS__NUM CAS 121032-29-9 DR1136 CHEBINUM 63612 DR1136 PUBCMSID 3723610; 10039476; 12015013; 14775959; 14922755; 36059494; 46506325; 47206859; 50125808; 57410212; 71821532; 80796537; 99437030;103771095; 111631431; 124757087; 125163891; 126592934; 128235087; 131296361; 134223564; 134338255; 135108408; 135611106; 136368093; 136375852; 136949086; 137006687; 140519970; 144074932; 144115623; 144206267; 151991744; 152059610; 152213835; 152344115; 160964602; 162011505; 164175279; 170464759; 172914301; 174477095; 175266277; 176484949; 178103668; 179116965; 185998139; 196376328; 210274937; 210280574 DR1138 DRUG__ID DR1138 DR1138 DRUGNAME Nelfinavir mesylate DR1138 PUBCMCID 64142 DR1138 DFORMULA C33H49N3O7S2 DR1138 INCHIKEY NQHXCOAXSHGTIA-SKXNDZRYSA-N DR1138 DRUINCHI 1S/C32H45N3O4S.CH4O3S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4;1-5(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39);1H3,(H,2,3,4)/t22-,23+,26-,27-,29+;/m0./s1 DR1138 CASMILES CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O.CS(=O)(=O)O DR1138 CAS__NUM CAS 159989-65-8 DR1138 CHEBINUM 7497 DR1139 DRUG__ID DR1139 DR1139 DRUGNAME Netilmicin DR1139 PUBCMCID 441306 DR1139 TTDRUGID D07JZF DR1139 DFORMULA C21H41N5O7 DR1139 INCHIKEY CIDUJQMULVCIBT-MQDUPKMGSA-N DR1139 DRUINCHI 1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/t11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1 DR1139 CASMILES CCNC1CC(C(C(C1OC2C(C(C(CO2)(C)O)NC)O)O)OC3C(CC=C(O3)CN)N)N DR1139 CAS__NUM CAS 56391-56-1 DR1139 CHEBINUM 7528 DR1139 PUBCMSID 9859; 625394; 7980108; 10298789; 14834528; 34187964; 47589148; 47736649; 48334664; 49699295; 50123973; 50202618; 96024955; 104234256; 104625159; 123080687; 124766036; 134337700; 160964294; 162173136; 163913838; 179150658; 198947331 DR1140 DRUG__ID DR1140 DR1140 DRUGNAME RWJ-241947 DR1140 PUBCMCID 204109 DR1140 TTDRUGID D02TGD DR1140 DFORMULA C21H16FNO3S DR1140 INCHIKEY PKWDZWYVIHVNKS-UHFFFAOYSA-N DR1140 DRUINCHI 1S/C21H16FNO3S/c22-18-4-2-1-3-16(18)12-26-17-8-7-14-9-13(5-6-15(14)11-17)10-19-20(24)23-21(25)27-19/h1-9,11,19H,10,12H2,(H,23,24,25) DR1140 CASMILES C1=CC=C(C(=C1)COC2=CC3=C(C=C2)C=C(C=C3)CC4C(=O)NC(=O)S4)F DR1140 CAS__NUM CAS 161599-99-1 DR1140 PUBCMSID 10266079; 12014903; 14804654; 30409351; 47206874; 53789988; 56314529; 57399414; 78102491; 103302827; 104438295; 126455542; 127315825; 127315826; 127315827; 127315828; 127315829; 127334948; 127334949; 127334950; 127334951; 127334952; 134224278; 134339349; 134339958; 135178649; 135650709; 137063230; 140097400; 143170090; 162222887; 176225523; 179150029; 215780839; 223704978; 223908693; 226509499; 252450244; 252543600 DR1141 DRUG__ID DR1141 DR1141 DRUGNAME R-1124 DR1141 PUBCMCID 6451149 DR1141 TTDRUGID D0G3YC DR1141 DFORMULA C30H32F6N4O DR1141 INCHIKEY WAXQNWCZJDTGBU-UHFFFAOYSA-N DR1141 DRUINCHI 1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3 DR1141 CASMILES CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCN(CC4)C DR1141 CAS__NUM CAS 290297-26-6 DR1141 CHEBINUM 85155 DR1141 PUBCMSID 11972336; 15109574; 43042117; 47206876; 50788120; 57370279; 103482309; 104063884; 114526492; 125683129; 126671554; 135246549; 137248756; 142494945; 162830915; 178102368; 179323031; 198988386; 210275497; 210281145; 223666980; 223771059; 226767714; 246332907; 249807117; 250163183; 251971119; 252215904; 252480189 DR1142 DRUG__ID DR1142 DR1142 DRUGNAME Nevirapine DR1142 PUBCMCID 4463 DR1142 TTDRUGID D0O2EM DR1142 DFORMULA C15H14N4O DR1142 INCHIKEY NQDJXKOVJZTUJA-UHFFFAOYSA-N DR1142 DRUINCHI 1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20) DR1142 CASMILES CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4 DR1142 CAS__NUM CAS 129618-40-2 DR1142 CHEBINUM 63613 DR1142 PUBCMSID 9472; 500792; 597607; 601303; 819817; 823573; 823576; 826050; 826057; 826059; 826060; 832211; 832214; 833983; 865943; 866527; 5596797; 7847501; 7889356; 7889505; 7980115; 8031304; 8152750; 12014582; 14716699; 14716702; 14872507; 17388862; 24721613; 26718578; 26719643; 29223558; 46386569; 46393424; 46394249; 46506789; 48425381; 49718173; 49856363; 50086444; 50622552; 53789571; 56313692; 56313770; 57322283; 81093307; 85173516; 92308419; 92712790; 93166484 DR1144 DRUG__ID DR1144 DR1144 DRUGNAME Nicardipine hydrochloride DR1144 PUBCMCID 41114 DR1144 TTDRUGID D0T0KA DR1144 DFORMULA C26H30ClN3O6 DR1144 INCHIKEY AIKVCUNQWYTVTO-UHFFFAOYSA-N DR1144 DRUINCHI 1S/C26H29N3O6.ClH/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19;/h5-12,15,24,27H,13-14,16H2,1-4H3;1H DR1144 CASMILES CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC.Cl DR1144 CAS__NUM CAS 54527-84-3 DR1144 CHEBINUM 7551 DR1145 DRUG__ID DR1145 DR1145 DRUGNAME Nicergoline DR1145 PUBCMCID 34040 DR1145 TTDRUGID D0V2GH DR1145 DFORMULA C24H26BrN3O3 DR1145 INCHIKEY YSEXMKHXIOCEJA-FVFQAYNVSA-N DR1145 DRUINCHI 1S/C24H26BrN3O3/c1-27-13-17-8-21-24(30-3,19-5-4-6-20(27)22(17)19)9-15(12-28(21)2)14-31-23(29)16-7-18(25)11-26-10-16/h4-7,10-11,13,15,21H,8-9,12,14H2,1-3H3/t15-,21-,24+/m1/s1 DR1145 CASMILES CN1CC(CC2(C1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=CN=C5)Br DR1145 CAS__NUM CAS 27848-84-6 DR1145 CHEBINUM 31902 DR1145 PUBCMSID 7848353; 8149729; 8173409; 11335299; 11360538; 11364264; 11366826; 11369388; 11372885; 11373939; 11377550; 11461510; 11466175; 11467295; 11485224; 11485929; 11489230; 11491748; 11492255; 11495184; 14834936; 14883615; 24897843; 26612185; 26680905; 26751796; 34675771; 46508741; 47290994; 47440109; 47588847; 47736318; 48184852; 48184853; 48259072; 48334339; 49698370; 49965496; 50104491; 50658085; 57311619; 57654463; 81092828; 85788051; 89449645; 92124960; 92125220; 92307617; 92308839; 93619685 DR1146 DRUG__ID DR1146 DR1146 DRUGNAME Niclosamide DR1146 PUBCMCID 4477 DR1146 TTDRUGID D0J9ZR DR1146 DFORMULA C13H8Cl2N2O4 DR1146 INCHIKEY RJMUSRYZPJIFPJ-UHFFFAOYSA-N DR1146 DRUINCHI 1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19) DR1146 CASMILES C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O DR1146 CAS__NUM CAS 50-65-7 DR1146 CHEBINUM 7553 DR1146 PUBCMSID 446537; 635963; 5010826; 5010827; 7847502; 7980120; 8149966; 8152760; 10321405; 10852038; 11111533; 11111534; 11335884; 11361123; 11363133; 11365695; 11368257; 11371653; 11373910; 11376419; 11462095; 11466068; 11467188; 11484961; 11485796; 11488999; 11490483; 11492011; 11494053; 12159141; 14924163; 17405839; 24278585; 24862257; 26612455; 26680237; 26747596; 26753613; 29223572; 46511793; 47242136; 47365202; 47662299; 47810766; 47885430; 47959760; 48035132; 48035133; 48259243; 48334504 DR1147 DRUG__ID DR1147 DR1147 DRUGNAME N-547 DR1147 PUBCMCID 938 DR1147 TTDRUGID D06NVJ DR1147 DFORMULA C6H5NO2 DR1147 INCHIKEY PVNIIMVLHYAWGP-UHFFFAOYSA-N DR1147 DRUINCHI 1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) DR1147 CASMILES C1=CC(=CN=C1)C(=O)O DR1147 CAS__NUM CAS 98-92-0 DR1147 CHEBINUM 17154 DR1147 PUBCMSID 3552; 442239; 603582; 820072; 822608; 822612; 822614; 823496; 823501; 823504; 823505; 825387; 825389; 825391; 836760; 839469; 841416; 3134021; 5010821; 7847117; 7889415; 7980123; 8012057; 8012060; 8013436; 8028590; 8139875; 8143743; 8149442; 8150876; 10528901; 11112153; 11335870; 11361109; 11363957; 11366519; 11369081; 11371669; 11374448; 11377243; 11405436; 11462081; 11466909; 11468029; 11483747; 11486617; 11487822; 11490331; 11492780; 11494877 DR1148 DRUG__ID DR1148 DR1148 DRUGNAME Nicotine DR1148 PUBCMCID 89594 DR1148 TTDRUGID D0T8GD DR1148 DFORMULA C10H14N2 DR1148 INCHIKEY SNICXCGAKADSCV-JTQLQIEISA-N DR1148 DRUINCHI 1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 DR1148 CASMILES CN1CCCC1C2=CN=CC=C2 DR1148 CAS__NUM CAS 54-11-5 DR1148 CHEBINUM 17688 DR1148 PUBCMSID 4007; 794580; 829184; 829311; 833584; 3137564; 7889325; 7980122; 8144582; 10223753; 11537938; 14748051; 15171051; 17389805; 17397514; 24862741; 24870064; 24897663; 24897737; 25621940; 26752744; 26752745; 26752746; 44420693; 46393352; 47515453; 47515454; 47959911; 48110586; 48414101; 48423841; 48425389; 49854422; 50105392; 50105393; 50271161; 53788316; 53801040; 56310810; 56311904; 56312242; 56312459; 56312463; 56312785; 56313106; 56313907; 56314421; 56314547; 56314548; 56314824 DR1151 DRUG__ID DR1151 DR1151 DRUGNAME Nicotinyl alcohol DR1151 PUBCMCID 7510 DR1151 DFORMULA C6H7NO DR1151 INCHIKEY MVQVNTPHUGQQHK-UHFFFAOYSA-N DR1151 DRUINCHI 1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2 DR1151 CASMILES C1=CC(=CN=C1)CO DR1151 CAS__NUM CAS 100-55-0 DR1151 CHEBINUM 45213 DR1152 DRUG__ID DR1152 DR1152 DRUGNAME Nifedipine DR1152 PUBCMCID 4485 DR1152 TTDRUGID D04OSE DR1152 DFORMULA C17H18N2O6 DR1152 INCHIKEY HYIMSNHJOBLJNT-UHFFFAOYSA-N DR1152 DRUINCHI 1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3 DR1152 CASMILES CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC DR1152 CAS__NUM CAS 21829-25-4 DR1152 CHEBINUM 7565 DR1152 PUBCMSID 9475; 634276; 841058; 855613; 3153213; 5010834; 6300547; 7847503; 7980124; 8145946; 8149443; 8152762; 10321407; 10513802;11111548; 11111549; 11113899; 11119993; 11120481; 11120969; 11121456; 11121936; 11147076; 11335488; 11360727; 11362525; 11363873; 11364812; 11365087; 11366435; 11367374; 11367649; 11368997; 11369936;11370321; 11370322; 11371671; 11372976; 11373250; 11373766; 11375536; 11375811; 11377159; 11378103; 11461699; 11466091; 11467211; 11484752; 11485902; 11488874 DR1153 DRUG__ID DR1153 DR1153 DRUGNAME UP-83 DR1153 PUBCMCID 4488 DR1153 TTDRUGID D00HGB DR1153 DFORMULA C13H9F3N2O2 DR1153 INCHIKEY JZFPYUNJRRFVQU-UHFFFAOYSA-N DR1153 DRUINCHI 1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20) DR1153 CASMILES C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)O)C(F)(F)F DR1153 CAS__NUM CAS 4394-00-7 DR1153 CHEBINUM 34888 DR1153 PUBCMSID 586287; 832913; 855922; 3154432; 7403766; 7889362; 7980125; 8149792; 8152765; 10321830; 10522919; 10589648; 11111518; 11111519; 11119995; 11120483; 11120971; 11121458; 11121938; 11147078; 11335452; 11360691; 11362527; 11364247; 11365089; 11366809; 11367651; 11369371; 11370325; 11370326; 11372668; 11373252; 11373644; 11375813; 11377533; 11461663; 11466283; 11467403; 11484664; 11486025; 11488610; 11491300; 11491858; 11495167; 14720380; 14750946; 17405406; 24278582; 26612255; 26679975 DR1154 DRUG__ID DR1154 DR1154 DRUGNAME Niguldipine DR1154 PUBCMCID 60602 DR1154 TTDRUGID D05IML DR1154 DFORMULA C36H39N3O6 DR1154 INCHIKEY SVJMLYUFVDMUHP-XIFFEERXSA-N DR1154 DRUINCHI 1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3/t33-/m0/s1 DR1154 CASMILES CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC DR1154 CAS__NUM CAS 113165-32-5 DR1154 CHEBINUM 103931 DR1154 PUBCMSID 8186958; 11113931; 11113932; 14911982; 43117981; 80372166; 85789015; 103567485; 103942848; 104321194; 117381126; 134341334; 135018553; 135650717; 139282946; 179149614; 184547327; 198971262; 225146125; 225146175; 226595902 DR1155 DRUG__ID DR1155 DR1155 DRUGNAME Nilotinib DR1155 PUBCMCID 11957582 DR1155 TTDRUGID D00STL DR1155 DFORMULA C8H17N3O2 DR1155 INCHIKEY ONYFNWIHJBLQKE-SSDOTTSWSA-N DR1155 DRUINCHI 1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m1/s1 DR1155 CASMILES CC(=NCCCCC(C(=O)O)N)N DR1155 CAS__NUM CAS 641571-10-0 DR1155 PUBCMSID 36454846; 48169359; 50111110; 78899098; 90341366; 103358751; 103939234; 124749899; 178101915 DR1157 DRUG__ID DR1157 DR1157 DRUGNAME Niludipine DR1157 PUBCMCID 89767 DR1157 DFORMULA C25H34N2O8 DR1157 INCHIKEY VZWXXKDFACOXNT-UHFFFAOYSA-N DR1157 DRUINCHI 1S/C25H34N2O8/c1-5-10-32-12-14-34-24(28)21-17(3)26-18(4)22(25(29)35-15-13-33-11-6-2)23(21)19-8-7-9-20(16-19)27(30)31/h7-9,16,23,26H,5-6,10-15H2,1-4H3 DR1157 CASMILES CCCOCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOCCC)C)C DR1157 CAS__NUM CAS 22609-73-0 DR1158 DRUG__ID DR1158 DR1158 DRUGNAME Nilutamide DR1158 PUBCMCID 4493 DR1158 TTDRUGID D0SN9T DR1158 DFORMULA C12H10F3N3O4 DR1158 INCHIKEY XWXYUMMDTVBTOU-UHFFFAOYSA-N DR1158 DRUINCHI 1S/C12H10F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20) DR1158 CASMILES CC1(C(=O)N(C(=O)N1)C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C DR1158 CAS__NUM CAS 63612-50-0 DR1158 CHEBINUM 7573 DR1158 PUBCMSID 10364; 5851647; 7404097; 7848028; 7978498; 8152766; 11111555; 11111556; 11114201; 11342173; 11362356; 11364519; 11367081;11369643; 11372644; 11374239; 11377805; 11466956; 11468076; 11485861; 11486751; 11487758; 11489789; 11491448; 11492415; 11495439; 12013485; 14850346; 17405438; 24278596; 26612639; 26680190; 26747174;26747175; 26752242; 29223587; 46505381; 47365306; 47365307; 47959867; 48110544; 48259346; 48259347; 48334600; 49698835; 49980214; 50104947; 50104948; 50104949; 50104950 DR1159 DRUG__ID DR1159 DR1159 DRUGNAME ARC-029 DR1159 PUBCMCID 4494 DR1159 TTDRUGID D06GRK DR1159 DFORMULA C19H19N3O6 DR1159 INCHIKEY FAIIFDPAEUKBEP-UHFFFAOYSA-N DR1159 DRUINCHI 1S/C19H19N3O6/c1-10(2)28-19(24)15-11(3)21-14(9-20)17(18(23)27-4)16(15)12-6-5-7-13(8-12)22(25)26/h5-8,10,16,21H,1-4H3 DR1159 CASMILES CC1=C(C(C(=C(N1)C#N)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C DR1159 CAS__NUM CAS 75530-68-6 DR1159 CHEBINUM 31911 DR1159 PUBCMSID 7404098; 7848970; 8152767; 12013601; 14829624; 29223588; 50032142; 50112689; 57322296; 76419116; 91615151; 99443264; 103650265; 103825417; 104306568; 114918123; 117482643; 117550807; 118844956; 124893312; 125357242; 126684563; 131325620; 134224176; 134349141; 135011626; 135692559; 135727167; 137173173; 142970901; 144205992; 152046996; 160810045; 160846951; 160967881; 162178897; 163088366; 164814634; 175611951; 179148723; 184546033; 185987117; 187072433; 206245192; 210275074; 210280712; 223401140; 223680726; 223702474; 224966744 DR1160 DRUG__ID DR1160 DR1160 DRUGNAME Nimesulide DR1160 PUBCMCID 4495 DR1160 TTDRUGID D0C0JT DR1160 DFORMULA C13H12N2O5S DR1160 INCHIKEY HYWYRSMBCFDLJT-UHFFFAOYSA-N DR1160 DRUINCHI 1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3 DR1160 CASMILES CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2 DR1160 CAS__NUM CAS 51803-78-2 DR1160 CHEBINUM 44445 DR1160 PUBCMSID 855635; 5912186; 6436673; 7404099; 7848112; 7889413; 7980127; 8149946; 8152768; 10321585; 11111520; 11111521; 11121727; 11122207; 11335868; 11361107; 11362857; 11364471; 11365419; 11367033; 11367981; 11369595; 11370925; 11370926; 11372711; 11373582; 11373834; 11376143; 11377757; 11462079; 11466222; 11467342; 11485118; 11485804; 11489357; 11491391; 11491993; 11495391; 12012650; 14752054; 17405416; 24277576; 24278583; 26612437; 26680139; 26697157; 26746940; 26746941; 26751468; 29215000 DR1161 DRUG__ID DR1161 DR1161 DRUGNAME Nimodipine DR1161 PUBCMCID 4497 DR1161 TTDRUGID D0XN1F DR1161 DFORMULA C21H26N2O7 DR1161 INCHIKEY UIAGMCDKSXEBJQ-UHFFFAOYSA-N DR1161 DRUINCHI 1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3 DR1161 CASMILES CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC DR1161 CAS__NUM CAS 66085-59-4 DR1161 CHEBINUM 7575 DR1161 PUBCMSID 9476; 596563; 855566; 3153214; 4444853; 6951262; 7404101; 7847504; 7980128; 8152770; 11119999; 11120487; 11120975; 11121462; 11121942; 11147082; 11341987; 11362170; 11362531; 11364815; 11365093; 11367377; 11367655; 11369939; 11370333; 11370334; 11371732; 11373256; 11374401; 11375817; 11378106; 11466946; 11468066; 11485200; 11486721; 11487572; 11489378; 11490582; 11492606; 11495694; 11528721; 12013716; 14831516; 17405450; 24277858; 26612490; 26663021; 26680672; 26747118; 26747119 DR1163 DRUG__ID DR1163 DR1163 DRUGNAME Nintedanib esylate DR1163 PUBCMCID 135476717 DR1163 TTDRUGID D0FO7G DR1163 DFORMULA C33H39N5O7S DR1163 INCHIKEY ZNMRDZZRAFJOKY-UHFFFAOYSA-N DR1163 DRUINCHI 1S/C31H33N5O4.C2H6O3S/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38;1-2-6(3,4)5/h4-14,19,33,38H,15-18,20H2,1-3H3;2H2,1H3,(H,3,4,5) DR1163 CASMILES CCS(=O)(=O)O.CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O DR1163 CAS__NUM CAS 656247-18-6 DR1163 CHEBINUM 85170 DR1164 DRUG__ID DR1164 DR1164 DRUGNAME Niraparib DR1164 PUBCMCID 24958200 DR1164 TTDRUGID D00BMF DR1164 DFORMULA C19H20N4O DR1164 INCHIKEY PCHKPVIQAHNQLW-CQSZACIVSA-N DR1164 DRUINCHI 1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1 DR1164 CASMILES C1CC(CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N DR1164 CAS__NUM CAS 1038915-60-4 DR1164 PUBCMSID 56256045; 57487185; 103749792; 104150587; 135265184; 135626858; 136340151; 136349580; 136367711; 136946461; 137232464; 138192109; 144116229; 152258260; 160647096; 160829563; 162038124; 162113109; 163094037; 163394941; 163843781; 174007122; 186007055; 189561499; 198976487; 202829003; 204430248; 223617456; 227634434; 247056359; 249752894; 252080192; 252166487; 252227886; 252300335; 252462459 DR1165 DRUG__ID DR1165 DR1165 DRUGNAME Nisoldipine DR1165 PUBCMCID 4499 DR1165 TTDRUGID D0S5CU DR1165 DFORMULA C20H24N2O6 DR1165 INCHIKEY VKQFCGNPDRICFG-UHFFFAOYSA-N DR1165 DRUINCHI 1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3 DR1165 CASMILES CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC DR1165 CAS__NUM CAS 63675-72-9 DR1165 CHEBINUM 76917 DR1165 PUBCMSID 9901; 5054384; 6595685; 6951250; 7594280; 7847684; 7980129; 8152772; 11528722; 12012773; 14780577; 26719878; 26758055; 29223593; 46386699; 46504546; 48416330; 49681768; 53787999; 56313694; 56463094; 57322301; 80626920; 81092916; 92307945; 92308528; 92308896; 92711446; 93166842; 103219831; 103680984; 104306583; 117875317; 118048486; 121363368; 124658895; 124799896; 125355226; 126630843; 126657331; 126665640; 131322121; 131846259; 134337886; 135004762; 135650722; 135692260; 137122027; 137349418; 139157574 DR1166 DRUG__ID DR1166 DR1166 DRUGNAME Nitrazepam DR1166 PUBCMCID 4506 DR1166 TTDRUGID D0T5WK DR1166 DFORMULA C15H11N3O3 DR1166 INCHIKEY KJONHKAYOJNZEC-UHFFFAOYSA-N DR1166 DRUINCHI 1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19) DR1166 CASMILES C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3 DR1166 CAS__NUM CAS 146-22-5 DR1166 CHEBINUM 7581 DR1166 PUBCMSID 9690; 107320; 597368; 5055565; 5073767; 5081626; 6057695; 7847597; 7849647; 7980131; 8152775; 10508332; 11210457; 12326898; 14824476; 24897666; 29215277; 29223600; 46386691; 46505806; 47515481; 48211546; 48334666; 48416331; 49884256; 50086824; 50841107; 56313772; 57322305; 81093238; 85174552; 87467573; 87687912; 88194890; 92214795; 92308349; 92720560; 92729730; 103174569; 103931581; 104306604; 106801912; 115998634; 117378604; 124658968; 124813337; 125341242; 126619885; 126654716; 126667398 DR1167 DRUG__ID DR1167 DR1167 DRUGNAME BRN-0498823 DR1167 PUBCMCID 4507 DR1167 TTDRUGID D0A1DH DR1167 DFORMULA C18H20N2O6 DR1167 INCHIKEY PVHUJELLJLJGLN-UHFFFAOYSA-N DR1167 DRUINCHI 1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3 DR1167 CASMILES CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C DR1167 CAS__NUM CAS 39562-70-4 DR1167 CHEBINUM 7582 DR1167 PUBCMSID 9915; 855994; 5055566; 6014122; 7847695; 8152776; 10588972; 11120001; 11120489; 11120977; 11121464; 11121944; 11147084; 11342013; 11362196; 11362533; 11364838; 11365095; 11367400; 11367657; 11369962; 11370337; 11370338; 11371895; 11373258; 11374614; 11375819; 11378130; 11466944; 11468064; 11485206; 11486717; 11487598; 11489381; 11490783; 11492902; 11495715; 12013715; 14925926; 17405440; 24277857; 26612495; 26680401; 26719687; 26747121; 26751794; 26751795; 29223601; 46386549; 46508817 DR1168 DRUG__ID DR1168 DR1168 DRUGNAME Nitrofural DR1168 PUBCMCID 5447130 DR1168 TTDRUGID D0IE1E DR1168 DFORMULA C6H6N4O4 DR1168 INCHIKEY IAIWVQXQOWNYOU-FPYGCLRLSA-N DR1168 DRUINCHI 1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+ DR1168 CASMILES C1=C(OC(=C1)[N+](=O)[O-])C=NNC(=O)N DR1168 CAS__NUM CAS 59-87-0 DR1168 CHEBINUM 44368 DR1169 DRUG__ID DR1169 DR1169 DRUGNAME Nitrofurantoin DR1169 PUBCMCID 6604200 DR1169 TTDRUGID D0R0BX DR1169 DFORMULA C8H6N4O5 DR1169 INCHIKEY NXFQHRVNIOXGAQ-YCRREMRBSA-N DR1169 DRUINCHI 1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+ DR1169 CASMILES C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-] DR1169 CAS__NUM CAS 67-20-9 DR1169 CHEBINUM 71415 DR1169 PUBCMSID 9477; 603042; 3347076; 7847505; 7980134; 8139874; 8149444; 10321408; 10532352; 14749496; 17389788; 24640067;26611838; 26679707; 26747377; 43223979; 47425320; 47574396; 47796070; 47944823; 48170470; 48319506; 48394923; 48414143; 48416333; 48423850; 48425399; 49699064; 49855694; 50105610; 50105611; 50344367;53788524; 57288795; 57371029; 72200890; 81041227; 81093030; 85787883; 88313616; 92124245; 92125001; 92307346; 93166339; 99301312; 103179088; 103913903; 104170019; 106225506; 114637257 DR1170 DRUG__ID DR1170 DR1170 DRUGNAME AC1L9GJA DR1170 PUBCMCID 444567 DR1170 TTDRUGID D02MME DR1170 DFORMULA C10H13NO DR1170 INCHIKEY YYPINKULTUCCJA-VIFPVBQESA-N DR1170 DRUINCHI 1S/C10H13NO/c1-9(11(2)8-12)10-6-4-3-5-7-10/h3-9H,1-2H3/t9-/m0/s1 DR1170 CASMILES CC(C1=CC=CC=C1)N(C)C=O DR1170 PUBCMSID 7889848; 36887545; 46505666; 76860373; 104632410; 160967406 DR1171 DRUG__ID DR1171 DR1171 DRUGNAME Nomegestrol DR1171 PUBCMCID 68783 DR1171 DFORMULA C21H28O3 DR1171 INCHIKEY KZUIYQJTUIACIG-YBZCJVABSA-N DR1171 DRUINCHI 1S/C21H28O3/c1-12-10-18-16(15-5-4-14(23)11-17(12)15)6-8-20(3)19(18)7-9-21(20,24)13(2)22/h10-11,15-16,18-19,24H,4-9H2,1-3H3/t15-,16-,18-,19+,20+,21+/m1/s1 DR1171 CASMILES CC1=CC2C(CCC3(C2CCC3(C(=O)C)O)C)C4C1=CC(=O)CC4 DR1171 CAS__NUM CAS 58691-88-6 DR1171 CHEBINUM 135993 DR1173 DRUG__ID DR1173 DR1173 DRUGNAME Nordazepam DR1173 PUBCMCID 2997 DR1173 DFORMULA C15H11ClN2O DR1173 INCHIKEY AKPLHCDWDRPJGD-UHFFFAOYSA-N DR1173 DRUINCHI 1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19) DR1173 CASMILES C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3 DR1173 CAS__NUM CAS 1088-11-5 DR1173 CHEBINUM 111762 DR1176 DRUG__ID DR1176 DR1176 DRUGNAME Norfloxacin DR1176 PUBCMCID 4539 DR1176 TTDRUGID D0Q2PE DR1176 DFORMULA C16H18FN3O3 DR1176 INCHIKEY OGJPXUAPXNRGGI-UHFFFAOYSA-N DR1176 DRUINCHI 1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23) DR1176 CASMILES CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O DR1176 CAS__NUM CAS 70458-96-7 DR1176 CHEBINUM 100246 DR1176 PUBCMSID 8912; 597742; 855614; 3205552; 4712110; 7847277; 7980171; 8149451; 8152796; 10321598; 11112831; 11335259; 11360498; 11363911; 11366473; 11369035; 11371707; 11374005; 11377197; 11461470; 11466249; 11467369; 11484909; 11485918; 11488833; 11490340; 11492268; 11494831; 12013332; 14715876; 14874649; 26611845; 26680206; 26746929; 26746930; 29223630; 46508634; 47440088; 47440089; 47440090; 47515159; 47736303; 47736304; 47810598; 47959570; 47959571; 48034947; 49698389; 50042536; 50100528 DR1178 DRUG__ID DR1178 DR1178 DRUGNAME Norgestimate DR1178 PUBCMCID 6540478 DR1178 TTDRUGID D09QZI DR1178 DFORMULA C23H31NO3 DR1178 INCHIKEY KIQQMECNKUGGKA-NMYWJIRASA-N DR1178 DRUINCHI 1S/C23H31NO3/c1-4-22-12-10-19-18-9-7-17(24-26)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)27-15(3)25/h2,14,18-21,26H,4,6-13H2,1,3H3/b24-17+/t18-,19+,20+,21-,22-,23-/m0/s1 DR1178 CASMILES CCC12CCC3C(C1CCC2(C#C)OC(=O)C)CCC4=CC(=NO)CCC34 DR1178 CAS__NUM CAS 35189-28-7 DR1178 CHEBINUM 50815 DR1178 PUBCMSID 12013307; 14828760; 14877333; 23948292; 43185588; 46507381; 47206928; 49963131; 50125945; 50406385; 53787279; 56352967; 57370933; 92712530; 99375924; 103770917; 114617529; 126630090; 126656639; 126670754; 131311636; 134338450; 135000359; 135046943; 137002813; 141484503; 144206364; 152056974; 160964296; 162174921; 170464733; 175267643; 176250054; 179150362; 196110215; 223396532; 223556630; 223668437; 226423899; 226423900; 241064393; 249822572; 252062710; 252355235 DR1181 DRUG__ID DR1181 DR1181 DRUGNAME Nortriptyline hydrochloride DR1181 PUBCMCID 441358 DR1181 TTDRUGID D04WFD DR1181 DFORMULA C19H22ClN DR1181 INCHIKEY SHAYBENGXDALFF-UHFFFAOYSA-N DR1181 DRUINCHI 1S/C19H21N.ClH/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;/h2-5,7-11,20H,6,12-14H2,1H3;1H DR1181 CASMILES CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.Cl DR1181 CAS__NUM CAS 894-71-3 DR1181 CHEBINUM 7641 DR1183 DRUG__ID DR1183 DR1183 DRUGNAME Obeticholic acid DR1183 PUBCMCID 447715 DR1183 TTDRUGID D0M4WA DR1183 DFORMULA C26H44O4 DR1183 INCHIKEY ZXERDUOLZKYMJM-ZWECCWDJSA-N DR1183 DRUINCHI 1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1 DR1183 CASMILES CCC1C2CC(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCC(=O)O)C)C)O DR1183 CAS__NUM CAS 459789-99-2 DR1183 CHEBINUM 43602 DR1183 PUBCMSID 828938; 828951; 7886586; 7888489; 10300105; 14880306; 16101459; 17396626; 36889785; 46392814; 49700782; 53789454; 57404826; 76486275; 96026040; 103700141; 104638392; 123055342; 126680398; 135263637; 163122223; 175265866; 176236560; 178100437; 204383201; 219813737; 223670674; 224721644; 227005340; 251970994; 252300974; 252553933 DR1184 DRUG__ID DR1184 DR1184 DRUGNAME Octopamine DR1184 PUBCMCID 4581 DR1184 TTDRUGID D0L9YS DR1184 DFORMULA C8H11NO2 DR1184 INCHIKEY QHGUCRYDKWKLMG-UHFFFAOYSA-N DR1184 DRUINCHI 1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2 DR1184 CASMILES C1=CC(=CC=C1C(CN)O)O DR1184 CAS__NUM CAS 104-14-3 DR1184 CHEBINUM 17134 DR1184 PUBCMSID 3135840; 5025344; 8143689; 8152814; 11335420; 11360659; 11363095; 11365657; 11368219; 11371350; 11373803; 11376381; 11461631; 11466977; 11468097; 11483999; 11486813; 11488038; 11490091; 11492217; 11494015; 11537614; 15170928; 26753135; 29223670; 37218827; 47588883; 47588884; 47662158; 47736360; 47810641; 47959617; 47959618; 48110345; 48184885; 48184886; 48334371; 49698899; 49892630; 50105660; 53789379; 57322335; 78819223; 85278819; 89094976; 90341287; 92298134; 99774418; 103235782; 104171205 DR1185 DRUG__ID DR1185 DR1185 DRUGNAME MK-0822 DR1185 PUBCMCID 10152654 DR1185 TTDRUGID D0J6AU DR1185 DFORMULA C25H27F4N3O3S DR1185 INCHIKEY FWIVDMJALNEADT-SFTDATJTSA-N DR1185 DRUINCHI 1S/C25H27F4N3O3S/c1-23(2,26)14-20(22(33)32-24(15-30)12-13-24)31-21(25(27,28)29)18-6-4-16(5-7-18)17-8-10-19(11-9-17)36(3,34)35/h4-11,20-21,31H,12-14H2,1-3H3,(H,32,33)/t20-,21-/m0/s1 DR1185 CASMILES CC(C)(CC(C(=O)NC1(CC1)C#N)NC(C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F)F DR1185 CAS__NUM CAS 603139-19-1Topotecan DR1185 PUBCMSID 15144761; 22552176; 40136829; 77239026; 96025638; 99431578; 103609745; 104107486; 124759704; 126644892; 126671643; 135252258; 136024159; 136345874; 136367854; 137251867; 139992214; 144116308; 152040138; 152258027; 152258070; 152344369; 160646909; 162038064; 162205218; 164023439; 164210447; 170502111; 174006242; 178103092; 184823532; 198938642; 223386751; 223675719; 223704695; 223842901; 227700968; 242591563; 244396141; 251970964; 252160437 DR1186 DRUG__ID DR1186 DR1186 DRUGNAME Olanzapine DR1186 PUBCMCID 135398745 DR1186 TTDRUGID D0V4QS DR1186 DFORMULA C17H20N4S DR1186 INCHIKEY KVWDHTXUZHCGIO-UHFFFAOYSA-N DR1186 DRUINCHI 1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,18H,7-10H2,1-2H3 DR1186 CASMILES CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CCN(CC4)C DR1186 CAS__NUM CAS 132539-06-1 DR1186 CHEBINUM 7735 DR1186 PUBCMSID 9530; 591970; 816938; 5025348; 7847520; 7980183; 11528747; 12014657; 14923451; 25819934; 26612730; 26719852; 26750094; 29215187; 29215188; 29223674; 42684855; 46386668; 46507666; 48416347; 49665994; 49666419; 49681733; 49830782; 53788662; 56310909; 56312010; 56312820; 56352944; 57288797; 57322337; 77029366; 81092909; 85174531; 85209215; 85213702; 85753333; 89736112; 92307994; 92308375; 92308920; 92712529; 93166490; 93167156; 93618268; 99637141; 103195217; 103950390; 104253651; 104306829 DR1188 DRUG__ID DR1188 DR1188 DRUGNAME Olaparib DR1188 PUBCMCID 23725625 DR1188 TTDRUGID D0J9HW DR1188 DFORMULA C24H23FN4O3 DR1188 INCHIKEY FDLYAMZZIXQODN-UHFFFAOYSA-N DR1188 DRUINCHI 1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30) DR1188 CASMILES C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F DR1188 CAS__NUM CAS 763113-22-0 DR1188 CHEBINUM 83766 DR1188 PUBCMSID 47209066; 56053773; 57299275; 85197660; 93581006; 99436961; 103605183; 109692964; 117670453; 118049496; 121277945; 123051082; 124490470; 124756970; 124947876; 125163775; 125312522; 125415525; 126582065; 126626885; 126644879; 126664211; 126666996; 126738835; 131407195; 131465127; 134213960; 134222742; 134338825; 134339140; 134346179; 134964396; 135261055; 135697767; 135708109; 135723596; 135727477; 136368068; 136377786; 136895641; 136920280; 137005640; 137255348; 141853509; 143499369; 144115666; 152237700;152258100; 152344243; 160646939 DR1189 DRUG__ID DR1189 DR1189 DRUGNAME Oleandomycin DR1189 PUBCMCID 72493 DR1189 DFORMULA C35H61NO12 DR1189 INCHIKEY RZPAKFUAFGMUPI-QESOVKLGSA-N DR1189 DRUINCHI 1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35+/m0/s1 DR1189 CASMILES CC1CC(C(C(O1)OC2C(CC3(CO3)C(=O)C(C(C(C(OC(=O)C(C(C2C)OC4CC(C(C(O4)C)O)OC)C)C)C)O)C)C)O)N(C)C DR1189 CAS__NUM CAS 3922-90-5 DR1189 CHEBINUM 16869 DR1191 DRUG__ID DR1191 DR1191 DRUGNAME Olodaterol hydrochloride DR1191 PUBCMCID 11711522 DR1191 TTDRUGID D04UTT DR1191 DFORMULA C21H27ClN2O5 DR1191 INCHIKEY KCEHVJZZIGJAAW-FERBBOLQSA-N DR1191 DRUINCHI 1S/C21H26N2O5.ClH/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17;/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26);1H/t18-;/m0./s1 DR1191 CASMILES CC(C)(CC1=CC=C(C=C1)OC)NCC(C2=C3C(=CC(=C2)O)NC(=O)CO3)O.Cl DR1191 CAS__NUM CAS 869477-96-3 DR1191 CHEBINUM 91366 DR1192 DRUG__ID DR1192 DR1192 DRUGNAME Olopatadine DR1192 PUBCMCID 5281071 DR1192 TTDRUGID D05GPO DR1192 DFORMULA C21H23NO3 DR1192 INCHIKEY JBIMVDZLSHOPLA-LSCVHKIXSA-N DR1192 DRUINCHI 1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8- DR1192 CASMILES CN(C)CCC=C1C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)O DR1192 CAS__NUM CAS 113806-05-6 DR1192 CHEBINUM 94593 DR1192 PUBCMSID 9991; 8616501; 14851325; 39289993; 46506025; 49830421; 50064183; 50339892; 53788070; 57357997; 85209467; 92308886; 93166443; 96024980; 103916408; 113854504; 117867960; 118048374; 118313762; 124974068; 126682737; 131839756; 134338320; 135076611; 137005453; 137233305; 142121621; 160964111; 163669016; 170499432; 175266654; 175435402; 176484058; 176484854; 177749229; 178103823; 179149624; 179225235; 184623003; 223655359; 224131802; 226396615; 251916843; 251918082; 251960673; 252391226; 252429690; 252671957 DR1193 DRUG__ID DR1193 DR1193 DRUGNAME Ombitasvir DR1193 PUBCMCID 54767916 DR1193 TTDRUGID D0LF5Q DR1193 DFORMULA C50H67N7O8 DR1193 INCHIKEY PIDFDZJZLOTZTM-KHVQSSSXSA-N DR1193 DRUINCHI 1S/C50H67N7O8/c1-30(2)42(53-48(62)64-8)46(60)55-28-10-12-40(55)44(58)51-35-20-14-32(15-21-35)38-26-27-39(57(38)37-24-18-34(19-25-37)50(5,6)7)33-16-22-36(23-17-33)52-45(59)41-13-11-29-56(41)47(61)43(31(3)4)54-49(63)65-9/h14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,51,58)(H,52,59)(H,53,62)(H,54,63)/t38-,39-,40-,41-,42-,43-/m0/s1 DR1193 CASMILES CC(C)C(C(=O)N1CCCC1C(=O)NC2=CC=C(C=C2)C3CCC(N3C4=CC=C(C=C4)C(C)(C)C)C5=CC=C(C=C5)NC(=O)C6CCCN6C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC DR1193 CAS__NUM CAS 1258226-87-7 DR1193 CHEBINUM 85183 DR1194 DRUG__ID DR1194 DR1194 DRUGNAME Omega-3 Fatty acids DR1194 PUBCMCID 56842239 DR1194 TTDRUGID D0G7WY DR1194 DFORMULA C60H92O6 DR1194 INCHIKEY QPEOIOLHJXXJFN-GNGJDXFDSA-N DR1194 DRUINCHI 1S/C22H32O2.C20H30O2.C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24);3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22);3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-;4-3-,7-6-,10-9-,13-12-,16-15-;4-3-,7-6-,10-9- DR1194 CASMILES CCC=CCC=CCC=CCCCCCCCC(=O)O.CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O.CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O DR1194 PUBCMSID 53787907; 135264799 DR1195 DRUG__ID DR1195 DR1195 DRUGNAME Omega-6-FA DR1195 PUBCMCID 56842208 DR1195 DFORMULA C38H64O4 DR1195 INCHIKEY ZCDMRPMKAQLWAO-PZLFCYFRSA-N DR1195 DRUINCHI 1S/C20H32O2.C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22);6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-,16-15-;7-6-,10-9- DR1195 CASMILES CCCCCC=CCC=CCCCCCCCC(=O)O.CCCCCC=CCC=CCC=CCC=CCCCC(=O)O DR1196 DRUG__ID DR1196 DR1196 DRUGNAME Omeprazole DR1196 PUBCMCID 4594 DR1196 TTDRUGID D01XNB DR1196 DFORMULA C17H19N3O3S DR1196 INCHIKEY SUBDBMMJDZJVOS-UHFFFAOYSA-N DR1196 DRUINCHI 1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20) DR1196 CASMILES CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC DR1196 CAS__NUM CAS 73590-58-6 DR1196 CHEBINUM 7772 DR1196 PUBCMSID 9532; 640212; 855576; 3281991; 4696242; 5212304; 7847521; 7980199; 8152819; 10321754; 11112840; 11398365;11466521; 11467641; 11486042; 11528599; 12013167; 14753960; 14875946; 22391484; 24897870; 26751452; 26751453; 26759296; 29223683; 46386973; 46487906; 46509065; 47365309; 47589088; 47589089; 48035237;48170542; 48414255; 48416351; 49681572; 49698521; 49834935; 50100529; 50103932; 53788700; 56313300; 56313696; 56313928; 56422106; 57322340; 80295314; 81093370; 85174452; 85788870 DR1200 DRUG__ID DR1200 DR1200 DRUGNAME Ondansetron DR1200 PUBCMCID 4595 DR1200 TTDRUGID D0K7WK DR1200 DFORMULA C18H19N3O DR1200 INCHIKEY FELGMEQIXOGIFQ-UHFFFAOYSA-N DR1200 DRUINCHI 1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3 DR1200 CASMILES CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C DR1200 CAS__NUM CAS 99614-02-5 DR1200 CHEBINUM 7773 DR1200 PUBCMSID 9533; 3206266; 3966923; 4696243; 7847522; 7980201; 8152820; 11137931; 11427135; 11467086; 11468206; 11486674; 11501532; 14873468; 29223684; 46504819; 47389509; 47686452; 47686453; 47909550; 47909551; 47984334; 48416352; 49698991; 49835876; 49901808; 50064204; 50949003; 53787007; 57322341; 58007430; 85174434; 85209216; 85787808; 85788905; 92309152; 93624973; 103166621; 103915041; 104170204; 104225172; 104306859; 105146690; 121362488; 124579243; 124893606; 125324981; 125360632; 125814185; 126525328 DR1202 DRUG__ID DR1202 DR1202 DRUGNAME G-33040 DR1202 PUBCMCID 71587 DR1202 TTDRUGID D0D7TB DR1202 DFORMULA C23H31Cl2N3O DR1202 INCHIKEY DLTOEESOSYKJBK-UHFFFAOYSA-N DR1202 DRUINCHI 1S/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2 DR1202 CASMILES C1CN(CCN1CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)CCO.Cl.Cl DR1202 CAS__NUM CAS 909-39-7 DR1203 DRUG__ID DR1203 DR1203 DRUGNAME FT-0710230 DR1203 PUBCMCID 10347 DR1204 DRUG__ID DR1204 DR1204 DRUGNAME RO-7-0207 DR1204 PUBCMCID 28061 DR1204 TTDRUGID D0D0BE DR1204 DFORMULA C7H10ClN3O3 DR1204 INCHIKEY IPWKIXLWTCNBKN-UHFFFAOYSA-N DR1204 DRUINCHI 1S/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3 DR1204 CASMILES CC1=NC=C(N1CC(CCl)O)[N+](=O)[O-] DR1204 CAS__NUM CAS 16773-42-5 DR1204 CHEBINUM 75176 DR1207 DRUG__ID DR1207 DR1207 DRUGNAME Osimertinib DR1207 PUBCMCID 71496458 DR1207 TTDRUGID D0RT2C DR1207 DFORMULA C28H33N7O2 DR1207 INCHIKEY DUYJMQONPNNFPI-UHFFFAOYSA-N DR1207 DRUINCHI 1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) DR1207 CASMILES CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC DR1207 CAS__NUM CAS 1421373-65-0 DR1207 CHEBINUM 90943 DR1207 PUBCMSID 163477648; 182111940; 184525804; 184525822; 184525841; 184525860; 198967282; 210275341; 210280989; 223366052; 223370460; 223471425; 224657041; 226088106; 239637404; 242060364; 249735121; 249814472; 251910422; 252110297; 252151380; 252160935; 252214941; 252451374; 252551957; 252811262 DR1208 DRUG__ID DR1208 DR1208 DRUGNAME Ospemifene DR1208 PUBCMCID 3036505 DR1208 TTDRUGID D02CTS DR1208 DFORMULA C24H23ClO2 DR1208 INCHIKEY LUMKNAVTFCDUIE-VHXPQNKSSA-N DR1208 DRUINCHI 1S/C24H23ClO2/c25-16-15-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)21-11-13-22(14-12-21)27-18-17-26/h1-14,26H,15-18H2/b24-23- DR1208 CASMILES C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)OCCO)CCCl DR1208 CAS__NUM CAS 128607-22-7 DR1208 CHEBINUM 73275 DR1208 PUBCMSID 10048556; 12015426; 14804521; 36104653; 53788245; 57353466; 77768422; 96025641; 111641440; 135106463; 137013915; 142415636; 160708695; 162169319; 175267362; 175426911; 178103921; 179149775; 198991711; 201248858; 224253139; 227208701; 249583801; 251916528; 251917875; 252215972; 252430798; 252472856 DR1209 DRUG__ID DR1209 DR1209 DRUGNAME Otilonium DR1209 PUBCMCID 72093 DR1209 DFORMULA C29H43N2O4+ DR1209 INCHIKEY NQHNLNLJPDMBFN-UHFFFAOYSA-O DR1209 DRUINCHI 1S/C29H42N2O4/c1-5-8-9-10-11-14-22-34-27-16-13-12-15-26(27)28(32)30-25-19-17-24(18-20-25)29(33)35-23-21-31(4,6-2)7-3/h12-13,15-20H,5-11,14,21-23H2,1-4H3/p+1 DR1209 CASMILES CCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC[N+](C)(CC)CC DR1209 CAS__NUM CAS 105360-89-2 DR1209 CHEBINUM 135780 DR1210 DRUG__ID DR1210 DR1210 DRUGNAME Oxaliplatin DR1210 PUBCMCID 9887054 DR1210 TTDRUGID D0Y3ME DR1210 DFORMULA C8H14N2O4Pt DR1210 INCHIKEY ZROHGHOFXNOHSO-BNTLRKBRSA-L DR1210 DRUINCHI 1S/C6H14N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-6H,1-4,7-8H2;(H,3,4)(H,5,6);/q;;+2/p-2/t5-,6-;;/m1../s1 DR1210 CASMILES C1CCC(C(C1)N)N.C(=O)(C(=O)[O-])[O-].[Pt+2] DR1210 CAS__NUM CAS 61825-94-3 DR1210 CHEBINUM 90844 DR1210 PUBCMSID 7848852; 14854529; 14903423; 24173438; 45633994; 57373686; 78790585; 125309438; 127301221; 127301222; 127301223; 127301224; 127301225; 127301226; 127301227; 127301228; 127301229; 127301230; 127301231; 127301232; 127301233; 127301234; 127301235; 127301236; 127301237; 127301238; 127301239; 127301240; 127301241; 127301242; 127301243; 127301244; 127301245; 127301246; 135684119; 137001870; 152059544; 162036207; 164196639; 174477519; 226396770; 251885690; 252156659; 252316548 DR1211 DRUG__ID DR1211 DR1211 DRUGNAME Oxamniquine DR1211 PUBCMCID 4612 DR1211 TTDRUGID D0P4MT DR1211 DFORMULA C14H21N3O3 DR1211 INCHIKEY XCGYUJZMCCFSRP-UHFFFAOYSA-N DR1211 DRUINCHI 1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3 DR1211 CASMILES CC(C)NCC1CCC2=CC(=C(C=C2N1)[N+](=O)[O-])CO DR1211 CAS__NUM CAS 21738-42-1 DR1211 CHEBINUM 78416 DR1211 PUBCMSID 9548; 463879; 606338; 5396325; 7434785; 7847526; 7980212; 8152829; 11467054; 11468174; 11486808; 14799596; 22395920; 26665195; 29223701; 46508789; 48334689; 48416357; 50042967; 51780913; 57322349; 92126057; 103222043; 103914643; 104306910; 124799447; 126407963; 134222524; 134338262; 134994440; 137241860; 144204144; 160964430; 163077656; 178126512; 179149405; 223443758; 226429093; 241040351; 249935262 DR1212 DRUG__ID DR1212 DR1212 DRUGNAME Oxaprozin DR1212 PUBCMCID 4614 DR1212 TTDRUGID D0M9DC DR1212 DFORMULA C18H15NO3 DR1212 INCHIKEY OFPXSFXSNFPTHF-UHFFFAOYSA-N DR1212 DRUINCHI 1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21) DR1212 CASMILES C1=CC=C(C=C1)C2=C(OC(=N2)CCC(=O)O)C3=CC=CC=C3 DR1212 CAS__NUM CAS 21256-18-8 DR1212 CHEBINUM 7822 DR1212 PUBCMSID 9561; 224921; 455291; 3159337; 4254158; 7434787; 7847529; 7980214; 8141108; 8152831; 10320082; 11110656; 11110657; 11372015; 11374860; 11387071; 11407074; 11458222; 11460192; 11467088; 11468208; 11485388; 11486676; 11489512; 11490893; 11493045; 12013314; 14922602; 17405502; 24278617; 26534590; 26612863; 26652602; 26680054; 26719634; 26747622; 26747623; 29223703; 46386783; 46506429; 47216866; 47365302; 47515409; 47589083; 47810846; 47959863; 48185086; 49681726; 49699271; 50001218 DR1213 DRUG__ID DR1213 DR1213 DRUGNAME KW-4354 DR1213 PUBCMCID 4615 DR1213 TTDRUGID D0AJ5L DR1213 DFORMULA C27H30N4O DR1213 INCHIKEY BAINIUMDFURPJM-UHFFFAOYSA-N DR1213 DRUINCHI 1S/C27H30N4O/c32-27-28-24-14-7-8-15-25(24)31(27)17-9-16-29-18-20-30(21-19-29)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,26H,9,16-21H2,(H,28,32) DR1213 CASMILES C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C(C4=CC=CC=C4)C5=CC=CC=C5 DR1213 CAS__NUM CAS 60607-34-3 DR1213 CHEBINUM 31943 DR1213 PUBCMSID 454767; 855791; 3356790; 7434788; 7848836; 8076407; 8152832; 10589929; 11111579; 11171328; 12013337; 14782886; 17405482; 17447408; 24278615; 29223704; 47515476; 48259415; 49883312; 50100302; 50106789; 50106790; 53778030; 57322351; 78738974; 81093279; 85174443; 85231171; 89007468; 92304200; 92308943; 96099872; 103175665; 103928643; 104306919; 105054418; 124609729; 124799800; 124881005; 124881006; 125354189; 126685859; 127327792; 127327793; 127486604; 131320626; 134338621; 135260589; 137156392; 137260958 DR1214 DRUG__ID DR1214 DR1214 DRUGNAME Oxazepam DR1214 PUBCMCID 4616 DR1214 TTDRUGID D09LDR DR1214 DFORMULA C15H11ClN2O2 DR1214 INCHIKEY ADIMAYPTOBDMTL-UHFFFAOYSA-N DR1214 DRUINCHI 1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19) DR1214 CASMILES C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O DR1214 CAS__NUM CAS 604-75-1 DR1214 CHEBINUM 7823 DR1214 PUBCMSID 9563; 442236; 3249122; 5195891; 7847530; 7849644; 7980215; 8145938; 8150141; 8152833; 10529275; 11336161; 11361400; 11462372; 14848993; 24898014; 29215230; 29223705; 46506031; 47515395; 47959852; 48414263; 48416359; 48423875; 49854270; 49884181; 50775696; 53787011; 56311180; 57322352; 87689980; 99233239; 99302074; 103179009; 104306922; 124892098; 124892099; 125824328; 126671574; 127390117; 134337557; 134977280; 135343430; 136351131; 137089237; 137203466; 137261518; 140053015; 144205125; 144206372 DR1215 DRUG__ID DR1215 DR1215 DRUGNAME Oxiconazole DR1215 PUBCMCID 5353853 DR1215 TTDRUGID D04GYO DR1215 DFORMULA C18H13Cl4N3O DR1215 INCHIKEY QRJJEGAJXVEBNE-HKOYGPOVSA-N DR1215 DRUINCHI 1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18+ DR1215 CASMILES C1=CC(=C(C=C1Cl)Cl)CON=C(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl DR1215 CAS__NUM CAS 64211-46-7 DR1215 CHEBINUM 7825 DR1215 PUBCMSID 10274; 7980217; 14807454; 24591563; 39379767; 48319955; 50065009; 50122564; 50990349; 57361598; 71822671; 85787428; 92309111; 92711924; 93166843; 96025000; 103388855; 113909788; 124766357; 125312381; 126630392; 126685558; 134338444; 134609034; 135047656; 142043571; 152046181; 162175084; 172080024; 172861933; 175267699; 176484428; 179150842; 179225149; 223440376; 223555547; 223677529; 226420967; 230460673; 241114901; 252358864 DR1216 DRUG__ID DR1216 DR1216 DRUGNAME CCRIS-4201 DR1216 PUBCMCID 4631 DR1216 TTDRUGID D0X2MB DR1216 DFORMULA C15H23NO3 DR1216 INCHIKEY CEMAWMOMDPGJMB-UHFFFAOYSA-N DR1216 DRUINCHI 1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3 DR1216 CASMILES CC(C)NCC(COC1=CC=CC=C1OCC=C)O DR1216 CAS__NUM CAS 6452-71-7 DR1216 CHEBINUM 91704 DR1216 PUBCMSID 597348; 5204100; 7980224; 8152843; 10531628; 11467085; 11468205; 11486673; 14750338; 29223720; 46508996; 47217074; 47365481;47885676; 48110749; 49699389; 50022613; 50195457; 57322363; 81065509; 85220236; 85788907; 96025005; 103176474; 104098253; 104306967; 126428554; 127613395; 134337778; 134988108; 135048217; 135048218; 137111941; 142640337; 160964820; 163228832; 178103829; 179150852; 224791627; 226406507; 241041980; 241128481; 249934544 DR1217 DRUG__ID DR1217 DR1217 DRUGNAME Oxtriphylline DR1217 PUBCMCID 656652 DR1217 TTDRUGID D0B0SH DR1217 DFORMULA C12H21N5O3 DR1217 INCHIKEY SOELXOBIIIBLRJ-UHFFFAOYSA-M DR1217 DRUINCHI 1S/C7H8N4O2.C5H14NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-6(2,3)4-5-7/h3,12H,1-2H3;7H,4-5H2,1-3H3/q;+1/p-1 DR1217 CASMILES CN1C(=C2C(=NC=N2)N(C1=O)C)[O-].C[N+](C)(C)CCO DR1217 CAS__NUM CAS 4499-40-5 DR1219 DRUG__ID DR1219 DR1219 DRUGNAME Oxybutynin chloride DR1219 PUBCMCID 91505 DR1219 TTDRUGID D0R1DH DR1219 DFORMULA C22H32ClNO3 DR1219 INCHIKEY SWIJYDAEGSIQPZ-UHFFFAOYSA-N DR1219 DRUINCHI 1S/C22H31NO3.ClH/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20;/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3;1H DR1219 CASMILES CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.Cl DR1219 CAS__NUM CAS 1508-65-2 DR1219 CHEBINUM 7857 DR1221 DRUG__ID DR1221 DR1221 DRUGNAME Oxycodone hydrochloride DR1221 PUBCMCID 5462350 DR1221 TTDRUGID D07WPQ DR1221 DFORMULA C18H22ClNO4 DR1221 INCHIKEY MUZQPDBAOYKNLO-RKXJKUSZSA-N DR1221 DRUINCHI 1S/C18H21NO4.ClH/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10;/h3-4,13,16,21H,5-9H2,1-2H3;1H/t13-,16+,17+,18-;/m1./s1 DR1221 CASMILES CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O.Cl DR1221 CAS__NUM CAS 124-90-3 DR1221 CHEBINUM 7859 DR1224 DRUG__ID DR1224 DR1224 DRUGNAME Oxymetazoline DR1224 PUBCMCID 4636 DR1224 TTDRUGID D09EBS DR1224 DFORMULA C16H24N2O DR1224 INCHIKEY WYWIFABBXFUGLM-UHFFFAOYSA-N DR1224 DRUINCHI 1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18) DR1224 CASMILES CC1=CC(=C(C(=C1CC2=NCCN2)C)O)C(C)(C)C DR1224 CAS__NUM CAS 1491-59-4 DR1224 CHEBINUM 7862 DR1224 PUBCMSID 9567; 840961; 841971; 5214260; 7980233; 8152848; 10508603; 11111570; 11111571; 11113337; 11335742; 11360981; 11363945; 11366507; 11369069; 11371745; 11374047; 11377231; 11461953; 11466252; 11467372; 11484831; 11485924; 11488814; 11490349; 11492279; 11494865; 15221519; 26751491; 26751492; 29223725; 46505622; 47216754; 47365161; 47365162; 47440226; 47588971; 47810731; 47810732; 47959714; 47959715; 48110433; 49698392; 50005142; 50100299; 50104031; 50611492; 56313774; 57322367; 85209219 DR1225 DRUG__ID DR1225 DR1225 DRUGNAME Oxymetholone DR1225 PUBCMCID 5281034 DR1225 TTDRUGID D0Q6NZ DR1225 DFORMULA C21H32O3 DR1225 INCHIKEY ICMWWNHDUZJFDW-DHODBPELSA-N DR1225 DRUINCHI 1S/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12-/t14-,15+,16-,17-,19-,20-,21-/m0/s1 DR1225 CASMILES CC12CCC3C(C1CCC2(C)O)CCC4C3(CC(=CO)C(=O)C4)C DR1225 CAS__NUM CAS 434-07-1 DR1225 CHEBINUM 7864 DR1226 DRUG__ID DR1226 DR1226 DRUGNAME Oxymorphone DR1226 PUBCMCID 5284604 DR1226 TTDRUGID D02NSF DR1226 DFORMULA C17H19NO4 DR1226 INCHIKEY UQCNKQCJZOAFTQ-ISWURRPUSA-N DR1226 DRUINCHI 1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1 DR1226 CASMILES CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O DR1226 CAS__NUM CAS 76-41-5 DR1226 CHEBINUM 7865 DR1226 PUBCMSID 10219; 81989; 841905; 11039374; 14751763; 14898432; 39317908; 46505296; 48416368; 50523562; 57359138; 92714667; 96025010; 103250876;103916122; 118046192; 126629458; 129404545; 134223676; 134338383; 134971543; 137003774; 139076556; 152101651; 160964525; 162224633; 175267332; 178103672; 179117107; 210279774; 210282097; 223440572; 223822210; 226395721; 252355643 DR1227 DRUG__ID DR1227 DR1227 DRUGNAME Paclitaxel DR1227 PUBCMCID 36314 DR1227 TTDRUGID D0E2RD DR1227 DFORMULA C47H51NO14 DR1227 INCHIKEY RCINICONZNJXQF-MZXODVADSA-N DR1227 DRUINCHI 1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1 DR1227 CASMILES CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C DR1227 CAS__NUM CAS 33069-62-4 DR1227 CHEBINUM 45863 DR1229 DRUG__ID DR1229 DR1229 DRUGNAME Palbociclib DR1229 PUBCMCID 5330286 DR1229 TTDRUGID D00UZR DR1229 DFORMULA C24H29N7O2 DR1229 INCHIKEY AHJRHEGDXFFMBM-UHFFFAOYSA-N DR1229 DRUINCHI 1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) DR1229 CASMILES CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C DR1229 CAS__NUM CAS 571190-30-2 DR1229 CHEBINUM 85993 DR1229 PUBCMSID 8035907; 11062094; 11538604; 12015755; 14808444; 17137183; 39302900; 46394060; 57361299; 78833389; 99436913; 103461613; 103905660; 103905661; 113915142; 121280258; 124360805; 124757012; 125164718; 126580155; 126671645; 126737419; 131480762; 134339015; 134339302; 134339471; 134964422; 135262045; 135686212; 135686213; 135686228; 135686229; 136367313; 136367838; 136920362; 137184856; 137275973; 141483504; 143498887; 144116345; 152240013; 152258827; 152344089; 160647678; 162202562; 164045126; 172232465; 172919351; 177748911; 178103952 DR1230 DRUG__ID DR1230 DR1230 DRUGNAME Paliperidone DR1230 PUBCMCID 115237 DR1230 TTDRUGID D0B3UJ DR1230 DFORMULA C23H27FN4O3 DR1230 INCHIKEY PMXMIIMHBWHSKN-UHFFFAOYSA-N DR1230 DRUINCHI 1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3 DR1230 CASMILES CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F DR1230 CAS__NUM CAS 199739-10-1 DR1230 CHEBINUM 83804 DR1230 PUBCMSID 10236700; 14905143; 22395187; 29296762; 46506296; 47207025; 50035150; 51002222; 57339070; 85229944; 85246150; 90341688; 92719038; 92729808; 103604037; 103910909; 104105311; 104397925; 118046559; 121361150; 125307525; 125341102; 126584511; 126621140; 126649064; 126650388; 126667060; 128939139; 131465791; 131549340; 134338126; 135072932; 136367845; 137166111; 142528484; 144116334; 152258953; 152344196; 160647798; 160810375; 160964597; 162185890; 163088563; 163371020; 163564516; 163981461; 164175255; 164785605; 170501956; 171063034 DR1232 DRUG__ID DR1232 DR1232 DRUGNAME Palonosetron hydrochloride DR1232 PUBCMCID 6918303 DR1232 TTDRUGID D04FVU DR1232 DFORMULA C19H25ClN2O DR1232 INCHIKEY OLDRWYVIKMSFFB-SSPJITILSA-N DR1232 DRUINCHI 1S/C19H24N2O.ClH/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20;/h2,4,6,13,15,17H,1,3,5,7-12H2;1H/t15-,17-;/m1./s1 DR1232 CASMILES C1CC2CN(C(=O)C3=CC=CC(=C23)C1)C4CN5CCC4CC5.Cl DR1232 CAS__NUM CAS 135729-62-3 DR1232 CHEBINUM 85157 DR1234 DRUG__ID DR1234 DR1234 DRUGNAME Panobinostat lactate DR1234 PUBCMCID 23725423 DR1234 TTDRUGID D0E3SH DR1234 DFORMULA C24H29N3O5 DR1234 INCHIKEY XVDWNSFFSMWXJJ-ASTDGNLGSA-N DR1234 DRUINCHI 1S/C21H23N3O2.C3H6O3/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26;1-2(4)3(5)6/h2-11,22-23,26H,12-14H2,1H3,(H,24,25);2,4H,1H3,(H,5,6)/b11-10+; DR1234 CASMILES CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)C=CC(=O)NO.CC(C(=O)O)O DR1234 CAS__NUM CAS 960055-56-5 DR1234 CHEBINUM 85991 DR1236 DRUG__ID DR1236 DR1236 DRUGNAME Pantoprazole sodium DR1236 PUBCMCID 15008962 DR1236 TTDRUGID D0T6XX DR1236 DFORMULA C16H14F2N3NaO4S DR1236 INCHIKEY YNWDKZIIWCEDEE-UHFFFAOYSA-N DR1236 DRUINCHI 1S/C16H14F2N3O4S.Na/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16;/h3-7,15H,8H2,1-2H3;/q-1;+1 DR1236 CASMILES COC1=C(C(=NC=C1)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC(F)F)OC.[Na+] DR1236 CAS__NUM CAS 138786-67-1 DR1236 CHEBINUM 50270 DR1238 DRUG__ID DR1238 DR1238 DRUGNAME ANW-56373 DR1238 PUBCMCID 69643318 DR1238 TTDRUGID D0P9EA DR1238 DFORMULA C12H24O6 DR1238 INCHIKEY HZNQDVRGURVIGV-UHFFFAOYSA-N DR1238 DRUINCHI 1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3 DR1238 CASMILES CC1OC(C)OC(C)O1 DR1239 DRUG__ID DR1239 DR1239 DRUGNAME Paramethadione DR1239 PUBCMCID 8280 DR1239 TTDRUGID D09JBP DR1239 DFORMULA C7H11NO3 DR1239 INCHIKEY VQASKUSHBVDKGU-UHFFFAOYSA-N DR1239 DRUINCHI 1S/C7H11NO3/c1-4-7(2)5(9)8(3)6(10)11-7/h4H2,1-3H3 DR1239 CASMILES CCC1(C(=O)N(C(=O)O1)C)C DR1239 CAS__NUM CAS 115-67-3 DR1239 CHEBINUM 7921 DR1239 PUBCMSID 9615; 7784768; 7847561; 8155802; 10504554; 15170974; 29226988; 46509173; 48416379; 50001336; 51133638; 57324899; 103304186; 104317402; 121362245; 124894455; 126666661; 127339772; 127339773; 127339774; 127339775; 132522418; 134224198; 134338502; 134975033; 135374153; 135904528; 137101269; 139640761; 142319575; 144076322; 160963962; 163263663; 175611118; 176262004; 177513112; 178103835; 179225306; 223440591; 223655529; 226421236; 249907748 DR1240 DRUG__ID DR1240 DR1240 DRUGNAME Paramethasone DR1240 PUBCMCID 5875 DR1240 TTDRUGID D03IKT DR1240 DFORMULA C22H29FO5 DR1240 INCHIKEY MKPDWECBUAZOHP-AFYJWTTESA-N DR1240 DRUINCHI 1S/C22H29FO5/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-20(15,2)19(13)17(26)9-21(14,3)22(11,28)18(27)10-24/h4-5,7,11,13-14,16-17,19,24,26,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20+,21+,22+/m1/s1 DR1240 CASMILES CC1CC2C3CC(C4=CC(=O)C=CC4(C3C(CC2(C1(C(=O)CO)O)C)O)C)F DR1240 CAS__NUM CAS 53-33-8 DR1240 CHEBINUM 7922 DR1240 PUBCMSID 9617; 7980251; 8153630; 14805315; 29224902; 46504651; 48416380; 50064864; 50465193; 57323008; 96024431; 103589742; 104310501; 126665814; 127307276; 134222135; 134337718; 134971016; 136062799; 137005255; 160964662; 179316245; 184548300; 198940543; 223440592; 223672701; 226396369; 241093244 DR1241 DRUG__ID DR1241 DR1241 DRUGNAME Paraoxon DR1241 PUBCMCID 9395 DR1241 TTDRUGID D08XQI DR1241 DFORMULA C10H14NO6P DR1241 INCHIKEY WYMSBXTXOHUIGT-UHFFFAOYSA-N DR1241 DRUINCHI 1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3 DR1241 CASMILES CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-] DR1241 CAS__NUM CAS 311-45-5 DR1241 CHEBINUM 27827 DR1242 DRUG__ID DR1242 DR1242 DRUGNAME Parecoxib DR1242 PUBCMCID 119828 DR1242 TTDRUGID D05UWI DR1242 DFORMULA C19H18N2O4S DR1242 INCHIKEY TZRHLKRLEZJVIJ-UHFFFAOYSA-N DR1242 DRUINCHI 1S/C19H18N2O4S/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22) DR1242 CASMILES CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C DR1242 CAS__NUM CAS 198470-84-7 DR1242 CHEBINUM 73038 DR1242 PUBCMSID 10238678; 14828797; 17397807; 29300637; 49829565; 50067919; 76546468; 99444910; 104236927; 104409301; 129337106; 135076077;137039042; 137244309; 142086609; 160969477; 162169241; 174528197; 177749133; 178100244; 179225992; 198980232; 210275621; 210281280; 211536041; 223794316; 226400424; 249867344; 252553762 DR1245 DRUG__ID DR1245 DR1245 DRUGNAME Paroxetine hydrochloride DR1245 PUBCMCID 62878 DR1245 TTDRUGID D06GDY DR1245 DFORMULA C19H21ClFNO3 DR1245 INCHIKEY GELRVIPPMNMYGS-RVXRQPKJSA-N DR1245 DRUINCHI 1S/C19H20FNO3.ClH/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;/h1-6,9,14,17,21H,7-8,10-12H2;1H/t14-,17-;/m0./s1 DR1245 CASMILES C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.Cl DR1245 CAS__NUM CAS 78246-49-8 DR1245 CHEBINUM 7944 DR1248 DRUG__ID DR1248 DR1248 DRUGNAME Pazopanib DR1248 PUBCMCID 10113978 DR1248 DFORMULA C21H23N7O2S DR1248 INCHIKEY CUIHSIWYWATEQL-UHFFFAOYSA-N DR1248 DRUINCHI 1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25) DR1248 CASMILES CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N DR1248 CAS__NUM CAS 444731-52-6 DR1248 CHEBINUM 71219 DR1249 DRUG__ID DR1249 DR1249 DRUGNAME Penbutolol DR1249 PUBCMCID 37464 DR1249 TTDRUGID D0W8SB DR1249 DFORMULA C18H29NO2 DR1249 INCHIKEY KQXKVJAGOJTNJS-HNNXBMFYSA-N DR1249 DRUINCHI 1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3/t15-/m0/s1 DR1249 CASMILES CC(C)(C)NCC(COC1=CC=CC=C1C2CCCC2)O DR1249 CAS__NUM CAS 36507-48-9 DR1249 CHEBINUM 7954 DR1249 PUBCMSID 9620; 8175027; 15902888; 34678763; 46504929; 47291267; 47589134; 48416387; 50022970; 50064728; 57312048; 77621769; 96024764;103293389; 103400617; 104326642; 117556859; 124954107; 128421871; 134223256; 134338213; 134999314; 135049302; 137001394; 142047536; 160964648; 175266991; 178103837; 179150414; 223440604; 226426442 DR1250 DRUG__ID DR1250 DR1250 DRUGNAME NCI-C55743 DR1250 PUBCMCID 6518 DR1250 TTDRUGID D0W9TE DR1250 DFORMULA C5H8N4O12 DR1250 INCHIKEY TZRXHJWUDPFEEY-UHFFFAOYSA-N DR1250 DRUINCHI 1S/C5H8N4O12/c10-6(11)18-1-5(2-19-7(12)13,3-20-8(14)15)4-21-9(16)17/h1-4H2 DR1250 CASMILES C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-] DR1250 CAS__NUM CAS 78-11-5 DR1250 CHEBINUM 25879 DR1252 DRUG__ID DR1252 DR1252 DRUGNAME Pentamidine isethionate DR1252 PUBCMCID 8813 DR1252 TTDRUGID D05EAM DR1252 DFORMULA C23H36N4O10S2 DR1252 INCHIKEY YBVNFKZSMZGRAD-UHFFFAOYSA-N DR1252 DRUINCHI 1S/C19H24N4O2.2C2H6O4S/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23;2*3-1-2-7(4,5)6/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23);2*3H,1-2H2,(H,4,5,6) DR1252 CASMILES C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O DR1252 CAS__NUM CAS 140-64-7 DR1252 CHEBINUM 7977 DR1253 DRUG__ID DR1253 DR1253 DRUGNAME Pentifylline DR1253 PUBCMCID 70569 DR1253 DFORMULA C13H20N4O2 DR1253 INCHIKEY MRWQRJMESRRJJB-UHFFFAOYSA-N DR1253 DRUINCHI 1S/C13H20N4O2/c1-4-5-6-7-8-17-12(18)10-11(14-9-15(10)2)16(3)13(17)19/h9H,4-8H2,1-3H3 DR1253 CASMILES CCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C DR1253 CAS__NUM CAS 1028-33-7 DR1253 CHEBINUM 135091 DR1254 DRUG__ID DR1254 DR1254 DRUGNAME Pentobarbital DR1254 PUBCMCID 4737 DR1254 TTDRUGID D0F0YZ DR1254 DFORMULA C11H18N2O3 DR1254 INCHIKEY WEXRUCMBJFQVBZ-UHFFFAOYSA-N DR1254 DRUINCHI 1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16) DR1254 CASMILES CCCC(C)C1(C(=O)NC(=O)NC1=O)CC DR1254 CAS__NUM CAS 76-74-4 DR1254 CHEBINUM 7983 DR1254 PUBCMSID 9626; 88629; 4875675; 7687719; 7847565; 8150116; 8152908; 10535336; 11336167; 11361406; 11364680; 11367242; 11369804; 11372904; 11374147; 11377967; 11462378; 11485937; 11489807; 11491598; 11492389; 11495597; 11533361; 15196098; 26612988; 26679656; 26750091; 29223823; 46508399; 47291210; 47440355; 47813402; 47885494; 48187638; 48416394; 49874341; 50107805; 53788844; 56313777; 57322422; 79087870; 92308182; 99302080; 103165831; 103858250; 103952389; 104307283; 104826284; 117425382; 124637312 DR1255 DRUG__ID DR1255 DR1255 DRUGNAME Pentoxifylline DR1255 PUBCMCID 4740 DR1255 TTDRUGID D09QEI DR1255 DFORMULA C13H18N4O3 DR1255 INCHIKEY BYPFEZZEUUWMEJ-UHFFFAOYSA-N DR1255 DRUINCHI 1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 DR1255 CASMILES CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C DR1255 CAS__NUM CAS 6493-05-6 DR1255 CHEBINUM 7986 DR1255 PUBCMSID 9628; 498489; 597360; 857899; 1916632; 3153146; 7703125; 7847567; 7889976; 8026211; 8150006; 8152909; 10321577; 10531727; 10589689; 11111613; 11111614; 11335904; 11361143; 11364338; 11366900; 11369462; 11373038; 11374032; 11377624; 11462115; 11466224; 11467344; 11484957; 11485808; 11488997; 11491635; 11492042; 11495258; 14799544; 17405494; 25623640; 26538474; 26612497; 26679957; 26719692; 26747196; 26747197; 26759331; 29223826; 46386861; 46393770; 46505940; 46511426; 47216797 DR1256 DRUG__ID DR1256 DR1256 DRUGNAME Perampanel DR1256 PUBCMCID 9924495 DR1256 TTDRUGID D0U3ED DR1256 DFORMULA C23H15N3O DR1256 INCHIKEY PRMWGUBFXWROHD-UHFFFAOYSA-N DR1256 DRUINCHI 1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H DR1256 CASMILES C1=CC=C(C=C1)N2C=C(C=C(C2=O)C3=CC=CC=C3C#N)C4=CC=CC=N4 DR1256 CAS__NUM CAS 380917-97-5 DR1256 CHEBINUM 71013 DR1256 PUBCMSID 14896254; 24201162; 46046112; 78829933; 96025647; 104179157; 104240302; 135253308; 136349971; 137069512; 140744775; 160646231; 162168968; 162223172; 162509113; 163620812; 163686138; 175268698; 178103629; 186014849; 187071926; 218903093; 223701414; 223850914; 226087529; 226553205; 244259846; 249858958; 250224845; 252069089; 252216026; 252437024; 252451824; 252480440 DR1258 DRUG__ID DR1258 DR1258 DRUGNAME Perazine DR1258 PUBCMCID 6444542 DR1258 TTDRUGID D07JWT DR1258 DFORMULA C24H29N3O4S DR1258 INCHIKEY UASWVXBJEDDYKU-WLHGVMLRSA-N DR1258 DRUINCHI 1S/C20H25N3S/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3 DR1258 CASMILES CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42.C(=CC(=O)O)C(=O)O DR1258 CAS__NUM CAS 6002-77-3 DR1260 DRUG__ID DR1260 DR1260 DRUGNAME WSM-3978G DR1260 PUBCMCID 4746 DR1260 TTDRUGID D00SBN DR1260 DFORMULA C19H35N DR1260 INCHIKEY CYXKNKQEMFBLER-UHFFFAOYSA-N DR1260 DRUINCHI 1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2 DR1260 CASMILES C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3 DR1260 CAS__NUM CAS 6621-47-2 DR1260 CHEBINUM 35553 DR1260 PUBCMSID 7703131; 8152912; 10532068; 11335717; 11360956; 11362767; 11365329; 11367891; 11372717; 11373824; 11376053; 11461928; 11466314; 11467434; 11485094; 11486147; 11489355; 11491394; 11491988; 11493827; 11533619; 14848632; 29223832; 46504471; 47588963; 47588964; 47662249; 47810720; 47810721; 47810722; 47885377; 48184966; 48416398; 49698937; 50065034; 53788212; 57288805; 78120409; 96025027; 103274161; 103858531; 104011326; 104307310; 124883588; 125823713; 127697988; 134338231; 134988277; 135265378; 135266783 DR1262 DRUG__ID DR1262 DR1262 DRUGNAME Permethrin DR1262 PUBCMCID 40326 DR1262 TTDRUGID D0K8MP DR1262 DFORMULA C21H20Cl2O3 DR1262 INCHIKEY RLLPVAHGXHCWKJ-UHFFFAOYSA-N DR1262 DRUINCHI 1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3 DR1262 CASMILES CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C DR1262 CAS__NUM CAS 52645-53-1 DR1262 CHEBINUM 34911 DR1262 PUBCMSID 5646900; 8176555; 10525033; 10525292; 10526594; 14854178; 17395388; 24868001; 24869115; 24869349; 24871630; 24899290; 26675675; 26754479; 26754481; 26754482; 26754483; 26754484; 29215320; 29215321; 34706112; 46505374; 47207113; 48415484; 48421679; 48425983; 49833360; 49959692; 49959696; 50109850; 56310674; 56312325; 56314259; 57260102; 57260103; 57288423; 57312421; 57650455; 57650562; 74717839; 85088539; 85189547; 91696064; 103559256; 104334065; 117452446; 118783839; 121362319; 124800250; 124892140 DR1263 DRUG__ID DR1263 DR1263 DRUGNAME M-813 DR1263 PUBCMCID 115368 DR1263 TTDRUGID D0F6GV DR1263 DFORMULA C23H30N4O2S DR1263 INCHIKEY FBVFZWUMDDXLLG-HDICACEKSA-N DR1263 DRUINCHI 1S/C23H30N4O2S/c28-22-17-7-1-2-8-18(17)23(29)27(22)12-6-5-11-25-13-15-26(16-14-25)21-19-9-3-4-10-20(19)30-24-21/h3-4,9-10,17-18H,1-2,5-8,11-16H2/t17-,18+ DR1263 CASMILES C1CCC2C(C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54 DR1263 CAS__NUM CAS 150915-41-6 DR1263 CHEBINUM 94777 DR1263 PUBCMSID 10236756; 14880639; 14880640; 26757988; 29296855; 57339138; 78381043; 104398210; 131275787; 131299841; 135107371; 139230895; 162181143; 175612202; 179149778; 184664953; 188932357; 198937425; 206246150; 223365892; 223573613; 226492169; 252355842; 252355843; 252432375; 252818162 DR1264 DRUG__ID DR1264 DR1264 DRUGNAME Perphenazine DR1264 PUBCMCID 4748 DR1264 TTDRUGID D02HED DR1264 DFORMULA C21H26ClN3OS DR1264 INCHIKEY RGCVKNLCSQQDEP-UHFFFAOYSA-N DR1264 DRUINCHI 1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2 DR1264 CASMILES C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO DR1264 CAS__NUM CAS 58-39-9 DR1264 CHEBINUM 8028 DR1264 PUBCMSID 9631; 431795; 597373; 856006; 7703589; 7847569; 7980283; 8150080; 8152914; 10321518; 10528270; 10589046; 11111645; 11111646; 11336055; 11361294; 11364504; 11367066; 11369628; 11371696; 11374583; 11377790; 11462266; 11466153; 11467273; 11485339; 11485845; 11489418; 11490574; 11492658; 11495424; 12013414; 14903848; 17405488; 24262990; 24278642; 24362495; 24434791; 25676887; 26612555; 26680605; 26747080; 26747081; 29223834; 46507058; 47216833; 47291190; 47440321; 47440322; 47662342 DR1269 DRUG__ID DR1269 DR1269 DRUGNAME Pexidartinib DR1269 PUBCMCID 25151352 DR1269 TTDRUGID D0O2AW DR1269 DFORMULA C20H15ClF3N5 DR1269 INCHIKEY JGWRKYUXBBNENE-UHFFFAOYSA-N DR1269 DRUINCHI 1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29) DR1269 CASMILES C1=CC(=NC=C1CC2=CNC3=C2C=C(C=N3)Cl)NCC4=CN=C(C=C4)C(F)(F)F DR1269 CAS__NUM CAS 1029044-16-3 DR1269 CHEBINUM 145373 DR1270 DRUG__ID DR1270 DR1270 DRUGNAME Phenacetin DR1270 PUBCMCID 4754 DR1270 TTDRUGID D0O2IE DR1270 DFORMULA C10H13NO2 DR1270 INCHIKEY CPJSUEIXXCENMM-UHFFFAOYSA-N DR1270 DRUINCHI 1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12) DR1270 CASMILES CCOC1=CC=C(C=C1)NC(=O)C DR1270 CAS__NUM CAS 62-44-2 DR1270 CHEBINUM 8050 DR1270 PUBCMSID 9793; 73483; 841972; 3139201; 3724298; 7348354; 7847635; 8147859; 8149602; 8152917; 10321803; 10530552; 11112166; 11335755; 11360994; 11363676; 11366238; 11368800; 11372367; 11374228; 11376962; 11461966; 11466561; 11467681; 11485715; 11486202; 11489756; 11491219; 11492330; 11494596; 12016023; 14748329; 16962413; 17389770; 22388565; 24858936; 24887192; 24890660; 26611996; 26679408; 26747350; 26747351; 26752986; 26752987; 29223838; 36018734; 46507394; 47440229; 47959721; 48035093 DR1272 DRUG__ID DR1272 DR1272 DRUGNAME Phenelzine DR1272 PUBCMCID 3675 DR1272 TTDRUGID D0P9AC DR1272 DFORMULA C8H12N2 DR1272 INCHIKEY RMUCZJUITONUFY-UHFFFAOYSA-N DR1272 DRUINCHI 1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2 DR1272 CASMILES C1=CC=C(C=C1)CCNN DR1272 CAS__NUM CAS 51-71-8 DR1272 CHEBINUM 8060 DR1272 PUBCMSID 9634; 5152742; 8152321; 10524963; 11111653; 11111654; 11335237; 11360476; 11363745; 11364679; 11366307; 11367241; 11368869; 11369803; 11371693; 11372844; 11374089; 11375403; 11377031; 11377966; 11461448; 11466198; 11467318; 11484873; 11485696; 11488825; 11490493; 11492290; 11494665; 15297289; 29222798; 46507348; 47291290; 47365378; 47440429; 47440430; 47515488; 47589153; 47589154; 47662481; 47885575; 48334681; 49698876; 49977970; 50111200; 53787015; 57321933; 74503885; 85789353; 90341694 DR1273 DRUG__ID DR1273 DR1273 DRUGNAME Phenformin DR1273 PUBCMCID 8249 DR1273 TTDRUGID D07XPE DR1273 DFORMULA C10H15N5 DR1273 INCHIKEY ICFJFFQQTFMIBG-UHFFFAOYSA-N DR1273 DRUINCHI 1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15) DR1273 CASMILES C1=CC=C(C=C1)CCN=C(N)N=C(N)N DR1273 CAS__NUM CAS 114-86-3 DR1273 CHEBINUM 8064 DR1273 PUBCMSID 9875; 615911; 4583360; 10504499; 11112448; 11364804; 11367366; 11369928; 11372968; 11375528; 11378095;11466207; 11467327; 11485734; 14773187; 29226965; 46505230; 47217161; 47736859; 47811132; 47960115; 47960116; 48416408; 49698378; 49854764; 50100445; 57288470; 57324876; 78063341; 85787916; 88835501;94569120; 96025038; 99452969; 103426218; 104098499; 104317320; 117524452; 117879477; 124882390; 124882391; 124882392; 125325517; 125823034; 126687817; 128146967; 131850042; 134223094; 134337521; 134974542 DR1275 DRUG__ID DR1275 DR1275 DRUGNAME Phenobarbital DR1275 PUBCMCID 4763 DR1275 TTDRUGID D0Y7RW DR1275 DFORMULA C12H12N2O3 DR1275 INCHIKEY DDBREPKUVSBGFI-UHFFFAOYSA-N DR1275 DRUINCHI 1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17) DR1275 CASMILES CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2 DR1275 CAS__NUM CAS 50-06-6 DR1275 CHEBINUM 8069 DR1275 PUBCMSID 9638; 75216; 419552; 590135; 607900; 4437710; 7538915; 7847572; 7980291; 8150142; 8152924; 10524254; 10589109; 11109645; 11336162; 11361401; 11462373; 11533360; 14822944; 24898226; 29215458; 29215459; 29223847; 46505776; 47365286; 48334587; 48414299; 48414897; 48416415; 48423927; 49854358; 50754225; 51087546; 53786889; 56310640; 56310993; 56312250; 56312902; 56313381; 56313456; 56313891; 56314430; 56314439; 56314440; 57288737; 85174399; 93167079; 99302075; 103165722; 103932141 DR1276 DRUG__ID DR1276 DR1276 DRUGNAME ENT-1814 DR1276 PUBCMCID 996 DR1276 TTDRUGID D0L6HN DR1276 DFORMULA C6H6O DR1276 INCHIKEY ISWSIDIOOBJBQZ-UHFFFAOYSA-N DR1276 DRUINCHI 1S/C14H9Cl5O2/c15-7-1-3-11(20)9(5-7)13(14(17,18)19)10-6-8(16)2-4-12(10)21/h1-6,13,20-21H DR1276 CASMILES C1=CC(=C(C=C1Cl)C(C2=C(C=CC(=C2)Cl)O)C(Cl)(Cl)Cl)O DR1276 CAS__NUM CAS 108-95-2 DR1276 CHEBINUM 15882 DR1277 DRUG__ID DR1277 DR1277 DRUGNAME Phenolphthalein DR1277 PUBCMCID 4764 DR1277 TTDRUGID D03FDT DR1277 DFORMULA C20H14O4 DR1277 INCHIKEY KJFMBFZCATUALV-UHFFFAOYSA-N DR1277 DRUINCHI 1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H DR1277 CASMILES C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O DR1277 CAS__NUM CAS 77-09-8 DR1277 CHEBINUM 34914 DR1279 DRUG__ID DR1279 DR1279 DRUGNAME Phenprocoumon DR1279 PUBCMCID 54680692 DR1279 TTDRUGID D0QV5T DR1279 DFORMULA C18H16O3 DR1279 INCHIKEY DQDAYGNAKTZFIW-UHFFFAOYSA-N DR1279 DRUINCHI 1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3 DR1279 CASMILES CCC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O DR1279 CAS__NUM CAS 435-97-2 DR1279 CHEBINUM 50438 DR1279 PUBCMSID 612021; 7845703; 7980293; 8030662; 10522853; 14848717; 29228465; 42684251; 46506423; 47207126; 47815891; 48416418; 49956264; 56394971; 57309600; 57325861; 76965160; 93302774; 103179879; 103950577; 104253508; 104321863; 106673762; 125823525; 126658557; 127770897; 134338056; 134974499; 135692445; 137126448; 137239431; 142971044; 160964285; 162011455; 162224643; 162652374; 163418248; 164042860; 174529392; 176262013; 178103445; 179326620; 184545898; 186014484; 198993025; 219400682; 223670210; 223705291; 226427577; 227840593 DR1280 DRUG__ID DR1280 DR1280 DRUGNAME Phentermine DR1280 PUBCMCID 4771 DR1280 TTDRUGID D0U0RZ DR1280 DFORMULA C10H15N DR1280 INCHIKEY DHHVAGZRUROJKS-UHFFFAOYSA-N DR1280 DRUINCHI 1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3 DR1280 CASMILES CC(C)(CC1=CC=CC=C1)N DR1280 CAS__NUM CAS 122-09-8 DR1280 CHEBINUM 8080 DR1280 PUBCMSID 9642; 3222908; 4448495; 7980294; 8152931; 10505791; 15194700; 29223855; 43997956; 46508515; 47207127; 48416420; 49760715; 50004323; 50139243; 50429715; 57322442; 92307866; 103589701; 104101988; 104307379; 108670465; 119523660; 125309124; 126540999; 127734846; 134223805; 134338007; 134339372; 134973544; 137001247; 140204802; 144075901; 160963539; 163138806; 164205807; 170505704; 175266408; 176325847; 178103843; 179095233; 184574182; 184823557; 223787896; 226414425; 243694279; 249924131; 252324490 DR1281 DRUG__ID DR1281 DR1281 DRUGNAME Phenylbutazone DR1281 PUBCMCID 4781 DR1281 TTDRUGID D07VHR DR1281 DFORMULA C19H20N2O2 DR1281 INCHIKEY VYMDGNCVAMGZFE-UHFFFAOYSA-N DR1281 DRUINCHI 1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3 DR1281 CASMILES CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3 DR1281 CAS__NUM CAS 50-33-9 DR1281 CHEBINUM 48574 DR1281 PUBCMSID 9644; 86400; 589070; 855958; 3138358; 5292420; 7847576; 7889660; 7980302; 8027936; 8027956; 8027959; 8149478; 8152935; 10524351; 11109641; 11111674; 11335506; 11360745; 11363973; 11366535; 11369097; 11371689; 11374093; 11377259; 11461717; 11485019; 11489098; 11490491; 11492292; 11494893; 14898740; 17389760; 17405551; 24277729; 24424563; 26536476; 26611871; 26680142; 26747057; 26747058; 26751573; 29223865; 46507038; 47216692; 47440165; 47515230; 47736386; 47736387; 48414314 DR1282 DRUG__ID DR1282 DR1282 DRUGNAME Phenytoin DR1282 PUBCMCID 1775 DR1282 TTDRUGID D0E4DW DR1282 DFORMULA C15H12N2O2 DR1282 INCHIKEY CXOFVDLJLONNDW-UHFFFAOYSA-N DR1282 DRUINCHI 1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19) DR1282 CASMILES C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3 DR1282 CAS__NUM CAS 57-41-0 DR1282 CHEBINUM 8107 DR1282 PUBCMSID 9647; 74340; 592179; 596082; 841957; 3136997; 4284342; 5171921; 7847578; 7980312; 8151275; 10527886; 10589150; 11111069; 11335682; 11353793; 11360921; 11363999; 11366561; 11369123; 11371880; 11374526; 11377285; 11461893; 11485017; 11489097; 11490706; 11492799; 11494919; 11532994; 14847761; 17389903; 17404941; 24278370; 26068808; 26753026; 26753027; 26753028; 29220975; 46508847; 47588955; 47736431; 47736432; 47795039; 48168464; 48184955; 48243361; 48413692; 48416427; 48422573 DR1285 DRUG__ID DR1285 DR1285 DRUGNAME Pilocarpine DR1285 PUBCMCID 5910 DR1285 TTDRUGID D06HLY DR1285 DFORMULA C11H16N2O2 DR1285 INCHIKEY QCHFTSOMWOSFHM-WPRPVWTQSA-N DR1285 DRUINCHI 1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1 DR1285 CASMILES CCC1C(COC1=O)CC2=CN=CN2C DR1285 CAS__NUM CAS 54-71-7 DR1285 CHEBINUM 8207 DR1285 PUBCMSID 9677; 605273; 7847591; 7980323; 8153662; 11113352; 11335533; 11360772; 11364001; 11366563; 11369125; 11371791; 11374095; 11377287; 11408793; 11461744; 11466477; 11467597; 11485023; 11486173; 11489100; 11490362; 11492293; 11494921; 11537578; 15195683; 15195684; 25631341; 26697419; 26751548; 29204486; 29224937; 46507475; 47213197; 47291056; 47291057; 47365110; 47440175; 47588917; 47736396; 47885334; 48110373; 48259150; 48414341; 48416432; 49698499; 49857637; 50070744; 50104139; 50104140 DR1289 DRUG__ID DR1289 DR1289 DRUGNAME Pimecrolimus DR1289 PUBCMCID 6509979 DR1289 TTDRUGID D0Z4UN DR1289 DFORMULA C43H68ClNO11 DR1289 INCHIKEY KASDHRXLYQOAKZ-XDSKOBMDSA-N DR1289 DRUINCHI 1S/C43H68ClNO11/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)45-16-12-11-13-32(45)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-31(44)35(22-29)52-7/h18,20,25,27-33,35-39,46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32-,33-,35+,36-,37-,38+,39+,43+/m0/s1 DR1289 CASMILES CCC1C=C(CC(CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC1=O)O)C)C(=CC4CCC(C(C4)OC)Cl)C)O)C)OC)OC)C)C DR1289 CAS__NUM CAS 137071-32-0 DR1289 CHEBINUM 135888 DR1289 PUBCMSID 11624458; 12014634; 14767061; 14791428; 47207149; 50112759; 57370850; 76102367; 90342402; 91011860; 99436941; 103770669; 124757871; 125164674; 126592929; 142127478; 152035365; 152344331; 162037995; 162202449; 163395064; 175266451; 178103389; 210274942; 210280580; 224029253; 226761846; 229056493; 241033484; 243025934; 249867997; 251883501; 252070159; 252819805 DR1291 DRUG__ID DR1291 DR1291 DRUGNAME Pimozide DR1291 PUBCMCID 16362 DR1291 TTDRUGID D00KHM DR1291 DFORMULA C28H29F2N3O DR1291 INCHIKEY YVUQSNJEYSNKRX-UHFFFAOYSA-N DR1291 DRUINCHI 1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34) DR1291 CASMILES C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F DR1291 CAS__NUM CAS 2062-78-4 DR1291 CHEBINUM 8212 DR1291 PUBCMSID 9769; 563187; 855710; 6706026; 7847626; 7980325; 8137196; 8149730; 8162258; 10321421; 11111615; 11112507; 11113804; 11335561;11360800; 11363339; 11365901; 11368463; 11372540; 11373859; 11376625; 11447004; 11461772; 11466336; 11467456; 11484947; 11486231; 11488842; 11491266; 11492235; 11494259; 12013418; 14882544; 17405504;24277923; 26612186; 26680826; 26747138; 26747139; 26751488; 26751978; 26751979; 29284219; 46507096; 47275121; 47275122; 47423792; 47572947; 47720184; 47720185 DR1292 DRUG__ID DR1292 DR1292 DRUGNAME Pinacidil DR1292 PUBCMCID 4826 DR1292 TTDRUGID D02KMO DR1292 DFORMULA C13H19N5 DR1292 INCHIKEY IVVNZDGDKPTYHK-UHFFFAOYSA-N DR1292 DRUINCHI 1S/C13H19N5/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11/h5-8,10H,1-4H3,(H2,15,16,17,18) DR1292 CASMILES CC(C(C)(C)C)N=C(NC#N)NC1=CC=NC=C1 DR1292 CAS__NUM CAS 85371-64-8 DR1292 CHEBINUM 91706 DR1292 PUBCMSID 4669683; 8152962; 10321422; 11120045; 11120533; 11121021; 11121526; 11122006; 11147128; 11342030; 11362213; 11362595; 11363281; 11365157; 11365843; 11367719; 11368405; 11370461; 11370462; 11373320; 11375881; 11376567; 11466274; 11467394; 11485554; 11485987; 11487615; 11489555; 11494201; 11532877; 14892701; 15196571; 17405595; 24277866; 26613193; 26679753; 26749106; 26749107; 26752205; 26752206; 29223908; 47425317; 47721339; 47721634; 47944819; 47944820; 48019685; 48020021; 48170469; 48244097 DR1293 DRUG__ID DR1293 DR1293 DRUGNAME Pinaverium DR1293 PUBCMCID 40704 DR1293 DFORMULA C26H41BrNO4+ DR1293 INCHIKEY DDHUTBKXLWCZCO-UHFFFAOYSA-N DR1293 DRUINCHI 1S/C26H41BrNO4/c1-26(2)21-6-5-19(22(26)16-21)7-11-31-12-8-28(9-13-32-14-10-28)18-20-15-24(29-3)25(30-4)17-23(20)27/h15,17,19,21-22H,5-14,16,18H2,1-4H3/q+1 DR1293 CASMILES CC1(C2CCC(C1C2)CCOCC[N+]3(CCOCC3)CC4=CC(=C(C=C4Br)OC)OC)C DR1293 CAS__NUM CAS 59995-65-2 DR1293 CHEBINUM 135811 DR1295 DRUG__ID DR1295 DR1295 DRUGNAME Pioglitazone hydrochloride DR1295 PUBCMCID 60560 DR1295 TTDRUGID D03OFF DR1295 DFORMULA C19H21ClN2O3S DR1295 INCHIKEY GHUUBYQTCDQWRA-UHFFFAOYSA-N DR1295 DRUINCHI 1S/C19H20N2O3S.ClH/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17;/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23);1H DR1295 CASMILES CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3.Cl DR1295 CAS__NUM CAS 112529-15-4 DR1295 CHEBINUM 8229 DR1296 DRUG__ID DR1296 DR1296 DRUGNAME Piperaquine DR1296 PUBCMCID 122262 DR1296 TTDRUGID D0P0SZ DR1296 DFORMULA C29H32Cl2N6 DR1296 INCHIKEY UCRHFBCYFMIWHC-UHFFFAOYSA-N DR1296 DRUINCHI 1S/C29H32Cl2N6/c30-22-2-4-24-26(20-22)32-8-6-28(24)36-16-12-34(13-17-36)10-1-11-35-14-18-37(19-15-35)29-7-9-33-27-21-23(31)3-5-25(27)29/h2-9,20-21H,1,10-19H2 DR1296 CASMILES C1CN(CCN1CCCN2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)C5=C6C=CC(=CC6=NC=C5)Cl DR1296 CAS__NUM CAS 4085-31-8 DR1296 CHEBINUM 91231 DR1296 PUBCMSID 5950601; 10240000; 15334392; 29302678; 50043136; 57340047; 80274398; 92251569; 103134334; 103261382; 104415414; 117470297; 118048658; 118844030; 125350088; 129349514; 131314023; 135077962; 137123599; 138218944; 139440458; 143493527; 152035592; 152241247; 163653072; 164232665; 164824367; 174006179; 196105912; 198972196; 223701321; 224062913; 226500372; 249614087; 251912304; 251916614; 252411866 DR1297 DRUG__ID DR1297 DR1297 DRUGNAME Piperazine DR1297 PUBCMCID 4837 DR1297 TTDRUGID D01XLM DR1297 DFORMULA C4H10N2 DR1297 INCHIKEY GLUUGHFHXGJENI-UHFFFAOYSA-N DR1297 DRUINCHI 1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2 DR1297 CASMILES C1CNCCN1 DR1297 CAS__NUM CAS 110-85-0 DR1297 CHEBINUM 28568 DR1297 PUBCMSID 10174; 67380; 587321; 3134286; 5514467; 7847872; 8144317; 8149486; 8152972; 10503893; 11335213; 11360452; 11364007; 11366569; 11369131; 11377293; 11448501; 11448505; 11448541; 11448548; 11448550; 11448588; 11448590; 11448628; 11448668; 11448748; 11448779; 11448786; 11452303; 11452307; 11452335; 11452347; 11452377; 11452383; 11452387; 11452415; 11452425; 11452427; 11452455; 11452465; 11452467; 11452495; 11452505; 11452507; 11452535; 11452545; 11452575; 11452581; 11452617; 11452653 DR1298 DRUG__ID DR1298 DR1298 DRUGNAME GTPL7557 DR1298 PUBCMCID 62867 DR1298 TTDRUGID D0Z6QG DR1298 DFORMULA C24H33N3O3S2 DR1298 INCHIKEY JOMHSQGEWSNUKU-UHFFFAOYSA-N DR1298 DRUINCHI 1S/C24H33N3O3S2/c1-25(2)32(29,30)20-8-9-24-22(18-20)27(21-6-3-4-7-23(21)31-24)14-5-13-26-15-10-19(11-16-26)12-17-28/h3-4,6-9,18-19,28H,5,10-17H2,1-2H3 DR1298 CASMILES CN(C)S(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)CCO DR1298 CAS__NUM CAS 39860-99-6 DR1298 PUBCMSID 7980330; 8188335; 14883233; 43119931; 46508263; 47954430; 48029616; 50940277; 57314887; 85209682; 96025071; 103558550; 104326857; 126659489; 126671570; 131342372; 135019323; 135996719; 137005983; 160964857; 179150436; 198935938; 198994193; 223365893; 223669494; 226494392; 241069158 DR1299 DRUG__ID DR1299 DR1299 DRUGNAME Pirfenidone DR1299 PUBCMCID 40632 DR1299 TTDRUGID D02WCI DR1299 DFORMULA C12H11NO DR1299 INCHIKEY ISWRGOKTTBVCFA-UHFFFAOYSA-N DR1299 DRUINCHI 1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3 DR1299 CASMILES CC1=CN(C(=O)C=C1)C2=CC=CC=C2 DR1299 CAS__NUM CAS 53179-13-8 DR1299 CHEBINUM 32016 DR1299 PUBCMSID 4550246; 7848646; 8176695; 11111619; 11113908; 11120277; 11120765; 11121253; 12012763; 14772813; 17405465;24278625; 34706381; 46500438; 47291345; 50034790; 50104718; 50104719; 53778013; 53787735; 57312455; 58107008; 78277830; 85171290; 85231182; 85787591; 90341749; 91011848; 92304270; 92721958; 93578964;102979948; 104334885; 118048538; 121361560; 123092043; 124750088; 124800846; 124881082; 124881083; 125307545; 125352326; 126618686; 126648858; 126667061; 128215666; 131317646; 131408321; 132556324; 134339376 DR1300 DRUG__ID DR1300 DR1300 DRUGNAME Piroxicam DR1300 PUBCMCID 54676228 DR1300 TTDRUGID D00IBN DR1300 DFORMULA C15H13N3O4S DR1300 INCHIKEY QYSPLQLAKJAUJT-UHFFFAOYSA-N DR1300 DRUINCHI 1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20) DR1300 CASMILES CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=CC=CC=N3 DR1300 CAS__NUM CAS 36322-90-4 DR1300 CHEBINUM 8249 DR1300 PUBCMSID 4761; 511550; 627224; 856007; 859011; 3248708; 5005569; 7847195; 7980333; 8149487; 10321546; 10520247; 10591135; 11111641; 11111642; 11113322; 11120243; 11120731; 11121219; 11121700; 11122180; 11335544; 11360783; 11362784; 11364009; 11365346; 11366571; 11367908; 11369133; 11370819; 11370820; 11371780; 11373509; 11374454; 11376070; 11377295; 11427267; 11461755; 11466239; 11467359; 11485029; 11485878; 11489103; 11490596; 11492783; 11494929; 12013846; 14924343; 17405458; 24583179 DR1304 DRUG__ID DR1304 DR1304 DRUGNAME Pirprofen DR1304 PUBCMCID 35935 DR1304 TTDRUGID D0S9ET DR1304 DFORMULA C13H14ClNO2 DR1304 INCHIKEY PIDSZXPFGCURGN-UHFFFAOYSA-N DR1304 DRUINCHI 1S/C13H14ClNO2/c1-9(13(16)17)10-4-5-12(11(14)8-10)15-6-2-3-7-15/h2-5,8-9H,6-7H2,1H3,(H,16,17) DR1304 CASMILES CC(C1=CC(=C(C=C1)N2CC=CC2)Cl)C(=O)O DR1304 CAS__NUM CAS 31793-07-4 DR1304 CHEBINUM 135028 DR1306 DRUG__ID DR1306 DR1306 DRUGNAME Pitavastatin calcium DR1306 PUBCMCID 5282451 DR1306 TTDRUGID D0G1WL DR1306 DFORMULA C50H46CaF2N2O8 DR1306 INCHIKEY RHGYHLPFVJEAOC-FFNUKLMVSA-L DR1306 DRUINCHI 1S/C25H24FNO4.Ca/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31;/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31);/q;+2/b12-11+;/t18-,19-;/m1./s1 DR1306 CASMILES C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)[O-])O)O)C4=CC=C(C=C4)F.C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)[O-])O)O)C4=CC=C(C=C4)F.[Ca+2] DR1306 CAS__NUM CAS 147526-32-7 DR1306 CHEBINUM 71258 DR1308 DRUG__ID DR1308 DR1308 DRUGNAME Pizotifen DR1308 PUBCMCID 27400 DR1308 TTDRUGID D06XZR DR1308 DFORMULA C19H21NS DR1308 INCHIKEY FIADGNVRKBPQEU-UHFFFAOYSA-N DR1308 DRUINCHI 1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3 DR1308 CASMILES CN1CCC(=C2C3=C(CCC4=CC=CC=C42)SC=C3)CC1 DR1308 CAS__NUM CAS 15574-96-6 DR1308 CHEBINUM 50212 DR1308 PUBCMSID 5010370; 7980344; 8169757; 10509182; 14751522; 24714723; 25623658; 26756535; 34669927; 47207192; 47291792; 47365864; 47662958; 48035805; 48185659; 48416449; 49699409; 50015996; 57310432; 75504446; 85209443; 85278783; 85787805; 85788911; 89503750; 92711291; 103223858; 104299887; 117404128; 118048642; 124892409; 124892410; 125324589; 125536630; 126631018; 126657449; 126667030; 127850175; 131342662; 131895591; 134224322; 134993421; 135650835; 135668219; 137009871; 142472728; 144205577; 162177650; 162224663; 163137347 DR1309 DRUG__ID DR1309 DR1309 DRUGNAME Y-100032 DR1309 PUBCMCID 9812534 DR1309 TTDRUGID D07QJK DR1309 DFORMULA C57H87N7O15 DR1309 INCHIKEY UUSZLLQJYRSZIS-LXNNNBEUSA-N DR1309 DRUINCHI 1S/C57H87N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h20-23,30-34,36,39-44,46-47,49,66H,15-19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t33-,34-,36+,39-,40-,41-,42+,43-,44-,46+,47-,49-/m0/s1 DR1309 CASMILES CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3CCCN3C(=O)C(=O)C)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O DR1309 CAS__NUM CAS 137219-37-5 DR1309 CHEBINUM 90205 DR1309 PUBCMSID 14890277; 14914787; 24117837; 44848515; 78614966; 103619307; 141485479; 162220249; 179117115; 184811958; 238410102; 242940324 DR1310 DRUG__ID DR1310 DR1310 DRUGNAME Podophyllotoxin DR1310 PUBCMCID 10607 DR1310 TTDRUGID D0D4HN DR1310 DFORMULA C22H22O8 DR1310 INCHIKEY YJGVMLPVUAXIQN-XVVDYKMHSA-N DR1310 DRUINCHI 1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1 DR1310 CASMILES COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O DR1310 CAS__NUM CAS 518-28-5 DR1310 CHEBINUM 50305 DR1311 DRUG__ID DR1311 DR1311 DRUGNAME FCU-2711 DR1311 PUBCMCID 223370409 DR1311 TTDRUGID D05QOL DR1312 DRUG__ID DR1312 DR1312 DRUGNAME Polyethylene glycol 400 DR1312 PUBCMCID 174 DR1312 TTDRUGID D0IV3M DR1312 DFORMULA C2H6O2 DR1312 INCHIKEY LYCAIKOWRPUZTN-UHFFFAOYSA-N DR1312 DRUINCHI 1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 DR1312 CASMILES C(CO)O DR1312 CAS__NUM CAS 107-21-1 DR1312 CHEBINUM 46793 DR1313 DRUG__ID DR1313 DR1313 DRUGNAME Pomalidomide DR1313 PUBCMCID 134780 DR1313 TTDRUGID D0A3ZU DR1313 DFORMULA C13H11N3O4 DR1313 INCHIKEY UVSMNLNDYGZFPF-UHFFFAOYSA-N DR1313 DRUINCHI 1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18) DR1313 CASMILES C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)N DR1313 CAS__NUM CAS 19171-19-8 DR1313 CHEBINUM 72690 DR1313 PUBCMSID 10243744; 14848461; 29312424; 50086901; 50447747; 53787052; 57345004; 96025659; 103100612; 103221733; 104253216; 104382952; 117621779; 124757341; 125164145; 125697093; 129427476; 135089995; 135727444; 136348254; 136367549; 136946644; 137009922; 142523166; 143499180; 149539643; 152235120; 152258286; 152343904; 160647125; 160837107; 162011791; 162012270; 162037668; 162189531; 162856472; 163398415; 163778934; 163907985; 164194051; 172889447; 172889448; 173130995; 174007398; 174528127; 175424471; 175427148; 178103920; 179116970; 186007045 DR1315 DRUG__ID DR1315 DR1315 DRUGNAME Ponatinib hydrochloride DR1315 PUBCMCID 46908927 DR1315 TTDRUGID D0H0EQ DR1315 DFORMULA C29H28ClF3N6O DR1315 INCHIKEY BWTNNZPNKQIADY-UHFFFAOYSA-N DR1315 DRUINCHI 1S/C29H27F3N6O.ClH/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37;/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39);1H DR1315 CASMILES CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5.Cl DR1315 CAS__NUM CAS 1114544-31-8 DR1316 DRUG__ID DR1316 DR1316 DRUGNAME Posaconazole DR1316 PUBCMCID 468595 DR1316 TTDRUGID D07ABV DR1316 DFORMULA C37H42F2N8O4 DR1316 INCHIKEY RAGOYPUPXAKGKH-XAKZXMRKSA-N DR1316 DRUINCHI 1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1 DR1316 CASMILES CCC(C(C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5CC(OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F DR1316 CAS__NUM CAS 171228-49-2 DR1316 CHEBINUM 64355 DR1317 DRUG__ID DR1317 DR1317 DRUGNAME HSDB-3165 DR1317 PUBCMCID 16760467 DR1317 DFORMULA C6H11KO7 DR1317 INCHIKEY HLCFGWHYROZGBI-JJKGCWMISA-M DR1317 DRUINCHI 1S/C6H12O7.K/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/q;+1/p-1/t2-,3-,4+,5-;/m1./s1 DR1317 CASMILES C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[K+] DR1317 CAS__NUM CAS 299-27-4 DR1317 CHEBINUM 32032 DR1318 DRUG__ID DR1318 DR1318 DRUGNAME Practolol DR1318 PUBCMCID 4883 DR1318 TTDRUGID D0KD1U DR1318 DFORMULA C14H22N2O3 DR1318 INCHIKEY DURULFYMVIFBIR-UHFFFAOYSA-N DR1318 DRUINCHI 1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17) DR1318 CASMILES CC(C)NCC(COC1=CC=C(C=C1)NC(=O)C)O DR1318 CAS__NUM CAS 6673-35-4 DR1318 CHEBINUM 258351 DR1318 PUBCMSID 13861; 4500647; 7979385; 8150016; 8153002; 10321694; 11336076; 11361315; 11364348; 11366910; 11369472; 11374635; 11377634; 11462287; 11466360; 11467480; 11485240; 11486020; 11489388; 11492674; 11495268; 15197223; 26679880; 26751910; 26980600; 29223962; 46507496; 47207250; 47440331; 47959823; 48185058; 48259303; 48334570; 48334571; 48334572; 48414361; 49698824; 49860734; 50104588; 56413037; 56463034; 57322502; 80701653; 85209244; 85451356; 85788851; 87660772; 92125329; 92308845; 99301989 DR1319 DRUG__ID DR1319 DR1319 DRUGNAME Prajmaline DR1319 PUBCMCID 76959818 DR1319 DFORMULA C23H33N2O2+ DR1319 INCHIKEY UAUHEPXILIZYCU-ALHOSYKFSA-N DR1319 DRUINCHI 1S/C23H33N2O2/c1-4-10-25-17-11-14(13(5-2)22(25)27)19-18(25)12-23(21(19)26)15-8-6-7-9-16(15)24(3)20(17)23/h6-9,13-14,17-22,26-27H,4-5,10-12H2,1-3H3/q+1/t13-,14-,17-,18-,19-,20-,21+,22+,23+,25-/m0/s1 DR1319 CASMILES CCC[N+]12C3CC(C(C1O)CC)C4C2CC5(C3N(C6=CC=CC=C65)C)C4O DR1319 CAS__NUM CAS 35080-11-6 DR1319 CHEBINUM 135560 DR1320 DRUG__ID DR1320 DR1320 DRUGNAME Pralatrexate DR1320 PUBCMCID 148121 DR1320 TTDRUGID D02LWU DR1320 DFORMULA C23H23N7O5 DR1320 INCHIKEY OGSBUKJUDHAQEA-WMCAAGNKSA-N DR1320 DRUINCHI 1S/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14?,16-/m0/s1 DR1320 CASMILES C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O DR1320 CAS__NUM CAS 146464-95-1 DR1320 CHEBINUM 71223 DR1320 PUBCMSID 10249810; 14761163; 14907808; 46225076; 47207252; 57346701; 76049103; 99437279; 103771482; 104418267; 124950714; 126666101; 131408688; 134223179; 135692165; 136367814; 137248707; 141792755; 144206459; 144236486; 152106310; 152258219; 152344466; 160646081; 160647055; 164044033; 164232763; 164764489; 175427094; 175437712; 176484650; 178103446; 180191813; 184527271; 186014781; 198993109; 223392464; 223659651; 223702389; 225255488; 226410872; 240035409; 241036657; 243124404; 249868098; 252069088; 252214139;252473148 DR1321 DRUG__ID DR1321 DR1321 DRUGNAME Pranlukast DR1321 PUBCMCID 4887 DR1321 TTDRUGID D08QIP DR1321 DFORMULA C27H23N5O4 DR1321 INCHIKEY NBQKINXMPLXUET-UHFFFAOYSA-N DR1321 DRUINCHI 1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32) DR1321 CASMILES C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5 DR1321 CAS__NUM CAS 103177-37-3 DR1321 CHEBINUM 94810 DR1321 PUBCMSID 4500848; 14859100; 29223965; 50077761; 50077772; 50126316; 53786954; 77504954; 85220005; 91615698; 92308832; 92719276; 96025094; 96078242; 103188207; 103933734; 104307712; 125335358; 126620941; 126652683; 126670729; 128679004; 135072791; 135692295; 135698209; 137212400; 139795808; 144206505; 152106761; 162182220; 163032211; 164232709; 164826461; 175611959; 176484201; 177749374; 178100541; 179149492; 186010627; 196105989; 198972268; 210279434; 210281757; 223653303; 223704738; 225068984; 226395820; 250136802; 251887611; 252156957 DR1324 DRUG__ID DR1324 DR1324 DRUGNAME Prasterone sulfate DR1324 PUBCMCID 12594 DR1324 DFORMULA C19H28O5S DR1324 INCHIKEY CZWCKYRVOZZJNM-USOAJAOKSA-N DR1324 DRUINCHI 1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/t13-,14-,15-,16-,18-,19-/m0/s1 DR1324 CASMILES CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OS(=O)(=O)O)C DR1324 CAS__NUM CAS 651-48-9 DR1324 CHEBINUM 16814 DR1326 DRUG__ID DR1326 DR1326 DRUGNAME Prasugrel hydrochloride DR1326 PUBCMCID 10158453 DR1326 TTDRUGID D07IRF DR1326 DFORMULA C20H21ClFNO3S DR1326 INCHIKEY JALHGCPDPSNJNY-UHFFFAOYSA-N DR1326 DRUINCHI 1S/C20H20FNO3S.ClH/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21;/h2-5,10,13,19H,6-9,11H2,1H3;1H DR1326 CASMILES CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl DR1326 CAS__NUM CAS 389574-19-0 DR1327 DRUG__ID DR1327 DR1327 DRUGNAME Pravastatin DR1327 PUBCMCID 54687 DR1327 TTDRUGID D02RQU DR1327 DFORMULA C23H36O7 DR1327 INCHIKEY TUZYXOIXSAXUGO-PZAWKZKUSA-N DR1327 DRUINCHI 1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1 DR1327 CASMILES CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)O DR1327 CAS__NUM CAS 81093-37-0 DR1327 CHEBINUM 63618 DR1327 PUBCMSID 4962; 7980374; 8183732; 10852022; 14758460; 14880512; 34718661; 46504851; 48416457; 49688762; 49995722; 50718915; 57288813; 57313644; 85789083; 85856288; 93166931; 96025096; 102979949; 104234199; 104305598; 117544687; 118048679; 124899367; 126665388; 129317935; 134337841; 135014686; 135610132; 135650848; 137002685; 142742106; 152034648; 152164597; 160963523; 164814679; 165235255; 174007284; 175266850; 175426985; 175612187; 179148899; 184545482; 187072512; 210279284; 210281607; 223554816; 223682192; 223745588; 226393956 DR1328 DRUG__ID DR1328 DR1328 DRUGNAME Prazepam DR1328 PUBCMCID 4890 DR1328 TTDRUGID D0G3AQ DR1328 DFORMULA C19H17ClN2O DR1328 INCHIKEY MWQCHHACWWAQLJ-UHFFFAOYSA-N DR1328 DRUINCHI 1S/C19H17ClN2O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)21-11-18(23)22(17)12-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2 DR1328 CASMILES C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4 DR1328 CAS__NUM CAS 2955-38-6 DR1328 CHEBINUM 8362 DR1328 PUBCMSID 9570; 142196; 4500851; 7847536; 8153008; 10517477; 14874926; 24898436; 29223968; 46505417; 48414363; 48416458; 49857642; 50113069; 57322504; 58107012; 75711993; 103252286; 104307721; 124893449; 125823415; 128658510; 134224569; 134337978; 134982453; 136949643; 137005591; 137440705; 137783726; 144206168; 144207274; 160964826; 162946637; 164788802; 178103849; 179116857; 198988005; 198991803; 223440729; 224927321; 226457573; 250107476; 252356174 DR1329 DRUG__ID DR1329 DR1329 DRUGNAME Praziquantel DR1329 PUBCMCID 4891 DR1329 TTDRUGID D0L9ZR DR1329 DFORMULA C19H24N2O2 DR1329 INCHIKEY FSVJFNAIGNNGKK-UHFFFAOYSA-N DR1329 DRUINCHI 1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2 DR1329 CASMILES C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2 DR1329 CAS__NUM CAS 55268-74-1 DR1329 CHEBINUM 91583 DR1329 PUBCMSID 9571; 603043; 855582; 858012; 4500852; 7847537; 7980375; 8149489; 8153009; 10321427; 10589244; 11335305; 11360544; 11364013; 11366575; 11369137; 11371799; 11374102; 11377299; 11461516; 11466288; 11467408; 11485031; 11486035; 11489104; 11490366; 11492297; 11494933; 12015327; 15272465; 17405467; 22389787; 24278635; 24870350; 26611882; 26680161; 26747203; 26747204; 29223969; 46507082; 47217033; 47291354; 47589213; 47662536; 48035386; 48185224; 48259483; 48259484; 48334763; 48414364 DR1330 DRUG__ID DR1330 DR1330 DRUGNAME Prazosin DR1330 PUBCMCID 4893 DR1330 TTDRUGID D0WV3U DR1330 DFORMULA C19H21N5O4 DR1330 INCHIKEY IENZQIKPVFGBNW-UHFFFAOYSA-N DR1330 DRUINCHI 1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22) DR1330 CASMILES COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC DR1330 CAS__NUM CAS 19216-56-9 DR1330 CHEBINUM 8364 DR1330 PUBCMSID 9572; 841974; 4500854; 7980376; 8153011; 11112649; 11112650; 11113367; 11120245; 11120733; 11121221; 11121703; 11122183; 11335550; 11360789; 11362790; 11363716; 11365352; 11366278; 11367914; 11368840; 11370831; 11370832; 11371821; 11373515; 11374104; 11376076; 11377002; 11406810; 11461761; 11466975; 11468095; 11485033; 11486809; 11489105; 11490367; 11492298; 11494636; 14804776; 26751613; 26751614; 29223971; 46508594; 47364941; 47364942; 47588782; 47662032; 47662033; 47662034; 47662035 DR1331 DRUG__ID DR1331 DR1331 DRUGNAME Prednicarbate DR1331 PUBCMCID 6714002 DR1331 TTDRUGID D09IEE DR1331 DFORMULA C27H36O8 DR1331 INCHIKEY FNPXMHRZILFCKX-KAJVQRHHSA-N DR1331 DRUINCHI 1S/C27H36O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h9,11,13,18-20,23,29H,5-8,10,12,14-15H2,1-4H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1 DR1331 CASMILES CCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)OC(=O)OCC DR1331 CAS__NUM CAS 73771-04-7 DR1331 CHEBINUM 135791 DR1331 PUBCMSID 11467072; 11468192; 11486640; 12013808; 14810426; 17190443; 43333414; 47207264; 47574670; 47871009; 47945107; 48244692; 49699264; 50124068; 50655143; 56463553; 57371370; 71825010; 85787547; 92125934; 92720065; 103770369; 103914660; 114951144; 121363605; 124799601; 126620396; 126651370; 134223290; 135012724; 137240385; 144204238; 163835804; 164232786; 164814618; 175267150; 175612124; 179149412; 196105692; 223365940; 223680208; 226396028; 252356176 DR1332 DRUG__ID DR1332 DR1332 DRUGNAME Prednisolone DR1332 PUBCMCID 5755 DR1332 TTDRUGID D0D1SG DR1332 DFORMULA C21H28O5 DR1332 INCHIKEY OIGNJSKKLXVSLS-VWUMJDOOSA-N DR1332 DRUINCHI 1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 DR1332 CASMILES CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O DR1332 CAS__NUM CAS 50-24-8 DR1332 CHEBINUM 8378 DR1332 PUBCMSID 9573; 74674; 75254; 7847538; 7980377; 8153532; 10321429; 11466302; 11467422; 11486103; 12012573; 12146616; 14876794; 14876795; 24870351; 24898079; 24898725; 26697414; 29224791; 46504847; 46519223; 47500929; 47647896; 47945232; 48244811; 48414366; 48416460; 49698415; 49857644; 50085972; 50124371; 50643467; 53790825; 56311149; 56312886; 56313992; 56463372; 57288815; 57650843; 81093218; 85300842; 85788424; 87574796; 92125114; 92309181; 92710510; 93576750; 103189031; 103913923; 104169971 DR1334 DRUG__ID DR1334 DR1334 DRUGNAME Prednisone DR1334 PUBCMCID 5865 DR1334 TTDRUGID D0IL7L DR1334 DFORMULA C21H26O5 DR1334 INCHIKEY XOFYZVNMUHMLCC-ZPOLXVRWSA-N DR1334 DRUINCHI 1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1 DR1334 CASMILES CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C DR1334 CAS__NUM CAS 53-03-2 DR1334 CHEBINUM 8382 DR1334 PUBCMSID 9574; 75351; 811678; 6436730; 7980378; 8153624; 10321430; 11404403; 11466105; 11467225; 11485950; 12159191; 14876665; 14901277; 17389753; 24887849; 24898748; 29224894; 46508166; 47423771; 47499091; 47869192; 47943330; 48094072; 48168897; 48393454; 48414367; 48423989; 48425558; 49681504; 49698331; 49855473; 50085971; 50105442; 50105443; 50793118; 53790481; 56310878; 56312053; 56312061; 56312554; 56314869; 56320929; 56320930; 56352934; 56463357; 57323004; 81093202; 85300843; 85787889 DR1336 DRUG__ID DR1336 DR1336 DRUGNAME Pregnenolone DR1336 PUBCMCID 8955 DR1336 TTDRUGID D0B4RU DR1336 DFORMULA C21H32O2 DR1336 INCHIKEY ORNBQBCIOKFOEO-QGVNFLHTSA-N DR1336 DRUINCHI 1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1 DR1336 CASMILES CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C DR1336 CAS__NUM CAS 145-13-1 DR1336 CHEBINUM 16581 DR1336 PUBCMSID 3095; 5056; 841801; 3136425; 7847211; 7889910; 8143499; 8156371; 10321800; 11466574; 11467694; 11486248; 12157331; 14850333; 24702313; 24887880; 24899008; 25621392; 29227585; 46506718; 47275669; 47646662; 48094643; 48318548; 48394039; 49698547; 50019742; 50111369; 50952978; 53790378; 56463239; 57325339; 85165262; 87574922; 90451278; 92125557; 92298073; 92309191; 92712002; 93167037; 93576762; 103557063; 103845983; 103914285; 104319171; 121363228; 124812051; 124892396; 126630318; 126656995 DR1337 DRUG__ID DR1337 DR1337 DRUGNAME Prenylamine DR1337 PUBCMCID 9801 DR1337 DFORMULA C24H27N DR1337 INCHIKEY IFFPICMESYHZPQ-UHFFFAOYSA-N DR1337 DRUINCHI 1S/C24H27N/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3 DR1337 CASMILES CC(CC1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3 DR1337 CAS__NUM CAS 390-64-7 DR1337 CHEBINUM 8397 DR1338 DRUG__ID DR1338 DR1338 DRUGNAME Pretomanid DR1338 PUBCMCID 456199 DR1338 TTDRUGID D02AYL DR1338 DFORMULA C14H12F3N3O5 DR1338 INCHIKEY ZLHZLMOSPGACSZ-NSHDSACASA-N DR1338 DRUINCHI 1S/C14H12F3N3O5/c15-14(16,17)25-10-3-1-9(2-4-10)7-23-11-5-19-6-12(20(21)22)18-13(19)24-8-11/h1-4,6,11H,5,7-8H2/t11-/m0/s1 DR1338 CASMILES C1C(COC2=NC(=CN21)[N+](=O)[O-])OCC3=CC=C(C=C3)OC(F)(F)F DR1338 CAS__NUM CAS 187235-37-6 DR1338 PUBCMSID 602759; 11568219; 14754667; 56314347; 74512488; 92309397; 103516892; 109718929; 129919200; 134340334; 135143585; 136345878; 136348779; 136967299; 139347532; 144229765; 162223093; 162474735; 164046419; 164764023; 174006653; 174007389; 175426953; 179231147; 188889470; 196409666; 198982738; 210274726; 210280360; 223384013; 223554904; 223700553; 223705177; 223726250; 229040932; 241383546; 249855633; 250224263; 251971002; 252066562; 252434136; 252450233; 252553552 DR1339 DRUG__ID DR1339 DR1339 DRUGNAME Primaquine DR1339 PUBCMCID 4908 DR1339 TTDRUGID D0T1LK DR1339 DFORMULA C15H21N3O DR1339 INCHIKEY INDBQLZJXZLFIT-UHFFFAOYSA-N DR1339 DRUINCHI 1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3 DR1339 CASMILES CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2 DR1339 CAS__NUM CAS 90-34-6 DR1339 CHEBINUM 8405 DR1339 PUBCMSID 9829; 87834; 598065; 602722; 604501; 5227598; 7980381; 8153019; 10537677; 11335981; 11361220; 11363724; 11366286; 11368848; 11371823; 11374106; 11377010; 11405430; 11410276; 11462192; 11466504; 11467624; 11484410; 11486287; 11488703; 11490368; 11492299; 11494644; 14798934; 24715072; 24715073; 29223986; 46508222; 47291261; 47291262; 47291263; 47440410; 47885557; 47959923; 47959924; 48035284; 48110597; 48416468; 49698880; 50042258; 50123426; 50123427; 50725468; 53790596; 56312914 DR1340 DRUG__ID DR1340 DR1340 DRUGNAME Primidone DR1340 PUBCMCID 4909 DR1340 TTDRUGID D0U5RT DR1340 DFORMULA C12H14N2O2 DR1340 INCHIKEY DQMZLTXERSFNPB-UHFFFAOYSA-N DR1340 DRUINCHI 1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16) DR1340 CASMILES CCC1(C(=O)NCNC1=O)C2=CC=CC=C2 DR1340 CAS__NUM CAS 125-33-7 DR1340 CHEBINUM 8412 DR1340 PUBCMSID 9575; 96478; 855864; 5227599; 7847540; 7980382; 8149495; 8153020; 10506074; 11111659; 11112270; 11113350; 11335499; 11360738; 11363726; 11366288; 11368850; 11371825; 11374108; 11377012; 11461710; 11466961; 11468081; 11485061; 11486771; 11489109; 11490369; 11492300; 11494646; 15121366; 17389534; 17405579; 24277732; 26611888; 26679596; 26747018; 26747019; 26751542; 29223987; 46507775; 47291047; 47365104; 47440159; 47440160; 47440161; 47440162; 47588907; 47810657; 48184911; 48184912 DR1341 DRUG__ID DR1341 DR1341 DRUGNAME Probenecid DR1341 PUBCMCID 4911 DR1341 TTDRUGID D0L7FM DR1341 DFORMULA C13H19NO4S DR1341 INCHIKEY DBABZHXKTCFAPX-UHFFFAOYSA-N DR1341 DRUINCHI 1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16) DR1341 CASMILES CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O DR1341 CAS__NUM CAS 57-66-9 DR1341 CHEBINUM 8426 DR1341 PUBCMSID 9576; 81789; 855953; 3162120; 5227618; 7847541; 7980385; 8149496; 8153022; 10321755; 10528000; 11112135; 11335231; 11360470; 11363728; 11366290; 11368852; 11371827; 11374110; 11377014; 11461442; 11466570; 11467690; 11485063; 11486240; 11489110; 11490370; 11492301; 11494648; 14873183; 17389752; 24898976; 26611889; 26680013; 26747055; 26747056; 26751571; 29223989; 46506554; 47588826; 47662104; 47885248; 47959564; 47959565; 48034940; 48110289; 48334309; 48414371; 48416470; 48423998 DR1343 DRUG__ID DR1343 DR1343 DRUGNAME Procainamide hydrochloride DR1343 PUBCMCID 66068 DR1343 TTDRUGID D0U5SI DR1343 DFORMULA C13H22ClN3O DR1343 INCHIKEY ABTXGJFUQRCPNH-UHFFFAOYSA-N DR1343 DRUINCHI 1S/C13H21N3O.ClH/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17);1H DR1343 CASMILES CCN(CC)CCNC(=O)C1=CC=C(C=C1)N.Cl DR1343 CAS__NUM CAS 614-39-1 DR1343 CHEBINUM 8429 DR1344 DRUG__ID DR1344 DR1344 DRUGNAME Procarbazine DR1344 PUBCMCID 4915 DR1344 TTDRUGID D08GYO DR1344 DFORMULA C12H19N3O DR1344 INCHIKEY CPTBDICYNRMXFX-UHFFFAOYSA-N DR1344 DRUINCHI 1S/C12H19N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16) DR1344 CASMILES CC(C)NC(=O)C1=CC=C(C=C1)CNNC DR1344 CAS__NUM CAS 671-16-9 DR1344 CHEBINUM 71417 DR1344 PUBCMSID 9606; 5227622; 7980389; 8153026; 10532324; 11112335; 11446055; 11451557; 11467140; 11468260; 11486848; 15195970; 29223993; 46507706; 47440427; 47736658; 47810931; 48259429; 48414372; 48416472; 49699412; 49857646; 50100422; 53790978; 57288818; 57322522; 60975981; 75023517; 92309185; 92720556; 93166341; 96025109; 103411217; 104224963; 104307787; 119525894; 125564988; 126619890; 126653077; 126667406; 127660052; 134338256; 134977726; 136342514; 137001449; 140349398; 144076104; 144212055; 152030630; 160655721 DR1345 DRUG__ID DR1345 DR1345 DRUGNAME Prochlorperazine DR1345 PUBCMCID 4917 DR1345 TTDRUGID D0B2UZ DR1345 DFORMULA C20H24ClN3S DR1345 INCHIKEY WIKYUJGCLQQFNW-UHFFFAOYSA-N DR1345 DRUINCHI 1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3 DR1345 CASMILES CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl DR1345 CAS__NUM CAS 58-38-8 DR1345 CHEBINUM 8435 DR1345 PUBCMSID 9607; 597374; 855827; 5236619; 7847559; 7980391; 8153028; 10528269; 11111685; 11111686; 11335588; 11360827; 11363734; 11364717; 11366296; 11367279; 11368858; 11369841; 11371862; 11372882; 11374482; 11375441; 11377020; 11378005; 11427138; 11461799; 11466427; 11467547; 11485069; 11486274; 11489113; 11490697; 11492787; 11494654; 14828997; 24263035; 29223995; 46509018; 47216713; 47216714; 47291072; 47291073; 47662213; 47662214; 47736410; 47810684; 47885344; 47885345; 48035042; 48416473 DR1346 DRUG__ID DR1346 DR1346 DRUGNAME Progesterone DR1346 PUBCMCID 5994 DR1346 TTDRUGID D07BSQ DR1346 DFORMULA C21H30O2 DR1346 INCHIKEY RJKFOVLPORLFTN-LEKSSAKUSA-N DR1346 DRUINCHI 1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1 DR1346 CASMILES CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C DR1346 CAS__NUM CAS 57-83-0 DR1346 CHEBINUM 17026 DR1346 PUBCMSID 3700; 75083; 110315; 625872; 818903; 834065; 837053; 841781; 855688; 3139517; 6435812; 6436726; 6436727; 7847134; 7890619; 7980395; 8026442; 8144717; 8153728; 10318966; 10321434; 11446518; 11466505; 11467625; 11486289; 12015027; 14850243; 14874443; 17388760; 17389514; 17405453; 24278618; 24870355; 24898476; 24898649; 24898857; 24898978; 24899064; 25621439; 26715972; 26719639; 26746572; 26751485; 26751486; 26759395; 29204503; 29225009; 46386909; 46391718; 46392093 DR1347 DRUG__ID DR1347 DR1347 DRUGNAME Proguanil DR1347 PUBCMCID 6178111 DR1347 TTDRUGID D0P8RS DR1347 DFORMULA C11H16ClN5 DR1347 INCHIKEY SSOLNOMRVKKSON-UHFFFAOYSA-N DR1347 DRUINCHI 1S/C11H16ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H5,13,14,15,16,17) DR1347 CASMILES CC(C)N=C(N)N=C(N)NC1=CC=C(C=C1)Cl DR1347 CAS__NUM CAS 500-92-5 DR1347 CHEBINUM 8455 DR1347 PUBCMSID 9833; 603149; 7980396; 11112433; 11341938; 11362121; 11364482; 11367044; 11369606; 11372736; 11374343; 11377768; 11467027; 11468147; 11484765; 11486724; 11487523; 11488951; 11491474; 11492437; 11495402; 14823534; 47736673; 47885583; 47959951; 48035321; 48035322; 48185162; 48415754; 49698968; 49893807; 50100438; 50100439; 57309709; 57365545; 80043130; 85788592; 87246413; 93166734; 96025114; 103462237; 114370477; 134978163; 137004047; 137040200; 137131382; 160964465; 162188072; 175267378; 179039118 DR1350 DRUG__ID DR1350 DR1350 DRUGNAME Proline DR1350 PUBCMCID 614 DR1350 DFORMULA C5H9NO2 DR1350 INCHIKEY ONIBWKKTOPOVIA-UHFFFAOYSA-N DR1350 DRUINCHI 1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8) DR1350 CASMILES C1CC(NC1)C(=O)O DR1350 CAS__NUM CAS 609-36-9 DR1350 CHEBINUM 26271 DR1351 DRUG__ID DR1351 DR1351 DRUGNAME Promazine DR1351 PUBCMCID 4926 DR1351 TTDRUGID D00NAX DR1351 DFORMULA C17H20N2S DR1351 INCHIKEY ZGUGWUXLJSTTMA-UHFFFAOYSA-N DR1351 DRUINCHI 1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3 DR1351 CASMILES CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C31 DR1351 CAS__NUM CAS 58-40-2 DR1351 CHEBINUM 8459 DR1351 PUBCMSID 9583; 90371; 647046; 5236626; 7980397; 8153033; 10525853; 10528271; 11111651; 11111652; 11335594; 11360833; 11363760; 11366322; 11368884; 11372094; 11374833; 11377046; 11461805; 11466721; 11467841; 11484533; 11486502; 11488655; 11490833; 11492962; 11494680; 14848900; 29224004; 46504504; 47216716; 47216717; 47291075; 47365121; 47440189; 47515258; 47588936; 47959671; 47959672; 48416476; 49698885; 50006482; 50100325; 50104276; 50686916; 56352878; 57288820; 57322527; 85209395; 90341344 DR1352 DRUG__ID DR1352 DR1352 DRUGNAME Promegestone DR1352 PUBCMCID 36709 DR1352 TTDRUGID D0F2AK DR1352 DFORMULA C22H30O2 DR1352 INCHIKEY QFFCYTLOTYIJMR-XMGTWHOFSA-N DR1352 DRUINCHI 1S/C22H30O2/c1-4-20(24)22(3)12-10-19-18-7-5-14-13-15(23)6-8-16(14)17(18)9-11-21(19,22)2/h13,18-19H,4-12H2,1-3H3/t18-,19+,21+,22-/m1/s1 DR1352 CASMILES CCC(=O)C1(CCC2C1(CCC3=C4CCC(=O)C=C4CCC23)C)C DR1352 CAS__NUM CAS 34184-77-5 DR1352 CHEBINUM 73390 DR1352 PUBCMSID 7847018; 8174639; 12015547; 14777300; 34678110; 49965773; 50725339; 53790216; 56314166; 57311921; 71821474; 96025117; 103469392; 104324687; 129014230; 134999808; 135650855; 137248796; 162223417; 163425651; 172097280; 179150344; 184592601; 198934712; 226423485; 241063177 DR1353 DRUG__ID DR1353 DR1353 DRUGNAME Promethazine DR1353 PUBCMCID 4927 DR1353 TTDRUGID D0T2XU DR1353 DFORMULA C17H20N2S DR1353 INCHIKEY PWWVAXIEGOYWEE-UHFFFAOYSA-N DR1353 DRUINCHI 1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3 DR1353 CASMILES CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C DR1353 CAS__NUM CAS 60-87-7 DR1353 CHEBINUM 8461 DR1353 PUBCMSID 9608; 89596; 616468; 5236627; 7847560; 7980398; 8153034; 10529464; 11335180; 11360419;11363762; 11366324; 11368886; 11372096; 11374835; 11377048; 11406271; 11461391; 11466916; 11468036; 11484535; 11486631; 11488656; 11490834; 11492963; 11494682; 14848899; 24434790; 26752304; 29224005;46507798; 47216602; 47216603; 47216604; 47290955; 47588815; 47885231; 48110274; 48184815; 48259042; 48416477; 49698886; 49854482; 50105224; 56313067; 56313700; 56459433; 57322528; 75806049; 85088938 DR1359 DRUG__ID DR1359 DR1359 DRUGNAME BCP-13498 DR1359 PUBCMCID 68865 DR1359 DFORMULA C14H20N2O3 DR1359 INCHIKEY QTGAJCQTLIRCFL-UHFFFAOYSA-N DR1359 DRUINCHI 1S/C14H20N2O3/c1-4-16(5-2)10-14(18)19-13-8-6-12(7-9-13)15-11(3)17/h6-9H,4-5,10H2,1-3H3,(H,15,17) DR1359 CASMILES CCN(CC)CC(=O)OC1=CC=C(C=C1)NC(=O)C DR1359 CAS__NUM CAS 66532-85-2 DR1359 CHEBINUM 135089 DR1361 DRUG__ID DR1361 DR1361 DRUGNAME Propafenone hydrochloride DR1361 PUBCMCID 36708 DR1361 TTDRUGID D0J2KV DR1361 DFORMULA C21H28ClNO3 DR1361 INCHIKEY XWIHRGFIPXWGEF-UHFFFAOYSA-N DR1361 DRUINCHI 1S/C21H27NO3.ClH/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17;/h3-11,18,22-23H,2,12-16H2,1H3;1H DR1361 CASMILES CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O.Cl DR1361 CAS__NUM CAS 34183-22-7 DR1361 CHEBINUM 8466 DR1362 DRUG__ID DR1362 DR1362 DRUGNAME HWA-285 DR1362 PUBCMCID 4938 DR1362 TTDRUGID D0UU9Y DR1362 DFORMULA C15H22N4O3 DR1362 INCHIKEY RBQOQRRFDPXAGN-UHFFFAOYSA-N DR1362 DRUINCHI 1S/C15H22N4O3/c1-4-8-18-10-16-13-12(18)14(21)19(15(22)17(13)3)9-6-5-7-11(2)20/h10H,4-9H2,1-3H3 DR1362 CASMILES CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)C DR1362 CAS__NUM CAS 55242-55-2 DR1362 CHEBINUM 32061 DR1362 PUBCMSID 5371489; 7848693; 8153045; 11111693; 11373106; 11491649; 12013034; 14776375; 17405573; 24278191; 26753633; 29224016; 47885568; 48035305; 49645640; 50028010; 50106916; 50106917; 50122611; 53778121; 57322539; 69520080; 80686886; 85231201; 85788518; 90340930; 91011547; 92303187; 103737364; 103810925;104171224; 104307833; 117600212; 117695707; 117695717; 121361975; 124750169; 124787974; 124881244; 124881245; 124881246; 125823608; 126686492; 129106193; 134223517; 135002918; 137212377; 143051080; 144074060; 144203798 DR1363 DRUG__ID DR1363 DR1363 DRUGNAME Propiverine DR1363 PUBCMCID 441412 DR1363 TTDRUGID D0TV9K DR1363 DFORMULA C23H30ClNO3 DR1363 INCHIKEY KFUJMHHNLGCTIJ-UHFFFAOYSA-N DR1363 DRUINCHI 1S/C23H29NO3.ClH/c1-3-18-26-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22(25)27-21-14-16-24(2)17-15-21;/h4-13,21H,3,14-18H2,1-2H3;1H DR1363 CASMILES CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CCN(CC3)C.Cl DR1363 CAS__NUM CAS 60569-19-9 DR1363 CHEBINUM 8494 DR1365 DRUG__ID DR1365 DR1365 DRUGNAME Propofol DR1365 PUBCMCID 4943 DR1365 TTDRUGID D0A3HB DR1365 DFORMULA C12H18O DR1365 INCHIKEY OLBCVFGFOZPWHH-UHFFFAOYSA-N DR1365 DRUINCHI 1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3 DR1365 CASMILES CC(C)C1=C(C(=CC=C1)C(C)C)O DR1365 CAS__NUM CAS 2078-54-8 DR1365 CHEBINUM 44915 DR1365 PUBCMSID 9726; 71265; 219945; 838001; 3132933; 5371511; 7847615; 7889810; 7980416; 7984535; 8001758; 8153049; 10513227; 11111121; 11111122; 11466959; 11468079; 11486767; 12012653; 12055958; 14772701; 17389856; 17405000; 24278001; 24902022; 26612728; 26697200; 26747380; 26753044; 26753045; 26753046; 29224021; 29334775; 29833842; 46504991; 47193694; 47216867; 47216868; 47216869; 47365303; 47662396; 47662397; 47662398; 48416482; 48424532; 49699215; 49855158; 50105615; 51074363; 53777543 DR1367 DRUG__ID DR1367 DR1367 DRUGNAME Propranolol hydrochloride DR1367 PUBCMCID 62882 DR1367 TTDRUGID D04JEE DR1367 DFORMULA C16H22ClNO2 DR1367 INCHIKEY ZMRUPTIKESYGQW-UHFFFAOYSA-N DR1367 DRUINCHI 1S/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H DR1367 CASMILES CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl DR1367 CAS__NUM CAS 318-98-9 DR1367 CHEBINUM 8500 DR1368 DRUG__ID DR1368 DR1368 DRUGNAME Prulifloxacin DR1368 PUBCMCID 65947 DR1368 DFORMULA C21H20FN3O6S DR1368 INCHIKEY PWNMXPDKBYZCOO-UHFFFAOYSA-N DR1368 DRUINCHI 1S/C21H20FN3O6S/c1-10-16(31-21(29)30-10)9-23-3-5-24(6-4-23)15-8-14-12(7-13(15)22)18(26)17(20(27)28)19-25(14)11(2)32-19/h7-8,11H,3-6,9H2,1-2H3,(H,27,28) DR1368 CASMILES CC1N2C3=CC(=C(C=C3C(=O)C(=C2S1)C(=O)O)F)N4CCN(CC4)CC5=C(OC(=O)O5)C DR1368 CAS__NUM CAS 123447-62-1 DR1368 CHEBINUM 32071 DR1369 DRUG__ID DR1369 DR1369 DRUGNAME Pseudoephedrine DR1369 PUBCMCID 7028 DR1369 TTDRUGID D00HHS DR1369 DFORMULA C10H15NO DR1369 INCHIKEY KWGRBVOPPLSCSI-WCBMZHEXSA-N DR1369 DRUINCHI 1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1 DR1369 CASMILES CC(C(C1=CC=CC=C1)O)NC DR1369 CAS__NUM CAS 90-82-4 DR1369 CHEBINUM 51209 DR1369 PUBCMSID 5721; 605289; 7980426; 8154627; 11111142; 11335626; 11360865; 11363772; 11366334; 11368896; 11372860; 11374901; 11377058; 11407347; 11461837; 11485101; 11489119; 11491586; 11492976; 11494692; 15120370; 24857282; 24883628; 29225939; 46508190; 47589216; 47736742; 47885640; 48334767; 48416496; 50026888; 50122789; 56464196; 57391157; 79710053; 85788938; 92718094; 93166975; 93623258; 96025135; 103590224; 104224960; 104313759; 126524245; 126628590; 126687543; 128443808; 134222123; 134337514; 134971121 DR1371 DRUG__ID DR1371 DR1371 DRUGNAME Pyrantel DR1371 PUBCMCID 708857 DR1371 TTDRUGID D03PTH DR1371 DFORMULA C11H14N2S DR1371 INCHIKEY YSAUAVHXTIETRK-AATRIKPKSA-N DR1371 DRUINCHI 1S/C11H14N2S/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h2,4-6,9H,3,7-8H2,1H3/b6-5+ DR1371 CASMILES CN1CCCN=C1C=CC2=CC=CS2 DR1371 CAS__NUM CAS 15686-83-6 DR1371 CHEBINUM 8654 DR1372 DRUG__ID DR1372 DR1372 DRUGNAME Pyrazinamide DR1372 PUBCMCID 1046 DR1372 TTDRUGID D0XF8W DR1372 DFORMULA C5H5N3O DR1372 INCHIKEY IPEHBUMCGVEMRF-UHFFFAOYSA-N DR1372 DRUINCHI 1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9) DR1372 CASMILES C1=CN=C(C=N1)C(=O)N DR1372 CAS__NUM CAS 98-96-4 DR1372 CHEBINUM 45285 DR1372 PUBCMSID 3115; 5057; 78938; 602930; 866420; 3135875; 7437580; 7847212; 7980439; 8002616; 8139959; 8149510; 10321757; 10539072; 11111657; 11111658; 11335416; 11360655; 11363796; 11366358; 11368920; 11371892; 11374989; 11377082; 11461627; 11466542; 11467662; 11485105; 11486124; 11489121; 11490861; 11493000; 11494716; 15119868; 16957225; 17389747; 17405569; 24278648; 24439399; 24887930; 25623302; 26611902; 26679227; 26697102; 26747228; 26747229; 26752748; 39214717; 46507478; 47810638 DR1373 DRUG__ID DR1373 DR1373 DRUGNAME Pyridoxine-P DR1373 PUBCMCID 1055 DR1373 TTDRUGID D0B8JD DR1373 DFORMULA C8H12NO6P DR1373 INCHIKEY WHOMFKWHIQZTHY-UHFFFAOYSA-N DR1373 DRUINCHI 1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14) DR1373 CASMILES CC1=NC=C(C(=C1O)CO)COP(=O)(O)O DR1373 CAS__NUM CAS 447-05-2 DR1373 CHEBINUM 28803 DR1373 PUBCMSID 3900; 121364; 819327; 820453; 7632932; 7890125; 8144282; 8150950; 15196680; 24439408; 46505900; 50035347; 56394744; 56436477; 57320702; 77059057; 81059217; 81062237; 81063099; 92093079; 99226969; 103126206; 103771794; 104296633; 117626978; 125823533; 126523960; 129582682; 134975151; 136023443; 137102232; 144220181; 152255593; 160657327; 160843443; 160965416; 170467253; 198948385; 226428201 DR1374 DRUG__ID DR1374 DR1374 DRUGNAME Quazepam DR1374 PUBCMCID 4999 DR1374 TTDRUGID D03NPH DR1374 DFORMULA C17H11ClF4N2S DR1374 INCHIKEY IKMPWMZBZSAONZ-UHFFFAOYSA-N DR1374 DRUINCHI 1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2 DR1374 CASMILES C1C(=S)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(F)(F)F DR1374 CAS__NUM CAS 36735-22-5 DR1374 CHEBINUM 8694 DR1374 PUBCMSID 9543; 454761; 5183363; 7847523; 7980443; 8153079; 12012678; 14829730; 29224072; 46505952; 49884069; 57322562; 58108231; 80003286; 103770455; 104307989; 128181117; 134222052; 134337979; 134999994; 137005122; 142426129; 160964827; 162946639; 175266458; 178103862; 179150392; 223440821; 226416562; 250127834 DR1376 DRUG__ID DR1376 DR1376 DRUGNAME Quetiapine fumarate DR1376 PUBCMCID 5281025 DR1376 TTDRUGID D0H7KF DR1376 DFORMULA C46H54N6O8S2 DR1376 INCHIKEY ZTHJULTYCAQOIJ-WXXKFALUSA-N DR1376 DRUINCHI 1S/2C21H25N3O2S.C4H4O4/c2*25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21;5-3(6)1-2-4(7)8/h2*1-8,25H,9-16H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+ DR1376 CASMILES C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C(=CC(=O)O)C(=O)O DR1376 CAS__NUM CAS 111974-72-2 DR1376 CHEBINUM 8708 DR1377 DRUG__ID DR1377 DR1377 DRUGNAME CBL-0102 DR1377 PUBCMCID 237 DR1377 TTDRUGID D0O2DQ DR1377 DFORMULA C23H30ClN3O DR1377 INCHIKEY GPKJTRJOBQGKQK-UHFFFAOYSA-N DR1377 DRUINCHI 1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26) DR1377 CASMILES CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC DR1377 CAS__NUM CAS 83-89-6 DR1377 CHEBINUM 8711 DR1377 PUBCMSID 9546; 598066; 3138736; 5198883; 8150522; 10589337; 11335276; 11360515; 11363823; 11364917; 11366385; 11367479; 11368947; 11370041; 11371712; 11373080; 11374150; 11375641; 11377109; 11378211; 11405321; 11461487; 11466346; 11467466; 11484412; 11486271; 11488704; 11490422; 11492311; 11494743; 11533330; 14781277; 24262994; 24438614; 25820836; 46507828; 47365028; 47440097; 47736309; 48034955; 48034956; 48110303; 48110304; 48184845; 48334330; 48415587; 49698889; 49864262; 50111199; 53790823 DR1379 DRUG__ID DR1379 DR1379 DRUGNAME Quinidine DR1379 PUBCMCID 441074 DR1379 DFORMULA C20H24N2O2 DR1379 INCHIKEY LOUPRKONTZGTKE-LHHVKLHASA-N DR1379 DRUINCHI 1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1 DR1379 CASMILES COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O DR1379 CAS__NUM CAS 56-54-2 DR1379 CHEBINUM 28593 DR1385 DRUG__ID DR1385 DR1385 DRUGNAME Quinine sulfate DR1385 PUBCMCID 11949689 DR1385 TTDRUGID D03DDR DR1385 DFORMULA C20H26N2O6S DR1385 INCHIKEY AKYHKWQPZHDOBW-DSXUQNDKSA-N DR1385 DRUINCHI 1S/C20H24N2O2.H2O4S/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)/t13-,14-,19-,20+;/m0./s1 DR1385 CASMILES COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.OS(=O)(=O)O DR1385 CAS__NUM CAS 549-56-4 DR1387 DRUG__ID DR1387 DR1387 DRUGNAME Rabeprazole sodium DR1387 PUBCMCID 14720269 DR1387 TTDRUGID D0KL4J DR1387 DFORMULA C18H20N3NaO3S DR1387 INCHIKEY KRCQSTCYZUOBHN-UHFFFAOYSA-N DR1387 DRUINCHI 1S/C18H20N3O3S.Na/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18;/h3-4,6-9H,5,10-12H2,1-2H3;/q-1;+1 DR1387 CASMILES CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3[N-]2)OCCCOC.[Na+] DR1387 CAS__NUM CAS 117976-90-6 DR1387 CHEBINUM 8769 DR1388 DRUG__ID DR1388 DR1388 DRUGNAME Raloxifene DR1388 PUBCMCID 5035 DR1388 TTDRUGID D01XBA DR1388 DFORMULA C28H27NO4S DR1388 INCHIKEY GZUITABIAKMVPG-UHFFFAOYSA-N DR1388 DRUINCHI 1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2 DR1388 CASMILES C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O DR1388 CAS__NUM CAS 84449-90-1 DR1388 CHEBINUM 8772 DR1388 PUBCMSID 9437; 831017; 5392969; 7890214; 7980482; 8153100; 11111733; 11111734; 11364773; 11367335; 11369897; 11372937; 11375497; 11378062; 11466890; 11468010; 11486560; 14834427; 24277274; 26705265; 29224106; 46506514; 46519463; 47213213; 47365304; 47662399; 47810849; 47810850; 48035235; 48185088; 48259344; 48416509; 49698670; 50065297; 50105675; 50139488; 50898374; 53788657; 56310724; 56312953; 56313701; 56352882; 56427219; 57322575; 90341181; 91148450; 92308782; 93165668; 93166953; 96025151 DR1390 DRUG__ID DR1390 DR1390 DRUGNAME Raltegravir potassium DR1390 PUBCMCID 23668479 DR1390 TTDRUGID D0I1FQ DR1390 DFORMULA C20H20FKN6O5 DR1390 INCHIKEY IFUKBHBISRAZTF-UHFFFAOYSA-M DR1390 DRUINCHI 1S/C20H21FN6O5.K/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11;/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30);/q;+1/p-1 DR1390 CASMILES CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)[O-])C(=O)NCC3=CC=C(C=C3)F.[K+] DR1390 CAS__NUM CAS 871038-72-1 DR1391 DRUG__ID DR1391 DR1391 DRUGNAME Ramelteon DR1391 PUBCMCID 208902 DR1391 TTDRUGID D0U0KW DR1391 DFORMULA C16H21NO2 DR1391 INCHIKEY YLXDSYKOBKBWJQ-LBPRGKRZSA-N DR1391 DRUINCHI 1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1 DR1391 CASMILES CCC(=O)NCCC1CCC2=C1C3=C(C=C2)OCC3 DR1391 CAS__NUM CAS 196597-26-9 DR1391 CHEBINUM 109549 DR1391 PUBCMSID 9368722; 12015157; 14823708; 14847999; 17396858; 26612945; 30413545; 46505923; 47810466; 50070191; 50070903; 50810551; 57399556; 71825382; 81065549; 85789647; 90342558; 92124722; 92307942; 92721412; 99437057; 103370203; 103838767; 104011788; 113442055; 117539034; 124757124; 124772078; 125163928; 126592922; 126627642; 126651547;126667057; 129814520; 134337398; 135184679; 135651228; 136949090; 137005126; 142796849; 143496454; 152035160; 152164855; 152237728; 152258949; 160647794; 160964318; 162011666; 162184404; 163122411 DR1392 DRUG__ID DR1392 DR1392 DRUGNAME Ramosetron DR1392 PUBCMCID 108000 DR1392 TTDRUGID D0RA9E DR1392 DFORMULA C17H17N3O DR1392 INCHIKEY NTHPAPBPFQJABD-LLVKDONJSA-N DR1392 DRUINCHI 1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1 DR1392 CASMILES CN1C=C(C2=CC=CC=C21)C(=O)C3CCC4=C(C3)NC=N4 DR1392 CAS__NUM CAS 132907-72-3 DR1392 CHEBINUM 135156 DR1392 PUBCMSID 14824418; 14848693; 44436913; 49830772; 50070718; 50112691; 71879502; 79053930; 96025152; 104380246; 124974479; 125084556; 128751655; 131297527; 135141836; 135650885; 137446772; 140430812; 152035422; 172659137; 179149824; 184546127; 198983023; 223562331; 224977577; 226406853; 241031501; 251912291; 251916599 DR1393 DRUG__ID DR1393 DR1393 DRUGNAME Ranitidine DR1393 PUBCMCID 3001055 DR1393 TTDRUGID D0B8WN DR1393 DFORMULA C13H22N4O3S DR1393 INCHIKEY VMXUWOKSQNHOCA-UKTHLTGXSA-N DR1393 DRUINCHI 1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+ DR1393 CASMILES CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C DR1393 CAS__NUM CAS 66357-35-5 DR1393 CHEBINUM 8776 DR1393 PUBCMSID 615112; 7847488; 7980484; 8149747; 10036397; 10532147; 11111714; 11111715; 11113371; 14776753; 26612202; 26680173; 26748519; 26748520; 26753732; 34666962; 46505543; 47216723; 47515261; 47810695; 48184944; 49846707; 49968693; 50100822; 50107423; 50107424; 50139267; 50286426; 53790194; 57410138; 85209253; 85245763; 90341455; 92124471; 92307665; 92711914; 93166337; 99301528; 103091649; 103155999; 103173566; 104171226; 111610678; 117377112; 117814891; 118258804; 124551883; 124636867; 124881290; 124881291 DR1394 DRUG__ID DR1394 DR1394 DRUGNAME Ranolazine DR1394 PUBCMCID 56959 DR1394 TTDRUGID D03HYQ DR1394 DFORMULA C24H33N3O4 DR1394 INCHIKEY XKLMZUWKNUAPSZ-UHFFFAOYSA-N DR1394 DRUINCHI 1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29) DR1394 CASMILES CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O DR1394 CAS__NUM CAS 142387-99-3 DR1394 CHEBINUM 87690 DR1394 PUBCMSID 7980486; 8184974; 12013498; 14856376; 26612929; 26749060; 26749061; 43114706; 46505145; 47207361; 47795040; 48169373; 50070803; 50107515; 51004683; 56463697; 57313861; 81040983; 85171832; 85789241; 90340842; 92124680; 92307911; 92309225; 92712119; 103482101; 104171232; 104253386; 104311416; 117573069; 121363701; 124750209; 124757504; 124799345; 124881338; 124881339; 125164308; 125360240; 126583887; 126622101; 126630205; 126656915; 126666839; 126724363; 129701807; 134338152; 135015431; 135684171; 135692283; 136375567 DR1397 DRUG__ID DR1397 DR1397 DRUGNAME Rasagiline mesylate DR1397 PUBCMCID 3052775 DR1397 TTDRUGID D06OMW DR1397 DFORMULA C13H17NO3S DR1397 INCHIKEY JDBJJCWRXSVHOQ-UTONKHPSSA-N DR1397 DRUINCHI 1S/C12H13N.CH4O3S/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12;1-5(2,3)4/h1,3-6,12-13H,7-9H2;1H3,(H,2,3,4)/t12-;/m1./s1 DR1397 CASMILES CS(=O)(=O)O.C#CCNC1CCC2=CC=CC=C12 DR1397 CAS__NUM CAS 161735-79-1 DR1399 DRUG__ID DR1399 DR1399 DRUGNAME OPC-12759 DR1399 PUBCMCID 5042 DR1399 TTDRUGID D03BQP DR1399 DFORMULA C19H15ClN2O4 DR1399 INCHIKEY ALLWOAVDORUJLA-UHFFFAOYSA-N DR1399 DRUINCHI 1S/C19H15ClN2O4/c20-13-7-5-11(6-8-13)18(24)22-16(19(25)26)9-12-10-17(23)21-15-4-2-1-3-14(12)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26) DR1399 CASMILES C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)O)NC(=O)C3=CC=C(C=C3)Cl DR1399 CAS__NUM CAS 111911-87-6 DR1399 CHEBINUM 93814 DR1399 PUBCMSID 5392994; 7848184; 8153104; 11372977; 11483873; 11487855; 11491774; 12013207; 14877402; 26612890; 26680453; 26749027; 26749028; 29224113; 48328567; 50043069; 50043070; 53787206; 57322578; 74747436; 85175212; 85788525; 88277041; 91011744; 92124604; 92309229; 92713511; 99582548; 104308112; 117664455; 117772935; 118842287; 124637454; 124891853; 124971198; 125275481; 125307349; 125312449; 125325998; 125337900; 125810026; 126617864; 126624745; 126640517; 126663153; 126683520; 127423927; 131294612; 131329793; 131784276 DR1400 DRUG__ID DR1400 DR1400 DRUGNAME Reboxetine DR1400 PUBCMCID 127151 DR1400 TTDRUGID D0N8FQ DR1400 DFORMULA C19H23NO3 DR1400 INCHIKEY CBQGYUDMJHNJBX-RTBURBONSA-N DR1400 DRUINCHI 1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m1/s1 DR1400 CASMILES CCOC1=CC=CC=C1OC(C2CNCCO2)C3=CC=CC=C3 DR1400 CAS__NUM CAS 71620-89-8 DR1400 CHEBINUM 135342 DR1400 PUBCMSID 8189987; 11114256; 14776713; 14801082; 24723456; 43122598; 46504845; 50065436; 50168465; 57315782; 85177295; 85753305; 96026020; 104046804; 104334847; 126650576; 126683279; 134338008; 135253190; 135785545; 137001349; 142214143; 160698609; 160963582; 163213628; 177749680; 178101510; 179338235; 198950509; 198973023; 223519262;223686602; 226420981; 241124852; 241169861; 246640544 DR1401 DRUG__ID DR1401 DR1401 DRUGNAME Regorafenib DR1401 PUBCMCID 11167602 DR1401 TTDRUGID D09GDD DR1401 DFORMULA C21H15ClF4N4O3 DR1401 INCHIKEY FNHKPVJBJVTLMP-UHFFFAOYSA-N DR1401 DRUINCHI 1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) DR1401 CASMILES CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F DR1401 CAS__NUM CAS 755037-03-7 DR1401 CHEBINUM 68647 DR1401 PUBCMSID 16247148; 23360295; 42222352; 75430857; 99437016; 123055398; 124757057; 124772081; 125163861; 126731249; 131480720; 135261819; 135626856; 135727382; 136367351; 136368060; 136920288; 136937804; 136967459; 137245314; 137275982; 142611634; 144115687; 152090526; 152258021; 152258178; 152344131; 160645781; 160647014; 162011543; 162037486; 163698233; 164041884; 164764796; 172087026; 172093559; 174530361; 175267155; 175427139; 178102514; 186014501; 188899566; 198992717; 223381220; 223498454; 223565986; 223680722; 223704854; 223925935; 226756197 DR1403 DRUG__ID DR1403 DR1403 DRUGNAME Remoxipride DR1403 PUBCMCID 54477 DR1403 TTDRUGID D01PIL DR1403 DFORMULA C16H23BrN2O3 DR1403 INCHIKEY GUJRSXAPGDDABA-NSHDSACASA-N DR1403 DRUINCHI 1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1 DR1403 CASMILES CCN1CCCC1CNC(=O)C2=C(C=CC(=C2OC)Br)OC DR1403 CAS__NUM CAS 80125-14-0 DR1403 CHEBINUM 92948 DR1403 PUBCMSID 7980506; 8183659; 11112836; 11113786; 11466999; 11468119; 11486648; 12012970; 14755372; 17396851; 26751966; 34718458; 46508689; 47425546; 47425547; 47721872; 47945090; 47945091; 48095783; 49699324; 49875811; 50104640; 50409168; 57313624; 85788347; 85788802; 92308915; 99381443; 103189253; 103935779; 104304992; 117389433; 124886955; 126671568; 128007637; 134337624; 135014299; 137001507; 137263915; 144204485; 160963755; 163693566; 163853023; 170466425; 172860811; 176484143; 179151044; 198968595; 223541941; 223682010 DR1404 DRUG__ID DR1404 DR1404 DRUGNAME Repaglinide DR1404 PUBCMCID 65981 DR1404 TTDRUGID D0N5YA DR1404 DFORMULA C27H36N2O4 DR1404 INCHIKEY FAEKWTJYAYMJKF-QHCPKHFHSA-N DR1404 DRUINCHI 1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1 DR1404 CASMILES CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O DR1404 CAS__NUM CAS 135062-02-1 DR1404 CHEBINUM 8805 DR1404 PUBCMSID 9872; 7847660; 7980507; 8190080; 11112894; 11467074; 11468194; 11486642; 12014667; 14808699; 14833410; 24724596; 26719812; 43122707; 46386564; 46508150; 47425572; 48244693; 48319772; 48395177; 48416511; 49648522; 49699266; 49888451; 50100536; 52108264; 53789672; 57315871; 81092844; 85788088; 92125938; 92308165; 92308498; 92719265; 93166496; 99218180; 99431925; 99437146; 103394824; 103914669; 104041348; 104179029; 104335174; 117545849; 117873275; 121363609; 124659000; 124757239; 124799919; 125164043 DR1405 DRUG__ID DR1405 DR1405 DRUGNAME Repinotan DR1405 PUBCMCID 198757 DR1405 TTDRUGID D03FKF DR1405 DFORMULA C21H24N2O4S DR1405 INCHIKEY YGYBFMRFXNDIPO-QGZVFWFLSA-N DR1405 DRUINCHI 1S/C21H24N2O4S/c24-21-18-8-2-4-10-20(18)28(25,26)23(21)14-6-5-13-22-15-17-12-11-16-7-1-3-9-19(16)27-17/h1-4,7-10,17,22H,5-6,11-15H2/t17-/m1/s1 DR1405 CASMILES C1CC2=CC=CC=C2OC1CNCCCCN3C(=O)C4=CC=CC=C4S3(=O)=O DR1405 CAS__NUM CAS 144980-29-0 DR1405 PUBCMSID 10263022; 14903639; 14903640; 33518394; 50501990; 57399163; 113468514; 123096754; 129794336; 134339744; 135142362; 135650895; 137249442; 140233804; 162223539; 179149941; 198975668; 223800757; 226973463 DR1406 DRUG__ID DR1406 DR1406 DRUGNAME SRT-501 DR1406 PUBCMCID 445154 DR1406 TTDRUGID D0U3EP DR1406 DFORMULA C14H12O3 DR1406 INCHIKEY LUKBXSAWLPMMSZ-OWOJBTEDSA-N DR1406 DRUINCHI 1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+ DR1406 CASMILES C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O DR1406 CAS__NUM CAS 375823-41-9 DR1406 CHEBINUM 45713 DR1406 PUBCMSID 6374; 458391; 584207; 611168; 837578; 855986; 866574; 7890614; 8145576; 10299643; 10321586; 11537676; 12015089; 14822845; 17388746; 17405667; 22388006; 24278055; 24715042; 24860876; 26512266; 26612338; 26679661; 26697115; 26736772; 26747076; 26747077; 26751586; 26751587; 26759440; 29204531; 36887952; 46386962; 46493745; 46504705; 47291249; 47515445; 47589112; 47959898; 48035263; 48035264; 48185110; 48185111; 48334633; 48424038; 48425593; 49661756; 49698529; 49734167; 49833229 DR1407 DRUG__ID DR1407 DR1407 DRUGNAME Retigabine DR1407 PUBCMCID 121892 DR1407 TTDRUGID D0X7GL DR1407 DFORMULA C16H18FN3O2 DR1407 INCHIKEY PCOBBVZJEWWZFR-UHFFFAOYSA-N DR1407 DRUINCHI 1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21) DR1407 CASMILES CCOC(=O)NC1=C(C=C(C=C1)NCC2=CC=C(C=C2)F)N DR1407 CAS__NUM CAS 150812-12-7 DR1407 CHEBINUM 68584 DR1407 PUBCMSID 854071; 10239851; 12015005; 14800601; 24263039; 29302387; 49898865; 50233601; 53788352; 57339830; 58107328; 85174557; 85202062; 91615883; 92715048; 103220716; 103875964; 104032719; 104414526; 118046799; 118855330; 124490309; 125341609; 126623656; 126655065; 126665918; 128896436; 131299831; 134338628; 135077118; 135650896; 136345679; 136920410; 136946473; 137156938; 141970640; 152034730; 152159608; 160645840; 162011781; 162205078; 163123042; 163620909; 163686230; 164042455; 164194995; 164233343; 164786707; 174006313; 174527464 DR1409 DRUG__ID DR1409 DR1409 DRUGNAME QLT-091001 DR1409 PUBCMCID 638034 DR1409 DFORMULA C22H32O2 DR1409 INCHIKEY QGNJRVVDBSJHIZ-QHLGVNSISA-N DR1409 DRUINCHI 1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+ DR1409 CASMILES CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCOC(=O)C)C)C DR1409 CAS__NUM CAS 127-47-9 DR1409 CHEBINUM 32095 DR1412 DRUG__ID DR1412 DR1412 DRUGNAME Revefenacin DR1412 PUBCMCID 11753673 DR1412 TTDRUGID D0K1ST DR1412 DFORMULA C35H43N5O4 DR1412 INCHIKEY FYDWDCIFZSGNBU-UHFFFAOYSA-N DR1412 DRUINCHI 1S/C35H43N5O4/c1-38(34(42)29-13-11-26(12-14-29)25-40-19-15-28(16-20-40)33(36)41)23-24-39-21-17-30(18-22-39)44-35(43)37-32-10-6-5-9-31(32)27-7-3-2-4-8-27/h2-14,28,30H,15-25H2,1H3,(H2,36,41)(H,37,43) DR1412 CASMILES CN(CCN1CCC(CC1)OC(=O)NC2=CC=CC=C2C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)CN5CCC(CC5)C(=O)N DR1412 CAS__NUM CAS 864750-70-9 DR1413 DRUG__ID DR1413 DR1413 DRUGNAME Ribavirin DR1413 PUBCMCID 37542 DR1413 TTDRUGID D0H3WI DR1413 DFORMULA C8H12N4O5 DR1413 INCHIKEY IWUCXVSUMQZMFG-AFCXAGJDSA-N DR1413 DRUINCHI 1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1 DR1413 CASMILES C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N DR1413 CAS__NUM CAS 36791-04-5 DR1413 CHEBINUM 63580 DR1413 PUBCMSID 595938; 7847489; 7980513; 8139972; 8150084; 8175073; 11335957; 11361196; 11364740; 11367302; 11369864; 11372951; 11374942; 11378029; 11462168; 11491691; 11493066; 11495640; 11528313; 12059582; 14798456; 15122005; 17389529; 17405619; 24278685; 25621753; 26538475; 26612558; 26679740; 34678832; 46505883; 47291173; 47365228; 47440296; 47515344; 47589035; 47885447; 47885448; 48035157; 48416516; 48424047; 48425596; 48631153; 49699015; 50105410; 50105411; 50105412; 50105413; 50474786; 53778169 DR1415 DRUG__ID DR1415 DR1415 DRUGNAME Ribociclib succinate DR1415 PUBCMCID 57334219 DR1415 TTDRUGID D01HVT DR1415 DFORMULA C27H36N8O5 DR1415 INCHIKEY NHANOMFABJQAAH-UHFFFAOYSA-N DR1415 DRUINCHI 1S/C23H30N8O.C4H6O4/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30;5-3(6)1-2-4(7)8/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28);1-2H2,(H,5,6)(H,7,8) DR1415 CASMILES CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5.C(CC(=O)O)C(=O)O DR1415 CAS__NUM CAS 1374639-75-4 DR1415 CHEBINUM 3707266 DR1416 DRUG__ID DR1416 DR1416 DRUGNAME Riboflavin DR1416 PUBCMCID 493570 DR1416 TTDRUGID D04QST DR1416 DFORMULA C17H20N4O6 DR1416 INCHIKEY AUNGANRZJHBGPY-SCRDCRAPSA-N DR1416 DRUINCHI 1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1 DR1416 CASMILES CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O DR1416 CAS__NUM CAS 83-88-5 DR1416 CHEBINUM 17015 DR1416 PUBCMSID 3554; 219403; 587736; 2105997; 3134373; 7847118; 7890227; 8144638; 10312678; 10321452; 11528372; 14829102; 17389635; 22390365; 24714797; 24871529; 24888074; 24899340; 24899370; 24899397; 24899415; 38681417; 46392395; 46393994; 46394126; 46507342; 47193671; 47291288; 47662476; 47810933; 48414969; 48416517; 48424048; 48425597; 49698597; 50124213; 53788970; 57405728; 57654584; 57654591; 78187904; 81044568; 84943984; 87575598; 91697343; 103566330; 109761311; 121363265; 124890711; 124890712 DR1418 DRUG__ID DR1418 DR1418 DRUGNAME Rifabutin DR1418 PUBCMCID 135398743 DR1418 TTDRUGID D05CHI DR1418 DFORMULA C46H62N4O11 DR1418 INCHIKEY ZWBTYMGEBZUQTK-PVLSIAFMSA-N DR1418 DRUINCHI 1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,48,52-55H,16-19,21H2,1-11H3/b13-12+,20-15+,24-14-,47-36?/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1 DR1418 CASMILES CC1C=CC=C(C(=O)N=C2C(=C3C(=C4C2=NC5(N4)CCN(CC5)CC(C)C)C6=C(C(=C3O)C)OC(C6=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)O)C DR1418 CAS__NUM CAS 72559-06-9 DR1418 CHEBINUM 45367 DR1419 DRUG__ID DR1419 DR1419 DRUGNAME KRM-1648 DR1419 PUBCMCID 135431094 DR1419 TTDRUGID D0XW9L DR1419 DFORMULA C51H64N4O13 DR1419 INCHIKEY IXSVOCGZBUJEPI-HTQYORAHSA-N DR1419 DRUINCHI 1S/C51H64N4O13/c1-24(2)23-54-16-18-55(19-17-54)32-21-33(57)39-35(22-32)67-48-40(52-39)36-37-44(60)30(8)47-38(36)49(62)51(10,68-47)65-20-15-34(64-11)27(5)46(66-31(9)56)29(7)43(59)28(6)42(58)25(3)13-12-14-26(4)50(63)53-41(48)45(37)61/h12-15,20-22,24-25,27-29,34,42-43,46,58-60,62H,16-19,23H2,1-11H3,(H,53,63)/b13-12+,20-15+,26-14-/t25-,27+,28+,29+,34-,42-,43+,46+,51-/m0/s1 DR1419 CASMILES CC1C=CC=C(C(=O)NC2=C3C(=C4C(=C(C(=C5C4=C(C(O5)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)O)C)O)C2=O)N=C6C(=CC(=CC6=O)N7CCN(CC7)CC(C)C)O3)C DR1419 CAS__NUM CAS 129791-92-0 DR1420 DRUG__ID DR1420 DR1420 DRUGNAME Rifampicin DR1420 PUBCMCID 135398735 DR1420 DFORMULA C43H58N4O12 DR1420 INCHIKEY JQXXHWHPUNPDRT-WLSIYKJHSA-N DR1420 DRUINCHI 1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1 DR1420 CASMILES CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=NN5CCN(CC5)C)C DR1420 CAS__NUM CAS 13292-46-1 DR1420 CHEBINUM 27470 DR1421 DRUG__ID DR1421 DR1421 DRUGNAME Rifapentine DR1421 PUBCMCID 135403821 DR1421 TTDRUGID D0G9IU DR1421 DFORMULA C47H64N4O12 DR1421 INCHIKEY WDZCUPBHRAEYDL-GZAUEHORSA-N DR1421 DRUINCHI 1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12+,22-17+,25-14-,48-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1 DR1421 CASMILES CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=NN5CCN(CC5)C6CCCC6)C DR1421 CAS__NUM CAS 61379-65-5 DR1421 CHEBINUM 20502 DR1422 DRUG__ID DR1422 DR1422 DRUGNAME Rifaximin DR1422 PUBCMCID 23663402 DR1422 TTDRUGID D04ITO DR1422 DFORMULA C16H14N7NaO5S4 DR1422 INCHIKEY BCMSQWPLFBUUKW-MMDWUFFASA-M DR1422 DRUINCHI 1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11+,17-15+,21-13-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1 DR1422 CASMILES CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=CN=NS4)C(=O)[O-].[Na+] DR1422 CAS__NUM CAS 82219-81-6 DR1424 DRUG__ID DR1424 DR1424 DRUGNAME Rilpivirine hydrochloride DR1424 PUBCMCID 11711114 DR1424 TTDRUGID D0T6WN DR1424 DFORMULA C22H19ClN6 DR1424 INCHIKEY KZVVGZKAVZUACK-BJILWQEISA-N DR1424 DRUINCHI 1S/C22H18N6.ClH/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19;/h3-9,11-13H,1-2H3,(H2,25,26,27,28);1H/b4-3+; DR1424 CASMILES CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)C=CC#N.Cl DR1424 CAS__NUM CAS 700361-47-3 DR1424 CHEBINUM 83309 DR1425 DRUG__ID DR1425 DR1425 DRUGNAME Riluzole DR1425 PUBCMCID 5070 DR1425 TTDRUGID D0H0KB DR1425 DFORMULA C8H5F3N2OS DR1425 INCHIKEY FTALBRSUTCGOEG-UHFFFAOYSA-N DR1425 DRUINCHI 1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13) DR1425 CASMILES C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N DR1425 CAS__NUM CAS 1744-22-5 DR1425 CHEBINUM 8863 DR1425 PUBCMSID 10139; 855844; 866566; 3158794; 7379879; 7735262; 7847840; 7980518; 8153119; 11111722; 11111723; 11113346; 11120296; 11120784; 11121272; 11466195; 11467315; 11484335; 11485690; 11488366; 12013649; 14773880; 17405620; 24278006; 26679689; 26751529; 29224139; 46508094; 47440015; 47515108; 47588789; 47810535; 47810536; 48034873; 48334245; 49698375; 49890627; 50100339; 50104104; 50104105; 53778170; 57322593; 57566695; 57641351; 74971764; 85089205; 85171908; 85231207; 85787918; 85788320 DR1426 DRUG__ID DR1426 DR1426 DRUGNAME Rimexolone DR1426 PUBCMCID 5311412 DR1426 TTDRUGID D0D2TN DR1426 DFORMULA C24H34O3 DR1426 INCHIKEY QTTRZHGPGKRAFB-OOKHYKNYSA-N DR1426 DRUINCHI 1S/C24H34O3/c1-6-20(27)24(5)14(2)11-18-17-8-7-15-12-16(25)9-10-22(15,3)21(17)19(26)13-23(18,24)4/h9-10,12,14,17-19,21,26H,6-8,11,13H2,1-5H3/t14-,17+,18+,19+,21-,22+,23+,24-/m1/s1 DR1426 CASMILES CCC(=O)C1(C(CC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C)C DR1426 CAS__NUM CAS 49697-38-3 DR1426 CHEBINUM 135566 DR1426 PUBCMSID 7980520; 11056486; 11467048; 11468168; 11486786; 12014133; 14804034; 14828819; 39341090; 47207390; 47871005; 47871006; 47871007;48170707; 49699253; 50123981; 56463550; 57359468; 80240860; 85788089; 92126045; 103770600; 103914672; 114156025; 121363716; 124801082; 134224655; 135000880; 137005248; 141792894; 164233438; 164764869; 175267976; 175612108; 178103677; 179149417; 226767286; 244890192 DR1427 DRUG__ID DR1427 DR1427 DRUGNAME Riociguat DR1427 PUBCMCID 11304743 DR1427 TTDRUGID D04UKC DR1427 DFORMULA C20H19FN8O2 DR1427 INCHIKEY WXXSNCNJFUAIDG-UHFFFAOYSA-N DR1427 DRUINCHI 1S/C20H19FN8O2/c1-28(20(30)31-2)15-16(22)25-18(26-17(15)23)14-12-7-5-9-24-19(12)29(27-14)10-11-6-3-4-8-13(11)21/h3-9H,10H2,1-2H3,(H4,22,23,25,26) DR1427 CASMILES CN(C1=C(N=C(N=C1N)C2=NN(C3=C2C=CC=N3)CC4=CC=CC=C4F)N)C(=O)OC DR1427 CAS__NUM CAS 625115-55-1 DR1427 CHEBINUM 76018 DR1427 PUBCMSID 16393220; 23472114; 42384129; 80225677; 87550988; 124490312; 124759703; 126644888; 126680174; 135263495; 136946407; 137126926; 139526076; 144115685; 152040137; 152255058; 152258603; 160647437; 160682218; 164042214; 164347391; 170501515; 172919534; 178101941; 185997052; 198980755; 198993771; 211536089; 223399697; 223676750; 224002579; 226595445; 242826663; 249737057; 249821754; 251971381; 252155071; 252211224; 252216203; 252316121; 252438349; 252553251 DR1428 DRUG__ID DR1428 DR1428 DRUGNAME Risperidone DR1428 PUBCMCID 5073 DR1428 TTDRUGID D01AZG DR1428 DFORMULA C23H27FN4O2 DR1428 INCHIKEY RAPZEAPATHNIPO-UHFFFAOYSA-N DR1428 DRUINCHI 1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3 DR1428 CASMILES CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F DR1428 CAS__NUM CAS 106266-06-2 DR1428 CHEBINUM 8871 DR1428 PUBCMSID 631811; 7379882; 7847492; 7980523; 8153122; 11111724; 11111725; 11467057; 11468177; 11486814; 11528727; 12013967; 14904216; 17405630; 25819945; 26719830; 26753640; 29224142; 46386613; 46505850; 49658633; 49666400; 49681677; 49699257; 49830253; 50106974; 50106975; 50123965; 53778180; 53790689; 57322595; 80652519; 81092846; 85089206; 85170980; 85209258; 85231208; 85788353; 89736125; 92126063; 92303273; 92308377; 92308738; 92712792; 93166420; 93617025; 103170825; 103856459; 103914673; 103916252 DR1429 DRUG__ID DR1429 DR1429 DRUGNAME Ritodrine DR1429 PUBCMCID 33572 DR1429 TTDRUGID D00LFB DR1429 DFORMULA C17H21NO3 DR1429 INCHIKEY IOVGROKTTNBUGK-SJCJKPOMSA-N DR1429 DRUINCHI 1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1 DR1429 CASMILES CC(C(C1=CC=C(C=C1)O)O)NCCC2=CC=C(C=C2)O DR1429 CAS__NUM CAS 26652-09-5 DR1429 CHEBINUM 8872 DR1429 PUBCMSID 9448; 7849418; 10782682; 11466377; 11467497; 11486074; 14922364; 34675370; 46505273; 47365457; 47515589; 47736756; 47885654; 49698446; 49880716; 50124284; 57311534; 77543448; 85788060; 103207155; 104316379; 117557196; 134223139; 134338212; 134997132; 135841429; 137001406; 139650986; 160964208; 163358501; 164038406; 178103867; 179150198; 184546165; 198973441; 223440870; 225144308; 226420705 DR1430 DRUG__ID DR1430 DR1430 DRUGNAME Ritonavir DR1430 PUBCMCID 392622 DR1430 TTDRUGID D0ZU9R DR1430 DFORMULA C37H48N6O5S2 DR1430 INCHIKEY NCDNCNXCDXHOMX-XGKFQTDJSA-N DR1430 DRUINCHI 1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1 DR1430 CASMILES CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O DR1430 CAS__NUM CAS 155213-67-5 DR1430 CHEBINUM 45409 DR1430 PUBCMSID 9449; 523930; 583815; 612199; 822215; 827183; 855141; 7847493; 7890279; 7980525; 8030461; 10279496; 11528746; 12014859; 14766505; 14790837; 17422094; 26719904; 29215414; 46386817; 46392172; 46393138; 46505050; 49681649; 53789763; 57402349; 71825024; 79712259; 81092847; 92308258; 92711419; 93166545; 93167041; 99436927; 103244854; 104178993; 104616751; 104829353; 117877983; 118048821; 124658994; 124757062; 124801360; 124876828; 124892213; 124894323; 125163866; 125333191; 126592976; 126630875 DR1431 DRUG__ID DR1431 DR1431 DRUGNAME Rivaroxaban DR1431 PUBCMCID 9875401 DR1431 TTDRUGID D0KG3R DR1431 DFORMULA C19H18ClN3O5S DR1431 INCHIKEY KGFYHTZWPPHNLQ-AWEZNQCLSA-N DR1431 DRUINCHI 1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1 DR1431 CASMILES C1COCC(=O)N1C2=CC=C(C=C2)N3CC(OC3=O)CNC(=O)C4=CC=C(S4)Cl DR1431 CAS__NUM CAS 366789-02-8 DR1431 CHEBINUM 68579 DR1431 PUBCMSID 14856850; 15279667; 22395270; 24164597; 45622373; 46513422; 51091428; 52936629; 56373953; 57373622;71825413; 87225360; 87557471; 91615930; 93580340; 99444948; 103469795; 109693118; 126659499; 126666963; 134342998; 134358083; 135213418; 135684125; 136375511; 136920411; 137128738; 139479843; 152258851; 152344334; 160645892; 160647701; 160969514; 162172236; 164045359; 164194090; 164824489; 165245531; 170498903; 171578894; 172091286; 174477515; 175266472; 175427064; 175610897; 177748765; 178103004; 180189087; 185985285; 198991713 DR1432 DRUG__ID DR1432 DR1432 DRUGNAME CS-011 DR1432 PUBCMCID 3055168 DR1432 TTDRUGID D08PFA DR1432 DFORMULA C20H19N3O4S DR1432 INCHIKEY XMSXOLDPMGMWTH-UHFFFAOYSA-N DR1432 DRUINCHI 1S/C20H19N3O4S/c1-23-16-10-14(26-2)7-8-15(16)21-18(23)11-27-13-5-3-12(4-6-13)9-17-19(24)22-20(25)28-17/h3-8,10,17H,9,11H2,1-2H3,(H,22,24,25) DR1432 CASMILES CN1C2=C(C=CC(=C2)OC)N=C1COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4 DR1432 CAS__NUM CAS 185428-18-6 DR1433 DRUG__ID DR1433 DR1433 DRUGNAME Rofecoxib DR1433 PUBCMCID 5090 DR1433 TTDRUGID D05VLS DR1433 DFORMULA C17H14O4S DR1433 INCHIKEY RZJQGNCSTQAWON-UHFFFAOYSA-N DR1433 DRUINCHI 1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3 DR1433 CASMILES CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3 DR1433 CAS__NUM CAS 162011-90-7 DR1433 CHEBINUM 8887 DR1433 PUBCMSID 9792; 535364; 5146347; 7847634; 7980536; 8146414; 8153131; 11341940; 11362123; 11362973; 11364757; 11365535; 11367319; 11368097; 11369881; 11372304; 11372922; 11374381; 11375481; 11376259; 11378046; 11445527; 11484228; 11487525; 11488262; 11490968; 11492446; 11493933; 11528653; 12014954; 14752370; 25819946; 26612684; 26680170; 26719838; 26748942; 26748943; 29224158; 46386634; 46504787; 47365310; 47810857; 48334605; 48416526; 49665949; 49666006; 49681737; 49846184; 50107491; 50107492 DR1434 DRUG__ID DR1434 DR1434 DRUGNAME Roflumilast DR1434 PUBCMCID 449193 DR1434 TTDRUGID D0R4UW DR1434 DFORMULA C17H14Cl2F2N2O3 DR1434 INCHIKEY MNDBXUUTURYVHR-UHFFFAOYSA-N DR1434 DRUINCHI 1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24) DR1434 CASMILES C1CC1COC2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3Cl)Cl)OC(F)F DR1434 CAS__NUM CAS 162401-32-3 DR1434 CHEBINUM 47657 DR1434 PUBCMSID 7890296; 10300323; 12014977; 14879303; 36890842; 46393569; 46393577; 46515099; 47207405; 49876227; 50659842; 53788863; 57288829; 57404909; 58108277; 85239858; 87235814; 103463298; 104253463; 104640579; 109693509; 121279025; 124757594; 124772083; 125001902; 125164398; 125536640; 126618387; 126666054; 126731090; 128619725; 134339138; 134339348; 134339400; 134358320; 135114471; 136345716; 136946527; 137010091; 137269493; 142175980; 144223762; 160644734; 162011650; 162037767; 162201204; 163124095; 163406034; 163620892; 163686213 DR1435 DRUG__ID DR1435 DR1435 DRUGNAME BRN-5220127 DR1435 PUBCMCID 5282211 DR1435 TTDRUGID D0L6QI DR1435 DFORMULA C42H69NO15 DR1435 INCHIKEY VYWWNRMSAPEJLS-MDWYKHENSA-N DR1435 DRUINCHI 1S/C42H69NO15/c1-11-16-32(48)55-40-27(6)53-34(23-42(40,7)58-31(47)12-2)56-37-26(5)54-41(36(50)35(37)43(8)9)57-38-28(19-20-44)21-24(3)29(45)18-15-13-14-17-25(4)52-33(49)22-30(46)39(38)51-10/h13-15,18,20,24-30,34-41,45-46,50H,11-12,16-17,19,21-23H2,1-10H3/b14-13+,18-15+/t24-,25-,26-,27+,28+,29+,30-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1 DR1435 CASMILES CCCC(=O)OC1C(OC(CC1(C)OC(=O)CC)OC2C(OC(C(C2N(C)C)O)OC3C(CC(C(C=CC=CCC(OC(=O)CC(C3OC)O)C)O)C)CC=O)C)C DR1435 CAS__NUM CAS 74014-51-0 DR1435 CHEBINUM 32103 DR1435 PUBCMSID 7848959; 8616945; 12012977; 14865109; 39315691; 48416480; 49988909; 57358575; 79070251; 113856681; 117623998; 124766125; 126666648; 135029394; 136923440; 137102255; 162224733; 163414148; 163849054; 179151058; 184546358; 189053409; 196379320; 198948647; 223680285; 226504009; 241133675; 252356495 DR1437 DRUG__ID DR1437 DR1437 DRUGNAME Rolapitant hydrochloride DR1437 PUBCMCID 16203739 DR1437 TTDRUGID D0CF0Y DR1437 DFORMULA C25H29ClF6N2O3 DR1437 INCHIKEY GZQWMYVDLCUBQX-WVZIYJGPSA-N DR1437 DRUINCHI 1S/C184H282N50O60S/c1-16-94(10)147(178(289)213-114(52-58-144(257)258)163(274)218-121(73-101-77-195-105-39-24-23-38-103(101)105)168(279)215-116(68-90(2)3)165(276)205-107(41-26-28-61-186)158(269)219-122(75-134(189)243)154(265)198-79-135(244)196-83-139(248)231-63-30-43-129(231)175(286)225-127(87-238)174(285)223-125(85-236)155(266)200-80-136(245)202-96(12)181(292)233-65-32-45-131(233)183(294)234-66-33-46-132(234)182(293)232-64-31-44-130(232)176(287)222-124(84-235)150(190)261)229-170(281)119(71-99-34-19-17-20-35-99)217-166(277)117(69-91(4)5)214-159(270)108(42-29-62-194-184(191)192)212-177(288)146(93(8)9)228-151(262)95(11)203-156(267)111(49-55-141(251)252)208-161(272)112(50-56-142(253)254)209-162(273)113(51-57-143(255)256)210-164(275)115(59-67-295-15)211-160(271)110(47-53-133(188)242)207-157(268)106(40-25-27-60-185)206-172(283)126(86-237)224-167(278)118(70-92(6)7)216-169(280)123(76-145(259)260)220-173(284)128(88-239)226-180(291)149(98(14)241)230-171(282)120(72-100-36-21-18-22-37-100)221-179(290)148(97(13)240)227-138(247)82-199-153(264)109(48-54-140(249)250)204-137(246)81-197-152(263)104(187)74-102-78-193-89-201-102/h17-24,34-39,77-78,89-98,104,106-132,146-149,195,235-241H,16,25-33,40-76,79-88,185-187H2,1-15H3,(H2,188,242)(H2,189,243)(H2,190,261)(H,193,201)(H,196,244)(H,197,263)(H,198,265)(H,199,264)(H,200,266)(H,202,245)(H,203,267)(H,204,246)(H,205,276)(H,206,283)(H,207,268)(H,208,272)(H,209,273)(H,210,275)(H,211,271)(H,212,288)(H,213,289)(H,214,270)(H,215,279)(H,216,280)(H,217,277)(H,218,274)(H,219,269)(H,220,284)(H,221,290)(H,222,287)(H,223,285)(H,224,278)(H,225,286)(H,226,291)(H,227,247)(H,228,262)(H,229,281)(H,230,282)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H4,191,192,194)/t94-,95-,96-,97+,98+,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,146-,147-,148-,149-/m0/s1 DR1437 CASMILES CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OCC2(CCC3(CCC(=O)N3)CN2)C4=CC=CC=C4.O.Cl DR1438 DRUG__ID DR1438 DR1438 DRUGNAME Romidepsin DR1438 PUBCMCID 5352062 DR1438 TTDRUGID D0L7LC DR1438 DFORMULA C24H36N4O6S2 DR1438 INCHIKEY OHRURASPPZQGQM-GCCNXGTGSA-N DR1438 DRUINCHI 1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1 DR1438 CASMILES CC=C1C(=O)NC(C(=O)OC2CC(=O)NC(C(=O)NC(CSSCCC=C2)C(=O)N1)C(C)C)C(C)C DR1438 CAS__NUM CAS 128517-07-7 DR1438 CHEBINUM 61080 DR1438 PUBCMSID 494874; 8139716; 11650994; 12014448; 14763476; 14763478; 35018633; 46519185; 47208288; 47721651; 47944836; 48394948; 50062237; 50260193; 53788098; 57361456; 87226502; 103393180; 104222481; 113905898; 127325932; 127325933; 131408687; 134338801; 134338973; 134340279; 137156420; 139110210; 152159610; 163620827; 163686155; 164233439; 175266198; 176484649; 178103585; 184816960; 198992824; 224274473; 226087966; 226972555; 251894761; 252430794; 252450287; 252473284 DR1440 DRUG__ID DR1440 DR1440 DRUGNAME Ropinirole hydrochloride DR1440 PUBCMCID 68727 DR1440 TTDRUGID D0R9EQ DR1440 DFORMULA C16H25ClN2O DR1440 INCHIKEY XDXHAEQXIBQUEZ-UHFFFAOYSA-N DR1440 DRUINCHI 1S/C16H24N2O.ClH/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15;/h5-7H,3-4,8-12H2,1-2H3,(H,17,19);1H DR1440 CASMILES CCCN(CCC)CCC1=C2CC(=O)NC2=CC=C1.Cl DR1440 CAS__NUM CAS 91374-20-8 DR1440 CHEBINUM 8889 DR1442 DRUG__ID DR1442 DR1442 DRUGNAME Ropivacaine hydrochloride DR1442 PUBCMCID 175804 DR1442 TTDRUGID D09RHQ DR1442 DFORMULA C17H27ClN2O DR1442 INCHIKEY NDNSIBYYUOEUSV-RSAXXLAASA-N DR1442 DRUINCHI 1S/C17H26N2O.ClH/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3;/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20);1H/t15-;/m0./s1 DR1442 CASMILES CCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C.Cl DR1442 CAS__NUM CAS 98717-15-8 DR1442 CHEBINUM 60803 DR1443 DRUG__ID DR1443 DR1443 DRUGNAME FCF-89 DR1443 PUBCMCID 54676478 DR1443 TTDRUGID D0G9ZW DR1443 DFORMULA C18H16N2O3 DR1443 INCHIKEY SGOOQMRIPALTEL-UHFFFAOYSA-N DR1443 DRUINCHI 1S/C18H16N2O3/c1-19(12-8-4-3-5-9-12)17(22)15-16(21)13-10-6-7-11-14(13)20(2)18(15)23/h3-11,21H,1-2H3 DR1443 CASMILES CN1C2=CC=CC=C2C(=C(C1=O)C(=O)N(C)C3=CC=CC=C3)O DR1443 CAS__NUM CAS 84088-42-6 DR1443 CHEBINUM 92056 DR1444 DRUG__ID DR1444 DR1444 DRUGNAME Rosiglitazone DR1444 PUBCMCID 77999 DR1444 DFORMULA C18H19N3O3S DR1444 INCHIKEY YASAKCUCGLMORW-UHFFFAOYSA-N DR1444 DRUINCHI 1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23) DR1444 CASMILES CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3 DR1444 CAS__NUM CAS 122320-73-4 DR1444 CHEBINUM 50122 DR1445 DRUG__ID DR1445 DR1445 DRUGNAME Rosuvastatin DR1445 PUBCMCID 446157 DR1445 TTDRUGID D0JE2E DR1445 DFORMULA C22H28FN3O6S DR1445 INCHIKEY BPRHUIZQVSMCRT-VEUZHWNKSA-N DR1445 DRUINCHI 1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1 DR1445 CASMILES CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C DR1445 CAS__NUM CAS 287714-41-4 DR1445 CHEBINUM 38545 DR1445 PUBCMSID 822168; 10299840; 14810118; 14834808; 24775831; 26612833; 26680899; 36888655; 46509022; 46518448; 47960010; 48035409; 50070881; 50122666; 53790555; 57404725; 80442666; 88531873; 92124833; 96025178; 103556348; 104635880; 104829200; 124637938; 126680774; 126731182; 127315738; 127315739; 127315740; 127315741; 127315742; 127315743; 127315744; 127315745; 127315746; 127315747; 127315748; 127315749; 127315750; 127315751; 127315752; 127315753; 127315754; 127315755; 127315756; 127315757; 127315758; 135084331; 135650928; 135723476 DR1446 DRUG__ID DR1446 DR1446 DRUGNAME Rotigotine DR1446 PUBCMCID 59227 DR1446 DFORMULA C19H25NOS DR1446 INCHIKEY KFQYTPMOWPVWEJ-INIZCTEOSA-N DR1446 DRUINCHI 1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1 DR1446 CASMILES CCCN(CCC1=CC=CS1)C2CCC3=C(C2)C=CC=C3O DR1446 CAS__NUM CAS 99755-59-6 DR1446 CHEBINUM 135351 DR1447 DRUG__ID DR1447 DR1447 DRUGNAME Roxatidine DR1447 PUBCMCID 91276 DR1447 DFORMULA C17H26N2O3 DR1447 INCHIKEY BCCREUFCSIMJFS-UHFFFAOYSA-N DR1447 DRUINCHI 1S/C17H26N2O3/c20-14-17(21)18-8-5-11-22-16-7-4-6-15(12-16)13-19-9-2-1-3-10-19/h4,6-7,12,20H,1-3,5,8-11,13-14H2,(H,18,21) DR1447 CASMILES C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CO DR1447 CAS__NUM CAS 78273-80-0 DR1448 DRUG__ID DR1448 DR1448 DRUGNAME Roxithromycin DR1448 PUBCMCID 6915744 DR1448 TTDRUGID D0Y4FL DR1448 DFORMULA C41H76N2O15 DR1448 INCHIKEY RXZBMPWDPOLZGW-XMRMVWPWSA-N DR1448 DRUINCHI 1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1 DR1448 CASMILES CCC1C(C(C(C(=NOCOCCOC)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O DR1448 CAS__NUM CAS 80214-83-1 DR1448 CHEBINUM 48935 DR1448 PUBCMSID 585237; 602768; 7848773; 7890303; 8149971; 14791576; 14816129; 17193218; 26612461; 26681158; 43527885; 46507676; 47500552; 48020029; 48020030; 49658614; 49658887; 49835235; 50123162; 50599965; 53787485; 56314318; 57288831; 57371618; 81093210; 88283688; 92124863; 92307881; 99301470; 104240364; 114784612; 124637170; 135013062; 137003693; 137241413; 144075595; 152109149; 162107641; 176251435; 179038902; 179113863; 210279582; 210281905; 226447059; 252401199 DR1449 DRUG__ID DR1449 DR1449 DRUGNAME Rucaparib DR1449 PUBCMCID 9931954 DR1449 TTDRUGID D01SHZ DR1449 DFORMULA C19H18FN3O DR1449 INCHIKEY HMABYWSNWIZPAG-UHFFFAOYSA-N DR1449 DRUINCHI 1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24) DR1449 CASMILES CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2 DR1449 CAS__NUM CAS 283173-50-2 DR1449 CHEBINUM 94311 DR1449 PUBCMSID 16463842; 24207084; 76934109; 103769588; 103905261; 121278129; 128080164; 135626799; 137263927; 137276017; 142270192; 152037846; 162108736; 162829534; 164208495; 170474818; 172918029; 174006354; 177748908; 185992962; 194944026; 198980201; 210274713; 210280347; 223366069; 223471430; 223804825; 227116711; 249625884 DR1450 DRUG__ID DR1450 DR1450 DRUGNAME Rufinamide DR1450 PUBCMCID 129228 DR1450 TTDRUGID D0MD2L DR1450 DFORMULA C10H8F2N4O DR1450 INCHIKEY POGQSBRIGCQNEG-UHFFFAOYSA-N DR1450 DRUINCHI 1S/C10H8F2N4O/c11-7-2-1-3-8(12)6(7)4-16-5-9(10(13)17)14-15-16/h1-3,5H,4H2,(H2,13,17) DR1450 CASMILES C1=CC(=C(C(=C1)F)CN2C=C(N=N2)C(=O)N)F DR1450 CAS__NUM CAS 106308-44-5 DR1450 CHEBINUM 134966 DR1450 PUBCMSID 10242268; 12014051; 15121846; 24724595; 29217641; 29308110; 47207436; 50111716; 56320687; 56323499; 57342925; 58107211; 80334982; 90341717; 90342554; 92718980; 93309661; 99437055; 103771489; 104369993; 109693097; 118317931; 121361738; 124757121; 124772079; 124800269; 125163925; 125337281; 126600262; 126621181; 126651848; 126667055; 128944616; 131293789; 134338700; 134340299; 135085479; 135653558; 135698201; 136343339; 137027833; 137255007; 142190226; 143493273; 144205820; 152241718;162037521; 162184408; 163124160; 163564750 DR1451 DRUG__ID DR1451 DR1451 DRUGNAME Rupatadine DR1451 PUBCMCID 133016 DR1451 TTDRUGID D0S1CQ DR1451 DFORMULA C26H29Cl4N3 DR1451 INCHIKEY BQFOTHHRVVHLEW-UHFFFAOYSA-N DR1451 DRUINCHI 1S/C26H26ClN3/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3 DR1451 CASMILES CC1=CC(=CN=C1)CN2CCC(=C3C4=C(CCC5=C3N=CC=C5)C=C(C=C4)Cl)CC2.Cl.Cl.Cl DR1451 CAS__NUM CAS 158876-82-5 DR1454 DRUG__ID DR1454 DR1454 DRUGNAME Ruxolitinib phosphate DR1454 PUBCMCID 25127112 DR1454 TTDRUGID D0D8KQ DR1454 DFORMULA C17H21N6O4P DR1454 INCHIKEY JFMWPOCYMYGEDM-XFULWGLBSA-N DR1454 DRUINCHI 1S/C17H18N6.H3O4P/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16;1-5(2,3)4/h6,8-12,15H,1-5H2,(H,19,20,21);(H3,1,2,3,4)/t15-;/m1./s1 DR1454 CASMILES C1CCC(C1)C(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3.OP(=O)(O)O DR1454 CAS__NUM CAS 1092939-17-7 DR1454 CHEBINUM 66917 DR1456 DRUG__ID DR1456 DR1456 DRUGNAME Safinamide mesylate DR1456 PUBCMCID 3038502 DR1456 TTDRUGID D0XM1A DR1456 DFORMULA C18H23FN2O5S DR1456 INCHIKEY YKOCHIUQOBQIAC-YDALLXLXSA-N DR1456 DRUINCHI 1S/C17H19FN2O2.CH4O3S/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14;1-5(2,3)4/h2-9,12,20H,10-11H2,1H3,(H2,19,21);1H3,(H,2,3,4)/t12-;/m0./s1 DR1456 CASMILES CC(C(=O)N)NCC1=CC=C(C=C1)OCC2=CC(=CC=C2)F.CS(=O)(=O)O DR1456 CAS__NUM CAS 202825-46-5 DR1457 DRUG__ID DR1457 DR1457 DRUGNAME Salbutamol DR1457 PUBCMCID 2083 DR1457 TTDRUGID D0K5CB DR1457 DFORMULA C13H21NO3 DR1457 INCHIKEY NDAUXUAQIAJITI-UHFFFAOYSA-N DR1457 DRUINCHI 1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3 DR1457 CASMILES CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O DR1457 CAS__NUM CAS 18559-94-9 DR1457 CHEBINUM 2549 DR1457 PUBCMSID 597388; 7344408; 7849208; 7978655; 8149629; 8151417; 10321625; 11120326; 11120814; 11121302; 11336118; 11361357; 11363094; 11365656; 11368218; 11374433; 11376380; 11462329; 11466226; 11467346; 11485275; 11485812; 11489166; 11492702; 11494014; 11534310; 14749528; 17405646; 24278712; 24398148; 24715045; 24870392; 26512265; 26612020; 26679714; 26747122; 26747123; 26751812; 29221263; 46505312; 47216846; 47291208; 47440349; 47515382; 47515383; 47662364; 47736569; 47810828; 47810829; 47959843 DR1458 DRUG__ID DR1458 DR1458 DRUGNAME ANW-43703 DR1458 PUBCMCID 338 DR1458 TTDRUGID D07HBX DR1458 DFORMULA C7H6O3 DR1458 INCHIKEY YGSDEFSMJLZEOE-UHFFFAOYSA-N DR1458 DRUINCHI 1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) DR1458 CASMILES C1=CC=C(C(=C1)C(=O)O)O DR1458 CAS__NUM CAS 69-72-7 DR1458 CHEBINUM 16914 DR1458 PUBCMSID 4063; 67116; 587978; 602430; 819755; 819897; 823464; 826329; 841486; 854399; 3135021; 6435737; 7694870; 7847165; 7890372; 7980555; 8139912; 8145741; 8150584; 10318573; 10533161; 11335476; 11360715; 11363842; 11366404; 11368966; 11377128; 11461687; 11494762; 14747739; 17435988; 17435989; 22391538; 24438713; 24715046; 24846714; 24854876; 24856524; 24888186; 24899681; 24899745; 24899797; 24901960; 26512236; 26736241; 26754507; 29215390; 29497303; 33247984; 46487944 DR1460 DRUG__ID DR1460 DR1460 DRUGNAME Salmeterol xinafoate DR1460 PUBCMCID 56801 DR1460 TTDRUGID D0L5YV DR1460 DFORMULA C36H45NO7 DR1460 INCHIKEY XTZNCVSCVHTPAI-UHFFFAOYSA-N DR1460 DRUINCHI 1S/C25H37NO4.C11H8O3/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21;12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2;1-6,12H,(H,13,14) DR1460 CASMILES C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O.C1=CC=C2C(=C1)C=CC(=C2O)C(=O)O DR1460 CAS__NUM CAS 94749-08-3 DR1460 CHEBINUM 9012 DR1462 DRUG__ID DR1462 DR1462 DRUGNAME Saquinavir mesylate DR1462 PUBCMCID 60934 DR1462 TTDRUGID D0WI3T DR1462 DFORMULA C39H54N6O8S DR1462 INCHIKEY IRHXGOXEBNJUSN-YOXDLBRISA-N DR1462 DRUINCHI 1S/C38H50N6O5.CH4O3S/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29;1-5(2,3)4/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49);1H3,(H,2,3,4)/t26-,27+,30-,31-,32-,33+;/m0./s1 DR1462 CASMILES CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(C(CC3=CC=CC=C3)NC(=O)C(CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O.CS(=O)(=O)O DR1462 CAS__NUM CAS 149845-06-7 DR1462 CHEBINUM 32121 DR1465 DRUG__ID DR1465 DR1465 DRUGNAME Saxagliptin hydrochloride DR1465 PUBCMCID 49800073 DR1465 TTDRUGID D0K9MY DR1465 DFORMULA C18H26ClN3O2 DR1465 INCHIKEY TUAZNHHHYVBVBR-NHKADLRUSA-N DR1465 DRUINCHI 1S/C18H25N3O2.ClH/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17;/h10-15,23H,1-7,9,20H2;1H/t10?,11?,12-,13+,14+,15-,17?,18?;/m1./s1 DR1465 CASMILES C1C2CC2N(C1C#N)C(=O)C(C34CC5CC(C3)CC(C5)(C4)O)N.Cl DR1465 CAS__NUM CAS 709031-78-7 DR1467 DRUG__ID DR1467 DR1467 DRUGNAME Selegiline hydrochloride DR1467 PUBCMCID 26758 DR1467 TTDRUGID D0J2MJ DR1467 DFORMULA C13H18ClN DR1467 INCHIKEY IYETZZCWLLUHIJ-UTONKHPSSA-N DR1467 DRUINCHI 1S/C13H17N.ClH/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13;/h1,5-9,12H,10-11H2,2-3H3;1H/t12-;/m1./s1 DR1467 CASMILES CC(CC1=CC=CC=C1)N(C)CC#C.Cl DR1467 CAS__NUM CAS 14611-52-0 DR1467 CHEBINUM 9087 DR1468 DRUG__ID DR1468 DR1468 DRUGNAME Selenious acid DR1468 PUBCMCID 1091 DR1468 DFORMULA H2O3Se DR1468 INCHIKEY MCAHWIHFGHIESP-UHFFFAOYSA-N DR1468 DRUINCHI 1S/H2O3Se/c1-4(2)3/h(H2,1,2,3) DR1468 CASMILES O[Se](=O)O DR1468 CAS__NUM CAS 7783-00-8 DR1468 CHEBINUM 26642 DR1469 DRUG__ID DR1469 DR1469 DRUGNAME Selenium DR1469 PUBCMCID 6326970 DR1469 DFORMULA Se DR1469 INCHIKEY BUGBHKTXTAQXES-UHFFFAOYSA-N DR1469 DRUINCHI 1S/Se DR1469 CASMILES [Se] DR1469 CAS__NUM CAS 7782-49-2 DR1469 CHEBINUM 27568 DR1470 DRUG__ID DR1470 DR1470 DRUGNAME CB-44212 DR1470 PUBCMCID 9942725 DR1470 TTDRUGID D0L9AJ DR1470 DFORMULA C10H14F2N2O2 DR1470 INCHIKEY ANWPENAPCIFDSZ-RQJHMYQMSA-N DR1470 DRUINCHI 1S/C10H14F2N2O2/c1-2-7(10(13)16)14-5-6(3-8(11)12)4-9(14)15/h3,6-7H,2,4-5H2,1H3,(H2,13,16)/t6-,7+/m1/s1 DR1470 CASMILES CCC(C(=O)N)N1CC(CC1=O)C=C(F)F DR1470 CAS__NUM CAS 357336-74-4 DR1470 PUBCMSID 14916934; 24714958; 29195874; 47207478; 57373862; 78501895; 134222132; 135207231; 137147450; 140194558; 175427051; 198964485; 226717568; 244613387 DR1471 DRUG__ID DR1471 DR1471 DRUGNAME Selexipag DR1471 PUBCMCID 9913767 DR1471 TTDRUGID D0N2SR DR1471 DFORMULA C26H32N4O4S DR1471 INCHIKEY QXWZQTURMXZVHJ-UHFFFAOYSA-N DR1471 DRUINCHI 1S/C26H32N4O4S/c1-20(2)30(16-10-11-17-34-19-24(31)29-35(3,32)33)23-18-27-25(21-12-6-4-7-13-21)26(28-23)22-14-8-5-9-15-22/h4-9,12-15,18,20H,10-11,16-17,19H2,1-3H3,(H,29,31) DR1471 CASMILES CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)C=CCN(C)C DR1471 CAS__NUM CAS 698387-09-6 DR1471 CHEBINUM 90844 DR1471 PUBCMSID 14884195; 24193522; 45985422; 71826069; 75827381; 103543954; 125335605; 127344242; 127344243; 135268706; 135626715; 163125035; 163893551; 198953024; 204362837; 208265357; 223365888; 223872265; 226969886; 241376405; 244974834; 252157218; 252228662; 252480281 DR1472 DRUG__ID DR1472 DR1472 DRUGNAME Selinexor DR1472 PUBCMCID 71481097 DR1472 TTDRUGID D00LNW DR1472 DFORMULA C17H11F6N7O DR1472 INCHIKEY DEVSOMFAQLZNKR-RJRFIUFISA-N DR1472 DRUINCHI 1S/C17H11F6N7O/c18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)15-26-9-30(29-15)4-1-14(31)28-27-13-8-24-2-3-25-13/h1-9H,(H,25,27)(H,28,31)/b4-1- DR1472 CASMILES C1=CN=C(C=N1)NNC(=O)C=CN2C=NC(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F DR1472 CAS__NUM CAS 1393477-72-9 DR1472 PUBCMSID 163453790; 172650933; 174009346; 198946299; 223471411; 224765892; 239654024; 252472214 DR1473 DRUG__ID DR1473 DR1473 DRUGNAME Semaglutide DR1473 PUBCMCID 56843331 DR1473 TTDRUGID D02ULU DR1473 DFORMULA C187H291N45O59 DR1473 INCHIKEY DLSWIYLPEUIQAV-CCUURXOWSA-N DR1473 DRUINCHI 1S/C187H291N45O59/c1-18-105(10)154(180(282)208-108(13)159(261)216-133(86-114-89-200-119-50-40-39-49-117(114)119)170(272)218-129(82-102(4)5)171(273)228-152(103(6)7)178(280)215-121(53-44-72-199-186(192)193)162(264)201-91-141(242)209-120(52-43-71-198-185(190)191)161(263)204-94-151(257)258)230-172(274)131(83-111-45-33-31-34-46-111)219-167(269)126(64-69-149(253)254)214-166(268)122(51-41-42-70-195-144(245)98-290-79-78-289-76-74-197-145(246)99-291-80-77-288-75-73-196-139(240)66-61-127(183(285)286)211-140(241)54-37-29-27-25-23-21-19-20-22-24-26-28-30-38-55-146(247)248)212-158(260)107(12)206-157(259)106(11)207-165(267)125(60-65-138(189)239)210-142(243)92-202-163(265)123(62-67-147(249)250)213-168(270)128(81-101(2)3)217-169(271)130(85-113-56-58-116(238)59-57-113)220-175(277)135(95-233)223-177(279)137(97-235)224-179(281)153(104(8)9)229-174(276)134(88-150(255)256)221-176(278)136(96-234)225-182(284)156(110(15)237)231-173(275)132(84-112-47-35-32-36-48-112)222-181(283)155(109(14)236)227-143(244)93-203-164(266)124(63-68-148(251)252)226-184(287)187(16,17)232-160(262)118(188)87-115-90-194-100-205-115/h31-36,39-40,45-50,56-59,89-90,100-110,118,120-137,152-156,200,233-238H,18-30,37-38,41-44,51-55,60-88,91-99,188H2,1-17H3,(H2,189,239)(H,194,205)(H,195,245)(H,196,240)(H,197,246)(H,201,264)(H,202,265)(H,203,266)(H,204,263)(H,206,259)(H,207,267)(H,208,282)(H,209,242)(H,210,243)(H,211,241)(H,212,260)(H,213,270)(H,214,268)(H,215,280)(H,216,261)(H,217,271)(H,218,272)(H,219,269)(H,220,277)(H,221,278)(H,222,283)(H,223,279)(H,224,281)(H,225,284)(H,226,287)(H,227,244)(H,228,273)(H,229,276)(H,230,274)(H,231,275)(H,232,262)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,285,286)(H4,190,191,198)(H4,192,193,199)/t105-,106-,107-,108-,109+,110+,118-,120-,121-,122-,123-,124-,125-,126-,127+,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,152-,153-,154-,155-,156-/m0/s1 DR1473 CASMILES CCC(C)C(C(=O)NC(C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(C(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(=O)N)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(C)(C)NC(=O)C(CC6=CN=CN6)N DR1473 CAS__NUM CAS 910463-68-2 DR1473 PUBCMSID 135267256; 198977278 DR1474 DRUG__ID DR1474 DR1474 DRUGNAME ABT-001 DR1474 PUBCMCID 2449 DR1474 TTDRUGID D04SPK DR1474 DFORMULA C22H26O4 DR1474 INCHIKEY ZBVKEHDGYSLCCC-UHFFFAOYSA-N DR1474 DRUINCHI 1S/C22H26O4/c1-14-15(2)22(26)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-11,18H,5,8-9,12-13H2,1-3H3,(H,23,24) DR1474 CASMILES CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)C2=CC=CC=C2)C DR1474 CAS__NUM CAS 112665-43-7 DR1474 CHEBINUM 32126 DR1474 PUBCMSID 5584519; 7848186; 7980464; 8151634; 12013832; 14876439; 29221613; 48414587; 49830166; 49880326; 50125893;57321321; 74807047; 81094522; 85210460; 91615962; 103267220; 103808130; 104300620; 117584139; 121362280; 126671552; 129880275; 131294765; 134224157; 134338980; 134340368; 135017832; 135371343; 135697578; 137010169; 137619469; 144076118; 144206327; 152051244; 162011717; 162176641; 162311097; 162776232; 164233644; 164814859; 165235264; 166226111; 170465940; 175607568; 179148424; 184546209; 204380861; 210279852; 210282175 DR1475 DRUG__ID DR1475 DR1475 DRUGNAME Sertindole DR1475 PUBCMCID 60149 DR1475 TTDRUGID D0OS6O DR1475 DFORMULA C24H26ClFN4O DR1475 INCHIKEY GZKLJWGUPQBVJQ-UHFFFAOYSA-N DR1475 DRUINCHI 1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31) DR1475 CASMILES C1CN(CCC1C2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F)CCN5CCNC5=O DR1475 CAS__NUM CAS 106516-24-9 DR1475 CHEBINUM 9122 DR1475 PUBCMSID 9770; 7784967; 7847627; 7980592; 8186683; 12014521; 14905937; 43117580; 46504717; 48404531; 48404532; 49658631; 49980396; 50126331; 57313990; 77724750; 85210033; 96099950; 103173691; 103916159; 104319988; 117509987; 124893731; 125680554; 126683187; 128028443; 134338112; 135018676; 135651037; 135697546; 136949646; 137001500; 141946620; 144206958; 144206971; 152102035; 160967846; 163123216; 164764990; 170465613; 175268585; 175611946; 176246043; 179149542; 186006552; 196408596; 204360402; 210275096; 210280735; 223382206 DR1477 DRUG__ID DR1477 DR1477 DRUGNAME Sertraline hydrochloride DR1477 PUBCMCID 63009 DR1477 TTDRUGID D0K0TC DR1477 DFORMULA C17H18Cl3N DR1477 INCHIKEY BLFQGGGGFNSJKA-XHXSRVRCSA-N DR1477 DRUINCHI 1S/C17H17Cl2N.ClH/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11;/h2-6,8,10,12,17,20H,7,9H2,1H3;1H/t12-,17-;/m0./s1 DR1477 CASMILES CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl DR1477 CAS__NUM CAS 79559-97-0 DR1477 CHEBINUM 9124 DR1478 DRUG__ID DR1478 DR1478 DRUGNAME Sevoflurane DR1478 PUBCMCID 5206 DR1478 TTDRUGID D0W6ZF DR1478 DFORMULA C4H3F7O DR1478 INCHIKEY DFEYYRMXOJXZRJ-UHFFFAOYSA-N DR1478 DRUINCHI 1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2 DR1478 CASMILES C(OC(C(F)(F)F)C(F)(F)F)F DR1478 CAS__NUM CAS 28523-86-6 DR1478 CHEBINUM 9130 DR1478 PUBCMSID 9723; 3215276; 6493020; 7847613; 7980594; 8153199; 12012762; 12075314; 15120951; 29224263; 46508591; 49968899; 50112674; 50769024; 57322653; 81065570; 85305373; 87560819; 92714283; 95693806; 99452954; 103770677; 104308565; 121362326; 125368119; 126624262; 126655524; 127726271; 131308872; 131465785; 134213127; 134337983; 134997737; 135589757; 137005407; 142416197; 143461391; 144076360; 144205978; 160810390; 160964568; 162177516; 162829968; 164791075; 174528671; 175268320; 175611312; 176247785; 178103869; 179116892 DR1479 DRUG__ID DR1479 DR1479 DRUGNAME Sibutramine DR1479 PUBCMCID 5210 DR1479 TTDRUGID D08KVZ DR1479 DFORMULA C17H26ClN DR1479 INCHIKEY UNAANXDKBXWMLN-UHFFFAOYSA-N DR1479 DRUINCHI 1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3 DR1479 CASMILES CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N(C)C DR1479 CAS__NUM CAS 106650-56-0 DR1479 CHEBINUM 9137 DR1479 PUBCMSID 9456; 3206268; 4368412; 7980597; 8153202; 11364918; 11367480; 11370042; 11372056; 11374791; 11378212; 11485348;11489502; 11490824; 11492951; 11495775; 14750864; 29224267; 46387014; 46507740; 47509538; 47805058; 48416537; 49732001; 49816816; 49830262; 50064120; 50105677; 50474598; 57322655; 81040718; 85279508;92308675; 92309273; 92714514; 93625048; 96025198; 103498411; 104308577; 108667174; 118048829; 121147434; 124659142; 124813324; 125311920; 125325628; 125337324; 126629463; 126655363; 126682940 DR1481 DRUG__ID DR1481 DR1481 DRUGNAME Sildenafil citrate DR1481 PUBCMCID 135413523 DR1481 DFORMULA C28H38N6O11S DR1481 INCHIKEY DEIYFTQMQPDXOT-UHFFFAOYSA-N DR1481 DRUINCHI 1S/C22H30N6O4S.C6H8O7/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) DR1481 CASMILES CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O DR1481 CAS__NUM CAS 171599-83-0 DR1481 CHEBINUM 31307 DR1482 DRUG__ID DR1482 DR1482 DRUGNAME Silodosin DR1482 PUBCMCID 5312125 DR1482 TTDRUGID D0U0VU DR1482 DFORMULA C25H32F3N3O4 DR1482 INCHIKEY PNCPYILNMDWPEY-QGZVFWFLSA-N DR1482 DRUINCHI 1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1 DR1482 CASMILES CC(CC1=CC2=C(C(=C1)C(=O)N)N(CC2)CCCO)NCCOC3=CC=CC=C3OCC(F)(F)F DR1482 CAS__NUM CAS 160970-54-7 DR1482 CHEBINUM 135929 DR1482 PUBCMSID 7849027; 7979683; 11056891; 12014894; 14810706; 14835413; 39341745; 57359519; 80176928; 92098546; 99299508; 103194366; 104046714; 109693099; 114157936; 126623000; 126665711; 128939931; 131300819; 134339064; 134340151; 134342132; 135252710; 135368407; 135650458; 135916576; 137248544; 142093997; 152258092; 152344280; 160646931; 162011672; 162172235; 162223757; 163884568; 164765008; 164777753; 172085148; 174527805; 175266679; 175427058; 175612190; 179150028; 184816547; 187071911; 198991703; 202821102; 211536181; 223392962; 223484371 DR1484 DRUG__ID DR1484 DR1484 DRUGNAME Simeprevir sodium DR1484 PUBCMCID 46866715 DR1484 TTDRUGID D00TLP DR1484 DFORMULA C38H46N5NaO7S2 DR1484 INCHIKEY LLXQGDWGCCKOQP-MVZLLIIPSA-M DR1484 DRUINCHI 1S/C38H47N5O7S2.Na/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25;/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H2,41,42,44,46);/q;+1/p-1/b10-8-;/t23-,24-,27-,28-,38-;/m1./s1 DR1484 CASMILES CC1=C(C=CC2=C1N=C(C=C2OC3CC4C(C3)C(=O)N(CCCCC=CC5CC5(NC4=O)C(=O)[N-]S(=O)(=O)C6CC6)C)C7=NC(=CS7)C(C)C)OC.[Na+] DR1484 CAS__NUM CAS 1241946-89-3 DR1485 DRUG__ID DR1485 DR1485 DRUGNAME Simvastatin DR1485 PUBCMCID 54454 DR1485 TTDRUGID D0H0ND DR1485 DFORMULA C25H38O5 DR1485 INCHIKEY RYMZZMVNJRMUDD-HGQWONQESA-N DR1485 DRUINCHI 1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1 DR1485 CASMILES CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C DR1485 CAS__NUM CAS 79902-63-9 DR1485 CHEBINUM 9150 DR1485 PUBCMSID 496592; 648581; 7847500; 7980599; 8183649; 10321271; 10852028; 11113242; 11342166; 11362349; 11364611; 11367173; 11369735; 11371657; 11374383; 11377897; 11466893; 11468013; 11485617; 11486566; 11487751; 11489487; 11490485; 11492447; 11495531; 11528633; 11533326; 12013879; 12146013; 14831549; 14929313; 24724617; 25819951; 26612685; 26680673; 26759532; 34718442; 46508654; 47365442; 47440515; 47736737; 47885633; 47885634; 48110715; 48334759; 48416540; 49698671; 50086525; 50100555; 50100556 DR1487 DRUG__ID DR1487 DR1487 DRUGNAME Siponimod DR1487 PUBCMCID 44599207 DR1487 DFORMULA C29H35F3N2O3 DR1487 INCHIKEY KIHYPELVXPAIDH-HNSNBQBZSA-N DR1487 DRUINCHI 1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+ DR1487 CASMILES CCC1=C(C=CC(=C1)C(=NOCC2=CC(=C(C=C2)C3CCCCC3)C(F)(F)F)C)CN4CC(C4)C(=O)O DR1487 CAS__NUM CAS 1230487-00-9 DR1488 DRUG__ID DR1488 DR1488 DRUGNAME BAF-312 DR1488 PUBCMCID 46700777 DR1488 TTDRUGID D07FKQ DR1488 DFORMULA C62H74F6N4O10 DR1488 INCHIKEY JNLIKIBISICTMS-PEJBKAKVSA-N DR1488 DRUINCHI 1S/2C29H35F3N2O3.C4H4O4/c2*1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32;5-3(6)1-2-4(7)8/h2*9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36);1-2H,(H,5,6)(H,7,8)/b2*33-19+;2-1+ DR1488 CASMILES CCC1=C(C=CC(=C1)C(=NOCC2=CC(=C(C=C2)C3CCCCC3)C(F)(F)F)C)CN4CC(C4)C(=O)O.CCC1=C(C=CC(=C1)C(=NOCC2=CC(=C(C=C2)C3CCCCC3)C(F)(F)F)C)CN4CC(C4)C(=O)O.C(=CC(=O)O)C(=O)O DR1488 CAS__NUM CAS 1234627-85-0 DR1488 PUBCMSID 98458070; 136350018 DR1489 DRUG__ID DR1489 DR1489 DRUGNAME Sirolimus DR1489 PUBCMCID 5284616 DR1489 TTDRUGID D03LJR DR1489 DFORMULA C51H79NO13 DR1489 INCHIKEY QFJCIRLUMZQUOT-HPLJOQBZSA-N DR1489 DRUINCHI 1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1 DR1489 CASMILES CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC DR1489 CAS__NUM CAS 53123-88-9 DR1489 CHEBINUM 9168 DR1489 PUBCMSID 636884; 830671; 7890221; 7982025; 8145920; 11110132; 11110134; 11110139; 11528741; 12014635; 14816423; 14816426; 24430811;24899339; 26701762; 26705530; 26705537; 26709840; 26713306; 37101833; 46391895; 46392864; 47289337; 48416541; 49635682; 49815675; 50103901; 50139515; 56310631; 56310880; 56311583; 56311585; 56311714;56311827; 56311949; 56311983; 56312137; 56312183; 56312184; 56312185; 56312186; 56312645; 56312887; 56313330; 56313354; 56313375; 56313498; 56313803; 56313974; 56314022 DR1490 DRUG__ID DR1490 DR1490 DRUGNAME Sitagliptin DR1490 PUBCMCID 4369359 DR1490 TTDRUGID D0U2JP DR1490 DFORMULA C16H15F6N5O DR1490 INCHIKEY MFFMDFFZMYYVKS-SECBINFHSA-N DR1490 DRUINCHI 1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1 DR1490 CASMILES C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N DR1490 CAS__NUM CAS 486460-32-6 DR1490 CHEBINUM 40237 DR1490 PUBCMSID 7885474; 9656038; 14904024; 16466401; 35668584; 46393524; 46505822; 46511716; 46513917; 46530623; 48034814; 50070925; 56365842; 78231257; 85789641; 92307950; 96025201; 99443685; 103502876; 112947540; 117695427; 126669712; 126731480; 134337929; 135206675; 136339733; 137005783; 143037551; 143497677; 152028143; 152164204; 152164205; 152238548; 152344340; 160646743; 160964592; 162201432; 164784279; 164824529; 164846813; 165235282; 165245552; 165702336; 170499559; 174006349; 174529510; 175268642; 178102906; 179231014;186005103 DR1491 DRUG__ID DR1491 DR1491 DRUGNAME Sitaxentan DR1491 PUBCMCID 216235 DR1491 TTDRUGID D0T1RG DR1491 DFORMULA C18H15ClN2O6S2 DR1491 INCHIKEY PHWXUGHIIBDVKD-UHFFFAOYSA-N DR1491 DRUINCHI 1S/C18H15ClN2O6S2/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18/h3-5,7,21H,6,8H2,1-2H3 DR1491 CASMILES CC1=CC2=C(C=C1CC(=O)C3=C(C=CS3)S(=O)(=O)NC4=C(C(=NO4)C)Cl)OCO2 DR1491 CAS__NUM CAS 210421-64-0 DR1491 CHEBINUM 135736 DR1491 PUBCMSID 9372810; 14882225; 30419980; 51091510; 53787795; 57399751; 74641055; 99443241; 103132160; 103185367; 103856556; 103954105; 113461188; 117565630; 126666642; 128918439; 134338702; 135135408; 137242544; 142451026; 152258916; 160647762; 160967856; 162011733; 163408557; 163848063; 170465720;178100777; 179150102; 185971408; 198974562; 198991724; 223662441; 224211166; 227081706 DR1492 DRUG__ID DR1492 DR1492 DRUGNAME Sodium acetate DR1492 PUBCMCID 517045 DR1492 TTDRUGID D0Z4UY DR1492 DFORMULA C2H3NaO2 DR1492 INCHIKEY VMHLLURERBWHNL-UHFFFAOYSA-M DR1492 DRUINCHI 1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 DR1492 CASMILES CC(=O)[O-].[Na+] DR1492 CAS__NUM CAS 127-09-3 DR1492 CHEBINUM 32954 DR1494 DRUG__ID DR1494 DR1494 DRUGNAME Sodium oxybate DR1494 PUBCMCID 23663870 DR1494 DFORMULA C4H7NaO3 DR1494 INCHIKEY XYGBKMMCQDZQOZ-UHFFFAOYSA-M DR1494 DRUINCHI 1S/C4H8O3.Na/c5-3-1-2-4(6)7;/h5H,1-3H2,(H,6,7);/q;+1/p-1 DR1494 CASMILES C(CC(=O)[O-])CO.[Na+] DR1494 CAS__NUM CAS 502-85-2 DR1495 DRUG__ID DR1495 DR1495 DRUGNAME Sofosbuvir DR1495 PUBCMCID 45375808 DR1495 TTDRUGID D0D4YZ DR1495 DFORMULA C22H29FN3O9P DR1495 INCHIKEY TTZHDVOVKQGIBA-IQWMDFIBSA-N DR1495 DRUINCHI 1S/C22H29FN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16+,18+,20+,22+,36-/m0/s1 DR1495 CASMILES CC(C)OC(=O)C(C)NP(=O)(OCC1C(C(C(O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3 DR1495 CAS__NUM CAS 1190307-88-0 DR1495 CHEBINUM 85083 DR1495 PUBCMSID 93367218; 120288070; 123086722; 136350055; 141294064; 152258620; 160647455; 165245625; 172232459; 175428457; 178103940; 198982808; 206711582; 223715859; 228166432; 241383586; 242982572; 249625858; 249807077; 249816415; 251963215; 252155260; 252166959 DR1497 DRUG__ID DR1497 DR1497 DRUGNAME Solifenacin succinate DR1497 PUBCMCID 216457 DR1497 TTDRUGID D0L4YD DR1497 DFORMULA C27H32N2O6 DR1497 INCHIKEY RXZMMZZRUPYENV-VROPFNGYSA-N DR1497 DRUINCHI 1S/C23H26N2O2.C4H6O4/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19;5-3(6)1-2-4(7)8/h1-9,18,21-22H,10-16H2;1-2H2,(H,5,6)(H,7,8)/t21-,22-;/m0./s1 DR1497 CASMILES C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CC=C5.C(CC(=O)O)C(=O)O DR1497 CAS__NUM CAS 242478-38-2 DR1497 CHEBINUM 32151 DR1499 DRUG__ID DR1499 DR1499 DRUGNAME Sonidegib phosphate DR1499 PUBCMCID 45138699 DR1499 DFORMULA C26H32F3N3O11P2 DR1499 INCHIKEY RWIVSVMMGFFZIJ-VWDRLOGHSA-N DR1499 DRUINCHI 1S/C26H26F3N3O3.2H3O4P/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29;2*1-5(2,3)4/h4-13,16-17H,14-15H2,1-3H3,(H,31,33);2*(H3,1,2,3,4)/t16-,17+;; DR1499 CASMILES CC1CN(CC(O1)C)C2=NC=C(C=C2)NC(=O)C3=CC=CC(=C3C)C4=CC=C(C=C4)OC(F)(F)F.OP(=O)(O)O.OP(=O)(O)O DR1499 CAS__NUM CAS 1218778-77-8 DR1499 CHEBINUM 90864 DR1500 DRUG__ID DR1500 DR1500 DRUGNAME Sorafenib DR1500 PUBCMCID 216239 DR1500 TTDRUGID D0W5HK DR1500 DFORMULA C21H16ClF3N4O3 DR1500 INCHIKEY MLDQJTXFUGDVEO-UHFFFAOYSA-N DR1500 DRUINCHI 1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) DR1500 CASMILES CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F DR1500 CAS__NUM CAS 284461-73-0 DR1500 CHEBINUM 50924 DR1500 PUBCMSID 833589; 833590; 7886069; 9372814; 12015507; 14720365; 14834034; 30419984; 46505329; 46516901; 50069824; 50070560; 50071324; 50100118; 50112741; 53787819; 53799234; 56312334; 56312336; 56312338; 56312517; 56312519; 56312521; 56394953; 57399755; 68529952; 74382940; 75518900; 81092852; 85174603; 85285882; 85845166; 91148447; 92718861; 93581025; 96025209; 99443909; 103420820; 103904444; 104178872; 113461200; 117695450; 117871124; 124767621; 124893320; 124893321; 124893322; 124893323; 124893324; 125346960 DR1501 DRUG__ID DR1501 DR1501 DRUGNAME Sotalol DR1501 PUBCMCID 5253 DR1501 TTDRUGID D04VMT DR1501 DFORMULA C12H20N2O3S DR1501 INCHIKEY ZBMZVLHSJCTVON-UHFFFAOYSA-N DR1501 DRUINCHI 1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3 DR1501 CASMILES CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O DR1501 CAS__NUM CAS 3930-20-9 DR1501 CHEBINUM 63622 DR1501 PUBCMSID 9517; 3221867; 5612028; 7980639; 8153233; 10521436; 11466994; 11468114; 11486628; 14775037; 26751989; 29224308; 46505012; 47730756; 47879636; 48029202; 48029203; 48253453; 48416548; 49699392; 49991262; 50104666; 53790038; 56413050; 57288838; 57322681; 80811639; 85220240; 85788914; 90341280; 92308885; 92717147; 96025210; 103168744; 104171235; 104308703; 118314017; 124750203; 124881382; 124881383; 124881384; 125349604; 126622467; 128364869; 129878952; 134337682; 134985209; 135610135; 137100765; 142466945 DR1502 DRUG__ID DR1502 DR1502 DRUGNAME Sparteine DR1502 PUBCMCID 644020 DR1502 DFORMULA C15H26N2 DR1502 INCHIKEY SLRCCWJSBJZJBV-ZQDZILKHSA-N DR1502 DRUINCHI 1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m0/s1 DR1502 CASMILES C1CCN2CC3CC(C2C1)CN4C3CCCC4 DR1502 CAS__NUM CAS 90-39-1 DR1502 CHEBINUM 28827 DR1504 DRUG__ID DR1504 DR1504 DRUGNAME CCG-205124 DR1504 PUBCMCID 1102 DR1504 TTDRUGID D08BXT DR1504 DFORMULA C7H19N3 DR1504 INCHIKEY ATHGHQPFGPMSJY-UHFFFAOYSA-N DR1504 DRUINCHI 1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2 DR1504 CASMILES C(CCNCCCN)CN DR1504 CAS__NUM CAS 124-20-9 DR1504 CHEBINUM 16610 DR1504 PUBCMSID 3609; 600884; 825208; 829689; 833127; 3134393; 5612033; 7890553; 8143482; 8150974; 11111787; 11113819; 11336182; 11361421; 11362759; 11365321; 11367883; 11371932; 11374680; 11376045; 11408685; 11462393; 11484683; 11488690; 11490792; 11492915; 11493819; 11537848; 15146776; 17436308; 24439453; 24771118; 24845842; 24888388; 24888389; 24899434; 24899529; 24899590; 26706955; 26710067; 26713681; 26737363; 26751992; 31647434; 46392889; 46504199; 46504202; 46506086; 47365289; 47440358 DR1505 DRUG__ID DR1505 DR1505 DRUGNAME KM-1406 DR1505 PUBCMCID 1103 DR1505 TTDRUGID D0LD9S DR1505 DFORMULA C10H26N4 DR1505 INCHIKEY PFNFFQXMRSDOHW-UHFFFAOYSA-N DR1505 DRUINCHI 1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2 DR1505 CASMILES C(CCNCCCN)CNCCCN DR1505 CAS__NUM CAS 71-44-3 DR1505 CHEBINUM 15746 DR1505 PUBCMSID 4012; 140612; 585338; 600883; 826607; 855222; 3134394; 5612034; 7890561; 7980642; 8143356; 8150975; 10317955; 10533682; 11111791; 11113818; 11439632; 11446854; 14748726; 24439454; 24888220; 24899550; 24899594; 26701763; 26701869; 26704188; 26704193; 26704197; 26704245; 26704375; 26704579; 26705140; 26705170; 26705322; 26705370; 26705680; 26706947; 26706956; 26709511; 26710174; 26711528; 26712356; 26712786; 26713080; 26713117; 26713121; 26713142; 26713516; 26713534; 26713537 DR1507 DRUG__ID DR1507 DR1507 DRUGNAME Stiripentol DR1507 PUBCMCID 5311454 DR1507 TTDRUGID D02XSA DR1507 DFORMULA C14H18O3 DR1507 INCHIKEY IBLNKMRFIPWSOY-FNORWQNLSA-N DR1507 DRUINCHI 1S/C14H18O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8,13,15H,9H2,1-3H3/b7-5+ DR1507 CASMILES CC(C)(C)C(C=CC1=CC2=C(C=C1)OCO2)O DR1507 CAS__NUM CAS 49763-96-4 DR1507 CHEBINUM 94435 DR1507 PUBCMSID 7980667; 11056518; 12012842; 14822996; 26719721; 39341128; 46386912; 47207586; 49681794; 50003116; 50296460; 53787806; 57359489; 92308635; 114156142; 124659075; 124800322; 124896656; 126687172; 135001137; 137249320; 140896155; 144207171; 160682657; 162248724; 164814427; 172080465; 178102119; 179150500; 179295999; 184546144; 223434582; 223671334; 224537897; 226570508; 228636166; 250056868; 251916521; 251917868; 252356786; 252671637 DR1508 DRUG__ID DR1508 DR1508 DRUGNAME Sufentanil DR1508 PUBCMCID 41693 DR1508 TTDRUGID D0D8DD DR1508 DFORMULA C22H30N2O2S DR1508 INCHIKEY GGCSSNBKKAUURC-UHFFFAOYSA-N DR1508 DRUINCHI 1S/C22H30N2O2S/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20/h4-10,17H,3,11-16,18H2,1-2H3 DR1508 CASMILES CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)COC DR1508 CAS__NUM CAS 56030-54-7 DR1508 CHEBINUM 9316 DR1508 PUBCMSID 10222; 6311194; 7980695; 8177237; 14804981; 34707309; 46504737; 47207596; 47252825; 47326870; 47624342; 47846995; 48416563; 50064909; 50787758; 57312595; 85209320; 103189274; 103924757; 104337672; 111978170; 117568208; 124953716; 124953717; 127949007; 134222396; 134337667; 135003073; 137002461; 139212423; 160964052; 164035747; 175268924; 175443463; 178100513; 179150640; 185971931; 198991634; 210274958; 210280596; 223398861; 224247843; 226414514; 241097876; 250113166; 251880715; 252481124 DR1509 DRUG__ID DR1509 DR1509 DRUGNAME Sulfadiazine DR1509 PUBCMCID 5215 DR1509 TTDRUGID D05LKP DR1509 DFORMULA C10H10N4O2S DR1509 INCHIKEY SEEPANYCNGTZFQ-UHFFFAOYSA-N DR1509 DRUINCHI 1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14) DR1509 CASMILES C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N DR1509 CAS__NUM CAS 68-35-9 DR1509 CHEBINUM 9328 DR1509 PUBCMSID 9860; 92611; 602777; 642441; 642967; 855872; 933844; 3182910; 4484320; 7847653; 7980699; 8149533; 8153205; 10321441; 10532663; 11112193; 11335718; 11360957; 11363880; 11366442; 11369004; 11372203; 11373882; 11377166; 11461929; 11466051; 11467171; 11485153; 11485742; 11489135; 11491177; 11492157; 11494800; 11533903; 14749834; 24861734; 24899802; 25623038; 26611925; 26679790; 26747022; 26747023; 29224272; 46506164; 47216749; 47440219; 47588965; 47662250; 47736446; 47885378 DR1510 DRUG__ID DR1510 DR1510 DRUGNAME J-005528 DR1510 PUBCMCID 5344 DR1510 TTDRUGID D09TBD DR1510 DFORMULA C11H13N3O3S DR1510 INCHIKEY NHUHCSRWZMLRLA-UHFFFAOYSA-N DR1510 DRUINCHI 1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3 DR1510 CASMILES CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N DR1510 CAS__NUM CAS 127-69-5 DR1510 CHEBINUM 102484 DR1510 PUBCMSID 9526; 77649; 91794; 94502; 519811; 603111; 855841; 859862; 5632698; 7847516; 7980707; 8001163; 8149542; 8153283; 10321680; 10506243; 10589442; 11112277; 11113344; 11335754; 11360993; 11363918; 11366480; 11369042; 11372695; 11373896; 11377204; 11461965; 11466362; 11467482; 11485185; 11486024; 11489141; 11491543; 11492164; 11494838; 14848258; 17389726; 17390719; 24707909; 24899697; 26611934; 26679889; 26747009; 26751527; 29224396; 46505342; 47291108; 47440228; 47662260 DR1511 DRUG__ID DR1511 DR1511 DRUGNAME Sulfamethoxazole DR1511 PUBCMCID 5329 DR1511 TTDRUGID D0R9OH DR1511 DFORMULA C10H11N3O3S DR1511 INCHIKEY JLKIGFTWXXRPMT-UHFFFAOYSA-N DR1511 DRUINCHI 1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13) DR1511 CASMILES CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N DR1511 CAS__NUM CAS 723-46-6 DR1511 CHEBINUM 9332 DR1511 PUBCMSID 9523; 430150; 602530; 855654; 3160889; 4484561; 7847513; 7980702; 8149537; 8153272; 10321458; 10533933; 10589657; 11112438; 11335824; 11361063; 11363888; 11366450; 11369012; 11371628; 11373888; 11377174; 11385461; 11462035; 11466205; 11467325; 11484632; 11485730; 11488604; 11490400; 11492160; 11494808; 14718462; 14798729; 17388720; 24870521; 24899752; 25623303; 26611929; 26679802; 26746946; 26746947; 29224383; 46508111; 47188230; 47216775; 47291127; 47365185; 47440251; 47662281 DR1512 DRUG__ID DR1512 DR1512 DRUGNAME Sulfapyridine DR1512 PUBCMCID 5336 DR1512 TTDRUGID D0D4CY DR1512 DFORMULA C11H11N3O2S DR1512 INCHIKEY GECHUMIMRBOMGK-UHFFFAOYSA-N DR1512 DRUINCHI 1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14) DR1512 CASMILES C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N DR1512 CAS__NUM CAS 144-83-2 DR1512 CHEBINUM 132842 DR1512 PUBCMSID 70988; 96525; 603199; 855656; 866442; 5631195; 7820105; 7849492; 7980704; 8149538; 8153278; 10321924; 10508192; 11112302; 11335391; 11360630; 11363890; 11366452; 11369014; 11372864; 11373890; 11377176; 11461602; 11466790; 11467910; 11485181; 11486479; 11489139; 11491588; 11492161; 11494810; 15221159; 17140599; 24899692; 26611930; 26679786; 26746948; 29224390; 46506991; 47291019; 47365061; 47365062; 47515199; 47662144; 47736350; 48110333; 48110334; 48424128; 49698734; 49855022 DR1513 DRUG__ID DR1513 DR1513 DRUGNAME Sulfasalazine DR1513 PUBCMCID 5339 DR1513 TTDRUGID D02ZTJ DR1513 DFORMULA C18H14N4O5S DR1513 INCHIKEY NCEXYHBECQHGNR-UHFFFAOYSA-N DR1513 DRUINCHI 1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25) DR1513 CASMILES C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O DR1513 CAS__NUM CAS 599-79-1 DR1513 CHEBINUM 9334 DR1513 PUBCMSID 9524; 452205; 7847514; 7890377; 10321791; 11112423; 17389737; 26747277; 26747278; 39383787; 46391376; 46505451; 48414442; 48416584; 48424062; 48425604; 49698537; 50105482; 50105483; 53789773; 57361929; 78341122; 85147460; 85164696; 85174423; 85787939; 87560165; 92125445; 93166319; 103914276; 103994509; 104134816; 114147521; 117607242; 124890162; 124890163; 134337474; 134339436; 134976371; 135692179; 139618183; 144204588; 144208437; 144210859; 160964137; 164788662; 170464716; 172386498; 175267319; 179038496 DR1515 DRUG__ID DR1515 DR1515 DRUGNAME Sulfinpyrazone DR1515 PUBCMCID 5342 DR1515 TTDRUGID D03DEI DR1515 DFORMULA C23H20N2O3S DR1515 INCHIKEY MBGGBVCUIVRRBF-UHFFFAOYSA-N DR1515 DRUINCHI 1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2 DR1515 CASMILES C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCS(=O)C4=CC=CC=C4 DR1515 CAS__NUM CAS 57-96-5 DR1515 CHEBINUM 9342 DR1515 PUBCMSID 9525; 117338; 611476; 855982; 5632696; 7847515; 8149541; 8153281; 10321460; 11112139; 11335265; 11360504; 11363916; 11366478; 11369040; 11371640; 11374587; 11377202; 11461476; 11466318; 11467438; 11485183; 11486155; 11489140; 11490406; 11492660; 11494836; 14718483; 14879380; 24899841; 26611933; 26680609; 26747070; 26747071; 29224394; 46500625; 46504918; 47216628; 47290983; 47290984; 47440092; 47588838; 48110300; 48334323; 48416577; 49698736; 50029653; 50100985; 50661502; 53789714 DR1517 DRUG__ID DR1517 DR1517 DRUGNAME Sumatriptan succinate DR1517 PUBCMCID 59772 DR1517 TTDRUGID D02MLV DR1517 DFORMULA C18H27N3O6S DR1517 INCHIKEY PORMUFZNYQJOEI-UHFFFAOYSA-N DR1517 DRUINCHI 1S/C14H21N3O2S.C4H6O4/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3;5-3(6)1-2-4(7)8/h4-5,8-9,15-16H,6-7,10H2,1-3H3;1-2H2,(H,5,6)(H,7,8) DR1517 CASMILES CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C.C(CC(=O)O)C(=O)O DR1517 CAS__NUM CAS 103628-48-4 DR1517 CHEBINUM 64359 DR1519 DRUG__ID DR1519 DR1519 DRUGNAME Sunitinib malate DR1519 PUBCMCID 6456015 DR1519 TTDRUGID D0R0MW DR1519 DFORMULA C26H33FN4O7 DR1519 INCHIKEY LBWFXVZLPYTWQI-IPOVEDGCSA-N DR1519 DRUINCHI 1S/C22H27FN4O2.C4H6O5/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28;5-2(4(8)9)1-3(6)7/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28);2,5H,1H2,(H,6,7)(H,8,9)/b17-12-;/t;2-/m.0/s1 DR1519 CASMILES CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C.C(C(C(=O)O)O)C(=O)O DR1519 CAS__NUM CAS 341031-54-7 DR1520 DRUG__ID DR1520 DR1520 DRUGNAME Suprofen DR1520 PUBCMCID 5359 DR1520 TTDRUGID D07BPS DR1520 DFORMULA C14H12O3S DR1520 INCHIKEY MDKGKXOCJGEUJW-UHFFFAOYSA-N DR1520 DRUINCHI 1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17) DR1520 CASMILES CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)O DR1520 CAS__NUM CAS 40828-46-4 DR1520 CHEBINUM 9362 DR1520 PUBCMSID 9528; 224830; 453324; 3180764; 7672824; 7847518; 8149755; 8153294; 10321232; 11335651; 11360890; 11364051; 11366613; 11369175; 11372035; 11374691; 11377337; 11461862; 11466844; 11467964; 11485276; 11486368; 11489246; 11490743; 11492841; 11494971; 12012657; 14848020; 26612210; 26679843; 26748525; 26748526; 29224411; 46508210; 47365135; 47662231; 47736424; 47810708; 47810709; 48035064; 49698781; 49977399; 50025833; 50107425; 56459397; 56463227; 57322736; 74790379; 85787329; 92124483 DR1521 DRUG__ID DR1521 DR1521 DRUGNAME Suvorexant DR1521 PUBCMCID 24965990 DR1521 TTDRUGID D00OVU DR1521 DFORMULA C23H23ClN6O2 DR1521 INCHIKEY JYTNQNCOQXFQPK-MRXNPFEDSA-N DR1521 DRUINCHI 1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1 DR1521 CASMILES CC1CCN(CCN1C(=O)C2=C(C=CC(=C2)C)N3N=CC=N3)C4=NC5=C(O4)C=CC(=C5)Cl DR1521 CAS__NUM CAS 1030377-33-3 DR1521 CHEBINUM 82698 DR1521 PUBCMSID 56264110; 57493879; 99431637; 103755866; 104153062; 134348113; 135267387; 135650615; 136946578; 138669889; 141618580; 152258025; 152258268; 160647104; 163312227; 164044652; 171061162; 175266695; 176245483; 184816450; 198993974; 215784570; 223377940; 223447420; 223620167; 223704064; 225372552; 227781057; 248624194; 249822123; 250214353; 251963163; 252062692; 252211821; 252215820; 252442778; 252473529 DR1523 DRUG__ID DR1523 DR1523 DRUGNAME Tacrine hydrochloride DR1523 PUBCMCID 2723754 DR1523 TTDRUGID D0E6YQ DR1523 DFORMULA C13H15ClN2 DR1523 INCHIKEY ZUFVXZVXEJHHBN-UHFFFAOYSA-N DR1523 DRUINCHI 1S/C13H14N2.ClH/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;/h1,3,5,7H,2,4,6,8H2,(H2,14,15);1H DR1523 CASMILES C1CCC2=NC3=CC=CC=C3C(=C2C1)N.Cl DR1523 CAS__NUM CAS 1684-40-8 DR1524 DRUG__ID DR1524 DR1524 DRUGNAME Tacrolimus DR1524 PUBCMCID 445643 DR1524 TTDRUGID D06OMK DR1524 DFORMULA C44H69NO12 DR1524 INCHIKEY QJJXYPPXXYFBGM-LFZNUXCKSA-N DR1524 DRUINCHI 1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1 DR1524 CASMILES CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC DR1524 CAS__NUM CAS 104987-11-3 DR1524 CHEBINUM 61049 DR1524 PUBCMSID 4572; 832905; 842004; 7887491; 7980719; 8150098; 10299743; 12013904; 14815954; 14889261; 24841759; 26703416; 26705532; 26705535; 26713140; 26715494; 26756858; 29216422; 36888289; 46506004; 47574395; 48020022; 50111459; 50111460; 53788265; 57404698; 74380484; 76558282; 85788970; 91011629; 92308089; 92310166; 92711966; 96025241; 99301078; 99302128; 99436940; 103164549; 103939344; 104178757; 104222107; 104634734; 109693101; 118048657; 119525750; 124757870; 124766122; 124892446; 124892447; 124892448 DR1525 DRUG__ID DR1525 DR1525 DRUGNAME Tadalafil DR1525 PUBCMCID 110635 DR1525 TTDRUGID D05MQK DR1525 DFORMULA C22H19N3O4 DR1525 INCHIKEY WOXKDUGGOYFFRN-IIBYNOLFSA-N DR1525 DRUINCHI 1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 DR1525 CASMILES CN1CC(=O)N2C(C1=O)CC3=C(C2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36 DR1525 CAS__NUM CAS 171596-29-5 DR1525 CHEBINUM 71940 DR1525 PUBCMSID 585746; 833257; 7849070; 7980303; 10235225; 12015128; 14756405; 14805118; 26719828; 44439099; 46386604; 46393582; 46507646; 46515102; 48631155; 49665805; 49666420; 49681754; 50070180; 50070554; 50071306; 50930588; 53789230; 57338564; 71826083; 92308507; 103205141; 104253184; 104386552; 118046114; 124658965; 124757304; 124801305; 124976968; 125164108; 126670668; 126730649; 129612837; 131407413; 134337906; 134358339; 135067956; 137002812; 142183965; 144075910; 144206195; 152031978; 152344458; 160709391; 160821591 DR1526 DRUG__ID DR1526 DR1526 DRUGNAME Tafenoquine DR1526 PUBCMCID 115358 DR1526 TTDRUGID D07TWN DR1526 DFORMULA C24H28F3N3O3 DR1526 INCHIKEY LBHLFPGPEGDCJG-UHFFFAOYSA-N DR1526 DRUINCHI 1S/C24H28F3N3O3/c1-14-11-20(32-4)30-22-18(29-15(2)7-6-10-28)13-19(31-3)23(21(14)22)33-17-9-5-8-16(12-17)24(25,26)27/h5,8-9,11-13,15,29H,6-7,10,28H2,1-4H3 DR1526 CASMILES CC1=CC(=NC2=C1C(=C(C=C2NC(C)CCCN)OC)OC3=CC=CC(=C3)C(F)(F)F)OC DR1526 CAS__NUM CAS 106635-80-7 DR1526 CHEBINUM 141487 DR1526 PUBCMSID 602533; 10236751; 14784788; 29296849; 50064119; 50683558; 57339134; 103230320; 104398192; 112378993; 128464465; 135072665; 137249474; 139445279; 172232583; 179148060; 224112192; 226682048 DR1527 DRUG__ID DR1527 DR1527 DRUGNAME Talinolol DR1527 PUBCMCID 68770 DR1527 TTDRUGID D05JKG DR1527 DFORMULA C20H33N3O3 DR1527 INCHIKEY MXFWWQICDIZSOA-UHFFFAOYSA-N DR1527 DRUINCHI 1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25) DR1527 CASMILES CC(C)(C)NCC(COC1=CC=C(C=C1)NC(=O)NC2CCCCC2)O DR1527 CAS__NUM CAS 57460-41-0 DR1527 CHEBINUM 135533 DR1527 PUBCMSID 8192333; 14926104; 26757961; 43125295; 50060575; 50068853; 51091522; 57317059; 77170990; 95612779; 98940985; 103096738; 103401016; 104343015; 107929351; 117537352; 124580994; 125712702; 126580194; 126725781; 126737449; 127339737; 127339738; 127339739; 131492773; 135027207; 135066580; 135555209; 135653641; 135707467;135888304; 136895027; 137114987; 142640331; 144205724; 162057748; 162118068; 162848586; 164765202; 165745358; 170466514; 170558731; 178101379; 179323274; 184547412; 202554924; 215742084; 226457382; 252091637; 252492541 DR1529 DRUG__ID DR1529 DR1529 DRUGNAME Tamoxifen citrate DR1529 PUBCMCID 2733525 DR1529 TTDRUGID D07KSG DR1529 DFORMULA C32H37NO8 DR1529 INCHIKEY FQZYTYWMLGAPFJ-OQKDUQJOSA-N DR1529 DRUINCHI 1S/C26H29NO.C6H8O7/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,4,19-20H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-; DR1529 CASMILES CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O DR1529 CAS__NUM CAS 54965-24-1 DR1530 DRUG__ID DR1530 DR1530 DRUGNAME Tamsulosin DR1530 PUBCMCID 129211 DR1530 TTDRUGID D05MBZ DR1530 DFORMULA C20H28N2O5S DR1530 INCHIKEY DRHKJLXJIQTDTD-OAHLLOKOSA-N DR1530 DRUINCHI 1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1 DR1530 CASMILES CCOC1=CC=CC=C1OCCNC(C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N DR1530 CAS__NUM CAS 106133-20-4 DR1530 CHEBINUM 9398 DR1530 PUBCMSID 9334; 7978548; 10242264; 14855214; 14855215; 29308096; 46507763; 48416590; 49658919; 49881530; 50112696; 57342917; 77491402; 92309311; 93166419; 94568973; 96025245; 103219988; 103956570; 104369951; 117870725; 118048890; 124772213; 124893313; 126662035; 127253628; 127253629; 127253630; 127253631; 127253632; 127253633; 127253634; 127775697; 131293768; 131322925; 131549270; 134223415; 134337414; 135047731; 135651350; 137001370; 142769217; 143493354; 152164201; 152235887; 160826144; 160964050; 163092709; 163388355; 164786761 DR1531 DRUG__ID DR1531 DR1531 DRUGNAME Tapentadol DR1531 PUBCMCID 9838022 DR1531 TTDRUGID D0K4MH DR1531 DFORMULA C14H23NO DR1531 INCHIKEY KWTWDQCKEHXFFR-SMDDNHRTSA-N DR1531 DRUINCHI 1S/C14H23NO/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12/h6-9,11,14,16H,5,10H2,1-4H3/t11-,14+/m0/s1 DR1531 CASMILES CCC(C1=CC(=CC=C1)O)C(C)CN(C)C DR1531 CAS__NUM CAS 175591-23-8 DR1531 CHEBINUM 135935 DR1531 PUBCMSID 14892326; 24136893; 44936111; 47207665; 50598570; 57373488; 87692438; 124772162; 126644483; 126666948; 128445985; 135207317; 135693229; 135693230; 136980026; 137147726; 142418252; 144115428; 152090609; 160693267; 160865464; 162012004; 164041986; 172919383; 174527899; 175267498; 175427057; 179150074; 187051780; 210276624; 223519387; 223661873; 224282350; 226489097; 252481185 DR1532 DRUG__ID DR1532 DR1532 DRUGNAME Tasimelteon DR1532 PUBCMCID 10220503 DR1532 TTDRUGID D0Q5MQ DR1532 DFORMULA C15H19NO2 DR1532 INCHIKEY PTOIAAWZLUQTIO-GXFFZTMASA-N DR1532 DRUINCHI 1S/C15H19NO2/c1-2-15(17)16-9-10-8-13(10)11-4-3-5-14-12(11)6-7-18-14/h3-5,10,13H,2,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1 DR1532 CASMILES CCC(=O)NCC1CC1C2=C3CCOC3=CC=C2 DR1532 CAS__NUM CAS 609799-22-6 DR1532 CHEBINUM 79042 DR1532 PUBCMSID 15221060; 22609327; 40334994; 46387835; 78704256; 92722464; 96026068; 126627315; 126662442; 128966262; 135253193; 137132834; 137788131; 141198068; 160676375; 164777429; 165238001; 178103965; 180371725; 198968673; 198994004; 223444257; 223675953; 225045086; 229516194; 241124240; 251971356; 252552922; 252671867 DR1533 DRUG__ID DR1533 DR1533 DRUGNAME ANA-756 DR1533 PUBCMCID 60919 DR1533 TTDRUGID D0M7TO DR1533 DFORMULA C23H21N7O DR1533 INCHIKEY ADXGNEYLLLSOAR-UHFFFAOYSA-N DR1533 DRUINCHI 1S/C23H21N7O/c1-14-18-11-12-21(31)30(23(18)25-15(2)24-14)13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)22-26-28-29-27-22/h3-10H,11-13H2,1-2H3,(H,26,27,28,29) DR1533 CASMILES CC1=C2CCC(=O)N(C2=NC(=N1)C)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 DR1533 CAS__NUM CAS 145733-36-4 DR1533 CHEBINUM 135666 DR1533 PUBCMSID 12014735; 14781918; 43118241; 46504809; 47207668; 50241161; 57314180; 85210063; 103271083; 103972483; 104253198; 104321954; 104826537; 117600003; 124757326; 125164130; 125823197; 126681832; 127392389; 134338495; 135016861; 137185590; 139561026; 140917228; 141045621; 143493280; 152233049; 152343908; 152344365; 160964640; 162011534; 163418539; 163849994; 164814968; 165238016; 172919626; 174527556; 178103480; 179149947; 179323284; 184545958; 198987382; 223659560; 224992574; 225380894; 226433336; 241036477; 242060035; 244153220; 249582367 DR1534 DRUG__ID DR1534 DR1534 DRUGNAME Taurine DR1534 PUBCMCID 1123 DR1534 TTDRUGID D0C6IE DR1534 DFORMULA C2H7NO3S DR1534 INCHIKEY XOAAWQZATWQOTB-UHFFFAOYSA-N DR1534 DRUINCHI 1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) DR1534 CASMILES C(CS(=O)(=O)O)N DR1534 CAS__NUM CAS 107-35-7 DR1534 CHEBINUM 15891 DR1534 PUBCMSID 3544; 90924; 608224; 820951; 821198; 841390; 855439; 3136598; 4656526; 7847115; 7890685; 7980729; 8027993; 8138146; 8145091; 8150985; 10503452; 11111855; 11113407; 11407207; 15146560; 17389723; 17405690; 24278721; 24439473; 24888584; 24888585; 24900217; 24900552; 24901890; 26751645; 37402452; 46500351; 46506189; 47515475; 48414494; 48423589; 48425250; 49830281; 49854645; 50104337; 50104338; 53778240; 53789289; 56320736; 56320737; 57320751; 57653091; 80818340; 81059398 DR1535 DRUG__ID DR1535 DR1535 DRUGNAME Chenyltaurine DR1535 PUBCMCID 387316 DR1535 TTDRUGID D02YJL DR1535 DFORMULA C26H45NO6S DR1535 INCHIKEY BHTRKEVKTKCXOH-BJLOMENOSA-N DR1535 DRUINCHI 1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1 DR1535 CASMILES CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C DR1535 CAS__NUM CAS 516-35-8 DR1535 CHEBINUM 16525 DR1535 PUBCMSID 7825; 8143524; 11433252; 11566423; 15680651; 17422072; 17422074; 24702369; 50246905; 53789838; 57402301; 103457854; 103832585; 104602663; 119525713; 126523702; 134976110; 136073242; 137105399; 138870429; 160854685; 162224001; 178101457; 179293218; 196383650; 226439344; 241089240; 249868382; 252067842; 252500397; 252811091 DR1536 DRUG__ID DR1536 DR1536 DRUGNAME Tazarotene DR1536 PUBCMCID 5381 DR1536 TTDRUGID D0BM5G DR1536 DFORMULA C21H21NO2S DR1536 INCHIKEY OGQICQVSFDPSEI-UHFFFAOYSA-N DR1536 DRUINCHI 1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3 DR1536 CASMILES CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)SCCC3(C)C DR1536 CAS__NUM CAS 118292-40-3 DR1536 CHEBINUM 32184 DR1536 PUBCMSID 582921; 4405151; 7848195; 8153307; 12014289; 14754274; 29224433; 46508992; 50031802; 50112778; 53789348; 56352905; 57322745; 68530738; 79123421; 85246194; 92719256; 93166451; 103629338; 104113517; 104253218; 104253308; 104309077; 124757343; 125164147; 125338838; 126620953; 126658167; 126670670; 127300883; 127300884; 127300885; 127300886; 127300887; 127300888; 127300889; 127300890; 127300891; 127300892; 127300893; 127300894; 127300895; 127300896; 127300897; 128806208; 134337757; 135017550; 135692178; 136376512; 136946544 DR1537 DRUG__ID DR1537 DR1537 DRUGNAME Tecovirimat DR1537 PUBCMCID 16124688 DR1537 TTDRUGID D08FOR DR1537 DFORMULA C19H15F3N2O3 DR1537 INCHIKEY CSKDFZIMJXRJGH-VWLPUNTISA-N DR1537 DRUINCHI 1S/C19H15F3N2O3/c20-19(21,22)9-3-1-8(2-4-9)16(25)23-24-17(26)14-10-5-6-11(13-7-12(10)13)15(14)18(24)27/h1-6,10-15H,7H2,(H,23,25)/t10-,11+,12+,13-,14-,15+ DR1537 CASMILES C1C2C1C3C=CC2C4C3C(=O)N(C4=O)NC(=O)C5=CC=C(C=C5)C(F)(F)F DR1537 CAS__NUM CAS 869572-92-9 DR1539 DRUG__ID DR1539 DR1539 DRUGNAME Tegafur DR1539 PUBCMCID 5386 DR1539 TTDRUGID D0F3SY DR1539 DFORMULA C8H9FN2O3 DR1539 INCHIKEY WFWLQNSHRPWKFK-UHFFFAOYSA-N DR1539 DRUINCHI 1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13) DR1539 CASMILES C1CC(OC1)N2C=C(C(=O)NC2=O)F DR1539 CAS__NUM CAS 17902-23-7 DR1539 CHEBINUM 32188 DR1540 DRUG__ID DR1540 DR1540 DRUGNAME Tegafur-uracil DR1540 PUBCMCID 104747 DR1540 TTDRUGID D0Y8PT DR1540 DFORMULA C12H13FN4O5 DR1540 INCHIKEY DHMYGZIEILLVNR-UHFFFAOYSA-N DR1540 DRUINCHI 1S/C8H9FN2O3.C4H4N2O2/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12;7-3-1-2-5-4(8)6-3/h4,6H,1-3H2,(H,10,12,13);1-2H,(H2,5,6,7,8) DR1540 CASMILES C1CC(OC1)N2C=C(C(=O)NC2=O)F.C1=CNC(=O)NC1=O DR1540 CAS__NUM CAS 74578-38-4 DR1541 DRUG__ID DR1541 DR1541 DRUGNAME Tegaserod DR1541 PUBCMCID 135409453 DR1541 TTDRUGID D00XWD DR1541 DFORMULA C16H23N5O DR1541 INCHIKEY IKBKZGMPCYNSLU-RGVLZGJSSA-N DR1541 DRUINCHI 1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)/b20-11+ DR1541 CASMILES CCCCCN=C(N)NN=CC1=CNC2=C1C=C(C=C2)OC DR1541 CAS__NUM CAS 145158-71-0 DR1541 CHEBINUM 51043 DR1542 DRUG__ID DR1542 DR1542 DRUGNAME Teicoplanin DR1542 PUBCMCID 16154789 DR1542 TTDRUGID D0K6MW DR1542 DFORMULA C58H45Cl2N7O18 DR1542 INCHIKEY DKVBOUDTNWVDEP-NJCHZNEYSA-N DR1542 DRUINCHI 1S/C58H45Cl2N7O18/c59-32-9-21-1-7-38(32)84-41-16-26-17-42(51(41)74)85-39-8-4-24(14-33(39)60)50(73)49-57(80)66-48(58(81)82)31-19-28(69)20-37(72)43(31)30-13-23(3-5-35(30)70)45(54(77)67-49)64-56(79)47(26)65-55(78)46-25-11-27(68)18-29(12-25)83-40-15-22(2-6-36(40)71)44(61)53(76)62-34(10-21)52(75)63-46/h1-9,11-20,34,44-50,68-74H,10,61H2,(H,62,76)(H,63,75)(H,64,79)(H,65,78)(H,66,80)(H,67,77)(H,81,82)/t34-,44-,45-,46+,47-,48+,49+,50-/m1/s1 DR1542 CASMILES C1C2C(=O)NC(C3=CC(=CC(=C3)OC4=C(C=CC(=C4)C(C(=O)N2)N)O)O)C(=O)NC5C6=CC(=C(C(=C6)OC7=C(C=C(C=C7)C(C8C(=O)NC(C9=C(C(=CC(=C9)O)O)C2=C(C=CC(=C2)C(C(=O)N8)NC5=O)O)C(=O)O)O)Cl)O)OC2=C(C=C1C=C2)Cl DR1542 CAS__NUM CAS 61036-62-2 DR1542 CHEBINUM 135912 DR1542 PUBCMSID 810625; 7849203; 16593451; 28746052; 40687868; 47205145; 57380281; 93617479; 93617480; 111123321; 111123323; 113635291; 144072018; 144072019; 164133011; 201499732; 201499745; 203105385; 203105392; 241152635; 252166409; 252166410; 252166411; 252166412 DR1543 DRUG__ID DR1543 DR1543 DRUGNAME Telaprevir DR1543 PUBCMCID 3010818 DR1543 TTDRUGID D0X9CH DR1543 DFORMULA C36H53N7O6 DR1543 INCHIKEY BBAWEDCPNXPBQM-GDEBMMAJSA-N DR1543 DRUINCHI 1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1 DR1543 CASMILES CCCC(C(=O)C(=O)NC1CC1)NC(=O)C2C3CCCC3CN2C(=O)C(C(C)(C)C)NC(=O)C(C4CCCCC4)NC(=O)C5=NC=CN=C5 DR1543 CAS__NUM CAS 304853-42-7 DR1543 CHEBINUM 68595 DR1543 PUBCMSID 3723201; 10039409; 14839657; 16347884; 36059235; 49684228; 80491883; 96025695; 99455178; 103533130; 109693015; 111630651; 123105171; 126578521; 126666050; 126727848; 134223970; 134340525; 134340605; 135692887; 136920427; 137188810; 137273793; 141479428; 143498830; 152234951; 152258142; 152344432; 160645797; 160646981; 162011420; 162197409; 163884617; 164193943; 164765234; 175266405; 175426470; 175427024; 176250091; 184812119; 198992420; 223366200; 223385689; 223669631; 224452297; 226544280; 248618622; 249810645; 249821696; 251916476 DR1544 DRUG__ID DR1544 DR1544 DRUGNAME Telithromycin DR1544 PUBCMCID 3002190 DR1544 TTDRUGID D09HNR DR1544 DFORMULA C43H65N5O10 DR1544 INCHIKEY LJVAJPDWBABPEJ-PNUFFHFMSA-N DR1544 DRUINCHI 1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29-,32+,33-,36-,37-,38-,40+,42-,43-/m1/s1 DR1544 CASMILES CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=C4)C5=CN=CC=C5)C DR1544 CAS__NUM CAS 191114-48-4 DR1544 CHEBINUM 29688 DR1544 PUBCMSID 633047; 12015022; 14767066; 14913885; 17181612; 34667812; 57410165; 79644204; 103323138; 111611540; 124766275; 126669903; 134224303; 135253289; 135692562; 139962352; 140277637; 141465063; 144205007; 144205756; 152198790; 160857220; 164765238; 175268627; 179150119; 210279153; 210281475; 223393880; 226396929; 247267318; 252401574 DR1545 DRUG__ID DR1545 DR1545 DRUGNAME Telmisartan DR1545 PUBCMCID 65999 DR1545 TTDRUGID D0N6RF DR1545 DFORMULA C33H30N4O2 DR1545 INCHIKEY RMMXLENWKUUMAY-UHFFFAOYSA-N DR1545 DRUINCHI 1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39) DR1545 CASMILES CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5C DR1545 CAS__NUM CAS 144701-48-4 DR1545 CHEBINUM 9434 DR1545 PUBCMSID 9912; 6866718; 7847693; 7980737; 8190092; 11372057; 11374980; 11485867; 11489792; 11490904; 11493075; 11528632; 12014783; 14860450; 26612858; 26680963; 26719833; 26749005; 26749006; 43122721; 46386620; 46505370; 46530547; 47350860; 47796474; 48416595; 49648460; 49830991; 50107502; 56312042; 56313977; 57315885; 79018553; 81041072; 81092854; 85209733; 85789678; 87225392; 92124871; 92308092; 92308546; 92309313; 92712346; 93166523; 103271997; 103974749; 104253350; 104335216; 117546129; 117867825 DR1546 DRUG__ID DR1546 DR1546 DRUGNAME Temafloxacin DR1546 PUBCMCID 60021 DR1546 TTDRUGID D04SBX DR1546 DFORMULA C21H18F3N3O3 DR1546 INCHIKEY QKDHBVNJCZBTMR-UHFFFAOYSA-N DR1546 DRUINCHI 1S/C21H18F3N3O3/c1-11-9-26(5-4-25-11)19-8-18-13(7-16(19)24)20(28)14(21(29)30)10-27(18)17-3-2-12(22)6-15(17)23/h2-3,6-8,10-11,25H,4-5,9H2,1H3,(H,29,30) DR1546 CASMILES CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)F)F DR1546 CAS__NUM CAS 108319-06-8 DR1546 CHEBINUM 77796 DR1547 DRUG__ID DR1547 DR1547 DRUGNAME Temazepam DR1547 PUBCMCID 5391 DR1547 TTDRUGID D04BNP DR1547 DFORMULA C16H13ClN2O2 DR1547 INCHIKEY SEQDDYPDSLOBDC-UHFFFAOYSA-N DR1547 DRUINCHI 1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3 DR1547 CASMILES CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3 DR1547 CAS__NUM CAS 846-50-4 DR1547 CHEBINUM 9435 DR1547 PUBCMSID 9335; 136538; 3249168; 4624912; 7847436; 7980739; 8150144; 8153314; 10536883; 11336164; 11361403; 11462375; 14873813; 24900518; 29215382; 29224443; 46506604; 47216853; 48414499; 48416596; 49857686; 50335785; 57322751; 57654708; 92729793; 99302077; 103252229; 104309107; 124892195; 126674763; 129225114; 134337552; 134979721; 136949648; 137128143; 143325958; 144205223; 144207242; 160963579; 163357056; 164765243; 175611282; 176262034; 178103873; 179116909; 198991797; 223441048; 223682944; 224807633; 226416533 DR1548 DRUG__ID DR1548 DR1548 DRUGNAME Temsirolimus DR1548 PUBCMCID 6918289 DR1548 TTDRUGID D0ES1Q DR1548 DFORMULA C56H87NO16 DR1548 INCHIKEY CBPNZQVSJQDFBE-FUXHJELOSA-N DR1548 DRUINCHI 1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1 DR1548 CASMILES CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC DR1548 CAS__NUM CAS 162635-04-3 DR1548 CHEBINUM 79699 DR1548 PUBCMSID 12014940; 14816760; 14914596; 50112771; 56313948; 91616133; 99436955; 103771165; 124756959; 125163765; 131346349; 135727446; 136345868; 137005644; 139209825; 139209826; 142578760; 144206068; 160967858; 162108260; 162172159; 174527830; 175437917; 176484822; 198991980; 204359550; 226408727; 249896045; 252158731 DR1549 DRUG__ID DR1549 DR1549 DRUGNAME Tenapanor DR1549 PUBCMCID 71587953 DR1549 TTDRUGID D04TQO DR1549 DFORMULA C50H66Cl4N8O10S2 DR1549 INCHIKEY DNHPDWGIXIMXSA-CXNSMIOJSA-N DR1549 DRUINCHI 1S/C50H66Cl4N8O10S2/c1-61-31-43(41-27-37(51)29-47(53)45(41)33-61)35-7-5-9-39(25-35)73(65,66)59-15-19-71-23-21-69-17-13-57-49(63)55-11-3-4-12-56-50(64)58-14-18-70-22-24-72-20-16-60-74(67,68)40-10-6-8-36(26-40)44-32-62(2)34-46-42(44)28-38(52)30-48(46)54/h5-10,25-30,43-44,59-60H,3-4,11-24,31-34H2,1-2H3,(H2,55,57,63)(H2,56,58,64)/t43-,44-/m0/s1 DR1549 CASMILES CN1CC(C2=C(C1)C(=CC(=C2)Cl)Cl)C3=CC(=CC=C3)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)C4=CC=CC(=C4)C5CN(CC6=C5C=C(C=C6Cl)Cl)C DR1549 CAS__NUM CAS 1234423-95-0 DR1549 PUBCMSID 163643268; 198966338; 240221763; 242654674; 252166659 DR1550 DRUG__ID DR1550 DR1550 DRUGNAME Teniposide DR1550 PUBCMCID 452548 DR1550 TTDRUGID D01DBQ DR1550 DFORMULA C32H32O13S DR1550 INCHIKEY NRUKOCRGYNPUPR-QBPJDGROSA-N DR1550 DRUINCHI 1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1 DR1550 CASMILES COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CS8)O)O DR1550 CAS__NUM CAS 29767-20-2 DR1550 PUBCMSID 597750; 7980753; 10300907; 14912717; 49965048; 51063681; 53788607; 57405354; 99030090; 99246079; 103589230; 104253379; 104645164; 118046116; 119526326; 124757497; 125164301; 135692278; 136178636; 137001864; 139137932; 140852399; 152035492; 162037723; 162174797; 163620769; 163686094; 175267905; 176484801; 178103449; 179116911; 184811965; 187072639; 223384958; 226396002; 241050196; 251887699; 252220258; 252390155; 252401148; 252451125 DR1552 DRUG__ID DR1552 DR1552 DRUGNAME Tenofovir alafenamide DR1552 PUBCMCID 9574768 DR1552 DFORMULA C21H29N6O5P DR1552 INCHIKEY LDEKQSIMHVQZJK-CAQYMETFSA-N DR1552 DRUINCHI 1S/C21H29N6O5P/c1-14(2)31-21(28)16(4)26-33(29,32-17-8-6-5-7-9-17)13-30-15(3)10-27-12-25-18-19(22)23-11-24-20(18)27/h5-9,11-12,14-16H,10,13H2,1-4H3,(H,26,29)(H2,22,23,24)/t15-,16+,33+/m1/s1 DR1552 CASMILES CC(C)OC(=O)C(C)NP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)OC3=CC=CC=C3 DR1552 CAS__NUM CAS 379270-37-8 DR1552 CHEBINUM 90926 DR1553 DRUG__ID DR1553 DR1553 DRUGNAME Tenofovir disoproxil DR1553 PUBCMCID 5481350 DR1553 DFORMULA C19H30N5O10P DR1553 INCHIKEY JFVZFKDSXNQEJW-CQSZACIVSA-N DR1553 DRUINCHI 1S/C19H30N5O10P/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22)/t14-/m1/s1 DR1553 CASMILES CC(C)OC(=O)OCOP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)OCOC(=O)OC(C)C DR1553 CAS__NUM CAS 201341-05-1 DR1553 CHEBINUM 63717 DR1554 DRUG__ID DR1554 DR1554 DRUGNAME Tenofovir disoproxil fumarate DR1554 PUBCMCID 6398764 DR1554 TTDRUGID D0R3FP DR1554 DFORMULA C23H34N5O14P DR1554 INCHIKEY VCMJCVGFSROFHV-WZGZYPNHSA-N DR1554 DRUINCHI 1S/C19H30N5O10P.C4H4O4/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24;5-3(6)1-2-4(7)8/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1+/t14-;/m1./s1 DR1554 CASMILES CC(C)OC(=O)OCOP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)OCOC(=O)OC(C)C.C(=CC(=O)O)C(=O)O DR1554 CAS__NUM CAS 202138-50-9 DR1554 CHEBINUM 63718 DR1555 DRUG__ID DR1555 DR1555 DRUGNAME Tenoxicam DR1555 PUBCMCID 54677971 DR1555 TTDRUGID D0I6IB DR1555 DFORMULA C13H11N3O4S2 DR1555 INCHIKEY LZNWYQJJBLGYLT-UHFFFAOYSA-N DR1555 DRUINCHI 1S/C13H11N3O4S2/c1-16-10(13(18)15-9-4-2-3-6-14-9)11(17)12-8(5-7-21-12)22(16,19)20/h2-7,17H,1H3,(H,14,15,18) DR1555 CASMILES CN1C(=C(C2=C(S1(=O)=O)C=CS2)O)C(=O)NC3=CC=CC=N3 DR1555 CAS__NUM CAS 59804-37-4 DR1555 CHEBINUM 32192 DR1557 DRUG__ID DR1557 DR1557 DRUGNAME Terbinafine hydrochloride DR1557 PUBCMCID 5282481 DR1557 TTDRUGID D01AYJ DR1557 DFORMULA C21H26ClN DR1557 INCHIKEY BWMISRWJRUSYEX-SZKNIZGXSA-N DR1557 DRUINCHI 1S/C21H25N.ClH/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19;/h5-7,9-14H,16-17H2,1-4H3;1H/b9-5+; DR1557 CASMILES CC(C)(C)C#CC=CCN(C)CC1=CC=CC2=CC=CC=C21.Cl DR1557 CAS__NUM CAS 78628-80-5 DR1557 CHEBINUM 77614 DR1558 DRUG__ID DR1558 DR1558 DRUGNAME Terfenadine DR1558 PUBCMCID 5405 DR1558 TTDRUGID D08SOF DR1558 DFORMULA C32H41NO2 DR1558 INCHIKEY GUGOEEXESWIERI-UHFFFAOYSA-N DR1558 DRUINCHI 1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3 DR1558 CASMILES CC(C)(C)C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O DR1558 CAS__NUM CAS 50679-08-8 DR1558 CHEBINUM 9453 DR1558 PUBCMSID 9666; 511394; 855647; 3154381; 5639782; 7847587; 7980761; 8150039; 8153324; 10321465; 10524514; 11336186; 11361425; 11427139; 11462397; 11466166; 11467286; 11485891; 12013836; 14907543; 17405767; 24277779; 26752308; 29224457; 46507007; 47662382; 47662383; 47736580; 47810839; 47810840; 48035221; 48110535; 48416601; 49698808; 49703451; 50015354; 50105228; 50105229; 53778319; 53787217; 56422373; 57322760; 79821290; 85089724; 85209594; 85231279; 85787897; 90341346; 92125182; 92303330 DR1559 DRUG__ID DR1559 DR1559 DRUGNAME ZK-31224 DR1559 PUBCMCID 443951 DR1559 TTDRUGID D01ZOB DR1559 DFORMULA C20H28N4O DR1559 INCHIKEY JOAHPSVPXZTVEP-YXJHDRRASA-N DR1559 DRUINCHI 1S/C20H28N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)/t14-,16+,18+/m0/s1 DR1559 CASMILES CCN(CC)C(=O)NC1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)C DR1559 CAS__NUM CAS 37686-84-3 DR1559 CHEBINUM 32193 DR1559 PUBCMSID 7848411; 10299440; 11466973; 11468093; 11486805; 11533045; 12013758; 14753698; 24278800; 36887095; 47365364; 47515474; 48035299; 48334658; 49699375; 57404568; 75574382; 92125876; 103272403; 103914554; 103928787; 104631021; 124800150; 124893608; 134223771; 135651246; 136112725; 137249381; 141724362; 144204835; 162226496; 164840227; 175268337; 179150405; 223554845; 224890546; 226513252; 241066802 DR1560 DRUG__ID DR1560 DR1560 DRUGNAME TD-758 DR1560 PUBCMCID 23480 DR1560 TTDRUGID D0Y3ZP DR1560 DFORMULA C20H27N DR1560 INCHIKEY UISARWKNNNHPGI-UHFFFAOYSA-N DR1560 DRUINCHI 1S/C20H27N/c1-16(21-20(2,3)4)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19,21H,15H2,1-4H3 DR1560 CASMILES CC(CC(C1=CC=CC=C1)C2=CC=CC=C2)NC(C)(C)C DR1560 CAS__NUM CAS 15793-40-5 DR1560 CHEBINUM 135168 DR1561 DRUG__ID DR1561 DR1561 DRUGNAME Tertatolol DR1561 PUBCMCID 23815478 DR1561 TTDRUGID D03SFU DR1561 DFORMULA C16H25NO2S DR1561 INCHIKEY HTWFXPCUFWKXOP-CYBMUJFWSA-N DR1561 DRUINCHI 1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3/t13-/m1/s1 DR1561 CASMILES CC(C)(C)NCC(COC1=CC=CC2=C1SCCC2)O DR1561 CAS__NUM CAS 34784-64-0 DR1561 PUBCMSID 47434916; 48105263; 56060534; 135651248; 198934794 DR1562 DRUG__ID DR1562 DR1562 DRUGNAME YMB-1002 DR1562 PUBCMCID 108092 DR1562 TTDRUGID D0X9PW DR1562 DFORMULA C19H25NO DR1562 INCHIKEY NFIXBCVWIPOYCD-UHFFFAOYSA-N DR1562 DRUINCHI 1S/C19H25NO/c1-3-20(4-2)14-15-21-19-12-10-18(11-13-19)16-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3 DR1562 CASMILES CCN(CC)CCOC1=CC=C(C=C1)CC2=CC=CC=C2 DR1562 CAS__NUM CAS 98774-23-3 DR1562 CHEBINUM 93414 DR1564 DRUG__ID DR1564 DR1564 DRUGNAME Testosterone cypionate DR1564 PUBCMCID 441404 DR1564 DFORMULA C27H40O3 DR1564 INCHIKEY HPFVBGJFAYZEBE-ZLQWOROUSA-N DR1564 DRUINCHI 1S/C27H40O3/c1-26-15-13-20(28)17-19(26)8-9-21-22-10-11-24(27(22,2)16-14-23(21)26)30-25(29)12-7-18-5-3-4-6-18/h17-18,21-24H,3-16H2,1-2H3/t21-,22-,23-,24-,26-,27-/m0/s1 DR1564 CASMILES CC12CCC3C(C1CCC2OC(=O)CCC4CCCC4)CCC5=CC(=O)CCC35C DR1564 CAS__NUM CAS 58-20-8 DR1564 CHEBINUM 9463 DR1565 DRUG__ID DR1565 DR1565 DRUGNAME Testosterone enanthate DR1565 PUBCMCID 9416 DR1565 DFORMULA C26H40O3 DR1565 INCHIKEY VOCBWIIFXDYGNZ-IXKNJLPQSA-N DR1565 DRUINCHI 1S/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h17,20-23H,4-16H2,1-3H3/t20-,21-,22-,23-,25-,26-/m0/s1 DR1565 CASMILES CCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C DR1565 CAS__NUM CAS 315-37-7 DR1565 CHEBINUM 9464 DR1566 DRUG__ID DR1566 DR1566 DRUGNAME Testosterone undecanoate DR1566 PUBCMCID 65157 DR1566 TTDRUGID D02AXG DR1566 DFORMULA C30H48O3 DR1566 INCHIKEY UDSFVOAUHKGBEK-CNQKSJKFSA-N DR1566 DRUINCHI 1S/C30H48O3/c1-4-5-6-7-8-9-10-11-12-28(32)33-27-16-15-25-24-14-13-22-21-23(31)17-19-29(22,2)26(24)18-20-30(25,27)3/h21,24-27H,4-20H2,1-3H3/t24-,25-,26-,27-,29-,30-/m0/s1 DR1566 CASMILES CCCCCCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C DR1566 CAS__NUM CAS 5949-44-0 DR1566 CHEBINUM 135741 DR1566 PUBCMSID 8189552; 14906816; 14906817; 43121994; 47207745; 50049755; 50175053; 53786919; 57315356; 91616147; 104333040;119501543; 126667397; 129353752; 135023127; 137117249; 160698246; 163413446; 163849167; 164234097; 175268717; 184552224; 198993637; 223675394; 226513522; 241089167; 250001622; 251887422; 252088562; 252122171; 252159067; 252357073 DR1567 DRUG__ID DR1567 DR1567 DRUGNAME Tetrabenazine DR1567 PUBCMCID 6018 DR1567 TTDRUGID D09PJX DR1567 DFORMULA C19H27NO3 DR1567 INCHIKEY MKJIEFSOBYUXJB-UHFFFAOYSA-N DR1567 DRUINCHI 1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3 DR1567 CASMILES CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1=O)OC)OC DR1567 CAS__NUM CAS 58-46-8 DR1567 CHEBINUM 64028 DR1567 PUBCMSID 13350; 442479; 444004; 5761629; 7914317; 7980763; 8153747; 10528302; 11501999; 14975282; 29216102; 29225032; 46506426; 47331537; 49834869; 49890235; 50086515; 51230337; 56311658; 57323119; 81066398; 85824684; 90341774; 92291104; 96025259; 99358095; 103928969; 104234203; 104253381; 104310884; 106228516;117913352; 118252979; 121361938; 124530403; 124671347; 124757499; 125164303; 125205323; 125488233; 126658298; 126687256; 128608402; 134222085; 134338041; 135588520; 135610686; 135692279; 137248553; 141463478 DR1568 DRUG__ID DR1568 DR1568 DRUGNAME Tetracycline DR1568 PUBCMCID 54675776 DR1568 TTDRUGID D0Z5PF DR1568 DFORMULA C22H24N2O8 DR1568 INCHIKEY NWXMGUDVXFXRIG-WESIUVDSSA-N DR1568 DRUINCHI 1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25-26,29,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1 DR1568 CASMILES CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O DR1568 CAS__NUM CAS 60-54-8 DR1568 CHEBINUM 27902 DR1568 PUBCMSID 8799; 597088; 855950; 7847269; 7980765; 8144439; 11336002; 11361241; 11363928; 11366490; 11369052; 11371550; 11373922; 11377214; 11462213; 11466168; 11467288; 11485193; 11485895; 11489145; 11490381; 11492167; 11494848; 14759560; 14930699; 24888860; 24900120; 25643873; 36634859; 39289915; 39404343; 43135372; 46506693; 47216820; 47515360; 47662329; 47662330; 47810796; 48035170; 48035171; 48416604; 49698367; 53790074; 53790289; 56311360; 56311878; 56313073; 56313451; 56314320; 57288852 DR1570 DRUG__ID DR1570 DR1570 DRUGNAME CBT-1 DR1570 PUBCMCID 73078 DR1570 TTDRUGID D0G4ES DR1570 DFORMULA C38H42N2O6 DR1570 INCHIKEY WVTKBKWTSCPRNU-KYJUHHDHSA-N DR1570 DRUINCHI 1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1 DR1570 CASMILES CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC DR1570 CAS__NUM CAS 518-34-3 DR1570 CHEBINUM 49 DR1571 DRUG__ID DR1571 DR1571 DRUGNAME VX-661 DR1571 PUBCMCID 46199646 DR1571 TTDRUGID D0Z5HR DR1571 DFORMULA C26H27F3N2O6 DR1571 INCHIKEY MJUVRTYWUMPBTR-MRXNPFEDSA-N DR1571 DRUINCHI 1S/C26H27F3N2O6/c1-24(2,13-33)22-8-14-7-18(17(27)10-19(14)31(22)11-16(34)12-32)30-23(35)25(5-6-25)15-3-4-20-21(9-15)37-26(28,29)36-20/h3-4,7-10,16,32-34H,5-6,11-13H2,1-2H3,(H,30,35)/t16-/m1/s1 DR1571 CASMILES CC(C)(CO)C1=CC2=CC(=C(C=C2N1CC(CO)O)F)NC(=O)C3(CC3)C4=CC5=C(C=C4)OC(O5)(F)F DR1571 CAS__NUM CAS 1152311-62-0 DR1571 PUBCMSID 96053596; 120466965; 138151262; 138798168; 140416866; 163620885; 163686208; 163770942; 164178299; 165245604; 170502668; 184823505; 189254077; 224274711; 226660026; 235375449; 248389873; 249734895; 251910604; 252155499; 252160789; 252163519; 252228808; 252319752; 252553650; 252811067 DR1572 DRUG__ID DR1572 DR1572 DRUGNAME Thalidomide DR1572 PUBCMCID 5426 DR1572 TTDRUGID D0U7GK DR1572 DFORMULA C13H10N2O4 DR1572 INCHIKEY UEJJHQNACJXSKW-UHFFFAOYSA-N DR1572 DRUINCHI 1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17) DR1572 CASMILES C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3C2=O DR1572 CAS__NUM CAS 50-35-1 DR1572 CHEBINUM 74947 DR1572 PUBCMSID 10112; 111716; 398060; 398061; 482479; 596356; 5642997; 7847819; 7980770; 8150004; 8153340; 10321467; 10524356; 11120267; 11120755; 11121243; 11121763; 11122243; 11335226; 11360465; 11362910; 11364734; 11365472; 11367296; 11368034; 11369858; 11371011; 11371012; 11372649; 11372899; 11373635; 11374612; 11375458; 11376196; 11378022; 11428259; 11450681; 11461437; 11466220; 11467340; 11484629; 11485800; 11488523; 11491530; 11492901; 11532929; 12013404; 14798889; 17405778; 22391552 DR1574 DRUG__ID DR1574 DR1574 DRUGNAME SC-15090 DR1574 PUBCMCID 5429 DR1574 TTDRUGID D0I0DS DR1574 DFORMULA C7H8N4O2 DR1574 INCHIKEY YAPQBXQYLJRXSA-UHFFFAOYSA-N DR1574 DRUINCHI 1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) DR1574 CASMILES CN1C=NC2=C1C(=O)NC(=O)N2C DR1574 CAS__NUM CAS 83-67-0 DR1574 CHEBINUM 28946 DR1574 PUBCMSID 9683; 71209; 856014; 3140386; 5643001; 7836011; 8144898; 8149609; 8153341; 10321963; 10536794; 11111887; 11111888; 11335786; 11361025; 11362847; 11365409; 11367971; 11371358; 11373805; 11376133; 11461997; 11466902; 11468022; 11484785; 11486604; 11488801; 11490095; 11492218; 11493867; 11528351; 11537624; 12016149; 15120610; 17405743; 21317891; 24277679; 24697529; 26612003; 26679414; 26747084; 26747085; 26751592; 29224481; 38230076; 46508574; 47216765; 47216766; 47291118; 47515310 DR1575 DRUG__ID DR1575 DR1575 DRUGNAME Theophylline DR1575 PUBCMCID 2153 DR1575 TTDRUGID D0F8RA DR1575 DFORMULA C7H8N4O2 DR1575 INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N DR1575 DRUINCHI 1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) DR1575 CASMILES CN1C2=C(C(=O)N(C1=O)C)NC=N2 DR1575 CAS__NUM CAS 58-55-9 DR1575 CHEBINUM 28177 DR1575 PUBCMSID 9340; 68760; 603445; 855679; 3140219; 4657313; 5643002; 7847437; 7890742; 7980771; 8026207; 8144385; 8149549; 8151463; 10518342; 10528330; 10528902; 11335378; 11360617; 11363932; 11366494; 11369056; 11371683; 11373924; 11377218; 11406129; 11461589; 11466848; 11466901; 11467968; 11468021; 11484559; 11486376; 11486602; 11488658; 11490488; 11492168; 11494852; 11537637; 14772732; 17389715; 21317898; 22390364; 22391535; 24277677; 24900236; 24900474; 24900581; 26611941; 26679415 DR1578 DRUG__ID DR1578 DR1578 DRUGNAME Thiabendazole DR1578 PUBCMCID 5430 DR1578 TTDRUGID D08QCJ DR1578 DFORMULA C10H7N3S DR1578 INCHIKEY WJCNZQLZVWNLKY-UHFFFAOYSA-N DR1578 DRUINCHI 1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13) DR1578 CASMILES C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3 DR1578 CAS__NUM CAS 148-79-8 DR1578 CHEBINUM 45979 DR1578 PUBCMSID 9341; 397296; 481912; 603021; 855607; 906414; 3319048; 4262837; 5643850; 7847438; 7868816; 7890801; 7980772; 8149550; 8153342; 10321759; 10508572; 10589481; 11112304; 11335247; 11360486; 11362813; 11365375; 11367937; 11372373; 11373926; 11376099; 11408671; 11446358; 11453179; 11461458; 11466552; 11467672; 11485217;11486164; 11489147; 11491222; 11492169; 11493853; 11534461; 14717006; 15195537; 17389714; 24869246; 24899102; 24900297; 24900571; 26611942; 26679510; 26697097 DR1579 DRUG__ID DR1579 DR1579 DRUGNAME Thiamylal DR1579 PUBCMCID 3032285 DR1579 TTDRUGID D06NSA DR1579 DFORMULA C12H18N2O2S DR1579 INCHIKEY XLOMZPUITCYLMJ-UHFFFAOYSA-N DR1579 DRUINCHI 1S/C12H18N2O2S/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17) DR1579 CASMILES CCCC(C)C1(C(=O)NC(=S)NC1=O)CC=C DR1579 CAS__NUM CAS 77-27-0 DR1579 CHEBINUM 9536 DR1579 PUBCMSID 10048; 415165; 4984465; 10047163; 10535516; 11336165; 11361404; 11364718; 11367280; 11369842; 11372902; 11374153; 11378006; 11462376; 11484303; 11488200; 11491597; 11492392; 11495626; 11533350; 14847827; 24900605; 36076551; 46506261; 47207764; 47662378; 48035218; 48110530; 50065188; 50920492; 57352618; 57654714; 81065588; 85787996; 103165645; 111631835; 117425385; 129706261; 134337973; 134972312; 137101017; 137241738; 160964488; 164788465; 178103878; 179039353; 179225380; 184546708; 226856989; 238005100 DR1580 DRUG__ID DR1580 DR1580 DRUGNAME Thiopental DR1580 PUBCMCID 3000715 DR1580 TTDRUGID D00MYT DR1580 DFORMULA C11H18N2O2S DR1580 INCHIKEY IUJDSEJGGMCXSG-UHFFFAOYSA-N DR1580 DRUINCHI 1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16) DR1580 CASMILES CCCC(C)C1(C(=O)NC(=S)NC1=O)CC DR1580 CAS__NUM CAS 76-75-5 DR1580 CHEBINUM 102166 DR1580 PUBCMSID 9724; 607917; 4785343; 6467449; 7980775; 10036288; 10535341; 11336168; 11361407; 11364686; 11367248; 11369810; 11372900; 11374149; 11377973; 11462379; 11485951; 11489814; 11491596; 11492390; 11495600; 14847511; 24899925; 24899928; 29215503; 34666697; 46504621; 47662379; 48259334; 48259335; 48416612; 49874351; 50521000; 57410125; 57654650; 81065587; 85307774; 85787415; 92714660; 103165674; 103954037; 104226110; 111610413; 117425383; 126623959; 126670641; 128221740; 134337950; 134971833; 135651257 DR1581 DRUG__ID DR1581 DR1581 DRUGNAME Thioridazine DR1581 PUBCMCID 5452 DR1581 TTDRUGID D0U1OE DR1581 DFORMULA C21H26N2S2 DR1581 INCHIKEY KLBQZWRITKRQQV-UHFFFAOYSA-N DR1581 DRUINCHI 1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3 DR1581 CASMILES CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC DR1581 CAS__NUM CAS 50-52-2 DR1581 CHEBINUM 9566 DR1581 PUBCMSID 616470; 5646742; 7847439; 7980776; 8153353; 10524427; 11335241; 11360480; 11363960; 11364721; 11366522; 11367283; 11369084; 11369845; 11371630; 11372886; 11373930; 11375445; 11377246; 11378009; 11461452; 11466106; 11467226; 11485219; 11485952; 11489148; 11490401; 11492171; 11494880; 12013415; 14804036; 26752322; 29224497; 46509070; 47216619; 47216620; 47290971; 47440079; 47515153; 47515154; 47588829; 47810593; 48110292; 48334314; 48334315; 48416615; 49658718; 49698892; 50006598; 50105272 DR1583 DRUG__ID DR1583 DR1583 DRUGNAME Thiotepa DR1583 PUBCMCID 5453 DR1583 TTDRUGID D00YZA DR1583 DFORMULA C6H12N3PS DR1583 INCHIKEY FOCVUCIESVLUNU-UHFFFAOYSA-N DR1583 DRUINCHI 1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2 DR1583 CASMILES C1CN1P(=S)(N2CC2)N3CC3 DR1583 CAS__NUM CAS 52-24-4 DR1583 CHEBINUM 9570 DR1583 PUBCMSID 9843; 72371; 649541; 3140674; 5647700; 7847649; 7980777; 8149979; 8153354; 11335992; 11361231; 11364583; 11367145; 11369707; 11372787; 11373954; 11377869; 11417492; 11462203; 11485170; 11489373; 11491409; 11492023; 11495503; 15322228; 24900346; 26612468; 26679451; 26748780; 26748781; 26748782; 26753739; 29224498; 46505958; 47736527; 48259276; 48334538; 48414528; 48416616; 48424268; 49854391; 50107461; 53663888; 53789872; 57260086; 57264451; 57322788; 68530579; 83572147; 88826535 DR1584 DRUG__ID DR1584 DR1584 DRUGNAME Thiothixene DR1584 PUBCMCID 941651 DR1584 TTDRUGID D0E0LQ DR1584 DFORMULA C23H29N3O2S2 DR1584 INCHIKEY GFBKORZTTCHDGY-UWVJOHFNSA-N DR1584 DRUINCHI 1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8- DR1584 CASMILES CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C DR1584 CAS__NUM CAS 5591-45-7 DR1584 CHEBINUM 9571 DR1584 PUBCMSID 616474; 7847440; 7980778; 9208389; 10527275; 11532885; 12013417; 14759539; 44891823; 46505564; 47217055; 47736752; 47811025; 48035404; 48110727; 48334780; 50054592; 50054593; 50111253; 57408892; 76674035; 81049375; 93167171; 103358973; 110097312; 124750269; 124799400; 126673294; 134221874; 134337630; 135022512; 135651260; 137005727; 140637626; 151990180; 160964859; 175268220; 179148852; 184580899; 184590634; 223667992; 223704321; 226420796; 241073624; 241180615; 249983475; 252347478; 252401248; 252451220; 252655323 DR1585 DRUG__ID DR1585 DR1585 DRUGNAME Thiram DR1585 PUBCMCID 5455 DR1585 TTDRUGID D02UVS DR1585 DFORMULA C6H12N2S4 DR1585 INCHIKEY KUAZQDVKQLNFPE-UHFFFAOYSA-N DR1585 DRUINCHI 1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3 DR1585 CASMILES CN(C)C(=S)SSC(=S)N(C)C DR1585 CAS__NUM CAS 137-26-8 DR1585 CHEBINUM 9495 DR1586 DRUG__ID DR1586 DR1586 DRUGNAME Thymidine DR1586 PUBCMCID 5789 DR1586 TTDRUGID D01GLG DR1586 DFORMULA C10H14N2O5 DR1586 INCHIKEY IQFYYKKMVGJFEH-XLPZGREQSA-N DR1586 DRUINCHI 1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1 DR1586 CASMILES CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O DR1586 CAS__NUM CAS 50-89-5 DR1586 CHEBINUM 17748 DR1586 PUBCMSID 3221; 3514; 584044; 585552; 610621; 829296; 841406; 866851; 3139601; 6436454; 7890767; 7980785; 8012955; 8027291; 8145493; 8153560; 11108071; 15196472; 22394774; 24899996; 24900588; 26704873; 26706463; 26718291; 26737504; 26737509; 26754268; 29196250; 29215196; 29224823; 46393445; 48416620; 49684293; 49833280; 50054703; 53789080; 56385553; 57322955; 58874714; 79679336; 85165052; 87576219; 91702399; 92297558; 92712972; 103240092; 103851056; 104310262; 117584596; 118260657 DR1588 DRUG__ID DR1588 DR1588 DRUGNAME Tiagabine DR1588 PUBCMCID 60648 DR1588 TTDRUGID D0ED7U DR1588 DFORMULA C20H25NO2S2 DR1588 INCHIKEY PBJUNZJWGZTSKL-MRXNPFEDSA-N DR1588 DRUINCHI 1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1 DR1588 CASMILES CC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)C DR1588 CAS__NUM CAS 115103-54-3 DR1588 CHEBINUM 9586 DR1588 PUBCMSID 9706; 7980788; 8186978; 14804309; 14926800; 26758048; 43118012; 46505560; 48416622; 50015636; 50510996; 53787330;92723327; 93166176; 96025272; 103276854; 103946490; 104321287; 117542112; 126592912; 126617580; 128891680; 134337484; 135016989; 137002486; 142970946; 160847730; 160964245; 163418753; 163850077; 164814870; 172858819; 175268881; 178101399; 178101520; 179116918; 184545901; 210279817; 210282140; 223441308; 223554966; 223655564; 224165587; 226421082; 251916677; 251917916; 251970975; 252357544 DR1589 DRUG__ID DR1589 DR1589 DRUGNAME Tianeptine DR1589 PUBCMCID 68870 DR1589 TTDRUGID D06CVT DR1589 DFORMULA C21H25ClN2O4S DR1589 INCHIKEY JICJBGPOMZQUBB-UHFFFAOYSA-N DR1589 DRUINCHI 1S/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26) DR1589 CASMILES CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)NCCCCCCC(=O)O DR1589 CAS__NUM CAS 26638-66-4 DR1589 CHEBINUM 91749 DR1589 PUBCMSID 6243297; 8192407; 14930306; 17396746; 43125383; 49834577; 57317121; 78806126; 85175447; 91616270; 92719757; 99381468; 104343282; 117461940; 118844741; 123087233; 125355861; 126620557; 126655743; 126669538; 128278297; 131323118; 134338709; 135204769; 135259984; 137172964; 142970937; 152040009; 152258933; 160647777; 162178730; 163068340; 164234531; 164765590; 164814565; 177748539; 179226145; 185990403; 187072591; 211536271; 223365894; 223387136; 223678309; 223704753; 224381628; 226433082; 242455962; 252357546; 252357547; 252424765 DR1590 DRUG__ID DR1590 DR1590 DRUGNAME Tibolone DR1590 PUBCMCID 444008 DR1590 TTDRUGID D0W3OS DR1590 DFORMULA C21H28O2 DR1590 INCHIKEY WZDGZWOAQTVYBX-XOINTXKNSA-N DR1590 DRUINCHI 1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1 DR1590 CASMILES CC1CC2=C(CCC(=O)C2)C3C1C4CCC(C4(CC3)C)(C#C)O DR1590 CAS__NUM CAS 5630-53-5 DR1590 CHEBINUM 32223 DR1590 PUBCMSID 7848702; 7980791; 10299464; 12013759; 14776671; 14874367; 36887128; 46386825; 48416626; 49681624; 49833539; 50865117; 53788419; 57404588; 71821445; 91616275; 92308642; 92309026; 92717925; 92741022; 104631120; 119525094; 124659125; 124800021; 126621866; 126659581; 129655300; 134986859; 137129351; 137234453; 144205803;152102616; 160692461; 162176925; 164234540; 170465874; 172080521; 176484484; 179150655; 198967371; 223817077; 226426261; 241108113; 250136780; 252159141; 252357550; 252457660 DR1591 DRUG__ID DR1591 DR1591 DRUGNAME Ticagrelor DR1591 PUBCMCID 9871419 DR1591 TTDRUGID D0WF7L DR1591 DFORMULA C23H28F2N6O4S DR1591 INCHIKEY OEKWJQXRCDYSHL-FNOIDJSQSA-N DR1591 DRUINCHI 1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1 DR1591 CASMILES CCCSC1=NC(=C2C(=N1)N(N=N2)C3CC(C(C3O)O)OCCO)NC4CC4C5=CC(=C(C=C5)F)F DR1591 CAS__NUM CAS 274693-27-5 DR1591 CHEBINUM 68558 DR1591 PUBCMSID 14836432; 14860737; 24162024; 45293678; 49684205; 57373617; 77877844; 92729712; 96025700; 103554312; 123051091; 124759706; 126644885; 126666051; 135649975; 136345665; 137171656; 139857160; 152040158; 152258075; 160645837; 160646914; 162011636; 163346229; 163383616; 164178089; 164765598; 165245536; 170501033; 171063069; 172914585; 174528632; 175267325; 175427101; 185974765; 189657701; 198993342; 211534943; 223384813; 223666650; 224638556; 228139491; 247988848; 249582784; 249807649; 249807650; 249816423; 251966736; 251970939; 252216468 DR1592 DRUG__ID DR1592 DR1592 DRUGNAME Ticlopidine DR1592 PUBCMCID 5472 DR1592 TTDRUGID D05LBU DR1592 DFORMULA C14H14ClNS DR1592 INCHIKEY PHWBOXQYWZNQIN-UHFFFAOYSA-N DR1592 DRUINCHI 1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 DR1592 CASMILES C1CN(CC2=C1SC=C2)CC3=CC=CC=C3Cl DR1592 CAS__NUM CAS 55142-85-3 DR1592 CHEBINUM 9588 DR1592 PUBCMSID 9349; 5650061; 7980793; 8153361; 10526772; 11112786; 11466075; 11467195; 11485830; 15197138; 26751617; 29224517; 46504438; 47291227; 47440368; 47589090; 48110545; 48416628; 49698319; 50053360; 50085878; 50100522; 50139240; 50661300; 57288855; 57322795; 61110231; 85209800; 85787491; 90945105; 92308854; 92714062; 93167187; 93625532; 96025278; 99309316; 103219164; 104171328; 104309332; 117785149; 124882622; 124882623; 124882624; 124882625; 124882626; 124882627; 125203923; 126629679; 126666024; 128918298 DR1593 DRUG__ID DR1593 DR1593 DRUGNAME Tienilic acid DR1593 PUBCMCID 38409 DR1593 TTDRUGID D0T0TZ DR1593 DFORMULA C13H8Cl2O4S DR1593 INCHIKEY AGHANLSBXUWXTB-UHFFFAOYSA-N DR1593 DRUINCHI 1S/C13H8Cl2O4S/c14-11-7(13(18)9-2-1-5-20-9)3-4-8(12(11)15)19-6-10(16)17/h1-5H,6H2,(H,16,17) DR1593 CASMILES C1=CSC(=C1)C(=O)C2=C(C(=C(C=C2)OCC(=O)O)Cl)Cl DR1593 CAS__NUM CAS 40180-04-9 DR1593 CHEBINUM 9590 DR1595 DRUG__ID DR1595 DR1595 DRUGNAME Timolol maleate DR1595 PUBCMCID 5281056 DR1595 TTDRUGID D05UVD DR1595 DFORMULA C17H28N4O7S DR1595 INCHIKEY WLRMANUAADYWEA-NWASOUNVSA-N DR1595 DRUINCHI 1S/C13H24N4O3S.C4H4O4/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t10-;/m0./s1 DR1595 CASMILES CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)O.C(=CC(=O)O)C(=O)O DR1595 CAS__NUM CAS 26921-17-5 DR1595 CHEBINUM 9600 DR1596 DRUG__ID DR1596 DR1596 DRUGNAME Tinidazole DR1596 PUBCMCID 5479 DR1596 TTDRUGID D0O4SE DR1596 DFORMULA C8H13N3O4S DR1596 INCHIKEY HJLSLZFTEKNLFI-UHFFFAOYSA-N DR1596 DRUINCHI 1S/C8H13N3O4S/c1-3-16(14,15)5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3 DR1596 CASMILES CCS(=O)(=O)CCN1C(=NC=C1[N+](=O)[O-])C DR1596 CAS__NUM CAS 19387-91-8 DR1596 CHEBINUM 63627 DR1597 DRUG__ID DR1597 DR1597 DRUGNAME BW-5071 DR1597 PUBCMCID 2723601 DR1597 TTDRUGID D02ZXM DR1597 DFORMULA C5H5N5S DR1597 INCHIKEY WYWHKKSPHMUBEB-UHFFFAOYSA-N DR1597 DRUINCHI 1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11) DR1597 CASMILES C1=NC2=C(N1)C(=S)N=C(N2)N DR1597 CAS__NUM CAS 154-42-7 DR1597 CHEBINUM 9555 DR1597 PUBCMSID 9850; 538243; 610358; 3131990; 4361010; 4364659; 5646737; 6425700; 7980774; 8149552; 11335603; 11360842; 11363129; 11364886; 11365691; 11367448; 11368253; 11370010; 11371594; 11373049; 11374590; 11375610; 11376415; 11378179; 11445995; 11451636; 11461814; 11484585; 11488511; 11490393; 11492741; 11494049; 14772534; 15171129; 16902289; 23926847; 24890748; 24890892; 26611944; 26679349; 26748270; 26748271; 26748272; 30081936; 37587702; 46508170; 47365125; 48094105; 48110398; 48110399 DR1600 DRUG__ID DR1600 DR1600 DRUGNAME Tiotropium Bromide DR1600 PUBCMCID 5487426 DR1600 TTDRUGID D0Z7AB DR1600 DFORMULA C19H22BrNO4S2 DR1600 INCHIKEY DQHNAVOVODVIMG-RGECMCKFSA-M DR1600 DRUINCHI 1S/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1/t11?,12-,13+,16-,17+; DR1600 CASMILES C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.[Br-] DR1600 CAS__NUM CAS 136310-93-5 DR1600 CHEBINUM 90959 DR1600 PUBCMSID 12014767; 16431254; 16516650; 37101841; 57364284; 78006594; 92309156; 92714242; 93302582; 121264529; 125003137; 126592377; 126624303; 126655544; 134224129; 134337655; 135087660; 135693784; 136376471; 136946674; 144206151; 152059683; 152258759; 152343784; 160647604; 162038024; 162170559; 164194996; 164814954; 172440019; 172440020; 172919722; 174476476; 175268305; 180673829; 184811782; 187072489; 196106129; 198991441; 223658400; 226399777; 226763578; 233206887; 241032671; 242592071; 249845981; 250203609; 251916428; 251917775; 252039050 DR1601 DRUG__ID DR1601 DR1601 DRUGNAME Tipranavir DR1601 PUBCMCID 54682461 DR1601 TTDRUGID D0EV6T DR1601 DFORMULA C31H33F3N2O5S DR1601 INCHIKEY SUJUHGSWHZTSEU-FYBSXPHGSA-N DR1601 DRUINCHI 1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36-37H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1 DR1601 CASMILES CCCC1(CC(=C(C(=O)O1)C(CC)C2=CC(=CC=C2)NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)O)CCC4=CC=CC=C4 DR1601 CAS__NUM CAS 174484-41-4 DR1601 CHEBINUM 63628 DR1602 DRUG__ID DR1602 DR1602 DRUGNAME SR-4233 DR1602 PUBCMCID 135413511 DR1602 TTDRUGID D09XQU DR1602 DFORMULA C7H6N4O2 DR1602 INCHIKEY ORYDPOVDJJZGHQ-UHFFFAOYSA-N DR1602 DRUINCHI 1S/C7H6N4O2/c8-7-9-11(13)6-4-2-1-3-5(6)10(7)12/h1-4H,(H2,8,9) DR1602 CASMILES C1=CC=C2C(=C1)[N+](=C(N=[N+]2[O-])N)[O-] DR1602 CAS__NUM CAS 27314-97-2 DR1602 CHEBINUM 78887 DR1603 DRUG__ID DR1603 DR1603 DRUGNAME LS-172108 DR1603 PUBCMCID 104903 DR1603 DFORMULA C38H52N6O2 DR1603 INCHIKEY RBKASMJPSJDQKY-RBFSKHHSSA-N DR1603 DRUINCHI 1S/C38H52N6O2/c1-26-22-31-29-9-8-27-23-28(45)10-12-37(27,2)30(29)11-13-38(31,3)35(26)32(46)25-41-18-20-43(21-19-41)34-24-33(42-14-4-5-15-42)39-36(40-34)44-16-6-7-17-44/h10-12,23-24,26,29,31,35H,4-9,13-22,25H2,1-3H3/t26-,29-,31+,35-,37+,38+/m1/s1 DR1603 CASMILES CC1CC2C3CCC4=CC(=O)C=CC4(C3=CCC2(C1C(=O)CN5CCN(CC5)C6=NC(=NC(=C6)N7CCCC7)N8CCCC8)C)C DR1603 CAS__NUM CAS 110101-66-1 DR1603 CHEBINUM 135853 DR1605 DRUG__ID DR1605 DR1605 DRUGNAME Tizanidine hydrochloride DR1605 PUBCMCID 114869 DR1605 TTDRUGID D01MDT DR1605 DFORMULA C9H9Cl2N5S DR1605 INCHIKEY ZWUKMNZJRDGCTQ-UHFFFAOYSA-N DR1605 DRUINCHI 1S/C9H8ClN5S.ClH/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9;/h1-2H,3-4H2,(H2,11,12,13);1H DR1605 CASMILES C1CN=C(N1)NC2=C(C=CC3=NSN=C32)Cl.Cl DR1605 CAS__NUM CAS 64461-82-1 DR1605 CHEBINUM 9609 DR1606 DRUG__ID DR1606 DR1606 DRUGNAME Tobramycin DR1606 PUBCMCID 36294 DR1606 TTDRUGID D07BCT DR1606 DFORMULA C18H37N5O9 DR1606 INCHIKEY NLVFBUXFDBBNBW-PBSUHMDJSA-N DR1606 DRUINCHI 1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1 DR1606 CASMILES C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(CC(C(O3)CN)O)N)N DR1606 CAS__NUM CAS 32986-56-4 DR1606 CHEBINUM 28864 DR1607 DRUG__ID DR1607 DR1607 DRUGNAME Tocainide DR1607 PUBCMCID 38945 DR1607 TTDRUGID D01PJR DR1607 DFORMULA C11H16N2O DR1607 INCHIKEY BUJAGSGYPOAWEI-UHFFFAOYSA-N DR1607 DRUINCHI 1S/C11H16N2O/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12/h4-6,9H,12H2,1-3H3,(H,13,14) DR1607 CASMILES CC1=C(C(=CC=C1)C)NC(=O)C(C)N DR1607 CAS__NUM CAS 41708-72-9 DR1607 CHEBINUM 9611 DR1607 PUBCMSID 9351; 6596767; 7980808; 8175799; 11467055; 11468175; 11486810; 14797358; 26719896; 26755668; 34704899; 46386772; 46505385; 47207830; 47647789; 47945105; 48095800; 48170709; 49681729; 49699394; 50025969; 50111018; 50209485; 56313712; 56459344; 57312259; 85788915; 90341559; 92308356; 92714653; 92729958; 103990696; 104234273; 104330445; 117572998; 119526024; 124658847; 124800068; 125536952; 126623963; 127569462; 134337809; 135002146; 135111575; 135251693; 137231400; 142472715; 145355976; 160964390; 162022110 DR1608 DRUG__ID DR1608 DR1608 DRUGNAME Tocopherol DR1608 PUBCMCID 14985 DR1610 DRUG__ID DR1610 DR1610 DRUGNAME Tofacitinib citrate DR1610 PUBCMCID 10174505 DR1610 TTDRUGID D0EG1I DR1610 DFORMULA C22H28N6O8 DR1610 INCHIKEY SYIKUFDOYJFGBQ-YLAFAASESA-N DR1610 DRUINCHI 1S/C16H20N6O.C6H8O7/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t11-,13+;/m1./s1 DR1610 CASMILES CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O DR1610 CAS__NUM CAS 540737-29-9 DR1610 CHEBINUM 71197 DR1611 DRUG__ID DR1611 DR1611 DRUGNAME Tolazamide DR1611 PUBCMCID 5503 DR1611 TTDRUGID D09FJB DR1611 DFORMULA C14H21N3O3S DR1611 INCHIKEY OUDSBRTVNLOZBN-UHFFFAOYSA-N DR1611 DRUINCHI 1S/C14H21N3O3S/c1-12-6-8-13(9-7-12)21(19,20)16-14(18)15-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18) DR1611 CASMILES CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2 DR1611 CAS__NUM CAS 1156-19-0 DR1611 CHEBINUM 9613 DR1611 PUBCMSID 114000; 221319; 855941; 3277020; 5657915; 7847445; 7980809; 8149777; 8153383; 10321805; 11111869; 11111870; 11120085; 11120573; 11121061; 11121570; 11122050; 11147168; 11335387; 11360626; 11362639; 11364163; 11365201; 11366725; 11367763; 11369287; 11370549; 11370550; 11372624; 11373364; 11374078; 11375925; 11377449; 11455805; 11461598; 11466582; 11467702; 11485053; 11486284; 11489265; 11491288; 11492055; 11495083; 14850072; 17405749; 24277741; 26537486; 26612233; 26680152; 26747047 DR1612 DRUG__ID DR1612 DR1612 DRUGNAME Tolbutamide DR1612 PUBCMCID 5505 DR1612 TTDRUGID D06OIV DR1612 DFORMULA C12H18N2O3S DR1612 INCHIKEY JLRGJRBPOGGCBT-UHFFFAOYSA-N DR1612 DRUINCHI 1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15) DR1612 CASMILES CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C DR1612 CAS__NUM CAS 64-77-7 DR1612 CHEBINUM 27999 DR1612 PUBCMSID 9357; 85591; 640044; 855782; 5658513; 7847446; 7980810; 8144417; 8149557; 8153385; 10321470; 10531694; 11111857; 11111858; 11120087; 11120575; 11121063; 11121572; 11122052; 11147170; 11335516; 11360755; 11362641; 11363341; 11364689; 11365203; 11365903; 11367251; 11367765; 11368465; 11369813; 11370553; 11370554; 11371678; 11372854; 11373366; 11373934; 11375413; 11375927; 11376627; 11377976; 11457019; 11461727; 11466218; 11467338; 11484736; 11485776; 11489026; 11490415; 11492173 DR1613 DRUG__ID DR1613 DR1613 DRUGNAME GEA-6414 DR1613 PUBCMCID 610479 DR1613 DFORMULA C14H12ClNO2 DR1613 INCHIKEY YEZNLOUZAIOMLT-UHFFFAOYSA-N DR1613 DRUINCHI 1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18) DR1613 CASMILES CC1=C(C=CC=C1Cl)NC2=CC=CC=C2C(=O)O DR1613 CAS__NUM CAS 13710-19-5 DR1613 CHEBINUM 32243 DR1614 DRUG__ID DR1614 DR1614 DRUGNAME AV-650 DR1614 PUBCMCID 92965 DR1614 TTDRUGID D0X0WU DR1614 DFORMULA C16H24ClNO DR1614 INCHIKEY ZBUVYROEHQQAKL-UHFFFAOYSA-N DR1614 DRUINCHI 1S/C16H23NO.ClH/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17;/h6-9,14H,3-5,10-12H2,1-2H3;1H DR1614 CASMILES CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2.Cl DR1614 CAS__NUM CAS 728-88-1 DR1614 CHEBINUM 32244 DR1616 DRUG__ID DR1616 DR1616 DRUGNAME Tolterodine tartrate DR1616 PUBCMCID 443878 DR1616 TTDRUGID D0BZ7W DR1616 DFORMULA C26H37NO7 DR1616 INCHIKEY TWHNMSJGYKMTRB-KXYUELECSA-N DR1616 DRUINCHI 1S/C22H31NO.C4H6O6/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24;5-1(3(7)8)2(6)4(9)10/h6-12,15-17,20,24H,13-14H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)/t20-;1-,2-/m11/s1 DR1616 CASMILES CC1=CC(=C(C=C1)O)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2.C(C(C(=O)O)O)(C(=O)O)O DR1616 CAS__NUM CAS 124937-52-6 DR1617 DRUG__ID DR1617 DR1617 DRUGNAME Tolvaptan DR1617 PUBCMCID 216237 DR1617 TTDRUGID D03KZM DR1617 DFORMULA C26H25ClN2O3 DR1617 INCHIKEY GYHCTFXIZSNGJT-UHFFFAOYSA-N DR1617 DRUINCHI 1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31) DR1617 CASMILES CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)O)C DR1617 CAS__NUM CAS 150683-30-0 DR1617 CHEBINUM 32246 DR1617 PUBCMSID 9372812; 12015154; 14833208; 30419982; 47510146; 47657166; 51204548; 53789150; 57399753; 85210210; 85856516; 103375036; 103991970; 113461194; 124894207; 125341597; 126624049; 126646501; 126667032; 128023819; 134338710; 134340568; 135135410; 135651270; 135692541; 137249406; 138069831;144206807; 152134154; 160827363; 162038188; 162172255; 163093186; 163391946; 163884836; 172085105; 172914598; 175424760; 179149970; 187072445; 196109765; 198993114; 204366097; 208265503; 211536279; 223383397; 223659992; 224337427; 226592757; 242060063 DR1618 DRUG__ID DR1618 DR1618 DRUGNAME Topiramate DR1618 PUBCMCID 5284627 DR1618 TTDRUGID D07VDZ DR1618 DFORMULA C12H21NO8S DR1618 INCHIKEY KJADKKWYZYXHBB-XBWDGYHZSA-N DR1618 DRUINCHI 1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1 DR1618 CASMILES CC1(OC2COC3(C(C2O1)OC(O3)(C)C)COS(=O)(=O)N)C DR1618 CAS__NUM CAS 97240-79-4 DR1618 CHEBINUM 63631 DR1618 PUBCMSID 9705; 7847603; 7980814; 11039383; 11484731; 11488944; 11528651; 12013555; 14777895; 14924784; 24724627; 25819957; 26612934; 26719832; 39317930; 46386619; 46508334; 46511457; 47277061; 47425755; 48416647; 48764342; 49681704; 49835829; 50070928; 50123385; 53787612; 57359151; 77351910; 85248100; 92124710; 92307910; 92308459; 93167012; 93167145; 97857519; 99437151; 104109398; 104234233; 104971753; 124658936; 124757247; 124800161; 125164051; 125312450; 126525327; 126606833; 126670104; 128389335; 134337459 DR1619 DRUG__ID DR1619 DR1619 DRUGNAME FYX-051 DR1619 PUBCMCID 5288320 DR1619 TTDRUGID D0WK0P DR1619 DFORMULA C13H8N6 DR1619 INCHIKEY UBVZQGOVTLIHLH-UHFFFAOYSA-N DR1619 DRUINCHI 1S/C13H8N6/c14-8-11-7-10(3-6-16-11)13-17-12(18-19-13)9-1-4-15-5-2-9/h1-7H,(H,17,18,19) DR1619 CASMILES C1=CN=CC=C1C2=NC(=NN2)C3=CC(=NC=C3)C#N DR1619 CAS__NUM CAS 577778-58-6 DR1620 DRUG__ID DR1620 DR1620 DRUGNAME Torasemide DR1620 PUBCMCID 41781 DR1620 TTDRUGID D0J9XZ DR1620 DFORMULA C16H20N4O3S DR1620 INCHIKEY NGBFQHCMQULJNZ-UHFFFAOYSA-N DR1620 DRUINCHI 1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21) DR1620 CASMILES CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C DR1620 CAS__NUM CAS 56211-40-6 DR1620 CHEBINUM 9637 DR1620 PUBCMSID 7585786; 7847448; 8177279; 11112793; 11364670; 11367232; 11369794; 11373102; 11373959; 11377957; 11467058; 11468178; 11484799; 11486816; 11488958; 11491647; 11492105; 11495590; 11528723; 12012656; 14900728; 25819958; 26612831; 26680347; 26719820; 26748988; 26748989; 34707389; 46386585; 46504760; 47291390; 47515595; 47515596; 47736767; 48259511; 48334790; 48416649; 49665992; 49666477; 49681707; 49699258; 49833537; 50107501; 53789088; 56313713; 57312605; 80124867; 81040892; 85788916; 87560438 DR1623 DRUG__ID DR1623 DR1623 DRUGNAME Toremifene citrate DR1623 PUBCMCID 3005572 DR1623 TTDRUGID D04VFJ DR1623 DFORMULA C32H36ClNO8 DR1623 INCHIKEY IWEQQRMGNVVKQW-OQKDUQJOSA-N DR1623 DRUINCHI 1S/C26H28ClNO.C6H8O7/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-16H,17-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-; DR1623 CASMILES CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O DR1623 CAS__NUM CAS 89778-27-8 DR1623 CHEBINUM 9636 DR1625 DRUG__ID DR1625 DR1625 DRUGNAME Trabectedin DR1625 PUBCMCID 108150 DR1625 TTDRUGID D03RTK DR1625 DFORMULA C39H43N3O11S DR1625 INCHIKEY PKVRCIRHQMSYJX-AIFWHQITSA-N DR1625 DRUINCHI 1S/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3/t22-,23-,29+,30+,36+,37-,39+/m0/s1 DR1625 CASMILES CC1=CC2=C(C3C4C5C6=C(C(=C7C(=C6C(N4C(C(C2)N3C)O)COC(=O)C8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O DR1625 CAS__NUM CAS 114899-77-3 DR1625 CHEBINUM 84050 DR1625 PUBCMSID 10234617; 12014180; 14938004; 16067487; 44437036; 50047052; 50757578; 53788207; 57338466; 99443229; 104380621; 123092462; 126666934; 127334906; 127334907; 135256695; 135652680; 142813748; 144206315; 144206787; 160967837; 164765699; 184812413; 198978374; 223655497; 223736343; 237230406; 243425761; 252552191 DR1627 DRUG__ID DR1627 DR1627 DRUGNAME Tramadol hydrochloride DR1627 PUBCMCID 63013 DR1627 TTDRUGID D05GKD DR1627 DFORMULA C16H26ClNO2 DR1627 INCHIKEY PPKXEPBICJTCRU-XMZRARIVSA-N DR1627 DRUINCHI 1S/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t14-,16+;/m1./s1 DR1627 CASMILES CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O.Cl DR1627 CAS__NUM CAS 36282-47-0 DR1627 CHEBINUM 75733 DR1628 DRUG__ID DR1628 DR1628 DRUGNAME Tranilast DR1628 PUBCMCID 5282230 DR1628 TTDRUGID D0E6OC DR1628 DFORMULA C18H17NO5 DR1628 INCHIKEY NZHGWWWHIYHZNX-CSKARUKUSA-N DR1628 DRUINCHI 1S/C18H17NO5/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)/b10-8+ DR1628 CASMILES COC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O)OC DR1628 CAS__NUM CAS 53902-12-8 DR1628 CHEBINUM 77572 DR1628 PUBCMSID 855567; 7849089; 8616956; 12013287; 14801725; 17405845; 24278719; 26612911; 26680238; 26719641; 26759646; 39315705; 46386750; 47589114; 47810891; 47885539; 48416652; 49645767; 49684379; 49700724; 49887093; 50103918; 50103919; 50103920; 53778299; 56422140; 57288861; 57358583; 75624513; 85231347; 85789432; 87870631; 89850281; 90341124; 92303237; 92308202; 92308335; 92308903; 92711430; 99437152; 99444086; 103330746; 107388281; 113856723; 118303066; 121362071; 124637814; 124757248; 124799410; 124883425 DR1629 DRUG__ID DR1629 DR1629 DRUGNAME AK-602 DR1629 PUBCMCID 135353969 DR1629 TTDRUGID D0UG0K DR1629 DFORMULA C25H21N7O4 DR1629 INCHIKEY WISMPDBQEVMXPG-UHFFFAOYSA-N DR1629 DRUINCHI 1S/C25H21N7O4/c1-14-8-21(30-36-14)23-28-27-22-19-4-2-3-5-20(19)24(29-32(22)23)35-12-16-7-6-15(10-26-16)25(33)31-11-18-9-17(31)13-34-18/h2-8,10,17-18H,9,11-13H2,1H3 DR1629 CASMILES CC1=CC(=NO1)C2=NN=C3N2N=C(C4=CC=CC=C43)OCC5=NC=C(C=C5)C(=O)N6CC7CC6CO7 DR1631 DRUG__ID DR1631 DR1631 DRUGNAME Trazodone hydrochloride DR1631 PUBCMCID 62935 DR1631 TTDRUGID D00USF DR1631 DFORMULA C19H23Cl2N5O DR1631 INCHIKEY OHHDIOKRWWOXMT-UHFFFAOYSA-N DR1631 DRUINCHI 1S/C19H22ClN5O.ClH/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25;/h1-3,5-7,9,15H,4,8,10-14H2;1H DR1631 CASMILES C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl.Cl DR1631 CAS__NUM CAS 19666-36-5 DR1631 CHEBINUM 9655 DR1632 DRUG__ID DR1632 DR1632 DRUGNAME Treprostinil DR1632 PUBCMCID 6918140 DR1632 TTDRUGID D01WUA DR1632 DFORMULA C23H34O5 DR1632 INCHIKEY PAJMKGZZBBTTOY-ZFORQUDYSA-N DR1632 DRUINCHI 1S/C23H34O5/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1 DR1632 CASMILES CCCCCC(CCC1C(CC2C1CC3=C(C2)C(=CC=C3)OCC(=O)O)O)O DR1632 CAS__NUM CAS 81846-19-7 DR1632 CHEBINUM 50861 DR1632 PUBCMSID 14854155; 14878554; 23950807; 43529534; 46504572; 47207871; 50304326; 56394875; 57371812; 114787499; 128887520; 134224636; 135014308; 136933659; 137249659; 143205120; 162205084; 163138465; 164234753; 170467450; 174548947; 175265596; 178102445; 179117156; 223938513; 230287018; 250136886; 252356445; 252457273; 252469194 DR1634 DRUG__ID DR1634 DR1634 DRUGNAME Tretinoin DR1634 PUBCMCID 444795 DR1634 TTDRUGID D02DGU DR1634 DFORMULA C20H28O2 DR1634 INCHIKEY SHGAZHPCJJPHSC-YCNIQYBTSA-N DR1634 DRUINCHI 1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+ DR1634 CASMILES CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C DR1634 CAS__NUM CAS 302-79-4 DR1634 CHEBINUM 15367 DR1634 PUBCMSID 4038; 416403; 596063; 830710; 838467; 841067; 855632; 3138737; 7847162; 7890244; 7980826; 8143163; 8149916; 10299585; 10321438; 11528311; 12014646; 14825303; 14849563; 17405617; 24278674; 24702082; 26612256; 26680099; 26703748; 26716947; 26746936; 26746937; 26759442; 29214999; 31294611; 36887697; 46392576; 46487923; 47216527; 47959456; 47959457; 48110185; 48110186; 48184725; 48184726; 48184727; 48184728; 48258941; 48414424; 48483920; 49698408; 50103969; 50103970; 50126361 DR1636 DRUG__ID DR1636 DR1636 DRUGNAME Triamterene DR1636 PUBCMCID 5546 DR1636 TTDRUGID D00NKB DR1636 DFORMULA C12H11N7 DR1636 INCHIKEY FNYLWPVRPXGIIP-UHFFFAOYSA-N DR1636 DRUINCHI 1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19) DR1636 CASMILES C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N DR1636 CAS__NUM CAS 396-01-0 DR1636 CHEBINUM 9671 DR1636 PUBCMSID 118408; 602599; 855896; 933823; 5660597; 7847452; 8036221; 8149565; 8153414; 10321477; 11111878; 11111879; 11335608;11360847; 11363402; 11365964; 11368526; 11372243; 11373970; 11376688; 11452214; 11461819; 11466062; 11467182; 11484612; 11485784; 11488754; 11491187; 11492181; 11494322; 14774401; 17389703; 17405750;24277877; 26611958; 26679801; 26747035; 26751552; 29224587; 46507623; 47291080; 47588940; 47662218; 47662219; 47810690; 47885351; 47885352; 47959674; 48035047; 48334426 DR1637 DRUG__ID DR1637 DR1637 DRUGNAME Triazolam DR1637 PUBCMCID 5556 DR1637 TTDRUGID D0U3LS DR1637 DFORMULA C17H12Cl2N4 DR1637 INCHIKEY JOFWLTCLBGQGBO-UHFFFAOYSA-N DR1637 DRUINCHI 1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3 DR1637 CASMILES CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl DR1637 CAS__NUM CAS 28911-01-5 DR1637 CHEBINUM 9674 DR1637 PUBCMSID 5663633; 7847453; 7849624; 7980828; 8153415; 10517205; 12013397; 14875826; 24900602; 29214869; 29224597; 46509147; 50057244; 50113071; 53789234; 57322838; 58107043; 75839501; 85209509; 103189071; 103856603; 103916143; 104309572; 125536835; 128303523; 134337558; 134996744; 136949649; 137005119; 143051050; 144206170; 160964236; 164765748; 164765749; 175268086; 176262073; 178103886; 179116931; 184580915; 198991636; 210279816; 210282139; 223366877; 223454573; 224247842; 226416360; 250118403; 252357765 DR1639 DRUG__ID DR1639 DR1639 DRUGNAME Triclabendazole DR1639 PUBCMCID 50248 DR1639 TTDRUGID D02VMJ DR1639 DFORMULA C14H9Cl3N2OS DR1639 INCHIKEY NQPDXQQQCQDHHW-UHFFFAOYSA-N DR1639 DRUINCHI 1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19) DR1639 CASMILES CSC1=NC2=CC(=C(C=C2N1)Cl)OC3=C(C(=CC=C3)Cl)Cl DR1639 CAS__NUM CAS 68786-66-3 DR1639 CHEBINUM 94759 DR1640 DRUG__ID DR1640 DR1640 DRUGNAME Trifarotene DR1640 PUBCMCID 11518241 DR1640 TTDRUGID D06FOU DR1640 DFORMULA C29H33NO4 DR1640 INCHIKEY MFBCDACCJCDGBA-UHFFFAOYSA-N DR1640 DRUINCHI 1S/C29H33NO4/c1-29(2,3)25-19-23(10-12-26(25)30-14-4-5-15-30)24-18-22(11-13-27(24)34-17-16-31)20-6-8-21(9-7-20)28(32)33/h6-13,18-19,31H,4-5,14-17H2,1-3H3,(H,32,33) DR1640 CASMILES CC(C)(C)C1=C(C=CC(=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OCCO)N4CCCC4 DR1640 CAS__NUM CAS 895542-09-3 DR1640 PUBCMSID 16620175; 23646324; 79657850; 141152560; 163642844; 198936619; 226712396; 247778990 DR1641 DRUG__ID DR1641 DR1641 DRUGNAME Trifluoperazine DR1641 PUBCMCID 5566 DR1641 TTDRUGID D0R4OM DR1641 DFORMULA C21H24F3N3S DR1641 INCHIKEY ZEWQUBUPAILYHI-UHFFFAOYSA-N DR1641 DRUINCHI 1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3 DR1641 CASMILES CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F DR1641 CAS__NUM CAS 117-89-5 DR1641 CHEBINUM 45951 DR1641 PUBCMSID 9377; 602753; 841996; 4252673; 5664287; 7890752; 7980830; 10319712; 10505141; 11110644; 11110645; 11120338; 11120826; 11121314; 11121780; 11122260; 11336018; 11361257; 11362944; 11363562; 11364843; 11365506; 11366124; 11367405; 11368068; 11368686; 11369967; 11371059; 11371060; 11372247; 11373007; 11373669; 11373974; 11375567; 11376230; 11376848; 11378135; 11405822; 11408478; 11458546; 11460495; 11462229; 11466341; 11467461; 11484491; 11486261; 11488644; 11491189; 11492183; 11494482 DR1642 DRUG__ID DR1642 DR1642 DRUGNAME P-459 DR1642 PUBCMCID 5567 DR1642 TTDRUGID D0I8FV DR1642 DFORMULA C22H23F4NO2 DR1642 INCHIKEY GPMXUUPHFNMNDH-UHFFFAOYSA-N DR1642 DRUINCHI 1S/C22H23F4NO2/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26/h1,3-4,6-9,15,29H,2,5,10-14H2 DR1642 CASMILES C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)CCCC(=O)C3=CC=C(C=C3)F DR1642 CAS__NUM CAS 749-13-3 DR1642 CHEBINUM 135662 DR1642 PUBCMSID 223527; 443249; 5664288; 8153423; 10534705; 11111838; 14757579; 17396795;29224606; 48110657; 48416662; 49898313; 50111276; 57322846; 76254799; 85209945; 90340861; 92309312; 103177556; 103977704; 104309605; 124750350; 124881511; 127987556; 134224961; 134339438; 134340647; 134976987; 135709955; 136345614; 136897403; 137144009; 140446711; 162224692; 176484557; 179226165; 198966303; 224017768; 226492421; 250107919 DR1643 DRUG__ID DR1643 DR1643 DRUGNAME Trifluridine DR1643 PUBCMCID 6256 DR1643 TTDRUGID D05RHI DR1643 DFORMULA C10H11F3N2O5 DR1643 INCHIKEY VSQQQLOSPVPRAZ-RRKCRQDMSA-N DR1643 DRUINCHI 1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)/t5-,6+,7+/m0/s1 DR1643 CASMILES C1C(C(OC1N2C=C(C(=O)NC2=O)C(F)(F)F)CO)O DR1643 CAS__NUM CAS 70-00-8 DR1643 CHEBINUM 75179 DR1643 PUBCMSID 626314; 7847457; 7980831; 8139891; 8153936; 12014784; 12149237; 14751529; 14849367; 24900027; 29225252; 46506192; 50054714; 56422883; 57323294; 77174799; 87560183; 93815015; 103321204; 104023317; 104253375; 104311541; 118048237; 124757493; 124800643; 125164297; 126667216; 129521334; 131404691; 134223275; 134338045; 134971818; 135681084; 135692274; 136369804; 137000771; 137005241; 137213977; 144205964; 152058901; 160963778; 163835390; 170464911; 172092201; 172919625; 174483143; 175266936; 175612130; 176484794; 179116934 DR1645 DRUG__ID DR1645 DR1645 DRUGNAME Trilostane DR1645 PUBCMCID 656583 DR1645 TTDRUGID D03XOC DR1645 DFORMULA C20H27NO3 DR1645 INCHIKEY KVJXBPDAXMEYOA-CXANFOAXSA-N DR1645 DRUINCHI 1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-15,17,22-23H,3-9H2,1-2H3/t12-,13-,14-,15-,17+,18-,19+,20+/m0/s1 DR1645 CASMILES CC12CCC3C(C1CCC2O)CCC45C3(CC(=C(C4O5)O)C#N)C DR1645 CAS__NUM CAS 13647-35-3 DR1645 CHEBINUM 32260 DR1645 PUBCMSID 582970; 7848243; 9268061; 14753126; 14850960; 46507062; 48416665; 53789389; 56352900; 57408348; 77191778; 92716671; 99437135; 103770890; 113527831; 124757227; 125164031; 126591224; 126622687; 126654263; 127324070; 127324071; 127324072; 127324073; 127324074; 134337470; 134990249; 135692137; 136946482; 137005257; 143492476; 144206007; 144212723; 152103462; 152164604; 152242918; 160964442; 162170394; 163138502; 164194095; 165702349; 170465836; 175265964; 176262060; 176484985; 178103456; 179149866; 196105623; 210275073; 210280711 DR1646 DRUG__ID DR1646 DR1646 DRUGNAME Trimebutine DR1646 PUBCMCID 5573 DR1646 TTDRUGID D0E0CT DR1646 DFORMULA C22H29NO5 DR1646 INCHIKEY LORDFXWUHHSAQU-UHFFFAOYSA-N DR1646 DRUINCHI 1S/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3 DR1646 CASMILES CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C DR1646 CAS__NUM CAS 39133-31-8 DR1646 CHEBINUM 94458 DR1647 DRUG__ID DR1647 DR1647 DRUGNAME Trimethadione DR1647 PUBCMCID 5576 DR1647 TTDRUGID D0U4VT DR1647 DFORMULA C6H9NO3 DR1647 INCHIKEY IRYJRGCIQBGHIV-UHFFFAOYSA-N DR1647 DRUINCHI 1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3 DR1647 CASMILES CC1(C(=O)N(C(=O)O1)C)C DR1647 CAS__NUM CAS 127-48-0 DR1647 CHEBINUM 9727 DR1647 PUBCMSID 79578; 442280; 3140648; 4752043; 7847458; 8153431; 10321761; 10506232; 11112276; 11466543; 11467663; 11486126; 12075302; 14793827; 24899914; 29224614; 46504478; 47515477; 47589147; 47810920; 48334662; 48414586; 48416668; 49640650; 49698533; 49857709; 50100405; 50451607; 57322853; 57654646; 87688533; 92125435; 92307900; 92729771; 103193092; 103914246; 104309629; 117476493; 118232715; 121363106; 124801142; 124882159; 125563380; 126562866; 127307220; 127307221; 127307222; 127307223; 127307224; 127307225 DR1648 DRUG__ID DR1648 DR1648 DRUGNAME Trimethoprim DR1648 PUBCMCID 5578 DR1648 TTDRUGID D0AO5H DR1648 DFORMULA C14H18N4O3 DR1648 INCHIKEY IEDVJHCEMCRBQM-UHFFFAOYSA-N DR1648 DRUINCHI 1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) DR1648 CASMILES COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N DR1648 CAS__NUM CAS 738-70-5 DR1648 CHEBINUM 45924 DR1648 PUBCMSID 5066; 406777; 604810; 837167; 857743; 3146445; 4752045; 7847213; 7890832; 7980835; 8027414; 8149571; 8153433; 10321479; 10534335; 11111923; 11111924; 11113621; 11335764; 11361003; 11363061; 11365623; 11368185; 11371565; 11374002; 11376347; 11461975; 11466236; 11467356; 11484610; 11485852; 11488753; 11490459; 11492187; 11493981; 14824824; 17389524; 17405825; 22391545; 24278201; 24870616; 24889615; 25623645; 26611964; 26680042; 26697109; 26704777; 26747124; 26747125; 26751820 DR1649 DRUG__ID DR1649 DR1649 DRUGNAME Trimipramine DR1649 PUBCMCID 5584 DR1649 TTDRUGID D00HZV DR1649 DFORMULA C20H26N2 DR1649 INCHIKEY ZSCDBOWYZJWBIY-UHFFFAOYSA-N DR1649 DRUINCHI 1S/C20H26N2/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22/h4-11,16H,12-15H2,1-3H3 DR1649 CASMILES CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)CN(C)C DR1649 CAS__NUM CAS 739-71-9 DR1649 CHEBINUM 9738 DR1649 PUBCMSID 4752050; 7847460; 7980837; 8153438; 10534352; 11335268; 11360507; 11364316; 11366878; 11369440; 11372300; 11374257; 11377602; 11461479; 11466834; 11467954; 11485056; 11486328; 11489346; 11490966; 11492574; 11495236; 14751475; 29214834; 29224622; 46507121; 47216629; 47365025; 47515163; 47588839; 47810599; 47959573; 48034950; 48259062; 48334324; 48416674; 49698932; 49761600; 49961515; 49961516; 49961517; 50111256; 57322857; 78776395; 85209670; 85789363; 90341093; 92714629; 92729770; 103189045 DR1650 DRUG__ID DR1650 DR1650 DRUGNAME Z-4828 DR1650 PUBCMCID 65702 DR1650 TTDRUGID D0Y1UC DR1650 DFORMULA C9H18Cl3N2O2P DR1650 INCHIKEY UMKFEPPTGMDVMI-UHFFFAOYSA-N DR1650 DRUINCHI 1S/C9H18Cl3N2O2P/c10-2-6-13-5-1-9-16-17(13,15)14(7-3-11)8-4-12/h1-9H2 DR1650 CASMILES ClCCN(CCCl)P1(=O)OCCCN1CCCl DR1650 CAS__NUM CAS 22089-22-1 DR1650 CHEBINUM 135381 DR1651 DRUG__ID DR1651 DR1651 DRUGNAME Troglitazone DR1651 PUBCMCID 5591 DR1651 TTDRUGID D06XZW DR1651 DFORMULA C24H27NO5S DR1651 INCHIKEY GXPHKUHSUJUWKP-UHFFFAOYSA-N DR1651 DRUINCHI 1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28) DR1651 CASMILES CC1=C(C2=C(CCC(O2)(C)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4)C(=C1O)C)C DR1651 CAS__NUM CAS 97322-87-7 DR1651 CHEBINUM 9753 DR1651 PUBCMSID 841060; 4894294; 7847461; 7980843; 8153443; 11533348; 12013560; 14905963; 22391425; 24724629; 26681461; 26755242; 26755243; 26757864; 26759664; 29216382; 29224629; 46487963; 46504655; 47365443; 47811013; 48035383; 48416678; 50052241; 53788686; 56311256; 56312004; 56313972; 56313996; 57288866; 57322861; 74940595; 85246179; 85257254; 85787118; 91011836; 92307894; 92308758; 103164301; 103853949; 104309674; 104829539; 119526104; 124892345; 124892346; 124892347; 124892348; 125334732; 126647230; 126683373 DR1652 DRUG__ID DR1652 DR1652 DRUGNAME Troleandomycin DR1652 PUBCMCID 17675 DR1652 TTDRUGID D06IGU DR1652 DFORMULA C41H67NO15 DR1652 INCHIKEY LQCLVBQBTUVCEQ-GSELTXNRSA-N DR1652 DRUINCHI 1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20+,21-,22+,23+,24+,25+,26-,30-,31-,32-,33-,34+,35-,36-,37+,40-,41+/m0/s1 DR1652 CASMILES CC1CC(C(C(O1)OC2C(CC3(CO3)C(=O)C(C(C(C(OC(=O)C(C(C2C)OC4CC(C(C(O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)N(C)C DR1652 CAS__NUM CAS 2751-09-9 DR1652 PUBCMSID 10321565; 10584900; 49999285; 57329847; 80395117; 104343058; 124766284; 135269994; 163138548; 179214401; 252401998 DR1653 DRUG__ID DR1653 DR1653 DRUGNAME Tropisetron DR1653 PUBCMCID 656665 DR1653 TTDRUGID D0K0KH DR1653 DFORMULA C17H20N2O2 DR1653 INCHIKEY ZNRGQMMCGHDTEI-FUNVUKJBSA-N DR1653 DRUINCHI 1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+ DR1653 CASMILES CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43 DR1653 CAS__NUM CAS 89565-68-4 DR1653 CHEBINUM 32269 DR1653 PUBCMSID 586259; 7849191; 7980847; 9268089; 11111839; 12013648; 15222410; 26755041; 32961435; 34873056; 47805530; 48404460; 57288867; 57408379; 78731080; 85176985; 92309072; 104003611; 104234183; 113528005; 124881513; 135651284; 136037819; 136212975; 137248058; 140119381; 140836794; 142488962; 144203823; 152109096; 162177588; 163621151; 163686496; 163719193; 170466432; 176484497; 179316852; 184545081; 184654810; 184812293; 198945704; 223441795; 226408320; 226408321; 226408322; 229923840; 238285228; 242115154; 245129894; 245216191 DR1654 DRUG__ID DR1654 DR1654 DRUGNAME Tyropanoic acid DR1654 PUBCMCID 5611 DR1654 DFORMULA C15H18I3NO3 DR1654 INCHIKEY YMOXVLQZFAUUKI-UHFFFAOYSA-N DR1654 DRUINCHI 1S/C15H18I3NO3/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22) DR1654 CASMILES CCCC(=O)NC1=C(C=C(C(=C1I)CC(CC)C(=O)O)I)I DR1654 CAS__NUM CAS 27293-82-9 DR1654 CHEBINUM 135862 DR1655 DRUG__ID DR1655 DR1655 DRUGNAME CoQ-10 DR1655 PUBCMCID 5281915 DR1655 TTDRUGID D0OT1A DR1655 DFORMULA C59H90O4 DR1655 INCHIKEY ACTIUHUUMQJHFO-UPTCCGCDSA-N DR1655 DRUINCHI 1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+ DR1655 CASMILES CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C DR1655 CAS__NUM CAS 303-98-0 DR1655 CHEBINUM 46245 DR1656 DRUG__ID DR1656 DR1656 DRUGNAME DA-8159 DR1656 PUBCMCID 135413547 DR1656 TTDRUGID D01GUS DR1656 DFORMULA C25H36N6O4S DR1656 INCHIKEY IYFNEFQTYQPVOC-UHFFFAOYSA-N DR1656 DRUINCHI 1S/C25H36N6O4S/c1-5-8-20-22-23(31(4)29-20)25(32)28-24(27-22)19-16-18(10-11-21(19)35-15-6-2)36(33,34)26-13-12-17-9-7-14-30(17)3/h10-11,16-17,26H,5-9,12-15H2,1-4H3,(H,27,28,32) DR1656 CASMILES CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)NCCC4CCCN4C)OCCC)C DR1656 CAS__NUM CAS 268203-93-6 DR1656 CHEBINUM 135926 DR1657 DRUG__ID DR1657 DR1657 DRUGNAME Ulipristal DR1657 PUBCMCID 13559281 DR1657 TTDRUGID D0V4WD DR1657 DFORMULA C28H35NO3 DR1657 INCHIKEY HKDLNTKNLJPAIY-WKWWZUSTSA-N DR1657 DRUINCHI 1S/C28H35NO3/c1-17(30)28(32)14-13-25-23-11-7-19-15-21(31)10-12-22(19)26(23)24(16-27(25,28)2)18-5-8-20(9-6-18)29(3)4/h5-6,8-9,15,23-25,32H,7,10-14,16H2,1-4H3/t23-,24+,25-,27-,28-/m0/s1 DR1657 CASMILES CC(=O)C1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O DR1657 CAS__NUM CAS 159811-51-5 DR1657 PUBCMSID 24841789; 28676416; 35849341; 124490307; 135271930; 160687014; 164235293; 165245594; 172919799; 175266288; 198993968; 223435395; 226854508; 252228535; 252432863; 252473760 DR1659 DRUG__ID DR1659 DR1659 DRUGNAME Umeclidinium bromide DR1659 PUBCMCID 11519069 DR1659 TTDRUGID D09ZOQ DR1659 DFORMULA C29H34BrNO2 DR1659 INCHIKEY PEJHHXHHNGORMP-UHFFFAOYSA-M DR1659 DRUINCHI 1S/C29H34NO2.BrH/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25;/h1-15,31H,16-24H2;1H/q+1;/p-1 DR1659 CASMILES C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCOCC5=CC=CC=C5.[Br-] DR1659 CAS__NUM CAS 869113-09-7 DR1659 CHEBINUM 79040 DR1659 PUBCMSID 16620993; 23647045; 78281170; 103632654; 135268597; 135626899; 152258395; 160647232; 172919802; 198936820; 206261465; 223404381; 223444255; 226483530; 252221243 DR1660 DRUG__ID DR1660 DR1660 DRUGNAME Upadacitinib DR1660 PUBCMCID 58557659 DR1660 DFORMULA C17H19F3N6O DR1660 INCHIKEY WYQFJHHDOKWSHR-MNOVXSKESA-N DR1660 DRUINCHI 1S/C17H19F3N6O/c1-2-10-7-25(16(27)24-9-17(18,19)20)8-11(10)13-5-22-14-6-23-15-12(26(13)14)3-4-21-15/h3-6,10-11,21H,2,7-9H2,1H3,(H,24,27)/t10-,11+/m1/s1 DR1660 CASMILES CCC1CN(CC1C2=CN=C3N2C4=C(NC=C4)N=C3)C(=O)NCC(F)(F)F DR1660 CAS__NUM CAS 1310726-60-3 DR1663 DRUG__ID DR1663 DR1663 DRUGNAME Urethane DR1663 PUBCMCID 5641 DR1663 DFORMULA C3H7NO2 DR1663 INCHIKEY JOYRKODLDBILNP-UHFFFAOYSA-N DR1663 DRUINCHI 1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5) DR1663 CASMILES CCOC(=O)N DR1663 CAS__NUM CAS 51-79-6 DR1663 CHEBINUM 17967 DR1664 DRUG__ID DR1664 DR1664 DRUGNAME ASA-404 DR1664 PUBCMCID 123964 DR1664 TTDRUGID D08UOY DR1664 DFORMULA C17H14O4 DR1664 INCHIKEY XGOYIMQSIKSOBS-UHFFFAOYSA-N DR1664 DRUINCHI 1S/C17H14O4/c1-9-6-7-13-15(20)12-5-3-4-11(8-14(18)19)17(12)21-16(13)10(9)2/h3-7H,8H2,1-2H3,(H,18,19) DR1664 CASMILES CC1=C(C2=C(C=C1)C(=O)C3=CC=CC(=C3O2)CC(=O)O)C DR1664 CAS__NUM CAS 117570-53-3 DR1664 CHEBINUM 75934 DR1665 DRUG__ID DR1665 DR1665 DRUGNAME Valbenazine DR1665 PUBCMCID 24795069 DR1665 TTDRUGID D0IX1I DR1665 DFORMULA C24H38N2O4 DR1665 INCHIKEY GEJDGVNQKABXKG-CFKGEZKQSA-N DR1665 DRUINCHI 1S/C24H38N2O4/c1-14(2)9-17-13-26-8-7-16-10-21(28-5)22(29-6)11-18(16)19(26)12-20(17)30-24(27)23(25)15(3)4/h10-11,14-15,17,19-20,23H,7-9,12-13,25H2,1-6H3/t17-,19-,20-,23+/m1/s1 DR1665 CASMILES CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1OC(=O)C(C(C)C)N)OC)OC DR1665 CAS__NUM CAS 1025504-45-3 DR1665 PUBCMSID 49738821; 57114321; 163370736; 164133227; 198945028; 224577868; 240859006; 246330347; 252166894 DR1666 DRUG__ID DR1666 DR1666 DRUGNAME Valdecoxib DR1666 PUBCMCID 119607 DR1666 TTDRUGID D0L6DA DR1666 DFORMULA C16H14N2O3S DR1666 INCHIKEY LNPDTQAFDNKSHK-UHFFFAOYSA-N DR1666 DRUINCHI 1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20) DR1666 CASMILES CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N DR1666 CAS__NUM CAS 181695-72-7 DR1666 CHEBINUM 63634 DR1666 PUBCMSID 587378; 841634; 7300492; 7979620; 10238560; 11364641; 11367203; 11369765; 11372040;11374755; 11377927; 11484171; 11488324; 11490816; 11492943; 11495561; 11528781; 11538199; 12015079; 14850214; 17137106; 17396876; 26612701; 26680171; 26719834; 26748964; 26748965; 29300443; 46386621;46393843; 46506229; 46513481; 47885663; 48110737; 49665731; 49666068; 49681792; 50107497; 53789038; 57339580; 57578333; 58107175; 75154431; 85789263; 88531863; 92124765; 92308537; 92714410; 99444047;103225393 DR1667 DRUG__ID DR1667 DR1667 DRUGNAME Valproic acid DR1667 PUBCMCID 3121 DR1667 TTDRUGID D0Y3KG DR1667 DFORMULA C8H16O2 DR1667 INCHIKEY NIJJYAXOARWZEE-UHFFFAOYSA-N DR1667 DRUINCHI 1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) DR1667 CASMILES CCCC(CCC)C(=O)O DR1667 CAS__NUM CAS 76584-70-8 DR1667 CHEBINUM 39867 DR1667 PUBCMSID 9394; 399407; 621684; 3138784; 4918409; 7847465; 7980632; 8151988; 10539166; 11335448; 11360687; 11363415; 11364691; 11365977; 11367253; 11368539; 11369815; 11372725; 11372856; 11374010; 11375415; 11376701; 11377978; 11461659; 11484648; 11488762; 11491548; 11492191; 11494335; 12015354; 14710660; 15321539; 17389523; 24898751; 26697333; 26752920; 26752921; 29222263; 46260925; 46505925; 48416692; 48424277; 48425730; 49635685; 49640649; 49856166; 50062089; 50105536; 53788878; 56310655 DR1668 DRUG__ID DR1668 DR1668 DRUGNAME Valsartan DR1668 PUBCMCID 60846 DR1668 TTDRUGID D06UDG DR1668 DFORMULA C24H29N5O3 DR1668 INCHIKEY ACWBQPMHZXGDFX-QFIPXVFZSA-N DR1668 DRUINCHI 1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1 DR1668 CASMILES CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O DR1668 CAS__NUM CAS 137862-53-4 DR1668 CHEBINUM 9927 DR1668 PUBCMSID 7847466; 11066615; 11364700; 11367262; 11369824; 11373100; 11374217; 11377988; 11484996; 11488936; 11491646; 11492564; 11495610; 14856825; 14881173; 26612829; 26719825; 43118184; 46386599; 46509000; 46530915; 47499543; 48393917; 49681716; 49830875; 50062253; 50467452; 53787275; 57314146; 81093312; 85788951; 90452226; 92124805; 92308052; 92308462; 92711441; 93166503; 99228303; 103292815; 103979540; 104253413; 104321799; 117541337; 117664453; 119526522; 123055291; 124659015; 124757534; 124800101; 125164338 DR1669 DRUG__ID DR1669 DR1669 DRUGNAME Vandetanib DR1669 PUBCMCID 3081361 DR1669 TTDRUGID D0G6QF DR1669 DFORMULA C22H24BrFN4O2 DR1669 INCHIKEY UHTHHESEBZOYNR-UHFFFAOYSA-N DR1669 DRUINCHI 1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27) DR1669 CASMILES CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC DR1669 CAS__NUM CAS 443913-73-3 DR1669 CHEBINUM 49960 DR1669 PUBCMSID 8030012; 8034317; 9471114; 12015522; 14716916; 14761077; 36412170; 46394288; 47208064; 49742597; 50068212; 50100123; 50112766; 50599279; 53789193; 57354678; 85246147; 91147360; 92721418; 93309619; 93581029; 93692935; 99436956; 99445235; 103194628; 103905338; 111682639; 123110212; 124756961; 124772087; 124893337; 124893338; 125163767; 125350704; 126619162; 126651857; 126661732; 126731545; 127330006; 127330007; 131333378; 131408693; 134339002; 134964431; 135228305; 135685324; 135685325; 135685344; 135697656; 135727395 DR1670 DRUG__ID DR1670 DR1670 DRUGNAME GBR-12909 DR1670 PUBCMCID 3455 DR1670 TTDRUGID D0N2HF DR1670 DFORMULA C28H32F2N2O DR1670 INCHIKEY NAUWTFJOPJWYOT-UHFFFAOYSA-N DR1670 DRUINCHI 1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2 DR1670 CASMILES C1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F DR1670 CAS__NUM CAS 67469-78-7 DR1670 CHEBINUM 64089 DR1670 PUBCMSID 5006229; 8152197; 11111021; 11111022; 11113492; 11342171; 11362354; 11442527; 11466414; 11467534; 11486228; 11487756; 14759906; 26751714; 29222589; 47216990; 47515534; 47662513; 47885608; 47959976; 48110671; 48259460; 49698963; 49845980; 50070741; 50104404; 77174993; 85788343; 85788835; 90341225; 96099924; 103186824; 104303566; 108136182; 124749722; 124879806; 124879807; 124879808; 126407620; 128675645; 135026679; 135610891; 136367736; 137010568; 143156033; 170485711; 179150910; 198985300; 210274834; 210280466 DR1673 DRUG__ID DR1673 DR1673 DRUGNAME Vardenafil hydrochloride DR1673 PUBCMCID 135438569 DR1673 TTDRUGID D0C9SY DR1673 DFORMULA C23H33ClN6O4S DR1673 INCHIKEY XCMULUAPJXCOHI-UHFFFAOYSA-N DR1673 DRUINCHI 1S/C23H32N6O4S.ClH/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28;/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30);1H DR1673 CASMILES CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C.Cl DR1673 CAS__NUM CAS 224789-15-5 DR1676 DRUG__ID DR1676 DR1676 DRUGNAME Velpatasvir DR1676 PUBCMCID 67683363 DR1676 DFORMULA C49H54N8O8 DR1676 INCHIKEY FHCUMDQMBHQXKK-CDIODLITSA-N DR1676 DRUINCHI 1S/C49H54N8O8/c1-26(2)41(54-48(60)63-5)47(59)57-27(3)12-17-38(57)45-51-36-16-14-30-20-35-33-15-13-31(19-32(33)25-65-40(35)21-34(30)43(36)53-45)37-22-50-44(52-37)39-18-28(24-62-4)23-56(39)46(58)42(55-49(61)64-6)29-10-8-7-9-11-29/h7-11,13-16,19-22,26-28,38-39,41-42H,12,17-18,23-25H2,1-6H3,(H,50,52)(H,51,53)(H,54,60)(H,55,61)/t27-,28-,38-,39-,41-,42+/m0/s1 DR1676 CASMILES CC1CCC(N1C(=O)C(C(C)C)NC(=O)OC)C2=NC3=C(N2)C=CC4=CC5=C(C=C43)OCC6=C5C=CC(=C6)C7=CN=C(N7)C8CC(CN8C(=O)C(C9=CC=CC=C9)NC(=O)OC)COC DR1676 CAS__NUM CAS 1377049-84-7 DR1676 CHEBINUM 133009 DR1677 DRUG__ID DR1677 DR1677 DRUGNAME Vemurafenib DR1677 PUBCMCID 42611257 DR1677 TTDRUGID D0Y9EW DR1677 DFORMULA C23H18ClF2N3O3S DR1677 INCHIKEY GPXBXXGIAQBQNI-UHFFFAOYSA-N DR1677 DRUINCHI 1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28) DR1677 CASMILES CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F DR1677 CAS__NUM CAS 918504-65-1 DR1677 CHEBINUM 63637 DR1677 PUBCMSID 86450036; 99207986; 99344329; 99436933; 104245715; 123055406; 123393726; 124757131; 125163935; 125240992; 125312523; 125477821; 126731467; 131408691; 131480743; 134213431; 135267495; 135360056; 135611115; 135626717; 135686206; 135686207; 135686222; 135686223; 135727433; 136367377; 136920367; 137241152; 137275900; 138196197; 152258377; 160647214; 160837190; 162011358; 162037528; 162201724; 163098027; 163345507; 163390276; 164041819; 164193918; 164766097; 164834160; 165826640; 170483525; 170498105; 172087033; 172914376; 174531480; 175267423 DR1679 DRUG__ID DR1679 DR1679 DRUGNAME Venlafaxine hydrochloride DR1679 PUBCMCID 62923 DR1679 TTDRUGID D0P1UX DR1679 DFORMULA C17H28ClNO2 DR1679 INCHIKEY QYRYFNHXARDNFZ-UHFFFAOYSA-N DR1679 DRUINCHI 1S/C17H27NO2.ClH/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14;/h7-10,16,19H,4-6,11-13H2,1-3H3;1H DR1679 CASMILES CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O.Cl DR1679 CAS__NUM CAS 99300-78-4 DR1679 CHEBINUM 9944 DR1681 DRUG__ID DR1681 DR1681 DRUGNAME Verapamil hydrochloride DR1681 PUBCMCID 62969 DR1681 TTDRUGID D0R0FE DR1681 DFORMULA C27H39ClN2O4 DR1681 INCHIKEY DOQPXTMNIUCOSY-UHFFFAOYSA-N DR1681 DRUINCHI 1S/C27H38N2O4.ClH/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6;/h9-12,17-18,20H,8,13-16H2,1-7H3;1H DR1681 CASMILES CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl DR1681 CAS__NUM CAS 152-11-4 DR1682 DRUG__ID DR1682 DR1682 DRUGNAME RSD-1235 DR1682 PUBCMCID 9930049 DR1682 TTDRUGID D00OTL DR1682 DFORMULA C20H31NO4 DR1682 INCHIKEY VBHQKCBVWWUUKN-KZNAEPCWSA-N DR1682 DRUINCHI 1S/C20H31NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3/t16-,17-,18-/m1/s1 DR1682 CASMILES COC1=C(C=C(C=C1)CCOC2CCCCC2N3CCC(C3)O)OC DR1682 CAS__NUM CAS 794466-70-9 DR1682 CHEBINUM 135956 DR1682 PUBCMSID 16881656; 24205587; 80049932; 135174080; 135312610; 137120555; 139156059; 152258556; 160647391; 162011825; 172919831; 174530732; 180371735; 185998814; 198977082; 226737447; 242550045; 244235562; 252481559 DR1683 DRUG__ID DR1683 DR1683 DRUGNAME SCH-417690 DR1683 PUBCMCID 3009355 DR1683 TTDRUGID D09JLI DR1683 DFORMULA C28H38F3N5O2 DR1683 INCHIKEY CNPVJJQCETWNEU-CYFREDJKSA-N DR1683 DRUINCHI 1S/C28H38F3N5O2/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3/h6-9,18-19,24H,10-17H2,1-5H3/t19-,24-/m0/s1 DR1683 CASMILES CC1CN(CCN1C(COC)C2=CC=C(C=C2)C(F)(F)F)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C DR1683 CAS__NUM CAS 306296-47-9 DR1683 CHEBINUM 94843 DR1683 PUBCMSID 3721308; 10039007; 14812106; 14910081; 24721604; 26683800; 36057949; 57410207; 79245438; 103281592; 104034374; 111626818; 124894046; 126680705; 134338931; 135246808; 135263560; 135651306; 137006541; 142059632; 162224427; 162833826; 176484882; 198947606; 210024060; 223667367; 226490736; 248870366 DR1684 DRUG__ID DR1684 DR1684 DRUGNAME Vilanterol DR1684 PUBCMCID 10184665 DR1684 TTDRUGID D0L0GM DR1684 DFORMULA C24H33Cl2NO5 DR1684 INCHIKEY DAFYYTQWSAWIGS-DEOSSOPVSA-N DR1684 DRUINCHI 1S/C24H33Cl2NO5/c25-21-6-5-7-22(26)20(21)17-32-13-12-31-11-4-2-1-3-10-27-15-24(30)18-8-9-23(29)19(14-18)16-28/h5-9,14,24,27-30H,1-4,10-13,15-17H2/t24-/m0/s1 DR1684 CASMILES C1=CC(=C(C(=C1)Cl)COCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O)Cl DR1684 CAS__NUM CAS 503068-34-6 DR1684 CHEBINUM 75037 DR1684 PUBCMSID 15180153; 22579535; 40274235; 80028218; 124490436; 135291438; 137063375; 160677153; 163365084; 163835568; 175268108; 178103925; 210275079; 210280717; 223936788; 226509475; 242700176; 250184675; 251963097; 252224058 DR1687 DRUG__ID DR1687 DR1687 DRUGNAME Vilazodone hydrochloride DR1687 PUBCMCID 6918313 DR1687 TTDRUGID D0X6BV DR1687 DFORMULA C26H28ClN5O2 DR1687 INCHIKEY RPZBRGFNBNQSOP-UHFFFAOYSA-N DR1687 DRUINCHI 1S/C26H27N5O2.ClH/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32;/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32);1H DR1687 CASMILES C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N.Cl DR1687 CAS__NUM CAS 163521-08-2 DR1687 CHEBINUM 70705 DR1689 DRUG__ID DR1689 DR1689 DRUGNAME Vinblastine sulfate DR1689 PUBCMCID 241902 DR1689 TTDRUGID D0W9MM DR1689 DFORMULA C46H60N4O13S DR1689 INCHIKEY KDQAABAKXDWYSZ-JKDPCDLQSA-N DR1689 DRUINCHI 1S/C46H58N4O9.H2O4S/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1 DR1689 CASMILES CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O DR1689 CAS__NUM CAS 143-67-9 DR1689 CHEBINUM 9984 DR1690 DRUG__ID DR1690 DR1690 DRUGNAME Vincamine DR1690 PUBCMCID 15376 DR1690 TTDRUGID D08UGJ DR1690 DFORMULA C21H26N2O3 DR1690 INCHIKEY RXPRRQLKFXBCSJ-GIVPXCGWSA-N DR1690 DRUINCHI 1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20+,21+/m1/s1 DR1690 CASMILES CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(C(=O)OC)O DR1690 CAS__NUM CAS 1617-90-9 DR1690 CHEBINUM 9985 DR1690 PUBCMSID 11442; 589983; 605104; 3137905; 8161547; 10321482; 11466299; 11467419; 11486097; 14901040; 15928943; 24712294; 24851332; 29204673; 29283340; 47573493; 47646670; 47795170; 48094657; 48243519; 48394062; 48424315; 49698413; 50063094; 50227572; 56463369; 57328977; 81092948; 85789347; 90455313; 92125108; 93619689; 96025360; 103763450; 103913976; 104336990; 121362779; 124812111; 124896567; 126623137; 126648205; 134224874; 134979517; 135652725; 136043617; 137006675; 143315335; 144204895; 144212285; 152035890 DR1692 DRUG__ID DR1692 DR1692 DRUGNAME Vincristine sulfate DR1692 PUBCMCID 249332 DR1692 TTDRUGID D09QVV DR1692 DFORMULA C46H58N4O14S DR1692 INCHIKEY AQTQHPDCURKLKT-JKDPCDLQSA-N DR1692 DRUINCHI 1S/C46H56N4O10.H2O4S/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;1-5(2,3)4/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1 DR1692 CASMILES CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O DR1692 CAS__NUM CAS 2068-78-2 DR1692 CHEBINUM 79401 DR1693 DRUG__ID DR1693 DR1693 DRUGNAME Lilly-112531 DR1693 PUBCMCID 40839 DR1693 TTDRUGID D04RLY DR1693 DFORMULA C43H55N5O7 DR1693 INCHIKEY HHJUWIANJFBDHT-KOTLKJBCSA-N DR1693 DRUINCHI 1S/C43H55N5O7/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50)/t25-,34+,35-,36-,39+,40-,41-,42+,43+/m1/s1 DR1693 CASMILES CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)N)O)O)CC)OC)C(=O)OC)O DR1693 CAS__NUM CAS 59917-39-4 DR1693 CHEBINUM 32295 DR1693 PUBCMSID 7980884; 8176819; 14937951; 24712319; 34706568; 46504548; 47207961; 48416698; 50063064; 53788169; 57312475; 77478141; 92309091; 102853537; 103504328; 104335455; 126686646; 127301247; 127301248; 127301249; 127301250; 127301251; 127301252; 127301253; 127301254; 127301255; 127301256; 127301257; 127301258; 127301259; 127301260; 127301261; 127301262; 127301263; 127301264; 127301265; 127301266; 127301267; 127301268; 127301269; 127301270; 127301271; 127301272; 127301273; 127301274; 127301275; 127301276; 127301277; 127301278; 134338223 DR1696 DRUG__ID DR1696 DR1696 DRUGNAME Vinorelbine tartrate DR1696 PUBCMCID 45055483 DR1696 TTDRUGID D01HTL DR1696 DFORMULA C53H66N4O20 DR1696 INCHIKEY CILBMBUYJCWATM-LNLXBTRNSA-N DR1696 DRUINCHI 1S/C45H54N4O8.2C4H6O6/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7;2*5-1(3(7)8)2(6)4(9)10/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3;2*1-2,5-6H,(H,7,8)(H,9,10)/t28-,37+,38-,39-,42-,43-,44+,45+;2*1-,2-/m111/s1 DR1696 CASMILES CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC.C(C(C(=O)O)O)(C(=O)O)O.C(C(C(=O)O)O)(C(=O)O)O DR1696 CAS__NUM CAS 125317-39-7 DR1697 DRUG__ID DR1697 DR1697 DRUGNAME AY-27,255 DR1697 PUBCMCID 443955 DR1697 TTDRUGID D06BCB DR1697 DFORMULA C22H26N2O2 DR1697 INCHIKEY DDNCQMVWWZOMLN-IRLDBZIGSA-N DR1697 DRUINCHI 1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1 DR1697 CASMILES CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OCC DR1697 CAS__NUM CAS 42971-09-5 DR1697 CHEBINUM 32297 DR1697 PUBCMSID 855619; 3727081; 7848434; 7980299; 10299443; 10321872; 11341598; 11361781; 11364294; 11366856; 11369418; 11371881;11374568; 11377580; 11466296; 11467416; 11485054; 11486071; 11487183; 11489345; 11490776; 11492889; 11495214; 14802886; 14925387; 17405811; 24278182; 26612408; 26680355; 26759739; 36887098; 47216903;47365339; 47440398; 47810892; 47959906; 48334637; 48334638; 48416699; 48483328; 49698412; 49964760; 50103960; 50103961; 50103962; 50103963; 50113284; 53778363; 53790458; 56424092 DR1698 DRUG__ID DR1698 DR1698 DRUGNAME Vismodegib DR1698 PUBCMCID 24776445 DR1698 TTDRUGID D03EDQ DR1698 DFORMULA C19H14Cl2N2O3S DR1698 INCHIKEY BPQMGSKTAYIVFO-UHFFFAOYSA-N DR1698 DRUINCHI 1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24) DR1698 CASMILES CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl DR1698 CAS__NUM CAS 879085-55-9 DR1698 CHEBINUM 66903 DR1698 PUBCMSID 49701104; 56182549; 99431642; 99436972; 103596069; 104103799; 124756985; 124950698; 125163790; 126582948; 126723724; 131408297; 131480672; 134221782; 134964405; 135261181; 135264774; 135626713; 135693359; 135727390; 136367283; 136367935; 136920328; 137209785; 137275857; 139063406; 143499146; 144074933; 144116004; 152105953; 152237711; 152258215; 152344224; 160645549; 160647051; 160828460; 162011920; 162037423; 162201437; 163093562; 163390565; 164041956; 164193932; 164766132; 167250332; 170498924; 172919842; 174531169; 175265446; 175427109 DR1699 DRUG__ID DR1699 DR1699 DRUGNAME NSC-122758 DR1699 PUBCMCID 445354 DR1699 TTDRUGID D0S7WX DR1699 DFORMULA C20H30O DR1699 INCHIKEY FPIPGXGPPPQFEQ-OVSJKPMPSA-N DR1699 DRUINCHI 1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ DR1699 CASMILES CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C DR1699 CAS__NUM CAS 11103-57-4 DR1699 CHEBINUM 17336 DR1699 PUBCMSID 3756; 416404; 603541; 821173; 824333; 826984; 838308; 842011; 3138738; 7890334; 8144182; 8149779; 10299682; 10532643; 11528329; 11537746; 12146301; 14714468; 14799924; 17389530; 24697570; 24890099; 24890100; 24899395; 26612235; 26680020; 26709666; 26710635; 26747393; 26747394; 26753109; 26753110; 36888084; 46393062; 46508191; 47193665; 47193688; 47208199; 47217041; 47217042; 47291361; 47440523; 48416515; 48422815; 48425698; 48484015; 50105638; 53788786; 56374000; 57404676 DR1700 DRUG__ID DR1700 DR1700 DRUGNAME Vitamin D DR1700 PUBCMCID 5280795 DR1700 DFORMULA C27H44O DR1700 INCHIKEY QYSXJUFSXHHAJI-YRZJJWOYSA-N DR1700 DRUINCHI 1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1 DR1700 CASMILES CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C DR1700 CAS__NUM CAS 67-97-0 DR1700 CHEBINUM 28940 DR1701 DRUG__ID DR1701 DR1701 DRUGNAME LS-248 DR1701 PUBCMCID 6560141 DR1701 TTDRUGID D02TQO DR1701 DFORMULA C29H50O2 DR1701 INCHIKEY GVJHHUAWPYXKBD-IHMCZWCLSA-N DR1701 DRUINCHI 1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1 DR1701 CASMILES CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C DR1701 CAS__NUM CAS 1406-18-4 DR1702 DRUG__ID DR1702 DR1702 DRUGNAME Vitamin K DR1702 PUBCMCID 5280483 DR1702 TTDRUGID D07QPA DR1702 DFORMULA C31H46O2 DR1702 INCHIKEY MBWXNTAXLNYFJB-LKUDQCMESA-N DR1702 DRUINCHI 1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+ DR1702 CASMILES CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C DR1702 CAS__NUM CAS 12001-79-5 DR1702 CHEBINUM 28384 DR1702 PUBCMSID 5148; 570425; 646623; 7847216; 8616290; 10536482; 10536899; 14784162; 29215362; 39289590; 48498323; 49995626; 53787905; 56365821; 57260129; 57260130; 57357755; 57390757; 80851796; 83584131; 87574801; 88828962; 103120368; 113853339; 117586800; 124576737; 124800047; 124897843; 126524869; 134338510; 134972505; 135078748; 135234658; 135263933; 137142313; 137240036; 139059465; 162090649; 179093928; 179226024; 184545593; 184551948; 241203223; 242084697; 250130715; 251871784 DR1705 DRUG__ID DR1705 DR1705 DRUGNAME Vonoprazan DR1705 PUBCMCID 15981397 DR1705 DFORMULA C17H16FN3O2S DR1705 INCHIKEY BFDBKMOZYNOTPK-UHFFFAOYSA-N DR1705 DRUINCHI 1S/C17H16FN3O2S/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14/h2-9,11-12,19H,10H2,1H3 DR1705 CASMILES CNCC1=CN(C(=C1)C2=CC=CC=C2F)S(=O)(=O)C3=CN=CC=C3 DR1705 CAS__NUM CAS 881681-00-1 DR1705 CHEBINUM 136048 DR1708 DRUG__ID DR1708 DR1708 DRUGNAME Vorapaxar sulfate DR1708 PUBCMCID 10077129 DR1708 TTDRUGID D0VA0I DR1708 DFORMULA C29H35FN2O8S DR1708 INCHIKEY NQRYCIGCIAWEIC-CKLVGUEFSA-N DR1708 DRUINCHI 1S/C29H33FN2O4.H2O4S/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18;1-5(2,3)4/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34);(H2,1,2,3,4)/b12-9+;/t17-,20+,23-,24-,25+,26-,27+;/m1./s1 DR1708 CASMILES CCOC(=O)NC1CCC2C(C1)CC3C(C2C=CC4=NC=C(C=C4)C5=CC(=CC=C5)F)C(OC3=O)C.OS(=O)(=O)O DR1708 CAS__NUM CAS 705260-08-8 DR1708 CHEBINUM 83314 DR1709 DRUG__ID DR1709 DR1709 DRUGNAME Voriconazole DR1709 PUBCMCID 71616 DR1709 TTDRUGID D0N3VR DR1709 DFORMULA C16H14F3N5O DR1709 INCHIKEY BCEHBSKCWLPMDN-MGPLVRAMSA-N DR1709 DRUINCHI 1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1 DR1709 CASMILES CC(C1=NC=NC=C1F)C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O DR1709 CAS__NUM CAS 137234-62-9 DR1709 CHEBINUM 10023 DR1709 PUBCMSID 9824; 618929; 7847644; 8194731; 12014673; 14754154; 14900759; 26719857; 43127923; 46386721; 46506421; 49681678; 49830865; 50065685; 53790739; 57318277; 58107314; 79258320; 92308499; 92712543; 93165418; 99437153; 103042056; 103188976; 104350892; 109692905; 117510444; 118048601; 121361066; 124658937; 124757251; 124766492; 125083219; 125164055; 126592905; 126625471; 126656629; 126670609; 127494461; 134338507; 135029377; 136340251; 136367733; 137006421; 140298163; 144076218; 144205794; 152164501; 160870955; 160963927 DR1710 DRUG__ID DR1710 DR1710 DRUGNAME Vorinostat DR1710 PUBCMCID 5311 DR1710 TTDRUGID D0E7PQ DR1710 DFORMULA C14H20N2O3 DR1710 INCHIKEY WAEXFXRVDQXREF-UHFFFAOYSA-N DR1710 DRUINCHI 1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) DR1710 CASMILES C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO DR1710 CAS__NUM CAS 149647-78-9 DR1710 CHEBINUM 45716 DR1710 PUBCMSID 830547; 832844; 5620782; 7890463; 8153256; 12015019; 14710657; 14823867; 26684150; 29224365; 46393757; 46508989; 46519184; 47207977; 48426290; 49645508; 50070170; 50070537; 50071316; 50113029; 53788318; 56311712; 56312417; 56312644; 56314569; 57322702; 68530763; 75748492; 85736432; 87226482; 92708291; 92719823; 99350949; 99436957; 103174146; 104170365; 104171411; 104308873; 118048589; 121362164; 124756962; 124766849; 124795966; 124893441; 124893442; 125163768; 125335517; 126591282; 126628079; 126649066 DR1712 DRUG__ID DR1712 DR1712 DRUGNAME Vortioxetine hydrobromide DR1712 PUBCMCID 56843850 DR1712 TTDRUGID D03WEX DR1712 DFORMULA C18H23BrN2S DR1712 INCHIKEY VNGRUFUIHGGOOM-UHFFFAOYSA-N DR1712 DRUINCHI 1S/C18H22N2S.BrH/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20;/h3-8,13,19H,9-12H2,1-2H3;1H DR1712 CASMILES CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C.Br DR1712 CAS__NUM CAS 960203-27-4 DR1712 CHEBINUM 76015 DR1713 DRUG__ID DR1713 DR1713 DRUGNAME Voxelotor DR1713 PUBCMCID 71602803 DR1713 TTDRUGID D09RII DR1713 DFORMULA C19H19N3O3 DR1713 INCHIKEY FWCVZAQENIZVMY-UHFFFAOYSA-N DR1713 DRUINCHI 1S/C19H19N3O3/c1-13(2)22-16(8-10-21-22)19-14(5-4-9-20-19)12-25-18-7-3-6-17(24)15(18)11-23/h3-11,13,24H,12H2,1-2H3 DR1713 CASMILES CC(C)N1C(=CC=N1)C2=C(C=CC=N2)COC3=CC=CC(=C3C=O)O DR1713 CAS__NUM CAS 1446321-46-5 DR1714 DRUG__ID DR1714 DR1714 DRUGNAME Voxilaprevir DR1714 PUBCMCID 89921642 DR1714 DFORMULA C40H52F4N6O9S DR1714 INCHIKEY MZBLZLWXUBZHSL-FZNJKFJKSA-N DR1714 DRUINCHI 1S/C40H52F4N6O9S/c1-7-22-27-19-50(28(22)32(51)48-39(18-23(39)31(41)42)35(53)49-60(55,56)38(5)14-15-38)34(52)30(37(2,3)4)47-36(54)59-26-16-20(26)10-8-9-13-40(43,44)29-33(58-27)46-25-17-21(57-6)11-12-24(25)45-29/h11-12,17,20,22-23,26-28,30-31H,7-10,13-16,18-19H2,1-6H3,(H,47,54)(H,48,51)(H,49,53)/t20-,22-,23+,26-,27+,28+,30-,39-/m1/s1 DR1714 CASMILES CCC1C2CN(C1C(=O)NC3(CC3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O)C(NC(=O)OC5CC5CCCCC(C6=NC7=C(C=C(C=C7)OC)N=C6O2)(F)F)C(C)(C)C DR1714 CAS__NUM CAS 1535212-07-7 DR1717 DRUG__ID DR1717 DR1717 DRUGNAME Warfarin sodium DR1717 PUBCMCID 16204922 DR1717 TTDRUGID D0E3OF DR1717 DFORMULA C19H15NaO4 DR1717 INCHIKEY KYITYFHKDODNCQ-UHFFFAOYSA-M DR1717 DRUINCHI 1S/C25H26F6N2O2.ClH.H2O/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22;;/h2-6,11-13,16,32H,7-10,14-15H2,1H3,(H,33,34);1H;1H2/t16-,22-,23-;;/m1../s1 DR1717 CASMILES CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OCC2(CCC3(CCC(=O)N3)CN2)C4=CC=CC=C4.O.Cl DR1717 CAS__NUM CAS 914462-92-3 DR1717 CHEBINUM 90911 DR1718 DRUG__ID DR1718 DR1718 DRUGNAME WIN 55212-2 DR1718 PUBCMCID 5311501 DR1718 TTDRUGID D0J7RW DR1718 DFORMULA C27H26N2O3 DR1718 INCHIKEY HQVHOQAKMCMIIM-HXUWFJFHSA-N DR1718 DRUINCHI 1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 DR1718 CASMILES CC1=C(C2=C3N1C(COC3=CC=C2)CN4CCOCC4)C(=O)C5=CC=CC6=CC=CC=C65 DR1718 CAS__NUM CAS 131543-22-1 DR1718 CHEBINUM 73295 DR1718 PUBCMSID 7980892; 11056544; 12014569; 14782868; 14929727; 26754855; 26754856; 39341166; 47647616; 48395014; 49681172; 49689353; 50110805; 50110806; 57359506; 77916044; 85787707; 90341664; 92309954; 99300867; 103513296; 124750377; 124881896; 124881897; 124881898; 124881899; 124881900; 124881901; 124881902; 128100013; 134342487; 135651326; 142472540; 162169305; 164766158; 179335180; 223591298; 226490429; 249967380; 252319849 DR1719 DRUG__ID DR1719 DR1719 DRUGNAME Xanthine DR1719 PUBCMCID 1188 DR1719 TTDRUGID D0M3IN DR1719 DFORMULA C5H4N4O2 DR1719 INCHIKEY LRFVTYWOQMYALW-UHFFFAOYSA-N DR1719 DRUINCHI 1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) DR1719 CASMILES C1=NC2=C(N1)C(=O)NC(=O)N2 DR1719 CAS__NUM CAS 69-89-6 DR1719 CHEBINUM 17712 DR1719 PUBCMSID 3286; 3675; 540766; 618939; 640647; 819059; 855329; 3135149; 3293457; 5455854; 6505008; 6533214; 7891115; 8144038; 8151018; 10533229; 11536787; 15120174; 15946662; 16142320; 16275634; 21317893; 24439533; 24771321; 24902122; 24902144; 24902156; 26683877; 26757757; 26988539; 31462592; 37613684; 38552853; 46507575; 47178680; 48036254; 48111548; 49658808; 49737749; 49748678; 50063430; 56435543; 56465164; 57320802; 58686048; 76273918; 81041251; 81054343; 85090415; 85164959 DR1720 DRUG__ID DR1720 DR1720 DRUGNAME Ximelagatran DR1720 PUBCMCID 9574101 DR1720 TTDRUGID D0JQ7Y DR1720 DFORMULA C24H35N5O5 DR1720 INCHIKEY ZXIBCJHYVWYIKI-PZJWPPBQSA-N DR1720 DRUINCHI 1S/C24H35N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21,26,33H,2-7,12-15H2,1H3,(H2,25,28)(H,27,31)/t19-,21+/m0/s1 DR1720 CASMILES CCOC(=O)CNC(C1CCCCC1)C(=O)N2CCC2C(=O)NCC3=CC=C(C=C3)C(=NO)N DR1720 CAS__NUM CAS 192939-46-1 DR1720 CHEBINUM 65172 DR1720 PUBCMSID 7849043; 12015148; 14785299; 14858738; 14883129; 14883130; 23997623; 44712163; 46509040; 49973459; 57372958; 79267685; 87225336; 124894453; 134338458; 135106952; 137002923; 137726685; 140950577; 142578696; 144207182; 160645186; 160967831; 164235510; 164766173; 180370510; 226396762; 226396763; 233586233; 251971104 DR1722 DRUG__ID DR1722 DR1722 DRUGNAME Yohimbine DR1722 PUBCMCID 8969 DR1722 TTDRUGID D0H4JM DR1722 DFORMULA C21H26N2O3 DR1722 INCHIKEY BLGXFZZNTVWLAY-SCYLSFHTSA-N DR1722 DRUINCHI 1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1 DR1722 CASMILES COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O DR1722 CAS__NUM CAS 146-48-5 DR1722 CHEBINUM 10093 DR1722 PUBCMSID 11447; 587676; 605307; 840951; 841871; 7980901; 8156377; 11120335; 11120823; 11121311; 11121803; 11122283; 11362990; 11365552; 11368114; 11371131; 11371132; 11373715; 11376276; 11466612; 11467732; 11486383; 11533345; 14754428; 14852160; 29227596; 46501178; 46504602; 47275218; 47349036; 47573040; 47646243; 47794706; 47869289; 48018552; 48318057; 48393589; 49698567; 50063657; 50104741; 50104742; 56459445; 57325346; 79341239; 81044603; 85787300; 85787958; 90340710; 92308815; 92310154 DR1723 DRUG__ID DR1723 DR1723 DRUGNAME Zafirlukast DR1723 PUBCMCID 5717 DR1723 TTDRUGID D05DVP DR1723 DFORMULA C31H33N3O6S DR1723 INCHIKEY YEEZWCHGZNKEEK-UHFFFAOYSA-N DR1723 DRUINCHI 1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35) DR1723 CASMILES CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CC3=CN(C4=C3C=C(C=C4)NC(=O)OC5CCCC5)C)OC DR1723 CAS__NUM CAS 107753-78-6 DR1723 CHEBINUM 10100 DR1723 PUBCMSID 9415; 5366114; 7847477; 7980903; 8148198; 8153502; 11528636; 12014035; 14788829; 26719823; 26757966; 29224754; 46386595; 46506874; 48416705; 49681658; 53788583; 57322909; 75347132; 81041165; 81092894; 85209709; 92308342; 92308866; 93166425; 103183576; 103922131; 104219525; 104253269; 104310052; 117890551; 124659012; 124757391; 124893156; 124893157; 124893158; 124893159; 125164195; 125335352; 126616863; 126658431; 126665183; 127318333; 127318334; 127318335; 127318336; 127318337; 127318338; 127318339; 127318340 DR1724 DRUG__ID DR1724 DR1724 DRUGNAME Zalcitabine DR1724 PUBCMCID 24066 DR1724 TTDRUGID D0Z9QR DR1724 DFORMULA C9H13N3O3 DR1724 INCHIKEY WREGKURFCTUGRC-POYBYMJQSA-N DR1724 DRUINCHI 1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1 DR1724 CASMILES C1CC(OC1CO)N2C=CC(=NC2=O)N DR1724 CAS__NUM CAS 7481-89-2 DR1724 CHEBINUM 10101 DR1724 PUBCMSID 9416; 595891; 596441; 596607; 596679; 601537; 602107; 878108; 3259589; 7847478; 7980904; 8167576; 11467065; 11468185; 11486840; 11504751; 11528334; 11532889; 14797711; 15171927; 17389522; 17404923; 22391526; 22431601; 24278377; 24862834; 25819962; 26719633; 26752752; 26752753; 29291163; 46386814; 46488030; 46507879; 47216920; 47216921; 47589142; 48185139; 48334652; 48416706; 48422195; 48422429; 48423540; 48424478; 49681781; 49693297; 49699414; 49734166; 50105404; 50105405 DR1725 DRUG__ID DR1725 DR1725 DRUGNAME Zaleplon DR1725 PUBCMCID 5719 DR1725 TTDRUGID D09DWL DR1725 DFORMULA C17H15N5O DR1725 INCHIKEY HUNXMJYCHXQEGX-UHFFFAOYSA-N DR1725 DRUINCHI 1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3 DR1725 CASMILES CCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C#N)C(=O)C DR1725 CAS__NUM CAS 151319-34-5 DR1725 CHEBINUM 10102 DR1725 PUBCMSID 9687; 5366116; 7847596; 8153504; 12014056; 14751928; 26719706; 29216208; 29224756; 46386657; 46508267; 48416707; 49831110; 49858710; 50064487; 57288874; 57322911; 58107163; 76325725; 81041179; 81093138; 87246409; 92308631; 92714203; 93166204; 103558703; 104179081; 104310058; 104829286; 124360324; 124659160; 125341659; 126629628;126655581; 126669582; 128115429; 131299907; 134337580; 135017416; 135698186; 135710033; 136352570; 136897476; 137001621; 142240621; 144089038; 144205425; 160964301; 162011443; 162022385 DR1726 DRUG__ID DR1726 DR1726 DRUGNAME Zaltoprofen DR1726 PUBCMCID 5720 DR1726 DFORMULA C17H14O3S DR1726 INCHIKEY MUXFZBHBYYYLTH-UHFFFAOYSA-N DR1726 DRUINCHI 1S/C17H14O3S/c1-10(17(19)20)11-6-7-15-12(8-11)9-14(18)13-4-2-3-5-16(13)21-15/h2-8,10H,9H2,1H3,(H,19,20) DR1726 CASMILES CC(C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2)C(=O)O DR1726 CAS__NUM CAS 74711-43-6 DR1726 CHEBINUM 32306 DR1727 DRUG__ID DR1727 DR1727 DRUGNAME Zanubrutinib DR1727 PUBCMCID 135565884 DR1727 DFORMULA C27H29N5O3 DR1727 INCHIKEY RNOAOAWBMHREKO-QFIPXVFZSA-N DR1727 DRUINCHI 1S/C27H29N5O3/c1-2-23(33)31-16-13-18(14-17-31)22-12-15-29-27-24(26(28)34)25(30-32(22)27)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,18,22,29H,1,12-17H2,(H2,28,34)/t22-/m0/s1 DR1727 CASMILES C=CC(=O)N1CCC(CC1)C2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N DR1727 CAS__NUM CAS 1691249-45-2 DR1728 DRUG__ID DR1728 DR1728 DRUGNAME Ziconotide DR1728 PUBCMCID 16135415 DR1728 TTDRUGID D01NLB DR1728 DFORMULA C102H172N36O32S7 DR1728 INCHIKEY BPKIMPVREBSLAJ-QTBYCLKRSA-N DR1728 DRUINCHI 1S/C102H172N36O32S7/c1-50(2)34-63-91(161)127-62(26-33-171-5)90(160)129-64(35-53-22-24-54(143)25-23-53)92(162)130-65(36-78(148)149)93(163)135-72-48-175-173-45-69(80(108)150)133-86(156)58(18-8-12-29-105)121-76(146)39-117-85(155)66(41-139)131-88(158)61(21-15-32-114-102(111)112)126-96(166)70-46-176-177-47-71(97(167)132-68(43-141)95(165)125-60(87(157)128-63)20-14-31-113-101(109)110)134-89(159)59(19-9-13-30-106)123-81(151)51(3)119-74(144)37-115-83(153)56(16-6-10-27-103)120-75(145)38-116-84(154)57(17-7-11-28-104)124-82(152)55(107)44-172-174-49-73(137-98(72)168)99(169)138-79(52(4)142)100(170)118-40-77(147)122-67(42-140)94(164)136-70/h22-25,50-52,55-73,79,139-143H,6-21,26-49,103-107H2,1-5H3,(H2,108,150)(H,115,153)(H,116,154)(H,117,155)(H,118,170)(H,119,144)(H,120,145)(H,121,146)(H,122,147)(H,123,151)(H,124,152)(H,125,165)(H,126,166)(H,127,161)(H,128,157)(H,129,160)(H,130,162)(H,131,158)(H,132,167)(H,133,156)(H,134,159)(H,135,163)(H,136,164)(H,137,168)(H,138,169)(H,148,149)(H4,109,110,113)(H4,111,112,114)/t51-,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,79-/m0/s1 DR1728 CASMILES CC1C(=O)NC(C(=O)NC2CSSCC3C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(CSSCC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)N1)CCCCN)CCCCN)N)C(=O)NC(C(=O)NCC(=O)NC(C(=O)N3)CO)C(C)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CO)CCCNC(=N)N)CC(C)C)CCSC)CC4=CC=C(C=C4)O)CC(=O)O)C(=O)N)CCCCN)CO)CCCNC(=N)N)CCCCN DR1728 CAS__NUM CAS 107452-89-1 DR1728 CHEBINUM 71193 DR1728 PUBCMSID 14817888; 28731828; 93815101; 135652369; 152134060; 160681706; 162226661; 163894034; 173333992; 187072158 DR1729 DRUG__ID DR1729 DR1729 DRUGNAME Zidovudine DR1729 PUBCMCID 35370 DR1729 TTDRUGID D01XYJ DR1729 DFORMULA C10H13N5O4 DR1729 INCHIKEY HBOMLICNUCNMMY-XLPZGREQSA-N DR1729 DRUINCHI 1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1 DR1729 CASMILES CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-] DR1729 CAS__NUM CAS 30516-87-1 DR1729 CHEBINUM 10110 DR1729 PUBCMSID 9419; 595886; 596433; 596437; 596594; 596595; 597291; 597292; 597293; 597457; 597458; 597459; 597460; 597461; 597462; 597463; 597555; 597641; 597664; 597665; 600904; 601536; 602048; 622272; 624122; 643735; 644084; 855980; 7846195; 7847479; 7980906; 8149829; 8173993; 11335699; 11360938; 11364242; 11366804; 11369366; 11372752; 11373842; 11377528; 11461910; 11484570; 11488743; 11491322; 11492147; 11495162; 12013681; 12146009; 14799161 DR1730 DRUG__ID DR1730 DR1730 DRUGNAME Zileuton DR1730 PUBCMCID 60490 DR1730 TTDRUGID D09JUG DR1730 DFORMULA C11H12N2O2S DR1730 INCHIKEY MWLSOWXNZPKENC-UHFFFAOYSA-N DR1730 DRUINCHI 1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14) DR1730 CASMILES CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)O DR1730 CAS__NUM CAS 111406-87-2 DR1730 CHEBINUM 10112 DR1730 PUBCMSID 6596772; 7847480; 7980907; 8186886; 11467118; 11528751; 12014274; 14718475; 14749468; 26719885; 29215400; 43117882;46386751; 46506394; 48416711; 48428761; 49681668; 53787380; 57314021; 78313368; 92307976; 92308490; 92308868; 92712341; 99437271; 103172204; 103857276; 103915089; 104320888; 104828550; 118048365; 118055406; 124658902; 124757252; 124801354; 124892201; 124892202; 125164056; 125333651; 126592904; 126625644; 126635297; 126682817; 128657786; 134337882; 135016842; 135565945; 135692156; 137171648; 140137208 DR1732 DRUG__ID DR1732 DR1732 DRUGNAME Ziprasidone DR1732 PUBCMCID 60854 DR1732 TTDRUGID D0R1JV DR1732 DFORMULA C21H21ClN4OS DR1732 INCHIKEY MVWVFYHBGMAFLY-UHFFFAOYSA-N DR1732 DRUINCHI 1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27) DR1732 CASMILES C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54 DR1732 CAS__NUM CAS 146939-27-7 DR1732 CHEBINUM 10119 DR1732 PUBCMSID 9771; 7481431; 7980909; 8187099; 14782044; 26719835; 43118192; 46386625; 46507627; 48416712; 49830895; 49984774; 56352942;57314152; 80112580; 81065539; 85175463; 85209383; 93166200; 96025370; 103194712; 103979184; 104321820; 119525882; 125341301; 126496584; 126618135; 126648879; 126671672; 127275844; 127275845; 127275846; 127275847; 127275848; 127275849; 127275850; 127275851; 127275852; 128655450; 131299396; 134337407; 134338706; 135026475; 135651359; 137001426; 142394815; 144205747; 144207074; 144224623; 152039802 DR1733 DRUG__ID DR1733 DR1733 DRUGNAME Zolmitriptan DR1733 PUBCMCID 60857 DR1733 TTDRUGID D0NG7O DR1733 DFORMULA C16H21N3O2 DR1733 INCHIKEY ULSDMUVEXKOYBU-ZDUSSCGKSA-N DR1733 DRUINCHI 1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1 DR1733 CASMILES CN(C)CCC1=CNC2=C1C=C(C=C2)CC3COC(=O)N3 DR1733 CAS__NUM CAS 139264-17-8 DR1733 CHEBINUM 10124 DR1733 PUBCMSID 9427; 7847481; 7980917; 8187100; 11484392; 11488544; 11528684; 12014671; 14897880; 14922369; 26612872; 26680025; 26719749; 43118195; 46386880; 46386934; 46506452; 46530532; 49681573; 50730852; 57314155; 91011737; 92124588; 92308124; 92308640; 93166198; 96099961; 103346351; 103941674; 104179250; 104253285; 104321827; 117664449; 118855343; 124636835; 124757406; 124801240; 125164210; 126656630; 126667001; 129386325; 135017989; 135651366; 135692210; 135693782; 136974858; 137171693; 142742126; 144076376; 144205008 DR1735 DRUG__ID DR1735 DR1735 DRUGNAME Zolpidem tartrate DR1735 PUBCMCID 18004026 DR1735 TTDRUGID D0T1WN DR1735 DFORMULA C23H27N3O7 DR1735 INCHIKEY NYVVVBWEVRSKIU-UHFFFAOYSA-N DR1735 DRUINCHI 1S/C19H21N3O.C4H6O6/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19;5-1(3(7)8)2(6)4(9)10/h5-10,12H,11H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10) DR1735 CASMILES CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C.C(C(C(=O)O)O)(C(=O)O)O DR1735 CAS__NUM CAS 99294-93-6 DR1736 DRUG__ID DR1736 DR1736 DRUGNAME Zomepirac DR1736 PUBCMCID 23663418 DR1736 TTDRUGID D0SU1G DR1736 DFORMULA C15H17ClNNaO5 DR1736 INCHIKEY ZJXLSCXDGPDZOL-UHFFFAOYSA-M DR1736 DRUINCHI 1S/C15H14ClNO3/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10/h3-7H,8H2,1-2H3,(H,18,19) DR1736 CASMILES CC1=C(N(C(=C1)CC(=O)[O-])C)C(=O)C2=CC=C(C=C2)Cl.O.O.[Na+] DR1736 CAS__NUM CAS 33369-31-2 DR1737 DRUG__ID DR1737 DR1737 DRUGNAME Zonisamide DR1737 PUBCMCID 5734 DR1737 TTDRUGID D09ZIS DR1737 DFORMULA C8H8N2O3S DR1737 INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N DR1737 DRUINCHI 1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12) DR1737 CASMILES C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N DR1737 CAS__NUM CAS 68291-97-4 DR1737 CHEBINUM 10127 DR1737 PUBCMSID 9707; 5375171; 7847604; 8153515; 11528623; 12012838; 12016186; 15220241; 29215225; 29224771; 46505278; 46511458; 49666067; 50086000; 50109845; 57322921; 74524371; 81093137; 85174242; 85788213; 87322638; 92308963; 92714085; 92729687; 93166866; 93167201; 99437155; 103147645; 103200464; 103911541; 104170135; 104310103; 105859475;117532844; 117843348; 118048699; 121362594; 124757254; 124801297; 125164058; 125324718; 125356086; 126629668; 126655670; 126670159; 129345232; 130010354; 131323538; 131377323; 134337793 DR1738 DRUG__ID DR1738 DR1738 DRUGNAME Zopiclone DR1738 PUBCMCID 5735 DR1738 TTDRUGID D0ZB7K DR1738 DFORMULA C17H17ClN6O3 DR1738 INCHIKEY GBBSUAFBMRNDJC-UHFFFAOYSA-N DR1738 DRUINCHI 1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3 DR1738 CASMILES CN1CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl DR1738 CAS__NUM CAS 43200-80-2 DR1738 CHEBINUM 32315 DR1738 PUBCMSID 855666; 866104; 5375172; 7848435; 7849623; 7980919; 8153516; 10522775; 12013157; 14780617; 17405824; 24278148; 26747152; 26752065; 29224772; 46505233; 47656611; 47805060; 48403964; 50011925; 50085854; 50085966; 53778376; 56313660; 57309681; 75503738; 81093136; 85788133; 87246425; 92303207; 99437272; 103372219; 103950786; 104310106; 117795243; 124750371; 124757255; 124881860; 124881861; 124881862; 125164059; 125307796; 125325469; 125340634; 125350552; 126666542; 131803007; 134337723; 135001647; 135697518 DR1739 DRUG__ID DR1739 DR1739 DRUGNAME Zotepine DR1739 PUBCMCID 5736 DR1739 TTDRUGID D0T6QX DR1739 DFORMULA C18H18ClNOS DR1739 INCHIKEY HDOZVRUNCMBHFH-UHFFFAOYSA-N DR1739 DRUINCHI 1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3 DR1739 CASMILES CN(C)CCOC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl DR1739 CAS__NUM CAS 26615-21-4 DR1739 CHEBINUM 32316 DR1739 PUBCMSID 5375173; 7848384; 7980920; 8153517; 12013422; 14899864; 29224773; 48416715; 49658668; 49832081; 49962436; 57322922; 74607145; 85174240; 85209606; 85753334; 91749410; 92729688; 103195284; 103993496; 104310109; 109613401; 114919769; 118313787; 124893805; 124893806; 125346524; 128045577; 131308055; 134341323; 134996843; 135651367; 137001502; 142405042; 144206686; 162175576; 162248926; 164829244; 170465934; 175611849; 179150247; 198951716; 224543978; 226486877; 250133641; 252157701; 252418861; 252450828 DR1741 DRUG__ID DR1741 DR1741 DRUGNAME Zuclopenthixol DR1741 PUBCMCID 5311507 DR1741 TTDRUGID D0I8LU DR1741 DFORMULA C22H25ClN2OS DR1741 INCHIKEY WFPIAZLQTJBIFN-DVZOWYKESA-N DR1741 DRUINCHI 1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/b18-5- DR1741 CASMILES C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO DR1741 CAS__NUM CAS 53772-83-1 DR1741 CHEBINUM 51364 DR1744 DRUG__ID DR1744 DR1744 DRUGNAME Oxcarbazepine DR1744 PUBCMCID 34312 DR1744 TTDRUGID D0QL3P DR1744 DFORMULA C15H12N2O2 DR1744 INCHIKEY CTRLABGOLIVAIY-UHFFFAOYSA-N DR1744 DRUINCHI 1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19) DR1744 CASMILES C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N DR1744 CAS__NUM CAS 28721-07-5 DR1744 CHEBINUM 7824 DR1744 PUBCMSID 9695; 866068; 866523; 7784956; 7847599; 7980216; 8173559; 11364569; 11367131; 11369693; 11372776; 11374387; 11377855; 11484081; 11488299; 11491484; 11492449; 11495489; 11528646; 12013820; 15196775; 24724563; 26612687; 26679796; 26719673; 26747194; 26747195; 34676003; 46386767; 46507580; 47291388; 47365462; 50085868; 50105170; 53790510; 57311661; 75522661; 81040908; 81093135; 87561105; 92124721; 92307920; 92308514; 92309109; 92711414; 93166236; 96099912; 99233256; 99437127; 103292787 DR1746 DRUG__ID DR1746 DR1746 DRUGNAME Dicumarol DR1746 PUBCMCID 54676038 DR1746 TTDRUGID D02TJS DR1746 DFORMULA C19H12O6 DR1746 INCHIKEY DOBMPNYZJYQDGZ-UHFFFAOYSA-N DR1746 DRUINCHI 1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2 DR1746 CASMILES C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O DR1746 CAS__NUM CAS 66-76-2 DR1746 CHEBINUM 4513 DR1746 PUBCMSID 2636; 4054; 81051; 96557; 606498; 828851; 841964; 3138564; 3288931; 5394319; 7979068; 8149297; 10321191; 10532227; 11112184; 11131943; 11220586; 11336071; 11361310; 11363059; 11365621; 11368183; 11371493; 11374194; 11376345; 11462282; 11466813; 11467933; 11483984; 11486565; 11487960; 11490203; 11492323; 11493979; 11532436; 14851261; 17397886; 24439015; 24896643; 26611698; 26680286; 26747987; 26747988; 26758600; 36502598; 46505536; 47216838; 47291197; 47440330; 47515376 DR1747 DRUG__ID DR1747 DR1747 DRUGNAME Amifampridine DR1747 PUBCMCID 5918 DR1747 TTDRUGID D0HE0Y DR1747 DFORMULA C5H7N3 DR1747 INCHIKEY OYTKINVCDFNREN-UHFFFAOYSA-N DR1747 DRUINCHI 1S/C5H7N3/c6-4-1-2-8-3-5(4)7/h1-3H,7H2,(H2,6,8) DR1747 CASMILES C1=CN=CC(=C1N)N DR1747 CAS__NUM CAS 54-96-6 DR1747 CHEBINUM 135948 DR1748 DRUG__ID DR1748 DR1748 DRUGNAME Aminosalicylic acid DR1748 PUBCMCID 4649 DR1748 TTDRUGID D01WJL DR1748 DFORMULA C7H7NO3 DR1748 INCHIKEY WUBBRNOQWQTFEX-UHFFFAOYSA-N DR1748 DRUINCHI 1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11) DR1748 CASMILES C1=CC(=C(C=C1N)O)C(=O)O DR1748 CAS__NUM CAS 65-49-6 DR1748 CHEBINUM 27565 DR1749 DRUG__ID DR1749 DR1749 DRUGNAME Aspirin DR1749 PUBCMCID 2244 DR1749 TTDRUGID D0GY5Z DR1749 DFORMULA C9H8O4 DR1749 INCHIKEY BSYNRYMUTXBXSQ-UHFFFAOYSA-N DR1749 DRUINCHI 1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12) DR1749 CASMILES CC(=O)OC1=CC=CC=C1C(=O)O DR1749 CAS__NUM CAS 50-78-2 DR1749 CHEBINUM 15365 DR1749 PUBCMSID 4594; 87798; 476106; 602429; 829042; 832958; 840714; 3135921; 5261264; 7847177; 7885805; 7978731; 8143164; 8149208; 8151516; 10524572; 11110749; 11335730; 11360969; 11364139; 11364685; 11366701; 11367247; 11369263; 11369809; 11372248; 11372850; 11373537; 11375409; 11377425; 11377972; 11406615; 11461941; 11485574; 11489715; 11491110; 11491914; 11495059; 15195166; 17389202; 17390036; 17404602; 24278218; 24714725; 24890623; 24890723; 24891140; 26611613; 26679412; 26717767 DR1750 DRUG__ID DR1750 DR1750 DRUGNAME Norethindrone acetate DR1750 PUBCMCID 5832 DR1750 DFORMULA C22H28O3 DR1750 INCHIKEY IMONTRJLAWHYGT-ZCPXKWAGSA-N DR1750 DRUINCHI 1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22-/m0/s1 DR1750 CASMILES CC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C)C#C DR1750 CAS__NUM CAS 51-98-9 DR1750 CHEBINUM 7628 DR1751 DRUG__ID DR1751 DR1751 DRUGNAME Triamcinolone diacetate DR1751 PUBCMCID 6216 DR1751 DFORMULA C25H31FO8 DR1751 INCHIKEY XGMPVBXKDAHORN-RBWIMXSLSA-N DR1751 DRUINCHI 1S/C25H31FO8/c1-13(27)33-12-20(31)25(32)21(34-14(2)28)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)19(30)11-23(18,25)4/h7-9,17-19,21,30,32H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22-,23-,24-,25+/m0/s1 DR1751 CASMILES CC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)OC(=O)C)O DR1751 CAS__NUM CAS 67-78-7 DR1751 CHEBINUM 9669 DR1752 DRUG__ID DR1752 DR1752 DRUGNAME Ethionamide DR1752 PUBCMCID 2761171 DR1752 TTDRUGID D0P0HB DR1752 DFORMULA C8H10N2S DR1752 INCHIKEY AEOCXXJPGCBFJA-UHFFFAOYSA-N DR1752 DRUINCHI 1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11) DR1752 CASMILES CCC1=NC=CC(=C1)C(=S)N DR1752 CAS__NUM CAS 536-33-4 DR1752 CHEBINUM 4885 DR1752 PUBCMSID 9867; 138261; 602897; 3189207; 5235093; 7847657; 7979199; 8149340; 8815239; 10321785; 10525861; 11112402; 11335320; 11360559; 11363976; 11366538; 11369100; 11371336; 11374352; 11377262; 11461531; 11466554; 11467674; 11484823; 11486168; 11488810; 11490244; 11492362; 11494896; 11532957; 15413224; 17389895; 24894350; 26611740; 26679347; 26747295; 26747296; 26752898; 39176212; 46506077; 47365040; 47515175; 47515176; 47588853; 47959584; 48184860; 48334345; 48413732; 48415974; 48423391 DR1753 DRUG__ID DR1753 DR1753 DRUGNAME Ethchlorvynol DR1753 PUBCMCID 5281077 DR1753 TTDRUGID D03VZH DR1753 DFORMULA C7H9ClO DR1753 INCHIKEY ZEHYJZXQEQOSON-AATRIKPKSA-N DR1753 DRUINCHI 1S/C7H9ClO/c1-3-7(9,4-2)5-6-8/h1,5-6,9H,4H2,2H3/b6-5+ DR1753 CASMILES CCC(C=CCl)(C#C)O DR1753 CAS__NUM CAS 113-18-8 DR1753 CHEBINUM 4882 DR1753 PUBCMSID 10035; 7847769; 7979197; 8616506; 10504382; 15363676; 39289998; 46505006; 50003221; 52002170; 57358002; 99437354; 103181692; 103825403; 113854516; 117454917; 125330356; 126676858; 134222995; 134337483; 134973868; 137008512; 137254894; 152043177; 160963537; 162199557; 164841061; 178103755; 179225721; 179316266; 223655265; 226486209; 226486211; 249987023 DR1754 DRUG__ID DR1754 DR1754 DRUGNAME Floxuridine DR1754 PUBCMCID 5790 DR1754 TTDRUGID D0TS1Z DR1754 DFORMULA C9H11FN2O5 DR1754 INCHIKEY ODKNJVUHOIMIIZ-RRKCRQDMSA-N DR1754 DRUINCHI 1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1 DR1754 CASMILES C1C(C(OC1N2C=C(C(=O)NC2=O)F)CO)O DR1754 CAS__NUM CAS 50-91-9 DR1754 CHEBINUM 60761 DR1754 PUBCMSID 13901; 603423; 855946; 3139662; 7978599; 8153561; 12146088; 14749704; 14749705; 24894724; 25622076; 29215018; 29215019; 29224824; 46508645; 47206143; 48416016; 49693295; 49833282; 50061739; 50104188; 50895505; 56459391; 57322956; 85279351; 87568673; 92309168; 92714934; 93576919; 103158493; 103240093; 104310265; 117613653; 124558526; 124799590; 126623741; 126943727; 127301295; 127301296; 127301297; 127301298; 127301299; 127301300; 127301301; 127301302; 127301303; 127301304; 127301305; 127301306; 127301307 DR1755 DRUG__ID DR1755 DR1755 DRUGNAME Empagliflozin DR1755 PUBCMCID 11949646 DR1755 TTDRUGID D06ALD DR1755 DFORMULA C23H27ClO7 DR1755 INCHIKEY OBWASQILIWPZMG-QZMOQZSNSA-N DR1755 DRUINCHI 1S/C23H27ClO7/c24-18-6-3-14(23-22(28)21(27)20(26)19(11-25)31-23)10-15(18)9-13-1-4-16(5-2-13)30-17-7-8-29-12-17/h1-6,10,17,19-23,25-28H,7-9,11-12H2/t17-,19+,20+,21-,22+,23-/m0/s1 DR1755 CASMILES C1COCC1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)C4C(C(C(C(O4)CO)O)O)O)Cl DR1755 CAS__NUM CAS 864070-44-0 DR1755 CHEBINUM 82720 DR1755 PUBCMSID 17390987; 23917761; 35020536; 80625411; 135267035; 136350032; 137759455; 160647541; 160671533; 162201844; 163620871; 170500874; 172232552; 178101464; 186021010; 189024748; 198945623; 206246269; 211535427; 223447440; 223471392; 223602217; 223701070; 227166637; 241383513; 242077478; 245606277; 249737155; 249865857; 251963060; 252067199; 252159682; 252215347 DR1756 DRUG__ID DR1756 DR1756 DRUGNAME Edaravone DR1756 PUBCMCID 4021 DR1756 TTDRUGID D06DLI DR1756 DFORMULA C10H10N2O DR1756 INCHIKEY QELUYTUMUWHWMC-UHFFFAOYSA-N DR1756 DRUINCHI 1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3 DR1756 CASMILES CC1=NN(C(=O)C1)C2=CC=CC=C2 DR1756 CAS__NUM CAS 89-25-8 DR1756 CHEBINUM 31530 DR1756 PUBCMSID 66965; 69252; 87060; 583397; 855774; 3133945; 5663208; 7848615; 8150018; 8152519; 10537545; 11113339; 11120318;11120806; 11121294; 11121793; 11122273; 11336193; 11337201; 11361432; 11362989; 11363161; 11365551; 11365723; 11368113; 11368285; 11371129; 11371130; 11371920; 11373714; 11374640; 11376275; 11376447;11384009; 11462404; 11485244; 11489390; 11490786; 11492905; 11494081; 11512560; 12014003; 15219562; 16959864; 17389763; 22389521; 24885706; 24897140; 25622932; 26612506 DR1757 DRUG__ID DR1757 DR1757 DRUGNAME Doxercalciferol DR1757 PUBCMCID 5281107 DR1757 TTDRUGID D0G5CF DR1757 DFORMULA C28H44O2 DR1757 INCHIKEY HKXBNHCUPKIYDM-CGMHZMFXSA-N DR1757 DRUINCHI 1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1 DR1757 CASMILES CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C DR1757 CAS__NUM CAS 54573-75-0 DR1757 CHEBINUM 4712 DR1757 PUBCMSID 10410; 7848072; 8616516; 11528742; 14714977; 14757783; 14831187; 26759741; 39290018; 47721666; 50096685; 50140476; 53790000; 57358018; 71855033; 103770793; 109693717; 113854564; 126670553; 127324039; 127324040; 127324041; 134957119; 135079074; 135651481; 135698305; 137248797; 142560574; 143493351; 144206531; 152164533; 152238015; 152258777; 160647628; 162189015; 163687121; 164227093; 165238070; 175266149; 176264149; 184593516; 184812060; 210277996; 223439572; 223860398; 226660079; 251915651; 251917001; 252157093; 252160414 DR1758 DRUG__ID DR1758 DR1758 DRUGNAME Dobutamine hydrochloride DR1758 PUBCMCID 65324 DR1758 TTDRUGID D0J7RK DR1758 DFORMULA C18H24ClNO3 DR1758 INCHIKEY BQKADKWNRWCIJL-UHFFFAOYSA-N DR1758 DRUINCHI 1S/C18H23NO3.ClH/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;/h4-9,12-13,19-22H,2-3,10-11H2,1H3;1H DR1758 CASMILES CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O.Cl DR1758 CAS__NUM CAS 49745-95-1 DR1758 CHEBINUM 4671 DR1759 DRUG__ID DR1759 DR1759 DRUGNAME Dextroamphetamine DR1759 PUBCMCID 5826 DR1759 TTDRUGID D0T3LF DR1759 DFORMULA C9H13N DR1759 INCHIKEY KWTSXDURSIMDCE-QMMMGPOBSA-N DR1759 DRUINCHI 1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1 DR1759 CASMILES CC(CC1=CC=CC=C1)N DR1759 CAS__NUM CAS 51-64-9 DR1759 CHEBINUM 4469 DR1759 PUBCMSID 10086; 841177; 8153594; 10318924; 15170721; 17397829; 29224859; 30896359; 46506252; 47359952; 47954515; 48415867; 50004613; 50071310; 50113060; 57322985; 77830612; 96099848; 103185157; 103933285; 104310370; 127272464; 127272465; 127329738; 127329739; 127329740; 127329741; 127329742; 127329743; 127329744; 127329745; 127329746; 128273812; 128445969; 134337863; 134338391; 134338667; 134972590; 135650979; 137001216; 142361370; 160963530; 170475110; 170506196; 175266841; 175269378; 175444077; 179116645; 184585369; 223826584 DR1760 DRUG__ID DR1760 DR1760 DRUGNAME Dexmethylphenidate DR1760 PUBCMCID 154101 DR1760 DFORMULA C14H19NO2 DR1760 INCHIKEY DUGOZIWVEXMGBE-CHWSQXEVSA-N DR1760 DRUINCHI 1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m1/s1 DR1760 CASMILES COC(=O)C(C1CCCCN1)C2=CC=CC=C2 DR1760 CAS__NUM CAS 40431-64-9 DR1760 CHEBINUM 51860 DR1761 DRUG__ID DR1761 DR1761 DRUGNAME Desloratadine DR1761 PUBCMCID 124087 DR1761 TTDRUGID D01GBY DR1761 DFORMULA C19H19ClN2 DR1761 INCHIKEY JAUOIFJMECXRGI-UHFFFAOYSA-N DR1761 DRUINCHI 1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2 DR1761 CASMILES C1CC2=C(C=CC(=C2)Cl)C(=C3CCNCC3)C4=C1C=CC=N4 DR1761 CAS__NUM CAS 100643-71-8 DR1761 CHEBINUM 291342 DR1761 PUBCMSID 515991; 4480883; 10240975; 11528904; 12013632; 14742700; 14874264; 17397787; 25623633; 26719697; 26754458; 29215232;29215233; 29304216; 46386563; 46507996; 49830094; 50086379; 53790902; 57340751; 75986670; 85209723; 85483828; 87561219; 92307949; 92308612; 92309042; 92712182; 93619677; 103341726; 103966640; 104420034; 104829344; 117782347; 124659138; 125325449; 125336452; 126584136; 126630167; 126656876; 126670272; 126728408; 128248166; 134337643; 134358654; 135078453; 135916143; 137001891; 142370109; 144076154 DR1762 DRUG__ID DR1762 DR1762 DRUGNAME Deferiprone DR1762 PUBCMCID 2972 DR1762 TTDRUGID D0N0OU DR1762 DFORMULA C7H9NO2 DR1762 INCHIKEY TZXKOCQBRNJULO-UHFFFAOYSA-N DR1762 DRUINCHI 1S/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3 DR1762 CASMILES CC1=C(C(=O)C=CN1C)O DR1762 CAS__NUM CAS 30652-11-0 DR1762 CHEBINUM 68554 DR1762 PUBCMSID 619486; 3141081; 5185332; 8139956; 8151894; 12014095; 12016210; 15120034; 24863630; 26719648; 26752603; 29222122; 46386865; 50033992; 50511870; 51091751; 53787887; 57288765; 57321538; 87571300; 88835489; 92308275; 99452950; 103267492; 104233432; 104302153; 114916997; 117477666; 118274575; 121362354; 124594983; 124658784; 124800098; 125504819; 126604544; 129338095; 134999734; 137034119; 142312282; 143396714; 144075741; 144097800; 144205982; 152041705; 160645804; 160794436; 162022029; 162138833; 162221207; 162290948 DR1763 DRUG__ID DR1763 DR1763 DRUGNAME Decitabine DR1763 PUBCMCID 451668 DR1763 TTDRUGID D0X5XU DR1763 DFORMULA C8H12N4O4 DR1763 INCHIKEY XAUDJQYHKZQPEU-KVQBGUIXSA-N DR1763 DRUINCHI 1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1 DR1763 CASMILES C1C(C(OC1N2C=NC(=NC2=O)N)CO)O DR1763 CAS__NUM CAS 2353-33-5 DR1763 CHEBINUM 50131 DR1763 PUBCMSID 596457; 10300747; 12013916; 14749266; 14798099; 17397761; 24890797; 26758275; 46505657; 47211573; 47515034; 48422583; 49831907; 49836662; 53789316; 56310803; 56310829; 56310991; 56311079; 56311138; 56311371; 56311372; 56311435; 56311466; 56311472; 56311487; 56311581; 56311739; 56311918; 56312280; 56312302; 56312939; 56313048; 56313052; 56313366; 56313487; 56313832; 56313833; 56313869; 56314010; 56324652; 57260149; 57288417; 57288447; 57288645; 57405281; 78597402; 92719107; 103771112; 104253166 DR1765 DRUG__ID DR1765 DR1765 DRUGNAME Bromfenac DR1765 PUBCMCID 60726 DR1765 TTDRUGID D0U1OM DR1765 DFORMULA C15H12BrNO3 DR1765 INCHIKEY ZBPLOVFIXSTCRZ-UHFFFAOYSA-N DR1765 DRUINCHI 1S/C15H12BrNO3/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19/h1-7H,8,17H2,(H,18,19) DR1765 CASMILES C1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N)CC(=O)O DR1765 CAS__NUM CAS 91714-94-2 DR1765 CHEBINUM 240107 DR1765 PUBCMSID 8187024; 14802056; 43118081; 46508121; 50065379; 50714597; 51091863; 53786963; 57288753; 57314080; 85433311; 103293849; 104321485; 117562408; 119526091; 125536482; 129879365; 131330262; 134338019; 135065652; 137005805; 142970983; 152227509; 160814551; 160964302; 162197012; 163089933; 163373042; 163837609; 164117525; 164175212; 172092503; 175268177; 178103707; 179151433; 184545820; 186004941; 196396861; 203081294; 204420653; 223388494; 223435566; 223484710; 223551046; 223656326; 224730616; 226420876; 242065764; 249847324; 250181405 DR1766 DRUG__ID DR1766 DR1766 DRUGNAME Carprofen DR1766 PUBCMCID 2581 DR1766 TTDRUGID D0IT2X DR1766 DFORMULA C15H12ClNO2 DR1766 INCHIKEY PUXBGTOOZJQSKH-UHFFFAOYSA-N DR1766 DRUINCHI 1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19) DR1766 CASMILES CC(C1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)Cl)C(=O)O DR1766 CAS__NUM CAS 53716-49-7 DR1766 CHEBINUM 364453 DR1766 PUBCMSID 147404; 224736; 7387300; 8151706; 11372077; 11374733; 11484848; 11489052; 11490754; 11492852; 12013355; 14824217; 17397550; 24860673; 25623932; 26612250; 26679932; 26748565; 26748566; 29221741; 46505357; 48110633; 49901603; 49901604; 50085988; 51138619; 57321383; 57648952; 85174420; 85556037; 92124308; 92307546; 92719046; 99215020; 103159169; 103409544; 103994678; 104301004; 117843310; 124489038; 124636988; 124801035; 125324613; 125352521; 126621128; 126653073; 126670260; 128971698; 131317931; 131813290 DR1767 DRUG__ID DR1767 DR1767 DRUGNAME Fluoxymesterone DR1767 PUBCMCID 6446 DR1767 TTDRUGID D0L2LS DR1767 DFORMULA C20H29FO3 DR1767 INCHIKEY YLRFCQOZQXIBAB-RBZZARIASA-N DR1767 DRUINCHI 1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1 DR1767 CASMILES CC12CCC(=O)C=C1CCC3C2(C(CC4(C3CCC4(C)O)C)O)F DR1767 CAS__NUM CAS 76-43-7 DR1767 CHEBINUM 5120 DR1767 PUBCMSID 75841; 76923; 3133709; 7847393; 7979262; 8154109; 12159208; 15988956; 17388998; 24702277; 24894947; 29225425; 46508867; 46518295; 48425150; 49869459; 50458251; 56394864; 56422069; 57323449; 103516450; 104312087; 124813320; 124890361; 126678043; 127336739; 127336740; 127336741; 127336742; 127336743; 129813610; 131325851; 134222291; 134338181; 134971676; 135650271; 136903793; 137003909; 139326883; 144206709; 144208052; 152034528; 152164564; 152250278; 160964519; 164788458; 175265297; 179296051; 223680831; 226396927 DR1768 DRUG__ID DR1768 DR1768 DRUGNAME Glecaprevir DR1768 PUBCMCID 66828839 DR1768 DFORMULA C38H46F4N6O9S DR1768 INCHIKEY MLSQGNCUYAMAHD-ITNVBOSISA-N DR1768 DRUINCHI 1S/C38H46F4N6O9S/c1-35(2,3)28-32(50)48-19-20(17-24(48)30(49)46-37(18-21(37)29(39)40)33(51)47-58(53,54)36(4)14-15-36)56-31-27(43-22-9-5-6-10-23(22)44-31)38(41,42)13-8-16-55-25-11-7-12-26(25)57-34(52)45-28/h5-6,8-10,13,20-21,24-26,28-29H,7,11-12,14-19H2,1-4H3,(H,45,52)(H,46,49)(H,47,51)/b13-8+/t20-,21+,24+,25-,26-,28-,37-/m1/s1 DR1768 CASMILES CC1(CC1)S(=O)(=O)NC(=O)C2(CC2C(F)F)NC(=O)C3CC4CN3C(=O)C(NC(=O)OC5CCCC5OCC=CC(C6=NC7=CC=CC=C7N=C6O4)(F)F)C(C)(C)C DR1768 CAS__NUM CAS 1365970-03-1 DR1769 DRUG__ID DR1769 DR1769 DRUGNAME Glutethimide DR1769 PUBCMCID 3487 DR1769 TTDRUGID D0Z9NZ DR1769 DFORMULA C13H15NO2 DR1769 INCHIKEY JMBQKKAJIKAWKF-UHFFFAOYSA-N DR1769 DRUINCHI 1S/C13H15NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h3-7H,2,8-9H2,1H3,(H,14,15,16) DR1769 CASMILES CCC1(CCC(=O)NC1=O)C2=CC=CC=C2 DR1769 CAS__NUM CAS 77-21-4 DR1769 CHEBINUM 5439 DR1769 PUBCMSID 9692; 400159; 5047947; 7847598; 8152215; 10535494; 15414774; 26754495; 29215340; 29222619; 46506283; 48416061; 49973115; 53786842; 57321835; 78011658; 83568923; 92714692; 103304476; 104303656; 117423004; 124892162; 125357548; 126623946; 126679218; 128294734; 134338522; 134972155; 137141503; 137259869; 141622985; 144205194; 152037161; 160964704; 164831491; 170465223; 178103767; 179225784; 198993194; 223439844; 223681168; 226486312; 249990931; 250170659 DR1770 DRUG__ID DR1770 DR1770 DRUGNAME Hydroxyamphetamine DR1770 PUBCMCID 3651 DR1770 DFORMULA C9H13NO DR1770 INCHIKEY GIKNHHRFLCDOEU-UHFFFAOYSA-N DR1770 DRUINCHI 1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3 DR1770 CASMILES CC(CC1=CC=C(C=C1)O)N DR1770 CAS__NUM CAS 103-86-6 DR1770 CHEBINUM 103855 DR1771 DRUG__ID DR1771 DR1771 DRUGNAME Adefovir dipivoxil DR1771 PUBCMCID 60871 DR1771 TTDRUGID D0ML1F DR1771 DFORMULA C20H32N5O8P DR1771 INCHIKEY WOZSCQDILHKSGG-UHFFFAOYSA-N DR1771 DRUINCHI 1S/C20H32N5O8P/c1-19(2,3)17(26)30-11-32-34(28,33-12-31-18(27)20(4,5)6)13-29-8-7-25-10-24-14-15(21)22-9-23-16(14)25/h9-10H,7-8,11-13H2,1-6H3,(H2,21,22,23) DR1771 CASMILES CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C(N=CN=C21)N)OCOC(=O)C(C)(C)C DR1771 CAS__NUM CAS 142340-99-6 DR1771 PUBCMSID 612309; 7848718; 8187107; 11528768; 12014790; 14908863; 26758046; 43118206; 46507520; 49830940; 57314164; 71824987; 74485826; 87244050; 87245424; 92712536; 103240599; 104253333; 104321855; 109692937; 118048871; 119525323; 124757452; 125164256; 125340236; 126592990; 126630083; 126656634; 126665844; 129613204; 131298815; 134222429; 134337388; 134338819; 134340371; 135018282; 135565514; 135692243; 135727110; 136345656; 136368131; 136946538; 136949103; 137006009; 142181502; 143493341; 144115540; 144180310; 144205796; 152242352 DR1772 DRUG__ID DR1772 DR1772 DRUGNAME Dexrazoxane hydrochloride DR1772 PUBCMCID 6918223 DR1772 TTDRUGID D07XVN DR1772 DFORMULA C11H17ClN4O4 DR1772 INCHIKEY BIFMNMPSIYHKDN-FJXQXJEOSA-N DR1772 DRUINCHI 1S/C11H16N4O4.ClH/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14;/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19);1H/t7-;/m0./s1 DR1772 CASMILES CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2.Cl DR1772 CAS__NUM CAS 149003-01-0 DR1772 CHEBINUM 50224 DR1773 DRUG__ID DR1773 DR1773 DRUGNAME Clofarabine DR1773 PUBCMCID 119182 DR1773 TTDRUGID D0R5RR DR1773 DFORMULA C10H11ClFN5O3 DR1773 INCHIKEY WDDPHFBMKLOVOX-AYQXTPAHSA-N DR1773 DRUINCHI 1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4+,6-,9-/m1/s1 DR1773 CASMILES C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)F)Cl)N DR1773 CAS__NUM CAS 123318-82-1 DR1773 CHEBINUM 681569 DR1773 PUBCMSID 8149071; 10238376; 10317422; 12014412; 14800615; 14800616; 29300120; 46504968; 47205855; 50027432; 56459308; 57339361; 71821361; 77716344; 81092867; 92309003; 92719465; 93608050; 99437031; 99444025; 103707445; 104407717; 109610765; 118048878; 124757091; 125163895; 126584329; 126620778; 126652234; 126671067; 129564367; 134223319; 134338128; 135073562; 135698306; 136920392; 136946661; 136949087; 137005624; 141857409; 143493352; 144115841; 144205735; 152058774; 152237732; 152258941; 160647786; 160963976; 162011506; 162176704 DR1774 DRUG__ID DR1774 DR1774 DRUGNAME Peficitinib DR1774 PUBCMCID 57928403 DR1774 TTDRUGID D06EIC DR1774 DFORMULA C18H22N4O2 DR1774 INCHIKEY DREIJXJRTLTGJC-JQCLMNFQSA-N DR1774 DRUINCHI 1S/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22)/t9?,10-,11+,14?,18? DR1774 CASMILES C1C2CC3CC(C2)(CC1C3NC4=C5C=CNC5=NC=C4C(=O)N)O DR1774 CAS__NUM CAS 944118-01-8 DR1774 PUBCMSID 137951042; 137951123; 164180739; 173334224; 194147758; 227392433; 227392436; 230374902; 235335272; 235335280; 244451093; 245539868; 246562931; 252166527 DR1775 DRUG__ID DR1775 DR1775 DRUGNAME TRV-130 DR1775 PUBCMCID 66553195 DR1775 TTDRUGID D06ENM DR1775 DFORMULA C22H30N2O2S DR1775 INCHIKEY DMNOVGJWPASQDL-OAQYLSRUSA-N DR1775 DRUINCHI 1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3/t21-/m1/s1 DR1775 CASMILES COC1=C(SC=C1)CNCCC2(CCOC3(C2)CCCC3)C4=CC=CC=N4 DR1775 CAS__NUM CAS 1401028-24-7 DR1775 PUBCMSID 152159759; 174525413; 178103906; 237602152; 252163523 DR1776 DRUG__ID DR1776 DR1776 DRUGNAME RO-408757 DR1776 PUBCMCID 5467732 DR1776 TTDRUGID D0S2YX DR1776 DFORMULA C29H39NO2 DR1776 INCHIKEY OUQPTBCOEKUHBH-LSDHQDQOSA-N DR1776 DRUINCHI 1S/C29H39NO2/c1-22(24-8-11-26-27(21-24)29(4,5)13-12-28(26,2)3)20-23-6-9-25(10-7-23)32-19-16-30-14-17-31-18-15-30/h6-11,20-21H,12-19H2,1-5H3/b22-20+ DR1776 CASMILES CC(=CC1=CC=C(C=C1)OCCN2CCOCC2)C3=CC4=C(C=C3)C(CCC4(C)C)(C)C DR1776 CAS__NUM CAS 125533-88-2 DR1777 DRUG__ID DR1777 DR1777 DRUGNAME NSC-303812 DR1777 PUBCMCID 457964 DR1777 DFORMULA C20H34O4 DR1777 INCHIKEY NOFOAYPPHIUXJR-APNQCZIXSA-N DR1777 DRUINCHI 1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1 DR1777 CASMILES CC12CCC(C(C1CCC3C24CCC(C(C3)C4)(CO)O)(C)CO)O DR1777 CAS__NUM CAS 38966-21-1 DR1777 CHEBINUM 2766 DR1778 DRUG__ID DR1778 DR1778 DRUGNAME ATL-2502 DR1778 PUBCMCID 23675004 DR1778 TTDRUGID D0Z7MJ DR1778 DFORMULA C28H31NaO9S DR1778 INCHIKEY RWFZSORKWFPGNE-VDYYWZOJSA-M DR1778 DRUINCHI 1S/C28H32O9S.Na/c1-26-10-8-18(29)13-17(26)6-7-20-21-9-11-28(33,27(21,2)14-22(30)24(20)26)23(31)15-37-25(32)16-4-3-5-19(12-16)38(34,35)36;/h3-5,8,10,12-13,20-22,24,30,33H,6-7,9,11,14-15H2,1-2H3,(H,34,35,36);/q;+1/p-1/t20-,21-,22-,24+,26-,27-,28-;/m0./s1 DR1778 CASMILES CC12CC(C3C(C1CCC2(C(=O)COC(=O)C4=CC(=CC=C4)S(=O)(=O)[O-])O)CCC5=CC(=O)C=CC35C)O.[Na+] DR1778 CAS__NUM CAS 630-67-1 DR1779 DRUG__ID DR1779 DR1779 DRUGNAME GW-766994 DR1779 PUBCMCID 5311092 DR1779 TTDRUGID D0N2FI DR1779 DFORMULA C21H18N2O5 DR1779 INCHIKEY KOLBWAVLYDRUOC-IBGZPJMESA-N DR1779 DRUINCHI 1S/C21H18N2O5/c1-28-21(25)19(12-14-6-10-18(11-7-14)23(26)27)22-20(24)17-9-8-15-4-2-3-5-16(15)13-17/h2-11,13,19H,12H2,1H3,(H,22,24)/t19-/m0/s1 DR1779 CASMILES COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC3=CC=CC=C3C=C2 DR1779 PUBCMSID 7979258; 11056263; 39340812; 51954707; 114155241; 178100509; 179314476 DR1780 DRUG__ID DR1780 DR1780 DRUGNAME Norcisapride DR1780 PUBCMCID 3019427 DR1780 TTDRUGID D0K1SZ DR1780 DFORMULA C14H20ClN3O3 DR1780 INCHIKEY OMLDMGPCWMBPAN-UHFFFAOYSA-N DR1780 DRUINCHI 1S/C14H20ClN3O3/c1-20-12-6-10(16)9(15)5-8(12)14(19)18-11-3-4-17-7-13(11)21-2/h5-6,11,13,17H,3-4,7,16H2,1-2H3,(H,18,19) DR1780 CASMILES COC1CNCCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl DR1780 CAS__NUM CAS 84946-16-7 DR1781 DRUG__ID DR1781 DR1781 DRUGNAME BMS-488043 DR1781 PUBCMCID 507806 DR1781 TTDRUGID D09EVZ DR1781 DFORMULA C22H22N4O5 DR1781 INCHIKEY DBPMWRYLTBNCCE-UHFFFAOYSA-N DR1781 DRUINCHI 1S/C22H22N4O5/c1-30-16-13-24-20(31-2)18-17(16)15(12-23-18)19(27)22(29)26-10-8-25(9-11-26)21(28)14-6-4-3-5-7-14/h3-7,12-13,23H,8-11H2,1-2H3 DR1781 CASMILES COC1=CN=C(C2=C1C(=CN2)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4)OC DR1781 CAS__NUM CAS 452296-83-2 DR1781 PUBCMSID 808556; 8667250; 12015778; 15116651; 38692760; 51032133; 103539804; 104097911; 109733807; 135263037; 135264029; 142238999; 198989902; 228776552; 244826252; 248958930; 251963004; 252215025 DR1782 DRUG__ID DR1782 DR1782 DRUGNAME CJ-11974 DR1782 PUBCMCID 188927 DR1782 TTDRUGID D01TBN DR1782 DFORMULA C31H38N2O DR1782 INCHIKEY XPNMCDYOYIKVGB-CONSDPRKSA-N DR1782 DRUINCHI 1S/C31H38N2O/c1-22(2)26-14-15-28(34-3)27(20-26)21-32-30-25-16-18-33(19-17-25)31(30)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-15,20,22,25,29-32H,16-19,21H2,1-3H3/t30-,31-/m0/s1 DR1782 CASMILES CC(C)C1=CC(=C(C=C1)OC)CNC2C3CCN(C2C(C4=CC=CC=C4)C5=CC=CC=C5)CC3 DR1782 CAS__NUM CAS 147116-64-1 DR1782 PUBCMSID 14833513; 14931234; 16943245; 33510538; 50151433; 57396200; 103066084; 103080324; 103623465; 104111218; 113444847; 117534974; 129722546; 134340704; 135165523; 135958003; 142437557; 178102377; 179680024; 198946391; 226713777; 234513239 DR1783 DRUG__ID DR1783 DR1783 DRUGNAME BMY-42569 DR1783 PUBCMCID 177836 DR1783 TTDRUGID D00QXV DR1783 DFORMULA C20H24FN5O DR1783 INCHIKEY NRLXAYBZNVHRFL-UHFFFAOYSA-N DR1783 DRUINCHI 1S/C20H24FN5O/c1-27-19-13-22-14-24-20(19)26-9-7-25(8-10-26)6-2-3-15-12-23-18-5-4-16(21)11-17(15)18/h4-5,11-14,23H,2-3,6-10H2,1H3 DR1783 CASMILES COC1=CN=CN=C1N2CCN(CC2)CCCC3=CNC4=C3C=C(C=C4)F DR1783 PUBCMSID 14803935; 23920935; 33501191; 53787437; 78813413; 85210052; 104426709; 135650000; 135873853; 137998010; 142709069; 230293678 DR1784 DRUG__ID DR1784 DR1784 DRUGNAME INN-00835 DR1784 PUBCMCID 177265 DR1784 TTDRUGID D07GLF DR1784 DFORMULA C33H43FN10O6 DR1784 INCHIKEY PYBUXPIJUALBLW-RCNLLYRESA-N DR1784 DRUINCHI 1S/C33H43FN10O6/c34-20-9-7-18(8-10-20)12-23(35)29(47)44-32(50)27(13-19-15-39-24-5-2-1-4-22(19)24)42-28(46)17-41-30(48)25(6-3-11-38-33(36)37)43-31(49)26-14-21(45)16-40-26/h1-2,4-5,7-10,15,21,23,25-27,39-40,45H,3,6,11-14,16-17,35H2,(H,41,48)(H,42,46)(H,43,49)(H4,36,37,38)(H,44,47,50)/t21-,23+,25+,26+,27+/m1/s1 DR1784 CASMILES C1C(CNC1C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(=O)C(CC4=CC=C(C=C4)F)N)O DR1784 CAS__NUM CAS 173240-15-8 DR1784 PUBCMSID 33500733; 80560073; 104426252; 137263823; 226973350 DR1785 DRUG__ID DR1785 DR1785 DRUGNAME RS-8359 DR1785 PUBCMCID 164116 DR1785 TTDRUGID D06QOJ DR1785 DFORMULA C14H12N4O DR1785 INCHIKEY YKTSVZRWKHWINV-UHFFFAOYSA-N DR1785 DRUINCHI 1S/C14H12N4O/c15-7-9-1-3-10(4-2-9)18-14-11-5-6-12(19)13(11)16-8-17-14/h1-4,8,12,19H,5-6H2,(H,16,17,18) DR1785 CASMILES C1CC2=C(C1O)N=CN=C2NC3=CC=C(C=C3)C#N DR1785 CAS__NUM CAS 105365-76-2 DR1786 DRUG__ID DR1786 DR1786 DRUGNAME CP-529414 DR1786 PUBCMCID 159325 DR1786 TTDRUGID D07GDN DR1786 DFORMULA C26H25F9N2O4 DR1786 INCHIKEY CMSGWTNRGKRWGS-NQIIRXRSSA-N DR1786 DRUINCHI 1S/C26H25F9N2O4/c1-4-18-12-21(19-11-15(24(27,28)29)6-7-20(19)37(18)23(39)41-5-2)36(22(38)40-3)13-14-8-16(25(30,31)32)10-17(9-14)26(33,34)35/h6-11,18,21H,4-5,12-13H2,1-3H3/t18-,21+/m1/s1 DR1786 CASMILES CCC1CC(C2=C(N1C(=O)OCC)C=CC(=C2)C(F)(F)F)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC DR1786 CAS__NUM CAS 262352-17-0 DR1786 CHEBINUM 49203 DR1786 PUBCMSID 10253568; 12015506; 14838441; 14936147; 46234611; 47207853; 49742809; 50070566; 50071185; 52291545; 57348599; 103650003; 104147079; 113442144; 126680820; 127337898; 127337899; 127337900; 127337901; 131307890; 134338910; 135114738; 137249059; 140213212; 144080642; 152159602; 152344056; 162009744; 162011530; 162205057; 162224233; 163203030; 163884619; 164194110; 164339263; 164765659; 170502450; 174007268; 174528577; 179150237; 185978179; 198955213; 223395254; 223666373; 223704932; 223788005; 226432919; 241376851; 246105868; 251963040 DR1787 DRUG__ID DR1787 DR1787 DRUGNAME CBL-954 DR1787 PUBCMCID 89105 DR1787 TTDRUGID D07ZHV DR1787 DFORMULA C9H8N4O5 DR1787 INCHIKEY WOCXQMCIOTUMJV-UHFFFAOYSA-N DR1787 DRUINCHI 1S/C9H8N4O5/c10-9(14)5-3-7(11-1-2-11)8(13(17)18)4-6(5)12(15)16/h3-4H,1-2H2,(H2,10,14) DR1787 CASMILES C1CN1C2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-] DR1787 CAS__NUM CAS 21919-05-1 DR1787 PUBCMSID 411933; 822628; 5274718; 6436374; 7886475; 10223498; 11110923; 11404752; 14774371; 17404763; 24278301; 26714457; 44420234; 46500339; 46509068; 47193717; 47662830; 49875678; 50105941; 50105942; 53777306; 57309661; 57334580; 75479679; 85230965; 90341816; 92303533; 103141765; 103191314; 103918267; 104038062; 104398392; 117379122; 121360965; 124749537; 124800452; 124879594; 127316104; 127316105; 127316106; 127316107; 127316108; 127316109; 127316110; 129609567; 135045423; 137016521; 138030325; 160967301; 162816292 DR1788 DRUG__ID DR1788 DR1788 DRUGNAME CGP-11305A DR1788 PUBCMCID 44571 DR1788 TTDRUGID D0IZ1D DR1788 DFORMULA C14H16BrNO2 DR1788 INCHIKEY WZXHSWVDAYOFPE-UHFFFAOYSA-N DR1788 DRUINCHI 1S/C14H16BrNO2/c1-17-11-6-10-7-13(9-2-4-16-5-3-9)18-14(10)12(15)8-11/h6-9,16H,2-5H2,1H3 DR1788 CASMILES COC1=CC(=C2C(=C1)C=C(O2)C3CCNCC3)Br DR1788 CAS__NUM CAS 63638-91-5 DR1789 DRUG__ID DR1789 DR1789 DRUGNAME RD-4593 DR1789 PUBCMCID 7153 DR1789 TTDRUGID D0S5FQ DR1789 DFORMULA C10H11ClO3 DR1789 INCHIKEY WNTGYJSOUMFZEP-UHFFFAOYSA-N DR1789 DRUINCHI 1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2 DR1789 CASMILES CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O DR1789 CAS__NUM CAS 6640-24-0 DR1789 CHEBINUM 75704 DR1790 DRUG__ID DR1790 DR1790 DRUGNAME Putrescine DR1790 PUBCMCID 1045 DR1790 TTDRUGID D00FMV DR1790 DFORMULA C4H12N2 DR1790 INCHIKEY KIDHWZJUCRJVML-UHFFFAOYSA-N DR1790 DRUINCHI 1S/C4H12N2/c5-3-1-2-4-6/h1-6H2 DR1790 CASMILES C(CCN)CN DR1790 CAS__NUM CAS 110-60-1 DR1790 CHEBINUM 17148 DR1790 PUBCMSID 3434; 5825; 108539; 588366; 629781; 826882; 838778; 3132664; 7437577; 7890110; 8143681; 8150940; 10503860; 11111663; 11335891; 11361130; 11364540; 11367102; 11369664; 11372474; 11374072; 11377826; 11408821; 11462102; 11485705; 11489751; 11491013; 11492052; 11495460; 11537956; 15194199; 17436306; 24859702; 24859703; 24893255; 26702290; 26707434; 35229592; 38337057; 46261202; 46391410; 46392188; 46392191; 46506728; 47662300; 47959763; 48259246; 48259247; 49748476; 49895575 DR1791 DRUG__ID DR1791 DR1791 DRUGNAME NSC-149027 DR1791 PUBCMCID 135413497 DR1791 TTDRUGID D07RPR DR1791 DFORMULA C10H8BrN3O DR1791 INCHIKEY CIUUIPMOFZIWIZ-UHFFFAOYSA-N DR1791 DRUINCHI 1S/C10H8BrN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15) DR1791 CASMILES C1=CC=C(C=C1)C2=C(C(=O)NC(=N2)N)Br DR1791 CAS__NUM CAS 56741-95-8 DR1791 CHEBINUM 55345 DR1792 DRUG__ID DR1792 DR1792 DRUGNAME R-1439 DR1792 PUBCMCID 10274777 DR1792 TTDRUGID D0B9EN DR1792 DFORMULA C24H23NO5S DR1792 INCHIKEY DAYKLWSKQJBGCS-NRFANRHFSA-N DR1792 DRUINCHI 1S/C24H23NO5S/c1-15-19(25-23(30-15)16-6-4-3-5-7-16)10-12-29-20-9-8-17(14-21(28-2)24(26)27)22-18(20)11-13-31-22/h3-9,11,13,21H,10,12,14H2,1-2H3,(H,26,27)/t21-/m0/s1 DR1792 CASMILES CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=C4C=CSC4=C(C=C3)CC(C(=O)O)OC DR1792 CAS__NUM CAS 475479-34-6 DR1792 PUBCMSID 15279780; 22652721; 35445984; 74374212; 74374213; 74671516; 96025528; 99444954; 103652550; 104120360; 126665625; 134339048; 135216342; 136349978; 137156430; 141536129; 160969520; 163620807; 163686133; 170501031; 175427152; 176250129; 178103977; 185988952; 198964037; 215784940; 223535497; 223670924; 223800328; 226798862; 241083923; 245949369; 252477574 DR1793 DRUG__ID DR1793 DR1793 DRUGNAME LF-08-0299 DR1793 PUBCMCID 3086680 DR1793 TTDRUGID D0K0ZB DR1793 DFORMULA C17H37N7O3 DR1793 INCHIKEY LVBMFPUTQOHXQE-UHFFFAOYSA-N DR1793 DRUINCHI 1S/C17H37N7O3/c18-8-7-10-21-9-5-6-13-24-17(26)27-14-15(25)22-11-3-1-2-4-12-23-16(19)20/h21H,1-14,18H2,(H,22,25)(H,24,26)(H4,19,20,23) DR1793 CASMILES C(=N)(NCCCCCCNC(=O)COC(=O)NCCCCNCCCN)N DR1793 CAS__NUM CAS 160677-67-8 DR1794 DRUG__ID DR1794 DR1794 DRUGNAME GW-873140 DR1794 PUBCMCID 3001322 DR1794 TTDRUGID D0G6SZ DR1794 DFORMULA C33H43N3O6 DR1794 INCHIKEY GWNOTCOIYUNTQP-FQLXRVMXSA-N DR1794 DRUINCHI 1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1 DR1794 CASMILES CCCCN1C(=O)C(NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)C(=O)O)C(C5CCCCC5)O DR1794 CAS__NUM CAS 675184-11-9 DR1794 PUBCMSID 617581; 7842087; 10743060; 16567269; 34667159; 75593652; 111610875; 123098627; 124954238; 125086447; 135246722; 135649948; 137156477; 137263435; 139123524; 163347361; 198945612; 223709868; 223709869; 223709870; 223709943; 223709946; 223709947; 230493556; 248463159 DR1795 DRUG__ID DR1795 DR1795 DRUGNAME EPO-906 DR1795 PUBCMCID 448013 DR1795 TTDRUGID D0CV7Z DR1795 DFORMULA C27H41NO6S DR1795 INCHIKEY QXRSDHAAWVKZLJ-PVYNADRNSA-N DR1795 DRUINCHI 1S/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1 DR1795 CASMILES CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C)C DR1795 CAS__NUM CAS 11050-94-5 DR1795 CHEBINUM 31550 DR1795 PUBCMSID 14301; 520207; 830084; 7887332; 10300156; 12014962; 14762393; 14860221; 17424973; 24724475; 36553605; 49963244; 50125842; 57404848; 74380521; 80868833; 99437114; 103306054; 104638848; 124772091; 125163996; 126623079; 126671632; 131299984; 131333506; 131480855; 136367402; 136367813; 137262638; 142438244; 152090491; 152258740; 152344296; 160647585; 162011973; 162037563; 162172155; 164841003; 172125880; 177748943; 179117109; 184812277; 198964552; 221678840; 223404331; 223660093; 223702472; 226395914; 243996700;249719024 DR1796 DRUG__ID DR1796 DR1796 DRUGNAME TV-1203 DR1796 PUBCMCID 170345 DR1796 TTDRUGID D06SEY DR1796 DFORMULA C11H15NO4 DR1796 INCHIKEY NULMGOSOSZBEQL-QMMMGPOBSA-N DR1796 DRUINCHI 1S/C11H15NO4/c1-2-16-11(15)8(12)5-7-3-4-9(13)10(14)6-7/h3-4,6,8,13-14H,2,5,12H2,1H3/t8-/m0/s1 DR1796 CASMILES CCOC(=O)C(CC1=CC(=C(C=C1)O)O)N DR1796 CAS__NUM CAS 37178-37-3 DR1796 CHEBINUM 135971 DR1797 DRUG__ID DR1797 DR1797 DRUGNAME EGYT-3886 DR1797 PUBCMCID 119590 DR1797 TTDRUGID D0E6UA DR1797 DFORMULA C20H31NO DR1797 INCHIKEY QOBGWWQAMAPULA-RLLQIKCJSA-N DR1797 DRUINCHI 1S/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19-,20+/m1/s1 DR1797 CASMILES CC1(C2CCC1(C(C2)(C3=CC=CC=C3)OCCN(C)C)C)C DR1797 CAS__NUM CAS 120444-71-5 DR1797 PUBCMSID 16241831; 29300432; 50064251; 57339571; 74485793; 135107097; 136292470; 137147719; 144235383; 160697964; 163305281; 176251686; 178102137; 179149694; 198935447; 219813681; 223609753; 223957136; 226857741; 252215266 DR1798 DRUG__ID DR1798 DR1798 DRUGNAME R-58735 DR1798 PUBCMCID 59823 DR1798 TTDRUGID D00NGN DR1798 DFORMULA C22H26FN3O2S DR1798 INCHIKEY IGMKTIJBFUMVIN-UHFFFAOYSA-N DR1798 DRUINCHI 1S/C22H26FN3O2S/c1-25(22-24-20-4-2-3-5-21(20)29-22)17-10-12-26(13-11-17)14-18(27)15-28-19-8-6-16(23)7-9-19/h2-9,17-18,27H,10-15H2,1H3 DR1798 CASMILES CN(C1CCN(CC1)CC(COC2=CC=C(C=C2)F)O)C3=NC4=CC=CC=C4S3 DR1798 CAS__NUM CAS 104383-17-7 DR1799 DRUG__ID DR1799 DR1799 DRUGNAME H3B-6545 DR1799 PUBCMCID 124091040 DR1799 TTDRUGID D0Z5VW DR1799 DFORMULA C30H29F4N5O2 DR1799 INCHIKEY JPFTZIJTXCHJNE-HMOQVRKWSA-N DR1799 DRUINCHI 1S/C30H29F4N5O2/c1-39(2)27(40)9-6-14-35-15-16-41-26-13-11-22(19-36-26)28(21-10-12-25-23(17-21)29(31)38-37-25)24(18-30(32,33)34)20-7-4-3-5-8-20/h3-13,17,19,35H,14-16,18H2,1-2H3,(H,37,38)/b9-6+,28-24- DR1799 CASMILES CN(C)C(=O)C=CCNCCOC1=NC=C(C=C1)C(=C(CC(F)(F)F)C2=CC=CC=C2)C3=CC4=C(NN=C4C=C3)F DR1799 CAS__NUM CAS 2052130-80-8 DR1800 DRUG__ID DR1800 DR1800 DRUGNAME H3B-6527 DR1800 PUBCMCID 118029202 DR1800 TTDRUGID D0D6XT DR1800 DFORMULA C29H34Cl2N8O4 DR1800 INCHIKEY MBWRLLRCTIYXDW-UHFFFAOYSA-N DR1800 DRUINCHI 1S/C29H34Cl2N8O4/c1-6-25(40)35-20-14-18(39-12-10-38(7-2)11-13-39)8-9-19(20)34-23-16-24(33-17-32-23)37(3)29(41)36-28-26(30)21(42-4)15-22(43-5)27(28)31/h6,8-9,14-17H,1,7,10-13H2,2-5H3,(H,35,40)(H,36,41)(H,32,33,34) DR1800 CASMILES CCN1CCN(CC1)C2=CC(=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl)NC(=O)C=C DR1800 CAS__NUM CAS 1702259-66-2 DR1801 DRUG__ID DR1801 DR1801 DRUGNAME AZD-9496 DR1801 PUBCMCID 86287635 DR1801 TTDRUGID D0X1OW DR1801 DFORMULA C25H25F3N2O2 DR1801 INCHIKEY DFBDRVGWBHBJNR-BBNFHIFMSA-N DR1801 DRUINCHI 1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1 DR1801 CASMILES CC1CC2=C(C(N1CC(C)(C)F)C3=C(C=C(C=C3F)C=CC(=O)O)F)NC4=CC=CC=C24 DR1801 CAS__NUM CAS 1639042-08-2 DR1802 DRUG__ID DR1802 DR1802 DRUGNAME SGX-523 DR1802 PUBCMCID 73755144 DR1802 TTDRUGID D0ZU5F DR1802 DFORMULA C18H13N7S DR1802 INCHIKEY DLQHWTQHNQBZRQ-UHFFFAOYSA-N DR1802 DRUINCHI 1S/C18H13N7S/c1-24-11-12(10-20-24)14-7-8-17-21-22-18(25(17)23-14)26-16-6-2-5-15-13(16)4-3-9-19-15/h2-11H,1H3 DR1802 CASMILES CN1C=C(C=N1)C2=NN3C(=NN=C3SC4=CC=CC5=C4C=CC=N5)C=C2 DR1802 PUBCMSID 200000000 DR1803 DRUG__ID DR1803 DR1803 DRUGNAME AZD-3839 DR1803 PUBCMCID 60210951 DR1803 TTDRUGID D04OSA DR1803 DFORMULA C24H18F3N5 DR1803 INCHIKEY QXKYWSDUVAJHNZ-CGAIIQECSA-N DR1803 DRUINCHI 1S/C24H18F3N5/c25-19-6-2-5-18-21(19)23(28)32-24(18,17-7-8-31-20(10-17)22(26)27)16-4-1-3-14(9-16)15-11-29-13-30-12-15/h1-13,22-23,32H,28H2/t23?,24-/m0/s1 DR1803 CASMILES C1=CC(=CC(=C1)C2(C3=C(C(N2)N)C(=CC=C3)F)C4=CC(=NC=C4)C(F)F)C5=CN=CN=C5 DR1803 PUBCMSID 144241748; 178103513; 208012738 DR1804 DRUG__ID DR1804 DR1804 DRUGNAME ITX-5061 DR1804 PUBCMCID 56843466 DR1804 TTDRUGID D0TX5P DR1804 DFORMULA C30H38ClN3O7S DR1804 INCHIKEY ICIJBYYMEBOTQP-UHFFFAOYSA-N DR1804 DRUINCHI 1S/C30H37N3O7S.ClH/c1-30(2,3)20-18-24(28(38-4)25(19-20)32-41(5,36)37)31-29(35)27(34)23-10-11-26(22-9-7-6-8-21(22)23)40-17-14-33-12-15-39-16-13-33;/h6-11,18-19,32H,12-17H2,1-5H3,(H,31,35);1H DR1804 CASMILES CC(C)(C)C1=CC(=C(C(=C1)NS(=O)(=O)C)OC)NC(=O)C(=O)C2=CC=C(C3=CC=CC=C32)OCCN4CCOCC4.Cl DR1804 CAS__NUM CAS 1252679-52-9 DR1804 PUBCMSID 135267613; 198948416 DR1805 DRUG__ID DR1805 DR1805 DRUGNAME HSP-990 DR1805 PUBCMCID 46216556 DR1805 TTDRUGID D0K5BP DR1805 DFORMULA C20H18FN5O2 DR1805 INCHIKEY WSMQUUGTQYPVPD-OAHLLOKOSA-N DR1805 DRUINCHI 1S/C20H18FN5O2/c1-10-18-16(26-20(22)23-10)9-15(25-19(18)27)12-7-6-11(21)8-13(12)14-4-3-5-17(24-14)28-2/h3-8,15H,9H2,1-2H3,(H,25,27)(H2,22,23,26)/t15-/m1/s1 DR1805 CASMILES CC1=C2C(=NC(=N1)N)CC(NC2=O)C3=C(C=C(C=C3)F)C4=NC(=CC=C4)OC DR1805 CAS__NUM CAS 934343-74-5 DR1805 PUBCMSID 96070909; 120480897; 136920357; 136946398; 137037402; 140563242; 144116301; 172650605; 186000974; 198968137; 211034684; 223367201; 227570856; 244872166; 249617120; 249814491; 252451799; 252472803 DR1806 DRUG__ID DR1806 DR1806 DRUGNAME MK-7246 DR1806 PUBCMCID 45268455 DR1806 TTDRUGID D0I3TU DR1806 DFORMULA C21H21FN2O4S DR1806 INCHIKEY JTCAGRAKUAAYDY-OAHLLOKOSA-N DR1806 DRUINCHI 1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-21(25)26)17-4-2-3-5-19(17)24(20)13-15/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1 DR1806 CASMILES CN(C1CCC2=C(C3=CC=CC=C3N2C1)CC(=O)O)S(=O)(=O)C4=CC=C(C=C4)F DR1806 CAS__NUM CAS 1218918-62-7 DR1807 DRUG__ID DR1807 DR1807 DRUGNAME LY-2811376 DR1807 PUBCMCID 44251605 DR1807 TTDRUGID D0N1BF DR1807 DFORMULA C15H14F2N4S DR1807 INCHIKEY MJQMRGWYPNIERM-HNNXBMFYSA-N DR1807 DRUINCHI 1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1 DR1807 CASMILES CC1(CCSC(=N1)N)C2=C(C=C(C(=C2)C3=CN=CN=C3)F)F DR1807 CAS__NUM CAS 1194044-20-6 DR1807 PUBCMSID 85286240; 89983742; 99437206; 103924885; 137986191; 140419282; 144116165; 144236995; 160828708; 162011703; 162205125; 163093680; 163390266; 163620704; 163686021; 163842305; 164135005; 164193941; 172086121; 174006688; 174526511; 178103518; 184816523; 188899592; 204429761; 223378259; 223621253; 223705125; 224326043; 227634630; 242586937; 247529799; 249730473; 249807610; 249855753; 250200952; 251910650; 251963140; 252069907; 252109923; 252160837; 252444081; 252451578 DR1808 DRUG__ID DR1808 DR1808 DRUGNAME SPC-100270 DR1808 PUBCMCID 3058739 DR1808 TTDRUGID D07CAQ DR1808 DFORMULA C18H39NO2 DR1808 INCHIKEY OTKJDMGTUTTYMP-ROUUACIJSA-N DR1808 DRUINCHI 1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18-/m0/s1 DR1808 CASMILES CCCCCCCCCCCCCCCC(C(CO)N)O DR1808 CAS__NUM CAS 15639-50-6 DR1809 DRUG__ID DR1809 DR1809 DRUGNAME MP-513 DR1809 PUBCMCID 11949652 DR1809 TTDRUGID D07EPV DR1809 DFORMULA C22H30N6OS DR1809 INCHIKEY WGRQANOPCQRCME-PMACEKPBSA-N DR1809 DRUINCHI 1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1 DR1809 CASMILES CC1=NN(C(=C1)N2CCN(CC2)C3CC(NC3)C(=O)N4CCSC4)C5=CC=CC=C5 DR1809 CAS__NUM CAS 760937-92-6 DR1809 CHEBINUM 136042 DR1809 PUBCMSID 17390993; 24477456; 35020542; 80852136; 96025300; 126671556; 135262329; 137179501; 137460776; 152136343; 152258607; 160647441; 163319882; 163340589; 185970860; 198988098; 223680878; 224304487; 226524787; 242679293; 251971018; 252216392; 252439082; 252481245 DR1810 DRUG__ID DR1810 DR1810 DRUGNAME MLN-8054 DR1810 PUBCMCID 11712649 DR1810 TTDRUGID D0A5MC DR1810 DFORMULA C25H15ClF2N4O2 DR1810 INCHIKEY HHFBDROWDBDFBR-UHFFFAOYSA-N DR1810 DRUINCHI 1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32) DR1810 CASMILES CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=N[N-]4)CO)Cl.[K+] DR1810 CAS__NUM CAS 869363-13-3 DR1810 CHEBINUM 91366 DR1810 PUBCMSID 16817521; 23803070; 50100109; 75812624; 85240458; 87325745; 92728686; 103565670; 103904597; 117695998; 123055394; 124756998; 125163803; 131480681; 134338844; 134964414; 135686180; 135686181; 135686202; 135686203; 136340201; 136367298; 136920349; 137242800; 137739931; 152258105; 152344040; 160646944; 162011816; 162037433; 162723440; 163642777; 164193990; 164763083; 170496031; 174006403; 174531092; 177749042; 178102323; 180190865; 186022471; 198945325; 215776778; 223258872; 223579841; 223704701; 225331045; 226922686; 242059849; 244479327 DR1811 DRUG__ID DR1811 DR1811 DRUGNAME YP-005 DR1811 PUBCMCID 5283560 DR1811 TTDRUGID D07UGA DR1811 DFORMULA C18H38NO5P DR1811 INCHIKEY DUYSYHSSBDVJSM-KRWOKUGFSA-N DR1811 DRUINCHI 1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1 DR1811 CASMILES CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)N)O DR1811 CAS__NUM CAS 26993-30-6 DR1811 CHEBINUM 37550 DR1811 PUBCMSID 8381; 841938; 3153153; 4266347; 11039024; 11538026; 14853517; 14902393; 24893757; 24899853; 26754964; 26754965;26759550; 29214822; 39316963; 47736194; 50069271; 53790239; 56310719; 56314086; 56314115; 57358934; 79196702; 85230694; 91616005; 99431555; 103513044; 104045126; 104046551; 112629138; 113860431; 123055038; 135061792; 135651563; 137123351; 141225271; 144107094; 162223883; 163687305; 164808502; 175443701; 179205494; 226395983; 228659508; 241182370; 241375387; 250135272; 252467313 DR1812 DRUG__ID DR1812 DR1812 DRUGNAME BRS-640 DR1812 PUBCMCID 439201 DR1812 TTDRUGID D0X0BI DR1812 DFORMULA C50H73N15O11 DR1812 INCHIKEY QXZGBUJJYSLZLT-FDISYFBBSA-N DR1812 DRUINCHI 1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 DR1812 CASMILES C1CC(N(C1)C(=O)C2CCCN2C(=O)C(CCCN=C(N)N)N)C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)NC(CO)C(=O)N4CCCC4C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CCCN=C(N)N)C(=O)O DR1812 CAS__NUM CAS 58-82-2 DR1812 CHEBINUM 3165 DR1812 PUBCMSID 3600; 841468; 3139670; 7978810; 15090019; 36883455; 50112435; 50849217; 53789586; 91689969; 93581329; 103279772; 103980149; 104619886; 126525053; 134341811; 135651637; 137019791; 137255716; 137275542; 162220561; 164779222; 184605781; 198973777; 224949119; 229099223; 241108945; 241376207; 247680280; 249727084; 252156939 DR1813 DRUG__ID DR1813 DR1813 DRUGNAME TAS-103 DR1813 PUBCMCID 135413533 DR1813 TTDRUGID D0E2LA DR1813 DFORMULA C20H19N3O2 DR1813 INCHIKEY ROWSTIYZUWEOMM-UHFFFAOYSA-N DR1813 DRUINCHI 1S/C20H19N3O2/c1-23(2)10-9-21-20-18-17(13-5-3-4-6-14(13)19(18)25)15-8-7-12(24)11-16(15)22-20/h3-8,11,24H,9-10H2,1-2H3,(H,21,22) DR1813 CASMILES CN(C)CCNC1=NC2=C(C=CC(=C2)O)C3=C1C(=O)C4=CC=CC=C43 DR1813 CAS__NUM CAS 174634-08-3 DR1814 DRUG__ID DR1814 DR1814 DRUGNAME GTPL-1666 DR1814 PUBCMCID 128563 DR1814 TTDRUGID D06EXA DR1814 DFORMULA C23H28O8 DR1814 INCHIKEY OBSYBRPAKCASQB-AGQYDFLVSA-N DR1814 DRUINCHI 1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1 DR1814 CASMILES CC(=O)OC1CC(C2(CCC3C(=O)OC(CC3(C2C1=O)C)C4=COC=C4)C)C(=O)OC DR1814 CAS__NUM CAS 83729-01-5 DR1814 CHEBINUM 67900 DR1814 PUBCMSID 841714; 10242083; 16381046; 24899776; 29307586; 47437902; 50067596; 50111292; 57342629; 78263362; 103457931; 104045748; 104368418; 121501581; 134221828; 134342542; 135085570; 135652714; 137248535; 143385099; 160711073; 162223660; 163311939; 170485795; 175611615; 177748824; 198941395; 224003872; 226424572; 241146906; 246472304 DR1815 DRUG__ID DR1815 DR1815 DRUGNAME ANW-60941 DR1815 PUBCMCID 135611162 DR1815 TTDRUGID D07OZR DR1815 DFORMULA C24H29FN6O5 DR1815 INCHIKEY QDPVYZNVVQQULH-UHFFFAOYSA-N DR1815 DRUINCHI 1S/C21H21FN6O.C3H6O3.H2O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29;1-2(4)3(5)6;/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29);2,4H,1H3,(H,5,6);1H2 DR1815 CASMILES CC(C(=O)O)O.CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N.O DR1815 CAS__NUM CAS 915769-50-5 DR1816 DRUG__ID DR1816 DR1816 DRUGNAME LY-2940680 DR1816 PUBCMCID 49848070 DR1816 TTDRUGID D0W0SL DR1816 DFORMULA C26H24F4N6O DR1816 INCHIKEY SZBGQDXLNMELTB-UHFFFAOYSA-N DR1816 DRUINCHI 1S/C26H24F4N6O/c1-34(25(37)20-8-7-16(27)15-21(20)26(28,29)30)17-10-13-36(14-11-17)24-19-6-4-3-5-18(19)23(32-33-24)22-9-12-31-35(22)2/h3-9,12,15,17H,10-11,13-14H2,1-2H3 DR1816 CASMILES CN1C(=CC=N1)C2=NN=C(C3=CC=CC=C32)N4CCC(CC4)N(C)C(=O)C5=C(C=C(C=C5)F)C(F)(F)F DR1816 CAS__NUM CAS 1258861-20-9 DR1816 PUBCMSID 104176324; 121139787; 136340242; 136348732; 136367587; 137276014; 141374772; 144116170; 152258481; 160647316; 162011773; 162038053; 162163233; 162202792; 163831677; 174494770; 174527001; 185990483; 189622858; 196408582; 198968197; 223391308; 223705123; 224461079; 228265210; 245597767; 251910779; 252110150; 252160815 DR1817 DRUG__ID DR1817 DR1817 DRUGNAME Eribulin mesylate DR1817 PUBCMCID 17755248 DR1817 TTDRUGID D0XQ5X DR1817 DFORMULA C41H63NO14S DR1817 INCHIKEY QAMYWGZHLCQOOJ-WRNBYXCMSA-N DR1817 DRUINCHI 1S/C40H59NO11.CH4O3S/c1-19-11-24-5-7-28-20(2)12-26(45-28)9-10-40-17-33-36(51-40)37-38(50-33)39(52-40)35-29(49-37)8-6-25(47-35)13-22(42)14-27-31(16-30(46-24)21(19)3)48-32(34(27)44-4)15-23(43)18-41;1-5(2,3)4/h19,23-39,43H,2-3,5-18,41H2,1,4H3;1H3,(H,2,3,4)/t19-,23+,24+,25-,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+;/m1./s1 DR1817 CASMILES CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)CC9C(CC(C1=C)O2)OC(C9OC)CC(CN)O.CS(=O)(=O)O DR1817 CAS__NUM CAS 441045-17-6 DR1817 CHEBINUM 70710 DR1818 DRUG__ID DR1818 DR1818 DRUGNAME SB-1317 DR1818 PUBCMCID 16739650 DR1818 TTDRUGID D0P0KN DR1818 DFORMULA C23H24N4O DR1818 INCHIKEY VXBAJLGYBMTJCY-NSCUHMNNSA-N DR1818 DRUINCHI 1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+ DR1818 CASMILES CN1CC=CCCOC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C1 DR1818 CAS__NUM CAS 1204918-72-8 DR1818 PUBCMSID 26698510; 46148847; 136923474; 136967258; 137926659; 152258630; 160647465; 172919550; 185990486; 223405965; 227098343; 228421311; 252451715; 252480863 DR1819 DRUG__ID DR1819 DR1819 DRUGNAME CC-223 DR1819 PUBCMCID 9848159 DR1819 TTDRUGID D05EXN DR1819 DFORMULA C20H27Cl3F2N4O DR1819 INCHIKEY WSBRAHWNJBXXJM-UHFFFAOYSA-N DR1819 DRUINCHI 1S/C20H24F2N4O.3ClH/c1-14-2-3-15(13-26-8-6-23-7-9-26)10-19(14)25-20(27)12-24-16-4-5-17(21)18(22)11-16;;;/h2-5,10-11,23-24H,6-9,12-13H2,1H3,(H,25,27);3*1H DR1819 CASMILES CC1=C(C=C(C=C1)CN2CCNCC2)NC(=O)CNC3=CC(=C(C=C3)F)F.Cl.Cl.Cl DR1819 CAS__NUM CAS 309712-55-8 DR1819 PUBCMSID 14810231; 24144813; 44946225; 77385545; 135698883; 136340360; 136349490; 136367621; 136946671; 144116039; 162011571; 162202754; 162205172; 163124956; 163620908; 163686229; 189561523; 196374190; 204371566; 225111975; 241376429; 252157247; 252160612 DR1820 DRUG__ID DR1820 DR1820 DRUGNAME ZK-299 DR1820 PUBCMCID 5311505 DR1820 TTDRUGID D07MON DR1820 DFORMULA C29H39NO3 DR1820 INCHIKEY IEXUMDBQLIVNHZ-YOUGDJEHSA-N DR1820 DRUINCHI 1S/C29H39NO3/c1-28-18-25(19-5-8-21(9-6-19)30(2)3)27-23-12-10-22(32)17-20(23)7-11-24(27)26(28)13-15-29(28,33)14-4-16-31/h5-6,8-9,17,24-26,31,33H,4,7,10-16,18H2,1-3H3/t24-,25+,26-,28+,29+/m0/s1 DR1820 CASMILES CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(CCCO)O)C5=CC=C(C=C5)N(C)C DR1820 CAS__NUM CAS 96346-61-1 DR1820 PUBCMSID 7980914; 11056548; 12013541; 14857593; 14881951; 39341170; 49965771; 53787493; 76459509; 114156235; 124490311; 135016552;135650760; 136946112; 140852942; 160845660; 162179251; 164786732; 179151473; 198987362; 226399859; 241167836; 244262591; 252355542; 252818373 DR1821 DRUG__ID DR1821 DR1821 DRUGNAME PTX-200 DR1821 PUBCMCID 290486 DR1821 TTDRUGID D04GSV DR1821 DFORMULA C13H16N6O4 DR1821 INCHIKEY HOGVTUZUJGHKPL-UHFFFAOYSA-N DR1821 DRUINCHI 1S/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17) DR1821 CASMILES CN1C2=NC=NC3=C2C(=CN3C4C(C(C(O4)CO)O)O)C(=N1)N DR1821 CAS__NUM CAS 35943-35-2 DR1821 CHEBINUM 91697 DR1821 PUBCMSID 433272; 7536840; 8137167; 10319591; 11405486; 26758185; 34830899; 48020051; 57401183; 75128850; 85787232; 92764035; 99302615; 103145651; 104484119; 117619685; 125824212; 126483830; 128089449; 144224089; 162023335; 163688643; 175607388; 178102543; 179236156; 226442964; 242487231 DR1822 DRUG__ID DR1822 DR1822 DRUGNAME TMC-120 DR1822 PUBCMCID 214347 DR1822 TTDRUGID D0DC6U DR1822 DFORMULA C20H19N5 DR1822 INCHIKEY ILAYIAGXTHKHNT-UHFFFAOYSA-N DR1822 DRUINCHI 1S/C20H19N5/c1-13-10-14(2)19(15(3)11-13)24-18-8-9-22-20(25-18)23-17-6-4-16(12-21)5-7-17/h4-11H,1-3H3,(H2,22,23,24,25) DR1822 CASMILES CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C DR1822 CAS__NUM CAS 244767-67-7 DR1822 PUBCMSID 642581; 832334; 7890844; 9371781; 14826606; 30418382; 57304387; 57399694; 58107209; 74755470; 87360616; 99445110; 103269662; 103819222; 113456437; 117514641; 118310899; 128183411; 134339251; 135129476; 137098215; 139360977; 160969668; 162009845; 162011984; 162205059; 163658445; 164838828; 172096442; 196408561; 198967137; 210275071; 210280709; 219070854; 223404305; 223485471; 223738760; 226714093; 242060328; 252125394; 252160229; 252215246; 252435536; 252450480 DR1823 DRUG__ID DR1823 DR1823 DRUGNAME RG-7916 DR1823 PUBCMCID 118513932 DR1823 TTDRUGID D0N5MH DR1823 DFORMULA C22H23N7O DR1823 INCHIKEY ASKZRYGFUPSJPN-UHFFFAOYSA-N DR1823 DRUINCHI 1S/C22H23N7O/c1-14-9-18(26-29-11-15(2)24-21(14)29)17-10-20(30)28-12-16(3-4-19(28)25-17)27-8-7-23-22(13-27)5-6-22/h3-4,9-12,23H,5-8,13H2,1-2H3 DR1823 CASMILES CC1=CC(=NN2C1=NC(=C2)C)C3=CC(=O)N4C=C(C=CC4=N3)N5CCNC6(C5)CC6 DR1823 CAS__NUM CAS 1825352-65-5 DR1824 DRUG__ID DR1824 DR1824 DRUGNAME GSK-1278863 DR1824 PUBCMCID 91617630 DR1824 TTDRUGID D0F6JC DR1824 DFORMULA C19H27N3O6 DR1824 INCHIKEY RUEYEZADQJCKGV-UHFFFAOYSA-N DR1824 DRUINCHI 1S/C19H27N3O6/c23-14(24)11-20-16(25)15-17(26)21(12-7-3-1-4-8-12)19(28)22(18(15)27)13-9-5-2-6-10-13/h12-13,15H,1-11H2,(H,20,25)(H,23,24) DR1824 CASMILES C1CCC(CC1)N2C(=O)C(C(=O)N(C2=O)C3CCCCC3)C(=O)NCC(=O)O DR1824 CAS__NUM CAS 960539-70-2 DR1824 PUBCMSID 249492203; 249807670; 252166665 DR1825 DRUG__ID DR1825 DR1825 DRUGNAME UK-453,061 DR1825 PUBCMCID 16739244 DR1825 TTDRUGID D08SSP DR1825 DFORMULA C17H18N4O2 DR1825 INCHIKEY MCPUZZJBAHRIPO-UHFFFAOYSA-N DR1825 DRUINCHI 1S/C17H18N4O2/c1-3-15-17(16(4-2)21(20-15)5-6-22)23-14-8-12(10-18)7-13(9-14)11-19/h7-9,22H,3-6H2,1-2H3 DR1825 CASMILES CCC1=C(C(=NN1CCO)CC)OC2=CC(=CC(=C2)C#N)C#N DR1825 CAS__NUM CAS 473921-12-9 DR1826 DRUG__ID DR1826 DR1826 DRUGNAME EZN-2208 DR1826 PUBCMCID 59443782 DR1826 TTDRUGID D05UFP DR1826 DFORMULA C118H122N12O37 DR1826 INCHIKEY CXWRXYDTWCBSJF-DPTNTHPESA-N DR1826 DRUINCHI 1S/C118H122N12O37/c1-9-67-71-33-61(131)17-21-87(71)123-103-75(67)45-127-91(103)37-83-79(107(127)143)53-160-111(147)115(83,13-5)164-99(139)41-119-95(135)57-153-27-25-151-49-65(158-31-29-155-59-97(137)121-43-101(141)166-117(15-7)85-39-93-105-77(47-129(93)109(145)81(85)55-162-113(117)149)69(11-3)73-35-63(133)19-23-89(73)125-105)51-157-52-66(159-32-30-156-60-98(138)122-44-102(142)167-118(16-8)86-40-94-106-78(48-130(94)110(146)82(86)56-163-114(118)150)70(12-4)74-36-64(134)20-24-90(74)126-106)50-152-26-28-154-58-96(136)120-42-100(140)165-116(14-6)84-38-92-104-76(46-128(92)108(144)80(84)54-161-112(116)148)68(10-2)72-34-62(132)18-22-88(72)124-104/h17-24,33-40,65-66,131-134H,9-16,25-32,41-60H2,1-8H3,(H,119,135)(H,120,136)(H,121,137)(H,122,138)/t65?,66?,115-,116-,117-,118-/m0/s1 DR1826 CASMILES CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)OC(=O)CNC(=O)COCCOCC(COCC(COCCOCC(=O)NCC(=O)OC5(C6=C(COC5=O)C(=O)N7CC8=C(C9=C(C=CC(=C9)O)N=C8C7=C6)CC)CC)OCCOCC(=O)NCC(=O)OC3(C4=C(COC3=O)C(=O)N3CC5=C(C6=C(C=CC(=C6)O)N=C5C3=C4)CC)CC)OCCOCC(=O)NCC(=O)OC3(C4=C(COC3=O)C(=O)N3CC5=C(C6=C(C=CC(=C6)O)N=C5C3=C4)CC)CC)C2=NC2=C1C=C(C=C2)O DR1826 CAS__NUM CAS 946062-05-1 DR1826 PUBCMSID 141021587; 162169447; 172232557; 238214699; 248572631 DR1827 DRUG__ID DR1827 DR1827 DRUGNAME ICN-2001-3 DR1827 PUBCMCID 9604654 DR1827 TTDRUGID D0D5CY DR1827 DFORMULA C17H19ClN5O4P DR1827 INCHIKEY GWNHAOBXDGOXRR-HJFSHJIFSA-N DR1827 DRUINCHI 1S/C17H19ClN5O4P/c18-13-3-1-2-12(8-13)14-4-6-26-28(24,27-14)11-25-7-5-23-10-22-15-16(19)20-9-21-17(15)23/h1-3,8-10,14H,4-7,11H2,(H2,19,20,21)/t14-,28+/m0/s1 DR1827 CASMILES C1COP(=O)(OC1C2=CC(=CC=C2)Cl)COCCN3C=NC4=C(N=CN=C43)N DR1827 CAS__NUM CAS 625095-60-5 DR1828 DRUG__ID DR1828 DR1828 DRUGNAME SSR-97193 DR1828 PUBCMCID 56841801 DR1828 TTDRUGID D0I6YM DR1828 DFORMULA C23H24ClFeN3 DR1828 INCHIKEY DLYPREQTTOHKSM-UHFFFAOYSA-N DR1828 DRUINCHI 1S/C18H19ClN3.C5H5.Fe/c1-22(2)12-14-5-3-4-13(14)11-21-17-8-9-20-18-10-15(19)6-7-16(17)18;1-2-4-5-3-1;/h4,6-10H,5,11-12H2,1-2H3,(H,20,21);1-3H,4H2;/q2*-1;+2 DR1828 CASMILES CN(C)CC1=C(C=[C-]C1)CNC2=C3C=CC(=CC3=NC=C2)Cl.C1C=CC=[C-]1.[Fe+2] DR1828 CAS__NUM CAS 185055-67-8 DR1828 PUBCMSID 100000000 DR1829 DRUG__ID DR1829 DR1829 DRUGNAME GSK-1265744 DR1829 PUBCMCID 54713659 DR1829 TTDRUGID D08LDB DR1829 DFORMULA C19H17F2N3O5 DR1829 INCHIKEY WCWSTNLSLKSJPK-LKFCYVNXSA-N DR1829 DRUINCHI 1S/C19H17F2N3O5/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27)/t9-,14+/m0/s1 DR1829 CASMILES CC1COC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O DR1829 CAS__NUM CAS 1051375-10-0 DR1829 PUBCMSID 17424254; 36462227; 76221742; 138088923; 162108745; 174502414; 198940204; 198993890; 226461534; 244829189; 249732325 DR1830 DRUG__ID DR1830 DR1830 DRUGNAME BC-3781 DR1830 PUBCMCID 52918381 DR1830 TTDRUGID D00WZK DR1830 DFORMULA C28H45NO5S DR1830 INCHIKEY KPVIXBKIJXZQJX-IJUBVZAWSA-N DR1830 DRUINCHI 1S/C28H45NO5S/c1-6-26(4)14-22(34-23(32)15-35-21-8-7-18(29)13-20(21)31)27(5)16(2)9-11-28(17(3)25(26)33)12-10-19(30)24(27)28/h6,16-18,20-22,24-25,31,33H,1,7-15,29H2,2-5H3/t16-,17+,18?,20?,21?,22-,24+,25+,26-,27+,28+/m1/s1 DR1830 CASMILES CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC4CCC(CC4O)N)C DR1830 CAS__NUM CAS 1061872-97-6 DR1830 PUBCMSID 123055421; 136336688 DR1831 DRUG__ID DR1831 DR1831 DRUGNAME BAY-1002670 DR1831 PUBCMCID 50915138 DR1831 TTDRUGID D07YGK DR1831 DFORMULA C27H29F5O4S DR1831 INCHIKEY JUFWQQVHQFDUOD-ANRPBIDPSA-N DR1831 DRUINCHI 1S/C27H29F5O4S/c1-24-14-21(15-3-7-18(8-4-15)37(2,35)36)23-19-10-6-17(33)13-16(19)5-9-20(23)22(24)11-12-25(24,34)26(28,29)27(30,31)32/h3-4,7-8,13,20-22,34H,5-6,9-12,14H2,1-2H3/t20-,21+,22-,24-,25-/m0/s1 DR1831 CASMILES CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(C(C(F)(F)F)(F)F)O)C5=CC=C(C=C5)S(=O)(=O)C DR1831 CAS__NUM CAS 1262108-14-4 DR1831 PUBCMSID 113031405; 172650836; 198985445; 228259220 DR1832 DRUG__ID DR1832 DR1832 DRUGNAME SB-939 DR1832 PUBCMCID 49855250 DR1832 TTDRUGID D0L2UQ DR1832 DFORMULA C20H30N4O2 DR1832 INCHIKEY JHDKZFFAIZKUCU-ZRDIBKRKSA-N DR1832 DRUINCHI 1S/C20H30N4O2/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+ DR1832 CASMILES CCCCC1=NC2=C(N1CCN(CC)CC)C=CC(=C2)C=CC(=O)NO DR1832 CAS__NUM CAS 929016-96-6 DR1832 CHEBINUM 95071 DR1832 PUBCMSID 104253187; 121142796; 124757307; 125164111; 131480903; 134964553; 135264258; 136340267; 136359913; 136367450; 136920413; 137055167; 137390461; 140705810; 152258538; 160647372; 162011419; 162037638; 162202712; 163668154; 164193974; 172659608; 174520548; 174531534; 185973726; 188899586; 198945398; 202535654; 223366695; 223388553; 223705232; 227106278; 251963214; 252110018; 252160441; 252166577; 252216278; 252451771 DR1833 DRUG__ID DR1833 DR1833 DRUGNAME MK-3118 DR1833 PUBCMCID 46871657 DR1833 TTDRUGID D0GW6Q DR1833 DFORMULA C44H67N5O4 DR1833 INCHIKEY BODYFEUFKHPRCK-ZCZMVWJSSA-N DR1833 DRUINCHI 1S/C44H67N5O4/c1-27(2)28(3)39(7)18-19-41(9)30-12-13-33-40(8)23-52-25-44(33,31(30)14-17-42(41,10)34(39)37(50)51)22-32(35(40)53-24-43(11,45)38(4,5)6)49-36(47-26-48-49)29-15-20-46-21-16-29/h14-16,20-21,26-28,30,32-35H,12-13,17-19,22-25,45H2,1-11H3,(H,50,51)/t28-,30+,32-,33+,34-,35+,39-,40-,41-,42+,43+,44+/m1/s1 DR1833 CASMILES CC(C)C(C)C1(CCC2(C3CCC4C5(COCC4(C3=CCC2(C1C(=O)O)C)CC(C5OCC(C)(C(C)(C)C)N)N6C(=NC=N6)C7=CC=NC=C7)C)C)C DR1833 CAS__NUM CAS 1207753-03-4 DR1834 DRUG__ID DR1834 DR1834 DRUGNAME GS-9620 DR1834 PUBCMCID 46241268 DR1834 TTDRUGID D08JWC DR1834 DFORMULA C22H30N6O2 DR1834 INCHIKEY VFOKSTCIRGDTBR-UHFFFAOYSA-N DR1834 DRUINCHI 1S/C22H30N6O2/c1-2-3-11-30-22-25-20(23)19-21(26-22)28(15-18(29)24-19)14-17-8-6-7-16(12-17)13-27-9-4-5-10-27/h6-8,12H,2-5,9-11,13-15H2,1H3,(H,24,29)(H2,23,25,26) DR1834 CASMILES CCCCOC1=NC2=C(C(=N1)N)NC(=O)CN2CC3=CC(=CC=C3)CN4CCCC4 DR1834 CAS__NUM CAS 1228585-88-3 DR1834 PUBCMSID 96103174; 120493416; 140852686; 162109056; 163620976; 163686300; 172821359; 174508709; 175452601; 185974265; 198935848; 235421727; 247178727; 252151325; 252451782; 252811246 DR1835 DRUG__ID DR1835 DR1835 DRUGNAME AS-703026 DR1835 PUBCMCID 44187362 DR1835 TTDRUGID D03CHM DR1835 DFORMULA C15H15FIN3O3 DR1835 INCHIKEY VIUAUNHCRHHYNE-JTQLQIEISA-N DR1835 DRUINCHI 1S/C15H15FIN3O3/c16-12-5-9(17)1-2-13(12)20-14-7-18-4-3-11(14)15(23)19-6-10(22)8-21/h1-5,7,10,20-22H,6,8H2,(H,19,23)/t10-/m0/s1 DR1835 CASMILES C1=CC(=C(C=C1I)F)NC2=C(C=CN=C2)C(=O)NCC(CO)O DR1835 CAS__NUM CAS 1204531-26-9 DR1835 CHEBINUM 94793 DR1835 PUBCMSID 85183024; 89947069; 99437175; 124757278; 125164082; 131480889; 135264540; 135267186; 136340134; 136367436; 136368089; 136920269; 137500464; 144115630; 152258364; 160647201; 160709020; 162037620; 162202575; 164041502; 164835959; 172232519; 174006376; 174526610; 176251505; 177749091; 186022480; 188899591; 198984263; 215785751; 223366201; 223382798; 223603881; 223704297; 228806461; 242058433; 242587784; 244900225; 249867996; 252076945; 252110021; 252444723; 252451745; 252543462 DR1836 DRUG__ID DR1836 DR1836 DRUGNAME HE-3235 DR1836 PUBCMCID 42611099 DR1836 TTDRUGID D0N3IA DR1836 DFORMULA C21H32O2 DR1836 INCHIKEY CKAXZOYFIHQCBN-JRRMKBMNSA-N DR1836 DRUINCHI 1S/C21H32O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,14-18,22-23H,5-13H2,2-3H3/t14-,15+,16+,17-,18-,19-,20-,21-/m0/s1 DR1836 CASMILES CC12CCC(CC1CCC3C2CCC4(C3CCC4(C#C)O)C)O DR1836 CAS__NUM CAS 183387-50-0 DR1837 DRUG__ID DR1837 DR1837 DRUGNAME AZD-2014 DR1837 PUBCMCID 25262792 DR1837 TTDRUGID D0Z2UQ DR1837 DFORMULA C25H30N6O3 DR1837 INCHIKEY JUSFANSTBFGBAF-IRXDYDNUSA-N DR1837 DRUINCHI 1S/C25H30N6O3/c1-16-14-33-11-9-30(16)23-20-7-8-21(18-5-4-6-19(13-18)24(32)26-3)27-22(20)28-25(29-23)31-10-12-34-15-17(31)2/h4-8,13,16-17H,9-12,14-15H2,1-3H3,(H,26,32)/t16-,17-/m0/s1 DR1837 CASMILES CC1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOCC5C DR1837 CAS__NUM CAS 1009298-59-2 DR1837 PUBCMSID 58097037; 85072199; 137085461; 141539022; 144115665; 152159595; 152258658; 160647494; 162011892; 164045802; 164149381; 164158576; 172650682; 185990497; 198984517; 223366032; 223389028; 223702573; 223705079; 226633861; 241383711; 242060353; 248835190; 251962984; 252214932; 252450566; 252543438; 252552002 DR1838 DRUG__ID DR1838 DR1838 DRUGNAME RO-5190591 DR1838 PUBCMCID 11285588 DR1838 TTDRUGID D0R9MN DR1838 DFORMULA C35H46FN5O9S DR1838 INCHIKEY ZVTDLPBHTSMEJZ-JSZLBQEHSA-N DR1838 DRUINCHI 1S/C35H46FN5O9S/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40/h7,9-12,22-24,27-28H,4-6,8,13-20H2,1-3H3,(H,37,45)(H,38,42)(H,39,44)/b11-7-/t22-,23-,27+,28+,35-/m1/s1 DR1838 CASMILES CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(NC(=O)C3CC(CN3C1=O)OC(=O)N4CC5=C(C4)C(=CC=C5)F)C(=O)NS(=O)(=O)C6CC6 DR1838 CAS__NUM CAS 850876-88-9 DR1839 DRUG__ID DR1839 DR1839 DRUGNAME ABT-263 DR1839 PUBCMCID 24978538 DR1839 TTDRUGID D06ETI DR1839 DFORMULA C47H55ClF3N5O6S3 DR1839 INCHIKEY JLYAXFNOILIKPP-KXQOOQHDSA-N DR1839 DRUINCHI 1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1 DR1839 CASMILES CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NC(CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C DR1839 CAS__NUM CAS 119229-65-1 DR1839 CHEBINUM 94128 DR1839 PUBCMSID 56311703; 56314453; 57304426; 57504587; 87219189; 87457108; 96099448; 99003698; 99245529; 99246089; 99431767; 99460835; 103640740; 104115920; 124756924; 124899202; 124899203; 125163731; 126583646; 126667000; 126724167; 131465096; 131465716; 134221945; 135263748; 135626669; 135727392; 136920253; 137126833; 141663047; 143499177; 152035716; 152164573; 152240012; 152258081; 152344157; 160646920; 162011689; 162037376; 162202714; 163123180; 163821637; 164194132; 164831796; 174007035; 174531509; 198955115; 204380851; 223388517; 223685382 DR1841 DRUG__ID DR1841 DR1841 DRUGNAME E-6005 DR1841 PUBCMCID 24864553 DR1841 TTDRUGID D0TT4H DR1841 DFORMULA C26H24N4O5 DR1841 INCHIKEY BBTFKAOFCSOZMB-UHFFFAOYSA-N DR1841 DRUINCHI 1S/C26H24N4O5/c1-27-26-29-20-14-22(34-3)21(33-2)13-19(20)23(30-26)17-6-5-7-18(12-17)28-24(31)15-8-10-16(11-9-15)25(32)35-4/h5-14H,1-4H3,(H,28,31)(H,27,29,30) DR1841 CASMILES CNC1=NC2=CC(=C(C=C2C(=N1)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)C(=O)OC)OC)OC DR1841 CAS__NUM CAS 947620-48-6 DR1842 DRUG__ID DR1842 DR1842 DRUGNAME BIIB-014 DR1842 PUBCMCID 21874557 DR1842 TTDRUGID D0Z3PO DR1842 DFORMULA C16H15N7O DR1842 INCHIKEY HQSBCDPYXDGTCL-UHFFFAOYSA-N DR1842 DRUINCHI 1S/C16H15N7O/c1-9-7-10(4-5-11(9)17)8-23-15-14(21-22-23)13(19-16(18)20-15)12-3-2-6-24-12/h2-7H,8,17H2,1H3,(H2,18,19,20) DR1842 CASMILES CC1=C(C=CC(=C1)CN2C3=NC(=NC(=C3N=N2)C4=CC=CO4)N)N DR1842 CAS__NUM CAS 442908-10-3 DR1842 PUBCMSID 37349068; 50088720; 80958624; 99431570; 103606732; 104106404; 134339223; 135263751; 135626712; 139412216; 175267210; 178102246; 223871157; 228921134; 243923101 DR1843 DRUG__ID DR1843 DR1843 DRUGNAME SHR-1020 DR1843 PUBCMCID 16662431 DR1843 TTDRUGID D0Z6MT DR1843 DFORMULA C23H27FN4O2 DR1843 INCHIKEY GKEYKDOLBLYGRB-LGMDPLHJSA-N DR1843 DRUINCHI 1S/C23H27FN4O2/c1-4-27(5-2)10-11-28-9-8-19-21(23(28)30)14(3)20(25-19)13-17-16-12-15(24)6-7-18(16)26-22(17)29/h6-7,12-13,25H,4-5,8-11H2,1-3H3,(H,26,29)/b17-13- DR1843 CASMILES CCN(CC)CCN1CCC2=C(C1=O)C(=C(N2)C=C3C4=C(C=CC(=C4)F)NC3=O)C DR1843 CAS__NUM CAS 945380-27-8 DR1843 PUBCMSID 26522442; 30503958; 54220869; 123101636; 123110138; 138921816; 140438164; 163643110; 165241314; 180419447; 198954287; 226504741; 249565577 DR1844 DRUG__ID DR1844 DR1844 DRUGNAME JNJ-37822681 DR1844 PUBCMCID 16058752 DR1844 TTDRUGID D0C8PE DR1844 DFORMULA C17H17F5N4 DR1844 INCHIKEY UVUYWJWYRLJHEN-UHFFFAOYSA-N DR1844 DRUINCHI 1S/C17H17F5N4/c18-13-2-1-11(9-14(13)19)10-26-7-5-12(6-8-26)23-16-4-3-15(24-25-16)17(20,21)22/h1-4,9,12H,5-8,10H2,(H,23,25) DR1844 CASMILES C1CN(CCC1NC2=NN=C(C=C2)C(F)(F)F)CC3=CC(=C(C=C3)F)F DR1844 CAS__NUM CAS 935776-74-2 DR1845 DRUG__ID DR1845 DR1845 DRUGNAME MB-07811 DR1845 PUBCMCID 15942005 DR1845 TTDRUGID D07ZTD DR1845 DFORMULA C28H32ClO5P DR1845 INCHIKEY LGGPZDRLTDGYSQ-JADSYQMUSA-N DR1845 DRUINCHI 1S/C28H32ClO5P/c1-18(2)25-14-21(8-9-27(25)30)15-26-19(3)12-24(13-20(26)4)32-17-35(31)33-11-10-28(34-35)22-6-5-7-23(29)16-22/h5-9,12-14,16,18,28,30H,10-11,15,17H2,1-4H3/t28-,35+/m0/s1 DR1845 CASMILES CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)C(C)C)C)OCP3(=O)OCCC(O3)C4=CC(=CC=C4)Cl DR1845 CAS__NUM CAS 852948-13-1 DR1846 DRUG__ID DR1846 DR1846 DRUGNAME LY-2603618 DR1846 PUBCMCID 11955855 DR1846 TTDRUGID D00NZL DR1846 DFORMULA C18H22BrN5O3 DR1846 INCHIKEY SYYBDNPGDKKJDU-ZDUSSCGKSA-N DR1846 DRUINCHI 1S/C18H22BrN5O3/c1-11-5-16(27-10-13-8-20-3-4-26-13)15(6-14(11)19)23-18(25)24-17-9-21-12(2)7-22-17/h5-7,9,13,20H,3-4,8,10H2,1-2H3,(H2,22,23,24,25)/t13-/m0/s1 DR1846 CASMILES CC1=CC(=C(C=C1Br)NC(=O)NC2=NC=C(N=C2)C)OCC3CNCCO3 DR1846 CAS__NUM CAS 911222-45-2 DR1846 CHEBINUM 124917 DR1846 PUBCMSID 17399809; 24481461; 36453169; 77268992; 136340188; 136349524; 136367655; 136367891; 140472988; 144116162; 152258593; 160647428; 162011919; 162038076; 162109042; 164023434; 170467345; 172232490; 174007107; 174510191; 174531422; 185969758; 198976853; 223705091; 226644713; 246865050; 249565643; 251963138; 252110175 DR1847 DRUG__ID DR1847 DR1847 DRUGNAME ABT-384 DR1847 PUBCMCID 11670435 DR1847 TTDRUGID D05WCI DR1847 DFORMULA C25H34F3N5O2 DR1847 INCHIKEY CLHMYBJIOZXCEX-UHFFFAOYSA-N DR1847 DRUINCHI 1S/C25H34F3N5O2/c1-23(2,33-7-5-32(6-8-33)19-4-3-18(14-30-19)25(26,27)28)22(35)31-20-16-9-15-10-17(20)13-24(11-15,12-16)21(29)34/h3-4,14-17,20H,5-13H2,1-2H3,(H2,29,34)(H,31,35) DR1847 CASMILES CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)N)N4CCN(CC4)C5=NC=C(C=C5)C(F)(F)F DR1847 CAS__NUM CAS 868623-40-9 DR1847 PUBCMSID 16774264; 23769047; 75860975; 103508304; 104077360; 178103929; 226583579; 248171098 DR1848 DRUG__ID DR1848 DR1848 DRUGNAME TAK-652 DR1848 PUBCMCID 11285792 DR1848 TTDRUGID D0YQ7U DR1848 DFORMULA C41H52N4O4S DR1848 INCHIKEY PNDKCRDVVKJPKG-WHERJAGFSA-N DR1848 DRUINCHI 1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/b34-26+/t50-/m0/s1 DR1848 CASMILES CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCCC(=C3)C(=O)NC4=CC=C(C=C4)S(=O)CC5=CN=CN5CCC)CC(C)C DR1848 CAS__NUM CAS 497223-25-3 DR1848 PUBCMSID 3727064; 16384602; 23456613; 42365221; 74473324; 135263513; 135626631; 137255612; 163315791; 164151703; 164152753; 198946191; 198946193; 210024091; 229199515; 229199534 DR1849 DRUG__ID DR1849 DR1849 DRUGNAME CP-122721 DR1849 PUBCMCID 9821217 DR1849 TTDRUGID D0T0PN DR1849 DFORMULA C20H23F3N2O2 DR1849 INCHIKEY ZIWFCOIGUNPHPM-HKUYNNGSSA-N DR1849 DRUINCHI 1S/C20H23F3N2O2/c1-26-18-10-9-16(27-20(21,22)23)12-15(18)13-25-17-8-5-11-24-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,24-25H,5,8,11,13H2,1H3/t17-,19-/m0/s1 DR1849 CASMILES COC1=C(C=C(C=C1)OC(F)(F)F)CNC2CCCNC2C3=CC=CC=C3 DR1849 CAS__NUM CAS 145742-28-5 DR1849 PUBCMSID 14780102; 14902445; 24124685; 44857177; 78634444; 103309381; 103962360; 124954232; 129909114; 137034189; 140143344; 144210525; 198985924; 226520674; 241036480 DR1850 DRUG__ID DR1850 DR1850 DRUGNAME PD-115934 DR1850 PUBCMCID 339455 DR1850 TTDRUGID D0L5MF DR1850 DFORMULA C19H21N5O3 DR1850 INCHIKEY HZCWPKGYTCJSEB-UHFFFAOYSA-N DR1850 DRUINCHI 1S/C19H21N5O3/c1-22(2)9-4-10-23-15-7-8-16(24(25)26)19-17(15)18(21-23)13-11-12(27-3)5-6-14(13)20-19/h5-8,11,20H,4,9-10H2,1-3H3 DR1850 CASMILES CN(C)CCCN1C2=C3C(=C(C=C2)[N+](=O)[O-])NC4=C(C3=N1)C=C(C=C4)OC DR1850 CAS__NUM CAS 99009-20-8 DR1851 DRUG__ID DR1851 DR1851 DRUGNAME BML1-E04 DR1851 PUBCMCID 5280492 DR1851 TTDRUGID D0O4NR DR1851 DFORMULA C20H32O4 DR1851 INCHIKEY VNYSSYRCGWBHLG-AMOLWHMGSA-N DR1851 DRUINCHI 1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1 DR1851 CASMILES CCCCCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O DR1851 CAS__NUM CAS 71160-24-2 DR1851 CHEBINUM 15647 DR1851 PUBCMSID 5240; 801682; 4266069; 7979751; 8143279; 8616293; 14753488; 15316444; 24896256; 26754791; 26754792; 26754793; 26759044; 39289598; 47217017; 47515561; 47811004; 48110702; 48259480; 48334747; 49964833; 50110780; 53790345; 53801088; 57357761; 79593894; 92126167; 92309780; 99300694; 99302212; 103256813; 103925923; 104046421; 113853357; 126523796; 127316819; 127316820; 127316821; 127316822; 127316823; 127316824; 127316825; 127316826; 127316827; 127316828; 127316829; 127316830; 127316831; 134341607; 135010128 DR1852 DRUG__ID DR1852 DR1852 DRUGNAME SQ-109 DR1852 PUBCMCID 5274428 DR1852 TTDRUGID D0K8DI DR1852 DFORMULA C22H38N2 DR1852 INCHIKEY JFIBVDBTCDTBRH-REZTVBANSA-N DR1852 DRUINCHI 1S/C22H38N2/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-22-20-12-18-11-19(14-20)15-21(22)13-18/h5,7,18-24H,4,6,8-15H2,1-3H3/b17-7+ DR1852 CASMILES CC(=CCCC(=CCNCCNC1C2CC3CC(C2)CC1C3)C)C DR1852 CAS__NUM CAS 502487-67-4 DR1852 PUBCMSID 8614182; 10584935; 24739760; 39284188; 75093607; 92309401; 99437063; 103681130; 113899654; 135263750; 137131345; 142872067; 144111190; 160867481; 163620820; 163686148; 172919583; 175426955; 179605483; 180438526; 184811979; 198949024; 227958686; 227958688; 235390810; 243768307; 249565677 DR1853 DRUG__ID DR1853 DR1853 DRUGNAME ABT-751 DR1853 PUBCMCID 3035714 DR1853 TTDRUGID D09EHO DR1853 DFORMULA C18H17N3O4S DR1853 INCHIKEY URCVCIZFVQDVPM-UHFFFAOYSA-N DR1853 DRUINCHI 1S/C18H17N3O4S/c1-25-15-8-10-16(11-9-15)26(23,24)21-17-3-2-12-19-18(17)20-13-4-6-14(22)7-5-13/h2-12,21-22H,1H3,(H,19,20) DR1853 CASMILES COC1=CC=C(C=C1)S(=O)(=O)NC2=C(N=CC=C2)NC3=CC=C(C=C3)O DR1853 CAS__NUM CAS 141430-65-1 DR1853 CHEBINUM 95043 DR1854 DRUG__ID DR1854 DR1854 DRUGNAME XL-147 DR1854 PUBCMCID 1893730 DR1854 TTDRUGID D03KAC DR1854 DFORMULA C21H16N6O2S2 DR1854 INCHIKEY MQMKRQLTIWPEDM-UHFFFAOYSA-N DR1854 DRUINCHI 1S/C21H16N6O2S2/c1-13-6-9-15(10-7-13)31(28,29)27-21-20(23-16-4-2-3-5-17(16)24-21)22-14-8-11-18-19(12-14)26-30-25-18/h2-12H,1H3,(H,22,23)(H,24,27) DR1854 CASMILES CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC5=NSN=C5C=C4 DR1854 CAS__NUM CAS 1033110-57-4 DR1854 CHEBINUM 71957 DR1854 PUBCMSID 2292548; 7613915; 9162512; 25687318; 32753982; 47324138; 53012507; 85758375; 88887486; 99436990; 110757007; 117413884; 124757013; 125163817; 125655166; 126626058; 126658546; 126729189; 131480692; 134964436; 135698922; 136340109; 136367315; 137102005; 140639648; 143499694; 151981971; 152234899; 152258322; 152344014; 160647161; 160962901; 162011393; 162037447; 162202599; 163772970; 163907945; 164042763; 164077913; 164825243; 164836213; 166698477; 170503349; 174006505; 174531402; 177748775; 185967759; 215730822; 223388734; 223686141 DR1855 DRUG__ID DR1855 DR1855 DRUGNAME PNU-100480 DR1855 PUBCMCID 465951 DR1855 TTDRUGID D0BW4W DR1855 DFORMULA C16H20FN3O3S DR1855 INCHIKEY FNDDDNOJWPQCBZ-ZDUSSCGKSA-N DR1855 DRUINCHI 1S/C16H20FN3O3S/c1-11(21)18-9-13-10-20(16(22)23-13)12-2-3-15(14(17)8-12)19-4-6-24-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1 DR1855 CASMILES CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCSCC3)F DR1855 CAS__NUM CAS 168828-58-8 DR1856 DRUG__ID DR1856 DR1856 DRUGNAME MPC-4326 DR1856 PUBCMCID 457928 DR1856 TTDRUGID D04MPB DR1856 DFORMULA C36H56O6 DR1856 INCHIKEY YJEJKUQEXFSVCJ-WRFMNRASSA-N DR1856 DRUINCHI 1S/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22-,23+,24-,25+,26-,28+,33-,34+,35+,36-/m0/s1 DR1856 CASMILES CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)CC(C)(C)C(=O)O)C)C(=O)O DR1856 CAS__NUM CAS 174022-42-5 DR1856 CHEBINUM 65484 DR1857 DRUG__ID DR1857 DR1857 DRUGNAME KNI-272 DR1857 PUBCMCID 374224 DR1857 TTDRUGID D0W9JM DR1857 DFORMULA C33H41N5O6S2 DR1857 INCHIKEY NJBBLOIWMSYVCQ-OKHMJZBSSA-N DR1857 DRUINCHI 1S/C33H41N5O6S2/c1-33(2,3)37-31(42)26-19-46-20-38(26)32(43)29(40)24(15-21-9-6-5-7-10-21)36-30(41)25(18-45-4)35-28(39)17-44-27-12-8-11-22-16-34-14-13-23(22)27/h5-14,16,24-26,29,40H,15,17-20H2,1-4H3,(H,35,39)(H,36,41)(H,37,42)/t24?,25-,26-,29?/m0/s1 DR1857 CASMILES CC(C)(C)NC(=O)C1CSCN1C(=O)C(C(CC2=CC=CC=C2)NC(=O)C(CSC)NC(=O)COC3=CC=CC4=C3C=CN=C4)O DR1857 CAS__NUM CAS 147318-81-8 DR1858 DRUG__ID DR1858 DR1858 DRUGNAME CYC-202 DR1858 PUBCMCID 160355 DR1858 TTDRUGID D05ADP DR1858 DFORMULA C19H26N6O DR1858 INCHIKEY BTIHMVBBUGXLCJ-OAHLLOKOSA-N DR1858 DRUINCHI 1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 DR1858 CASMILES CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=CN2C(C)C DR1858 CAS__NUM CAS 186692-46-6 DR1858 CHEBINUM 45307 DR1858 PUBCMSID 527377; 584365; 610560; 6436229; 7890318; 10253958; 11108321; 11120183; 11120671; 11121159; 11121724; 11122204; 11147266; 11362832; 11365394; 11367956; 11370895; 11370896; 11373557; 11376118; 11440772; 12015583; 14719432; 14720319; 14778719; 14876445; 24278682; 26753649; 26753650; 26759456; 26759458; 46235405; 46393775; 47364935; 47364936; 47439996; 47736219; 47736220; 48034852; 48034853; 48184761; 50066372; 50087155; 50100113; 50107006; 50107007; 53789190; 57349053; 68533699; 80722361 DR1859 DRUG__ID DR1859 DR1859 DRUGNAME Desmethylastemizole DR1859 PUBCMCID 155805 DR1859 TTDRUGID D0C9UF DR1859 DFORMULA C27H29FN4O DR1859 INCHIKEY LAGYWHSFHIMTPE-UHFFFAOYSA-N DR1859 DRUINCHI 1S/C27H29FN4O/c28-22-9-5-21(6-10-22)19-32-26-4-2-1-3-25(26)30-27(32)29-23-14-17-31(18-15-23)16-13-20-7-11-24(33)12-8-20/h1-12,23,33H,13-19H2,(H,29,30) DR1859 CASMILES C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)CCC5=CC=C(C=C5)O DR1859 CAS__NUM CAS 73736-50-2 DR1859 PUBCMSID 10252754; 11538011; 15379663; 46231728; 50164560; 57348207; 96099814; 103247839; 104022591; 104442275; 126443278;128460301; 134339942; 134341608; 135111389; 137606696; 162260518; 163137036; 164839349; 179323459; 198977263; 224821588; 227390776 DR1860 DRUG__ID DR1860 DR1860 DRUGNAME LY-333531 DR1860 PUBCMCID 153999 DR1860 TTDRUGID D0W3LI DR1860 DFORMULA C28H28N4O3 DR1860 INCHIKEY ZCBUQCWBWNUWSU-SFHVURJKSA-N DR1860 DRUINCHI 1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1 DR1860 CASMILES CN(C)CC1CCN2C=C(C3=CC=CC=C32)C4=C(C5=CN(CCO1)C6=CC=CC=C65)C(=O)NC4=O DR1860 CAS__NUM CAS 169939-94-0 DR1860 PUBCMSID 833541; 10251931; 10318977; 14760780; 14760781; 46230219; 46393342; 46517285; 50070524; 50071162; 50100106; 50462855; 57347953; 85267527; 103298456; 104020046; 104437748; 126665974; 129881271; 134223871; 134339404; 134339800; 134340199; 134340298; 135109631; 137249719; 137266253; 142787245; 178101947; 179150054; 198935331; 223661453; 228602703 DR1861 DRUG__ID DR1861 DR1861 DRUGNAME EBP-994 DR1861 PUBCMCID 148195 DR1861 TTDRUGID D0W4HZ DR1861 DFORMULA C27H31Br2ClN4O2 DR1861 INCHIKEY DHMTURDWPRKSOA-RUZDIDTESA-N DR1861 DRUINCHI 1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1 DR1861 CASMILES C1CN(CCC1CC(=O)N2CCC(CC2)C3C4=C(CCC5=C3N=CC(=C5)Br)C=C(C=C4Br)Cl)C(=O)N DR1861 CAS__NUM CAS 193275-84-2 DR1861 CHEBINUM 47097 DR1861 PUBCMSID 535096; 828254; 7885229; 10249840; 12015147; 14839125; 14863416; 46225143; 46392748; 46514799; 47206583; 50067857; 53730874; 53790412; 57346725; 103241637; 104418463; 109692960; 126671481; 127339627; 127339628; 127339629; 127735655; 134338832; 134340513; 135105633; 135707678; 136895225; 137100866; 137263761; 142477936; 152159619; 152258621; 160647456; 162011930; 162205081; 162222422; 163884620; 164194111; 164761622; 170558848; 174007118; 174528153; 180372435; 186007024; 186014446; 198959604; 198993165; 223662989; 223704895 DR1862 DRUG__ID DR1862 DR1862 DRUGNAME NSC-603071 DR1862 PUBCMCID 72402 DR1862 TTDRUGID D07UHX DR1862 DFORMULA C20H17N3O4 DR1862 INCHIKEY FUXVKZWTXQUGMW-FQEVSTJZSA-N DR1862 DRUINCHI 1S/C20H17N3O4/c1-2-20(26)13-7-16-17-10(6-11-14(21)4-3-5-15(11)22-17)8-23(16)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3/t20-/m0/s1 DR1862 CASMILES CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)O DR1862 CAS__NUM CAS 91421-43-1 DR1862 CHEBINUM 80755 DR1862 PUBCMSID 483848; 600881; 8195177; 11408968; 12014702; 14876953; 14876954; 26725257; 43128571; 50028358;57318699; 77695393; 87560557; 96023346; 99373552; 99432308; 103073229; 103082936; 103170467; 103910998; 103922005; 104352855; 117586313; 119525751; 124796287; 124953919; 127347071; 127903358; 135030378; 137138142; 142371086; 152036014; 152227690; 160809182; 162179182; 162937855; 163374696; 164758081; 170559265; 172860100; 174531450; 178115205; 179151428; 184538696; 188900245; 198973567; 223445740; 223603491; 225031198; 226414396 DR1863 DRUG__ID DR1863 DR1863 DRUGNAME NSC-659853 DR1863 PUBCMCID 66414 DR1863 TTDRUGID D06NYA DR1863 DFORMULA C19H26O3 DR1863 INCHIKEY CQOQDQWUFQDJMK-SSTWWWIQSA-N DR1863 DRUINCHI 1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1 DR1863 CASMILES CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)OC)O DR1863 CAS__NUM CAS 362-07-2 DR1863 CHEBINUM 28955 DR1863 PUBCMSID 7686; 825710; 841378; 7887359; 8190445; 11532969; 12015344; 14898499; 14923020; 17405300; 17487140; 24278561; 24702257; 43123109; 48185196; 48334733; 49965824; 50473704; 53777845; 53787147; 56312168; 56313815; 56423644; 57288593; 57316122; 71821515; 90340800; 91690349; 92298266; 92304296; 99437043; 103231166; 103956563; 104226314; 104336411; 117616593; 121361504; 124749957; 124757104; 124799546; 124891665; 125163908; 126523247; 127663438; 131480734; 135024732; 136348789; 136367367; 137018345; 141146716 DR1864 DRUG__ID DR1864 DR1864 DRUGNAME MKC-442 DR1864 PUBCMCID 65013 DR1864 TTDRUGID D0GK4E DR1864 DFORMULA C17H22N2O3 DR1864 INCHIKEY MLILORUFDVLTSP-UHFFFAOYSA-N DR1864 DRUINCHI 1S/C17H22N2O3/c1-4-22-11-19-14(10-13-8-6-5-7-9-13)15(12(2)3)16(20)18-17(19)21/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,21) DR1864 CASMILES CCOCN1C(=C(C(=O)NC1=O)C(C)C)CC2=CC=CC=C2 DR1864 CAS__NUM CAS 149950-60-7 DR1864 CHEBINUM 44143 DR1865 DRUG__ID DR1865 DR1865 DRUGNAME BRN-0456976 DR1865 PUBCMCID 62156 DR1865 TTDRUGID D03PJU DR1865 DFORMULA C24H30N2O3 DR1865 INCHIKEY YDSDEBIZUNNPOB-UHFFFAOYSA-N DR1865 DRUINCHI 1S/C24H30N2O3/c1-3-22(27)26(21-12-8-5-9-13-21)24(23(28)29-2)15-18-25(19-16-24)17-14-20-10-6-4-7-11-20/h4-13H,3,14-19H2,1-2H3 DR1865 CASMILES CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CC=C3)C(=O)OC DR1865 CAS__NUM CAS 59708-52-0 DR1865 CHEBINUM 61084 DR1865 PUBCMSID 8187910; 16847866; 22395327; 43119324; 46505501; 50015735; 57314612; 80840190; 96024451; 103224159; 103924756; 104222357;104325105; 109614507; 117553158; 129780983; 134222605; 135020271; 137129263; 141935616; 160964782; 162630311; 164837838; 175443459; 180100818; 198942200; 226488467; 241102489; 250116464 DR1866 DRUG__ID DR1866 DR1866 DRUGNAME WR-6026 DR1866 PUBCMCID 42548 DR1866 TTDRUGID D0Q1LO DR1866 DFORMULA C21H33N3O DR1866 INCHIKEY RVAKDGYPIVSYEU-UHFFFAOYSA-N DR1866 DRUINCHI 1S/C21H33N3O/c1-5-24(6-2)14-10-8-7-9-12-22-20-16-18(25-4)15-19-17(3)11-13-23-21(19)20/h11,13,15-16,22H,5-10,12,14H2,1-4H3 DR1866 CASMILES CCN(CC)CCCCCCNC1=CC(=CC2=C(C=CN=C12)C)OC DR1866 CAS__NUM CAS 57695-04-2 DR1867 DRUG__ID DR1867 DR1867 DRUGNAME BP-12941 DR1867 PUBCMCID 16741 DR1867 TTDRUGID D07AOL DR1867 DFORMULA C9H9NS DR1867 INCHIKEY IZJDOKYDEWTZSO-UHFFFAOYSA-N DR1867 DRUINCHI 1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2 DR1867 CASMILES C1=CC=C(C=C1)CCN=C=S DR1867 CAS__NUM CAS 2257-09-2 DR1867 CHEBINUM 351346 DR1868 DRUG__ID DR1868 DR1868 DRUGNAME HSDB-1516 DR1868 PUBCMCID 5053 DR1868 TTDRUGID D09LEP DR1868 DFORMULA C22H26O3 DR1868 INCHIKEY VEMKTZHHVJILDY-UHFFFAOYSA-N DR1868 DRUINCHI 1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3 DR1868 CASMILES CC(=CC1C(C1(C)C)C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)C DR1868 CAS__NUM CAS 10453-86-8 DR1868 CHEBINUM 8811 DR1869 DRUG__ID DR1869 DR1869 DRUGNAME ARQ-501 DR1869 PUBCMCID 3885 DR1869 TTDRUGID D0W0VD DR1869 DFORMULA C15H14O3 DR1869 INCHIKEY QZPQTZZNNJUOLS-UHFFFAOYSA-N DR1869 DRUINCHI 1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3 DR1869 CASMILES CC1(CCC2=C(O1)C3=CC=CC=C3C(=O)C2=O)C DR1869 CAS__NUM CAS 4707-32-8 DR1869 CHEBINUM 10429 DR1869 PUBCMSID 12553; 87198; 494711; 611544; 5669163; 8152448; 11111370; 11121371; 11121851; 11362440; 11365002; 11367564; 11370151; 11370152; 11373165; 11375726; 11414054; 15196477; 17405278; 24278512; 26753601; 29222999; 47365325; 47440387; 47589107; 47959891; 48110573; 48259373; 49996523; 50106535; 50106536; 50106537; 50106538; 53777823; 53788397; 57322036; 68530614; 79051855; 85087200; 85231108; 90340897; 91708861; 92304299; 92309722; 99300636; 99302154; 103178327; 103852913; 104304799; 117597465 DR1870 DRUG__ID DR1870 DR1870 DRUGNAME CS-5245 DR1870 PUBCMCID 9926832 DR1870 TTDRUGID D0G5PF DR1870 DFORMULA C19H23NO3 DR1870 INCHIKEY ZFPZEYHRWGMJCV-ZHALLVOQSA-N DR1870 DRUINCHI 1S/C19H23NO3/c1-14-5-3-6-15(13-14)8-11-19(22)10-4-7-17-16(19)9-12-20(17)18(21)23-2/h3,5-6,13,16-17,22H,4,7,9-10,12H2,1-2H3/t16-,17-,19-/m1/s1 DR1870 CASMILES CC1=CC(=CC=C1)C#CC2(CCCC3C2CCN3C(=O)OC)O DR1870 CAS__NUM CAS 543906-09-8 DR1870 PUBCMSID 15189549; 24203078; 80377956; 99431574; 138546101; 163642446; 186528500; 194186363; 194940981; 198936767; 223365921; 223933254; 227245120; 247392681; 251879267; 252215755 DR1871 DRUG__ID DR1871 DR1871 DRUGNAME CS-505 DR1871 PUBCMCID 3081927 DR1871 TTDRUGID D02GWF DR1871 DFORMULA C25H40N2O3 DR1871 INCHIKEY TXIIZHHIOHVWJD-UHFFFAOYSA-N DR1871 DRUINCHI 1S/C25H40N2O3/c1-7-8-9-10-11-12-14-27-15-13-19-17(2)20(16-21(28)29)18(3)22(23(19)27)26-24(30)25(4,5)6/h7-16H2,1-6H3,(H,26,30)(H,28,29) DR1871 CASMILES CCCCCCCCN1CCC2=C(C(=C(C(=C21)NC(=O)C(C)(C)C)C)CC(=O)O)C DR1871 CAS__NUM CAS 189198-30-9 DR1872 DRUG__ID DR1872 DR1872 DRUGNAME EMD-128130 DR1872 PUBCMCID 6918388 DR1872 TTDRUGID D0W5EH DR1872 DFORMULA C22H21FN2O DR1872 INCHIKEY HKFMQJUJWSFOLY-OAQYLSRUSA-N DR1872 DRUINCHI 1S/C22H21FN2O/c23-20-8-5-17(6-9-20)19-11-16(12-24-14-19)13-25-15-21-10-7-18-3-1-2-4-22(18)26-21/h1-6,8-9,11-12,14,21,25H,7,10,13,15H2/t21-/m1/s1 DR1872 CASMILES C1CC2=CC=CC=C2OC1CNCC3=CC(=CN=C3)C4=CC=C(C=C4)F DR1872 CAS__NUM CAS 351862-32-3 DR1873 DRUG__ID DR1873 DR1873 DRUGNAME HOE-239 DR1873 PUBCMCID 68792 DR1873 TTDRUGID D00RWW DR1873 DFORMULA C12H13N3O3S DR1873 INCHIKEY MIWWSGDADVMLTG-UHFFFAOYSA-N DR1873 DRUINCHI 1S/C12H13N3O3S/c1-14-11(13-7-12(14)15(16)17)8-18-9-3-5-10(19-2)6-4-9/h3-7H,8H2,1-2H3 DR1873 CASMILES CN1C(=CN=C1COC2=CC=C(C=C2)SC)[N+](=O)[O-] DR1873 CAS__NUM CAS 59729-37-2 DR1874 DRUG__ID DR1874 DR1874 DRUGNAME INCB-024360 DR1874 PUBCMCID 135564890 DR1874 TTDRUGID D0PM5U DR1874 DFORMULA C11H13BrFN7O4S DR1874 INCHIKEY FBKMWOJEPMPVTQ-UHFFFAOYSA-N DR1874 DRUINCHI 1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23) DR1874 CASMILES C1=CC(=C(C=C1N=C(C2=NON=C2NCCNS(=O)(=O)N)NO)Br)F DR1874 CAS__NUM CAS 1204669-58-8 DR1875 DRUG__ID DR1875 DR1875 DRUGNAME Dabigatran DR1875 PUBCMCID 72960092 DR1875 TTDRUGID D03BFU DR1875 DFORMULA C35H45N7O8S DR1875 INCHIKEY XETBXHPXHHOLOE-UHFFFAOYSA-N DR1875 DRUINCHI 1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19+/m1/s1 DR1875 CASMILES C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O DR1875 CAS__NUM CAS 872728-81-9 DR1876 DRUG__ID DR1876 DR1876 DRUGNAME LCZ-696 DR1876 PUBCMCID 71449007 DR1876 TTDRUGID D0KQ8X DR1876 DFORMULA C96H120N12Na6O21 DR1876 INCHIKEY ZASXKEGREHRXDL-CAWNUZPDSA-H DR1876 DRUINCHI 1S/2C24H29N5O3.2C24H29NO5.6Na.5H2O/c2*1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23;2*1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19;;;;;;;;;;;/h2*6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H2,25,26,27,28,31,32);2*4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28);;;;;;;5*1H2/q;;;;6*+1;;;;;/p-6/t2*22-;2*17-,21+;;;;;;;;;;;/m0011.........../s1 DR1876 CASMILES CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN=N[N-]3)C(C(C)C)C(=O)[O-].CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN=N[N-]3)C(C(C)C)C(=O)[O-].CCOC(=O)C(C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)[O-].CCOC(=O)C(C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)[O-].O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] DR1876 CAS__NUM CAS 936623-90-4 DR1877 DRUG__ID DR1877 DR1877 DRUGNAME LCQ908-NXA DR1877 PUBCMCID 53387035 DR1877 TTDRUGID D0F1CE DR1877 DFORMULA C25H24F3N3O2 DR1877 INCHIKEY GXALXAKNHIROPE-UHFFFAOYSA-N DR1877 DRUINCHI 1S/C25H24F3N3O2/c26-25(27,28)23-12-10-21(15-30-23)31-20-9-11-22(29-14-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-24(32)33/h5-12,14-17,31H,1-4,13H2,(H,32,33)/t16-,17- DR1877 CASMILES C1CC(CCC1CC(=O)O)C2=CC=C(C=C2)C3=NC=C(C=C3)NC4=CN=C(C=C4)C(F)(F)F DR1877 CAS__NUM CAS 956136-95-1 DR1878 DRUG__ID DR1878 DR1878 DRUGNAME LY-2484595 DR1878 PUBCMCID 49836058 DR1878 TTDRUGID D02XXN DR1878 DFORMULA C31H36F6N6O2 DR1878 INCHIKEY IHIUGIVXARLYHP-UXNJHFGPSA-N DR1878 DRUINCHI 1S/C31H36F6N6O2/c1-18-11-19(2)27-25(12-18)26(5-4-10-42(27)16-20-6-8-22(9-7-20)28(44)45)43(29-38-40-41(3)39-29)17-21-13-23(30(32,33)34)15-24(14-21)31(35,36)37/h11-15,20,22,26H,4-10,16-17H2,1-3H3,(H,44,45)/t20?,22?,26-/m0/s1 DR1878 CASMILES CC1=CC(=C2C(=C1)C(CCCN2CC3CCC(CC3)C(=O)O)N(CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=NN(N=N5)C)C DR1878 CAS__NUM CAS 1186486-62-3 DR1878 PUBCMSID 103911733; 135268436; 135626839; 137240261; 141386796; 141386797; 152258542; 160647376; 160699241; 160860498; 161005253; 162221695; 164194109; 170504191; 172096382; 198940733; 223390433; 223471431; 224462115; 225848218; 226482340; 226482535; 226508337; 244317218; 248331392; 249734743; 252155357; 252160892; 252166611; 252215734; 252471646; 252810963 DR1879 DRUG__ID DR1879 DR1879 DRUGNAME BAY-8697661 DR1879 PUBCMCID 44182295 DR1879 TTDRUGID D03SKL DR1879 DFORMULA C19H20F3IN2O5S DR1879 INCHIKEY RDSACQWTXKSHJT-NSHDSACASA-N DR1879 DRUINCHI 1S/C19H20F3IN2O5S/c1-30-15-7-13(21)16(22)18(24-14-3-2-10(23)6-12(14)20)17(15)25-31(28,29)19(4-5-19)8-11(27)9-26/h2-3,6-7,11,24-27H,4-5,8-9H2,1H3/t11-/m0/s1 DR1879 CASMILES COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)CC(CO)O)NC3=C(C=C(C=C3)I)F)F)F DR1879 CAS__NUM CAS 923032-37-5 DR1879 PUBCMSID 85177011; 89943266; 124899205; 135264395; 137275836; 140908101; 162037702; 163563839; 170482249; 186000966; 198043957; 198960555;210275127; 210280766; 224705491; 226680221; 242059802; 245093467; 249565625; 249623782; 252216184; 252451591; 252470677 DR1880 DRUG__ID DR1880 DR1880 DRUGNAME CYT-387 DR1880 PUBCMCID 25062766 DR1880 TTDRUGID D0D5ZJ DR1880 DFORMULA C23H22N6O2 DR1880 INCHIKEY ZVHNDZWQTBEVRY-UHFFFAOYSA-N DR1880 DRUINCHI 1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) DR1880 CASMILES C1COCCN1C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)C(=O)NCC#N DR1880 CAS__NUM CAS 1056634-68-4 DR1880 CHEBINUM 91407 DR1880 PUBCMSID 56399705; 57547838; 103743167; 104145378; 124360692; 124757657; 125164461; 125329924; 126626053; 135264539; 135685340; 135685341; 135685358; 136340258; 136349480; 136367611; 136920393; 137275866; 141008222; 144115871; 152044043; 152258277; 152344050; 160647116; 160832829; 162011551; 162037827; 162108949; 162202685; 163095742; 163312345; 163397224; 163908034; 164045353; 164194015; 170497647; 172918915; 174561051; 177749171; 180386993; 186014831; 198982471; 204365729; 223366122; 223377998; 223617445; 223653818; 223705187; 228364131; 242060323 DR1881 DRUG__ID DR1881 DR1881 DRUGNAME Al3-818 DR1881 PUBCMCID 25017411 DR1881 TTDRUGID D0G2CG DR1881 DFORMULA C23H22FN3O3 DR1881 INCHIKEY KSMZEXLVHXZPEF-UHFFFAOYSA-N DR1881 DRUINCHI 1S/C23H22FN3O3/c1-13-9-15-16(27-13)3-4-19(22(15)24)30-18-5-8-26-17-11-21(20(28-2)10-14(17)18)29-12-23(25)6-7-23/h3-5,8-11,27H,6-7,12,25H2,1-2H3 DR1881 CASMILES CC1=CC2=C(N1)C=CC(=C2F)OC3=C4C=C(C(=CC4=NC=C3)OCC5(CC5)N)OC DR1881 CAS__NUM CAS 1058156-90-3 DR1882 DRUG__ID DR1882 DR1882 DRUGNAME TAK-875 DR1882 PUBCMCID 24857286 DR1882 TTDRUGID D0V1WQ DR1882 DFORMULA C29H32O7S DR1882 INCHIKEY BZCALJIHZVNMGJ-HSZRJFAPSA-N DR1882 DRUINCHI 1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1 DR1882 CASMILES CC1=CC(=CC(=C1C2=CC=CC(=C2)COC3=CC4=C(C=C3)C(CO4)CC(=O)O)C)OCCCS(=O)(=O)C DR1882 CAS__NUM CAS 1000413-72-8 DR1882 PUBCMSID 50088191; 57154181; 134464228; 135268194; 136349531; 136367662; 140817135; 143499812; 152233038; 152258229; 160647065; 160865873; 162011413; 162202766; 164044689; 170501170; 172232430; 172919610; 174006778; 174525708; 174526154; 178103098; 185967135; 191112353; 196409677; 198984389; 203355926; 223375341; 224346112; 226560798; 242587051; 245772988; 249735423; 252110185; 252151428; 252216368; 252450486; 252810271 DR1883 DRUG__ID DR1883 DR1883 DRUGNAME LU-AE58054 DR1883 PUBCMCID 21071390 DR1883 TTDRUGID D09IRN DR1883 DFORMULA C20H19F5N2O DR1883 INCHIKEY YBAWYTYNMZWMMJ-UHFFFAOYSA-N DR1883 DRUINCHI 1S/C20H19F5N2O/c21-15-4-5-17-14(11-27-18(17)9-15)6-7-26-10-13-2-1-3-16(8-13)28-12-20(24,25)19(22)23/h1-5,8-9,11,19,26-27H,6-7,10,12H2 DR1883 CASMILES C1=CC(=CC(=C1)OCC(C(F)F)(F)F)CNCCC2=CNC3=C2C=CC(=C3)F DR1883 CAS__NUM CAS 467459-31-0 DR1883 PUBCMSID 34805293; 99346553; 103930677; 139482605; 163620785; 163642377; 163686110; 172915404; 186007061; 196409622; 198939679; 206261456; 225128104; 227047063; 242645353; 244426465; 252166889; 252482022 DR1884 DRUG__ID DR1884 DR1884 DRUGNAME MK-0859 DR1884 PUBCMCID 11556427 DR1884 TTDRUGID D07HLS DR1884 DFORMULA C30H25F10NO3 DR1884 INCHIKEY MZZLGJHLQGUVPN-HAWMADMCSA-N DR1884 DRUINCHI 1S/C30H25F10NO3/c1-14(2)22-11-23(25(43-4)12-24(22)31)21-6-5-18(28(32,33)34)9-17(21)13-41-15(3)26(44-27(41)42)16-7-19(29(35,36)37)10-20(8-16)30(38,39)40/h5-12,14-15,26H,13H2,1-4H3/t15-,26-/m0/s1 DR1884 CASMILES CC1C(OC(=O)N1CC2=C(C=CC(=C2)C(F)(F)F)C3=CC(=C(C=C3OC)F)C(C)C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F DR1884 CAS__NUM CAS 875446-37-0 DR1884 PUBCMSID 16658560; 23677163; 42698323; 57376836; 77084272; 96025538; 125240981; 125299337; 126671698; 126731193; 134338754; 134449322; 135252031; 135723595; 135727855; 136340336; 136354914; 136367491; 136368100; 136988957; 137140669; 140430199; 144115606; 152258394; 152344255; 160647231; 162011426; 162038221; 162205119; 164023422; 164194107; 164835813; 164835814; 170499297; 174007279; 174531057; 198963790; 198991968; 203355967; 205994811; 223381545; 223435184; 223683902; 223704791; 224000756; 226842677; 242591118; 242786119;249736586; 249821974 DR1885 DRUG__ID DR1885 DR1885 DRUGNAME DEB-025 DR1885 PUBCMCID 11513676 DR1885 TTDRUGID D0CE0O DR1885 DFORMULA C63H113N11O12 DR1885 INCHIKEY OLROWHGDTNFZBH-XEMWPYQTSA-N DR1885 DRUINCHI 1S/C63H113N11O12/c1-26-29-30-40(16)52(75)51-56(79)66-44(27-2)59(82)68(20)43(19)58(81)74(28-3)49(38(12)13)55(78)67-48(37(10)11)62(85)69(21)45(31-34(4)5)54(77)64-41(17)53(76)65-42(18)57(80)70(22)46(32-35(6)7)60(83)71(23)47(33-36(8)9)61(84)72(24)50(39(14)15)63(86)73(51)25/h26,29,34-52,75H,27-28,30-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b29-26+/t40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1 DR1885 CASMILES CCC1C(=O)N(C(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)C(C)C)CC)C)C DR1885 CAS__NUM CAS 254435-95-5 DR1886 DRUG__ID DR1886 DR1886 DRUGNAME AZD-2171 DR1886 PUBCMCID 9933475 DR1886 TTDRUGID D09VMI DR1886 DFORMULA C25H27FN4O3 DR1886 INCHIKEY XXJWYDDUDKYVKI-UHFFFAOYSA-N DR1886 DRUINCHI 1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3 DR1886 CASMILES CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5 DR1886 CAS__NUM CAS 288383-20-0 DR1886 CHEBINUM 94782 DR1886 PUBCMSID 14906490; 24208254; 26746631; 57373832; 75977042; 96025564; 96079499; 99432367; 103592924; 103905340; 109692967; 123110211; 124756936; 124766796; 125163743; 126666991; 126730931; 129754723; 131465106; 134221888; 134339006; 134964400; 135194712; 135697662; 135727476; 136368003; 136920391; 137006068; 137275941; 139208216; 144115802; 152258121; 152344142; 160646960; 162011780; 162037386; 162200059; 163884606; 164041832; 174528685; 175426860; 177748726; 178102292; 180190844;185998790; 187071991; 198958766; 198993121; 203355740; 223384883 DR1887 DRUG__ID DR1887 DR1887 DRUGNAME Neratinib DR1887 PUBCMCID 9915743 DR1887 TTDRUGID D0Q9CY DR1887 DFORMULA C30H29ClN6O3 DR1887 INCHIKEY JWNPDZNEKVCWMY-VQHVLOKHSA-N DR1887 DRUINCHI 1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+ DR1887 CASMILES CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)C=CCN(C)C DR1887 CAS__NUM CAS 677007-74-8 DR1887 CHEBINUM 61397 DR1887 PUBCMSID 14886227; 24194959; 45987396; 76593408; 96025633; 103441767; 104048227; 104253482; 109693540; 121277958; 123055351; 124757612; 124950160; 125164416; 126665957; 126731400; 131477696; 134342020; 134964338; 135252601; 135727425; 136348728; 136367583; 136367864; 137006066; 139363252; 143497501; 144116272; 152186746; 152234948; 152258784; 152344179; 160647635; 162011383; 162037785; 162200061; 163883153; 164041890; 172914303; 174530425; 177748696; 178102313; 180371634; 185978452; 198962615; 223381071; 223471413; 223679237; 226878157; 226878158 DR1888 DRUG__ID DR1888 DR1888 DRUGNAME LY-450139 DR1888 PUBCMCID 9843750 DR1888 TTDRUGID D01LXD DR1888 DFORMULA C19H27N3O4 DR1888 INCHIKEY PKXWXXPNHIWQHW-RCBQFDQVSA-N DR1888 DRUINCHI 1S/C19H27N3O4/c1-11(2)16(23)18(25)20-12(3)17(24)21-15-14-8-6-5-7-13(14)9-10-22(4)19(15)26/h5-8,11-12,15-16,23H,9-10H2,1-4H3,(H,20,25)(H,21,24)/t12-,15-,16-/m0/s1 DR1888 CASMILES CC(C)C(C(=O)NC(C)C(=O)NC1C2=CC=CC=C2CCN(C1=O)C)O DR1888 CAS__NUM CAS 425386-60-3 DR1888 CHEBINUM 131158 DR1888 PUBCMSID 14852546; 15298679; 24141417; 44941822; 56310608; 58098132; 75205756; 76715574; 93619014; 96026057; 103584279; 104253240; 118050330; 123051050; 124757363; 125164167; 126596747; 126647846; 126671457; 126731355; 135253081; 135263921; 136348262; 136367557; 136367887; 137164588; 141908225; 143497999; 144116177; 152063993; 152164535; 152236436; 152258054; 152344379; 160646892; 162011753; 162037681; 162114365; 162202739; 163108946; 164044680; 164194128; 164210341; 164834023; 170558965; 174006702; 174529363; 178103557; 184823811; 188900006 DR1889 DRUG__ID DR1889 DR1889 DRUGNAME PNU-95666 DR1889 PUBCMCID 9818479 DR1889 TTDRUGID D07YVK DR1889 DFORMULA C11H13N3O DR1889 INCHIKEY RKZSNTNMEFVBDT-MRVPVSSYSA-N DR1889 DRUINCHI 1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1 DR1889 CASMILES CNC1CC2=C3C(=CC=C2)NC(=O)N3C1 DR1889 CAS__NUM CAS 179386-43-7 DR1889 PUBCMSID 14797551; 15195581; 24122573; 44854443; 75621928; 103357480; 103952699; 129144523; 134224983; 134340821; 135261297; 141993172; 160835859; 163097331; 163399818; 163773618; 163846019; 164765184; 172914815; 174006884; 178100776; 198967559; 204431143; 210276636; 223556709; 225376294; 226518850; 242589478 DR1890 DRUG__ID DR1890 DR1890 DRUGNAME JTT-705 DR1890 PUBCMCID 6918540 DR1890 TTDRUGID D05SSC DR1890 DFORMULA C23H35NO2S DR1890 INCHIKEY YZQLWPMZQVHJED-UHFFFAOYSA-N DR1890 DRUINCHI 1S/C23H35NO2S/c1-5-18(6-2)16-23(14-10-7-11-15-23)22(26)24-19-12-8-9-13-20(19)27-21(25)17(3)4/h8-9,12-13,17-18H,5-7,10-11,14-16H2,1-4H3,(H,24,26) DR1890 CASMILES CCC(CC)CC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C(C)C DR1890 CAS__NUM CAS 211513-37-0 DR1890 CHEBINUM 95001 DR1890 PUBCMSID 12015448; 14927643; 17194949; 43529910; 57371967; 79689040; 103294369; 103990387; 114788136; 124490448; 126671653; 126731316; 129871265; 134339100; 135261049; 136367976; 137157003; 142130542; 143495520; 144115880; 144221104; 152106359; 152159578; 152234923; 152258615; 160647450; 162011639; 162205179; 162221183; 163914131; 164194108; 165246672; 170498253; 174528320; 177748646; 180387047; 185972146; 198984686; 198991964; 223471416; 223664086; 226840175; 241051420; 251971148; 252160607; 252215631; 252314519 DR1891 DRUG__ID DR1891 DR1891 DRUGNAME YKP-509 DR1891 PUBCMCID 6918474 DR1891 TTDRUGID D0S0FZ DR1891 DFORMULA C9H10ClNO3 DR1891 INCHIKEY OLBWFRRUHYQABZ-MRVPVSSYSA-N DR1891 DRUINCHI 1S/C9H10ClNO3/c10-7-4-2-1-3-6(7)8(12)5-14-9(11)13/h1-4,8,12H,5H2,(H2,11,13)/t8-/m1/s1 DR1891 CASMILES C1=CC=C(C(=C1)C(COC(=O)N)O)Cl DR1891 CAS__NUM CAS 194085-75-1 DR1891 CHEBINUM 135966 DR1891 PUBCMSID 12015336; 14818877; 15172026; 17194912; 43529844; 47208229; 57371948; 79488142; 114788030; 128824565; 134223530; 134339232; 135213416; 140097639; 160670319; 164837840; 184528548; 198974092; 198991959; 223366886; 225025837; 227016974; 247473631; 252552117 DR1892 DRUG__ID DR1892 DR1892 DRUGNAME DB-289 DR1892 PUBCMCID 5480200 DR1892 TTDRUGID D09DJO DR1892 DFORMULA C20H20N4O3 DR1892 INCHIKEY UKOQVLAXCBRRGH-UHFFFAOYSA-N DR1892 DRUINCHI 1S/C20H20N4O3/c1-25-23-19(21)15-7-3-13(4-8-15)17-11-12-18(27-17)14-5-9-16(10-6-14)20(22)24-26-2/h3-12H,1-2H3,(H2,21,23)(H2,22,24) DR1892 CASMILES CON=C(C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)C(=NOC)N)N DR1892 CAS__NUM CAS 186953-56-0 DR1893 DRUG__ID DR1893 DR1893 DRUGNAME LAU-7b DR1893 PUBCMCID 5288209 DR1893 TTDRUGID D08JAC DR1893 DFORMULA C26H33NO2 DR1893 INCHIKEY AKJHMTWEGVYYSE-FXILSDISSA-N DR1893 DRUINCHI 1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+ DR1893 CASMILES CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)NC2=CC=C(C=C2)O)C)C DR1893 CAS__NUM CAS 65646-68-6 DR1893 CHEBINUM 42588 DR1894 DRUG__ID DR1894 DR1894 DRUGNAME ABT-761 DR1894 PUBCMCID 3086671 DR1894 TTDRUGID D08PXR DR1894 DFORMULA C16H15FN2O2S DR1894 INCHIKEY MMSNEKOTSJRTRI-LLVKDONJSA-N DR1894 DRUINCHI 1S/C16H15FN2O2S/c1-11(19(21)16(18)20)2-7-14-8-9-15(22-14)10-12-3-5-13(17)6-4-12/h3-6,8-9,11,21H,10H2,1H3,(H2,18,20)/t11-/m1/s1 DR1894 CASMILES CC(C#CC1=CC=C(S1)CC2=CC=C(C=C2)F)N(C(=O)N)O DR1894 CAS__NUM CAS 154355-76-7 DR1894 PUBCMSID 7980075; 9472221; 14752573; 14776909; 17397166; 36416401; 50313646; 103249914; 103938801; 111695364; 128618105; 134338971; 135236135; 135281870; 137263446; 140137145; 162796536; 179149996; 196409707; 198960908; 224997309; 228247286 DR1895 DRUG__ID DR1895 DR1895 DRUGNAME Delafloxacin DR1895 PUBCMCID 487101 DR1895 TTDRUGID D0V9BU DR1895 DFORMULA C18H12ClF3N4O4 DR1895 INCHIKEY DYDCPNMLZGFQTM-UHFFFAOYSA-N DR1895 DRUINCHI 1S/C18H12ClF3N4O4/c19-12-13-7(1-9(20)14(12)25-3-6(27)4-25)15(28)8(18(29)30)5-26(13)17-11(22)2-10(21)16(23)24-17/h1-2,5-6,27H,3-4H2,(H2,23,24)(H,29,30) DR1895 CASMILES C1C(CN1C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4=C(C=C(C(=N4)N)F)F)F)O DR1895 CAS__NUM CAS 189279-58-1 DR1895 PUBCMSID 646602; 10311065; 12015118; 14905930; 38676487; 50206944; 57405714; 96026010; 104253207; 109746350; 124757333; 125164137;125682121; 127803836; 134339651; 135305729; 135727824; 136348793; 136367460; 137125785; 143019188; 160692685; 162037661; 162808403; 164041736; 186007034; 198935565; 223393852; 225060894; 226636512; 251962932; 251971036; 252091238; 252165730; 252214647; 252552924 DR1896 DRUG__ID DR1896 DR1896 DRUGNAME SHP-620 DR1896 PUBCMCID 471161 DR1896 TTDRUGID D07WXI DR1896 DFORMULA C15H19Cl2N3O4 DR1896 INCHIKEY KJFBVJALEQWJBS-XUXIUFHCSA-N DR1896 DRUINCHI 1S/C15H19Cl2N3O4/c1-6(2)18-15-19-9-3-7(16)8(17)4-10(9)20(15)14-13(23)12(22)11(5-21)24-14/h3-4,6,11-14,21-23H,5H2,1-2H3,(H,18,19)/t11-,12-,13-,14-/m0/s1 DR1896 CASMILES CC(C)NC1=NC2=CC(=C(C=C2N1C3C(C(C(O3)CO)O)O)Cl)Cl DR1896 CAS__NUM CAS 176161-24-3 DR1896 PUBCMSID 626300; 10306757; 12015036; 14804326; 14853350; 47206634; 50521885; 57405610; 71821537; 93302821; 103651231; 103842355; 109755304; 117368779; 118047322; 126629454; 128390115; 134339815; 134340205; 135078600; 137263772; 137267657; 142220709; 152101613; 160839470; 163099359; 163402541; 164824892; 184528158; 184546347; 198936541; 204433727; 210275491; 210281139; 223554910; 225069495; 227071991; 252345516; 252511550 DR1897 DRUG__ID DR1897 DR1897 DRUGNAME Iclaprim DR1897 PUBCMCID 213043 DR1897 TTDRUGID D04LBC DR1897 DFORMULA C19H22N4O3 DR1897 INCHIKEY HWJPWWYTGBZDEG-UHFFFAOYSA-N DR1897 DRUINCHI 1S/C19H22N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23) DR1897 CASMILES COC1=C(C2=C(C=CC(O2)C3CC3)C(=C1)CC4=CN=C(N=C4N)N)OC DR1897 CAS__NUM CAS 192314-93-5 DR1897 CHEBINUM 131751 DR1897 PUBCMSID 3718053; 9371111; 12015142; 14827948; 30417281; 46518185; 51856367; 57399657; 96025024; 103143359; 103370169; 113453161;117521375; 125714602; 128122761; 134339306; 135187737; 137248747; 141423211; 162809288; 164761119; 179322565; 204371120; 225211772; 226710564; 237913562 DR1898 DRUG__ID DR1898 DR1898 DRUGNAME LY-317615 DR1898 PUBCMCID 176167 DR1898 TTDRUGID D0I6VU DR1898 DFORMULA C32H29N5O2 DR1898 INCHIKEY AXRCEOKUDYDWLF-UHFFFAOYSA-N DR1898 DRUINCHI 1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39) DR1898 CASMILES CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7 DR1898 CAS__NUM CAS 170364-57-5 DR1898 CHEBINUM 91368 DR1898 PUBCMSID 10258360; 14811491; 33499842; 50653190; 57288469; 92722604; 99436960; 103240316; 104020050; 104425375; 118855345; 124756967; 125163772; 125434326; 126627253; 126666986; 131465124; 134338799; 134964387; 135237310; 135686208; 135686209; 135686224; 135686225; 136340265; 136367952; 136920322; 137248831; 137275839; 142964159; 143498272; 144115944; 144206918; 152134183; 152233034; 152258187; 152344347; 152344363; 160647023; 160814256; 162011915; 162037408; 162191234; 162801883; 163372664; 163894051; 164840960; 170465609; 172913635; 174527910 DR1899 DRUG__ID DR1899 DR1899 DRUGNAME ABT-627 DR1899 PUBCMCID 159594 DR1899 TTDRUGID D0Y6UU DR1899 DFORMULA C29H38N2O6 DR1899 INCHIKEY MOTJMGVDPWRKOC-QPVYNBJUSA-N DR1899 DRUINCHI 1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1 DR1899 CASMILES CCCCN(CCCC)C(=O)CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4 DR1899 CAS__NUM CAS 195733-43-8 DR1899 CHEBINUM 135810 DR1899 PUBCMSID 535748; 10253652; 12014999; 14811316; 14909273; 46234806; 50068170; 50253083; 53788137; 53789849; 57348721; 103168476; 103948098; 113442732; 127346318; 128626310; 134338952; 134339653; 135115498; 135325628; 137006712; 141972835; 163620866; 163686195; 178100477; 179150068; 185974011; 198977266; 224005477; 226421083 DR1900 DRUG__ID DR1900 DR1900 DRUGNAME DX-8951 DR1900 PUBCMCID 151115 DR1900 TTDRUGID D01FUC DR1900 DFORMULA C24H22FN3O4 DR1900 INCHIKEY ZVYVPGLRVWUPMP-FYSMJZIKSA-N DR1900 DRUINCHI 1S/C24H22FN3O4/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19/h6-7,16,31H,3-5,8-9,26H2,1-2H3/t16-,24-/m0/s1 DR1900 CASMILES CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O DR1900 CAS__NUM CAS 171335-80-1 DR1900 CHEBINUM 135709 DR1901 DRUG__ID DR1901 DR1901 DRUGNAME BNP-1350 DR1901 PUBCMCID 148202 DR1901 TTDRUGID D02CZK DR1901 DFORMULA C25H28N2O4Si DR1901 INCHIKEY POADTFBBIXOWFJ-VWLOTQADSA-N DR1901 DRUINCHI 1S/C25H28N2O4Si/c1-5-25(30)19-12-21-22-17(13-27(21)23(28)18(19)14-31-24(25)29)15(10-11-32(2,3)4)16-8-6-7-9-20(16)26-22/h6-9,12,30H,5,10-11,13-14H2,1-4H3/t25-/m0/s1 DR1901 CASMILES CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)CC[Si](C)(C)C)O DR1901 CAS__NUM CAS 203923-89-1 DR1901 PUBCMSID 530668; 10249845; 11443149; 14906395; 46225149; 50873155; 57346730; 96026007; 104418481; 126681210; 135105770; 140587255; 172918703; 175427037; 184826536; 198949673; 223663599; 228436255; 241051100; 242534801; 246301288; 252215634 DR1902 DRUG__ID DR1902 DR1902 DRUGNAME AD-5423 DR1902 PUBCMCID 125564 DR1902 TTDRUGID D08GJH DR1902 DFORMULA C23H30FN3 DR1902 INCHIKEY XVGOZDAJGBALKS-UHFFFAOYSA-N DR1902 DRUINCHI 1S/C23H30FN3/c1-2-26-13-15-27(16-14-26)23-17-21(18-9-11-19(24)12-10-18)20-7-5-3-4-6-8-22(20)25-23/h9-12,17H,2-8,13-16H2,1H3 DR1902 CASMILES CCN1CCN(CC1)C2=NC3=C(CCCCCC3)C(=C2)C4=CC=C(C=C4)F DR1902 CAS__NUM CAS 132810-10-7 DR1902 CHEBINUM 31296 DR1902 PUBCMSID 7848239; 10241370; 12014539; 14755159; 29305337; 47731227; 48329041; 49958772; 50834549; 57341408; 85210029; 92718895; 93309642; 99299305; 103443179; 104047267; 104361634; 109693023; 124766870; 124772061; 124894573; 126573701; 126628409; 126651438; 126651852; 126669973; 126732498; 129746063; 134222317; 134339225; 135080521; 135916580; 137006969; 144206818; 162012053; 162172135; 162248934; 164836972; 179149822; 196106488; 196367532; 198982671; 210274889; 210280524; 211534961; 223366005; 223383025; 223657861; 226491379;252160945 DR1903 DRUG__ID DR1903 DR1903 DRUGNAME TXA-127 DR1903 PUBCMCID 123805 DR1903 TTDRUGID D0MH8O DR1903 DFORMULA C41H62N12O11 DR1903 INCHIKEY PVHLMTREZMEJCG-GDTLVBQBSA-N DR1903 DRUINCHI 1S/C41H62N12O11/c1-5-22(4)33(38(61)50-29(17-24-19-45-20-47-24)39(62)53-15-7-9-30(53)40(63)64)52-36(59)28(16-23-10-12-25(54)13-11-23)49-37(60)32(21(2)3)51-35(58)27(8-6-14-46-41(43)44)48-34(57)26(42)18-31(55)56/h10-13,19-22,26-30,32-33,54H,5-9,14-18,42H2,1-4H3,(H,45,47)(H,48,57)(H,49,60)(H,50,61)(H,51,58)(H,52,59)(H,55,56)(H,63,64)(H4,43,44,46)/t22-,26-,27-,28-,29-,30-,32-,33-/m0/s1 DR1903 CASMILES CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N DR1903 CAS__NUM CAS 39386-80-6 DR1903 CHEBINUM 55438 DR1903 PUBCMSID 14889691; 14938661; 29303996; 47205170; 50070389; 50070541; 50071317; 50112515; 74375902; 80118902; 87351979; 104419365; 126686943; 134223321; 135079217; 135232468; 135651614; 136351656; 137156831; 163423858; 184605749; 223672217; 240852277; 241091408; 241182531; 241375500; 249617335; 252392657; 252477658 DR1904 DRUG__ID DR1904 DR1904 DRUGNAME PG-490 DR1904 PUBCMCID 107985 DR1904 TTDRUGID D0I6LH DR1904 DFORMULA C20H24O6 DR1904 INCHIKEY DFBIRQPKNDILPW-CIVMWXNOSA-N DR1904 DRUINCHI 1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1 DR1904 CASMILES CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2O)O7)COC6=O)C DR1904 CAS__NUM CAS 38748-32-2 DR1904 CHEBINUM 9747 DR1904 PUBCMSID 11395; 438041; 10234537; 11121660; 11122140; 11362729; 11365291; 11367853; 11370729; 11370730; 11373454; 11376015; 11405618; 12013260; 14779021; 14828264; 26719814; 26756783; 26756784; 26759658; 44436900; 46386571; 47365335; 47736626; 49681800; 50058638; 50111424; 50148737; 53789857; 56313788; 57338365; 85788263; 92308503; 92310011; 99300923; 99302443; 103068676; 103080993; 103485733; 103911627; 104098578; 104380207; 117586588; 119526503; 124658951; 126645420; 126662434; 131404642; 134954205; 135066429 DR1905 DRUG__ID DR1905 DR1905 DRUGNAME LAS-17177 DR1905 PUBCMCID 68867 DR1905 TTDRUGID D0L3EO DR1905 DFORMULA C21H30N4O4 DR1905 INCHIKEY ZDLBNXXKDMLZMF-UHFFFAOYSA-N DR1905 DRUINCHI 1S/C21H30N4O4/c1-2-29-20-13-18(22)19(25(27)28)12-17(20)21(26)23-16-8-10-24(11-9-16)14-15-6-4-3-5-7-15/h3-4,12-13,15-16H,2,5-11,14,22H2,1H3,(H,23,26) DR1905 CASMILES CCOC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3CCC=CC3)[N+](=O)[O-])N DR1905 CAS__NUM CAS 66564-14-5 DR1905 CHEBINUM 135642 DR1905 PUBCMSID 8192404; 15079777; 43125380; 50306778; 51091999; 57317118; 87692390; 103823385; 104343273; 117379540; 135026488; 135029027; 135367578; 136006041; 136946491; 137138357; 137213478; 144115833; 152049161; 160708580; 160969717; 162178723; 164838455; 175427098; 179150888; 226793538; 241117457 DR1906 DRUG__ID DR1906 DR1906 DRUGNAME LAS-X-113 DR1906 PUBCMCID 65820 DR1906 TTDRUGID D0LK4X DR1906 DFORMULA C32H37NO4 DR1906 INCHIKEY XGHOVGYJHWQGCC-UHFFFAOYSA-N DR1906 DRUINCHI 1S/C32H37NO4/c1-32(2,31(35)36)27-17-15-24(16-18-27)29(34)14-9-21-33-22-19-28(20-23-33)37-30(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-13,15-18,28,30H,9,14,19-23H2,1-2H3,(H,35,36) DR1906 CASMILES CC(C)(C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O DR1906 CAS__NUM CAS 90729-42-3 DR1906 PUBCMSID 8189959; 14933281; 43122562; 50065373; 57315754; 76260521; 96021045; 96099827; 99004171; 103266610; 104179142; 104334739; 129684714; 134339231; 135025191; 142347591; 162257944; 163133382; 163414205; 163849080; 164837836; 172871484; 179151417; 184819506; 198947536; 223558138; 224702662; 226408527; 252347033; 252487442 DR1907 DRUG__ID DR1907 DR1907 DRUGNAME KW-3902 DR1907 PUBCMCID 64627 DR1907 TTDRUGID D0X0IY DR1907 DFORMULA C20H28N4O2 DR1907 INCHIKEY PJBFVWGQFLYWCB-UHFFFAOYSA-N DR1907 DRUINCHI 1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22) DR1907 CASMILES CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CC5CC(C3)CC4C5 DR1907 CAS__NUM CAS 136199-02-5 DR1907 PUBCMSID 8189215; 12014585; 14828063; 43121521; 50027933; 57315094; 75918570; 85210038; 96025672; 103234175; 103917051; 104331610; 117600080; 125823156; 128923271; 134224383; 134339133; 134339318; 134339401; 135022015; 137124824; 139358810; 160676374; 175426983; 178102238; 179149860; 227009357; 238445391; 241033164; 241376845; 249618094; 252157840; 252160290 DR1908 DRUG__ID DR1908 DR1908 DRUGNAME PR-934423 DR1908 PUBCMCID 60511 DR1908 TTDRUGID D05JET DR1908 DFORMULA C17H20N2O DR1908 INCHIKEY YSGASDXSLKIKOD-UHFFFAOYSA-N DR1908 DRUINCHI 1S/C17H20N2O/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12-13,18H2,1H3,(H,19,20) DR1908 CASMILES CC(CC1=CC=CC=C1)(C2=CC=CC=C2)NC(=O)CN DR1908 CAS__NUM CAS 128298-28-2 DR1908 CHEBINUM 91654 DR1908 PUBCMSID 6257068; 8186897; 14848312; 43117902; 49858030; 49858031; 49858032; 50787713; 57314025; 85788157; 90490603; 92729779; 103199491; 104320951; 125823975; 126682339; 129840666; 131297093; 135047599; 135203406; 135203407; 142472738; 173894588; 179080708; 179577889; 203098689; 223657235; 226516225; 249995109; 252770057 DR1909 DRUG__ID DR1909 DR1909 DRUGNAME HSDB-223 DR1909 PUBCMCID 5333 DR1909 TTDRUGID D0T8BA DR1909 DFORMULA C6H8N2O2S DR1909 INCHIKEY FDDDEECHVMSUSB-UHFFFAOYSA-N DR1909 DRUINCHI 1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10) DR1909 CASMILES C1=CC(=CC=C1N)S(=O)(=O)N DR1909 CAS__NUM CAS 423136-40-7 DR1909 CHEBINUM 45373 DR1909 PUBCMSID 9661; 73452; 588082; 608543; 866440; 3134404; 4492185; 7885628; 7890374; 7980703; 8149606; 8153275; 10321137; 10531344; 11112170; 11335703; 11360942; 11363383; 11365945; 11368507; 11372371; 11374094; 11376669; 11461914; 11466757; 11467877; 11484567; 11486333; 11488662; 11491221; 11492213; 11494303; 14748191; 16957260; 17389527; 24860368; 24870531; 24899829; 26612000; 26679377; 26697120; 26702537; 26704167; 26747313; 26747314; 29224387; 32447070; 46508306; 46511429; 47193670 DR1910 DRUG__ID DR1910 DR1910 DRUGNAME HSDB-3466 DR1910 PUBCMCID 2355 DR1910 TTDRUGID D0QR5G DR1910 DFORMULA C12H8O4 DR1910 INCHIKEY BGEBZHIAGXMEMV-UHFFFAOYSA-N DR1910 DRUINCHI 1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3 DR1910 CASMILES COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 DR1910 CAS__NUM CAS 484-20-8 DR1910 CHEBINUM 18293 DR1911 DRUG__ID DR1911 DR1911 DRUGNAME BST-4001 DR1911 PUBCMCID 1052 DR1911 TTDRUGID D02YPU DR1911 DFORMULA C8H12N2O2 DR1911 INCHIKEY NHZMQXZHNVQTQA-UHFFFAOYSA-N DR1911 DRUINCHI 1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3 DR1911 CASMILES CC1=NC=C(C(=C1O)CN)CO DR1911 CAS__NUM CAS 98-96-4 DR1911 CHEBINUM 16410 DR1911 PUBCMSID 3816; 831723; 835061; 835065; 835069; 4252720; 4451228; 7890124; 8143574; 8150947; 10319847; 10537035; 11142447; 11406185; 11457881; 11459944; 15194988; 24305802; 24439405; 26651867; 29196271; 29196274; 47217156; 49737755; 50070585; 50071196; 50108077; 50397717; 53776771; 57320699; 57566563; 57641282; 85089056; 85164961; 91056273; 92298009; 103717483; 104296624; 104813139; 118299127; 124635911; 124877191; 125616993; 126524049; 126671835; 127280580; 127280581; 127280582; 127280583; 127329709 DR1912 DRUG__ID DR1912 DR1912 DRUGNAME FT-0755769 DR1912 PUBCMCID 312 DR1912 TTDRUGID D07QKK DR1912 DFORMULA Cl- DR1912 INCHIKEY VEXZGXHMUGYJMC-UHFFFAOYSA-M DR1912 DRUINCHI 1S/ClH/h1H/p-1 DR1912 CASMILES [Cl-] DR1912 CAS__NUM CAS 16887-00-6 DR1912 CHEBINUM 17996 DR1913 DRUG__ID DR1913 DR1913 DRUGNAME Silymarin DR1913 PUBCMCID 44147684 DR1913 TTDRUGID D0AZ8C DR1913 DFORMULA C25H22O10 DR1913 INCHIKEY SEBFKMXJBCUCAI-VGHNRKBZSA-N DR1913 DRUINCHI 1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23?,24+,25-/m0/s1 DR1913 CASMILES COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O DR1913 CAS__NUM CAS 22888-70-6 DR1913 PUBCMSID 126683925; 131322744; 164830271; 223682946 DR1914 DRUG__ID DR1914 DR1914 DRUGNAME Imrecoxib DR1914 PUBCMCID 11682175 DR1914 TTDRUGID D0AL8M DR1914 DFORMULA C21H23NO3S DR1914 INCHIKEY AXMZZGKKZDJGAZ-UHFFFAOYSA-N DR1914 DRUINCHI 1S/C21H23NO3S/c1-4-13-22-14-19(16-9-11-18(12-10-16)26(3,24)25)20(21(22)23)17-7-5-15(2)6-8-17/h5-12H,4,13-14H2,1-3H3 DR1914 CASMILES CCCN1CC(=C(C1=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)S(=O)(=O)C DR1914 CAS__NUM CAS 395683-14-4 DR1914 CHEBINUM 68602 DR1915 DRUG__ID DR1915 DR1915 DRUGNAME Mosapride DR1915 PUBCMCID 119584 DR1915 TTDRUGID D06PZN DR1915 DFORMULA C21H25ClFN3O3 DR1915 INCHIKEY YPELFRMCRYSPKZ-UHFFFAOYSA-N DR1915 DRUINCHI 1S/C21H25ClFN3O3/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27) DR1915 CASMILES CCOC1=CC(=C(C=C1C(=O)NCC2CN(CCO2)CC3=CC=C(C=C3)F)Cl)N DR1915 CAS__NUM CAS 112885-41-3 DR1915 CHEBINUM 94373 DR1915 PUBCMSID 10238548; 14856046; 29216210; 29300427; 47434920; 48254040; 49875381; 50110109; 53346072; 57339567; 85209635; 90452581; 92720568; 93374710; 93626124; 96024924; 103250420; 103923914; 104408671; 117843401; 125324809; 125338080; 126607121; 126619873; 126648433; 126666115; 129828067; 131294814; 131294815; 131813325; 134340239; 135134188; 135650625; 135683234; 136373748; 137249282; 137541651; 143504192; 144108846; 160809785; 162035093; 162181032; 163088239; 164035874; 164175206; 164814860; 166236538; 172090760; 172842270; 174006284 DR1916 DRUG__ID DR1916 DR1916 DRUGNAME BRN-2217626 DR1916 PUBCMCID 5879 DR1916 TTDRUGID D0H5HO DR1916 DFORMULA C19H30O2 DR1916 INCHIKEY QGXBDMJGAMFCBF-HLUDHZFRSA-N DR1916 DRUINCHI 1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1 DR1916 CASMILES CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O DR1916 CAS__NUM CAS 53-41-8 DR1916 CHEBINUM 16032 DR1917 DRUG__ID DR1917 DR1917 DRUGNAME U-14,583 DR1917 PUBCMCID 5280363 DR1917 TTDRUGID D00HTY DR1917 DFORMULA C20H34O5 DR1917 INCHIKEY PXGPLTODNUVGFL-YNNPMVKQSA-N DR1917 DRUINCHI 1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1 DR1917 CASMILES CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O DR1917 CAS__NUM CAS 551-11-1 DR1917 CHEBINUM 15553 DR1917 PUBCMSID 3912; 613198; 4265953; 7847149; 7980284; 8143215; 8616237; 14852168; 15398784; 26754609; 29216066; 39289529; 47588758; 47588759; 48258963; 48415906; 50026801; 50110092; 53789218; 56311306; 56313004; 56313208; 57357710; 77668180; 92308787; 92309910; 99300824; 99302342; 103214323; 103943633; 104046437; 113853160; 124892254; 124892255; 125307573; 126662422; 134340899; 134978425; 135651540; 137006907; 142063920; 144205330; 162205063; 175268163; 175607780; 176484109; 179116866; 211534905; 223673680; 226412676 DR1918 DRUG__ID DR1918 DR1918 DRUGNAME Cladribine DR1918 PUBCMCID 20279 DR1918 TTDRUGID D05GJW DR1918 DFORMULA C10H12ClN5O3 DR1918 INCHIKEY PTOAARAWEBMLNO-KVQBGUIXSA-N DR1918 DRUINCHI 1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1 DR1918 CASMILES C1C(C(OC1N2C=NC3=C(N=C(N=C32)Cl)N)CO)O DR1918 CAS__NUM CAS 4291-63-8 DR1918 CHEBINUM 567361 DR1918 PUBCMSID 610461; 855756; 866156; 7848433; 7978577; 7978957; 8165006; 14799875; 14897807; 26719669; 26757803; 29287787; 46386544; 46504588; 48415788; 49865077; 49903916; 49903918; 50104045; 50446026; 56312468; 56312469; 56312470; 56312853; 56422184; 57309572; 57330593; 71821359; 87323981; 92308638; 92713835; 99218181; 99431527; 99437023; 103602769; 104350170; 118046705; 124659094; 124757075; 124800053; 124886798; 124886799; 125163879; 126624559; 126655830; 128966217; 131314655; 134337856; 134984314; 135683425 DR1919 DRUG__ID DR1919 DR1919 DRUGNAME BRN-4179169 DR1919 PUBCMCID 72390 DR1919 TTDRUGID D0M0UT DR1919 DFORMULA C4H5NO3S DR1919 INCHIKEY BMLMGCPTLHPWPY-REOHCLBHSA-N DR1919 DRUINCHI 1S/C4H5NO3S/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m0/s1 DR1919 CASMILES C1C(NC(=O)S1)C(=O)O DR1919 CAS__NUM CAS 19771-63-2 DR1919 CHEBINUM 125673 DR1920 DRUG__ID DR1920 DR1920 DRUGNAME Amylin DR1920 PUBCMCID 16132430 DR1920 TTDRUGID D0PI8W DR1920 DFORMULA C165H261N51O55S2 DR1920 INCHIKEY PLOPBXQQPZYQFA-AXPWDRQUSA-N DR1920 DRUINCHI 1S/C165H261N51O55S2/c1-22-75(12)124(159(266)200-95(47-71(4)5)140(247)203-108(64-219)153(260)206-110(66-221)154(261)216-129(84(21)226)163(270)202-105(58-119(174)234)147(254)209-122(73(8)9)157(264)181-61-121(236)187-106(62-217)150(257)198-103(56-117(172)232)148(255)215-128(83(20)225)162(269)190-93(130(175)237)49-87-38-40-89(227)41-39-87)211-132(239)76(13)183-120(235)60-180-136(243)97(50-85-32-25-23-26-33-85)194-144(251)101(54-115(170)230)196-145(252)102(55-116(171)231)197-151(258)107(63-218)205-152(259)109(65-220)204-142(249)99(52-88-59-178-69-182-88)201-158(265)123(74(10)11)210-146(253)96(48-72(6)7)193-141(248)98(51-86-34-27-24-28-35-86)195-143(250)100(53-114(169)229)191-131(238)77(14)184-139(246)94(46-70(2)3)192-137(244)91(37-31-45-179-165(176)177)188-138(245)92(42-43-113(168)228)189-161(268)126(81(18)223)212-133(240)78(15)185-155(262)111-67-272-273-68-112(207-135(242)90(167)36-29-30-44-166)156(263)199-104(57-118(173)233)149(256)214-125(80(17)222)160(267)186-79(16)134(241)213-127(82(19)224)164(271)208-111/h23-28,32-35,38-41,59,69-84,90-112,122-129,217-227H,22,29-31,36-37,42-58,60-68,166-167H2,1-21H3,(H2,168,228)(H2,169,229)(H2,170,230)(H2,171,231)(H2,172,232)(H2,173,233)(H2,174,234)(H2,175,237)(H,178,182)(H,180,243)(H,181,264)(H,183,235)(H,184,246)(H,185,262)(H,186,267)(H,187,236)(H,188,245)(H,189,268)(H,190,269)(H,191,238)(H,192,244)(H,193,248)(H,194,251)(H,195,250)(H,196,252)(H,197,258)(H,198,257)(H,199,263)(H,200,266)(H,201,265)(H,202,270)(H,203,247)(H,204,249)(H,205,259)(H,206,260)(H,207,242)(H,208,271)(H,209,254)(H,210,253)(H,211,239)(H,212,240)(H,213,241)(H,214,256)(H,215,255)(H,216,261)(H4,176,177,179)/t75-,76-,77-,78-,79-,80+,81+,82+,83+,84+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,122-,123-,124-,125-,126-,127-,128-,129-/m0/s1 DR1920 CASMILES CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N)NC(=O)C(C)NC(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CC3=CN=CN3)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC(=O)N)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)O)NC(=O)C(C)NC(=O)C5CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N5)C(C)O)C)C(C)O)CC(=O)N)NC(=O)C(CCCCN)N DR1920 CAS__NUM CAS 106589-50-8 DR1920 PUBCMSID 14891339; 28730601; 40666036; 50064118; 57380189; 135235778; 135264040; 164779214; 226706511 DR1921 DRUG__ID DR1921 DR1921 DRUGNAME CCRIS-7234 DR1921 PUBCMCID 56841751 DR1921 TTDRUGID D08TPS DR1921 DFORMULA C257H381N73O83S7 DR1921 INCHIKEY VBEQCZHXXJYVRD-GACYYNSASA-N DR1921 DRUINCHI 1S/C257H381N73O83S7/c1-20-123(15)203(245(404)283-103-192(351)285-157(80-127-42-52-135(339)53-43-127)222(381)313-171(104-331)210(369)281-101-191(350)287-167(92-198(360)361)228(387)290-146(37-27-70-273-255(265)266)213(372)318-177(110-414)238(397)292-148(62-65-185(259)344)217(376)327-205(125(17)337)249(408)294-147(38-28-71-274-256(267)268)212(371)309-168(93-199(362)363)229(388)298-153(76-117(3)4)218(377)289-145(36-26-69-272-254(263)264)211(370)303-162(86-133-96-277-144-35-25-23-33-141(133)144)226(385)304-161(85-132-95-276-143-34-24-22-32-140(132)143)225(384)291-149(63-66-195(354)355)214(373)297-154(77-118(5)6)219(378)296-152(253(412)413)39-29-72-275-257(269)270)326-247(406)202(122(13)14)324-242(401)181(114-418)320-227(386)165(90-188(262)347)307-241(400)180(113-417)322-250(409)206(126(18)338)328-231(390)160(83-130-48-58-138(342)59-49-130)302-234(393)174(107-334)315-230(389)169(94-200(364)365)310-221(380)155(78-119(7)8)299-233(392)173(106-333)314-215(374)150(64-67-196(356)357)295-248(407)204(124(16)21-2)325-232(391)163(87-134-97-271-116-284-134)305-216(375)151(68-75-420-19)293-239(398)179(112-416)321-246(405)201(121(11)12)323-194(353)99-278-189(348)98-279-208(367)164(89-187(261)346)306-220(379)156(79-120(9)10)300-240(399)178(111-415)319-223(382)158(81-128-44-54-136(340)55-45-128)286-190(349)100-280-209(368)166(91-197(358)359)308-224(383)159(82-129-46-56-137(341)57-47-129)301-235(394)175(108-335)316-237(396)176(109-336)317-244(403)184-41-31-74-330(184)252(411)182(115-419)288-193(352)102-282-243(402)183-40-30-73-329(183)251(410)170(84-131-50-60-139(343)61-51-131)311-236(395)172(105-332)312-207(366)142(258)88-186(260)345/h22-25,32-35,42-61,95-97,116-126,142,145-184,201-206,276-277,331-343,414-419H,20-21,26-31,36-41,62-94,98-115,258H2,1-19H3,(H2,259,344)(H2,260,345)(H2,261,346)(H2,262,347)(H,271,284)(H,278,348)(H,279,367)(H,280,368)(H,281,369)(H,282,402)(H,283,404)(H,285,351)(H,286,349)(H,287,350)(H,288,352)(H,289,377)(H,290,387)(H,291,384)(H,292,397)(H,293,398)(H,294,408)(H,295,407)(H,296,378)(H,297,373)(H,298,388)(H,299,392)(H,300,399)(H,301,394)(H,302,393)(H,303,370)(H,304,385)(H,305,375)(H,306,379)(H,307,400)(H,308,383)(H,309,371)(H,310,380)(H,311,395)(H,312,366)(H,313,381)(H,314,374)(H,315,389)(H,316,396)(H,317,403)(H,318,372)(H,319,382)(H,320,386)(H,321,405)(H,322,409)(H,323,353)(H,324,401)(H,325,391)(H,326,406)(H,327,376)(H,328,390)(H,354,355)(H,356,357)(H,358,359)(H,360,361)(H,362,363)(H,364,365)(H,412,413)(H4,263,264,272)(H4,265,266,273)(H4,267,268,274)(H4,269,270,275)/t123-,124-,125+,126+,142-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,201-,202-,203-,204-,205-,206-/m0/s1 DR1921 CASMILES CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)O)C(=O)NC(CS)C(=O)NC(CC(=O)N)C(=O)NC(CS)C(=O)NC(C(C)C)C(=O)NC(C(C)CC)C(=O)NCC(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CO)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CS)C(=O)NC(CCC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CC7=CN=CN7)NC(=O)C(CCSC)NC(=O)C(CS)NC(=O)C(C(C)C)NC(=O)CNC(=O)CNC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CS)NC(=O)C(CC8=CC=C(C=C8)O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CC9=CC=C(C=C9)O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(CS)NC(=O)CNC(=O)C1CCCN1C(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CO)NC(=O)C(CC(=O)N)N DR1921 CAS__NUM CAS 62229-50-9 DR1921 PUBCMSID 135263281 DR1922 DRUG__ID DR1922 DR1922 DRUGNAME D-Serine DR1922 PUBCMCID 71077 DR1922 TTDRUGID D02UDJ DR1922 DFORMULA C3H7NO3 DR1922 INCHIKEY MTCFGRXMJLQNBG-UWTATZPHSA-N DR1922 DRUINCHI 1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1 DR1922 CASMILES C(C(C(=O)O)N)O DR1922 CAS__NUM CAS 312-84-5 DR1922 CHEBINUM 16523 DR1922 PUBCMSID 4003; 588250; 626975; 829388; 839068; 7887195; 8143525; 8194408; 14747454; 15146420; 17405644; 24278008; 26718244; 26753645;26753646; 43127470; 46392862; 46508200; 47811035; 47885661; 48110736; 49748509; 49846980; 50045910; 50096464; 50096469; 50106988; 50106989; 53778194; 56312452; 56313140; 56437651; 57318000; 80530258;85756772; 87350321; 87575662; 87636300; 90341480; 92298581; 92303181; 92717308; 99213597; 99224311; 103060962; 103204181; 103822437; 104038215; 104349603; 117518385 DR1923 DRUG__ID DR1923 DR1923 DRUGNAME Alprostadil DR1923 PUBCMCID 5280723 DR1923 TTDRUGID D0I4DQ DR1923 DFORMULA C20H34O5 DR1923 INCHIKEY GMVPRGQOIOIIMI-DWKJAMRDSA-N DR1923 DRUINCHI 1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1 DR1923 CASMILES CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)O)O DR1923 CAS__NUM CAS 745-65-3 DR1923 CHEBINUM 15544 DR1923 PUBCMSID 7312; 3139926; 4266050; 7847248; 7978676; 8143220; 8616376; 12013405; 14901054; 14901056; 24887977; 24890439; 24898661; 24898855; 24898994; 26719695; 26752225; 26752226; 39289772; 46386879; 46386882; 46387002; 47216549; 47515087; 47515088; 47810514; 47959471; 48110217; 48184750; 48415538; 49681576; 49699251; 50104916; 50104917; 53790811; 57357853; 57654538; 77812073; 85789478; 91702047; 92126041; 92308647; 92309224; 92309904; 92712130; 93166905; 99300818; 99302336; 103171219; 103914567 DR1924 DRUG__ID DR1924 DR1924 DRUGNAME SRT-647 DR1924 PUBCMCID 439924 DR1924 TTDRUGID D0SI9L DR1924 DFORMULA C11H15N2O5+ DR1924 INCHIKEY JLEBZPBDRKPWTD-TURQNECASA-O DR1924 DRUINCHI 1S/C11H14N2O5/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11/h1-4,7-9,11,14-16H,5H2,(H-,12,17)/p+1/t7-,8-,9-,11-/m1/s1 DR1924 CASMILES C1=CC(=C[N+](=C1)C2C(C(C(O2)CO)O)O)C(=O)N DR1924 CAS__NUM CAS 1341-23-7 DR1924 CHEBINUM 15927 DR1925 DRUG__ID DR1925 DR1925 DRUGNAME Estol-1581 DR1925 PUBCMCID 5541 DR1925 TTDRUGID D0Q6DX DR1925 DFORMULA C9H14O6 DR1925 INCHIKEY URAYPUMNDPQOKB-UHFFFAOYSA-N DR1925 DRUINCHI 1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3 DR1925 CASMILES CC(=O)OCC(COC(=O)C)OC(=O)C DR1925 CAS__NUM CAS 102-76-1 DR1925 CHEBINUM 9661 DR1926 DRUG__ID DR1926 DR1926 DRUGNAME Dynorphin A DR1926 PUBCMCID 16133805 DR1926 TTDRUGID D0Y8SK DR1926 DFORMULA C99H155N31O23 DR1926 INCHIKEY JMNJYGMAUMANNW-FIXZTSJVSA-N DR1926 DRUINCHI 1S/C52H84N18O11/c1-5-30(4)42(48(79)68-37(49(80)81)16-11-23-62-52(58)59)70-45(76)36(15-10-22-61-51(56)57)66-44(75)35(14-9-21-60-50(54)55)67-46(77)38(24-29(2)3)69-47(78)39(26-31-12-7-6-8-13-31)65-41(73)28-63-40(72)27-64-43(74)34(53)25-32-17-19-33(71)20-18-32/h6-8,12-13,17-20,29-30,34-39,42,71H,5,9-11,14-16,21-28,53H2,1-4H3,(H,63,72)(H,64,74)(H,65,73)(H,66,75)(H,67,77)(H,68,79)(H,69,78)(H,70,76)(H,80,81)(H4,54,55,60)(H4,56,57,61)(H4,58,59,62)/t30-,34-,35-,36-,37-,38-,39-,42-/m0/s1 DR1926 CASMILES CCC(C)C(C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CC4=CC=CC=C4)NC(=O)CNC(=O)CNC(=O)C(CC5=CC=C(C=C5)O)N DR1926 CAS__NUM CAS 80448-90-4 DR1926 PUBCMSID 7979142; 15016334; 24894194; 28730830; 40667300; 50112440; 57380230; 91703941; 103241413; 134345712; 162228044; 241159665; 241376302; 252157083 DR1927 DRUG__ID DR1927 DR1927 DRUGNAME SQ-32709 DR1927 PUBCMCID 445713 DR1927 TTDRUGID D0N5HO DR1927 DFORMULA C15H28O7P2 DR1927 INCHIKEY VWFJDQUYCIWHTN-YFVJMOTDSA-N DR1927 DRUINCHI 1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+ DR1927 CASMILES CC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C DR1927 CAS__NUM CAS 372-97-4 DR1927 CHEBINUM 17407 DR1928 DRUG__ID DR1928 DR1928 DRUGNAME NSC-6292 DR1928 PUBCMCID 6 DR1928 TTDRUGID D0QG8F DR1928 DFORMULA C6H3ClN2O4 DR1928 INCHIKEY VYZAHLCBVHPDDF-UHFFFAOYSA-N DR1928 DRUINCHI 1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H DR1928 CASMILES C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl DR1928 CAS__NUM CAS 97-00-7 DR1928 CHEBINUM 34718 DR1928 PUBCMSID 1917; 72281; 598708; 3136115; 5254507; 7675940; 8150407; 10538855; 12075450; 15220052; 17395397; 22389130; 24848362; 24854237; 26757478; 36535158; 48413412; 48417000; 49856122; 50183835; 51073324; 53787752; 57260144; 57264331; 57319883; 58023885; 85084731; 85084732; 85172477; 85240164; 87565336; 88800368; 93166146; 103110650;103249990; 104293572; 104667369; 117377587; 117558395; 118053788; 124800650; 124892793; 124892794; 125324001; 125360418; 126653061; 126678588; 128846853; 129547292; 131053624 DR1929 DRUG__ID DR1929 DR1929 DRUGNAME Gonadorelin DR1929 PUBCMCID 36523 DR1929 TTDRUGID D04ODH DR1929 DFORMULA C55H75N17O13 DR1929 INCHIKEY XLXSAKCOAKORKW-UHFFFAOYSA-N DR1929 DRUINCHI 1S/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60) DR1929 CASMILES CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6 DR1929 CAS__NUM CAS 6918-09-8 DR1929 PUBCMSID 9809; 7785167; 34677956; 46506144; 50064694; 53790166; 75265165; 81041135; 85087283; 85209412; 104324240; 124893762; 125348251; 126665095; 131310917; 134221846; 134338313; 135337520; 137240520; 160963989; 162103133; 164811885; 179225788; 179322364; 184545745; 223679662; 242519605; 250134993 DR1930 DRUG__ID DR1930 DR1930 DRUGNAME FT-0661285 DR1930 PUBCMCID 439174 DR1930 TTDRUGID D05ZYM DR1930 DFORMULA C8H15NO6 DR1930 INCHIKEY OVRNDRQMDRJTHS-RTRLPJTCSA-N DR1930 DRUINCHI 1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8?/m1/s1 DR1930 CASMILES CC(=O)NC1C(C(C(OC1O)CO)O)O DR1930 CAS__NUM CAS 7512-17-6 DR1930 CHEBINUM 17411 DR1930 PUBCMSID 3440; 3140764; 10298230; 11533139; 14749116; 14773579; 24890642; 26701755; 34746915; 36883433; 49754856; 53790128; 56320705; 56322637; 56475046; 57402888; 78904968; 81059563; 81059603; 81060201; 81060576; 81061195; 81063201; 81063230; 81064621; 83120340; 85695113; 87561789; 96100315; 103910763; 104619820; 124799573; 128868544; 134338149; 135373470; 136161975; 139264390; 139272492; 144204897; 152054145; 152187909; 160677138; 160963490; 162025026; 162226631; 163072598; 163814101; 164187219; 175442678; 180101034 DR1932 DRUG__ID DR1932 DR1932 DRUGNAME Fructose DR1932 PUBCMCID 5984 DR1932 TTDRUGID D06HZY DR1932 DFORMULA C6H12O6 DR1932 INCHIKEY BJHIKXHVCXFQLS-UYFOZJQFSA-N DR1932 DRUINCHI 1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1 DR1932 CASMILES C(C(C(C(C(=O)CO)O)O)O)O DR1932 CAS__NUM CAS 57-48-7 DR1932 CHEBINUM 48095 DR1932 PUBCMSID 13089; 7847182; 8153720; 14716675; 15339912; 16877774; 29204153; 29225000; 46491008; 46530493; 49970811; 57323096; 68530625; 75359324; 92298678; 103822107; 104225898; 104310785; 117559373; 117613538; 123120957; 124759816; 127301939; 127301940; 127301941; 127301942; 127301943; 127301944; 127301945; 127301946; 127301947; 127301948; 127301949; 127301950; 127301951; 127301952; 127301953; 127301954; 127301955; 127301956; 127301957; 127301958; 127301959; 127301960; 127301961; 127301962; 127301963; 127301964; 127301965; 127301966 DR1933 DRUG__ID DR1933 DR1933 DRUGNAME Sorbitol DR1933 PUBCMCID 5780 DR1933 TTDRUGID D09MXS DR1933 DFORMULA C6H14O6 DR1933 INCHIKEY FBPFZTCFMRRESA-JGWLITMVSA-N DR1933 DRUINCHI 1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1 DR1933 CASMILES C(C(C(C(C(CO)O)O)O)O)O DR1933 CAS__NUM CAS 50-70-4 DR1933 CHEBINUM 17924 DR1934 DRUG__ID DR1934 DR1934 DRUGNAME Azilsartan medoxomil DR1934 PUBCMCID 135409642 DR1934 TTDRUGID D02CDS DR1934 DFORMULA C30H24N4O8 DR1934 INCHIKEY QJFSABGVXDWMIW-UHFFFAOYSA-N DR1934 DRUINCHI 1S/C30H24N4O8/c1-3-38-28-31-23-10-6-9-22(27(35)39-16-24-17(2)40-30(37)41-24)25(23)34(28)15-18-11-13-19(14-12-18)20-7-4-5-8-21(20)26-32-29(36)42-33-26/h4-14H,3,15-16H2,1-2H3,(H,32,33,36) DR1934 CASMILES CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)OCC6=C(OC(=O)O6)C DR1934 CAS__NUM CAS 863031-21-4 DR1934 CHEBINUM 68845 DR1935 DRUG__ID DR1935 DR1935 DRUGNAME Vitamin B6 DR1935 PUBCMCID 6019 DR1935 TTDRUGID D07MUN DR1935 DFORMULA C8H12ClNO3 DR1935 INCHIKEY ZUFQODAHGAHPFQ-UHFFFAOYSA-N DR1935 DRUINCHI 1S/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H DR1935 CASMILES CC1=NC=C(C(=C1O)CO)CO.Cl DR1935 CAS__NUM CAS 65-23-6 DR1935 CHEBINUM 16709 DR1935 PUBCMSID 544865; 3135294; 3309045; 7849240; 8147907; 8153748; 10321864; 10528331; 11528395; 15220115; 24871530; 24898493; 24898752; 24898966; 24899059; 25621328; 26757736; 29225033; 48422908; 50125690; 51085174; 56463103; 57323120; 79043646; 85089058; 85089059; 85089060; 87574736; 89180788; 92125552; 92711312; 103770739; 103825833; 103914344; 104310887; 117452109; 124509161; 125353713; 126630993; 126657431; 127336464; 127336465; 134971801; 137018621; 144212793; 152031098; 152159667; 162090646; 162173197; 169158029 DR1936 DRUG__ID DR1936 DR1936 DRUGNAME GTPL-989 DR1936 PUBCMCID 16212950 DR1936 TTDRUGID D05OEO DR1936 DFORMULA C109H159N25O32S5 DR1936 INCHIKEY ZUBDGKVDJUIMQQ-ZTNLKOGPSA-N DR1936 DRUINCHI 1S/C109H163N25O32S/c1-16-56(9)86(113)104(159)134-88(57(10)17-2)106(161)129-78(43-64-47-115-69-28-22-21-27-67(64)69)108(163)166-109(164)79(46-84(141)142)128-97(152)72(39-53(3)4)124-99(154)75(44-65-48-114-52-116-65)122-90(145)59(12)118-96(151)73(41-62-25-19-18-20-26-62)125-98(153)74(42-63-30-32-66(138)33-31-63)126-105(160)87(55(7)8)133-92(147)61(14)117-94(149)71(121-95(150)70(29-23-24-37-110)120-100(155)76(45-83(139)140)123-93(148)68(112)36-38-167-15)34-35-85(143)165-107(162)77(40-54(5)6)127-102(157)82(51-137)132-103(158)81(50-136)131-91(146)60(13)119-101(156)80(49-135)130-89(144)58(11)111/h18-22,25-28,30-33,47-48,52-61,65,68,70-82,86-88,115,135-138H,16-17,23-24,29,34-46,49-51,110-113H2,1-15H3,(H,117,149)(H,118,151)(H,119,156)(H,120,155)(H,121,150)(H,122,145)(H,123,148)(H,124,154)(H,125,153)(H,126,160)(H,127,157)(H,128,152)(H,129,161)(H,130,144)(H,131,146)(H,132,158)(H,133,147)(H,134,159)(H,139,140)(H,141,142)/t56-,57-,58-,59-,60-,61-,65?,68-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,86-,87-,88-/m0/s1 DR1936 CASMILES CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC3=CN=CN3)NC(=O)C4CSSCC(C(=O)NC(C(=O)NC5CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N4)CC6=CC=CC=C6)CC7=CC=C(C=C7)O)C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC5=O)CO)CO)CC(C)C)CCSC)CC(=O)O)CCCCN)CCC(=O)O)CO)N DR1936 CAS__NUM CAS 123626-67-5 DR1937 DRUG__ID DR1937 DR1937 DRUGNAME ACMC-1AKLT DR1937 PUBCMCID 5375667 DR1937 DFORMULA C10H5F3O3 DR1937 INCHIKEY CCKWMCUOHJAVOL-UHFFFAOYSA-N DR1937 DRUINCHI 1S/C10H5F3O3/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4,14H DR1937 CASMILES C1=CC2=C(C=C1O)OC(=O)C=C2C(F)(F)F DR1937 CAS__NUM CAS 575-03-1 DR1938 DRUG__ID DR1938 DR1938 DRUGNAME Anthraflavic acid DR1938 PUBCMCID 6776 DR1938 DFORMULA C14H8O4 DR1938 INCHIKEY APAJFZPFBHMFQR-UHFFFAOYSA-N DR1938 DRUINCHI 1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H DR1938 CASMILES C1=CC2=C(C=C1O)C(=O)C3=C(C2=O)C=C(C=C3)O DR1938 CAS__NUM CAS 84-60-6 DR1938 CHEBINUM 34250 DR1939 DRUG__ID DR1939 DR1939 DRUGNAME Chrysin DR1939 PUBCMCID 5281607 DR1939 TTDRUGID D01UYI DR1939 DFORMULA C15H10O4 DR1939 INCHIKEY RTIXKCRFFJGDFG-UHFFFAOYSA-N DR1939 DRUINCHI 1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H DR1939 CASMILES C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O DR1939 CAS__NUM CAS 480-40-0 DR1939 CHEBINUM 75095 DR1940 DRUG__ID DR1940 DR1940 DRUGNAME Cis-4-hydroxytamoxifen DR1940 PUBCMCID 5352135 DR1940 DFORMULA C26H29NO2 DR1940 INCHIKEY TXUZVZSFRXZGTL-OCEACIFDSA-N DR1940 DRUINCHI 1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25+ DR1940 CASMILES CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3 DR1940 CAS__NUM CAS 174592-47-3 DR1940 CHEBINUM 92076 DR1941 DRUG__ID DR1941 DR1941 DRUGNAME Curcumin DR1941 PUBCMCID 969516 DR1941 TTDRUGID D07SDQ DR1941 DFORMULA C21H20O6 DR1941 INCHIKEY VFLDPWHFBUODDF-FCXRPNKRSA-N DR1941 DRUINCHI 1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+ DR1941 CASMILES COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O DR1941 CAS__NUM CAS 458-37-7 DR1941 CHEBINUM 3962 DR1941 PUBCMSID 91276; 521754; 616319; 806710; 855880; 3139269; 7979963; 8136975; 8145866; 8719722; 10319004; 12013839; 12055808; 14803853; 17389087;24892408; 24892983; 29203996; 44256039; 46493764; 48184781; 48414613; 48414614; 48423182; 48424998; 49854349; 49856278; 50104137; 50104138; 53788771; 56312449; 56313017; 56422380; 57288615; 57408903;75735540; 81040856; 81054961; 81093229; 85286188; 85789755; 87565556; 87565557; 88806667; 92126156; 92709887; 93165931; 103961572; 104171337; 105852703 DR1942 DRUG__ID DR1942 DR1942 DRUGNAME Eugenol DR1942 PUBCMCID 3314 DR1942 TTDRUGID D0O4QB DR1942 DFORMULA C10H12O2 DR1942 INCHIKEY RRAFCDWBNXTKKO-UHFFFAOYSA-N DR1942 DRUINCHI 1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3 DR1942 CASMILES COC1=C(C=CC(=C1)CC=C)O DR1942 CAS__NUM CAS 97-53-0 DR1942 CHEBINUM 4917 DR1942 PUBCMSID 12636; 74509; 125977; 588506; 597975; 866329; 3133265; 5268443; 8139909; 8146418; 8149344; 8152109; 10538901; 11335867;11361106; 11371571; 11375463; 11462078; 11484964; 11489080; 11490462; 11493597; 11528359; 11537592; 15321782; 17389879; 24862128; 24869788; 24894609; 24901114; 24901115; 26611744; 26679332; 26747361;26747362; 26753011; 29204126; 37904874; 47206065; 47365196; 47515328; 47959753; 48413772; 48421969; 48423424; 48425142; 50105594; 50105595; 50800114; 53787078 DR1943 DRUG__ID DR1943 DR1943 DRUGNAME Phloretin DR1943 PUBCMCID 4788 DR1943 TTDRUGID D0HD2G DR1943 DFORMULA C15H14O5 DR1943 INCHIKEY VGEREEWJJVICBM-UHFFFAOYSA-N DR1943 DRUINCHI 1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2 DR1943 CASMILES C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O DR1943 CAS__NUM CAS 60-82-2 DR1943 CHEBINUM 17276 DR1943 PUBCMSID 4036; 477076; 841166; 885022; 3152290; 6900044; 7979953; 8141738; 8144209; 8152940; 11111666; 11111667; 11341604; 11361787; 11364189; 11366751; 11369313; 11372170; 11374941; 11377475; 11484537; 11487189; 11488497; 11490851; 11492986; 11495109; 11537656; 14750659; 17405570; 22425581; 24278652; 24771297; 24887442; 26613299; 26679936; 26725279; 26747651; 26753632; 26759355; 29204475; 29223872; 46500461; 47440053; 47736274; 47736275; 47885227; 47959549; 48334288; 48421899; 49760075 DR1944 DRUG__ID DR1944 DR1944 DRUGNAME ICI-79,280 DR1944 PUBCMCID 449459 DR1944 TTDRUGID D09NST DR1944 DFORMULA C26H29NO2 DR1944 INCHIKEY TXUZVZSFRXZGTL-QPLCGJKRSA-N DR1944 DRUINCHI 1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25- DR1944 CASMILES CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3 DR1944 CAS__NUM CAS 68047-06-3 DR1944 CHEBINUM 44616 DR1944 PUBCMSID 7494; 835333; 7889566; 10300358; 11532960; 14719814; 14719815; 14805025; 24895736; 24895814; 24899989; 26757818; 26759601;36891034; 46393897; 47208207; 48243335; 49688682; 49846252; 50005439; 50065066; 53788270; 53789854; 56422185; 57404921; 57570889; 57654657; 77095723; 85788533; 87219226; 91613892; 93165645; 93167122;103169566; 104640983; 124799764; 124893066; 126639485; 126671492; 126685161; 134341205; 135021191; 135065359; 135610264; 137156415; 142089319; 144208141; 162226886; 163414603; 163687254 DR1945 DRUG__ID DR1945 DR1945 DRUGNAME Fenthion DR1945 PUBCMCID 3346 DR1945 DFORMULA C10H15O3PS2 DR1945 INCHIKEY PNVJTZOFSHSLTO-UHFFFAOYSA-N DR1945 DRUINCHI 1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3 DR1945 CASMILES CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC DR1945 CAS__NUM CAS 55-38-9 DR1945 CHEBINUM 34761 DR1946 DRUG__ID DR1946 DR1946 DRUGNAME Fenthion sulfoxide DR1946 PUBCMCID 19577 DR1946 DFORMULA C10H15O4PS2 DR1946 INCHIKEY DLAPIMGBBDILHJ-UHFFFAOYSA-N DR1946 DRUINCHI 1S/C10H15O4PS2/c1-8-7-9(5-6-10(8)17(4)11)14-15(16,12-2)13-3/h5-7H,1-4H3 DR1946 CASMILES CC1=C(C=CC(=C1)OP(=S)(OC)OC)S(=O)C DR1946 CAS__NUM CAS 3761-41-9 DR1947 DRUG__ID DR1947 DR1947 DRUGNAME Triiodo-l-thyronine DR1947 PUBCMCID 644280 DR1947 DFORMULA C15H12I3NO4 DR1947 INCHIKEY HZCBWYNLGPIQRK-LBPRGKRZSA-N DR1947 DRUINCHI 1S/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)/t12-/m0/s1 DR1947 CASMILES C1=CC(=C(C=C1CC(C(=O)O)N)I)OC2=CC(=C(C(=C2)I)O)I DR1947 CAS__NUM CAS 5817-39-0 DR1947 CHEBINUM 11684 DR1949 DRUG__ID DR1949 DR1949 DRUGNAME Diiodo-l-thyronine DR1949 PUBCMCID 107564 DR1949 DFORMULA C15H13I2NO4 DR1949 INCHIKEY CPCJBZABTUOGNM-LBPRGKRZSA-N DR1949 DRUINCHI 1S/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)/t12-/m0/s1 DR1949 CASMILES C1=CC(=C(C=C1CC(C(=O)O)N)I)OC2=CC(=C(C=C2)O)I DR1949 CAS__NUM CAS 4604-41-5 DR1949 CHEBINUM 45698 DR1950 DRUG__ID DR1950 DR1950 DRUGNAME L-thyroxine DR1950 PUBCMCID 5819 DR1950 DFORMULA C15H11I4NO4 DR1950 INCHIKEY XUIIKFGFIJCVMT-LBPRGKRZSA-N DR1950 DRUINCHI 1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1 DR1950 CASMILES C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N DR1950 CAS__NUM CAS 51-48-9 DR1950 CHEBINUM 18332 DR1955 DRUG__ID DR1955 DR1955 DRUGNAME Tetrahydroaldosterone DR1955 PUBCMCID 122135 DR1955 DFORMULA C21H32O5 DR1955 INCHIKEY JDEYOKPHRJVBQO-FPXQBPFJSA-N DR1955 DRUINCHI 1S/C21H32O5/c1-20-7-6-12(23)8-11(20)2-3-13-14-4-5-15(16(24)10-22)21(14)9-17(18(13)20)26-19(21)25/h11-15,17-19,22-23,25H,2-10H2,1H3/t11-,12-,13+,14+,15-,17+,18-,19?,20+,21-/m1/s1 DR1955 CASMILES CC12CCC(CC1CCC3C2C4CC5(C3CCC5C(=O)CO)C(O4)O)O DR1955 CAS__NUM 13489-75-3 DR1957 DRUG__ID DR1957 DR1957 DRUGNAME Alpha-dihydroaldosterone DR1957 PUBCMCID 3036614 DR1957 DFORMULA C21H30O5 DR1957 INCHIKEY WCYSTKTYJRHHAV-RXKCSFKASA-N DR1957 DRUINCHI 1S/C21H30O5/c1-20-7-6-12(23)8-11(20)2-3-13-14-4-5-15(16(24)10-22)21(14)9-17(18(13)20)26-19(21)25/h11,13-15,17-19,22,25H,2-10H2,1H3/t11-,13+,14+,15-,17-,18-,19?,20+,21?/m1/s1 DR1957 CASMILES CC12CCC(=O)CC1CCC3C2C4CC5(C3CCC5C(=O)CO)C(O4)O DR1957 CAS__NUM CAS 6005-92-1 DR1959 DRUG__ID DR1959 DR1959 DRUGNAME Benzylamine DR1959 PUBCMCID 7504 DR1959 DFORMULA C7H9N DR1959 INCHIKEY WGQKYBSKWIADBV-UHFFFAOYSA-N DR1959 DRUINCHI 1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2 DR1959 CASMILES C1=CC=C(C=C1)CN DR1959 CAS__NUM CAS 100-46-9 DR1959 CHEBINUM 40538 DR1960 DRUG__ID DR1960 DR1960 DRUGNAME Phenylethylamine DR1960 PUBCMCID 1001 DR1960 TTDRUGID D0Q6PI DR1960 DFORMULA C8H11N DR1960 INCHIKEY BHHGXPLMPWCGHP-UHFFFAOYSA-N DR1960 DRUINCHI 1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2 DR1960 CASMILES C1=CC=C(C=C1)CCN DR1960 CAS__NUM CAS 64-04-0 DR1960 CHEBINUM 18397 DR1960 PUBCMSID 7711; 75923; 608001; 833519; 833521; 839990; 3135776; 5482019; 8144848; 8150920; 10509252; 10531461; 14747570; 24847881; 24854450; 24865438; 24865867; 24887854; 24887855; 24901561; 26756723; 30280509; 32040725; 33286030; 36523320; 46393246; 46393335; 46393337; 47193684; 49661414; 49718670; 49856894; 57320659; 57652878; 57652879; 75745031; 80953779; 85165171; 87574348; 88519487; 92298625; 92729694; 103185023; 103812726; 104296483; 104667507; 117531353; 117531423; 118307932; 124811907 DR1961 DRUG__ID DR1961 DR1961 DRUGNAME Serotonin DR1961 PUBCMCID 5202 DR1961 TTDRUGID D0F6CD DR1961 DFORMULA C10H12N2O DR1961 INCHIKEY QZAYGJVTTNCVMB-UHFFFAOYSA-N DR1961 DRUINCHI 1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 DR1961 CASMILES C1=CC2=C(C=C1O)C(=CN2)CCN DR1961 CAS__NUM CAS 50-67-9 DR1961 CHEBINUM 28790 DR1961 PUBCMSID 4041; 803912; 3249485; 6492753; 7978601; 8144285; 8153195; 11111288; 11111289; 11120330; 11120818; 11121306; 11121741; 11122221; 11362866; 11364882; 11365428; 11367444; 11367990; 11370006; 11370943; 11370944; 11373045; 11373591; 11375606; 11376152; 11378175; 11466509; 11467629; 11485998; 15120541; 26737386; 26754231; 26754232; 26754233; 29224259; 47662064; 47662065; 47662066; 47662067; 47662068; 47810539; 47810540; 47885201; 47885202; 47885203; 47959524; 48110239; 48259014; 48334252 DR1964 DRUG__ID DR1964 DR1964 DRUGNAME Hydroxybenzo[a]pyrene DR1964 PUBCMCID 25891 DR1964 DFORMULA C20H12O DR1964 INCHIKEY GPIRWWPRDKGKPS-UHFFFAOYSA-N DR1964 DRUINCHI 1S/C20H12O/c21-18-10-7-12-5-6-14-11-13-3-1-2-4-15(13)16-8-9-17(18)19(12)20(14)16/h1-11,21H DR1964 CASMILES C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=C(C=C5)O)C=C3 DR1964 CAS__NUM CAS 13345-23-8 DR1965 DRUG__ID DR1965 DR1965 DRUGNAME Hydroxybenzo(a)pyrene DR1965 PUBCMCID 25890 DR1965 DFORMULA C20H12O DR1965 INCHIKEY SPUUWWRWIAEPDB-UHFFFAOYSA-N DR1965 DRUINCHI 1S/C20H12O/c21-18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11,21H DR1965 CASMILES C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C(C=CC(=C54)C=C3)O DR1965 CAS__NUM CAS 13345-21-6 DR1965 CHEBINUM 34337 DR1966 DRUG__ID DR1966 DR1966 DRUGNAME BRN-1980310 DR1966 PUBCMCID 28598 DR1966 DFORMULA C20H12O DR1966 INCHIKEY OBBBXCAFTKLFGZ-UHFFFAOYSA-N DR1966 DRUINCHI 1S/C20H12O/c21-16-8-6-14-10-15-5-4-12-2-1-3-13-7-9-17(18(14)11-16)20(15)19(12)13/h1-11,21H DR1966 CASMILES C1=CC2=C3C(=C1)C=CC4=C5C=C(C=CC5=CC(=C43)C=C2)O DR1966 CAS__NUM CAS 17573-21-6 DR1966 CHEBINUM 34512 DR1967 DRUG__ID DR1967 DR1967 DRUGNAME Asacolitin DR1967 PUBCMCID 4075 DR1967 DFORMULA C7H7NO3 DR1967 INCHIKEY KBOPZPXVLCULAV-UHFFFAOYSA-N DR1967 DRUINCHI 1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11) DR1967 CASMILES C1=CC(=C(C=C1N)C(=O)O)O DR1967 CAS__NUM CAS 89-57-6 DR1967 CHEBINUM 6775 DR1969 DRUG__ID DR1969 DR1969 DRUGNAME Mononitrophenol DR1969 PUBCMCID 980 DR1969 DFORMULA C6H5NO3 DR1969 INCHIKEY BTJIUGUIPKRLHP-UHFFFAOYSA-N DR1969 DRUINCHI 1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H DR1969 CASMILES C1=CC(=CC=C1[N+](=O)[O-])O DR1969 CAS__NUM CAS 100-02-7 DR1969 CHEBINUM 16836 DR1970 DRUG__ID DR1970 DR1970 DRUGNAME Denopamine DR1970 PUBCMCID 5311064 DR1970 TTDRUGID D0Q9ON DR1970 DFORMULA C18H23NO4 DR1970 INCHIKEY VHSBBVZJABQOSG-INIZCTEOSA-N DR1970 DRUINCHI 1S/C18H23NO4/c1-22-17-8-3-13(11-18(17)23-2)9-10-19-12-16(21)14-4-6-15(20)7-5-14/h3-8,11,16,19-21H,9-10,12H2,1-2H3/t16-/m0/s1 DR1970 CASMILES COC1=C(C=C(C=C1)CCNCC(C2=CC=C(C=C2)O)O)OC DR1970 CAS__NUM CAS 71771-90-9 DR1970 CHEBINUM 135359 DR1970 PUBCMSID 7979038; 11056246; 11111097; 12012784; 15988323; 17396784; 24262988; 24278687; 39340792; 50652372; 57359342; 103604705; 104105652; 114155184; 129476746; 135650167; 144204824; 144225998; 162178834; 162247274; 164814601; 179151013; 198936797; 226572136; 241130735; 252359264 DR1971 DRUG__ID DR1971 DR1971 DRUGNAME ACMC-209cv7 DR1971 PUBCMCID 26731 DR1971 DFORMULA C12H9NO DR1971 INCHIKEY SKFLCXNDKRUHTA-UHFFFAOYSA-N DR1971 DRUINCHI 1S/C12H9NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-9H DR1971 CASMILES C1=CC=C(C=C1)C(=O)C2=CC=NC=C2 DR1971 CAS__NUM CAS 14548-46-0 DR1972 DRUG__ID DR1972 DR1972 DRUGNAME Isatin DR1972 PUBCMCID 7054 DR1972 TTDRUGID D0SP2O DR1972 DFORMULA C8H5NO2 DR1972 INCHIKEY JXDYKVIHCLTXOP-UHFFFAOYSA-N DR1972 DRUINCHI 1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11) DR1972 CASMILES C1=CC=C2C(=C1)C(=O)C(=O)N2 DR1972 CAS__NUM CAS 91-56-5 DR1972 CHEBINUM 27539 DR1974 DRUG__ID DR1974 DR1974 DRUGNAME A-estradiol DR1974 PUBCMCID 247304 DR1974 TTDRUGID D00PZE DR1974 DFORMULA C18H24O3 DR1974 INCHIKEY DILDHNKDVHLEQB-XSSYPUMDSA-N DR1974 DRUINCHI 1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1 DR1974 CASMILES CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)O)O DR1974 CAS__NUM CAS 362-05-0 DR1974 CHEBINUM 28744 DR1975 DRUG__ID DR1975 DR1975 DRUGNAME Hydroxyestrone DR1975 PUBCMCID 440623 DR1975 DFORMULA C18H22O3 DR1975 INCHIKEY SWINWPBPEKHUOD-JPVZDGGYSA-N DR1975 DRUINCHI 1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1 DR1975 CASMILES CC12CCC3C(C1CCC2=O)CCC4=CC(=C(C=C34)O)O DR1975 CAS__NUM CAS 362-06-1 DR1975 CHEBINUM 1156 DR1976 DRUG__ID DR1976 DR1976 DRUGNAME Hydroxyestradiol DR1976 PUBCMCID 5282360 DR1976 DFORMULA C18H24O3 DR1976 INCHIKEY QOZFCKXEVSGWGS-ZHIYBZGJSA-N DR1976 DRUINCHI 1S/C18H24O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,19-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1 DR1976 CASMILES CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4O)O DR1976 CAS__NUM CAS 5976-61-4 DR1976 CHEBINUM 62845 DR1977 DRUG__ID DR1977 DR1977 DRUGNAME BRN-1999480 DR1977 PUBCMCID 9971251 DR1977 DFORMULA C18H22O3 DR1977 INCHIKEY XQZVQQZZOVBNLU-QDTBLXIISA-N DR1977 DRUINCHI 1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1 DR1977 CASMILES CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4O)O DR1977 CAS__NUM CAS 3131-23-5 DR1977 CHEBINUM 87602 DR1978 DRUG__ID DR1978 DR1978 DRUGNAME Hydroxytryptophol DR1978 PUBCMCID 9061 DR1978 DFORMULA C10H11NO2 DR1978 INCHIKEY KQROHCSYOGBQGJ-UHFFFAOYSA-N DR1978 DRUINCHI 1S/C10H11NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,5-6,11-13H,3-4H2 DR1978 CASMILES C1=CC2=C(C=C1O)C(=CN2)CCO DR1978 CAS__NUM CAS 154-02-9 DR1978 CHEBINUM 89825 DR1980 DRUG__ID DR1980 DR1980 DRUGNAME Bilirubin DR1980 PUBCMCID 5280352 DR1980 TTDRUGID D0O8ZV DR1980 DFORMULA C33H36N4O6 DR1980 INCHIKEY BPYKTIZUTYGOLE-IFADSCNNSA-N DR1980 DRUINCHI 1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14- DR1980 CASMILES CC1=C(NC(=C1CCC(=O)O)CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)C=C4C(=C(C(=O)N4)C=C)C DR1980 CAS__NUM CAS 635-65-4 DR1980 CHEBINUM 16990 DR1980 PUBCMSID 3769; 8144728; 8616233; 10319019; 11537670; 14935827; 24848604; 24891751; 25630735; 26612105; 26681048; 26749657; 39289522; 47348442; 47868681; 47942824; 49746883; 49834296; 49893925; 50096481; 50096483; 53789017; 57357704; 57647150; 80330271; 85245571; 85248032; 85248034; 87563495; 88266590; 92718032; 99455424; 99455426; 103619919; 111677770; 113853139; 117636345; 124636399; 126522981; 126628628; 127269546; 127269547; 127269548; 127269549; 134977906; 135252701; 135253133; 137144061; 138836811; 144072300 DR1981 DRUG__ID DR1981 DR1981 DRUGNAME Hyodeoxycholic acid DR1981 PUBCMCID 5283820 DR1981 DFORMULA C24H40O4 DR1981 INCHIKEY DGABKXLVXPYZII-SIBKNCMHSA-N DR1981 DRUINCHI 1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1 DR1981 CASMILES CC(CCC(=O)O)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C DR1981 CAS__NUM CAS 83-49-8 DR1981 CHEBINUM 52023 DR1983 DRUG__ID DR1983 DR1983 DRUGNAME Tetramethylbutylphenol DR1983 PUBCMCID 8814 DR1983 DFORMULA C14H22O DR1983 INCHIKEY ISAVYTVYFVQUDY-UHFFFAOYSA-N DR1983 DRUINCHI 1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3 DR1983 CASMILES CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O DR1983 CAS__NUM CAS 140-66-9 DR1983 CHEBINUM 34445 DR1984 DRUG__ID DR1984 DR1984 DRUGNAME Biphenol A DR1984 PUBCMCID 6623 DR1984 TTDRUGID D02RQP DR1984 DFORMULA C15H16O2 DR1984 INCHIKEY IISBACLAFKSPIT-UHFFFAOYSA-N DR1984 DRUINCHI 1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3 DR1984 CASMILES CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O DR1984 CAS__NUM CAS 80-05-7 DR1984 CHEBINUM 33216 DR1984 PUBCMSID 68531; 81140; 586242; 893061; 3135927; 4950518; 7978799; 8154266; 10536202; 11533254; 14709383; 15220620; 16962392;17389142; 17390010; 22389361; 24848090; 24848951; 24850948; 24850949; 24850952; 24854386; 24867221; 24867222; 25622888; 26736246; 26752849; 29225577; 32017005; 47365493; 48413311; 48416888; 48421347;48421869; 48422978; 48424894; 48424895; 48425781; 48426108; 49718108; 49855899; 50105488; 50436459; 53786774; 56310669; 56311407; 56311428; 56311468; 56312131; 56312424 DR1985 DRUG__ID DR1985 DR1985 DRUGNAME N-nonylphenol DR1985 PUBCMCID 1752 DR1985 DFORMULA C15H24O DR1985 INCHIKEY IGFHQQFPSIBGKE-UHFFFAOYSA-N DR1985 DRUINCHI 1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3 DR1985 CASMILES CCCCCCCCCC1=CC=C(C=C1)O DR1985 CAS__NUM CAS 104-40-5 DR1985 CHEBINUM 34440 DR1986 DRUG__ID DR1986 DR1986 DRUGNAME Daidzein DR1986 PUBCMCID 5281708 DR1986 TTDRUGID D0SY2M DR1986 DFORMULA C15H10O4 DR1986 INCHIKEY ZQSIJRDFPHDXIC-UHFFFAOYSA-N DR1986 DRUINCHI 1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H DR1986 CASMILES C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O DR1986 CAS__NUM CAS 486-66-8 DR1986 PUBCMSID 12394; 623493; 5142892; 8144381; 8149155; 8616734; 11111095; 11114077; 11336198; 11361437; 11363149; 11365711; 11368273; 11371341; 11375568; 11376435; 11462409; 11483941; 11487869; 11490007; 11493778; 11494069; 11537432; 14720388; 14847806; 17389519; 17404975; 22391461; 24278030; 25622055; 26527426; 26613045; 26679806; 26747166; 26747167; 26752188; 26752189; 26758540; 29204010; 39315324; 46487931; 46500432; 47213225; 47216588; 47290947; 47440044; 47440045; 47440046; 47515129; 47959544 DR1988 DRUG__ID DR1988 DR1988 DRUGNAME Alpha-linolenic acid DR1988 PUBCMCID 5280934 DR1988 TTDRUGID D0C5SV DR1988 DFORMULA C18H30O2 DR1988 INCHIKEY DTOSIQBPPRVQHS-PDBXOOCHSA-N DR1988 DRUINCHI 1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9- DR1988 CASMILES CCC=CCC=CCC=CCCCCCCCC(=O)O DR1988 CAS__NUM CAS 463-40-1 DR1988 CHEBINUM 27432 DR1988 PUBCMSID 8662; 68740; 819802; 841483; 3139635; 7850017; 7888669; 8144514; 8616449; 10523461; 14750830; 17388945; 24882198; 24882199; 24896311; 26752891; 26752892; 29204335; 29215108; 39289903; 46507620; 47216552; 47588760; 48423612; 48425247; 48496160; 50105513; 50105514; 53787037; 57260459; 57260460; 57299395; 57357935; 57651877; 80135193; 85209429; 85272559; 85787693; 87572018; 92298206; 92309792; 99300706; 99302224; 103167706; 104046526; 104098240; 113854245; 124573768; 124800395; 124890383 DR1989 DRUG__ID DR1989 DR1989 DRUGNAME Eicosadienoic acid DR1989 PUBCMCID 6439848 DR1989 DFORMULA C20H36O2 DR1989 INCHIKEY XSXIVVZCUAHUJO-HZJYTTRNSA-N DR1989 DRUINCHI 1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22)/b7-6-,10-9- DR1989 CASMILES CCCCCC=CCC=CCCCCCCCCCC(=O)O DR1989 CAS__NUM CAS 5598-38-9 DR1989 CHEBINUM 73731 DR1991 DRUG__ID DR1991 DR1991 DRUGNAME Icosapentum DR1991 PUBCMCID 446284 DR1991 DFORMULA C20H30O2 DR1991 INCHIKEY JAZBEHYOTPTENJ-JLNKQSITSA-N DR1991 DRUINCHI 1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15- DR1991 CASMILES CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O DR1991 CAS__NUM CAS 10417-94-4 DR1991 CHEBINUM 28364 DR1993 DRUG__ID DR1993 DR1993 DRUGNAME BML3-C01 DR1993 PUBCMCID 5497181 DR1993 DFORMULA C22H36O2 DR1993 INCHIKEY TWSWSIQAPQLDBP-DOFZRALJSA-N DR1993 DRUINCHI 1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,23,24)/b7-6-,10-9-,13-12-,16-15- DR1993 CASMILES CCCCCC=CCC=CCC=CCC=CCCCCCC(=O)O DR1993 CAS__NUM CAS 28874-58-0 DR1993 CHEBINUM 53487 DR1994 DRUG__ID DR1994 DR1994 DRUGNAME Icosatrienoic acid DR1994 PUBCMCID 5280581 DR1994 TTDRUGID D0O1TC DR1994 DFORMULA C20H34O2 DR1994 INCHIKEY HOBAELRKJCKHQD-QNEBEIHSSA-N DR1994 DRUINCHI 1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12- DR1994 CASMILES CCCCCC=CCC=CCC=CCCCCCCC(=O)O DR1994 CAS__NUM CAS 1783-84-2 DR1994 CHEBINUM 53486 DR1994 PUBCMSID 6112; 841844; 7850023; 7888613; 8616330; 14849827; 24894557; 26754937; 26754938; 39289665; 46508866; 47364932; 47885171; 50110840; 50834734; 57357798; 85787438; 87322643; 92309702; 99300616; 99302134; 103636894; 104046532; 104115205; 113853558; 126524681; 134222871; 134338087; 134978911; 137205464; 139646151; 160963503; 179150079; 184568160; 198986692; 225022227; 227115049; 250134279; 252368023; 252455426; 252457617 DR1995 DRUG__ID DR1995 DR1995 DRUGNAME Gamma-linolenic acid DR1995 PUBCMCID 5280933 DR1995 TTDRUGID D0UE9X DR1995 DFORMULA C18H30O2 DR1995 INCHIKEY VZCCETWTMQHEPK-QNEBEIHSSA-N DR1995 DRUINCHI 1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12- DR1995 CASMILES CCCCCC=CCC=CCC=CCCCCC(=O)O DR1995 CAS__NUM CAS 506-26-3 DR1995 CHEBINUM 28661 DR1995 PUBCMSID 8661; 615077; 841809; 7850008; 7979368; 8144304; 8616448; 12014288; 14775234; 24882200; 24896312; 26754623; 26754624; 29216151; 39289902; 47290899; 47885167; 49998727; 50110102; 51068121; 51091551; 53787075; 57260207; 57264360; 57357934; 85787690; 87572103; 91700727; 92298626; 92309754; 99300668; 99302186; 103636892; 104046527; 104115203; 113854242; 119525823; 124799300; 126524717; 134976478; 137006167; 141706287; 144205388; 162180888; 163781850; 164223441; 164816041; 175266274; 178101421; 179117054 DR1996 DRUG__ID DR1996 DR1996 DRUGNAME D-glucuronate DR1996 PUBCMCID 94715 DR1996 DFORMULA C6H10O7 DR1996 INCHIKEY AEMOLEFTQBMNLQ-AQKNRBDQSA-N DR1996 DRUINCHI 1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6?/m0/s1 DR1996 CASMILES C1(C(C(OC(C1O)O)C(=O)O)O)O DR1996 CAS__NUM CAS 528-16-5 DR1996 CHEBINUM 47952 DR1997 DRUG__ID DR1997 DR1997 DRUGNAME Dl-glyceraldehyde DR1997 PUBCMCID 751 DR1997 TTDRUGID D09PNQ DR1997 DFORMULA C3H6O3 DR1997 INCHIKEY MNQZXJOMYWMBOU-UHFFFAOYSA-N DR1997 DRUINCHI 1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2 DR1997 CASMILES C(C(C=O)O)O DR1997 CAS__NUM CAS 367-47-5 DR1997 CHEBINUM 5445 DR1998 DRUG__ID DR1998 DR1998 DRUGNAME BRN-0471734 DR1998 PUBCMCID 12088 DR1998 DFORMULA C8H6O3 DR1998 INCHIKEY GOUHYARYYWKXHS-UHFFFAOYSA-N DR1998 DRUINCHI 1S/C8H6O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,(H,10,11) DR1998 CASMILES C1=CC(=CC=C1C=O)C(=O)O DR1998 CAS__NUM CAS 619-66-9 DR2000 DRUG__ID DR2000 DR2000 DRUGNAME Acenaphthenol DR2000 PUBCMCID 22750 DR2000 DFORMULA C12H10O DR2000 INCHIKEY MXUCIEHYJYRTLT-UHFFFAOYSA-N DR2000 DRUINCHI 1S/C12H10O/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6,11,13H,7H2 DR2000 CASMILES C1C(C2=CC=CC3=C2C1=CC=C3)O DR2000 CAS__NUM CAS 6306-07-6 DR2001 DRUG__ID DR2001 DR2001 DRUGNAME Indan-1-ol DR2001 PUBCMCID 22819 DR2001 DFORMULA C9H10O DR2001 INCHIKEY YIAPLDFPUUJILH-UHFFFAOYSA-N DR2001 DRUINCHI 1S/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2 DR2001 CASMILES C1CC2=CC=CC=C2C1O DR2001 CAS__NUM CAS 6351-10-6 DR2001 CHEBINUM 16697 DR2002 DRUG__ID DR2002 DR2002 DRUGNAME Pyrene-1-aldehyde DR2002 PUBCMCID 232848 DR2002 DFORMULA C17H10O DR2002 INCHIKEY RCYFOPUXRMOLQM-UHFFFAOYSA-N DR2002 DRUINCHI 1S/C17H10O/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-10H DR2002 CASMILES C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C=O DR2002 CAS__NUM CAS 3029-19-4 DR2003 DRUG__ID DR2003 DR2003 DRUGNAME Hydroxymethylpyrene DR2003 PUBCMCID 104977 DR2003 DFORMULA C17H12O DR2003 INCHIKEY NGDMLQSGYUCLDC-UHFFFAOYSA-N DR2003 DRUINCHI 1S/C17H12O/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-9,18H,10H2 DR2003 CASMILES C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CO DR2003 CAS__NUM CAS 24463-15-8 DR2004 DRUG__ID DR2004 DR2004 DRUGNAME Heptyl carbinol DR2004 PUBCMCID 957 DR2004 TTDRUGID D00VJY DR2004 DFORMULA C8H18O DR2004 INCHIKEY KBPLFHHGFOOTCA-UHFFFAOYSA-N DR2004 DRUINCHI 1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3 DR2004 CASMILES CCCCCCCCO DR2004 CAS__NUM CAS 111-87-5 DR2004 CHEBINUM 16188 DR2004 PUBCMSID 3023; 4018; 75195; 587845; 822750; 830282; 3135282; 7544276; 8025740; 8142741; 8144978; 8150889; 10504085; 14709457; 15170672; 17389591; 24430804; 24439314; 24847103; 24857646; 24857945; 24862171; 24867772; 24870797; 24890156; 24901178; 24901179; 26752869; 26752870; 30055059; 30955680; 31551468; 32858912; 36655397; 37354943; 48415132; 48417290; 48419137; 48425414; 48426134; 49732778; 49846420; 49856865; 53788048; 57320621; 57646905; 57648362; 57648399; 78684725; 81059635 DR2005 DRUG__ID DR2005 DR2005 DRUGNAME BRN-2330710 DR2005 PUBCMCID 146932 DR2005 DFORMULA C17H12O DR2005 INCHIKEY XIKICBSLAFJTDZ-UHFFFAOYSA-N DR2005 DRUINCHI 1S/C17H12O/c18-10-11-8-14-6-4-12-2-1-3-13-5-7-15(9-11)17(14)16(12)13/h1-9,18H,10H2 DR2005 CASMILES C1=CC2=C3C(=C1)C=CC4=C3C(=CC(=C4)CO)C=C2 DR2005 CAS__NUM CAS 24471-48-5 DR2006 DRUG__ID DR2006 DR2006 DRUGNAME Pyrenemethanol DR2006 PUBCMCID 57934637 DR2006 DFORMULA C17H12O DR2006 INCHIKEY LABNFNHSRBDQDP-UHFFFAOYSA-N DR2006 DRUINCHI 1S/C17H12O/c18-10-14-9-13-5-1-3-11-7-8-12-4-2-6-15(14)17(12)16(11)13/h1-9,18H,10H2 DR2006 CASMILES C1=CC2=C3C(=C1)C=C(C4=CC=CC(=C43)C=C2)CO DR2006 CAS__NUM CAS 22245-54-1 DR2007 DRUG__ID DR2007 DR2007 DRUGNAME Acetaldehyde DR2007 PUBCMCID 177 DR2007 TTDRUGID D0C7WN DR2007 DFORMULA C2H4O DR2007 INCHIKEY IKHGUXGNUITLKF-UHFFFAOYSA-N DR2007 DRUINCHI 1S/C2H4O/c1-2-3/h2H,1H3 DR2007 CASMILES CC=O DR2007 CAS__NUM CAS 75-07-0 DR2007 CHEBINUM 16571 DR2007 PUBCMSID 2088; 3384; 73431; 587302; 826652; 841087; 854897; 3135181; 5378686; 7885680; 8143150; 8150489; 10522935; 10534779; 11528336; 11538262; 14709360; 15146239; 17390069; 24438554; 24698337; 24844966; 24844967; 24862614; 24865119; 24873391; 24883066; 24899137; 24900782; 24900783; 24900784; 24900785; 24900786; 24900787; 24900788; 24900789; 24900790; 26703291; 30162471; 46488150; 46488153; 48413129; 48414938; 48416790; 48421273; 48422755; 48424773; 49693393; 50139618; 50139620 DR2008 DRUG__ID DR2008 DR2008 DRUGNAME Octanal DR2008 PUBCMCID 454 DR2008 DFORMULA C8H16O DR2008 INCHIKEY NUJGJRNETVAIRJ-UHFFFAOYSA-N DR2008 DRUINCHI 1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3 DR2008 CASMILES CCCCCCCC=O DR2008 CAS__NUM CAS 124-13-0 DR2008 CHEBINUM 17935 DR2009 DRUG__ID DR2009 DR2009 DRUGNAME Deoxy-UMP DR2009 PUBCMCID 65063 DR2009 TTDRUGID D0CZ3C DR2009 DFORMULA C9H13N2O8P DR2009 INCHIKEY JSRLJPSBLDHEIO-SHYZEUOFSA-N DR2009 DRUINCHI 1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 DR2009 CASMILES C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O DR2009 CAS__NUM CAS 964-26-1 DR2009 CHEBINUM 17622 DR2009 PUBCMSID 3656; 583802; 798022; 822266; 823444; 825213; 825214; 828144; 828145; 830224; 830228; 830235; 832005; 835128; 835849; 841407; 6436610; 7890996; 8144075; 8189480; 10322973; 10322974; 10322975; 10322976; 14772105; 17403862; 24698007; 24902352; 26707457; 26707458; 26707459; 26707460; 26709019; 26709021; 26711307; 26711587; 26711597; 26711599; 26711600; 26711628; 26711630; 26711632; 26712459; 26712460; 26717973; 29196043; 29211825; 43121904; 46391576; 46392291 DR2010 DRUG__ID DR2010 DR2010 DRUGNAME Deamido-NAD DR2010 PUBCMCID 165491 DR2010 TTDRUGID D07GZT DR2010 DFORMULA C21H27N6O15P2+ DR2010 INCHIKEY SENPVEZBRZQVST-HISDBWNOSA-O DR2010 DRUINCHI 1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1 DR2010 CASMILES C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)O DR2010 CAS__NUM CAS 6450-77-7 DR2010 CHEBINUM 18304 DR2011 DRUG__ID DR2011 DR2011 DRUGNAME Coumaranone DR2011 PUBCMCID 23556 DR2011 DFORMULA C8H6O2 DR2011 INCHIKEY MGKPCLNUSDGXGT-UHFFFAOYSA-N DR2011 DRUINCHI 1S/C8H6O2/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4H,5H2 DR2011 CASMILES C1C(=O)C2=CC=CC=C2O1 DR2011 CAS__NUM CAS 7169-34-8 DR2012 DRUG__ID DR2012 DR2012 DRUGNAME Dihydrocoumarin DR2012 PUBCMCID 660 DR2012 DFORMULA C9H8O2 DR2012 INCHIKEY VMUXSMXIQBNMGZ-UHFFFAOYSA-N DR2012 DRUINCHI 1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2 DR2012 CASMILES C1CC(=O)OC2=CC=CC=C21 DR2012 CAS__NUM CAS 119-84-6 DR2012 CHEBINUM 16151 DR2013 DRUG__ID DR2013 DR2013 DRUGNAME Gamma-butyrolactone DR2013 PUBCMCID 7302 DR2013 TTDRUGID D0QA3I DR2013 DFORMULA C4H6O2 DR2013 INCHIKEY YEJRWHAVMIAJKC-UHFFFAOYSA-N DR2013 DRUINCHI 1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2 DR2013 CASMILES C1CC(=O)OC1 DR2013 CAS__NUM CAS 96-48-0 DR2013 CHEBINUM 42639 DR2013 PUBCMSID 4903; 70860; 588018; 7626330; 8154887; 10538813; 11528358; 12498494; 14709124; 15237740; 17137143; 24891553; 24901615; 26697247; 26714775; 29226172; 37340203; 37495602; 46508619; 48413356; 48416996; 48420859; 48423455; 51073031; 55161562; 56436330; 57324105; 57581177; 74807205; 92252449; 103310643; 104023018; 104314563; 104668347; 117591527; 118980210; 124954223; 124954224; 125001736; 125001739; 125308566; 125360376; 126523369; 126657595; 126678505; 126734388; 127319434; 127319435; 127319436; 127319437 DR2014 DRUG__ID DR2014 DR2014 DRUGNAME Gamma-thiobutyrolactone DR2014 PUBCMCID 13852 DR2014 DFORMULA C4H6OS DR2014 INCHIKEY KMSNYNIWEORQDJ-UHFFFAOYSA-N DR2014 DRUINCHI 1S/C4H6OS/c5-4-2-1-3-6-4/h1-3H2 DR2014 CASMILES C1CC(=O)SC1 DR2014 CAS__NUM CAS 1003-10-7 DR2014 CHEBINUM 89059 DR2015 DRUG__ID DR2015 DR2015 DRUGNAME Homogentisic acid DR2015 PUBCMCID 75898 DR2015 DFORMULA C8H6O3 DR2015 INCHIKEY POUITAHNNRJWMA-UHFFFAOYSA-N DR2015 DRUINCHI 1S/C8H6O3/c9-6-1-2-7-5(3-6)4-8(10)11-7/h1-3,9H,4H2 DR2015 CASMILES C1C2=C(C=CC(=C2)O)OC1=O DR2015 CAS__NUM CAS 2688-48-4 DR2015 CHEBINUM 141343 DR2016 DRUG__ID DR2016 DR2016 DRUGNAME RTR-003632 DR2016 PUBCMCID 31229 DR2016 DFORMULA C8H8O2 DR2016 INCHIKEY IPBVNPXQWQGGJP-UHFFFAOYSA-N DR2016 DRUINCHI 1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3 DR2016 CASMILES CC(=O)OC1=CC=CC=C1 DR2016 CAS__NUM CAS 122-79-2 DR2016 CHEBINUM 8082 DR2017 DRUG__ID DR2017 DR2017 DRUGNAME Sapropterin DR2017 PUBCMCID 135398654 DR2017 DFORMULA C9H15N5O3 DR2017 INCHIKEY FNKQXYHWGSIFBK-RPDRRWSUSA-N DR2017 DRUINCHI 1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1 DR2017 CASMILES CC(C(C1CNC2=C(N1)C(=O)NC(=N2)N)O)O DR2017 CAS__NUM CAS 62989-33-7 DR2017 CHEBINUM 59560 DR2018 DRUG__ID DR2018 DR2018 DRUGNAME Tetrahydrobiopterin DR2018 PUBCMCID 135402045 DR2018 TTDRUGID D0Q9YT DR2018 DFORMULA C9H15N5O3 DR2018 INCHIKEY FNKQXYHWGSIFBK-UHFFFAOYSA-N DR2018 DRUINCHI 1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17) DR2018 CASMILES CC(C(C1CNC2=C(N1)C(=O)NC(=N2)N)O)O DR2018 CAS__NUM CAS 17528-72-2 DR2018 CHEBINUM 15372 DR2022 DRUG__ID DR2022 DR2022 DRUGNAME Dehydrocorticosterone DR2022 PUBCMCID 5311364 DR2022 DFORMULA C21H28O4 DR2022 INCHIKEY FUFLCEKSBBHCMO-KJQYFISQSA-N DR2022 DRUINCHI 1S/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-16,19,22H,3-8,10-11H2,1-2H3/t14-,15-,16+,19+,20-,21-/m0/s1 DR2022 CASMILES CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4C(=O)CO)C DR2022 CAS__NUM CAS 72-23-1 DR2022 CHEBINUM 78600 DR2023 DRUG__ID DR2023 DR2023 DRUGNAME ZX-AP000068 DR2023 PUBCMCID 13351 DR2023 DFORMULA C3H6FNO2 DR2023 INCHIKEY OJQNRNQELNLWHH-UHFFFAOYSA-N DR2023 DRUINCHI 1S/C3H6FNO2/c4-2(1-5)3(6)7/h2H,1,5H2,(H,6,7) DR2023 CASMILES C(C(C(=O)O)F)N DR2023 CAS__NUM CAS 3821-81-6 DR2023 CHEBINUM 80626 DR2024 DRUG__ID DR2024 DR2024 DRUGNAME NSC-39851 DR2024 PUBCMCID 83791 DR2024 DFORMULA CH5NO3S DR2024 INCHIKEY OBESRABRARNZJB-UHFFFAOYSA-N DR2024 DRUINCHI 1S/CH5NO3S/c2-1-6(3,4)5/h1-2H2,(H,3,4,5) DR2024 CASMILES C(N)S(=O)(=O)O DR2024 CAS__NUM CAS 13881-91-9 DR2025 DRUG__ID DR2025 DR2025 DRUGNAME Glycine DR2025 PUBCMCID 750 DR2025 TTDRUGID D0M8AB DR2025 DFORMULA C2H5NO2 DR2025 INCHIKEY DHMQDGOQFOQNFH-UHFFFAOYSA-N DR2025 DRUINCHI 1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5) DR2025 CASMILES C(C(=O)O)N DR2025 CAS__NUM CAS 56-40-6 DR2025 CHEBINUM 15428 DR2025 PUBCMSID 3339; 86929; 585843; 589752; 626974; 827140; 829229; 829387; 830123; 833865; 836630; 836631; 838484; 841093; 3133349; 6435754; 7346033; 7847079; 7887927; 7979426; 8026292; 8026825; 8138085; 8145759; 8150769; 10527483; 11113413; 11528254; 14747327; 16955354; 17404564; 24439112; 24775647; 24849510; 24860042; 24865701; 24873323; 24895210; 24895217; 24895290; 24895306; 24895353; 24895355; 24898980; 24901611; 26718882; 26751653; 33728423; 37415007; 46295148 DR2026 DRUG__ID DR2026 DR2026 DRUGNAME Cotinine DR2026 PUBCMCID 854019 DR2026 TTDRUGID D0TY5N DR2026 DFORMULA C10H12N2O DR2026 INCHIKEY UIKROCXWUNQSPJ-VIFPVBQESA-N DR2026 DRUINCHI 1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1 DR2026 CASMILES CN1C(CCC1=O)C2=CN=CC=C2 DR2026 CAS__NUM CAS 486-56-6 DR2026 CHEBINUM 68641 DR2026 PUBCMSID 585010; 1096246; 9167258; 10321235; 11336036; 11361275; 11364950; 11367512; 11370074; 11371779; 11375504; 11378245; 11462247; 11466110; 11467230; 11485679; 11490516; 11493607; 11495798; 11537576; 15195099; 15321989; 17404848; 24278324; 24892255; 26611674; 26719720; 45842446; 46386857; 47216831; 47216832; 47440317; 47589047; 47959806; 48035187; 48110503; 48185048; 48259286; 48334554; 49681728; 49698332; 53777391; 53788514; 57408847; 57653976; 74938588; 81092919; 85165356; 85787848; 85789411 DR2028 DRUG__ID DR2028 DR2028 DRUGNAME Propandiamine DR2028 PUBCMCID 428 DR2028 DFORMULA C3H10N2 DR2028 INCHIKEY XFNJVJPLKCPIBV-UHFFFAOYSA-N DR2028 DRUINCHI 1S/C3H10N2/c4-2-1-3-5/h1-5H2 DR2028 CASMILES C(CN)CN DR2028 CAS__NUM CAS 109-76-2 DR2028 CHEBINUM 35411 DR2029 DRUG__ID DR2029 DR2029 DRUGNAME Diethylenetriamine DR2029 PUBCMCID 8111 DR2029 TTDRUGID D09WVV DR2029 DFORMULA C4H13N3 DR2029 INCHIKEY RPNUMPOLZDHAAY-UHFFFAOYSA-N DR2029 DRUINCHI 1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2 DR2029 CASMILES C(CNCCN)N DR2029 CAS__NUM CAS 111-40-0 DR2029 CHEBINUM 30629 DR2030 DRUG__ID DR2030 DR2030 DRUGNAME Ethylenediamine DR2030 PUBCMCID 3301 DR2030 TTDRUGID D0WT6A DR2030 DFORMULA C2H8N2 DR2030 INCHIKEY PIICEJLVQHRZGT-UHFFFAOYSA-N DR2030 DRUINCHI 1S/C2H8N2/c3-1-2-4/h1-4H2 DR2030 CASMILES C(CN)N DR2030 CAS__NUM CAS 85404-18-8 DR2030 CHEBINUM 30347 DR2030 PUBCMSID 587065; 624655; 3133207; 5242029; 7848177; 8146162; 8152101; 10503396; 11108729; 11528266; 14915904; 17389605; 24845499; 24849054; 24854432; 24864357; 24865689; 24894420; 24894428; 24894477; 35227497; 37336904; 37376168; 37649067; 39950111; 41431815; 48415073; 48417152; 48421521; 48423421; 48425139; 57321714; 57647290; 57648051; 75965786; 85085947; 85085948; 87244999; 87569388; 87569390; 88826368; 96022455; 103214369; 103816441; 104303110; 104667273; 117531664; 118980204; 123071362; 124891040 DR2031 DRUG__ID DR2031 DR2031 DRUGNAME NSC-63853 DR2031 PUBCMCID 91451 DR2031 TTDRUGID D06MRM DR2031 DFORMULA C21H32O3 DR2031 INCHIKEY JERGUCIJOXJXHF-TVWVXWENSA-N DR2031 DRUINCHI 1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1 DR2031 CASMILES CC(=O)C1(CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O DR2031 CAS__NUM CAS 387-79-1 DR2031 CHEBINUM 28750 DR2031 PUBCMSID 841443; 855825; 10224803; 14875321; 17425085; 24702314; 44422400; 50019734; 53790772; 57334862; 71831438; 76250425; 92298057; 93167067; 103566225; 104404818; 123080711; 124800596; 125309465; 126523206; 128264115; 135048384; 137236028; 164152383; 164760906; 178101796; 179505061; 184545691; 221121815; 227022703; 249857761; 249910018 DR2032 DRUG__ID DR2032 DR2032 DRUGNAME All-trans-retinal DR2032 PUBCMCID 638015 DR2032 TTDRUGID D05SOU DR2032 DFORMULA C20H28O DR2032 INCHIKEY NCYCYZXNIZJOKI-OVSJKPMPSA-N DR2032 DRUINCHI 1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ DR2032 CASMILES CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C DR2032 CAS__NUM CAS 116-31-4 DR2032 CHEBINUM 17898 DR2032 PUBCMSID 3136; 3666; 83356; 228445; 416401; 416402; 493006; 589152; 3157260; 8143959; 8704598; 10504630; 10524847; 12276012; 14775466; 17388687; 24702066; 24899355; 24899382; 43760279; 48424039; 48425697; 49854777; 53790090; 53812631; 57407725; 77047160; 91615887; 103282386; 103847254; 113528124; 113584862; 117624017; 117682346; 124890043; 124890044; 124890045; 124890046; 124890047; 126523991; 126637303; 134975373; 135651434; 137004766; 137005733; 142478968; 144208203; 162219414; 164806111; 175265990 DR2033 DRUG__ID DR2033 DR2033 DRUGNAME Decanal DR2033 PUBCMCID 8175 DR2033 DFORMULA C10H20O DR2033 INCHIKEY KSMVZQYAVGTKIV-UHFFFAOYSA-N DR2033 DRUINCHI 1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3 DR2033 CASMILES CCCCCCCCCC=O DR2033 CAS__NUM CAS 112-31-2 DR2033 CHEBINUM 31457 DR2034 DRUG__ID DR2034 DR2034 DRUGNAME SC-47945 DR2034 PUBCMCID 119219 DR2034 TTDRUGID D07SCW DR2034 DFORMULA C8H8O3 DR2034 INCHIKEY IADQVXRMSNIUEL-UHFFFAOYSA-N DR2034 DRUINCHI 1S/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2 DR2034 CASMILES C1=CC(=C(C=C1CC=O)O)O DR2034 CAS__NUM CAS 5707-55-1 DR2034 CHEBINUM 27978 DR2034 PUBCMSID 6744; 4408704; 10238394; 15194755; 29300152; 50414728; 57339383; 57390742; 103822060; 104222097; 104407816; 117625102; 125677641; 126524914; 127669991; 128138293; 135074305; 135604781; 135653854; 137008348; 139967972; 162219701; 162874569; 172870835; 178103245; 179148242; 216234198; 227159290; 251874845 DR2035 DRUG__ID DR2035 DR2035 DRUGNAME Dehydroascorbate DR2035 PUBCMCID 440667 DR2035 TTDRUGID D0Q0XE DR2035 DFORMULA C6H6O6 DR2035 INCHIKEY SBJKKFFYIZUCET-JLAZNSOCSA-N DR2035 DRUINCHI 1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1 DR2035 CASMILES C(C(C1C(=O)C(=O)C(=O)O1)O)O DR2035 CAS__NUM CAS 490-83-5 DR2035 CHEBINUM 27956 DR2035 PUBCMSID 7786; 10298636; 15219547; 24712288; 24855820; 24894191; 29204021; 36884658; 53789738; 57403417; 68530687; 77327812; 88835380; 92297615; 104623586; 117613608; 131316051; 135874386; 137003204; 140408100; 162199578; 162221209; 164792853; 175444061; 178101444; 179150496; 198982379; 223509582; 226447355; 241082335; 252346267 DR2036 DRUG__ID DR2036 DR2036 DRUGNAME ANW-43980 DR2036 PUBCMCID 124886 DR2036 TTDRUGID D02HFD DR2036 DFORMULA C10H17N3O6S DR2036 INCHIKEY RWSXRVCMGQZWBV-WDSKDSINSA-N DR2036 DRUINCHI 1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 DR2036 CASMILES C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N DR2036 CAS__NUM CAS 70-18-8 DR2036 CHEBINUM 16856 DR2036 PUBCMSID 3353; 5486; 584925; 585393; 585424; 585868; 597405; 818762; 820159; 820986; 821009; 821976; 821977; 823584; 823921; 823937; 823938; 823940; 823941; 823951; 824192; 824837; 825748; 828541; 828542; 829059; 829900; 831498; 833160; 834720; 835369; 836320; 836434; 836436; 836441; 836516; 837543; 838218; 838751; 838765; 841095; 854378; 855260; 3133343; 6435995; 7847082; 7887988; 8011661; 8019868; 8022090 DR2037 DRUG__ID DR2037 DR2037 DRUGNAME Acetyl-CoA DR2037 PUBCMCID 444493 DR2037 TTDRUGID D01AWE DR2037 DFORMULA C23H38N7O17P3S DR2037 INCHIKEY ZSLZBFCDCINBPY-ZSJPKINUSA-N DR2037 DRUINCHI 1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1 DR2037 CASMILES CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O DR2037 CAS__NUM CAS 72-89-9 DR2037 CHEBINUM 15351 DR2037 PUBCMSID 1779; 3326; 585640; 820704; 822294; 823218; 824919; 826846; 829086; 829103; 829806; 831238; 831240; 834102; 837311; 841347; 855085; 7885691; 8027383; 8028055; 8028566; 10299538; 10317655; 10318175; 10318247; 10318521; 11110405; 11110459; 14710306; 14710334; 14710480; 17404244; 17422545; 17424997; 24277059; 24277587; 24424435; 24424471; 24778751; 24778980; 26703508; 26708546; 26716778; 26718485; 26718888; 29196119; 29211946; 36887496; 49742999; 50126532 DR2038 DRUG__ID DR2038 DR2038 DRUGNAME Aminophenol DR2038 PUBCMCID 5801 DR2038 DFORMULA C6H7NO DR2038 INCHIKEY CDAWCLOXVUBKRW-UHFFFAOYSA-N DR2038 DRUINCHI 1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2 DR2038 CASMILES C1=CC=C(C(=C1)N)O DR2038 CAS__NUM CAS 95-55-6 DR2038 CHEBINUM 18112 DR2039 DRUG__ID DR2039 DR2039 DRUGNAME Myrisglycerol-phosphate DR2039 PUBCMCID 9547180 DR2039 DFORMULA C17H35O7P DR2039 INCHIKEY FAZBDRGXCKPVJU-MRXNPFEDSA-N DR2039 DRUINCHI 1S/C17H35O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22/h16,18H,2-15H2,1H3,(H2,20,21,22)/t16-/m1/s1 DR2039 CASMILES CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O DR2039 CAS__NUM CAS 65446-07-3 DR2039 CHEBINUM 62833 DR2042 DRUG__ID DR2042 DR2042 DRUGNAME Methylamine DR2042 PUBCMCID 6329 DR2042 DFORMULA CH5N DR2042 INCHIKEY BAVYZALUXZFZLV-UHFFFAOYSA-N DR2042 DRUINCHI 1S/CH5N/c1-2/h2H2,1H3 DR2042 CASMILES CN DR2042 CAS__NUM CAS 74-89-5 DR2042 CHEBINUM 16830 DR2043 DRUG__ID DR2043 DR2043 DRUGNAME LS-103895 DR2043 PUBCMCID 5610 DR2043 TTDRUGID D0C5RZ DR2043 DFORMULA C8H11NO DR2043 INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N DR2043 DRUINCHI 1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2 DR2043 CASMILES C1=CC(=CC=C1CCN)O DR2043 CAS__NUM CAS 51-67-2 DR2043 CHEBINUM 15760 DR2043 PUBCMSID 3766; 136967; 608127; 839997; 858070; 3134838; 5502075; 8143353; 8150088; 8153454; 10524949; 11111872; 11336093; 11361332; 11364107; 11366669; 11369231; 11371765; 11375541; 11377393; 11462304; 11484432; 11488554; 11490509; 11493615; 11495027; 15321440; 24715053; 24889929; 24900582; 25622217; 26512235; 26613119; 26679249; 26747190; 26747191; 26752293; 26752294; 29204652; 29224648; 41530225; 47291202; 47365262; 47515377; 47810820; 47959828; 47959829; 48035206; 49649954; 49748652 DR2045 DRUG__ID DR2045 DR2045 DRUGNAME Dichloroindophenol DR2045 PUBCMCID 13726 DR2045 DFORMULA C12H7Cl2NO2 DR2045 INCHIKEY FBWADIKARMIWNM-UHFFFAOYSA-N DR2045 DRUINCHI 1S/C12H7Cl2NO2/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7/h1-6,17H DR2045 CASMILES C1=CC(=O)C=CC1=NC2=CC(=C(C(=C2)Cl)O)Cl DR2045 CAS__NUM CAS 956-48-9 DR2045 CHEBINUM 945 DR2046 DRUG__ID DR2046 DR2046 DRUGNAME Ferricyanide DR2046 PUBCMCID 439210 DR2046 DFORMULA C6FeN6-3 DR2046 INCHIKEY YAGKRVSRTSUGEY-UHFFFAOYSA-N DR2046 DRUINCHI 1S/6CN.Fe/c6*1-2;/q6*-1;+3 DR2046 CASMILES [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+3] DR2046 CAS__NUM CAS 13408-62-3 DR2046 CHEBINUM 5020 DR2047 DRUG__ID DR2047 DR2047 DRUGNAME C-46053 DR2047 PUBCMCID 444104 DR2047 TTDRUGID D02HFD DR2047 DFORMULA C10H17N3O9S DR2047 INCHIKEY QGWRMTHFAZVWAM-WDSKDSINSA-N DR2047 DRUINCHI 1S/C10H17N3O9S/c11-5(10(18)19)1-2-7(14)13-6(4-23(20,21)22)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)(H,20,21,22)/t5-,6-/m0/s1 DR2047 CASMILES C(CC(=O)NC(CS(=O)(=O)O)C(=O)NCC(=O)O)C(C(=O)O)N DR2047 CAS__NUM CAS 3773-07-7 DR2048 DRUG__ID DR2048 DR2048 DRUGNAME Leukotriene C4 DR2048 PUBCMCID 5280493 DR2048 TTDRUGID D0EW6H DR2048 DFORMULA C30H47N3O9S DR2048 INCHIKEY GWNVDXQDILPJIG-NXOLIXFESA-N DR2048 DRUINCHI 1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1 DR2048 CASMILES CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N DR2048 CAS__NUM CAS 72025-60-6 DR2048 CHEBINUM 16978 DR2048 PUBCMSID 5241; 4266071; 7978470; 8144736; 8616294; 26756768; 39289599; 47439963; 50111412; 53787291; 57357762; 76781864; 92126168; 103591345; 113853360; 126523876; 127302679; 127302680; 127302681; 127302682; 127302683; 127302684; 127302685; 135651512; 137005676; 137240026; 138355248; 179293089; 184584916; 198947983; 237822003; 250135036; 252455506; 252467942 DR2049 DRUG__ID DR2049 DR2049 DRUGNAME Glutathiol DR2049 PUBCMCID 65359 DR2049 TTDRUGID D07BDD DR2049 DFORMULA C20H32N6O12S2 DR2049 INCHIKEY YPZRWBKMTBYPTK-BJDJZHNGSA-N DR2049 DRUINCHI 1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1 DR2049 CASMILES C(CC(=O)NC(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N DR2049 CAS__NUM CAS 27025-41-8 DR2049 CHEBINUM 17858 DR2049 PUBCMSID 3427; 585870; 806879; 841098; 3136528; 7847099; 7887808; 7887987; 8145606; 8189646; 14789556; 14838688; 24849044; 24873116; 24873118; 24895168; 24895174; 24895265; 26715683; 26754399; 29215201; 43122165; 48493821; 49973708; 53789868; 57315456; 57651219; 75931676; 81044516; 81065831; 85164993; 87325785; 91689687; 92309454; 96100227; 99452992; 103458646; 104333553; 118048837; 124570891; 126596846; 129831439; 134222313; 134340058; 134340320; 135022908; 135074887; 137202462; 137262620; 141537993 DR2051 DRUG__ID DR2051 DR2051 DRUGNAME Glutathione ester DR2051 PUBCMCID 115260 DR2051 DFORMULA C11H19N3O6S DR2051 INCHIKEY QTQDDTSVRVWHMO-BQBZGAKWSA-N DR2051 DRUINCHI 1S/C11H19N3O6S/c1-21-5-7(10(18)13-4-9(16)17)14-8(15)3-2-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1 DR2051 CASMILES CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N DR2051 CAS__NUM CAS 2922-56-7 DR2051 CHEBINUM 141472 DR2052 DRUG__ID DR2052 DR2052 DRUGNAME Adenosine-c-phosphate DR2052 PUBCMCID 6076 DR2052 TTDRUGID D0UB2J DR2052 DFORMULA C10H12N5O6P DR2052 INCHIKEY IVOMOUWHDPKRLL-KQYNXXCUSA-N DR2052 DRUINCHI 1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 DR2052 CASMILES C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O DR2052 CAS__NUM CAS 60-92-4 DR2052 CHEBINUM 17489 DR2053 DRUG__ID DR2053 DR2053 DRUGNAME Mevalonate DR2053 PUBCMCID 5288798 DR2053 TTDRUGID D03GRA DR2053 DFORMULA C6H11O4- DR2053 INCHIKEY KJTLQQUUPVSXIM-ZCFIWIBFSA-M DR2053 DRUINCHI 1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/p-1/t6-/m1/s1 DR2053 CASMILES CC(CCO)(CC(=O)[O-])O DR2053 CAS__NUM CAS 150-97-0 DR2053 CHEBINUM 36464 DR2053 PUBCMSID 2951; 7888884; 14717736; 39321128; 46508035; 50669434; 61013392; 113872836; 135651556; 137139211; 160966633; 162779470; 223808188 DR2054 DRUG__ID DR2054 DR2054 DRUGNAME Pantothenate DR2054 PUBCMCID 6613 DR2054 TTDRUGID D07SJT DR2054 DFORMULA C9H17NO5 DR2054 INCHIKEY GHOKWGTUZJEAQD-ZETCQYMHSA-N DR2054 DRUINCHI 1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1 DR2054 CASMILES CC(C)(CO)C(C(=O)NCCC(=O)O)O DR2054 CAS__NUM CAS 79-83-4 DR2054 CHEBINUM 46905 DR2054 PUBCMSID 4121; 583837; 841785; 7889709; 8154257; 14716256; 14773516; 14822639; 26744198; 29225567; 48416376; 49829566; 49829569; 50002245; 57323585; 75609955; 84975040; 84975053; 85165091; 92297883; 92309304; 93576338; 93576348; 96024426; 103590392; 104253655; 104312559; 118046184; 124757837; 124807065; 125164641; 126678159; 127955031; 131472801; 134222007; 134971687; 135692491; 137161661; 137242683; 142712126; 160965012; 162154391; 162846114; 163414897; 163849400; 163883308; 164809565; 172097051; 174007330; 175268433 DR2055 DRUG__ID DR2055 DR2055 DRUGNAME Lactate DR2055 PUBCMCID 107689 DR2055 TTDRUGID D06FZS DR2055 DFORMULA C3H6O3 DR2055 INCHIKEY JVTAAEKCZFNVCJ-REOHCLBHSA-N DR2055 DRUINCHI 1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1 DR2055 CASMILES CC(C(=O)O)O DR2055 CAS__NUM CAS 10326-41-7 DR2055 CHEBINUM 422 DR2055 PUBCMSID 3486; 584014; 584016; 587061; 830465; 3133728; 7888600; 8145829; 10234386; 15119658; 15296943; 22387985; 22394324; 24851901; 24856738; 24870591; 24896289; 24896436; 44436662; 49747913; 49747914; 49988471; 51026137; 56435506; 56465040; 57338185; 57647809; 57648269; 85098642; 85098644; 85098646; 85165024; 87572116; 91614149; 92297919; 103304458; 103827554; 104379492; 117393789; 117541770; 126523065; 126596858; 128334453; 135019588; 135064941; 135651506; 136023815; 137008366; 142375398; 144080980 DR2056 DRUG__ID DR2056 DR2056 DRUGNAME Malate DR2056 PUBCMCID 222656 DR2056 DFORMULA C4H6O5 DR2056 INCHIKEY BJEPYKJPYRNKOW-REOHCLBHSA-N DR2056 DRUINCHI 1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1 DR2056 CASMILES C(C(C(=O)O)O)C(=O)O DR2056 CAS__NUM CAS 636-61-3 DR2056 CHEBINUM 30797 DR2057 DRUG__ID DR2057 DR2057 DRUGNAME Inositol-trisphosphate DR2057 PUBCMCID 439456 DR2057 TTDRUGID D0MR1K DR2057 DFORMULA C6H15O15P3 DR2057 INCHIKEY MMWCIQZXVOZEGG-XJTPDSDZSA-N DR2057 DRUINCHI 1S/C6H15O15P3.6K/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12;;;;;;/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18);;;;;;/q;6*+1/p-6 DR2057 CASMILES C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O DR2057 CAS__NUM CAS 85166-31-0 DR2057 CHEBINUM 16595 DR2058 DRUG__ID DR2058 DR2058 DRUGNAME Hexylacrolein DR2058 PUBCMCID 5283335 DR2058 DFORMULA C9H16O DR2058 INCHIKEY BSAIUMLZVGUGKX-BQYQJAHWSA-N DR2058 DRUINCHI 1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7+ DR2058 CASMILES CCCCCCC=CC=O DR2058 CAS__NUM CAS 18829-56-6 DR2058 CHEBINUM 61726 DR2059 DRUG__ID DR2059 DR2059 DRUGNAME Oxoglutarate DR2059 PUBCMCID 51 DR2059 TTDRUGID D09KQZ DR2059 DFORMULA C5H6O5 DR2059 INCHIKEY KPGXRSRHYNQIFN-UHFFFAOYSA-N DR2059 DRUINCHI 1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10) DR2059 CASMILES C(CC(=O)O)C(=O)C(=O)O DR2059 CAS__NUM CAS 328-50-7 DR2059 CHEBINUM 30915 DR2059 PUBCMSID 3328; 80706; 820888; 820890; 820952; 821199; 821363; 821365; 826540; 827040; 828687; 828688; 828690; 836159; 837490; 837495; 837496; 837918; 841741; 3133601; 4252672; 6312360; 7885202; 7885817; 8026183; 8138018; 8145356; 8150433; 10319709; 10322722; 10518773; 11405806; 11459129; 11459622; 11532715; 14710598; 14710663; 14716068; 14716122; 15321557; 17389187; 17424980; 22390397; 24438432; 24698269; 24844201; 24844229; 24875185; 24896202; 24896211 DR2060 DRUG__ID DR2060 DR2060 DRUGNAME Acetyl ethylene DR2060 PUBCMCID 6570 DR2060 DFORMULA C4H6O DR2060 INCHIKEY FUSUHKVFWTUUBE-UHFFFAOYSA-N DR2060 DRUINCHI 1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3 DR2060 CASMILES CC(=O)C=C DR2060 CAS__NUM CAS 78-94-4 DR2060 CHEBINUM 48058 DR2061 DRUG__ID DR2061 DR2061 DRUGNAME J-009747 DR2061 PUBCMCID 5283314 DR2061 DFORMULA C6H10O2 DR2061 INCHIKEY JYTUBIHWMKQZRB-ONEGZZNKSA-N DR2061 DRUINCHI 1S/C6H10O2/c1-2-6(8)4-3-5-7/h3-6,8H,2H2,1H3/b4-3+ DR2061 CASMILES CCC(C=CC=O)O DR2061 CAS__NUM CAS 17427-08-6 DR2062 DRUG__ID DR2062 DR2062 DRUGNAME Hydroxy-2-nonenal DR2062 PUBCMCID 5283344 DR2062 TTDRUGID D08UPA DR2062 DFORMULA C9H16O2 DR2062 INCHIKEY JVJFIQYAHPMBBX-FNORWQNLSA-N DR2062 DRUINCHI 1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+ DR2062 CASMILES CCCCCC(C=CC=O)O DR2062 CAS__NUM CAS 83038-87-3 DR2062 CHEBINUM 32585 DR2062 PUBCMSID 7850465; 8147636; 11038923; 15243184; 26754765; 26758900; 39316755; 47364913; 47810490; 49997939; 50064651;50073999; 53787583; 56310906; 56313782; 57358914; 78199627; 84974784; 85789434; 92741689; 103139717; 103583149; 104046402; 104099050; 113859801; 117426862; 117624029; 117682336; 124892328; 126525076;132557581; 134339608; 135011386; 135023140; 135110627; 137003316; 137005578; 137520823; 141872936; 144206614; 162093330; 163687944; 178102894; 179148321; 184589924; 204435083; 226396012; 250132934; 252457420; 252467740 DR2063 DRUG__ID DR2063 DR2063 DRUGNAME Nitrocatechol sulfate DR2063 PUBCMCID 165879 DR2063 DFORMULA C6H5NO7S DR2063 INCHIKEY XMCCOOONGGUOLA-UHFFFAOYSA-N DR2063 DRUINCHI 1S/C6H5NO7S/c8-5-2-1-4(7(9)10)3-6(5)14-15(11,12)13/h1-3,8H,(H,11,12,13) DR2063 CASMILES C1=CC(=C(C=C1[N+](=O)[O-])OS(=O)(=O)O)O DR2063 CAS__NUM CAS 10485-66-2 DR2063 CHEBINUM 41733 DR2064 DRUG__ID DR2064 DR2064 DRUGNAME Nitrophenylphosphate DR2064 PUBCMCID 378 DR2064 TTDRUGID D0T0YI DR2064 DFORMULA C6H6NO6P DR2064 INCHIKEY XZKIHKMTEMTJQX-UHFFFAOYSA-N DR2064 DRUINCHI 1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12) DR2064 CASMILES C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)O DR2064 CAS__NUM CAS 330-13-2 DR2064 CHEBINUM 17440 DR2065 DRUG__ID DR2065 DR2065 DRUGNAME P-nitrophenyl DR2065 PUBCMCID 161880 DR2065 DFORMULA C12H15NO8 DR2065 INCHIKEY IFBHRQDFSNCLOZ-LDMBFOFVSA-N DR2065 DRUINCHI 1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11+,12-/m1/s1 DR2065 CASMILES C1=CC(=CC=C1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O DR2065 CAS__NUM CAS 35599-02-1 DR2066 DRUG__ID DR2066 DR2066 DRUGNAME Methylthioadenosine DR2066 PUBCMCID 439176 DR2066 TTDRUGID D0E4WF DR2066 DFORMULA C11H15N5O3S DR2066 INCHIKEY WUUGFSXJNOTRMR-IOSLPCCCSA-N DR2066 DRUINCHI 1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 DR2066 CASMILES CSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O DR2066 CAS__NUM CAS 2457-80-9 DR2066 CHEBINUM 17509 DR2068 DRUG__ID DR2068 DR2068 DRUGNAME Adenylylsulfate DR2068 PUBCMCID 10238 DR2068 DFORMULA C10H14N5O10PS DR2068 INCHIKEY IRLPACMLTUPBCL-KQYNXXCUSA-N DR2068 DRUINCHI 1S/C10H14N5O10PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)/t4-,6-,7-,10-/m1/s1 DR2068 CASMILES C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OS(=O)(=O)O)O)O)N DR2068 CAS__NUM CAS 485-84-7 DR2068 CHEBINUM 17709 DR2069 DRUG__ID DR2069 DR2069 DRUGNAME Alpha-D-galactose DR2069 PUBCMCID 439357 DR2069 TTDRUGID D0D0BJ DR2069 DFORMULA C6H12O6 DR2069 INCHIKEY WQZGKKKJIJFFOK-PHYPRBDBSA-N DR2069 DRUINCHI 1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1 DR2069 CASMILES C(C1C(C(C(C(O1)O)O)O)O)O DR2069 CAS__NUM CAS 3646-73-9 DR2069 CHEBINUM 28061 DR2069 PUBCMSID 2126; 4231; 585631; 819737; 821847; 822032; 823284; 824185; 825231; 825450; 827886; 827887; 827891; 827914; 828584;828594; 828763; 829545; 830219; 830571; 830801; 830813; 830975; 831011; 831102; 832269; 833295; 833368; 833476; 834474; 836035; 836778; 836782; 837254; 838212; 838760; 839013; 855047; 855128; 7887757; 7887845; 8004582; 8022578; 8026739; 10298309; 11110371; 12055836; 14717692; 14968276; 17422105 DR2070 DRUG__ID DR2070 DR2070 DRUGNAME Alpha-D-glucose DR2070 PUBCMCID 79025 DR2070 DFORMULA C6H12O6 DR2070 INCHIKEY WQZGKKKJIJFFOK-DVKNGEFBSA-N DR2070 DRUINCHI 1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 DR2070 CASMILES C(C1C(C(C(C(O1)O)O)O)O)O DR2070 CAS__NUM CAS 492-62-6 DR2070 CHEBINUM 17925 DR2073 DRUG__ID DR2073 DR2073 DRUGNAME Beta-fructose phosphate DR2073 PUBCMCID 440641 DR2073 DFORMULA C6H13O9P DR2073 INCHIKEY BGWGXPAPYGQALX-ARQDHWQXSA-N DR2073 DRUINCHI 1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1 DR2073 CASMILES C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O DR2073 CHEBINUM 16084 DR2074 DRUG__ID DR2074 DR2074 DRUGNAME D-ribosylnicotinate DR2074 PUBCMCID 161233 DR2074 DFORMULA C11H13NO6 DR2074 INCHIKEY PUEDDPCUCPRQNY-ZYUZMQFOSA-N DR2074 DRUINCHI 1S/C11H13NO6/c13-5-7-8(14)9(15)10(18-7)12-3-1-2-6(4-12)11(16)17/h1-4,7-10,13-15H,5H2/t7-,8-,9-,10-/m1/s1 DR2074 CASMILES C1=CC(=C[N+](=C1)C2C(C(C(O2)CO)O)O)C(=O)[O-] DR2074 CAS__NUM CAS 17720-18-2 DR2074 CHEBINUM 58527 DR2075 DRUG__ID DR2075 DR2075 DRUGNAME Hydroxybutyryl-CoA DR2075 PUBCMCID 644065 DR2075 DFORMULA C25H42N7O18P3S DR2075 INCHIKEY QHHKKMYHDBRONY-RMNRSTNRSA-N DR2075 DRUINCHI 1S/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13?,14-,18-,19-,20+,24-/m1/s1 DR2075 CASMILES CC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)O DR2075 CAS__NUM CAS 2871-66-1 DR2075 CHEBINUM 37050 DR2076 DRUG__ID DR2076 DR2076 DRUGNAME BRN-0087671 DR2076 PUBCMCID 439224 DR2076 TTDRUGID D0M9BA DR2076 DFORMULA C9H14N4O3 DR2076 INCHIKEY CQOVPNPJLQNMDC-ZETCQYMHSA-N DR2076 DRUINCHI 1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1 DR2076 CASMILES C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN DR2076 CAS__NUM CAS 305-84-0 DR2076 CHEBINUM 15727 DR2076 PUBCMSID 3676; 3138777; 8143363; 10298255; 11113307; 11341645; 11361828; 11364072; 11366634; 11369196; 11372223; 11375363; 11377358; 11484264; 11487230; 11488270; 11491027; 11493487; 11494992; 11537748; 15121551; 15121552; 15196090; 15220561; 24893178; 26612130; 26679654; 26754272; 36883477; 47574407; 48095570; 49747061; 53837760; 74607942; 85165054; 87561884; 88835064; 92715522; 103529382; 104619952; 117531262; 118260670; 124558660; 124636547; 124883182; 126522966; 126608870; 126622085; 126623164; 126653762 DR2077 DRUG__ID DR2077 DR2077 DRUGNAME IP-302 DR2077 PUBCMCID 13804 DR2077 TTDRUGID D02CFP DR2077 DFORMULA C14H26N4O11P2 DR2077 INCHIKEY RZZPDXZPRHQOCG-OJAKKHQRSA-N DR2077 DRUINCHI 1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/t9-,11-,12-,13-/m1/s1 DR2077 CASMILES C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O DR2077 CAS__NUM CAS 987-78-0 DR2077 CHEBINUM 16436 DR2078 DRUG__ID DR2078 DR2078 DRUGNAME Cytidine DR2078 PUBCMCID 6175 DR2078 TTDRUGID D0E7ES DR2078 DFORMULA C9H13N3O5 DR2078 INCHIKEY UHDGCWIWMRVCDJ-XVFCMESISA-N DR2078 DRUINCHI 1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1 DR2078 CASMILES C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O DR2078 CAS__NUM CAS 65-46-3 DR2078 CHEBINUM 17562 DR2078 PUBCMSID 2561; 3758; 610624; 833276; 841097; 3132638; 8144101; 8153876; 11110524; 12109173; 15342347; 24892387; 24892710; 25621293; 26754267; 29225173; 49684259; 49693276; 49834502; 50036797; 51092061; 56459360; 76890969; 81044585; 85098495; 85165010; 85230757; 87565639; 88211484; 92297505; 93576752; 99246698; 99381411; 99453898; 103313321; 103823300; 104223697; 104311310; 117588066; 124558522; 125264648; 126523004; 126635400; 127303743; 127303744; 127303745; 127303746; 127303747; 127303748; 127303749 DR2080 DRUG__ID DR2080 DR2080 DRUGNAME D-glucosamine-phosphate DR2080 PUBCMCID 440997 DR2080 DFORMULA C6H14NO8P DR2080 INCHIKEY XHMJOUIAFHJHBW-IVMDWMLBSA-N DR2080 DRUINCHI 1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6?/m1/s1 DR2080 CASMILES C(C1C(C(C(C(O1)O)N)O)O)OP(=O)(O)O DR2080 CAS__NUM CAS 3616-42-0 DR2080 CHEBINUM 47987 DR2081 DRUG__ID DR2081 DR2081 DRUGNAME D-glucose DR2081 PUBCMCID 5793 DR2081 TTDRUGID D0C1FY DR2081 DFORMULA C6H12O6 DR2081 INCHIKEY WQZGKKKJIJFFOK-GASJEMHNSA-N DR2081 DRUINCHI 1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1 DR2081 CASMILES C(C1C(C(C(C(O1)O)O)O)O)O DR2081 CAS__NUM CAS 2280-44-6 DR2081 CHEBINUM 4167 DR2081 PUBCMSID 3333; 819111; 823016; 823057; 833240; 838951; 841535; 7847077; 8023353; 8153564; 14720288; 15120604; 15147309; 22387980; 22396026; 29218051; 29224827; 40439603; 48415870; 48416720; 56311091; 56311268; 56311363; 56311402; 56311555; 56311961; 56312072; 56314074; 56314202; 56314360; 56475096; 79376410; 85267087; 85301111; 87570266; 103825436; 104243011; 104310274; 117392201; 117689413; 126523020; 126678536; 127264014; 127264015; 127264016; 127264017; 127264018; 127264019; 127264020; 127264021 DR2082 DRUG__ID DR2082 DR2082 DRUGNAME D-glucose 1-phosphate DR2082 PUBCMCID 65533 DR2082 DFORMULA C6H13O9P DR2082 INCHIKEY HXXFSFRBOHSIMQ-VFUOTHLCSA-N DR2082 DRUINCHI 1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1 DR2082 CASMILES C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O DR2082 CAS__NUM CAS 59-56-3 DR2082 CHEBINUM 29042 DR2083 DRUG__ID DR2083 DR2083 DRUGNAME D-glucose 6-phosphate DR2083 PUBCMCID 439958 DR2083 DFORMULA C6H13O9P DR2083 INCHIKEY VFRROHXSMXFLSN-SLPGGIOYSA-N DR2083 DRUINCHI 1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1 DR2083 CASMILES C(C(C(C(C(C=O)O)O)O)O)OP(=O)(O)O DR2083 CAS__NUM CAS 56-73-5 DR2083 CHEBINUM 15954 DR2085 DRUG__ID DR2085 DR2085 DRUGNAME D-glyceraldehyde DR2085 PUBCMCID 79014 DR2085 DFORMULA C3H6O3 DR2085 INCHIKEY MNQZXJOMYWMBOU-VKHMYHEASA-N DR2085 DRUINCHI 1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1 DR2085 CASMILES C(C(C=O)O)O DR2085 CAS__NUM CAS 497-09-6 DR2085 CHEBINUM 17378 DR2086 DRUG__ID DR2086 DR2086 DRUGNAME Dihydroxyacetone DR2086 PUBCMCID 670 DR2086 TTDRUGID D09KDV DR2086 DFORMULA C3H6O3 DR2086 INCHIKEY RXKJFZQQPQGTFL-UHFFFAOYSA-N DR2086 DRUINCHI 1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2 DR2086 CASMILES OCC(=O)CO DR2086 CAS__NUM CAS 96-26-4 DR2086 CHEBINUM 16016 DR2089 DRUG__ID DR2089 DR2089 DRUGNAME D-mannose-1-phosphate DR2089 PUBCMCID 644175 DR2089 TTDRUGID D03AZI DR2089 DFORMULA C6H13O9P DR2089 INCHIKEY HXXFSFRBOHSIMQ-QTVWNMPRSA-N DR2089 DRUINCHI 1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6?/m1/s1 DR2089 CASMILES C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O DR2089 CAS__NUM CAS 27251-84-9 DR2089 CHEBINUM 35374 DR2089 PUBCMSID 841804; 8707300; 14717793; 16035443; 43765895; 46508602; 50578002; 57408217; 92298108; 109827701; 126525672; 135108938; 137129299; 160966030; 175443086; 226628685; 241047475; 247382093 DR2090 DRUG__ID DR2090 DR2090 DRUGNAME DMI-tetrakisphosphate DR2090 PUBCMCID 107758 DR2090 TTDRUGID D0MH9X DR2090 DFORMULA C6H16O18P4 DR2090 INCHIKEY CIPFCGZLFXVXBG-FTSGZOCFSA-N DR2090 DRUINCHI 1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3-,4+,5-,6-/m0/s1 DR2090 CASMILES C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O DR2090 CAS__NUM CAS 102850-29-3 DR2090 CHEBINUM 16783 DR2090 PUBCMSID 4491; 584396; 584572; 584600; 585446; 838953; 839161; 7885357; 7888486; 8008912; 8143650; 14835576; 32964168; 38671706; 38671709; 40649264; 44436721; 46391508; 46391593; 46391874; 46393436; 49703948; 57338232; 79216757; 96026283; 99213295; 103022979; 103191772; 103968715; 104379672; 123059826; 125333088; 126523777; 126700322; 127630553; 131271418; 134222888; 135066276; 144223702; 152137711; 160650399; 163821555; 178101888; 234796953; 250132925 DR2091 DRUG__ID DR2091 DR2091 DRUGNAME DMI-trisphosphate DR2091 PUBCMCID 439455 DR2091 DFORMULA C6H15O15P3 DR2091 INCHIKEY MMWCIQZXVOZEGG-MLQGYMEPSA-N DR2091 DRUINCHI 1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3+,4+,5+,6+/m1/s1 DR2091 CASMILES C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O DR2091 CAS__NUM CAS 98102-63-7 DR2091 CHEBINUM 18228 DR2092 DRUG__ID DR2092 DR2092 DRUGNAME DMI-bisphosphate DR2092 PUBCMCID 440211 DR2092 DFORMULA C6H14O12P2 DR2092 INCHIKEY MCKAJXMRULSUKI-CNWJWELYSA-N DR2092 DRUINCHI 1S/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5-,6-/m0/s1 DR2092 CASMILES C1(C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O DR2092 CAS__NUM CAS 69256-53-7 DR2092 CHEBINUM 28858 DR2093 DRUG__ID DR2093 DR2093 DRUGNAME D-xylulose DR2093 PUBCMCID 5289590 DR2093 DFORMULA C5H10O5 DR2093 INCHIKEY ZAQJHHRNXZUBTE-WUJLRWPWSA-N DR2093 DRUINCHI 1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5+/m1/s1 DR2093 CASMILES C(C(C(C(=O)CO)O)O)O DR2093 CAS__NUM CAS 551-84-8 DR2093 CHEBINUM 17140 DR2094 DRUG__ID DR2094 DR2094 DRUGNAME GDP-alpha-D-glucose DR2094 PUBCMCID 135398625 DR2094 DFORMULA C16H25N5O16P2 DR2094 INCHIKEY MVMSCBBUIHUTGJ-LRJDVEEWSA-N DR2094 DRUINCHI 1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5-,7-,8-,9+,10-,11-,14-,15-/m1/s1 DR2094 CASMILES C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O)N=C(NC2=O)N DR2094 CAS__NUM CAS 5750-57-2 DR2094 CHEBINUM 62254 DR2095 DRUG__ID DR2095 DR2095 DRUGNAME GDP-l-fucose DR2095 PUBCMCID 135412609 DR2095 DFORMULA C16H25N5O15P2 DR2095 INCHIKEY LQEBEXMHBLQMDB-QIXZNPMTSA-N DR2095 DRUINCHI 1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7+,8+,9+,10+,11-,14+,15?/m0/s1 DR2095 CASMILES CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C3N=C(NC4=O)N)O)O)O)O)O DR2095 CAS__NUM CAS 15839-70-0 DR2095 CHEBINUM 17009 DR2097 DRUG__ID DR2097 DR2097 DRUGNAME GDP-mannose DR2097 PUBCMCID 135398627 DR2097 DFORMULA C16H25N5O16P2 DR2097 INCHIKEY MVMSCBBUIHUTGJ-GDJBGNAASA-N DR2097 DRUINCHI 1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5-,7-,8-,9+,10-,11+,14-,15-/m1/s1 DR2097 CASMILES C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O)N=C(NC2=O)N DR2097 CAS__NUM CAS 3123-67-9 DR2097 CHEBINUM 15820 DR2098 DRUG__ID DR2098 DR2098 DRUGNAME Cholini alfosceras DR2098 PUBCMCID 657272 DR2098 DFORMULA C8H20NO6P DR2098 INCHIKEY SUHOQUVVVLNYQR-MRVPVSSYSA-N DR2098 DRUINCHI 1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m1/s1 DR2098 CASMILES C[N+](C)(C)CCOP(=O)([O-])OCC(CO)O DR2098 CAS__NUM CAS 28319-77-9 DR2098 CHEBINUM 16870 DR2099 DRUG__ID DR2099 DR2099 DRUGNAME Glyoxylate DR2099 PUBCMCID 3614358 DR2099 DFORMULA C2HO3- DR2099 INCHIKEY HHLFWLYXYJOTON-UHFFFAOYSA-M DR2099 DRUINCHI 1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)/p-1 DR2099 CASMILES C(=O)C(=O)[O-] DR2099 CAS__NUM CAS 298-12-4 DR2099 CHEBINUM 36655 DR2100 DRUG__ID DR2100 DR2100 DRUGNAME Guaiacol DR2100 PUBCMCID 460 DR2100 TTDRUGID D02JUW DR2100 DFORMULA C7H8O2 DR2100 INCHIKEY LHGVFZTZFXWLCP-UHFFFAOYSA-N DR2100 DRUINCHI 1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3 DR2100 CASMILES COC1=CC=CC=C1O DR2100 CAS__NUM CAS 90-05-1 DR2100 CHEBINUM 28591 DR2101 DRUG__ID DR2101 DR2101 DRUGNAME Inosine DR2101 PUBCMCID 135398641 DR2101 DFORMULA C10H12N4O5 DR2101 INCHIKEY UGQMRVRMYYASKQ-KQYNXXCUSA-N DR2101 DRUINCHI 1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1 DR2101 CASMILES C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O DR2101 CAS__NUM CAS 58-63-9 DR2101 CHEBINUM 17596 DR2102 DRUG__ID DR2102 DR2102 DRUGNAME Insulin DR2102 PUBCMCID 118984375 DR2102 TTDRUGID D0R6CD DR2102 DFORMULA C257H383N65O77S6 DR2102 INCHIKEY PBGKTOXHQIOBKM-FHFVDXKLSA-N DR2102 DRUINCHI 1S/C257H383N65O77S6/c1-29-131(23)205(313-193(339)104-259)252(393)317-204(130(21)22)248(389)288-159(75-82-200(349)350)217(358)282-156(71-78-189(263)335)221(362)308-183-116-403-404-117-184-243(384)305-178(111-324)240(381)294-162(88-123(7)8)225(366)295-168(95-140-53-61-146(329)62-54-140)228(369)283-154(69-76-187(261)333)218(359)290-161(87-122(5)6)223(364)285-158(74-81-199(347)348)220(361)302-174(101-190(264)336)235(376)298-170(97-142-57-65-148(331)66-58-142)231(372)309-182(242(383)304-176(255(396)397)103-192(266)338)115-402-401-114-181(214(355)273-107-194(340)278-153(72-79-197(343)344)216(357)281-151(51-42-84-271-257(267)268)212(353)272-108-195(341)279-166(93-138-46-36-32-37-47-138)227(368)297-167(94-139-48-38-33-39-49-139)230(371)299-171(98-143-59-67-149(332)68-60-143)238(379)320-208(135(27)327)254(395)322-85-43-52-186(322)246(387)286-152(50-40-41-83-258)222(363)321-209(136(28)328)256(398)399)311-250(391)203(129(19)20)316-236(377)164(90-125(11)12)292-229(370)169(96-141-55-63-147(330)64-56-141)296-224(365)160(86-121(3)4)289-210(351)133(25)277-215(356)157(73-80-198(345)346)287-247(388)202(128(17)18)315-237(378)165(91-126(13)14)293-233(374)173(100-145-106-270-120-276-145)301-239(380)177(110-323)280-196(342)109-274-213(354)180(113-400-405-118-185(310-244(183)385)245(386)319-207(134(26)326)253(394)306-179(112-325)241(382)318-206(132(24)30-2)251(392)312-184)307-226(367)163(89-124(9)10)291-232(373)172(99-144-105-269-119-275-144)300-219(360)155(70-77-188(262)334)284-234(375)175(102-191(265)337)303-249(390)201(127(15)16)314-211(352)150(260)92-137-44-34-31-35-45-137/h31-39,44-49,53-68,105-106,119-136,150-186,201-209,323-332H,29-30,40-43,50-52,69-104,107-118,258-260H2,1-28H3,(H2,261,333)(H2,262,334)(H2,263,335)(H2,264,336)(H2,265,337)(H2,266,338)(H,269,275)(H,270,276)(H,272,353)(H,273,355)(H,274,354)(H,277,356)(H,278,340)(H,279,341)(H,280,342)(H,281,357)(H,282,358)(H,283,369)(H,284,375)(H,285,364)(H,286,387)(H,287,388)(H,288,389)(H,289,351)(H,290,359)(H,291,373)(H,292,370)(H,293,374)(H,294,381)(H,295,366)(H,296,365)(H,297,368)(H,298,376)(H,299,371)(H,300,360)(H,301,380)(H,302,361)(H,303,390)(H,304,383)(H,305,384)(H,306,394)(H,307,367)(H,308,362)(H,309,372)(H,310,385)(H,311,391)(H,312,392)(H,313,339)(H,314,352)(H,315,378)(H,316,377)(H,317,393)(H,318,382)(H,319,386)(H,320,379)(H,321,363)(H,343,344)(H,345,346)(H,347,348)(H,349,350)(H,396,397)(H,398,399)(H4,267,268,271)/t131-,132-,133-,134+,135+,136+,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,201-,202-,203-,204-,205-,206-,207-,208-,209-/m0/s1 DR2102 CASMILES CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(CSSCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CO)CC(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)CC4=CC=C(C=C4)O)C(=O)NC(CC(=O)N)C(=O)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC5=CC=CC=C5)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(CC7=CC=C(C=C7)O)C(=O)NC(C(C)O)C(=O)N8CCCC8C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)O)C(C)C)CC(C)C)CC9=CC=C(C=C9)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)CC2=CNC=N2)CO)NC(=O)C(CC(C)C)NC(=O)C(CC2=CNC=N2)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=CC=C2)N)C(=O)NC(C(=O)NC(C(=O)N1)CO)C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)C)NC(=O)C(C(C)CC)NC(=O)CN DR2102 CAS__NUM CAS 11061-68-0 DR2103 DRUG__ID DR2103 DR2103 DRUGNAME L-arginine DR2103 PUBCMCID 6322 DR2103 TTDRUGID D0O3VV DR2103 DFORMULA C6H14N4O2 DR2103 INCHIKEY ODKSFYDXXFIFQN-BYPYZUCNSA-N DR2103 DRUINCHI 1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1 DR2103 CASMILES C(CC(C(=O)O)N)CN=C(N)N DR2103 CAS__NUM CAS 157-06-2 DR2103 CHEBINUM 16467 DR2103 PUBCMSID 3362; 653149; 819917; 819921; 826172; 830289; 832441; 3132036; 3727089; 6436672; 7980746; 8026405; 8144863; 10318557; 10322713; 10534673; 11110746; 11113629; 14715928; 14716352; 14716357; 14716362; 14716368; 14716374; 14716380; 14716386; 14716395; 14772629; 14772631; 17397138; 17404640; 22390401; 24278014; 24890870; 24891316; 24901894; 26703087; 26703289; 26705873; 26707942; 26713060; 26713062; 26718638; 26718983; 29203857; 29225313; 46392409; 46507180; 47291278; 49701063 DR2105 DRUG__ID DR2105 DR2105 DRUGNAME E-920 DR2105 PUBCMCID 5862 DR2105 TTDRUGID D0L4VI DR2105 DFORMULA C3H7NO2S DR2105 INCHIKEY XUJNEKJLAYXESH-REOHCLBHSA-N DR2105 DRUINCHI 1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 DR2105 CASMILES C(C(C(=O)O)N)S DR2105 CAS__NUM CAS 52-90-4 DR2105 CHEBINUM 17561 DR2105 PUBCMSID 3397; 589754; 598675; 827113; 827146; 832818; 836968; 841774; 3137136; 7847094; 7887450; 7979688; 8024049; 8144102; 8153622; 11528392; 14747569; 15119851; 17422135; 17422654; 24775649; 24850236; 24858110; 24892777; 24892959; 24901592; 26683853; 26683899; 26713527; 26717368; 29204003; 29224891; 46393167; 46393595; 46505080; 46505834; 46506553; 48415836; 49689765; 53788399; 56269947; 56310958; 56394816; 57323002; 57643975; 57648406; 57654965; 57655093; 75827435; 81049156 DR2107 DRUG__ID DR2107 DR2107 DRUGNAME GTPL-3312 DR2107 PUBCMCID 6106 DR2107 TTDRUGID D0W4MZ DR2107 DFORMULA C6H13NO2 DR2107 INCHIKEY ROHFNLRQFUQHCH-YFKPBYRVSA-N DR2107 DRUINCHI 1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1 DR2107 CASMILES CC(C)CC(C(=O)O)N DR2107 CAS__NUM CAS 328-38-1 DR2107 CHEBINUM 15603 DR2107 PUBCMSID 3423; 595259; 832925; 838753; 841561; 4253012; 6436525; 6436533; 6436536; 6436708; 7847098; 7888630; 8025197; 8143308; 8153821; 10317235; 10530134; 11459278; 11459418; 15146625; 15218991; 24874858; 24886442; 24896388; 24896488; 24896510; 24901619; 26651805; 29225114; 46391850; 46392412; 46393330; 46507163; 46507999;48416162; 49747925; 49835907; 49988821; 50108366; 57323191; 57581300; 57581304; 57651866; 57654329; 57654969; 57654972; 57654976; 80033595; 81044540; 81055047 DR2108 DRUG__ID DR2108 DR2108 DRUGNAME L-phenylalanine DR2108 PUBCMCID 6140 DR2108 TTDRUGID D0R1CR DR2108 DFORMULA C9H11NO2 DR2108 INCHIKEY COLNVLDHVKWLRT-QMMMGPOBSA-N DR2108 DRUINCHI 1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 DR2108 CASMILES C1=CC=C(C=C1)CC(C(=O)O)N DR2108 CAS__NUM CAS 63-91-2 DR2108 CHEBINUM 17295 DR2108 PUBCMSID 3379; 584667; 822460; 824902; 832928; 838754; 841094; 3134198; 4252550; 6436530; 7847089; 7889851; 8144203; 8153851; 10531434; 11457628; 11459655; 11528323; 11532528; 14710668; 15219430; 24770335; 24770338; 24770342; 24887247; 24898274; 24898657; 24898971; 24901797; 26651814; 26702643; 26748791; 26748792; 26753740; 29225143; 46391851; 46393329; 46505708; 50107465; 57323218; 57578102; 57652717; 57654567; 57655097; 78164833; 81044023; 81044025; 81044569; 81067307; 81067312 DR2110 DRUG__ID DR2110 DR2110 DRUGNAME M-7403 DR2110 PUBCMCID 6255 DR2110 TTDRUGID D04RYY DR2110 DFORMULA C12H22O11 DR2110 INCHIKEY GUBGYTABKSRVRQ-QUYVBRFLSA-N DR2110 DRUINCHI 1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1 DR2110 CASMILES C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O DR2110 CAS__NUM CAS 69-79-4 DR2110 CHEBINUM 18147 DR2110 PUBCMSID 69188; 5309774; 8137798; 8150555; 10506762; 10525406; 10528889; 10531314; 24438670; 24896492; 25628510; 26758438; 56369346;57320109; 75611597; 81041809; 92298619; 93619828; 99299403; 103141050; 104294418; 117392489; 123166382; 125352241; 125353973; 125538705; 125538708; 125538717; 126442223; 126677944; 128006270; 137128024; 140346486; 152036274; 163131145; 163688398; 164239796; 165753885; 176254632; 176254712; 176256903; 176270380; 176327673; 179225857; 184587974; 223678966; 226978293; 249935554; 252449941 DR2111 DRUG__ID DR2111 DR2111 DRUGNAME NA-alpha-D-glucosamine DR2111 PUBCMCID 82313 DR2111 DFORMULA C8H15NO6 DR2111 INCHIKEY OVRNDRQMDRJTHS-PVFLNQBWSA-N DR2111 DRUINCHI 1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m1/s1 DR2111 CASMILES CC(=O)NC1C(C(C(OC1O)CO)O)O DR2111 CAS__NUM CAS 10036-64-3 DR2111 CHEBINUM 44278 DR2112 DRUG__ID DR2112 DR2112 DRUGNAME NAG 1-phosphate DR2112 PUBCMCID 440272 DR2112 DFORMULA C8H16NO9P DR2112 INCHIKEY FZLJPEPAYPUMMR-RTRLPJTCSA-N DR2112 DRUINCHI 1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1 DR2112 CASMILES CC(=O)NC1C(C(C(OC1OP(=O)(O)O)CO)O)O DR2112 CAS__NUM CAS 6866-69-9 DR2112 CHEBINUM 7125 DR2113 DRUG__ID DR2113 DR2113 DRUGNAME NMN zwitterion DR2113 PUBCMCID 14180 DR2113 TTDRUGID D06NVJ DR2113 DFORMULA C11H15N2O8P DR2113 INCHIKEY DAYLJWODMCOQEW-TURQNECASA-N DR2113 DRUINCHI 1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/t7-,8-,9-,11-/m1/s1 DR2113 CASMILES C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)[O-])O)O)C(=O)N DR2113 CAS__NUM CAS 1094-61-7 DR2113 CHEBINUM 16171 DR2115 DRUG__ID DR2115 DR2115 DRUGNAME FT-0654944 DR2115 PUBCMCID 937 DR2115 TTDRUGID D0N0ES DR2115 DFORMULA C6H4NO2- DR2115 INCHIKEY PVNIIMVLHYAWGP-UHFFFAOYSA-M DR2115 DRUINCHI 1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/i1D,2D,3D,4D DR2115 CASMILES C1=CC(=CN=C1)C(=O)O DR2115 CAS__NUM CAS 59-67-6 DR2115 CHEBINUM 32544 DR2116 DRUG__ID DR2116 DR2116 DRUGNAME Nicotinate-MN DR2116 PUBCMCID 5288991 DR2116 TTDRUGID D0OP3Y DR2116 DFORMULA C11H14NO9P DR2116 INCHIKEY JOUIQRNQJGXQDC-ZYUZMQFOSA-N DR2116 DRUINCHI 1S/C11H14NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-4,7-10,13-14H,5H2,(H2-,15,16,17,18,19)/t7-,8-,9-,10-/m1/s1 DR2116 CASMILES C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)[O-])O)O)C(=O)O DR2116 CAS__NUM CAS 321-02-8 DR2116 PUBCMSID 7889321; 11041497; 51058706; 113873304; 241068675; 252355027 DR2117 DRUG__ID DR2117 DR2117 DRUGNAME Nitrite DR2117 PUBCMCID 946 DR2117 DFORMULA NO2- DR2117 INCHIKEY IOVCWXUNBOPUCH-UHFFFAOYSA-M DR2117 DRUINCHI 1S/HNO2/c2-1-3/h(H,2,3)/p-1 DR2117 CASMILES N(=O)[O-] DR2117 CAS__NUM CAS 14797-65-0 DR2117 CHEBINUM 16301 DR2118 DRUG__ID DR2118 DR2118 DRUGNAME Oxaloacetate DR2118 PUBCMCID 970 DR2118 TTDRUGID D0V0AI DR2118 DFORMULA C4H4O5 DR2118 INCHIKEY KHPXUQMNIQBQEV-UHFFFAOYSA-N DR2118 DRUINCHI 1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9) DR2118 CASMILES C(C(=O)C(=O)O)C(=O)O DR2118 CAS__NUM CAS 328-42-7 DR2118 CHEBINUM 30744 DR2118 PUBCMSID 3338; 118443; 583752; 583812; 824930; 825324; 827499; 835614; 841755; 3137159; 5571665; 8026470; 8150895; 10518772; 14719834; 15297251; 24398024; 24439327; 24897993; 24898047; 24898071; 26704029; 26704031; 26704037; 26704039; 26708897; 26709334; 26719105; 46394380; 48414838; 49748376; 50066357; 50091495; 53787483; 56437667; 57320629; 57410637; 76402907; 81040509; 81060164; 85088401; 85088402; 85267089; 85291449; 87574085; 88831403; 92298111; 104296390; 104670273; 117609703 DR2119 DRUG__ID DR2119 DR2119 DRUGNAME Phenylethanolamine DR2119 PUBCMCID 1000 DR2119 DFORMULA C8H11NO DR2119 INCHIKEY ULSIYEODSMZIPX-UHFFFAOYSA-N DR2119 DRUINCHI 1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2 DR2119 CASMILES C1=CC=C(C=C1)C(CN)O DR2119 CAS__NUM CAS 7568-93-6 DR2119 CHEBINUM 16343 DR2120 DRUG__ID DR2120 DR2120 DRUGNAME Phenylglyoxal DR2120 PUBCMCID 14090 DR2120 DFORMULA C8H6O2 DR2120 INCHIKEY OJUGVDODNPJEEC-UHFFFAOYSA-N DR2120 DRUINCHI 1S/C8H6O2/c9-6-8(10)7-4-2-1-3-5-7/h1-6H DR2120 CASMILES C1=CC=C(C=C1)C(=O)C=O DR2120 CAS__NUM CAS 1074-12-0 DR2120 CHEBINUM 88868 DR2121 DRUG__ID DR2121 DR2121 DRUGNAME Phosphate DR2121 PUBCMCID 1061 DR2121 TTDRUGID D08VYC DR2121 DFORMULA O4P-3 DR2121 INCHIKEY NBIIXXVUZAFLBC-UHFFFAOYSA-K DR2121 DRUINCHI 1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3 DR2121 CASMILES [O-]P(=O)([O-])[O-] DR2121 CAS__NUM CAS 14265-44-2 DR2121 CHEBINUM 18367 DR2121 PUBCMSID 3071; 840917; 841057; 7728230; 7889982; 8144764; 8150953; 14709385; 15218698; 24439414; 53787703; 56310835; 56311388; 57320705; 79295108; 103066731; 103077071; 104042950; 104075345; 104296651; 125331104; 125823182; 126524047; 134989311; 135292823; 137001640; 142051012; 152043015; 163304750; 175268694; 176264609; 176270178; 223741247 DR2122 DRUG__ID DR2122 DR2122 DRUGNAME Phosphatidylcholine DR2122 PUBCMCID 14389436 DR2122 DFORMULA C42H85NO8P+ DR2122 INCHIKEY PZNPLUBHRSSFHT-FAIXQHPJSA-O DR2122 DRUINCHI 1S/C42H84NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/p+1/t40-/m0/s1 DR2122 CASMILES CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C DR2123 DRUG__ID DR2123 DR2123 DRUGNAME Phosphoenolpyruvate DR2123 PUBCMCID 1005 DR2123 TTDRUGID D0T3AE DR2123 DFORMULA C3H5O6P DR2123 INCHIKEY DTBNBXWJWCWCIK-UHFFFAOYSA-N DR2123 DRUINCHI 1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8) DR2123 CASMILES C=C(C(=O)O)OP(=O)(O)O DR2123 CAS__NUM CAS 138-08-9 DR2123 CHEBINUM 44897 DR2123 PUBCMSID 3374; 583652; 584923; 820197; 820473; 827615; 828410; 828556; 828558; 828817; 854810; 4790277; 7889796; 8009228; 8009230; 8009232; 8013976; 8020252; 8020259; 8025541; 8150924; 11538112; 14772543; 24277639; 24439362; 24697526; 24697892; 24775896; 24874887; 26697124; 26717277; 26737585; 46392608; 46506098; 49681292; 49703243; 57320663; 57410861; 57578075; 57654765; 75356424; 81064563; 85164943; 85856284; 92298602; 99239587; 99239589; 104251378; 104296495; 124361194 DR2124 DRUG__ID DR2124 DR2124 DRUGNAME PNA-D-glucopyranoside DR2124 PUBCMCID 259380 DR2124 DFORMULA C12H15NO8 DR2124 INCHIKEY IFBHRQDFSNCLOZ-UHFFFAOYSA-N DR2124 DRUINCHI 1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2 DR2124 CASMILES C1=CC(=CC=C1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O DR2124 CAS__NUM CAS 3150-24-1 DR2125 DRUG__ID DR2125 DR2125 DRUGNAME S-MTC DR2125 PUBCMCID 107968 DR2125 DFORMULA C7H15N3O2S DR2125 INCHIKEY NGVMVBQRKZPFLB-YFKPBYRVSA-N DR2125 DRUINCHI 1S/C7H15N3O2S/c1-13-7(9)10-4-2-3-5(8)6(11)12/h5H,2-4,8H2,1H3,(H2,9,10)(H,11,12)/t5-/m0/s1 DR2125 CASMILES CSC(=NCCCC(C(=O)O)N)N DR2125 CAS__NUM CAS 156719-41-4 DR2125 CHEBINUM 90712 DR2127 DRUG__ID DR2127 DR2127 DRUGNAME Sulfate DR2127 PUBCMCID 1117 DR2127 TTDRUGID D03LWY DR2127 DFORMULA O4S-2 DR2127 INCHIKEY QAOWNCQODCNURD-UHFFFAOYSA-L DR2127 DRUINCHI 1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2 DR2127 CASMILES [O-]S(=O)(=O)[O-] DR2127 CAS__NUM CAS 14808-79-8 DR2127 CHEBINUM 16189 DR2128 DRUG__ID DR2128 DR2128 DRUGNAME KPS-0373 DR2128 PUBCMCID 638678 DR2128 TTDRUGID D08BTB DR2128 DFORMULA C16H22N6O4 DR2128 INCHIKEY XNSAINXGIQZQOO-SRVKXCTJSA-N DR2128 DRUINCHI 1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1 DR2128 CASMILES C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C3CCC(=O)N3)C(=O)N DR2128 CAS__NUM CAS 24305-27-9 DR2128 CHEBINUM 35940 DR2129 DRUG__ID DR2129 DR2129 DRUGNAME CI-909 DR2129 PUBCMCID 457954 DR2129 TTDRUGID D0S7DV DR2129 DFORMULA C9H12N2O5S DR2129 INCHIKEY FVRDYQYEVDDKCR-DBRKOABJSA-N DR2129 DRUINCHI 1S/C9H12N2O5S/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)/t4-,5-,6-,7-/m1/s1 DR2129 CASMILES C1=C(N=C(S1)C2C(C(C(O2)CO)O)O)C(=O)N DR2129 CAS__NUM CAS 60084-10-8 DR2129 CHEBINUM 90239 DR2129 PUBCMSID 606015; 10302570; 12012976; 14823734; 14872336; 24770760; 26737438; 47207788; 50051787; 57405484; 74610381; 103328095; 109722895; 127340579; 127340580; 127906342; 134222062; 134338637; 135006424; 137156918; 137242660; 140152998; 143013889; 160847159; 162224190; 163411145; 163849160; 164765593; 179117146; 198978476; 223558181; 225050731; 225380230; 226396315; 241109682; 249859445; 250214917; 252075587; 252423709; 252510318 DR2130 DRUG__ID DR2130 DR2130 DRUGNAME AK-41099 DR2130 PUBCMCID 440575 DR2130 DFORMULA C5H9NO3 DR2130 INCHIKEY BJBUEDPLEOHJGE-IMJSIDKUSA-N DR2130 DRUINCHI 1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1 DR2130 CASMILES C1CNC(C1O)C(=O)O DR2130 CAS__NUM CAS 4298-08-2 DR2130 CHEBINUM 16889 DR2132 DRUG__ID DR2132 DR2132 DRUGNAME UDP-galactose DR2132 PUBCMCID 18068 DR2132 TTDRUGID D0K7WW DR2132 DFORMULA C15H24N2O17P2 DR2132 INCHIKEY HSCJRCZFDFQWRP-ABVWGUQPSA-N DR2132 DRUINCHI 1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8+,9-,10+,11-,12-,13-,14-/m1/s1 DR2132 CASMILES C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O DR2132 CAS__NUM CAS 2956-16-3 DR2132 CHEBINUM 67119 DR2132 PUBCMSID 585432; 820510; 822374; 828118; 841579; 7887809; 8010104; 8163516; 10322886; 11532691; 16017796; 26702315; 29285756; 47169957; 50080759; 57329955; 77612459; 85198044; 85198047; 85856214; 85856216; 90344356; 99455629; 103516228; 104344147; 126523149; 134228784; 134356834; 134356838; 134356849; 134356851; 134419202; 134982455; 135651585; 137255161; 152186850; 152255822; 160645661; 160963343; 164161931; 164161944; 164194277; 223730435; 223730438; 227723596; 252452260; 252452263; 252452268 DR2133 DRUG__ID DR2133 DR2133 DRUGNAME UDP-glucose DR2133 PUBCMCID 8629 DR2133 TTDRUGID D07MIE DR2133 DFORMULA C15H24N2O17P2 DR2133 INCHIKEY HSCJRCZFDFQWRP-JZMIEXBBSA-N DR2133 DRUINCHI 1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1 DR2133 CASMILES C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O DR2133 CAS__NUM CAS 133-89-1 DR2133 CHEBINUM 46229 DR2133 PUBCMSID 3331; 822334; 822339; 822342; 822373; 822736; 823181; 825775; 825937; 826789; 826790; 828077; 828078; 831215; 832419; 833448; 838338; 841583; 855084; 855419; 855421; 7888026; 7891010; 8010109; 8015887; 8026467; 8156098; 11532689; 11538176; 14813015; 24277414; 26702312; 26707743; 26707752; 26707756; 26707760; 26712884; 26713096; 26737026; 26750306; 29227297; 49655449; 49655451; 50086969; 50092239; 57325140; 57581424; 74382948; 77612458; 85149417 DR2134 DRUG__ID DR2134 DR2134 DRUGNAME UDP-glucuronate DR2134 PUBCMCID 17473 DR2134 TTDRUGID D0O8AN DR2134 DFORMULA C15H22N2O18P2 DR2134 INCHIKEY HDYANYHVCAPMJV-LXQIFKJMSA-N DR2134 DRUINCHI 1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1 DR2134 CASMILES C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)C(=O)O)O)O)O)O)O DR2134 CAS__NUM CAS 2616-64-0 DR2134 CHEBINUM 17200 DR2134 PUBCMSID 3467; 837291; 841355; 6436278; 7890983; 8145724; 8163087; 15932622; 24902502; 29285212; 53776881; 53788522;57304739; 57329784; 78260467; 85165096; 103516229; 104342557; 125003537; 125003542; 125003544; 125267527; 126523689; 134981783; 135651587; 137244581; 160660760; 163727003; 198976871 DR2135 DRUG__ID DR2135 DR2135 DRUGNAME Uridine DR2135 PUBCMCID 6029 DR2135 TTDRUGID D0Y7DP DR2135 DFORMULA C9H12N2O6 DR2135 INCHIKEY DRTQHJPVMGBUCF-XVFCMESISA-N DR2135 DRUINCHI 1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1 DR2135 CASMILES C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O DR2135 CAS__NUM CAS 322-35-0 DR2135 CHEBINUM 16704 DR2135 PUBCMSID 3275; 3593; 584045; 825827; 3134852; 3718411; 7891023; 8139953; 8144667; 8153756; 12109174; 14710325; 14847540; 15221017; 24900434; 24900638; 24900640; 26702452; 26715956; 26754144; 29225043; 46167442; 46391419; 46504323; 48095962; 49833656; 50059626; 56459453; 57323128; 77021584; 81044517; 81092927; 85164984; 85230753; 87577750; 88835504; 92298506; 99226784; 99438033; 103313732; 103852268; 104310914; 117358157; 117613647; 118048883; 123059964; 124525105; 124799625; 124882993; 126523145 DR2136 DRUG__ID DR2136 DR2136 DRUGNAME Plazomicin DR2136 PUBCMCID 42613186 DR2136 TTDRUGID D0E6BB DR2136 DFORMULA C25H48N6O10 DR2136 INCHIKEY IYDYFVUFSPQPPV-PEXOCOHZSA-N DR2136 DRUINCHI 1S/C25H48N6O10/c1-25(37)11-38-24(18(35)21(25)29-2)41-20-15(31-22(36)16(33)5-6-26)9-14(28)19(17(20)34)40-23-13(27)4-3-12(39-23)10-30-7-8-32/h3,13-21,23-24,29-30,32-35,37H,4-11,26-28H2,1-2H3,(H,31,36)/t13-,14+,15-,16+,17+,18-,19-,20+,21-,23-,24-,25+/m1/s1 DR2136 CASMILES CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CNCCO)N)N)NC(=O)C(CCN)O)O DR2136 CAS__NUM CAS 1154757-24-0 DR2136 PUBCMSID 81048177; 86451581; 123055433; 124961265; 135268700; 135626869; 140707610; 198963178; 237063458; 248014262 DR2138 DRUG__ID DR2138 DR2138 DRUGNAME Avibactam DR2138 PUBCMCID 9835049 DR2138 DFORMULA C7H11N3O6S DR2138 INCHIKEY NDCUAPJVLWFHHB-UHNVWZDZSA-N DR2138 DRUINCHI 1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5+/m1/s1 DR2138 CASMILES C1CC(N2CC1N(C2=O)OS(=O)(=O)O)C(=O)N DR2138 CAS__NUM CAS 396731-14-9 DR2138 CHEBINUM 85984 DR2140 DRUG__ID DR2140 DR2140 DRUGNAME HY-N0040 DR2140 PUBCMCID 6917976 DR2140 DFORMULA C53H90O22 DR2140 INCHIKEY NODILNFGTFIURN-GZPRDHCNSA-N DR2140 DRUINCHI 1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-41(65)34(58)26(57)21-68-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-42(66)38(62)35(59)27(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3/t24-,25+,26-,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,50-,51+,52+,53-/m0/s1 DR2140 CASMILES CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)COC8C(C(C(CO8)O)O)O)O)O)O)C DR2140 CAS__NUM CAS 11021-13-9 DR2140 CHEBINUM 77152 DR2142 DRUG__ID DR2142 DR2142 DRUGNAME Daptomycin DR2142 PUBCMCID 16134395 DR2142 DFORMULA C72H101N17O26 DR2142 INCHIKEY DOAKLVKFURWEDJ-RWDRXURGSA-N DR2142 DRUINCHI 1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(108)84-45(27-52(75)92)67(109)86-48(30-59(102)103)68(110)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19-41(40)74)87-71(113)60(35(2)24-56(96)97)88-69(111)50(34-90)82-55(95)32-77-63(105)46(28-57(98)99)83-62(104)36(3)79-65(107)47(29-58(100)101)85-64(106)43(21-16-23-73)80-54(94)33-78-70(61)112/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,105)(H,78,112)(H,79,107)(H,80,94)(H,81,93)(H,82,95)(H,83,104)(H,84,108)(H,85,106)(H,86,109)(H,87,113)(H,88,111)(H,89,110)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t35-,36-,37-,43+,44+,45+,46+,47+,48+,49+,50-,60+,61+/m1/s1 DR2142 CASMILES CCCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC3C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)C(C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C DR2142 CAS__NUM CAS 103060-53-3 DR2142 CHEBINUM 600103 DR2143 DRUG__ID DR2143 DR2143 DRUGNAME L-histidine DR2143 PUBCMCID 6274 DR2143 TTDRUGID D0T6UL DR2143 DFORMULA C6H9N3O2 DR2143 INCHIKEY HNDVDQJCIGZPNO-YFKPBYRVSA-N DR2143 DRUINCHI 1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1 DR2143 CASMILES C1=C(NC=N1)CC(C(=O)O)N DR2143 CAS__NUM CAS 71-00-1 DR2143 CHEBINUM 15971 DR2143 PUBCMSID 3435; 587554; 609693; 824156; 3136567; 7847100; 8145060; 8153954; 10533543; 11108714; 11111281; 14716013; 15170951;15321675; 15321676; 24877543; 24895605; 24895728; 24895816; 26702395; 26706813; 26706844; 26707943; 26713139; 29225269; 46392155; 46392410; 46507001; 47960030; 48416085; 49747685; 49856391; 50111080;53787754; 56269952; 57323310; 57651378; 57654248; 75529724; 81044555; 81067341; 83549210; 85164887; 87235989; 87570592; 88835368; 90340851; 92297850; 99224367; 99452993 DR2144 DRUG__ID DR2144 DR2144 DRUGNAME Flavone DR2144 PUBCMCID 10680 DR2144 TTDRUGID D0S0RK DR2144 DFORMULA C15H10O2 DR2144 INCHIKEY VHBFFQKBGNRLFZ-UHFFFAOYSA-N DR2144 DRUINCHI 1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H DR2144 CASMILES C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2 DR2144 CAS__NUM CAS 525-82-6 DR2144 CHEBINUM 42491 DR2144 PUBCMSID 12229; 81975; 589074; 621065; 894248; 3133268; 5422192; 8138030; 8157719; 10322913; 10525272; 11145517; 11352088; 11393367; 14797981; 17137132; 17389570; 17396599; 24870087; 24894806; 26697253; 26752852; 29204142; 29229149; 30279698; 32626201; 46493766; 47515677; 47960105; 48185348; 48415240; 48421829; 48425145; 49737809; 49747452; 49889785; 50113345; 51075505; 53790304; 56462798; 57326386; 57393442; 57654180; 57807511; 79531197; 85086078; 85209887; 85293760; 85843922; 87569829 DR2145 DRUG__ID DR2145 DR2145 DRUGNAME Fructose 6-phosphate DR2145 PUBCMCID 69507 DR2145 TTDRUGID D0H3IJ DR2145 DFORMULA C6H13O9P DR2145 INCHIKEY GSXOAOHZAIYLCY-HSUXUTPPSA-N DR2145 DRUINCHI 1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m1/s1 DR2145 CASMILES C(C(C(C(C(=O)CO)O)O)O)OP(=O)(O)O DR2145 CAS__NUM CAS 643-13-0 DR2145 CHEBINUM 15946 DR2145 PUBCMSID 841537; 855114; 7887397; 7887546; 8145072; 8192994; 26737151; 43125971; 55161557; 56401857; 57317420; 75723126; 92297569; 103823557; 104345110; 117392205; 125001819; 125333318; 126523022; 127335746; 127335747; 127335748; 127335749; 135026903; 135072635; 135653532; 137105997; 144223749; 162162882; 162895730; 163686520; 196679219; 198954512; 223637041; 223738639; 226399475; 249541529; 252400783 DR2146 DRUG__ID DR2146 DR2146 DRUGNAME Mannose DR2146 PUBCMCID 18950 DR2146 TTDRUGID D0GS9E DR2146 DFORMULA C6H12O6 DR2146 INCHIKEY WQZGKKKJIJFFOK-QTVWNMPRSA-N DR2146 DRUINCHI 1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1 DR2146 CASMILES C(C1C(C(C(C(O1)O)O)O)O)O DR2146 CAS__NUM CAS 530-26-7 DR2146 CHEBINUM 4208 DR2146 PUBCMSID 3459; 824810; 838927; 3135279; 8027205; 8164149; 14720290; 15066909; 15322061; 22396012; 24277482; 24882738; 24882739; 24896601; 24897068; 26737907; 29217866; 29286577; 53788969; 56311267; 56320690; 56323500; 56475044; 57330235; 57651949; 79376412; 85164870; 87572161; 91700886; 92298697; 92710545; 93375117; 103583168; 104346557; 124801461; 125310805; 126523054; 126631771; 127844171; 129621449; 131317572; 131465283; 134228441; 134228449; 134958993; 134984714; 134999617; 135136220; 137002180; 139416018 DR2147 DRUG__ID DR2147 DR2147 DRUGNAME Pentamycin DR2147 PUBCMCID 5282200 DR2147 DFORMULA C35H58O12 DR2147 INCHIKEY AGJUUQSLGVCRQA-SWOUQTJZSA-N DR2147 DRUINCHI 1S/C35H58O12/c1-4-5-11-16-29(41)32-30(42)20-26(38)18-24(36)17-25(37)19-27(39)21-31(43)34(45)33(44)22(2)14-12-9-7-6-8-10-13-15-28(40)23(3)47-35(32)46/h6-10,12-15,23-34,36-45H,4-5,11,16-21H2,1-3H3/b7-6+,10-8+,12-9+,15-13+,22-14+/t23-,24+,25-,26+,27-,28+,29-,30+,31-,32-,33-,34-/m1/s1 DR2147 CASMILES CCCCCC(C1C(CC(CC(CC(CC(CC(C(C(C(=CC=CC=CC=CC=CC(C(OC1=O)C)O)C)O)O)O)O)O)O)O)O)O DR2147 CAS__NUM CAS 6834-98-6 DR2147 CHEBINUM 31639 DR2148 DRUG__ID DR2148 DR2148 DRUGNAME Hydroxydaidzein DR2148 PUBCMCID 5466139 DR2148 TTDRUGID D09FDZ DR2148 DFORMULA C15H10O5 DR2148 INCHIKEY BMZFZTMWBCFKSS-UHFFFAOYSA-N DR2148 DRUINCHI 1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,16-17,19H DR2148 CASMILES C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3O)O)O DR2148 CAS__NUM CAS 75187-63-2 DR2149 DRUG__ID DR2149 DR2149 DRUGNAME BRN-0075455 DR2149 PUBCMCID 5280805 DR2149 TTDRUGID D09ALJ DR2149 DFORMULA C27H30O16 DR2149 INCHIKEY IKGXIBQEEMLURG-NVPNHPEKSA-N DR2149 DRUINCHI 1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 DR2149 CASMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O DR2149 CAS__NUM CAS 153-18-4 DR2149 CHEBINUM 28527 DR2149 PUBCMSID 7941; 583769; 597190; 7890342; 8149167; 8616403; 11335819; 11361058; 11462030; 12015663; 14789521; 14936333; 24775672; 26719694; 29204545; 29216321; 39289828; 46386546; 47365182; 47588990; 47885411; 48414436; 48421832; 49681540; 50077472; 50077674; 50696375; 53789070; 57357881; 57394649; 85842433; 87575608; 88783231; 92297747; 92308256; 93165829; 93167038; 95154018; 96025184; 99301732; 103516775; 104091802; 104253605; 113854033; 124658987; 124757744; 124892311; 125164548; 126524764; 126688137 DR2150 DRUG__ID DR2150 DR2150 DRUGNAME Sialic acid DR2150 PUBCMCID 906 DR2150 DFORMULA C11H19NO9 DR2150 INCHIKEY SQVRNKJHWKZAKO-UHFFFAOYSA-N DR2150 DRUINCHI 1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19) DR2150 CASMILES CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O DR2150 CAS__NUM CAS 489-46-3 DR2151 DRUG__ID DR2151 DR2151 DRUGNAME Sucrose DR2151 PUBCMCID 5988 DR2151 TTDRUGID D08TCV DR2151 DFORMULA C12H22O11 DR2151 INCHIKEY CZMRCDWAGMRECN-UGDNZRGBSA-N DR2151 DRUINCHI 1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 DR2151 CASMILES C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O DR2151 CAS__NUM CAS 57-50-1 DR2151 CHEBINUM 17992 DR2151 PUBCMSID 3194; 3389; 818878; 820865; 823014; 823458; 823537; 825314; 825582; 825586; 826415; 826659; 826950; 826952; 826953; 827036; 828601; 828646; 829805; 831374; 832319; 832408; 833228; 833813; 838627; 839070; 839082; 839090; 841538; 854919; 855298; 855299; 855300; 3137376; 6436115; 6436116; 6436204; 7847093; 7887852; 7890628; 8011621; 8011923; 8020622; 8022577; 8024860; 8024864; 8027366; 8028161; 8143928; 8153723 DR2152 DRUG__ID DR2152 DR2152 DRUGNAME Xylose DR2152 PUBCMCID 135191 DR2152 TTDRUGID D07HZY DR2152 DFORMULA C5H10O5 DR2152 INCHIKEY SRBFZHDQGSBBOR-IOVATXLUSA-N DR2152 DRUINCHI 1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5?/m1/s1 DR2152 CASMILES C1C(C(C(C(O1)O)O)O)O DR2152 CAS__NUM CAS 50855-32-8 DR2152 CHEBINUM 53455 DR2153 DRUG__ID DR2153 DR2153 DRUGNAME Phloroglucinol DR2153 PUBCMCID 359 DR2153 TTDRUGID D07EXH DR2153 DFORMULA C6H6O3 DR2153 INCHIKEY QCDYQQDYXPDABM-UHFFFAOYSA-N DR2153 DRUINCHI 1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H DR2153 CASMILES C1=C(C=C(C=C1O)O)O DR2153 CAS__NUM CAS 108-73-6 DR2153 CHEBINUM 16204 DR2154 DRUG__ID DR2154 DR2154 DRUGNAME RTR-001007 DR2154 PUBCMCID 5281787 DR2154 TTDRUGID D06YGF DR2154 DFORMULA C17H16O4 DR2154 INCHIKEY SWUARLUWKZWEBQ-VQHVLOKHSA-N DR2154 DRUINCHI 1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+ DR2154 CASMILES C1=CC=C(C=C1)CCOC(=O)C=CC2=CC(=C(C=C2)O)O DR2154 CAS__NUM CAS 104594-70-9 DR2154 CHEBINUM 8062 DR2154 PUBCMSID 12667; 612314; 8616777; 12015124; 12016057; 14848879; 17404832; 24278341; 26612332; 26680006; 26747475; 26747476; 26753537; 26758378; 39315396; 46500450; 47274169; 47498112; 47498113; 47572002; 47572003; 49747045; 50024592; 50106023; 50106024; 50106025; 50106026; 50106027; 53777375; 53789035; 57358384; 76101379; 80954258; 85787755; 85789112; 85789433; 90341501; 91010615; 92303625; 92309976; 93576740; 93617082; 99300888; 99302408; 103323115; 103938278; 113855929; 118842495; 121360924; 124637378 DR2156 DRUG__ID DR2156 DR2156 DRUGNAME D-fructose DR2156 PUBCMCID 2723872 DR2156 DFORMULA C6H12O6 DR2156 INCHIKEY LKDRXBCSQODPBY-VRPWFDPXSA-N DR2156 DRUINCHI 1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m1/s1 DR2156 CASMILES C1C(C(C(C(O1)(CO)O)O)O)O DR2156 CAS__NUM CAS 7660-25-5 DR2156 CHEBINUM 37714 DR2158 DRUG__ID DR2158 DR2158 DRUGNAME Neomycin DR2158 PUBCMCID 8378 DR2158 TTDRUGID D05JNI DR2158 DFORMULA C23H46N6O13 DR2158 INCHIKEY PGBHMTALBVVCIT-VCIWKGPPSA-N DR2158 DRUINCHI 1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1 DR2158 CASMILES C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N DR2158 CAS__NUM CAS 119-04-0 DR2158 CHEBINUM 7508 DR2158 PUBCMSID 4872; 600744; 7886109; 7886110; 7889440; 8027095; 8155893; 11108087; 14789604; 16359677; 17398248; 24886366; 24897464; 26705169; 26713687; 26715354; 29227077; 46505525; 46508892; 47589231; 48185242; 48259497; 48416318; 48498331; 49699023; 49703385; 49997098; 49997102; 50124333; 53788467; 80496344; 85164700; 92308991; 104317690; 123097006; 124576752; 124766144; 126666617; 127317005; 127317006; 127317007; 127317008; 127317009; 127317010; 127317011; 127317012; 127317013; 127317014; 127317015; 127317016 DR2159 DRUG__ID DR2159 DR2159 DRUGNAME AS-35335 DR2159 PUBCMCID 5280804 DR2159 TTDRUGID D04PBH DR2159 DFORMULA C21H20O12 DR2159 INCHIKEY OVSQVDMCBVZWGM-QSOFNFLRSA-N DR2159 DRUINCHI 1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1 DR2159 CASMILES C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O DR2159 CAS__NUM CAS 482-35-9 DR2159 CHEBINUM 68352 DR2160 DRUG__ID DR2160 DR2160 DRUGNAME Inositol DR2160 PUBCMCID 892 DR2160 TTDRUGID D03SHD DR2160 DFORMULA C6H12O6 DR2160 INCHIKEY CDAISMWEOUEBRE-UHFFFAOYSA-N DR2160 DRUINCHI 1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H DR2160 CASMILES C1(C(C(C(C(C1O)O)O)O)O)O DR2160 CAS__NUM CAS 173524-45-3 DR2160 CHEBINUM 17268 DR2160 PUBCMSID 2958; 3437; 8408; 8409; 73813; 86405; 99187; 105284; 105285; 105291; 405648; 419053; 474354; 594439; 594440; 606061; 820280; 822652; 841533; 3133547; 3155010; 3155011; 6332601; 7888419; 8137917; 8138252; 8138293; 8138294; 8141702; 8145718; 8146839; 8146881; 8150849; 10523934; 10523935; 10523936; 10531552; 10537350; 10548140; 11364489; 11367051; 11369613; 11371925; 11375023; 11377775; 11446130; 11455636; 11490868; 11493007; 11495409 DR2161 DRUG__ID DR2161 DR2161 DRUGNAME Unifac-6550 DR2161 PUBCMCID 5280450 DR2161 TTDRUGID D03LOG DR2161 DFORMULA C18H32O2 DR2161 INCHIKEY OYHQOLUKZRVURQ-HZJYTTRNSA-N DR2161 DRUINCHI 1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9- DR2161 CASMILES CCCCCC=CCC=CCCCCCCCC(=O)O DR2161 CAS__NUM CAS 60-33-3 DR2161 CHEBINUM 17351 DR2161 PUBCMSID 4750; 143213; 647847; 3139101; 7849987; 7887298; 8145523; 8616276; 10529224; 14897568; 17388946; 24882204; 24882205; 24896270; 24896275; 24896279; 24901678; 26752886; 26752887; 26752888; 26759057; 29196027; 29204334; 39289571; 47290906; 47662025; 48110221; 48416742; 48423611; 48425246; 49846046; 49854479; 50073971; 50105507; 50105508; 51004445; 53790748; 56312731; 57357741; 57651878; 85787692; 87572020; 87572080; 88831443; 92298594; 92309790; 99300704; 99302222; 103167732; 104046536 DR2164 DRUG__ID DR2164 DR2164 DRUGNAME Penicillin G DR2164 PUBCMCID 5904 DR2164 TTDRUGID D00QAR DR2164 DFORMULA C16H18N2O4S DR2164 INCHIKEY JGSARLDLIJGVTE-MBNYWOFBSA-N DR2164 DRUINCHI 1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 DR2164 CASMILES CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C DR2164 CAS__NUM CAS 1110-47-0 DR2164 CHEBINUM 18208 DR2164 PUBCMSID 7885; 617709; 820202; 841337; 7849395; 7889969; 7980271; 8144852; 8153657; 11335491; 11360730; 11363827; 11366389; 11368951; 11371783; 11374081; 11377113; 11461702; 11467106; 11468226; 11484211; 11486734; 11488334; 11490358; 11492286; 11494747; 14875396; 15348041; 26711903; 29215263; 29224931; 46506778; 47291043; 47365102; 47588906; 47736376; 48035012; 48184904; 48184905; 49647119; 50050765; 53787815; 57323037; 57588014; 79379468; 81066337; 81093162; 85244562; 85788897; 85789209 DR2165 DRUG__ID DR2165 DR2165 DRUGNAME GW9662 DR2165 PUBCMCID 644213 DR2165 TTDRUGID D00ACX DR2165 DFORMULA C13H9ClN2O3 DR2165 INCHIKEY DNTSIBUQMRRYIU-UHFFFAOYSA-N DR2165 DRUINCHI 1S/C13H9ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17) DR2165 CASMILES C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl DR2165 CAS__NUM CAS 22978-25-2 DR2165 CHEBINUM 79993 DR2165 PUBCMSID 841875; 877487; 6873016; 8707317; 11111477; 11114114; 11121686; 11122166; 11362775; 11365337; 11367899; 11370801; 11370802; 11373500; 11376061; 14824325; 17396617; 17405359; 22395870; 24278560; 24883187; 26732595; 26752209; 26752210; 26752211; 26758841; 43765920; 47719268; 47793670; 47942452; 47942453; 48392499; 50104878; 50104879; 50104880; 53777904; 53790960; 53800743; 56355093; 57408227; 77530674; 85202868; 85231138; 85787762; 88369062; 90341221; 92304217; 92310037; 99300949; 99302469 DR2167 DRUG__ID DR2167 DR2167 DRUGNAME Amikacin DR2167 PUBCMCID 37768 DR2167 TTDRUGID D0Y3MO DR2167 DFORMULA C22H43N5O13 DR2167 INCHIKEY LKCWBDHBTVXHDL-RMDFUYIESA-N DR2167 DRUINCHI 1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1 DR2167 CASMILES C1C(C(C(C(C1NC(=O)C(CCN)O)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CN)O)O)O)N DR2167 CAS__NUM CAS 37517-28-5 DR2167 CHEBINUM 2637 DR2167 PUBCMSID 9038; 602892; 7978685; 8140488; 8175188; 11533325; 14886882; 17396714; 26057066; 29215141; 34679028; 46506386; 47734200; 47734201; 48182834; 48415546; 49699077; 50047827; 50105695; 56314316; 57312091; 57691603; 79044930; 96099940; 104234226; 104327437; 117570306; 123080686; 124766001; 125263960; 127284329; 127284330; 127284331; 127284332; 131665903; 134337696; 134999046; 135988791; 137003403; 144204752; 160963825; 162177716; 164806376; 166265868; 170465345; 175268115; 176267073; 177013106; 179150401; 210279669 DR2170 DRUG__ID DR2170 DR2170 DRUGNAME Vancomycin DR2170 PUBCMCID 14969 DR2170 DFORMULA C66H75Cl2N9O24 DR2170 INCHIKEY MYPYJXKWCTUITO-LYRMYLQWSA-N DR2170 DRUINCHI 1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1 DR2170 CASMILES CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C(C(=O)NC(C(=O)NC5C(=O)NC7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)C(CC(C)C)NC)O)Cl)CO)O)O)(C)N)O DR2170 CAS__NUM CAS 1404-90-6 DR2170 CHEBINUM 28001 DR2172 DRUG__ID DR2172 DR2172 DRUGNAME Ursodeoxycholic acid DR2172 PUBCMCID 31401 DR2172 TTDRUGID D0G3SH DR2172 DFORMULA C24H40O4 DR2172 INCHIKEY RUDATBOHQWOJDD-UZVSRGJWSA-N DR2172 DRUINCHI 1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1 DR2172 CASMILES CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C DR2172 CAS__NUM CAS 128-13-2 DR2172 CHEBINUM 9907 DR2172 PUBCMSID 10082; 822713; 3138790; 7847799; 7850921; 7888488; 7980868; 8172159; 11433256; 11466986; 11468106; 11486841; 11532904; 14718187; 14756614; 14780856; 24900651; 29204656; 34673541; 46508795; 47193720; 47217051; 47515582; 47885649; 48110725; 48185236; 48416690; 49699224; 49748670; 49902961; 50124074; 53788379; 57311214; 78337565; 87577760; 92125922; 92717068; 99431529; 102851587; 103578669; 103913836; 104169985; 104253279; 104310778; 121362367; 121363593; 124757400; 124800594; 125085062; 125164204 DR2174 DRUG__ID DR2174 DR2174 DRUGNAME Gentamicin DR2174 PUBCMCID 3467 DR2174 TTDRUGID D0L9UU DR2174 DFORMULA C21H43N5O7 DR2174 INCHIKEY CEAZRRDELHUEMR-UHFFFAOYSA-N DR2174 DRUINCHI 1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3 DR2174 CASMILES CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)NC DR2174 CAS__NUM CAS 1403-66-3 DR2174 CHEBINUM 17833 DR2174 PUBCMSID 4652583; 8152203; 29222600; 46506523; 49972189; 53787495; 57321817; 74460187; 92712501; 96024706; 103135455; 104303599; 117535962; 124766025; 126407615; 126625531; 126661266; 126691181; 127340104; 127340105; 127340106; 134337440; 134980500; 135650301; 137239444; 142147875; 152100630; 160964140; 196105377; 223658860;226847630; 242084438; 246167234; 250134950 DR2175 DRUG__ID DR2175 DR2175 DRUGNAME Kanamycin DR2175 PUBCMCID 6032 DR2175 DFORMULA C18H36N4O11 DR2175 INCHIKEY SBUJHOSQTJFQJX-NOAMYHISSA-N DR2175 DRUINCHI 1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1 DR2175 CASMILES C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O)N DR2175 CAS__NUM CAS 59-01-8 DR2175 CHEBINUM 17630 DR2177 DRUG__ID DR2177 DR2177 DRUGNAME Ampicillin DR2177 PUBCMCID 6249 DR2177 TTDRUGID D0YA9Z DR2177 DFORMULA C16H19N3O4S DR2177 INCHIKEY AVKUERGKIZMTKX-NJBDSQKTSA-N DR2177 DRUINCHI 1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1 DR2177 CASMILES CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C DR2177 CAS__NUM CAS 69-53-4 DR2177 CHEBINUM 28971 DR2177 PUBCMSID 8803; 612819; 855874; 7847272; 7978702; 8153929; 11335641; 11360880; 11362844; 11365406; 11367968; 11371462; 11373737; 11376130; 11461852; 11466142; 11467262; 11484554; 11485803; 11488585; 11490117; 11491964; 11493864; 14802821; 14827659; 24891442; 26706523; 29215015; 29225245; 46392100; 46484751; 46505346; 47291088; 47440199; 47810705; 47885360; 47959687; 48035057; 48035058; 48184948; 48415562; 49698352; 49855717; 50064028; 50104132; 50930328; 53789146; 53801116; 56312591; 56314308 DR2178 DRUG__ID DR2178 DR2178 DRUGNAME Cephalothin DR2178 PUBCMCID 6024 DR2178 TTDRUGID D01PLN DR2178 DFORMULA C16H16N2O6S2 DR2178 INCHIKEY XIURVHNZVLADCM-IUODEOHRSA-N DR2178 DRUINCHI 1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1 DR2178 CASMILES CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O DR2178 CAS__NUM CAS 153-61-7 DR2178 CHEBINUM 50895 DR2178 PUBCMSID 9963; 602881; 824703; 7886646; 7978894; 8153752; 11335272; 11360511; 11362964; 11365526; 11368088; 11371283; 11373877;11376250; 11461483; 11466747; 11467867; 11483898; 11486594; 11487937; 11490148; 11492084; 11493924; 14781066; 16794138; 29215241; 29225038; 46509079; 47193756; 47588840; 47662113; 47736307; 47810601;47885259; 48110301; 48334326; 48334327; 48415743; 50050997; 50716459; 51091939; 57323124; 81093187; 84981763; 85788476; 87322650; 103186843; 104097230; 104310899; 124766006 DR2179 DRUG__ID DR2179 DR2179 DRUGNAME Nitrobenzodiazepine DR2179 PUBCMCID 25022001 DR2179 DFORMULA C9H7N3O2 DR2179 INCHIKEY VMGLACFXZWXTMP-UHFFFAOYSA-N DR2179 DRUINCHI 1S/C9H7N3O2/c13-12(14)9-6-5-7-3-1-2-4-8(7)10-11-9/h1-6,10H DR2179 CASMILES C1=CC=C2C(=C1)C=CC(=NN2)[N+](=O)[O-] DR2180 DRUG__ID DR2180 DR2180 DRUGNAME SN-38G DR2180 PUBCMCID 443154 DR2180 DFORMULA C28H28N2O11 DR2180 INCHIKEY SSJQVDUAKDRWTA-CAYKMONMSA-N DR2180 DRUINCHI 1S/C28H28N2O11/c1-3-12-13-7-11(40-26-22(33)20(31)21(32)23(41-26)25(35)36)5-6-17(13)29-19-14(12)9-30-18(19)8-16-15(24(30)34)10-39-27(37)28(16,38)4-2/h5-8,20-23,26,31-33,38H,3-4,9-10H2,1-2H3,(H,35,36)/t20-,21-,22+,23-,26+,28-/m0/s1 DR2180 CASMILES CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)OC6C(C(C(C(O6)C(=O)O)O)O)O DR2180 CAS__NUM CAS 121080-63-5 DR2180 CHEBINUM 8990 DR2185 DRUG__ID DR2185 DR2185 DRUGNAME Misonidazole DR2185 PUBCMCID 26105 DR2185 DFORMULA C7H11N3O4 DR2185 INCHIKEY OBBCSXFCDPPXOL-UHFFFAOYSA-N DR2185 DRUINCHI 1S/C7H11N3O4/c1-14-5-6(11)4-9-3-2-8-7(9)10(12)13/h2-3,6,11H,4-5H2,1H3 DR2185 CASMILES COCC(CN1C=CN=C1[N+](=O)[O-])O DR2185 CAS__NUM CAS 13551-87-6 DR2187 DRUG__ID DR2187 DR2187 DRUGNAME Nizatidine DR2187 PUBCMCID 3033637 DR2187 TTDRUGID D0Q9DK DR2187 DFORMULA C12H21N5O2S2 DR2187 INCHIKEY SGXXNSQHWDMGGP-IZZDOVSWSA-N DR2187 DRUINCHI 1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3/b11-6+ DR2187 CASMILES CNC(=C[N+](=O)[O-])NCCSCC1=CSC(=N1)CN(C)C DR2187 CAS__NUM CAS 76963-41-2 DR2187 CHEBINUM 7601 DR2187 PUBCMSID 9479; 7847506; 7980136; 10047729; 11112849; 12012865; 14801956; 26719892; 36077514; 46386765; 46507554; 48395159; 48416335; 49648463; 49968698; 57352747; 80039644; 85175204; 85209480; 92308159; 92308434; 92711372; 93166919; 103091650; 103157346; 103189241; 111634652; 117377111; 117480196; 119526527; 124658842; 124801333; 124882685; 126630925; 131269073; 131326051; 134337651; 135011516; 135692320; 137005454; 142971063; 144075999; 144089140; 152040062; 160963930; 172080209; 177748315; 178103822; 179116550; 179148990 DR2188 DRUG__ID DR2188 DR2188 DRUGNAME BRN-0064479 DR2188 PUBCMCID 5281377 DR2188 DFORMULA C21H20O10 DR2188 INCHIKEY ZCOLJUOHXJRHDI-CMWLGVBASA-N DR2188 DRUINCHI 1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1 DR2188 CASMILES C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O DR2188 CAS__NUM CAS 529-59-9 DR2188 CHEBINUM 27514 DR2192 DRUG__ID DR2192 DR2192 DRUGNAME Dithiazoline DR2192 PUBCMCID 17990703 DR2192 DFORMULA C2H3NS2 DR2192 INCHIKEY WPEVFLXBCFUSFF-UHFFFAOYSA-N DR2192 DRUINCHI 1S/C2H3NS2/c1-2-4-5-3-1/h1H,2H2 DR2192 CASMILES C1C=NSS1 DR2192 CAS__NUM CAS 504-79-0 DR2201 DRUG__ID DR2201 DR2201 DRUGNAME Pyrocatechol DR2201 PUBCMCID 289 DR2201 TTDRUGID D07QJJ DR2201 DFORMULA C6H6O2 DR2201 INCHIKEY YCIMNLLNPGFGHC-UHFFFAOYSA-N DR2201 DRUINCHI 1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m1/s1 DR2201 CASMILES C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O DR2201 CAS__NUM CAS 120-80-9 DR2201 CHEBINUM 18135 DR2205 DRUG__ID DR2205 DR2205 DRUGNAME Quinone DR2205 PUBCMCID 4650 DR2205 TTDRUGID D0M2EM DR2205 DFORMULA C6H4O2 DR2205 INCHIKEY AZQWKYJCGOJGHM-UHFFFAOYSA-N DR2205 DRUINCHI 1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H DR2205 CASMILES C1=CC(=O)C=CC1=O DR2205 CAS__NUM CAS 106-51-4 DR2205 CHEBINUM 16509 DR2205 PUBCMSID 3755; 93045; 588828; 596037; 3132090; 5350273; 8143530; 8152856; 10503286; 11110830; 14709502; 15321165; 17390020;17404683; 24847521; 24891552; 29223739; 38270127; 47662429; 48413275; 48421719; 48422735; 48425556; 49846588; 49854611; 50105510; 50105511; 53777226; 53787812; 57322374; 57390928; 57551963; 57653913;58035064; 79192896; 80953851; 85084076; 85230932; 85272565; 87563289; 87563860; 88803592; 90340661; 92303652; 93617035; 103167124; 104307024; 104668388; 117689055; 118052878 DR2206 DRUG__ID DR2206 DR2206 DRUGNAME DB-041901 DR2206 PUBCMCID 5199 DR2206 DFORMULA C42H38O20 DR2206 INCHIKEY IPQVTOJGNYVQEO-UHFFFAOYSA-N DR2206 DRUINCHI 1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58) DR2206 CASMILES C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O DR2206 CAS__NUM CAS 517-43-1 DR2207 DRUG__ID DR2207 DR2207 DRUGNAME L-tyrosine DR2207 PUBCMCID 6057 DR2207 TTDRUGID D01CRB DR2207 DFORMULA C9H11NO3 DR2207 INCHIKEY OUYCCCASQSFEME-QMMMGPOBSA-N DR2207 DRUINCHI 1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 DR2207 CASMILES C1=CC(=CC=C1CC(C(=O)O)N)O DR2207 CAS__NUM CAS 60-18-4 DR2207 CHEBINUM 17895 DR2207 PUBCMSID 3382; 585619; 585656; 608132; 817482; 817486; 817487; 817488; 817489; 823160; 828554; 832231; 841729; 854649; 3134840; 7847090; 7887220; 7890924; 8026808; 8028352; 8028353; 8144790; 8153780; 10529154; 11528398; 14710671; 15147336; 15195185; 24697644; 24697646; 24889931; 24900164; 24900206; 24900543; 24901863; 25622129;26702499; 26711663; 26711664; 26711665; 26718889; 26719042; 29215265; 29215266; 29225067; 46394031; 46394400; 46504669; 46507885; 48416689 DR2208 DRUG__ID DR2208 DR2208 DRUGNAME P-nitrobenzoic acid DR2208 PUBCMCID 6108 DR2208 DFORMULA C7H5NO4 DR2208 INCHIKEY OTLNPYWUJOZPPA-UHFFFAOYSA-N DR2208 DRUINCHI 1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10) DR2208 CASMILES C1=CC(=CC=C1C(=O)O)[N+](=O)[O-] DR2208 CAS__NUM CAS 62-23-7 DR2208 CHEBINUM 262350 DR2212 DRUG__ID DR2212 DR2212 DRUGNAME Nitroimidazole DR2212 PUBCMCID 10701 DR2212 TTDRUGID D0QY4L DR2212 DFORMULA C3H3N3O2 DR2212 INCHIKEY YZEUHQHUFTYLPH-UHFFFAOYSA-N DR2212 DRUINCHI 1S/C3H3N3O2/c7-6(8)3-4-1-2-5-3/h1-2H,(H,4,5) DR2212 CASMILES C1=CN=C(N1)[N+](=O)[O-] DR2212 CAS__NUM CAS 527-73-1 DR2212 CHEBINUM 67135 DR2213 DRUG__ID DR2213 DR2213 DRUGNAME AI3-23606 DR2213 PUBCMCID 11865 DR2213 DFORMULA C4H3NO3 DR2213 INCHIKEY FUBFWTUFPGFHOJ-UHFFFAOYSA-N DR2213 DRUINCHI 1S/C4H3NO3/c6-5(7)4-2-1-3-8-4/h1-3H DR2213 CASMILES C1=COC(=C1)[N+](=O)[O-] DR2213 CAS__NUM CAS 609-39-2 DR2213 CHEBINUM 34890 DR2214 DRUG__ID DR2214 DR2214 DRUGNAME CL-205086 DR2214 PUBCMCID 18208 DR2214 DFORMULA C3H3N3O2 DR2214 INCHIKEY VYDWQPKRHOGLPA-UHFFFAOYSA-N DR2214 DRUINCHI 1S/C3H3N3O2/c7-6(8)3-1-4-2-5-3/h1-2H,(H,4,5) DR2214 CASMILES C1=C(NC=N1)[N+](=O)[O-] DR2214 CAS__NUM CAS 3034-38-6 DR2214 CHEBINUM 64635 DR2217 DRUG__ID DR2217 DR2217 DRUGNAME ML-236B DR2217 PUBCMCID 64715 DR2217 TTDRUGID D0J9GD DR2217 DFORMULA C23H34O5 DR2217 INCHIKEY AJLFOPYRIVGYMJ-INTXDZFKSA-N DR2217 DRUINCHI 1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1 DR2217 CASMILES CCC(C)C(=O)OC1CCC=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O DR2217 CAS__NUM CAS 73573-88-3 DR2217 CHEBINUM 34848 DR2217 PUBCMSID 7846932; 7978987; 8189253; 12015427; 14756488; 14780729; 17405315; 24278540; 24820212; 25819930; 26719712; 26759157; 43121594; 46386660; 47574453; 47944886; 49896293; 53777860; 53790805; 56468435; 57288790; 57315124; 71821891; 78233515; 85787615; 89850273; 90340823; 91614978; 92304233; 92308676; 92308746; 103241784; 103923731; 104331841; 117549691; 119525148; 121361574; 124659149; 124800281; 135021782; 135650602; 135727287; 135969249; 137101020; 142413177; 144089061; 144205093; 152134131; 160809187; 162023089 DR2218 DRUG__ID DR2218 DR2218 DRUGNAME Laxoberon DR2218 PUBCMCID 68654 DR2218 TTDRUGID D00TGR DR2218 DFORMULA C18H13NNa2O8S2 DR2218 INCHIKEY GOZDTZWAMGHLDY-UHFFFAOYSA-L DR2218 DRUINCHI 1S/C18H15NO8S2.2Na/c20-28(21,22)26-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(11-7-14)27-29(23,24)25;;/h1-12,18H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2 DR2218 CASMILES C1=CC=NC(=C1)C(C2=CC=C(C=C2)OS(=O)(=O)[O-])C3=CC=C(C=C3)OS(=O)(=O)[O-].[Na+].[Na+] DR2218 CAS__NUM CAS 77-92-9 DR2218 CHEBINUM 30769 DR2218 PUBCMSID 585136; 8192250; 14810109; 43125192; 50006101; 57316986;75609776; 104342700; 117374714; 124976358; 126671820; 135027201; 137118936; 144206577; 164178032; 164232631; 188889269; 198975000; 210279710; 210282033; 223441830; 223652695; 224488080; 226681202; 252356710; 252543057 DR2219 DRUG__ID DR2219 DR2219 DRUGNAME PNB-D-xyloside DR2219 PUBCMCID 91509 DR2219 DFORMULA C11H13NO7 DR2219 INCHIKEY MLJYKRYCCUGBBV-YTWAJWBKSA-N DR2219 DRUINCHI 1S/C11H13NO7/c13-8-5-18-11(10(15)9(8)14)19-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2/t8-,9+,10-,11+/m1/s1 DR2219 CASMILES C1C(C(C(C(O1)OC2=CC=C(C=C2)[N+](=O)[O-])O)O)O DR2219 CAS__NUM CAS 2001-96-9 DR2219 CHEBINUM 90148 DR2220 DRUG__ID DR2220 DR2220 DRUGNAME PNB-D-glucoside DR2220 PUBCMCID 92930 DR2220 DFORMULA C12H15NO8 DR2220 INCHIKEY IFBHRQDFSNCLOZ-RMPHRYRLSA-N DR2220 DRUINCHI 1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12-/m1/s1 DR2220 CASMILES C1=CC(=CC=C1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O DR2220 CAS__NUM CAS 2492-87-7 DR2220 CHEBINUM 90259 DR2222 DRUG__ID DR2222 DR2222 DRUGNAME W-201259 DR2222 PUBCMCID 152109 DR2222 DFORMULA C12H22O11 DR2222 INCHIKEY GUBGYTABKSRVRQ-KWCWEWCRSA-N DR2222 DRUINCHI 1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8+,9+,10-,11?,12+/m1/s1 DR2222 CASMILES C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O DR2222 CAS__NUM CAS 15548-43-3 DR2222 CHEBINUM 25164 DR2224 DRUG__ID DR2224 DR2224 DRUGNAME Dihydrolanosterol DR2224 PUBCMCID 440560 DR2224 DFORMULA C30H52O DR2224 INCHIKEY MBZYKEVPFYHDOH-BQNIITSRSA-N DR2224 DRUINCHI 1S/C30H52O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h20-22,25-26,31H,9-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1 DR2224 CASMILES CC(C)CCCC(C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C DR2224 CAS__NUM CAS 79-62-9 DR2224 CHEBINUM 28113 DR2225 DRUG__ID DR2225 DR2225 DRUGNAME CCRIS-651 DR2225 PUBCMCID 444041 DR2225 DFORMULA C42H70O35 DR2225 INCHIKEY WHGYBXFWUBPSRW-FOUAGVGXSA-N DR2225 DRUINCHI 1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1 DR2225 CASMILES C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)CO)CO)CO)CO)CO)CO)O)O)O DR2225 CAS__NUM 7585-39-9 DR2225 CHEBINUM 495055 DR2226 DRUG__ID DR2226 DR2226 DRUGNAME Cefotaxime DR2226 PUBCMCID 5742673 DR2226 DFORMULA C16H17N5O7S2 DR2226 INCHIKEY GPRBEKHLDVQUJE-QSWIMTSFSA-N DR2226 DRUINCHI 1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1 DR2226 CASMILES CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O DR2226 CAS__NUM CAS 60846-21-1 DR2226 CHEBINUM 204928 DR2227 DRUG__ID DR2227 DR2227 DRUGNAME R-5495 DR2227 PUBCMCID 10975657 DR2227 DFORMULA C5H10O5 DR2227 INCHIKEY SRBFZHDQGSBBOR-SOOFDHNKSA-N DR2227 DRUINCHI 1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5?/m1/s1 DR2227 CASMILES C1C(C(C(C(O1)O)O)O)O DR2227 CAS__NUM CAS 10257-32-6 DR2227 CHEBINUM 47006 DR2228 DRUG__ID DR2228 DR2228 DRUGNAME Diclofenac glucuronide DR2228 PUBCMCID 16084218 DR2228 DFORMULA C20H19Cl2NO8 DR2228 INCHIKEY JXIKYYSIYCILNG-HBWRTXEVSA-N DR2228 DRUINCHI 1S/C20H19Cl2NO8/c21-10-5-3-6-11(22)14(10)23-12-7-2-1-4-9(12)8-13(24)30-20-17(27)15(25)16(26)18(31-20)19(28)29/h1-7,15-18,20,23,25-27H,8H2,(H,28,29)/t15-,16-,17+,18-,20+/m0/s1 DR2228 CASMILES C1=CC=C(C(=C1)CC(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O)NC3=C(C=CC=C3Cl)Cl DR2228 CAS__NUM CAS 64118-81-6 DR2228 CHEBINUM 59609 DR2229 DRUG__ID DR2229 DR2229 DRUGNAME Dihydro-coumaric acid DR2229 PUBCMCID 91 DR2229 DFORMULA C9H10O3 DR2229 INCHIKEY QVWAEZJXDYOKEH-UHFFFAOYSA-N DR2229 DRUINCHI 1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12) DR2229 CASMILES C1=CC(=CC(=C1)O)CCC(=O)O DR2229 CAS__NUM CAS 621-54-5 DR2229 CHEBINUM 1427 DR2231 DRUG__ID DR2231 DR2231 DRUGNAME HSDB-41 DR2231 PUBCMCID 180 DR2231 DFORMULA C3H6O DR2231 INCHIKEY CSCPPACGZOOCGX-UHFFFAOYSA-N DR2231 DRUINCHI 1S/C3H6O/c1-3(2)4/h1-2H3 DR2231 CASMILES CC(=O)C DR2231 CAS__NUM CAS 67-64-1 DR2231 CHEBINUM 15347 DR2235 DRUG__ID DR2235 DR2235 DRUGNAME Chloroacetic acid DR2235 PUBCMCID 300 DR2235 DFORMULA C2H3ClO2 DR2235 INCHIKEY FOCAUTSVDIKZOP-UHFFFAOYSA-N DR2235 DRUINCHI 1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5) DR2235 CASMILES C(C(=O)O)Cl DR2235 CAS__NUM CAS 79-11-8 DR2235 CHEBINUM 27869 DR2239 DRUG__ID DR2239 DR2239 DRUGNAME ACMC-209hn7 DR2239 PUBCMCID 671 DR2239 DFORMULA C11H8O4 DR2239 INCHIKEY VOJUXHHACRXLTD-UHFFFAOYSA-N DR2239 DRUINCHI 1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15) DR2239 CASMILES C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)O)O DR2239 CAS__NUM CAS 31519-22-9 DR2239 CHEBINUM 18094 DR2243 DRUG__ID DR2243 DR2243 DRUGNAME Glycan DR2243 PUBCMCID 871 DR2243 TTDRUGID D09RPU DR2243 DFORMULA C18H32O16 DR2243 INCHIKEY FYGDTMLNYKFZSV-UHFFFAOYSA-N DR2243 DRUINCHI 1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2 DR2243 CASMILES C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O DR2243 CAS__NUM CAS 6587-31-1 DR2243 PUBCMSID 3710; 4832011; 24439230; 26759080; 50431160; 56367056; 57320553; 85087435; 85087436; 90296635; 103826093; 104296099; 117533798; 124894317; 125368907; 125433880; 125536441; 125659621; 125769779; 125816991; 126437669; 126673758; 135377719; 137275570; 137821896; 152055142; 163687769; 164808516; 179225824; 184572389; 223684770; 227342480; 244249007 DR2246 DRUG__ID DR2246 DR2246 DRUGNAME BE-14348A DR2246 PUBCMCID 932 DR2246 TTDRUGID D02ABO DR2246 DFORMULA C15H12O5 DR2246 INCHIKEY FTVWIRXFELQLPI-UHFFFAOYSA-N DR2246 DRUINCHI 1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1 DR2246 CASMILES C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O DR2246 CAS__NUM CAS 480-41-1 DR2246 CHEBINUM 50202 DR2251 DRUG__ID DR2251 DR2251 DRUGNAME Ortho-phosphate DR2251 PUBCMCID 1004 DR2251 DFORMULA H3O4P DR2251 INCHIKEY NBIIXXVUZAFLBC-UHFFFAOYSA-N DR2251 DRUINCHI 1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4) DR2251 CASMILES OP(=O)(O)O DR2251 CAS__NUM CAS 7664-38-2 DR2251 CHEBINUM 26078. DR2253 DRUG__ID DR2253 DR2253 DRUGNAME Pyrogallol DR2253 PUBCMCID 1057 DR2253 TTDRUGID D06TPF DR2253 DFORMULA C6H6O3 DR2253 INCHIKEY WQGWDDDVZFFDIG-UHFFFAOYSA-N DR2253 DRUINCHI 1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H DR2253 CASMILES C1=CC(=C(C(=C1)O)O)O DR2253 CAS__NUM CAS 87-66-1 DR2253 CHEBINUM 16164 DR2255 DRUG__ID DR2255 DR2255 DRUGNAME Trimethylamine oxide DR2255 PUBCMCID 1145 DR2255 DFORMULA C3H9NO DR2255 INCHIKEY UYPYRKYUKCHHIB-UHFFFAOYSA-N DR2255 DRUINCHI 1S/C3H9NO/c1-4(2,3)5/h1-3H3 DR2255 CASMILES C[N+](C)(C)[O-] DR2255 CAS__NUM CAS 1184-78-7 DR2255 CHEBINUM 15724 DR2258 DRUG__ID DR2258 DR2258 DRUGNAME Homovanillic acid DR2258 PUBCMCID 1738 DR2258 DFORMULA C9H10O4 DR2258 INCHIKEY QRMZSPFSDQBLIX-UHFFFAOYSA-N DR2258 DRUINCHI 1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12) DR2258 CASMILES COC1=C(C=CC(=C1)CC(=O)O)O DR2258 CAS__NUM CAS 306-08-1 DR2258 CHEBINUM 545959 DR2259 DRUG__ID DR2259 DR2259 DRUGNAME Amantadine DR2259 PUBCMCID 2130 DR2259 TTDRUGID D02KRS DR2259 DFORMULA C10H17N DR2259 INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N DR2259 DRUINCHI 1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2 DR2259 CASMILES C1C2CC3CC1CC(C2)(C3)N DR2259 CAS__NUM CAS 768-94-5 DR2259 CHEBINUM 2618 DR2259 PUBCMSID 9036; 461565; 588114; 597379; 3136147; 5106490; 7978680; 8147192; 8151445; 10535392; 11110715; 11335990; 11361229; 11362804; 11365366; 11367928; 11371422; 11373687; 11376090; 11448576; 11462201; 11466435; 11467555; 11483738; 11486009; 11487897; 11490107; 11491949; 11493844; 15170902; 15219251; 16666659; 24848359; 26755640; 26755641; 29221309; 30400536; 38395099; 46168239; 46507081; 47216816; 47216817; 47440544; 47515356; 47589230; 47736526; 47959791; 48035167; 48035168; 48259495 DR2260 DRUG__ID DR2260 DR2260 DRUGNAME Aminoglutethimide DR2260 PUBCMCID 2145 DR2260 TTDRUGID D0M6DO DR2260 DFORMULA C13H16N2O2 DR2260 INCHIKEY ROBVIMPUHSLWNV-UHFFFAOYSA-N DR2260 DRUINCHI 1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17) DR2260 CASMILES CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N DR2260 CAS__NUM CAS 125-84-8 DR2260 CHEBINUM 2654 DR2260 PUBCMSID 9819; 459146; 3206291; 4656527; 7847640; 7978687; 8149197; 8151456; 10321343; 10506109; 11336059; 11361298; 11362814; 11365376; 11367938; 11371432; 11373727; 11376100; 11407292; 11462270; 11466272; 11467392; 11483782; 11485983; 11487909; 11490112; 11491959; 11493854; 12012594; 15068844; 17404687; 24278142; 25623233; 26611601; 26679683; 26747446; 26747447; 26747448; 29221324; 46500462; 46506066; 46510177; 47216836; 47291191; 47291192; 47736545; 47810808; 48110505; 48259296; 48334561 DR2262 DRUG__ID DR2262 DR2262 DRUGNAME Benzthiazide DR2262 PUBCMCID 2343 DR2262 TTDRUGID D0L2MX DR2262 DFORMULA C15H14ClN3O4S3 DR2262 INCHIKEY NDTSRXAMMQDVSW-UHFFFAOYSA-N DR2262 DRUINCHI 1S/C15H14ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)(H2,17,20,21) DR2262 CASMILES C1=CC=C(C=C1)CSCC2=NS(=O)(=O)C3=CC(=C(C=C3N2)Cl)S(=O)(=O)N DR2262 CAS__NUM CAS 91-33-8 DR2262 CHEBINUM 3047 DR2262 PUBCMSID 9961; 855918; 5424480; 7444845; 7847717; 8149217; 8151569; 10321902; 10537792; 11112238; 11335666; 11360905; 11362890; 11365452; 11368014; 11371510; 11373799; 11376176; 11461877; 11466852; 11467972; 11484797; 11486404; 11488957; 11490131; 11492065; 11493890; 15007355; 24891974; 26611623; 26680720; 26747882; 26747883; 29221512; 46506752; 47365143; 47440204; 47515276; 47736426; 47885365; 47959694; 48259187; 48415618; 49698654; 49890373; 50100396; 50784644; 57321266; 57653955; 85787342 DR2263 DRUG__ID DR2263 DR2263 DRUGNAME Benzyl benzoate DR2263 PUBCMCID 2345 DR2263 TTDRUGID D0G1VX DR2263 DFORMULA C14H12O2 DR2263 INCHIKEY SESFRYSPDFLNCH-UHFFFAOYSA-N DR2263 DRUINCHI 1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2 DR2263 CASMILES C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2 DR2263 CAS__NUM CAS 120-51-4 DR2263 CHEBINUM 41237 DR2266 DRUG__ID DR2266 DR2266 DRUGNAME Biperiden DR2266 PUBCMCID 2381 DR2266 TTDRUGID D0B4TN DR2266 DFORMULA C21H29NO DR2266 INCHIKEY YSXKPIUOCJLQIE-UHFFFAOYSA-N DR2266 DRUINCHI 1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2 DR2266 CASMILES C1CCN(CC1)CCC(C2CC3CC2C=C3)(C4=CC=CC=C4)O DR2266 CAS__NUM CAS 514-65-8 DR2266 CHEBINUM 3112 DR2266 PUBCMSID 10143; 5493029; 7847844; 8151597; 10524841; 11456991; 11466530; 11467650; 11486080; 14752229; 29221547; 46508325; 47275123; 47720190; 48317976; 50017052; 53788571; 57321294; 76693621; 85209894; 90341640; 92308107; 92729934; 103024637; 103304259; 104098413; 104300422; 124894170; 124894171; 126688938; 129843440; 134338370; 134978790; 137248602; 143201313; 144075883; 160964152; 163409099; 163847731; 174006780; 175267713; 175611146; 178103704; 179225300; 206246485; 210274830; 210280462; 223672012; 223889014; 226421316 DR2267 DRUG__ID DR2267 DR2267 DRUGNAME Bisacodyl DR2267 PUBCMCID 2391 DR2267 TTDRUGID D07IEF DR2267 DFORMULA C22H19NO4 DR2267 INCHIKEY KHOITXIGCFIULA-UHFFFAOYSA-N DR2267 DRUINCHI 1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3 DR2267 CASMILES CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=N3 DR2267 CAS__NUM CAS 603-50-9 DR2267 CHEBINUM 3125 DR2268 DRUG__ID DR2268 DR2268 DRUGNAME BRN-1907611 DR2268 PUBCMCID 2537 DR2268 TTDRUGID D0H1QY DR2268 DFORMULA C10H16O DR2268 INCHIKEY DSSYKIVIOFKYAU-UHFFFAOYSA-N DR2268 DRUINCHI 1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3 DR2268 CASMILES CC1(C2CCC1(C(=O)C2)C)C DR2268 CAS__NUM CAS 76-22-2 DR2268 CHEBINUM 36773 DR2268 PUBCMSID 4067; 3132321; 5007458; 7847166; 8149228; 8151682; 10501808; 10513538; 10523484; 10523485; 10535101; 11335899; 11361138; 11462110; 14709543; 15146886; 17389023; 17425401; 17486483; 25621450; 26752736; 29221699; 30559379; 48185229; 48423076; 48425105; 49816688; 49854350; 49855812; 49898651; 57309739; 57321362; 74382197; 76206502; 85084503; 85084504; 85084505; 85280976; 87244069; 87565221; 87565222; 87566270; 90451316; 92721405; 99301812; 103179042; 104152820; 104300878; 104667151; 117397419 DR2269 DRUG__ID DR2269 DR2269 DRUGNAME Cetirizine DR2269 PUBCMCID 2678 DR2269 TTDRUGID D0DK8V DR2269 DFORMULA C21H25ClN2O3 DR2269 INCHIKEY ZKLPARSLTMPFCP-UHFFFAOYSA-N DR2269 DRUINCHI 1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26) DR2269 CASMILES C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl DR2269 CAS__NUM CAS 83881-51-0 DR2269 CHEBINUM 3561 DR2269 PUBCMSID 9980; 853774; 5658851; 7978899; 8151737; 11466531; 11467651; 11486082; 11501857; 14756386; 29221835; 46508368; 47359454; 47583265; 47953980; 48179259; 48403972; 48415747; 49698526; 49846704; 49861380; 50112918; 50112919; 50112920; 50276923; 51091966; 57321395; 57581408; 81041207; 85209379; 85788875; 90341832; 92290962; 92721266; 93624540; 103266652; 104170194; 104301286; 108136263; 117611598; 117843325; 121362416; 124526347; 125324646; 125339821; 125544920; 125822846; 126525325; 126582564; 126619301 DR2270 DRUG__ID DR2270 DR2270 DRUGNAME WIN-4692 DR2270 PUBCMCID 2717 DR2270 TTDRUGID D0S1OE DR2270 DFORMULA C11H12ClNO3S DR2270 INCHIKEY WEQAYVWKMWHEJO-UHFFFAOYSA-N DR2270 DRUINCHI 1S/C11H12ClNO3S/c1-13-10(14)6-7-17(15,16)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3 DR2270 CASMILES CN1C(S(=O)(=O)CCC1=O)C2=CC=C(C=C2)Cl DR2270 CAS__NUM CAS 80-77-3 DR2270 CHEBINUM 3619 DR2270 PUBCMSID 442083; 5050815; 7847334; 8150147; 8151758; 10321688; 10536330; 11336061; 11361300; 11363308; 11365870; 11368432; 11372047; 11374872; 11376594; 11462272; 11466364; 11467484; 11485529; 11486028; 11489623; 11490899; 11493051; 11494228; 14996956; 17404946; 26613160; 26679933; 26747112; 26751725; 28220405; 29221874; 46505352; 47291193; 47440324; 47440325; 47440326; 47736546; 47810809; 47885474; 48259297; 48259298; 48334563; 48334564; 48415758; 49698818; 50051463; 50104419; 50104420; 51023175 DR2271 DRUG__ID DR2271 DR2271 DRUGNAME Chlorpyrifos DR2271 PUBCMCID 2730 DR2271 TTDRUGID D0M5ES DR2271 DFORMULA C9H11Cl3NO3PS DR2271 INCHIKEY SBPBAQFWLVIOKP-UHFFFAOYSA-N DR2271 DRUINCHI 1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3 DR2271 CASMILES CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl DR2271 CAS__NUM CAS 2921-88-2 DR2271 CHEBINUM 34631 DR2272 DRUG__ID DR2272 DR2272 DRUGNAME Cimetidine DR2272 PUBCMCID 2756 DR2272 TTDRUGID D02DPA DR2272 DFORMULA C10H16N6S DR2272 INCHIKEY AQIXAKUUQRKLND-UHFFFAOYSA-N DR2272 DRUINCHI 1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) DR2272 CASMILES CC1=C(N=CN1)CSCCNC(=NC)NC#N DR2272 CAS__NUM CAS 51481-61-9 DR2272 CHEBINUM 3699 DR2272 PUBCMSID 9167; 460110; 615111; 4266417; 4493559; 6699439; 6897918; 7847361; 7978946; 8147032; 8149633; 10321166; 10524846; 11110948; 11113773; 11335341; 11360580; 11363389; 11365951; 11368513; 11372297; 11374462; 11376675; 11407328; 11461552; 11484620; 11488598; 11491204; 11492627; 11494309; 11533056; 12013445; 14774387; 15122273; 15196790; 17389962; 17404856; 22391437; 24277766; 24531048; 26612025; 26679798; 26747359; 26747360; 26751956; 26751957; 29221911; 46487919; 46505360; 47275096 DR2273 DRUG__ID DR2273 DR2273 DRUGNAME Ciprofloxacin DR2273 PUBCMCID 2764 DR2273 TTDRUGID D0O1WX DR2273 DFORMULA C17H18FN3O3 DR2273 INCHIKEY MYSWGUAQZAJSOK-UHFFFAOYSA-N DR2273 DRUINCHI 1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24) DR2273 CASMILES C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O DR2273 CAS__NUM CAS 85721-33-1 DR2273 CHEBINUM 100241 DR2273 PUBCMSID 854234; 7849275; 8188389; 12012611; 14780446; 43120033; 50065329; 50125725; 57314943; 80847453; 81043820; 85174197; 92722913; 93305520; 99319459; 104327163; 115354412; 118836555; 125358728; 126603656; 126617874; 126653698; 126663877; 131328379; 131549783; 134338664; 135019641; 143449628; 143837408; 162251668; 163370746; 164788124; 165235301; 175267218; 175611737; 196107810; 223683480; 226414707; 249857489; 252427178 DR2274 DRUG__ID DR2274 DR2274 DRUGNAME EPX-100 DR2274 PUBCMCID 2782 DR2274 TTDRUGID D06XDJ DR2274 DFORMULA C19H20ClN3 DR2274 INCHIKEY CJXAEXPPLWQRFR-UHFFFAOYSA-N DR2274 DRUINCHI 1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2 DR2274 CASMILES C1CCN(C1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl DR2274 CAS__NUM CAS 442-52-4 DR2274 CHEBINUM 52140 DR2274 PUBCMSID 99695; 615231; 4445364; 8151794; 10522977; 11110952; 11110953; 11466255; 11467375; 11485930; 15347485; 29221937; 47216959; 47216960; 47810952; 47959954; 48110645; 48334694; 49698395; 50100200; 50104284; 57304882; 57321456; 79754667; 85209562; 85788561; 87906851; 90341639; 103826182; 104301595; 106178634; 117463367; 124662137; 124879655; 124879656; 124879657; 125823529; 127635999; 134974845; 134986591; 136351847; 137005449; 142245913; 160671857; 162224660; 170497650; 172915197; 179225225; 184531234; 185985216 DR2278 DRUG__ID DR2278 DR2278 DRUGNAME HY-12638 DR2278 PUBCMCID 3037 DR2278 DFORMULA C13H10Cl2O2 DR2278 INCHIKEY MDNWOSOZYLHTCG-UHFFFAOYSA-N DR2278 DRUINCHI 1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2 DR2278 CASMILES C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)O)O DR2278 CAS__NUM CAS 97-23-4 DR2278 CHEBINUM 34689 DR2280 DRUG__ID DR2280 DR2280 DRUGNAME Dicyclomine DR2280 PUBCMCID 3042 DR2280 TTDRUGID D07XJM DR2280 DFORMULA C19H35NO2 DR2280 INCHIKEY CURUTKGFNZGFSE-UHFFFAOYSA-N DR2280 DRUINCHI 1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3 DR2280 CASMILES CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2 DR2280 CAS__NUM CAS 77-19-0 DR2280 CHEBINUM 4514 DR2280 PUBCMSID 9166; 579063; 5394320; 7979069; 8151936; 10535471; 11111098; 11112188; 11335337; 11360576; 11363828; 11366390; 11368952; 11371495; 11374196; 11377114; 11461548; 11466076; 11467196; 11484176; 11485832; 11488406; 11490204; 11492324; 11494748; 15048766; 29222188; 46505371; 47440119; 47662128; 47662129; 48034974; 48110323; 48184864; 48259084; 48334352; 48415886; 49698855; 49957700; 50065186; 50100226; 50104289; 57321573; 80483160; 85209403; 85789477; 90341021; 96024517; 99313632; 103318016 DR2281 DRUG__ID DR2281 DR2281 DRUGNAME Diphenylpyraline DR2281 PUBCMCID 3103 DR2281 TTDRUGID D0W6DY DR2281 DFORMULA C19H23NO DR2281 INCHIKEY OWQUZNMMYNAXSL-UHFFFAOYSA-N DR2281 DRUINCHI 1S/C19H23NO/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3 DR2281 CASMILES CN1CCC(CC1)OC(C2=CC=CC=C2)C3=CC=CC=C3 DR2281 CAS__NUM CAS 147-20-6 DR2281 CHEBINUM 59788 DR2281 PUBCMSID 615228; 5046068; 8151975; 10508417; 11112289; 11336026; 11361265; 11363896; 11366458; 11369020; 11371242; 11374260; 11377182; 11455164; 11462237; 11466735; 11467855; 11484779; 11486550; 11488798; 11490217; 11492336; 11494816; 15442665; 29222246; 46504936; 47365245; 47365246; 47515368; 47736537; 47885465; 48185045; 48259283; 48334549; 48415912; 49698858; 50016255; 50123603; 50123604; 50938711; 57321610; 85171690; 85209863; 85788475; 92729772; 96024558; 99319623; 103555994; 103856536; 104098725 DR2282 DRUG__ID DR2282 DR2282 DRUGNAME Dipyridamole DR2282 PUBCMCID 3108 DR2282 TTDRUGID D0F9GE DR2282 DFORMULA C24H40N8O4 DR2282 INCHIKEY IZEKFCXSFNUWAM-UHFFFAOYSA-N DR2282 DRUINCHI 1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2 DR2282 CASMILES C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO DR2282 CAS__NUM CAS 58-32-2 DR2282 CHEBINUM 4653 DR2282 PUBCMSID 480294; 489152; 612448; 855977; 5052822; 7847368; 7979106; 8149314; 8151978; 10321246; 10528232; 10589644; 11111116; 11111117; 11113358; 11335871; 11361110; 11363898; 11366460; 11369022; 11371244; 11374262; 11377184; 11410079; 11462082; 11466170; 11467290; 11484739; 11485919; 11488788; 11490218; 11492337; 11494818; 12054904; 14811101; 17405027; 22391481; 24277705; 26611713; 26680947; 26747068; 26747069; 26751580; 26751581; 26758633; 29222251; 46487910; 46506292; 47291146; 47291147 DR2283 DRUG__ID DR2283 DR2283 DRUGNAME Ethopropazine DR2283 PUBCMCID 3290 DR2283 TTDRUGID D0Q0RC DR2283 DFORMULA C19H24N2S DR2283 INCHIKEY CDOZDBSBBXSXLB-UHFFFAOYSA-N DR2283 DRUINCHI 1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3 DR2283 CASMILES CCN(CC)C(C)CN1C2=CC=CC=C2SC3=CC=CC=C31 DR2283 CAS__NUM CAS 1094-08-2 DR2283 CHEBINUM 313639 DR2283 PUBCMSID 5235096; 8152090; 10525152; 11335236; 11360475; 11363709; 11366271; 11368833; 11371338; 11374354; 11376995; 11455619; 11461447; 11466868; 11467988; 11484783; 11486456; 11488800; 11490245; 11492363; 11494629; 14923459; 29222428; 46507375; 46509734; 47365017; 47365018; 47959566; 48034942; 48110291; 48184832; 48334311; 48415977; 49698862; 50006444; 57244628; 57321707; 77111137; 85209984; 85505762; 87692421; 90341779; 96025112; 103362582; 104303077; 125672985; 126718928; 134338364; 134977403; 137138734 DR2284 DRUG__ID DR2284 DR2284 DRUGNAME Ethoxzolamide DR2284 PUBCMCID 3295 DR2284 TTDRUGID D07INV DR2284 DFORMULA C9H10N2O3S2 DR2284 INCHIKEY OUZWUKMCLIBBOG-UHFFFAOYSA-N DR2284 DRUINCHI 1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13) DR2284 CASMILES CCOC1=CC2=C(C=C1)N=C(S2)S(=O)(=O)N DR2284 CAS__NUM CAS 452-35-7 DR2284 CHEBINUM 101096 DR2284 PUBCMSID 75836; 840267; 855751; 893338; 5242023; 7849499; 8152095; 10523205; 15213608; 24860121; 29215007; 29222433; 46509023; 46511452; 48415980; 49681475; 49890761; 50100966; 56422188; 57280084; 57280086; 57288316; 57304388; 57321712; 80657483; 85176911; 85306595; 87557627; 92308013; 92308213; 92729651; 95614375; 96021935; 99444198; 103048393; 103164710; 104171380; 104303092; 124587685; 124800633; 124883557; 124883558; 124897844; 125637519; 126671832; 128865742; 134337889; 134975323; 135378086; 137004941 DR2285 DRUG__ID DR2285 DR2285 DRUGNAME Famprofazone DR2285 PUBCMCID 3326 DR2285 DFORMULA C24H31N3O DR2285 INCHIKEY GNUXVOXXWGNPIV-UHFFFAOYSA-N DR2285 DRUINCHI 1S/C24H31N3O/c1-18(2)23-22(17-25(4)19(3)16-20-12-8-6-9-13-20)26(5)27(24(23)28)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3 DR2285 CASMILES CC(C)C1=C(N(N(C1=O)C2=CC=CC=C2)C)CN(C)C(C)CC3=CC=CC=C3 DR2285 CAS__NUM CAS 22881-35-2 DR2285 CHEBINUM 93799 DR2286 DRUG__ID DR2286 DR2286 DRUGNAME QC-1571 DR2286 PUBCMCID 3344 DR2286 DFORMULA C15H20N2O2 DR2286 INCHIKEY FVNFBBAOMBJTST-UHFFFAOYSA-N DR2286 DRUINCHI 1S/C15H20N2O2/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18) DR2286 CASMILES C1CN(CCC12CNC(=O)O2)CCC3=CC=CC=C3 DR2286 CAS__NUM CAS 5053-08-7 DR2286 CHEBINUM 94558 DR2287 DRUG__ID DR2287 DR2287 DRUGNAME Flucytosine DR2287 PUBCMCID 3366 DR2287 TTDRUGID D0S5WG DR2287 DFORMULA C4H4FN3O DR2287 INCHIKEY XRECTZIEBJDKEO-UHFFFAOYSA-N DR2287 DRUINCHI 1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9) DR2287 CASMILES C1=NC(=O)NC(=C1F)N DR2287 CAS__NUM CAS 2022-85-7 DR2287 CHEBINUM 5100 DR2287 PUBCMSID 405592; 602763; 841044; 1434447; 3140368; 3218074; 5270497; 5329900; 5431724; 6041883; 7847389; 7979233; 8139861; 11112505;11404488; 11466962; 11468082; 11486773; 11564865; 14747633; 15194483; 24712291; 24870520; 24894919; 24894928; 26719629; 29222501; 39910157; 46386766; 46504735; 47662407; 47736597; 48110551; 48110552;48416018; 49699216; 49831643; 49960195; 51074762; 53653662; 56424024; 57321755; 57930982; 81041221; 83591697; 85086121; 87570095; 87633378; 88817477; 92125834 DR2290 DRUG__ID DR2290 DR2290 DRUGNAME Lauric acid DR2290 PUBCMCID 3893 DR2290 TTDRUGID D0N0UC DR2290 DFORMULA C12H24O2 DR2290 INCHIKEY POULHZVOKOAJMA-UHFFFAOYSA-N DR2290 DRUINCHI 1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14) DR2290 CASMILES CCCCCCCCCCCC(=O)O DR2290 CAS__NUM CAS 143-07-7 DR2290 CHEBINUM 30805 DR2290 PUBCMSID 5649; 71199; 587917; 819797; 819951; 821886; 822246; 826382; 830803; 830815; 832379; 833825; 838007; 838335; 3133731; 3718095; 5673162; 7849666; 7886898; 7888608; 7888612; 8014369; 8026553; 8026610; 8026623; 8026781; 8027199; 8027947; 8027951; 8027953; 8137853; 8145220; 8152452; 10507982; 11456907; 15195524; 17388953; 17389665; 24770717; 24874804; 24896365; 24896407; 24901204; 24901205; 26703021; 26703023; 26703378; 26703414; 26710306; 26710331 DR2291 DRUG__ID DR2291 DR2291 DRUGNAME Meclofenamic acid DR2291 PUBCMCID 4037 DR2291 TTDRUGID D08IFL DR2291 DFORMULA C14H11Cl2NO2 DR2291 INCHIKEY SBDNJUWAMKYJOX-UHFFFAOYSA-N DR2291 DRUINCHI 1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19) DR2291 CASMILES CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)O)Cl DR2291 CAS__NUM CAS 644-62-2 DR2291 CHEBINUM 6710 DR2291 PUBCMSID 9328; 400193; 840128; 7457972; 7849400; 7979877; 8152527; 11335679; 11360918; 11363787; 11366349; 11368911; 11371551; 11373614; 11377073; 11461890; 11466234; 11467354; 11484706; 11485848; 11488861; 11490302; 11491853; 11494707; 14800267; 24424562; 29223148; 46507887; 47365144; 47440206; 47588953; 47662236; 47959696; 48110417; 48110418; 48334447; 49846785; 49870448; 50103859; 50264248; 53788368; 57322106; 85173910; 85788470; 85789196; 103173431; 103828114; 104305246; 117467594; 118313497 DR2292 DRUG__ID DR2292 DR2292 DRUGNAME Memantine DR2292 PUBCMCID 4054 DR2292 TTDRUGID D01JEU DR2292 DFORMULA C12H21N DR2292 INCHIKEY BUGYDGFZZOZRHP-UHFFFAOYSA-N DR2292 DRUINCHI 1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3 DR2292 CASMILES CC12CC3CC(C1)(CC(C3)(C2)N)C DR2292 CAS__NUM CAS 19982-08-2 DR2292 CHEBINUM 64312 DR2292 PUBCMSID 586325; 598200; 3221249; 6380039; 7737264; 8149719; 8152542; 11167042; 11335243; 11360482; 11363501; 11366063; 11368625; 11372025; 11374681; 11376787; 11461454; 11467006; 11468126; 11485192; 11486662; 11489224; 11490738; 11492836; 11494421; 15147301; 24310548; 26751885; 29223165; 46506702; 47290972; 47290973; 47440080; 47515155; 47662108; 47736297; 47736298; 48184834; 48259056; 48334316; 49698917; 50057972; 50104569; 53790630; 57322117; 74530305; 90341818; 96024864; 99301156; 103211988 DR2295 DRUG__ID DR2295 DR2295 DRUGNAME Acecainide DR2295 PUBCMCID 4342 DR2295 TTDRUGID D04BQR DR2295 DFORMULA C15H23N3O2 DR2295 INCHIKEY KEECCEWTUVWFCV-UHFFFAOYSA-N DR2295 DRUINCHI 1S/C15H23N3O2/c1-4-18(5-2)11-10-16-15(20)13-6-8-14(9-7-13)17-12(3)19/h6-9H,4-5,10-11H2,1-3H3,(H,16,20)(H,17,19) DR2295 CASMILES CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C DR2295 CAS__NUM CAS 32795-44-1 DR2295 CHEBINUM 60728 DR2296 DRUG__ID DR2296 DR2296 DRUGNAME Nalidixic acid DR2296 PUBCMCID 4421 DR2296 TTDRUGID D07JGT DR2296 DFORMULA C12H12N2O3 DR2296 INCHIKEY MHWLWQUZZRMNGJ-UHFFFAOYSA-N DR2296 DRUINCHI 1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17) DR2296 CASMILES CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O DR2296 CAS__NUM CAS 389-08-2 DR2296 CHEBINUM 100147 DR2296 PUBCMSID 7525; 120913; 597740; 855620; 3136845; 5096866; 7735476; 7847251; 7980065; 8149659; 8152734; 11335233; 11360472; 11363812; 11366374; 11368936; 11371209; 11374472; 11377098; 11385372; 11446159; 11451821; 11461444; 11466215; 11467335; 11485315; 11485770; 11489176; 11489891; 11492632; 11494732; 14773844; 15047394; 17389812; 22391542; 24897719; 24897864; 26534558; 26612057; 26679680; 26746931; 26746932; 26751459; 26751460; 29223518; 46487920; 46507401; 47440076; 47440077; 47588827 DR2298 DRUG__ID DR2298 DR2298 DRUGNAME Ofloxacin DR2298 PUBCMCID 4583 DR2298 TTDRUGID D03NHW DR2298 DFORMULA C18H20FN3O4 DR2298 INCHIKEY GSDSWSVVBLHKDQ-UHFFFAOYSA-N DR2298 DRUINCHI 1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25) DR2298 CASMILES CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O DR2298 CAS__NUM CAS 82419-36-1 DR2298 CHEBINUM 7731 DR2298 PUBCMSID 9529; 597127; 3206370; 5025346; 7847519; 7891126; 7980182; 8027636; 8149812; 8152815; 11335896; 11361135; 11364080; 11366642; 11369204; 11372716; 11373806; 11377366; 11462107; 11466265; 11467385; 11485123; 11485970; 11489280; 11491314; 11492139; 11495000; 11533038; 12013736; 14876840; 17405462; 24278613; 24860450; 26612280; 26680409; 26747609; 26747610; 26747611; 26747612; 29223672; 46507574; 47216794; 47291150; 47515336; 47589018; 47589019; 47959764; 48035139; 48259249; 48259250 DR2299 DRUG__ID DR2299 DR2299 DRUGNAME Papaverine DR2299 PUBCMCID 4680 DR2299 TTDRUGID D0NJ3V DR2299 DFORMULA C20H21NO4 DR2299 INCHIKEY XQYZDYMELSJDRZ-UHFFFAOYSA-N DR2299 DRUINCHI 1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3 DR2299 CASMILES COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC DR2299 CAS__NUM CAS 61-25-6 DR2299 CHEBINUM 28241 DR2299 PUBCMSID 8763; 424468; 589990; 596069; 893182; 3727082; 6757319; 8152875; 10528414; 10589551; 11111623; 11111624; 11111625; 11335496; 11360735; 11362885; 11365447; 11368009; 11371753; 11374053; 11376171; 11407575; 11461707; 11466611; 11467731; 11484751; 11486381; 11488794; 11490353; 11492282; 11493885; 11537650; 14875623; 29223768; 46508003; 46515081; 47440156; 47440157; 47515227; 47515228; 47662194; 47662195; 47736379; 47810656; 47959646; 48110367; 48184908; 48259142; 48334400; 48416377 DR2300 DRUG__ID DR2300 DR2300 DRUGNAME Pericyazine DR2300 PUBCMCID 4747 DR2300 TTDRUGID D00AWT DR2300 DFORMULA C21H23N3OS DR2300 INCHIKEY LUALIOATIOESLM-UHFFFAOYSA-N DR2300 DRUINCHI 1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2 DR2300 CASMILES C1CN(CCC1O)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C#N DR2300 CAS__NUM CAS 2622-26-6 DR2300 CHEBINUM 31981 DR2300 PUBCMSID 7703132; 7848548; 7980281; 8150082; 8152913; 10516133; 11336049; 11361288; 11364508; 11367070; 11369632; 11371656; 11373958; 11377794; 11462260; 11485343; 11489420; 11490564; 11492025; 11495428; 14803709; 26612557; 26680430; 26748871; 26748872; 29223833; 46505085; 47291188; 47810806; 48259291; 50006266; 50107474; 56464150; 57322425; 79997266; 85789600; 92124822; 99301962; 103555929; 103846500; 104307313; 117515052; 124636904; 126673224; 128541428; 131349353; 134224641; 134337709; 134982092; 136913034 DR2301 DRUG__ID DR2301 DR2301 DRUGNAME Phenazopyridine DR2301 PUBCMCID 4756 DR2301 TTDRUGID D00VUL DR2301 DFORMULA C11H11N5 DR2301 INCHIKEY QPFYXYFORQJZEC-UHFFFAOYSA-N DR2301 DRUINCHI 1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14) DR2301 CASMILES C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N DR2301 CAS__NUM CAS 136-40-3 DR2301 CHEBINUM 71416 DR2301 PUBCMSID 9633; 429038; 631294; 7348356; 10538554; 10986134; 11112296; 11335986; 11361225; 11363907; 11366469; 11369031; 11371787; 11374087; 11377193; 11462197; 11466780; 11467900; 11483789; 11486439; 11487833; 11490360; 11492289; 11494827; 14748951; 29223840; 46507962; 47211772; 47216813; 47216814; 47440304; 47515353; 47810793; 47959790; 48416404; 49698630; 50032107; 50100844; 57322430; 60914066; 80675658; 85788784; 92712625; 92763268; 96025033; 103378408; 104171363; 104307334; 107890263; 117528062 DR2303 DRUG__ID DR2303 DR2303 DRUGNAME BRN-0889798 DR2303 PUBCMCID 4888 DR2303 DFORMULA C15H13NO3 DR2303 INCHIKEY TVQZAMVBTVNYLA-UHFFFAOYSA-N DR2303 DRUINCHI 1S/C15H13NO3/c1-9(15(17)18)10-4-5-13-12(7-10)8-11-3-2-6-16-14(11)19-13/h2-7,9H,8H2,1H3,(H,17,18) DR2303 CASMILES CC(C1=CC2=C(C=C1)OC3=C(C2)C=CC=N3)C(=O)O DR2303 CAS__NUM CAS 52549-17-4 DR2303 CHEBINUM 32040 DR2304 DRUG__ID DR2304 DR2304 DRUGNAME Resorcinol DR2304 PUBCMCID 5054 DR2304 TTDRUGID D02DBP DR2304 DFORMULA C6H6O2 DR2304 INCHIKEY GHMLBKRAJCXXBS-UHFFFAOYSA-N DR2304 DRUINCHI 1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H DR2304 CASMILES C1=CC(=CC(=C1)O)O DR2304 CAS__NUM CAS 108-46-3 DR2304 CHEBINUM 27810 DR2305 DRUG__ID DR2305 DR2305 DRUGNAME Rimantadine DR2305 PUBCMCID 5071 DR2305 TTDRUGID D0TQ1G DR2305 DFORMULA C12H21N DR2305 INCHIKEY UBCHPRBFMUDMNC-UHFFFAOYSA-N DR2305 DRUINCHI 1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3 DR2305 CASMILES CC(C12CC3CC(C1)CC(C3)C2)N DR2305 CAS__NUM CAS 13392-28-4 DR2305 CHEBINUM 94440 DR2305 PUBCMSID 9445; 626310; 643525; 3722269; 3722270; 7379880; 7980519; 8153120; 10506879; 11347986; 11380337; 15120598; 15219656; 16214800; 29215454; 29215455; 29224140; 46505973; 47589624; 47589625; 48416520; 49864987; 57322594; 57820265; 78405535; 92250339; 92309235; 93625279; 96025169; 103250293; 104308193; 104812960; 117395770; 117395954; 117665755; 119525101; 125327867; 125412242; 125539014; 129343015; 132521219; 134224207; 134338344; 134989610; 135692348; 137038244; 139157511; 144021575; 160839516; 160963824 DR2307 DRUG__ID DR2307 DR2307 DRUGNAME Sulpiride DR2307 PUBCMCID 5355 DR2307 DFORMULA C15H23N3O4S DR2307 INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N DR2307 DRUINCHI 1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21) DR2307 CASMILES CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC DR2307 CAS__NUM CAS 15676-16-1 DR2307 CHEBINUM 32168 DR2309 DRUG__ID DR2309 DR2309 DRUGNAME Trihexyphenidyl DR2309 PUBCMCID 5572 DR2309 TTDRUGID D09GFL DR2309 DFORMULA C20H31NO DR2309 INCHIKEY HWHLPVGTWGOCJO-UHFFFAOYSA-N DR2309 DRUINCHI 1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2 DR2309 CASMILES C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O DR2309 CAS__NUM CAS 144-11-6 DR2309 CHEBINUM 9720 DR2309 PUBCMSID 9380; 76985; 5664292; 7978767; 8153428; 10508113; 11335547; 11360786; 11363526; 11366088; 11368650; 11372249; 11373976; 11376812; 11461758; 11466729; 11467849; 11484493; 11486538; 11488645; 11491190; 11492184; 11494446; 14751778; 29224611; 46507717; 47365113; 47515241; 47515242; 47662205; 47662206; 47662207; 47736399; 48110381; 48259153; 48416664; 49698895; 50016994; 50105266; 50483190; 57322850; 85209532; 85788388; 90341555; 96025321; 103555930; 104309620; 124750254; 124881579; 124881580 DR2310 DRUG__ID DR2310 DR2310 DRUGNAME ENT-50146 DR2310 PUBCMCID 5770 DR2310 TTDRUGID D0J4JM DR2310 DFORMULA C33H40N2O9 DR2310 INCHIKEY QEVHRUUCFGRFIF-MDEJGZGSSA-N DR2310 DRUINCHI 1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1 DR2310 CASMILES COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC DR2310 CAS__NUM CAS 50-55-5 DR2310 CHEBINUM 28487 DR2310 PUBCMSID 8769; 107574; 134033; 623918; 3134366; 7847265; 8138322; 8149518; 8153544; 10321248; 11335187; 11360426; 11362963; 11365525; 11368087; 11371907; 11374535; 11376249; 11408836; 11461398; 11466903; 11468023; 11486606; 11490709; 11492803; 11493923; 11528314; 14887357; 16543090; 17389743; 17404636; 24278208; 24888118; 25622640; 26611910; 26697044; 26752948; 29224805; 46505863; 47213181; 47440061; 47810577; 47885233; 47959555; 47959556; 47959557; 48110277; 48334297; 48334298; 48414422 DR2314 DRUG__ID DR2314 DR2314 DRUGNAME ANW-32821 DR2314 PUBCMCID 5997 DR2314 DFORMULA C27H46O DR2314 INCHIKEY HVYWMOMLDIMFJA-DPAQBDIFSA-N DR2314 DRUINCHI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 DR2314 CASMILES CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C DR2314 CAS__NUM CAS 17528-72-2 DR2314 CHEBINUM 15372 DR2314 PUBCMSID 10318723; 10586602; 12159193; 14927473; 15054036; 2231; 24848759; 24852491; 24856217; 24856220; 24870712; 24892329; 24892335; 24892388; 24893064; 24893094; 24899653; 25621399; 26750557; 26754461; 29203946; 29215267; 29225011; 3132495; 3487; 4266362; 46393729; 47211564; 47722068; 48421907; 49684278; 49688267; 49786946; 49833611; 49854209; 49903086; 53787861; 56311936; 57323103; 57647874; 629186; 74414; 7847108; 7886645; 8025561; 8145005; 8153730; 825929; 827331; 841782 DR2317 DRUG__ID DR2317 DR2317 DRUGNAME Aniline DR2317 PUBCMCID 6115 DR2317 DFORMULA C6H7N DR2317 INCHIKEY PAYRUJLWNCNPSJ-UHFFFAOYSA-N DR2317 DRUINCHI 1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2 DR2317 CASMILES C1=CC=C(C=C1)N DR2317 CAS__NUM CAS 62-53-3 DR2317 CHEBINUM 17296 DR2321 DRUG__ID DR2321 DR2321 DRUGNAME Oxacillin DR2321 PUBCMCID 6196 DR2321 TTDRUGID D0MB8I DR2321 DFORMULA C19H19N3O5S DR2321 INCHIKEY UWYHMGVUTGAWSP-JKIFEVAISA-N DR2321 DRUINCHI 1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1 DR2321 CASMILES CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O DR2321 CAS__NUM CAS 66-79-5 DR2321 CHEBINUM 7809 DR2321 PUBCMSID 9541; 637164; 7980211; 8153886; 24398251; 29225194; 46505710; 48416356; 50050738; 57323249; 77266000; 96024994; 103215636; 104133798; 104311373; 124766053; 129432415; 134223022; 134337736; 134972946; 136357169; 137003784; 139694323; 144224285; 160964057; 175266996; 175443951; 177749334; 179296061; 223555599; 226395922; 250135015; 252553436 DR2323 DRUG__ID DR2323 DR2323 DRUGNAME Mannitol DR2323 PUBCMCID 6251 DR2323 TTDRUGID D0P7EK DR2323 DFORMULA C6H14O6 DR2323 INCHIKEY FBPFZTCFMRRESA-KVTDHHQDSA-N DR2323 DRUINCHI 1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 DR2323 CASMILES C(C(C(C(C(CO)O)O)O)O)O DR2323 CAS__NUM CAS 69-65-8 DR2323 CHEBINUM 16899 DR2323 PUBCMSID 2928; 3682; 829269; 831961; 831967; 7847130; 7889067; 8025969; 8025992; 8145744; 8153931; 11528330; 12088020; 15195196; 16045072; 22435040; 24779011; 24860225; 24882727; 24882728; 24882729; 24896586; 24896902; 24897257; 24897341; 24897346; 26757663; 29225247; 46499979; 46506446; 48413961; 48416194; 48416764; 48423215; 49830006; 49990266; 53789262; 56310769; 56310961; 56311311; 56311364; 56311415; 56313258; 56320903; 56322640; 57323291; 57647519; 57648837; 57651947; 57651948 DR2325 DRUG__ID DR2325 DR2325 DRUGNAME Mercaptosuccinate DR2325 PUBCMCID 6268 DR2325 DFORMULA C4H6O4S DR2325 INCHIKEY NJRXVEJTAYWCQJ-UHFFFAOYSA-N DR2325 DRUINCHI 1S/C4H6O4S/c5-3(6)1-2(9)4(7)8/h2,9H,1H2,(H,5,6)(H,7,8) DR2325 CASMILES C(C(C(=O)O)S)C(=O)O DR2325 CAS__NUM CAS 70-49-5 DR2325 CHEBINUM 38705 DR2327 DRUG__ID DR2327 DR2327 DRUGNAME Linalool DR2327 PUBCMCID 6549 DR2327 TTDRUGID D0X5DC DR2327 DFORMULA C10H18O DR2327 INCHIKEY CDOSHBSSFJOMGT-UHFFFAOYSA-N DR2327 DRUINCHI 1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3 DR2327 CASMILES CC(=CCCC(C)(C=C)O)C DR2327 CAS__NUM CAS 78-70-6 DR2327 CHEBINUM 17580 DR2327 PUBCMSID 6701; 70222; 614470; 3133735; 5565579; 8137828; 8144092; 8154199; 10506174; 10536007; 10546906; 11528346; 15237804; 17388947; 24882195; 24896318; 24901212; 25621389; 26753091; 29204330; 35241607; 46493765; 48416855; 48420340; 48423608; 48425245; 49998801; 50105632; 56367387; 56462784; 57323532; 78208875; 81065477; 85087297; 87572016; 88826085; 92719329; 103194230; 103827395; 104225910; 104312379; 117365608; 117365609; 117396486; 124570903; 124812153; 124891256; 125544877; 125818311; 126561888 DR2328 DRUG__ID DR2328 DR2328 DRUGNAME HSDB-674 DR2328 PUBCMCID 6568 DR2328 DFORMULA C4H10O DR2328 INCHIKEY BTANRVKWQNVYAZ-UHFFFAOYSA-N DR2328 DRUINCHI 1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3 DR2328 CASMILES CCC(C)O DR2328 CAS__NUM CAS 78-92-2 DR2328 CHEBINUM 35687 DR2329 DRUG__ID DR2329 DR2329 DRUGNAME Dehydrocholic acid DR2329 PUBCMCID 6674 DR2329 DFORMULA C24H34O5 DR2329 INCHIKEY OHXPGWPVLFPUSM-KLRNGDHRSA-N DR2329 DRUINCHI 1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1 DR2329 CASMILES CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C DR2329 CAS__NUM CAS 81-23-2 DR2329 CHEBINUM 31459 DR2349 DRUG__ID DR2349 DR2349 DRUGNAME W-108598 DR2349 PUBCMCID 8246 DR2349 DFORMULA C12H19BrN2O2 DR2349 INCHIKEY LULNWZDBKTWDGK-UHFFFAOYSA-M DR2349 DRUINCHI 1S/C12H19N2O2.BrH/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;/h6-9H,1-5H3;1H/q+1;/p-1 DR2349 CASMILES CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C.[Br-] DR2349 CAS__NUM CAS 114-80-7 DR2349 CHEBINUM 179557 DR2353 DRUG__ID DR2353 DR2353 DRUGNAME CTK0H-9987 DR2353 PUBCMCID 8625 DR2353 DFORMULA C18H16N4O10S3 DR2353 INCHIKEY RALNLQYPLYWQRT-UHFFFAOYSA-N DR2353 DRUINCHI 1S/C18H16N4O10S3/c1-9(23)20-14-8-13-10(6-15(14)34(27,28)29)7-16(35(30,31)32)17(18(13)24)22-21-11-2-4-12(5-3-11)33(19,25)26/h2-8,24H,1H3,(H,20,23)(H2,19,25,26)(H,27,28,29)(H,30,31,32) DR2353 CASMILES CC(=O)NC1=C(C=C2C=C(C(=C(C2=C1)O)N=NC3=CC=C(C=C3)S(=O)(=O)N)S(=O)(=O)O)S(=O)(=O)O DR2357 DRUG__ID DR2357 DR2357 DRUGNAME BRN-0183227 DR2357 PUBCMCID 10251 DR2357 TTDRUGID D0B4VE DR2357 DFORMULA C15H12O2 DR2357 INCHIKEY ZONYXWQDUYMKFB-UHFFFAOYSA-N DR2357 DRUINCHI 1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2 DR2357 CASMILES C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3 DR2357 CAS__NUM CAS 487-26-3 DR2357 CHEBINUM 5070 DR2357 PUBCMSID 4028; 102205; 619227; 3134927; 4512170; 8138274; 8157393; 10523909; 10589599; 11341995; 11362178; 11362915; 11365477; 11368039; 11371267; 11375249; 11376201; 11408604; 11483925; 11487580; 11488021; 11489990; 11493460; 11493895; 14717855; 15043641; 24295177; 24846563; 26613018; 26679643; 26749819; 29204140; 29228771; 47217216; 47515755; 47885852; 48110894; 48259673; 48421824; 49969977; 50107717; 50107718; 52951290; 53787071; 56367296; 57326076; 85209501; 85730926; 85789144; 85789390 DR2359 DRUG__ID DR2359 DR2359 DRUGNAME Phloretic acid DR2359 PUBCMCID 10394 DR2359 DFORMULA C9H10O3 DR2359 INCHIKEY NMHMNPHRMNGLLB-UHFFFAOYSA-N DR2359 DRUINCHI 1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12) DR2359 CASMILES C1=CC(=CC=C1CCC(=O)O)O DR2359 CAS__NUM CAS 501-97-3 DR2359 CHEBINUM 32980 DR2364 DRUG__ID DR2364 DR2364 DRUGNAME Doxylamine succinate DR2364 PUBCMCID 11224 DR2364 DFORMULA C21H28N2O5 DR2364 INCHIKEY KBAUFVUYFNWQFM-UHFFFAOYSA-N DR2364 DRUINCHI 1S/C17H22N2O.C4H6O4/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16;5-3(6)1-2-4(7)8/h4-12H,13-14H2,1-3H3;1-2H2,(H,5,6)(H,7,8) DR2364 CASMILES CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.C(CC(=O)O)C(=O)O DR2364 CAS__NUM CAS 562-10-7 DR2364 CHEBINUM 82461 DR2367 DRUG__ID DR2367 DR2367 DRUGNAME Lactulose DR2367 PUBCMCID 11333 DR2367 DFORMULA C12H22O11 DR2367 INCHIKEY JCQLYHFGKNRPGE-FCVZTGTOSA-N DR2367 DRUINCHI 1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12-/m1/s1 DR2367 CASMILES C(C1C(C(C(C(O1)OC2C(OC(C2O)(CO)O)CO)O)O)O)O DR2367 CAS__NUM CAS 4618-18-2 DR2367 CHEBINUM 6359 DR2373 DRUG__ID DR2373 DR2373 DRUGNAME Ethyl gallate DR2373 PUBCMCID 13250 DR2373 TTDRUGID D06CPD DR2373 DFORMULA C9H10O5 DR2373 INCHIKEY VFPFQHQNJCMNBZ-UHFFFAOYSA-N DR2373 DRUINCHI 1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3 DR2373 CASMILES CCOC(=O)C1=CC(=C(C(=C1)O)O)O DR2373 CAS__NUM CAS 831-61-8 DR2373 CHEBINUM 87247 DR2374 DRUG__ID DR2374 DR2374 DRUGNAME LS-187709 DR2374 PUBCMCID 13802 DR2374 DFORMULA C24H31FO6 DR2374 INCHIKEY AKUJBENLRBOFTD-QQLPIYHSSA-N DR2374 DRUINCHI 1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17?,18-,19-,21?,22?,23-,24-/m0/s1 DR2374 CASMILES CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C)O)C)O)F)C DR2377 DRUG__ID DR2377 DR2377 DRUGNAME Dinoterb DR2377 PUBCMCID 14994 DR2377 DFORMULA C10H12N2O5 DR2377 INCHIKEY IIPZYDQGBIWLBU-UHFFFAOYSA-N DR2377 DRUINCHI 1S/C10H12N2O5/c1-10(2,3)7-4-6(11(14)15)5-8(9(7)13)12(16)17/h4-5,13H,1-3H3 DR2377 CASMILES CC(C)(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O DR2377 CAS__NUM CAS 1420-07-1 DR2377 CHEBINUM 81883 DR2378 DRUG__ID DR2378 DR2378 DRUGNAME Metaxalone DR2378 PUBCMCID 15459 DR2378 TTDRUGID D0S5CH DR2378 DFORMULA C12H15NO3 DR2378 INCHIKEY IMWZZHHPURKASS-UHFFFAOYSA-N DR2378 DRUINCHI 1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14) DR2378 CASMILES CC1=CC(=CC(=C1)OCC2CNC(=O)O2)C DR2378 CAS__NUM CAS 1665-48-1 DR2378 CHEBINUM 6797 DR2378 PUBCMSID 10136; 223524; 443232; 5454948; 7847838; 8161614; 10510116; 11341927; 11362110; 11364635; 11367197; 11369759; 11372770; 11374303; 11377921; 11484331; 11487512; 11488364; 11491481; 11492427; 11495555; 14797958; 26612681; 26679615; 26748938; 26748939; 29283414; 46506253; 47217064; 47217065; 47440556; 48416228; 50001705; 50107490; 57329020; 78100200; 81041143; 85787981; 92124711; 92307892; 99358106; 103737291; 104337209; 117601598; 124637427; 125342557; 126652570; 126691493; 128190925; 131301288 DR2379 DRUG__ID DR2379 DR2379 DRUGNAME Spectinomycin DR2379 PUBCMCID 15541 DR2379 DFORMULA C14H24N2O7 DR2379 INCHIKEY UNFWWIHTNXNPBV-WXKVUWSESA-N DR2379 DRUINCHI 1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1 DR2379 CASMILES CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O DR2379 CAS__NUM CAS 1695-77-8 DR2379 CHEBINUM 9215 DR2381 DRUG__ID DR2381 DR2381 DRUGNAME Betamethasone valerate DR2381 PUBCMCID 16533 DR2381 TTDRUGID D03SXE DR2381 DFORMULA C27H37FO6 DR2381 INCHIKEY SNHRLVCMMWUAJD-SUYDQAKGSA-N DR2381 DRUINCHI 1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1 DR2381 CASMILES CCCCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)CO DR2381 CAS__NUM CAS 2152-44-5 DR2381 CHEBINUM 31277 DR2382 DRUG__ID DR2382 DR2382 DRUGNAME HSDB-595 DR2382 PUBCMCID 16590 DR2382 DFORMULA C6H10S2 DR2382 INCHIKEY PFRGXCVKLLPLIP-UHFFFAOYSA-N DR2382 DRUINCHI 1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2 DR2382 CASMILES C=CCSSCC=C DR2382 CAS__NUM CAS 2179-57-9 DR2382 CHEBINUM 4488 DR2384 DRUG__ID DR2384 DR2384 DRUGNAME CERC-803 DR2384 PUBCMCID 17106 DR2384 DFORMULA C6H12O5 DR2384 INCHIKEY SHZGCJCMOBCMKK-DHVFOXMCSA-N DR2384 DRUINCHI 1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1 DR2384 CASMILES CC1C(C(C(C(O1)O)O)O)O DR2384 CAS__NUM CAS 87-96-7 DR2384 CHEBINUM 2181 DR2385 DRUG__ID DR2385 DR2385 DRUGNAME Diacetamate DR2385 PUBCMCID 17499 DR2385 DFORMULA C10H11NO3 DR2385 INCHIKEY UJAOSPFULOFZRR-UHFFFAOYSA-N DR2385 DRUINCHI 1S/C10H11NO3/c1-7(12)11-9-3-5-10(6-4-9)14-8(2)13/h3-6H,1-2H3,(H,11,12) DR2385 CASMILES CC(=O)NC1=CC=C(C=C1)OC(=O)C DR2385 CAS__NUM CAS 2623-33-8 DR2387 DRUG__ID DR2387 DR2387 DRUGNAME Streptomycin DR2387 PUBCMCID 19649 DR2387 DFORMULA C21H39N7O12 DR2387 INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N DR2387 DRUINCHI 1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1 DR2387 CASMILES CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(C=O)O DR2387 CAS__NUM CAS 57-92-1 DR2387 CHEBINUM 17076 DR2389 DRUG__ID DR2389 DR2389 DRUGNAME Buramate DR2389 PUBCMCID 20787 DR2389 DFORMULA C10H13NO3 DR2389 INCHIKEY YFLRYAVDPKONNX-UHFFFAOYSA-N DR2389 DRUINCHI 1S/C10H13NO3/c12-6-7-14-10(13)11-8-9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H,11,13) DR2389 CASMILES C1=CC=C(C=C1)CNC(=O)OCCO DR2389 CAS__NUM CAS 4663-83-6 DR2389 CHEBINUM 134851 DR2390 DRUG__ID DR2390 DR2390 DRUGNAME Carbenicillin DR2390 PUBCMCID 20824 DR2390 TTDRUGID D02TBI DR2390 DFORMULA C17H18N2O6S DR2390 INCHIKEY FPPNZSSZRUTDAP-UWFZAAFLSA-N DR2390 DRUINCHI 1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9?,10-,11+,14-/m1/s1 DR2390 CASMILES CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)C(=O)O)C DR2390 CAS__NUM CAS 4697-36-3 DR2390 CHEBINUM 3393 DR2390 PUBCMSID 9086; 627894; 7978856; 8165376; 11335910; 11361149; 11362932; 11365494; 11368056; 11371251; 11373865; 11376218; 11462121; 11483876; 11487936; 11490142; 11492078; 11493912; 15473829; 24892425; 29288280; 46505653; 47291156; 47291157; 47365209; 49989747; 51091923; 57269586; 57330741; 80836758; 103367425; 104351630; 117541839; 124766269; 127881318; 134224920; 134337734; 134984809; 137188655; 137928221; 160963923; 162528665; 175442173; 179039521; 210279689; 210282012; 223671033; 226395569; 252347012; 252478098 DR2392 DRUG__ID DR2392 DR2392 DRUGNAME Camylofine dihydrochloride DR2392 PUBCMCID 22182 DR2392 DFORMULA C19H34Cl2N2O2 DR2392 INCHIKEY ZHRVNCCPAKIGRH-UHFFFAOYSA-N DR2392 DRUINCHI 1S/C19H32N2O2.2ClH/c1-5-21(6-2)14-13-20-18(17-10-8-7-9-11-17)19(22)23-15-12-16(3)4;;/h7-11,16,18,20H,5-6,12-15H2,1-4H3;2*1H DR2392 CASMILES CC[NH+](CC)CC[NH2+]C(C1=CC=CC=C1)C(=O)OCCC(C)C.[Cl-].[Cl-] DR2392 CAS__NUM CAS 5892-41-1 DR2394 DRUG__ID DR2394 DR2394 DRUGNAME SC-47085 DR2394 PUBCMCID 22419 DR2394 DFORMULA C14H10N2O6 DR2394 INCHIKEY QQBDLJCYGRGAKP-UHFFFAOYSA-N DR2394 DRUINCHI 1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22) DR2394 CASMILES C1=CC(=C(C=C1N=NC2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O DR2394 CAS__NUM CAS 15722-48-2 DR2394 CHEBINUM 7770 DR2399 DRUG__ID DR2399 DR2399 DRUGNAME Phytanic acid DR2399 PUBCMCID 26840 DR2399 TTDRUGID D05JXE DR2399 DFORMULA C20H40O2 DR2399 INCHIKEY RLCKHJSFHOZMDR-UHFFFAOYSA-N DR2399 DRUINCHI 1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22) DR2399 CASMILES CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)O DR2399 CAS__NUM CAS 14721-66-5 DR2399 CHEBINUM 16285 DR2399 PUBCMSID 4760; 408060; 5028492; 8143449; 8169407; 14752296; 24898502; 34669433; 50270998; 53787377; 57310327; 85088771; 104298406; 125334886; 125817226; 125817276; 126523582; 127271088; 127271089; 127271090; 127271091; 129144951; 134990279; 135651546; 137005425; 142113091; 162093649; 163241158; 184585448; 220230669; 224034687; 226399192; 250133392; 252457695; 252468936 DR2400 DRUG__ID DR2400 DR2400 DRUGNAME Levamisole DR2400 PUBCMCID 26879 DR2400 TTDRUGID D0CF2Q DR2400 DFORMULA C11H12N2S DR2400 INCHIKEY HLFSDGLLUJUHTE-SNVBAGLBSA-N DR2400 DRUINCHI 1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m1/s1 DR2400 CASMILES C1CSC2=NC(CN21)C3=CC=CC=C3 DR2400 CAS__NUM CAS 14769-73-4 DR2400 CHEBINUM 6432 DR2400 PUBCMSID 9282; 602395; 7979761; 8169434; 10322011; 11335842; 11361081; 11364503; 11367065; 11369627; 11371883; 11374574; 11377789; 11405871; 11462053; 11466210; 11467330; 11484645; 11485760; 11488681; 11490777; 11492892; 11495423; 14748767; 15171780; 34669469; 46509052; 47440260; 47589003; 47736487; 47736488; 48035125; 48416165; 49761633; 49831041; 49981671; 50111118; 53790505; 56313649; 56313755; 57310333; 76000434; 85789251; 85860304; 90341409; 92309280; 92717075; 93166530; 96024804; 103523408 DR2401 DRUG__ID DR2401 DR2401 DRUGNAME Danazol DR2401 PUBCMCID 28417 DR2401 TTDRUGID D09IPV DR2401 DFORMULA C22H27NO2 DR2401 INCHIKEY POZRVZJJTULAOH-LHZXLZLDSA-N DR2401 DRUINCHI 1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1 DR2401 CASMILES CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5 DR2401 CAS__NUM CAS 17230-88-5 DR2401 CHEBINUM 4315 DR2401 PUBCMSID 9153; 224349; 7847355; 7979022; 8170371; 10321251; 11466133; 11467253; 11485765; 12161772; 14777802; 14851335; 25632846; 26757819; 34670864; 46506475; 47277002; 47425698; 47945219; 47945220; 48415840; 49648394; 49698347; 50019507; 50085994; 50124387; 51053748; 53786945; 56313739; 56352871; 57310643; 85787851; 92125056; 92309018; 92712533; 103543149; 103913731; 104170055; 104302674; 117391787; 117393544; 121362575; 121362727; 123055285; 124799906; 124893625; 126524663; 126630088; 127346804; 127346805 DR2403 DRUG__ID DR2403 DR2403 DRUGNAME Fludarabine phosphate DR2403 PUBCMCID 30751 DR2403 TTDRUGID D0TO2R DR2403 DFORMULA C10H13FN5O7P DR2403 INCHIKEY GIUYCYHIANZCFB-FJFJXFQQSA-N DR2403 DRUINCHI 1S/C10H13FN5O7P/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,14,15)(H2,19,20,21)/t3-,5-,6+,9-/m1/s1 DR2403 CASMILES C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)COP(=O)(O)O)O)O)F)N DR2403 CAS__NUM CAS 75607-67-9 DR2403 CHEBINUM 63599 DR2407 DRUG__ID DR2407 DR2407 DRUGNAME AS-12141 DR2407 PUBCMCID 35717 DR2407 DFORMULA C8H15NO6 DR2407 INCHIKEY OVRNDRQMDRJTHS-KEWYIRBNSA-N DR2407 DRUINCHI 1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8?/m1/s1 DR2407 CASMILES CC(=O)NC1C(C(C(OC1O)CO)O)O DR2407 CAS__NUM CAS 1136-42-1 DR2407 CHEBINUM 28037 DR2408 DRUG__ID DR2408 DR2408 DRUGNAME Sisomicin DR2408 PUBCMCID 36119 DR2408 DFORMULA C19H37N5O7 DR2408 INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N DR2408 DRUINCHI 1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1 DR2408 CASMILES CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CN)N)N)N)O DR2408 CAS__NUM CAS 32385-11-8 DR2408 CHEBINUM 9169 DR2409 DRUG__ID DR2409 DR2409 DRUGNAME Ticarcillin DR2409 PUBCMCID 36921 DR2409 TTDRUGID D08USU DR2409 DFORMULA C15H16N2O6S2 DR2409 INCHIKEY OHKOGUYZJXTSFX-KZFFXBSXSA-N DR2409 DRUINCHI 1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8-,9+,12-/m1/s1 DR2409 CASMILES CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CSC=C3)C(=O)O)C(=O)O)C DR2409 CAS__NUM CAS 34787-01-4 DR2409 CHEBINUM 9587 DR2409 PUBCMSID 9348; 7980792; 8174722; 11467095; 11468215; 11486703; 14756115; 24850647; 34678270; 46505959; 48259405; 48416627; 50064711; 50260758; 57269562; 96025277; 103516898; 104325158; 117541835; 124766433; 126663868; 135000353; 136102420; 137128407; 143493268; 152034275; 152242912; 160964844; 162181262; 175265320; 175442309; 179296067; 223668334; 226420551; 252122152; 252358720; 252359051 DR2410 DRUG__ID DR2410 DR2410 DRUGNAME Piperacillin DR2410 PUBCMCID 43672 DR2410 TTDRUGID D04ZAH DR2410 DFORMULA C23H27N5O7S DR2410 INCHIKEY IVBHGBMCVLDMKU-GXNBUGAJSA-N DR2410 DRUINCHI 1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1 DR2410 CASMILES CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O DR2410 CAS__NUM CAS 66258-76-2 DR2410 CHEBINUM 8232 DR2410 PUBCMSID 854275; 7835955; 7980328; 8178297; 11466783; 11467903; 11486445; 14860547; 14885009; 34709064; 46504757; 47216691; 47736382; 47959647; 48035016; 48416441; 50050723; 50953976; 53786998; 57312854; 58106750; 85788489; 92309155; 93166325; 96025066; 104098277; 104234163; 104342936; 117541876; 124766128; 126685780; 127341075; 127341076; 127341077; 131465223; 134338409; 135006048; 135951164; 137248591; 140093228; 142043554; 163403896; 163846739; 164232663; 164814522; 175266788; 175442177; 176484439; 179116854; 185975394 DR2412 DRUG__ID DR2412 DR2412 DRUGNAME Pergolide mesylate DR2412 PUBCMCID 47812 DR2412 DFORMULA C20H30N2O3S2 DR2412 INCHIKEY UWCVGPLTGZWHGS-ZORIOUSZSA-N DR2412 DRUINCHI 1S/C19H26N2S.CH4O3S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21;1-5(2,3)4/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3;1H3,(H,2,3,4)/t13-,16-,18-;/m1./s1 DR2412 CASMILES CCCN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CSC.CS(=O)(=O)O DR2412 CAS__NUM CAS 66104-23-2 DR2412 CHEBINUM 8021 DR2413 DRUG__ID DR2413 DR2413 DRUGNAME Cefadroxil DR2413 PUBCMCID 47965 DR2413 TTDRUGID D0X9ZC DR2413 DFORMULA C16H17N3O5S DR2413 INCHIKEY BOEGTKLJZSQCCD-UEKVPHQBSA-N DR2413 DRUINCHI 1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1 DR2413 CASMILES CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O DR2413 CAS__NUM CAS 66592-87-8 DR2413 CHEBINUM 3479 DR2413 PUBCMSID 9095; 7847323; 7978892; 8149235; 10990583; 11335584; 11360823; 11362958; 11365520; 11368082; 11373871; 11376244; 11461795; 11466462; 11467582; 11483750; 11486123; 11487903; 11492081; 11493918; 14852631; 16050996; 24892921; 25622160; 34712894; 46509128; 47440185; 47515253; 47515254; 47959665; 48035040; 48334422; 48415709; 49699087; 50124273; 57654040; 75439952; 85279381; 87322627; 90451718; 92125414; 93576133; 93576712; 99301497; 103620148; 103914339; 104133801; 104354273; 121363085; 124766005 DR2414 DRUG__ID DR2414 DR2414 DRUGNAME Balsalazide DR2414 PUBCMCID 54585 DR2414 DFORMULA C17H15N3O6 DR2414 INCHIKEY IPOKCKJONYRRHP-UHFFFAOYSA-N DR2414 DRUINCHI 1S/C17H15N3O6/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26) DR2414 CASMILES C1=CC(=CC=C1C(=O)NCCC(=O)O)N=NC2=CC(=C(C=C2)O)C(=O)O DR2414 CAS__NUM CAS 80573-04-2 DR2414 CHEBINUM 267413 DR2415 DRUG__ID DR2415 DR2415 DRUGNAME Quinapril DR2415 PUBCMCID 54892 DR2415 TTDRUGID D0I7SZ DR2415 DFORMULA C25H30N2O5 DR2415 INCHIKEY JSDRRTOADPPCHY-HSQYWUDLSA-N DR2415 DRUINCHI 1S/C25H30N2O5/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30)/t17-,21-,22-/m0/s1 DR2415 CASMILES CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O DR2415 CAS__NUM CAS 85441-61-8 DR2415 CHEBINUM 8713 DR2415 PUBCMSID 9602; 7980446; 8145927; 8149893; 8183841; 11335885; 11361124; 11364491; 11367053; 11369615; 11372621; 11374133; 11377777; 11462096; 11484485; 11488641; 11491366; 11492542; 11495411; 14759220; 14881354; 17397841; 34718828; 46506309; 47589015; 48035134; 48259244; 48416506; 49835285; 50065313; 50113005; 50113006; 50744269; 85787397; 92309221; 93166955; 99301798; 103590286; 104306102; 117576967; 121264493; 124893433; 126683866; 127334979; 127334980; 127334981; 127334982; 127334983; 127334984; 127334985 DR2416 DRUG__ID DR2416 DR2416 DRUGNAME D-lactic acid DR2416 PUBCMCID 61503 DR2416 TTDRUGID D0DA9T DR2416 DFORMULA C3H6O3 DR2416 INCHIKEY JVTAAEKCZFNVCJ-UWTATZPHSA-N DR2416 DRUINCHI 1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1 DR2416 CASMILES CC(C(=O)O)O DR2416 CAS__NUM CAS 79-33-4 DR2416 CHEBINUM 42111 DR2416 PUBCMSID 3555; 584618; 830897; 841761; 7887063; 8187556; 15119659; 17422462; 24277150; 24877806; 24889912; 24890061; 24890158; 24896259; 24898218; 26697263; 26750213; 43118764; 46504203; 46505582; 46505962; 51026136; 57314410; 57653568; 57653643; 57653681; 85165074; 85285983; 91699006; 102851572; 103383632; 104179373; 104323513; 124954527; 125003340; 125003346; 126523953; 126674611; 127318856; 127318857; 128334456; 132628374; 135017738; 135651476; 137002793; 140074716; 143491644; 144211160; 152222664; 152239946 DR2420 DRUG__ID DR2420 DR2420 DRUGNAME Secoisolariciresinol DR2420 PUBCMCID 65373 DR2420 DFORMULA C20H26O6 DR2420 INCHIKEY PUETUDUXMCLALY-HOTGVXAUSA-N DR2420 DRUINCHI 1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1 DR2420 CASMILES COC1=C(C=CC(=C1)CC(CO)C(CC2=CC(=C(C=C2)O)OC)CO)O DR2420 CAS__NUM CAS 29388-59-8 DR2420 CHEBINUM 65004 DR2421 DRUG__ID DR2421 DR2421 DRUGNAME Milnacipran DR2421 PUBCMCID 65833 DR2421 DFORMULA C15H22N2O DR2421 INCHIKEY GJJFMKBJSRMPLA-HIFRSBDPSA-N DR2421 DRUINCHI 1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m1/s1 DR2421 CASMILES CCN(CC)C(=O)C1(CC1CN)C2=CC=CC=C2 DR2421 CAS__NUM CAS 92623-85-3 DR2421 CHEBINUM 94468 DR2422 DRUG__ID DR2422 DR2422 DRUGNAME Azetirelin DR2422 PUBCMCID 65841 DR2422 TTDRUGID D02QBT DR2422 DFORMULA C15H20N6O4 DR2422 INCHIKEY WBGUMUGCONUXFK-DCAQKATOSA-N DR2422 DRUINCHI 1S/C15H20N6O4/c16-13(23)11-2-1-3-21(11)15(25)10(4-8-6-17-7-18-8)20-14(24)9-5-12(22)19-9/h6-7,9-11H,1-5H2,(H2,16,23)(H,17,18)(H,19,22)(H,20,24)/t9-,10-,11-/m0/s1 DR2422 CASMILES C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C3CC(=O)N3)C(=O)N DR2422 CAS__NUM CAS 95729-65-0 DR2423 DRUG__ID DR2423 DR2423 DRUGNAME Pidotimod DR2423 PUBCMCID 65944 DR2423 DFORMULA C9H12N2O4S DR2423 INCHIKEY UUTKICFRNVKFRG-WDSKDSINSA-N DR2423 DRUINCHI 1S/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)/t5-,6-/m0/s1 DR2423 CASMILES C1CC(=O)NC1C(=O)N2CSCC2C(=O)O DR2423 CAS__NUM CAS 121808-62-6 DR2423 CHEBINUM 94618 DR2426 DRUG__ID DR2426 DR2426 DRUGNAME Prontosil DR2426 PUBCMCID 66895 DR2426 DFORMULA C12H13N5O2S DR2426 INCHIKEY ABBQGOCHXSPKHJ-UHFFFAOYSA-N DR2426 DRUINCHI 1S/C12H13N5O2S/c13-8-1-6-12(11(14)7-8)17-16-9-2-4-10(5-3-9)20(15,18)19/h1-7H,13-14H2,(H2,15,18,19) DR2426 CASMILES C1=CC(=CC=C1N=NC2=C(C=C(C=C2)N)N)S(=O)(=O)N DR2426 CAS__NUM CAS 103-12-8 DR2426 CHEBINUM 8464 DR2429 DRUG__ID DR2429 DR2429 DRUGNAME Diflorasone diacetate DR2429 PUBCMCID 71414 DR2429 TTDRUGID D0G7KJ DR2429 DFORMULA C26H32F2O7 DR2429 INCHIKEY BOBLHFUVNSFZPJ-JOYXJVLSSA-N DR2429 DRUINCHI 1S/C26H32F2O7/c1-13-8-17-18-10-20(27)19-9-16(31)6-7-23(19,4)25(18,28)21(32)11-24(17,5)26(13,35-15(3)30)22(33)12-34-14(2)29/h6-7,9,13,17-18,20-21,32H,8,10-12H2,1-5H3/t13-,17-,18-,20-,21-,23-,24-,25-,26-/m0/s1 DR2429 CASMILES CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C)OC(=O)C)C)O)F)C)F DR2429 CAS__NUM CAS 2557-49-5 DR2429 CHEBINUM 31483 DR2429 PUBCMSID 855657; 7848390; 8194611; 11466647; 11467767; 11486513; 14761903; 24894203; 29215002; 43127743; 47365371; 47589149; 47736650; 48035306; 49699029; 50019411; 50103984; 56422226; 57318190; 57654135; 71840216; 76963292; 85787968; 92125524; 92720069; 99319112; 103770528; 103914477; 104350411; 117575834; 121363195; 124799710;126620401; 131310944; 134338429; 135030323; 136135911; 137005254; 139836966; 144115906; 144204426; 160963571; 163134097; 163835798; 164822906; 170465294; 175268136; 175611936; 178103647; 179116650 DR2431 DRUG__ID DR2431 DR2431 DRUGNAME Secnidazole DR2431 PUBCMCID 71815 DR2431 TTDRUGID D0V5IW DR2431 DFORMULA C7H11N3O3 DR2431 INCHIKEY KPQZUUQMTUIKBP-UHFFFAOYSA-N DR2431 DRUINCHI 1S/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3 DR2431 CASMILES CC1=NC=C(N1CC(C)O)[N+](=O)[O-] DR2431 CAS__NUM CAS 3366-95-8 DR2431 CHEBINUM 140628 DR2433 DRUG__ID DR2433 DR2433 DRUGNAME Ipsalazide DR2433 PUBCMCID 72003 DR2433 DFORMULA C16H13N3O6 DR2433 INCHIKEY CQSRTOJJBONKMC-UHFFFAOYSA-N DR2433 DRUINCHI 1S/C16H13N3O6/c20-13-6-5-11(7-12(13)16(24)25)19-18-10-3-1-9(2-4-10)15(23)17-8-14(21)22/h1-7,20H,8H2,(H,17,23)(H,21,22)(H,24,25) DR2433 CASMILES C1=CC(=CC=C1C(=O)NCC(=O)O)N=NC2=CC(=C(C=C2)O)C(=O)O DR2433 CAS__NUM CAS 80573-03-1 DR2435 DRUG__ID DR2435 DR2435 DRUGNAME Isoflavone DR2435 PUBCMCID 72304 DR2435 DFORMULA C15H10O2 DR2435 INCHIKEY GOMNOOKGLZYEJT-UHFFFAOYSA-N DR2435 DRUINCHI 1S/C15H10O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-10H DR2435 CASMILES C1=CC=C(C=C1)C2=COC3=CC=CC=C3C2=O DR2435 CAS__NUM CAS 574-12-9 DR2435 CHEBINUM 18220 DR2436 DRUG__ID DR2436 DR2436 DRUGNAME Rizatriptan benzoate DR2436 PUBCMCID 77997 DR2436 DFORMULA C22H25N5O2 DR2436 INCHIKEY JPRXYLQNJJVCMZ-UHFFFAOYSA-N DR2436 DRUINCHI 1S/C15H19N5.C7H6O2/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20;8-7(9)6-4-2-1-3-5-6/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3;1-5H,(H,8,9) DR2436 CASMILES CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3.C1=CC=C(C=C1)C(=O)O DR2436 CAS__NUM CAS 145202-66-0 DR2436 CHEBINUM 8875 DR2437 DRUG__ID DR2437 DR2437 DRUGNAME Trimetazidine dihydrochloride DR2437 PUBCMCID 83201 DR2437 TTDRUGID D0Q4YI DR2437 DFORMULA C14H24Cl2N2O3 DR2437 INCHIKEY VYFLPFGUVGMBEP-UHFFFAOYSA-N DR2437 DRUINCHI 1S/C14H22N2O3.2ClH/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16;;/h4-5,15H,6-10H2,1-3H3;2*1H DR2437 CASMILES COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC.Cl.Cl DR2437 CAS__NUM CAS 5011-34-7 DR2437 CHEBINUM 32262 DR2438 DRUG__ID DR2438 DR2438 DRUGNAME Orphenadrine citrate DR2438 PUBCMCID 83823 DR2438 DFORMULA C24H31NO8 DR2438 INCHIKEY MMMNTDFSPSQXJP-UHFFFAOYSA-N DR2438 DRUINCHI 1S/C18H23NO.C6H8O7/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-12,18H,13-14H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) DR2438 CASMILES CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O DR2438 CAS__NUM CAS 4682-36-4 DR2438 CHEBINUM 7790 DR2439 DRUG__ID DR2439 DR2439 DRUGNAME CCG-208408 DR2439 PUBCMCID 85704 DR2439 DFORMULA C27H32O14 DR2439 INCHIKEY HXTFHSYLYXVTHC-UHFFFAOYSA-N DR2439 DRUINCHI 1S/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3 DR2439 CASMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)O)O)O)O)O)O DR2439 CAS__NUM CAS 14259-46-2 DR2441 DRUG__ID DR2441 DR2441 DRUGNAME K-6015 DR2441 PUBCMCID 88687 DR2441 DFORMULA C16H24O6 DR2441 INCHIKEY GKQGIQVSMCHAFX-IBEHDNSVSA-N DR2441 DRUINCHI 1S/C16H24O6/c1-8(2)10-5-4-9(3)6-11(10)21-16-15(20)14(19)13(18)12(7-17)22-16/h4-6,8,12-20H,7H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1 DR2441 CASMILES CC1=CC(=C(C=C1)C(C)C)OC2C(C(C(C(O2)CO)O)O)O DR2441 CAS__NUM CAS 20772-23-0 DR2442 DRUG__ID DR2442 DR2442 DRUGNAME BCP-13538 DR2442 PUBCMCID 90010 DR2442 TTDRUGID D09VBC DR2442 DFORMULA C26H39NO10 DR2442 INCHIKEY AKJDEXBCRLOVTH-UHFFFAOYSA-N DR2442 DRUINCHI 1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3 DR2442 CASMILES CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O DR2442 CAS__NUM CAS 77-23-6 DR2442 CHEBINUM 31352 DR2443 DRUG__ID DR2443 DR2443 DRUGNAME AUS-131 DR2443 PUBCMCID 91469 DR2443 DFORMULA C15H14O3 DR2443 INCHIKEY ADFCQWZHKCXPAJ-GFCCVEGCSA-N DR2444 DRUG__ID DR2444 DR2444 DRUGNAME MUG trihydrate DR2444 PUBCMCID 91553 DR2444 DFORMULA C16H16O9 DR2444 INCHIKEY ARQXEQLMMNGFDU-JHZZJYKESA-N DR2444 DRUINCHI 1S/C16H16O9/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)/t11-,12-,13+,14-,16+/m0/s1 DR2444 CASMILES CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)C(=O)O)O)O)O DR2444 CAS__NUM CAS 6160-80-1 DR2444 CHEBINUM 1904 DR2447 DRUG__ID DR2447 DR2447 DRUGNAME Imipenem DR2447 PUBCMCID 104838 DR2447 TTDRUGID D0H3TD DR2447 DFORMULA C12H17N3O4S DR2447 INCHIKEY ZSKVGTPCRGIANV-ZXFLCMHBSA-N DR2447 DRUINCHI 1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/m1/s1 DR2447 CASMILES CC(C1C2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O DR2447 CAS__NUM CAS 74431-23-5 DR2447 CHEBINUM 51799 DR2447 PUBCMSID 8890; 534389; 602889; 7979598; 10321787; 11466547; 11467667; 11486134; 15023235; 44434434; 46505744; 47349465; 47720707; 48094640; 48394036; 48416102; 49698536; 50112997; 50112998; 51091233; 57337871; 57394174; 78739513; 87322658; 90341794; 92125443; 92309011; 92719338; 93166844; 103071257; 103083352; 103204227; 103914272; 103980020; 104179221; 104373052; 119525091; 121360964; 121363114; 124766027; 126620895; 126655539; 129948482; 134222478; 134337754; 135007278; 135693794; 137117254; 142145336; 144076231 DR2448 DRUG__ID DR2448 DR2448 DRUGNAME Nitrosoglutathione DR2448 PUBCMCID 104858 DR2448 DFORMULA C10H16N4O7S DR2448 INCHIKEY HYHSBSXUHZOYLX-WDSKDSINSA-N DR2448 DRUINCHI 1S/C10H16N4O7S/c11-5(10(19)20)1-2-7(15)13-6(4-22-14-21)9(18)12-3-8(16)17/h5-6H,1-4,11H2,(H,12,18)(H,13,15)(H,16,17)(H,19,20)/t5-,6-/m0/s1 DR2448 CASMILES C(CC(=O)NC(CSN=O)C(=O)NCC(=O)O)C(C(=O)O)N DR2448 CAS__NUM CAS 57564-91-7 DR2448 CHEBINUM 50091 DR2449 DRUG__ID DR2449 DR2449 DRUGNAME DB-053072 DR2449 PUBCMCID 107735 DR2449 DFORMULA C3H3O3- DR2449 INCHIKEY LCTONWCANYUPML-UHFFFAOYSA-M DR2449 DRUINCHI 1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1 DR2449 CASMILES CC(=O)C(=O)[O-] DR2449 CAS__NUM CAS 57-60-3 DR2449 CHEBINUM 15361 DR2450 DRUG__ID DR2450 DR2450 DRUGNAME Racecadotril DR2450 PUBCMCID 107751 DR2450 DFORMULA C21H23NO4S DR2450 INCHIKEY ODUOJXZPIYUATO-UHFFFAOYSA-N DR2450 DRUINCHI 1S/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25) DR2450 CASMILES CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)OCC2=CC=CC=C2 DR2450 CAS__NUM CAS 81110-73-8 DR2450 CHEBINUM 91508 DR2451 DRUG__ID DR2451 DR2451 DRUGNAME Benzyloxyresorufin DR2451 PUBCMCID 114982 DR2451 DFORMULA C19H13NO3 DR2451 INCHIKEY XNZRYTITWLGTJS-UHFFFAOYSA-N DR2451 DRUINCHI 1S/C19H13NO3/c21-14-6-8-16-18(10-14)23-19-11-15(7-9-17(19)20-16)22-12-13-4-2-1-3-5-13/h1-11H,12H2 DR2451 CASMILES C1=CC=C(C=C1)COC2=CC3=C(C=C2)N=C4C=CC(=O)C=C4O3 DR2451 CAS__NUM CAS 87687-02-3 DR2452 DRUG__ID DR2452 DR2452 DRUGNAME Ginsenoside Rh2 DR2452 PUBCMCID 119307 DR2452 DFORMULA C36H62O8 DR2452 INCHIKEY CKUVNOCSBYYHIS-IRFFNABBSA-N DR2452 DRUINCHI 1S/C36H62O8/c1-20(2)10-9-14-36(8,42)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(32(3,4)24(33)12-17-34(25,35)6)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31-,33-,34+,35+,36-/m0/s1 DR2452 CASMILES CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)O)C)O)C DR2452 CAS__NUM CAS 78214-33-2 DR2452 CHEBINUM 77147 DR2453 DRUG__ID DR2453 DR2453 DRUGNAME Tazobactam DR2453 PUBCMCID 123630 DR2453 TTDRUGID D0QQ7D DR2453 DFORMULA C10H12N4O5S DR2453 INCHIKEY LPQZKKCYTLCDGQ-WEDXCCLWSA-N DR2453 DRUINCHI 1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 DR2453 CASMILES CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3 DR2453 CAS__NUM CAS 89786-04-9 DR2453 CHEBINUM 9421 DR2453 PUBCMSID 9973; 584542; 604755; 7847726; 7890688; 7980730; 10240806; 14751709; 16012340; 29303858; 46508088; 48416593; 50192512; 90444495; 92711477; 93166370; 103163870; 103949887; 104418948; 126630815; 126657306; 131329684; 134338202; 135693792; 135841765; 137248595; 137981849; 152100220; 160964843; 162009787; 164196449; 175267759; 175607558; 177749299; 179316265; 184544899; 184816524; 196106439; 198993457; 223438269; 223554784; 223684636; 223703155; 224294474; 226493626; 241152814; 249868384; 251912318; 251916632; 252074045 DR2455 DRUG__ID DR2455 DR2455 DRUGNAME Olmesartan medoxomil DR2455 PUBCMCID 130881 DR2455 TTDRUGID D07UBG DR2455 DFORMULA C29H30N6O6 DR2455 INCHIKEY UQGKUQLKSCSZGY-UHFFFAOYSA-N DR2455 DRUINCHI 1S/C29H30N6O6/c1-5-8-23-30-25(29(3,4)38)24(27(36)39-16-22-17(2)40-28(37)41-22)35(23)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26-31-33-34-32-26/h6-7,9-14,38H,5,8,15-16H2,1-4H3,(H,31,32,33,34) DR2455 CASMILES CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O DR2455 CAS__NUM CAS 144689-63-4 DR2455 CHEBINUM 31932 DR2455 PUBCMSID 7300489; 7848267; 10242742; 11364900; 11367462; 11370024; 11372810; 11374179; 11378194; 11484167; 11488322;11491491; 11492555; 11495758; 11528908; 12014934; 14935211; 26612826; 26681017; 26748978; 26748979; 29309387; 48185250; 48334789; 53789233; 57343590; 78528258; 81040868; 81092830; 85209756; 85787984;92124799; 92308046; 92308894; 92713789; 93302267; 93815139; 103770675; 104253234; 104373834; 124637431; 124757358; 124891848; 125164162; 125311925; 125341111; 126624592; 126655597; 126655871; 126669975 DR2456 DRUG__ID DR2456 DR2456 DRUGNAME Levofloxacin DR2456 PUBCMCID 149096 DR2456 TTDRUGID D02RSN DR2456 DFORMULA C18H20FN3O4 DR2456 INCHIKEY GSDSWSVVBLHKDQ-JTQLQIEISA-N DR2456 DRUINCHI 1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1 DR2456 CASMILES CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O DR2456 CAS__NUM CAS 100986-85-4 DR2456 CHEBINUM 63598 DR2456 PUBCMSID 9862; 598046; 7979773; 10250227; 11364613; 11367175; 11369737; 11372008; 11374743; 11377899; 11485627; 11489492; 11490810; 11492937; 11495533; 11528725; 12014081; 14876841; 14901428; 24857060; 26612693; 26680408; 26719895; 46225907; 46386771; 46505134; 48185231; 48334772; 49665952; 49681682; 50064059; 50123181; 56314311; 57346857; 57648297; 76034622; 85261747; 85789483; 87558890; 89736102; 92124751; 92307928; 92308354; 92309286; 92710579; 96024810; 103165325; 104052737; 104179033; 104253435 DR2457 DRUG__ID DR2457 DR2457 DRUGNAME Ertapenem DR2457 PUBCMCID 150610 DR2457 TTDRUGID D0Q1MS DR2457 DFORMULA C22H25N3O7S DR2457 INCHIKEY JUZNIMUFDBIJCM-ANEDZVCMSA-N DR2457 DRUINCHI 1S/C22H25N3O7S/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32)/t9-,10-,13+,14+,15-,16-/m1/s1 DR2457 CASMILES CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)C(C)O DR2457 CAS__NUM CAS 153832-46-3 DR2457 CHEBINUM 404903 DR2457 PUBCMSID 7979182; 10250773; 14761086; 14785384; 46227255; 46506508; 50070556; 50071303; 50249601; 57347055; 85595963; 92714224;96024604; 99450921; 103447288; 104428898; 126629618; 126655559; 126663131; 134337727; 135106916; 137003431; 139445158; 152034496; 160963651; 162174325; 163412145; 175265685; 179296050; 184527505; 196105532; 223556604; 223660209; 224339593; 226420912; 248087834; 249865868; 251916745; 251917984; 252075643; 252451452 DR2464 DRUG__ID DR2464 DR2464 DRUGNAME Dihydrodaidzein DR2464 PUBCMCID 176907 DR2464 DFORMULA C15H12O4 DR2464 INCHIKEY JHYXBPPMXZIHKG-UHFFFAOYSA-N DR2464 DRUINCHI 1S/C15H12O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-7,13,16-17H,8H2 DR2464 CASMILES C1C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)O DR2464 CAS__NUM CAS 17238-05-0 DR2464 CHEBINUM 75842 DR2466 DRUG__ID DR2466 DR2466 DRUGNAME Man-b-4MU DR2466 PUBCMCID 194267 DR2466 DFORMULA C16H18O8 DR2466 INCHIKEY YUDPTGPSBJVHCN-NZBFACKJSA-N DR2466 DRUINCHI 1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15+,16-/m1/s1 DR2466 CASMILES CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O DR2466 CAS__NUM CAS 67909-30-2 DR2467 DRUG__ID DR2467 DR2467 DRUGNAME Cyanidin-3-glucoside DR2467 PUBCMCID 197081 DR2467 DFORMULA C21H21ClO11 DR2467 INCHIKEY YTMNONATNXDQJF-UBNZBFALSA-N DR2467 DRUINCHI 1S/C21H20O11.ClH/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8;/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26);1H/t16-,17-,18+,19-,21-;/m1./s1 DR2467 CASMILES C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O.[Cl-] DR2467 CAS__NUM CAS 7084-24-4 DR2468 DRUG__ID DR2468 DR2468 DRUGNAME Deoxycholic acid DR2468 PUBCMCID 222528 DR2468 TTDRUGID D02PQB DR2468 DFORMULA C24H40O4 DR2468 INCHIKEY KXGVEGMKQFWNSR-LLQZFEROSA-N DR2468 DRUINCHI 1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1 DR2468 CASMILES CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C DR2468 CAS__NUM CAS 83-44-3 DR2468 CHEBINUM 28834 DR2468 PUBCMSID 7102; 74413; 585592; 585594; 618558; 819839; 828927; 837869; 841387; 855438; 3135058; 7850928; 7887027; 7887240; 8138505; 9377073; 11446298; 14717701; 15953970; 24277530; 24858743; 24893692; 24893857; 25622261; 29204024; 30425733; 46391767; 47193711; 47959957; 50086825; 53777021; 53786947; 56311772; 57399984; 80526818; 85279390; 90451786; 93167216; 99444161; 99455580; 103578732; 113476161; 124807327; 124812927; 125011664; 125308743; 126523430; 126596873; 126606721; 127310875 DR2470 DRUG__ID DR2470 DR2470 DRUGNAME Lanosterol DR2470 PUBCMCID 246983 DR2470 TTDRUGID D0P4PQ DR2470 DFORMULA C30H50O DR2470 INCHIKEY CAHGCLMLTWQZNJ-BQNIITSRSA-N DR2470 DRUINCHI 1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1 DR2470 CASMILES CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C DR2470 CAS__NUM CAS 79-63-0 DR2470 CHEBINUM 16521 DR2470 PUBCMSID 2905; 4861; 108662; 4266378; 7888607; 8138329; 8143526; 9395181; 12158930; 15302777; 24896283; 24896417; 25651433; 26757817; 30045540; 57309786; 57400449; 79349088; 87565551; 87623957; 92298600; 103514947; 104491139; 126523909; 127287164; 127287165; 127287166; 134368260; 135651499; 137237308; 140346043; 162094640; 163667483; 164811548; 166211000; 179293068; 198956768; 226512170; 241225868; 249929901; 252402925; 252450022 DR2471 DRUG__ID DR2471 DR2471 DRUGNAME CB-3304 DR2471 PUBCMCID 275196 DR2471 TTDRUGID D0Y8AW DR2471 DFORMULA C22H23NO7 DR2471 INCHIKEY AKNNEGZIBPJZJG-MSOLQXFVSA-N DR2471 DRUINCHI 1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1 DR2471 CASMILES CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3 DR2471 CAS__NUM CAS 128-62-1 DR2471 CHEBINUM 73237 DR2471 PUBCMSID 11783; 71491; 415752; 605271; 855860; 7848099; 7980174; 8065369; 9413073; 10321868; 11113349; 11193550; 11408713; 11466591; 11467711; 11486301; 14831210; 14904386; 17439397; 24862408; 41295460; 47216689; 47216690; 47365103; 48184909; 48184910; 48416344; 49645498; 49698554; 50104123; 50104124; 50104125; 53788781; 57400976; 57705206; 61055762; 75471156; 85787957; 87544097; 87982965; 90341457; 92125312; 92718085; 103462008; 103914348; 104826459; 113483048; 115354111; 118055360; 121362983 DR2473 DRUG__ID DR2473 DR2473 DRUGNAME Nafronyl oxalate DR2473 PUBCMCID 312915 DR2473 TTDRUGID D07YWY DR2473 DFORMULA C26H35NO7 DR2473 INCHIKEY SSAJNPNVUYMUCI-UHFFFAOYSA-N DR2473 DRUINCHI 1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3 DR2473 CASMILES CCN(CC)CCOC(=O)C(CC1CCCO1)CC2=CC=CC3=CC=CC=C32.C(=O)(C(=O)O)O DR2473 CAS__NUM CAS 3200-06-4 DR2476 DRUG__ID DR2476 DR2476 DRUGNAME Isomaltose DR2476 PUBCMCID 439193 DR2476 DFORMULA C12H22O11 DR2476 INCHIKEY DLRVVLDZNNYCBX-RTPHMHGBSA-N DR2476 DRUINCHI 1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11?,12+/m1/s1 DR2476 CASMILES C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O DR2476 CAS__NUM CAS 499-40-1 DR2476 CHEBINUM 28189 DR2478 DRUG__ID DR2478 DR2478 DRUGNAME Raffinose DR2478 PUBCMCID 439242 DR2478 DFORMULA C18H32O16 DR2478 INCHIKEY MUPFEKGTMRGPLJ-ZQSKZDJDSA-N DR2478 DRUINCHI 1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1 DR2478 CASMILES C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O)O DR2478 CAS__NUM CAS 512-69-6 DR2478 CHEBINUM 16634 DR2481 DRUG__ID DR2481 DR2481 DRUGNAME Provitamin D3 DR2481 PUBCMCID 439423 DR2481 DFORMULA C27H44O DR2481 INCHIKEY UCTLRSWJYQTBFZ-DDPQNLDTSA-N DR2481 DRUINCHI 1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1 DR2481 CASMILES CC(C)CCCC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C DR2481 CAS__NUM CAS 434-16-2 DR2481 CHEBINUM 17759 DR2482 DRUG__ID DR2482 DR2482 DRUGNAME Salicin DR2482 PUBCMCID 439503 DR2482 TTDRUGID D06BQU DR2482 DFORMULA C13H18O7 DR2482 INCHIKEY NGFMICBWJRZIBI-UJPOAAIJSA-N DR2482 DRUINCHI 1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1 DR2482 CASMILES C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)CO)O)O)O DR2482 CAS__NUM CAS 138-52-3 DR2482 CHEBINUM 17814 DR2482 PUBCMSID 2286; 4628; 3134379; 8143994; 8149868; 10298351; 11335205; 11360444; 11364124; 11366686; 11369248; 11372115; 11374495; 11377410; 11461416; 11484508; 11488572; 11490763; 11492872; 11495044; 11537719; 12153396; 14824655; 24899442; 26612361; 26680016; 26754404; 36883715; 47216608; 47290962; 47365008; 47365009; 49972587; 50086599; 50109834; 56314645; 57403054; 78051830; 81092933; 85165117; 85843100; 87575634; 88196968; 92124552; 92298558; 92307624; 92711990; 99301118; 103579849; 104253606 DR2483 DRUG__ID DR2483 DR2483 DRUGNAME Stachyose DR2483 PUBCMCID 439531 DR2483 DFORMULA C24H42O21 DR2483 INCHIKEY UQZIYBXSHAGNOE-XNSRJBNMSA-N DR2483 DRUINCHI 1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11+,12-,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+,23-,24+/m1/s1 DR2483 CASMILES C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OC4(C(C(C(O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O DR2483 CAS__NUM CAS 470-55-3 DR2483 CHEBINUM 17164 DR2485 DRUG__ID DR2485 DR2485 DRUGNAME LS-69767 DR2485 PUBCMCID 439709 DR2485 DFORMULA C6H12O6 DR2485 INCHIKEY RFSUNEUAIZKAJO-ARQDHWQXSA-N DR2485 DRUINCHI 1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1 DR2485 CASMILES C(C1C(C(C(O1)(CO)O)O)O)O DR2485 CAS__NUM CAS 53188-23-1 DR2485 CHEBINUM 28645 DR2486 DRUG__ID DR2486 DR2486 DRUGNAME Alpha-l-arabinose DR2486 PUBCMCID 439731 DR2486 DFORMULA C5H10O5 DR2486 INCHIKEY SRBFZHDQGSBBOR-QMKXCQHVSA-N DR2486 DRUINCHI 1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5+/m0/s1 DR2486 CASMILES C1C(C(C(C(O1)O)O)O)O DR2486 CAS__NUM CAS 7296-55-1 DR2486 CHEBINUM 46987 DR2487 DRUG__ID DR2487 DR2487 DRUGNAME S-1,2-propanediol DR2487 PUBCMCID 439846 DR2487 DFORMULA C3H8O2 DR2487 INCHIKEY DNIAPMSPPWPWGF-VKHMYHEASA-N DR2487 DRUINCHI 1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1 DR2487 CASMILES CC(CO)O DR2487 CAS__NUM CAS 4254-15-3 DR2487 CHEBINUM 29002 DR2489 DRUG__ID DR2489 DR2489 DRUGNAME Melibiose DR2489 PUBCMCID 440658 DR2489 DFORMULA C12H22O11 DR2489 INCHIKEY DLRVVLDZNNYCBX-ABXHMFFYSA-N DR2489 DRUINCHI 1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11?,12+/m1/s1 DR2489 CASMILES C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O DR2489 CAS__NUM CAS 585-99-9 DR2489 CHEBINUM 28053 DR2491 DRUG__ID DR2491 DR2491 DRUGNAME Meropenem DR2491 PUBCMCID 441130 DR2491 TTDRUGID D0O5FY DR2491 DFORMULA C17H25N3O5S DR2491 INCHIKEY DMJNNHOOLUXYBV-PQTSNVLCSA-N DR2491 DRUINCHI 1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1 DR2491 CASMILES CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)N(C)C)C(=O)O)C(C)O DR2491 CAS__NUM CAS 119478-56-7 DR2491 CHEBINUM 6770 DR2491 PUBCMSID 7979907; 10298746; 11112878; 11467134; 11468254; 11486822; 12014124; 14780292; 14902620; 26744414; 36885035; 46386666;46504928; 47217060; 47440550; 47589234; 47811032; 49681817; 49699298; 50123967; 57403544; 78847646; 92126058; 92308358; 92309041; 93167009; 96024875; 98569498; 103188146; 103914625; 104624717; 117664409; 117695442; 119525880; 121363729; 124658855; 124766033; 126592940; 127755594; 134221905; 135022991; 135684925; 135685918; 135692126; 135693793; 135727273; 136375187; 137003432; 137179129; 139117093 DR2492 DRUG__ID DR2492 DR2492 DRUGNAME Cefoxitin DR2492 PUBCMCID 441199 DR2492 DFORMULA C16H17N3O7S2 DR2492 INCHIKEY WZOZEZRFJCJXNZ-ZBFHGGJFSA-N DR2492 DRUINCHI 1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1 DR2492 CASMILES COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CC3=CC=CS3 DR2492 CAS__NUM CAS 35607-66-0 DR2492 CHEBINUM 209807 DR2493 DRUG__ID DR2493 DR2493 DRUGNAME Perindopril erbumine DR2493 PUBCMCID 441313 DR2493 DFORMULA C23H43N3O5 DR2493 INCHIKEY IYNMDWMQHSMDDE-MHXJNQAMSA-N DR2493 DRUINCHI 1S/C19H32N2O5.C4H11N/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24;1-4(2,3)5/h12-16,20H,4-11H2,1-3H3,(H,23,24);5H2,1-3H3/t12-,13-,14-,15-,16-;/m0./s1 DR2493 CASMILES CCCC(C(=O)OCC)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O.CC(C)(C)N DR2493 CAS__NUM CAS 107133-36-8 DR2493 CHEBINUM 8025 DR2495 DRUG__ID DR2495 DR2495 DRUGNAME Ginsenoside Re DR2495 PUBCMCID 441921 DR2495 DFORMULA C48H82O18 DR2495 INCHIKEY PWAOOJDMFUQOKB-WCZZMFLVSA-N DR2495 DRUINCHI 1S/C48H82O18/c1-21(2)11-10-14-48(9,66-42-38(60)35(57)32(54)26(19-49)63-42)23-12-16-46(7)30(23)24(51)17-28-45(6)15-13-29(52)44(4,5)40(45)25(18-47(28,46)8)62-43-39(36(58)33(55)27(20-50)64-43)65-41-37(59)34(56)31(53)22(3)61-41/h11,22-43,49-60H,10,12-20H2,1-9H3/t22-,23-,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,43+,45+,46+,47+,48-/m0/s1 DR2495 CASMILES CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CC4(C(CC(C5C4(CCC5C(C)(CCC=C(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)O)C7(C3C(C(CC7)O)(C)C)C)C)CO)O)O)O)O)O DR2495 CAS__NUM CAS 52286-59-6 DR2495 CHEBINUM 77148 DR2496 DRUG__ID DR2496 DR2496 DRUGNAME HY-N0669 DR2496 PUBCMCID 442089 DR2496 DFORMULA C38H60O18 DR2496 INCHIKEY UEDUENGHJMELGK-HYDKPPNVSA-N DR2496 DRUINCHI 1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1 DR2496 CASMILES CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O DR2496 CAS__NUM CAS 57817-89-7 DR2496 CHEBINUM 9271 DR2497 DRUG__ID DR2497 DR2497 DRUGNAME Naringin DR2497 PUBCMCID 442428 DR2497 DFORMULA C27H32O14 DR2497 INCHIKEY DFPMSGMNTNDNHN-ZPHOTFPESA-N DR2497 DRUINCHI 1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1 DR2497 CASMILES CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O DR2497 CAS__NUM CAS 10236-47-2 DR2497 CHEBINUM 28819 DR2498 DRUG__ID DR2498 DR2498 DRUGNAME HY-N2258 DR2498 PUBCMCID 442456 DR2498 DFORMULA C28H34O14 DR2498 INCHIKEY NLAWPKPYBMEWIR-SKYQDXIQSA-N DR2498 DRUINCHI 1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1 DR2498 CASMILES CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)OC)O)CO)O)O)O)O)O DR2498 CAS__NUM CAS 14941-08-3 DR2498 CHEBINUM 66773 DR2499 DRUG__ID DR2499 DR2499 DRUGNAME Cinnamic acid DR2499 PUBCMCID 444539 DR2499 TTDRUGID D0T2QL DR2499 DFORMULA C9H8O2 DR2499 INCHIKEY WBYWAXJHAXSJNI-VOTSOKGWSA-N DR2499 DRUINCHI 1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+ DR2499 CASMILES C1=CC=C(C=C1)C=CC(=O)O DR2499 CAS__NUM CAS 140-10-3 DR2499 CHEBINUM 35697 DR2499 PUBCMSID 3713; 12623; 74712; 98281; 491236; 583919; 588530; 607059; 3135953; 7890710; 10299545; 10507636; 11533177; 14717783; 15219201; 22394956; 24848120; 24890291; 24893022; 24900955; 24900956; 25823625; 26703239; 29203962; 29217737; 36887530; 37608491; 46516668; 48421995; 49759521; 49856504; 49955076; 53788561; 57404626; 57924781; 80708217; 85164956; 85246717; 87565486; 87565727; 88529734; 92297555; 93166038; 99450362; 103131880; 103198631; 104632365; 104667294; 115001552; 117544895 DR2500 DRUG__ID DR2500 DR2500 DRUGNAME Fenofibric acid DR2500 PUBCMCID 64929 DR2500 TTDRUGID D0NF1U DR2500 DFORMULA C17H15ClO4 DR2500 INCHIKEY MQOBSOSZFYZQOK-UHFFFAOYSA-N DR2500 DRUINCHI 1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21) DR2500 CASMILES CC(C)(C(=O)O)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl DR2500 CAS__NUM CAS 49562-28-9 DR2500 CHEBINUM 83469 DR2500 PUBCMSID 143270; 7671261; 8189389; 15988368; 29203742; 43121787; 50022223; 50826157; 56312055; 56314036; 58097888; 81049613; 85171876; 87359585; 103256438; 103853918; 104332417; 118048388; 118212615; 125350317; 126616576; 126650397; 126665945; 128633517; 134351110; 135023245; 135650256; 136990671; 137008576; 139809304;143755763; 152028908; 162175168; 162263030; 163415486; 164785582; 172913777; 174529345; 175265316; 175611044; 184538157; 187072366; 198991585; 210279847; 210282170; 223352414; 223385806; 223448217; 223519115; 223669964 DR2501 DRUG__ID DR2501 DR2501 DRUGNAME Alitretinoin DR2501 PUBCMCID 449171 DR2501 TTDRUGID D0G3PI DR2501 DFORMULA C20H28O2 DR2501 INCHIKEY SHGAZHPCJJPHSC-ZVCIMWCZSA-N DR2501 DRUINCHI 1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ DR2501 CASMILES CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C DR2501 CAS__NUM CAS 5300-03-8 DR2501 CHEBINUM 50648 DR2501 PUBCMSID 509159; 584816; 838980; 3718107; 7978614; 8026464; 10300319; 11528315; 12014910; 14898408; 17396485; 17396973; 17486479; 22391507; 24702085; 24899373; 25622044; 25641192; 26681478; 26718599; 26755227; 26755228; 26755229; 26755230; 36890827; 46507356; 47811003; 47885624; 47885625; 50087219; 50110876; 50110877; 50110878; 53790163; 53801213; 56310968; 56313931; 56313962; 57288659; 57404908; 57571034; 75174291; 85240518; 85279329; 85788016; 87219231; 90451653; 92309911; 99300825; 99302343 DR2502 DRUG__ID DR2502 DR2502 DRUGNAME Baricitinib DR2502 PUBCMCID 44205240 DR2502 TTDRUGID D0Y7IC DR2502 DFORMULA C16H17N7O2S DR2502 INCHIKEY XUZMWHLSFXCVMG-UHFFFAOYSA-N DR2502 DRUINCHI 1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20) DR2502 CASMILES CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3 DR2502 CAS__NUM CAS 1187594-09-7 DR2502 CHEBINUM 95341 DR2502 PUBCMSID 85205106; 89960290; 103932354; 135313591; 136946415; 137856279; 144115683; 152258684; 160647521; 160703522; 162009736; 162011992; 162108950; 163312339; 164045123; 164194014; 170501894; 172087008; 172918187; 174006690; 174526483; 176250838; 185979207; 189561494; 198946894; 203105586; 208265518; 215785530; 223366123; 223375538; 223630418; 223705259; 224310310; 227140190; 244162815; 249733389; 249814474; 249816401; 252110203; 252160600; 252214958; 252443897; 252451786; 252553656 DR2503 DRUG__ID DR2503 DR2503 DRUGNAME Cefazolin DR2503 PUBCMCID 33255 DR2503 TTDRUGID D09KDN DR2503 DFORMULA C14H14N8O4S3 DR2503 INCHIKEY MLYYVTUWGNIJIB-BXKDBHETSA-N DR2503 DRUINCHI 1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1 DR2503 CASMILES CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)O DR2503 CAS__NUM CAS 25953-19-9 DR2503 CHEBINUM 474053 DR2503 PUBCMSID 9097; 602960; 7849358; 7978873; 8173059; 11335189; 11360428; 11362960; 11365522; 11368084; 11371259; 11373873; 11376246; 11461400; 11466764; 11467884; 11484775; 11486367; 11488956; 11490146; 11492082; 11493920; 14833488; 15008581; 29215418; 34675123; 46506123; 47193754; 47290958; 47440062; 47440063; 47440064; 47810578; 48110278; 48259043; 48334299; 48415713; 50051012; 56314760; 57311487; 75509242; 81093146; 85663279; 92714647; 103510684; 104133789; 104231690; 104315593; 117600526; 124766146 DR2504 DRUG__ID DR2504 DR2504 DRUGNAME Eravacycline DR2504 PUBCMCID 54726192 DR2504 TTDRUGID D0LZ7E DR2504 DFORMULA C27H31FN4O8 DR2504 INCHIKEY AKLMFDDQCHURPW-ISIOAQNYSA-N DR2504 DRUINCHI 1S/C27H31FN4O8/c1-31(2)20-13-8-11-7-12-14(28)9-15(30-16(33)10-32-5-3-4-6-32)21(34)18(12)22(35)17(11)24(37)27(13,40)25(38)19(23(20)36)26(29)39/h9,11,13,20,34-35,38,40H,3-8,10H2,1-2H3,(H2,29,39)(H,30,33)/t11-,13-,20-,27-/m0/s1 DR2504 CASMILES CN(C)C1C2CC3CC4=C(C=C(C(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)NC(=O)CN5CCCC5)F DR2504 CAS__NUM CAS 1207283-85-9 DR2505 DRUG__ID DR2505 DR2505 DRUGNAME CS-6969 DR2505 PUBCMCID 12302757 DR2505 DFORMULA C27H46O2 DR2505 INCHIKEY IOWMKBFJCNLRTC-GHMQSXNDSA-N DR2505 DRUINCHI 1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25?,26+,27-/m1/s1 DR2505 CASMILES CC(C)C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O DR2505 CAS__NUM CAS 474-73-7 DR2505 CHEBINUM 50515 DR2506 DRUG__ID DR2506 DR2506 DRUGNAME Hombreol DR2506 PUBCMCID 15818 DR2506 DFORMULA C19H32O2 DR2506 INCHIKEY CBMYJHIOYJEBSB-KHOSGYARSA-N DR2506 DRUINCHI 1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,18-,19-/m0/s1 DR2506 CASMILES CC12CCC(CC1CCC3C2CCC4(C3CCC4O)C)O DR2506 CAS__NUM CAS 1852-53-5 DR2506 CHEBINUM 36713 DR2509 DRUG__ID DR2509 DR2509 DRUGNAME Bile acid DR2509 PUBCMCID 439520 DR2509 DFORMULA C24H40O5 DR2509 INCHIKEY BHQCQFFYRZLCQQ-UMZBRFQRSA-N DR2509 DRUINCHI 1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13?,14-,15+,16?,17?,18?,19+,20-,22?,23?,24?/m0/s1 DR2509 CASMILES CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C DR2509 CHEBINUM 22868 DR2511 DRUG__ID DR2511 DR2511 DRUGNAME Glutamic acid DR2511 PUBCMCID 23327 DR2511 DFORMULA C5H9NO4 DR2511 INCHIKEY WHUUTDBJXJRKMK-GSVOUGTGSA-N DR2511 DRUINCHI 1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1 DR2511 CASMILES C(CC(=O)O)C(C(=O)O)N DR2511 CAS__NUM CAS 6893-26-1 DR2511 CHEBINUM 15966 DR2512 DRUG__ID DR2512 DR2512 DRUGNAME CPC-211 DR2512 PUBCMCID 25975 DR2512 DFORMULA C2HCl2O2- DR2512 INCHIKEY JXTHNDFMNIQAHM-UHFFFAOYSA-M DR2512 DRUINCHI 1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)/p-1 DR2512 CASMILES C(C(=O)[O-])(Cl)Cl DR2512 CAS__NUM CAS 13425-80-4 DR2512 CHEBINUM 28240 DR2513 DRUG__ID DR2513 DR2513 DRUGNAME Glyceryl trinitrate DR2513 PUBCMCID 4510 DR2513 DFORMULA C3H5N3O9 DR2513 INCHIKEY SNIOPGDIGTZGOP-UHFFFAOYSA-N DR2513 DRUINCHI 1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2 DR2513 CASMILES C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-] DR2513 CAS__NUM CAS 55-63-0 DR2513 CHEBINUM 28787 DR2514 DRUG__ID DR2514 DR2514 DRUGNAME Ketotifen DR2514 PUBCMCID 3827 DR2514 DFORMULA C19H19NOS DR2514 INCHIKEY ZCVMWBYGMWKGHF-UHFFFAOYSA-N DR2514 DRUINCHI 1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3 DR2514 CASMILES CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1 DR2514 CAS__NUM CAS 34580-13-7 DR2514 CHEBINUM 92511 DR2515 DRUG__ID DR2515 DR2515 DRUGNAME Methimazole DR2515 PUBCMCID 1349907 DR2515 DFORMULA C4H6N2S DR2515 INCHIKEY PMRYVIKBURPHAH-UHFFFAOYSA-N DR2515 DRUINCHI 1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7) DR2515 CASMILES CN1C=CNC1=S DR2515 CAS__NUM CAS 60-56-0 DR2515 CHEBINUM 50673 DR2516 DRUG__ID DR2516 DR2516 DRUGNAME Methylglyoxal DR2516 PUBCMCID 880 DR2516 DFORMULA C3H4O2 DR2516 INCHIKEY AIJULSRZWUXGPQ-UHFFFAOYSA-N DR2516 DRUINCHI 1S/C3H4O2/c1-3(5)2-4/h2H,1H3 DR2516 CASMILES CC(=O)C=O DR2516 CAS__NUM CAS 78-98-8 DR2516 CHEBINUM 17158 DR2517 DRUG__ID DR2517 DR2517 DRUGNAME Nomifensine DR2517 PUBCMCID 4528 DR2517 DFORMULA C16H18N2 DR2517 INCHIKEY XXPANQJNYNUNES-UHFFFAOYSA-N DR2517 DRUINCHI 1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3 DR2517 CASMILES CN1CC(C2=C(C1)C(=CC=C2)N)C3=CC=CC=C3 DR2517 CAS__NUM CAS 24526-64-5 DR2517 CHEBINUM 116225 DR2518 DRUG__ID DR2518 DR2518 DRUGNAME TBI-698 DR2518 PUBCMCID 9568512 DR2518 DFORMULA C10H12N4OS DR2518 INCHIKEY SRVJKTDHMYAMHA-WUXMJOGZSA-N DR2518 DRUINCHI 1S/C10H12N4OS/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)16/h2-6H,1H3,(H,13,15)(H3,11,14,16)/b12-6+ DR2518 CASMILES CC(=O)NC1=CC=C(C=C1)C=NNC(=S)N DR2518 CAS__NUM CAS 104-06-3 DR2518 CHEBINUM 134958 DR2602 DRUG__ID DR2602 DR2602 DRUGNAME PS-3435 DR2602 PUBCMCID 445858 DR2602 TTDRUGID D03SLR DR2602 DFORMULA C10H10O4 DR2602 INCHIKEY KSEBMYQBYZTDHS-HWKANZROSA-N DR2602 DRUINCHI 1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ DR2602 CASMILES COC1=C(C=CC(=C1)C=CC(=O)O)O DR2602 CAS__NUM CAS 537-98-4 DR2602 CHEBINUM 17620 DR2603 DRUG__ID DR2603 DR2603 DRUGNAME Dibekacin DR2603 PUBCMCID 470999 DR2603 DFORMULA C18H37N5O8 DR2603 INCHIKEY JJCQSGDBDPYCEO-XVZSLQNASA-N DR2603 DRUINCHI 1S/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18/h6-18,24-27H,1-5,19-23H2/t6-,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1 DR2603 CASMILES C1CC(C(OC1CN)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CO)O)N)O)N)N)N DR2603 CAS__NUM CAS 34493-98-6 DR2603 CHEBINUM 37945 DR2604 DRUG__ID DR2604 DR2604 DRUGNAME Kalopanaxsaponin I DR2604 PUBCMCID 475709 DR2604 DFORMULA C46H74O16 DR2604 INCHIKEY IAGSHEHQJJTLLR-WBOUJWADSA-N DR2604 DRUINCHI 1S/C46H74O16/c1-22-30(50)35(61-37-33(53)31(51)25(48)19-57-37)34(54)38(59-22)62-36-32(52)26(49)20-58-39(36)60-29-11-12-42(4)27(43(29,5)21-47)10-13-45(7)28(42)9-8-23-24-18-41(2,3)14-16-46(24,40(55)56)17-15-44(23,45)6/h8,22,24-39,47-54H,9-21H2,1-7H3,(H,55,56)/t22?,24?,25?,26?,27?,28?,29-,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,42-,43-,44+,45+,46-/m0/s1 DR2604 CASMILES CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)OC8C(C(C(CO8)O)O)O)O DR2605 DRUG__ID DR2605 DR2605 DRUGNAME Kalopanaxsaponin H DR2605 PUBCMCID 475722 DR2605 DFORMULA C47H76O17 DR2605 INCHIKEY AMXYFWUYMQOLRN-VSLJUTLUSA-N DR2605 DRUINCHI 1S/C47H76O17/c1-22-30(51)36(63-38-34(55)33(54)32(53)26(19-48)61-38)35(56)39(60-22)64-37-31(52)25(50)20-59-40(37)62-29-11-12-43(4)27(44(29,5)21-49)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,41(57)58)17-15-45(23,46)6/h8,22,24-40,48-56H,9-21H2,1-7H3,(H,57,58)/t22-,24-,25-,26+,27+,28+,29-,30-,31-,32+,33-,34+,35+,36+,37?,38-,39-,40-,43-,44-,45+,46+,47+/m0/s1 DR2605 CASMILES CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O DR2605 CAS__NUM CAS 128730-82-5 DR2606 DRUG__ID DR2606 DR2606 DRUGNAME Liquiritin DR2606 PUBCMCID 503737 DR2606 DFORMULA C21H22O9 DR2606 INCHIKEY DEMKZLAVQYISIA-ZRWXNEIDSA-N DR2606 DRUINCHI 1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2/t15-,17+,18+,19-,20+,21+/m0/s1 DR2606 CASMILES C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O DR2606 CAS__NUM CAS 551-15-5 DR2606 CHEBINUM 80845 DR2609 DRUG__ID DR2609 DR2609 DRUGNAME TU-199 DR2609 PUBCMCID 636411 DR2609 DFORMULA C16H18N4O3S DR2609 INCHIKEY ZBFDAUIVDSSISP-UHFFFAOYSA-N DR2609 DRUINCHI 1S/C16H18N4O3S/c1-9-7-17-12(10(2)14(9)23-4)8-24(21)16-18-11-5-6-13(22-3)19-15(11)20-16/h5-7H,8H2,1-4H3,(H,18,19,20) DR2609 CASMILES CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=CC(=N3)OC DR2609 CAS__NUM CAS 113712-98-4 DR2609 CHEBINUM 94379 DR2614 DRUG__ID DR2614 DR2614 DRUGNAME Beta-ionone DR2614 PUBCMCID 638014 DR2614 DFORMULA C13H20O DR2614 INCHIKEY PSQYTAPXSHCGMF-BQYQJAHWSA-N DR2614 DRUINCHI 1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+ DR2614 CASMILES CC1=C(C(CCC1)(C)C)C=CC(=O)C DR2614 CAS__NUM CAS 79-77-6 DR2614 CHEBINUM 32325 DR2618 DRUG__ID DR2618 DR2618 DRUGNAME Glucotropaeolin DR2618 PUBCMCID 656498 DR2618 DFORMULA C14H19NO9S2 DR2618 INCHIKEY QQGLQYQXUKHWPX-LPUQOGTASA-N DR2618 DRUINCHI 1S/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/t9-,11-,12+,13-,14+/m1/s1 DR2618 CASMILES C1=CC=C(C=C1)CC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O DR2618 CAS__NUM CAS 499-26-3 DR2625 DRUG__ID DR2625 DR2625 DRUGNAME Oxolithocholic acid DR2625 PUBCMCID 3080612 DR2625 DFORMULA C24H38O4 DR2625 INCHIKEY CVNYHSDFZXHMMJ-VPUMZWJWSA-N DR2625 DRUINCHI 1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-20,25H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,23+,24-/m1/s1 DR2625 CASMILES CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2CCC4C3(CCC(C4)O)C)C DR2625 CAS__NUM CAS 5130-29-0 DR2625 CHEBINUM 139134 DR2626 DRUG__ID DR2626 DR2626 DRUGNAME PNA-l-rhamnopyranoside DR2626 PUBCMCID 3082141 DR2626 DFORMULA C12H15NO7 DR2626 INCHIKEY YILIDCGSXCGACV-UOAXWKJLSA-N DR2626 DRUINCHI 1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-4-2-7(3-5-8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9-,10+,11+,12-/m0/s1 DR2626 CASMILES CC1C(C(C(C(O1)OC2=CC=C(C=C2)[N+](=O)[O-])O)O)O DR2626 CAS__NUM CAS 18918-31-5 DR2629 DRUG__ID DR2629 DR2629 DRUGNAME NCI-C55958 DR2629 PUBCMCID 3613389 DR2629 DFORMULA C6H6N2O3 DR2629 INCHIKEY VLZVIIYRNMWPSN-UHFFFAOYSA-N DR2629 DRUINCHI 1S/C6H6N2O3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H,7H2 DR2629 CASMILES C1=CC(=C(C=C1[N+](=O)[O-])N)O DR2629 CAS__NUM CAS 99-57-0 DR2629 CHEBINUM 82383 DR2630 DRUG__ID DR2630 DR2630 DRUGNAME Quercetin DR2630 PUBCMCID 5280343 DR2630 TTDRUGID D0K8KX DR2630 DFORMULA C15H10O7 DR2630 INCHIKEY REFJWTPEDVJJIY-UHFFFAOYSA-N DR2630 DRUINCHI 1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H DR2630 CASMILES C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O DR2630 CAS__NUM CAS 117-39-5 DR2630 CHEBINUM 16243 DR2630 PUBCMSID 3679; 74741; 596331; 820896; 821326; 841197; 3157247; 5183365; 7636346; 7884117; 7890165; 8137945; 8145679; 8149624; 8616230; 10318962; 10318963; 10589526; 11108251; 11111704; 11111705; 11111706; 11113933; 11120249; 11120737; 11121225; 11121719; 11122199; 11335660; 11360899; 11362822; 11362998; 11365384; 11365560; 11367946; 11368122; 11370875; 11370876; 11371563; 11373547; 11374432; 11376108; 11376284; 11387263; 11401319; 11446388; 11455076; 11455328; 11461871; 11466535 DR2631 DRUG__ID DR2631 DR2631 DRUGNAME Stigmasterol DR2631 PUBCMCID 5280794 DR2631 DFORMULA C29H48O DR2631 INCHIKEY HCXVJBMSMIARIN-PHZDYDNGSA-N DR2631 DRUINCHI 1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 DR2631 CASMILES CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C DR2631 CAS__NUM CAS 83-48-7 DR2631 CHEBINUM 28824 DR2632 DRUG__ID DR2632 DR2632 DRUGNAME Amphotericin B DR2632 PUBCMCID 5280965 DR2632 DFORMULA C47H73NO17 DR2632 INCHIKEY APKFDSVGJQXUKY-INPOYWNPSA-N DR2632 DRUINCHI 1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1 DR2632 CASMILES CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O DR2632 CAS__NUM CAS 1397-89-3 DR2632 CHEBINUM 2682 DR2633 DRUG__ID DR2633 DR2633 DRUGNAME Azatadine maleate DR2633 PUBCMCID 5281066 DR2633 DFORMULA C28H30N2O8 DR2633 INCHIKEY SGHXFFAHXTZRQM-SPIKMXEPSA-N DR2633 DRUINCHI 1S/C20H22N2.2C4H4O4/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19;2*5-3(6)1-2-4(7)8/h2-7,12H,8-11,13-14H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1- DR2633 CASMILES CN1CCC(=C2C3=CC=CC=C3CCC4=C2N=CC=C4)CC1.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O DR2633 CAS__NUM CAS 3978-86-7 DR2633 CHEBINUM 2947 DR2634 DRUG__ID DR2634 DR2634 DRUGNAME Clemastine fumarate DR2634 PUBCMCID 5281069 DR2634 DFORMULA C25H30ClNO5 DR2634 INCHIKEY PMGQWSIVQFOFOQ-YKVZVUFRSA-N DR2634 DRUINCHI 1S/C21H26ClNO.C4H4O4/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2;5-3(6)1-2-4(7)8/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t20-,21-;/m1./s1 DR2634 CASMILES CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCC3CCCN3C.C(=CC(=O)O)C(=O)O DR2634 CAS__NUM CAS 14976-57-9 DR2634 CHEBINUM 3739 DR2635 DRUG__ID DR2635 DR2635 DRUGNAME Methysergide maleate DR2635 PUBCMCID 5281073 DR2635 DFORMULA C25H31N3O6 DR2635 INCHIKEY LWYXFDXUMVEZKS-ZVFOLQIPSA-N DR2635 DRUINCHI 1S/C21H27N3O2.C4H4O4/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14;5-3(6)1-2-4(7)8/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,15+,19-;/m1./s1 DR2635 CASMILES CCC(CO)NC(=O)C1CN(C2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C.C(=CC(=O)O)C(=O)O DR2635 CAS__NUM CAS 129-49-7 DR2635 CHEBINUM 6894 DR2636 DRUG__ID DR2636 DR2636 DRUGNAME HY-N0791 DR2636 PUBCMCID 5281810 DR2636 DFORMULA C22H22O11 DR2636 INCHIKEY CNOURESJATUGPN-UDEBZQQRSA-N DR2636 DRUINCHI 1S/C22H22O11/c1-30-21-13(32-22-20(29)19(28)17(26)14(7-23)33-22)6-12-15(18(21)27)16(25)11(8-31-12)9-2-4-10(24)5-3-9/h2-6,8,14,17,19-20,22-24,26-29H,7H2,1H3/t14-,17-,19+,20-,22-/m1/s1 DR2636 CASMILES COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O DR2636 CAS__NUM CAS 611-40-5 DR2636 CHEBINUM 9428 DR2638 DRUG__ID DR2638 DR2638 DRUGNAME Oligomycin C DR2638 PUBCMCID 5281901 DR2638 DFORMULA C45H74O10 DR2638 INCHIKEY CMMLZMMKTYEOKV-JEKNLLRFSA-N DR2638 DRUINCHI 1S/C45H74O10/c1-12-35-17-15-13-14-16-26(3)39(48)30(7)41(50)32(9)43(52)33(10)42(51)31(8)40(49)27(4)18-21-38(47)53-44-29(6)36(20-19-35)54-45(34(44)11)23-22-25(2)37(55-45)24-28(5)46/h13-15,17-18,21,25-37,39-40,43-44,46,48-49,52H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26+,27-,28+,29+,30-,31-,32+,33-,34-,35-,36-,37-,39-,40+,43-,44+,45-/m1/s1 DR2638 CASMILES CCC1CCC2C(C(C(C3(O2)CCC(C(O3)CC(C)O)C)C)OC(=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC=C1)C)O)C)C)O)C)C)O)C)C DR2638 CAS__NUM CAS 11052-72-5 DR2640 DRUG__ID DR2640 DR2640 DRUGNAME BV-ara-U DR2640 PUBCMCID 5282192 DR2640 TTDRUGID D03TGJ DR2640 DFORMULA C11H13BrN2O6 DR2640 INCHIKEY GCQYYIHYQMVWLT-HQNLTJAPSA-N DR2640 DRUINCHI 1S/C11H13BrN2O6/c12-2-1-5-3-14(11(19)13-9(5)18)10-8(17)7(16)6(4-15)20-10/h1-3,6-8,10,15-17H,4H2,(H,13,18,19)/b2-1+/t6-,7-,8+,10-/m1/s1 DR2640 CASMILES C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)C=CBr DR2640 CAS__NUM CAS 77181-69-2 DR2640 CHEBINUM 32152 DR2640 PUBCMSID 626315; 7848797; 7980638; 8616933; 12012808; 14900752; 16893378; 39315678; 50036052; 57358563; 77279719; 103265675; 113856648; 135012287; 137167326; 137246337; 179117134; 198957337; 224424237; 226461391; 241137006; 252671781 DR2641 DRUG__ID DR2641 DR2641 DRUGNAME Menaquinone 4 DR2641 PUBCMCID 5282367 DR2641 DFORMULA C31H40O2 DR2641 INCHIKEY DKHGMERMDICWDU-GHDNBGIDSA-N DR2641 DRUINCHI 1S/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+ DR2641 CASMILES CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C DR2641 CAS__NUM CAS 863-61-6 DR2641 CHEBINUM 78277 DR2642 DRUG__ID DR2642 DR2642 DRUGNAME MN-1695 DR2642 PUBCMCID 5282435 DR2642 TTDRUGID D04MRQ DR2642 DFORMULA C13H11Cl2N5O4 DR2642 INCHIKEY PJLVTVAIERNDEQ-BTJKTKAUSA-N DR2642 DRUINCHI 1S/C9H7Cl2N5.C4H4O4/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7;5-3(6)1-2-4(7)8/h1-3H,(H4,12,13,14,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1- DR2642 CASMILES C1=CC(=C(C=C1Cl)C2=NC(=NC(=N2)N)N)Cl.C(=CC(=O)O)C(=O)O DR2642 CAS__NUM CAS 84504-69-8 DR2642 CHEBINUM 31721 DR2644 DRUG__ID DR2644 DR2644 DRUGNAME Colistin DR2644 PUBCMCID 5311054 DR2644 TTDRUGID D0K7NQ DR2644 DFORMULA C52H98N16O13 DR2644 INCHIKEY YKQOSKADJPQZHB-QNPLFGSASA-N DR2644 DRUINCHI 1S/C52H98N16O13/c1-9-29(6)11-10-12-40(71)59-32(13-19-53)47(76)68-42(31(8)70)52(81)64-35(16-22-56)44(73)63-37-18-24-58-51(80)41(30(7)69)67-48(77)36(17-23-57)61-43(72)33(14-20-54)62-49(78)38(25-27(2)3)66-50(79)39(26-28(4)5)65-45(74)34(15-21-55)60-46(37)75/h27-39,41-42,69-70H,9-26,53-57H2,1-8H3,(H,58,80)(H,59,71)(H,60,75)(H,61,72)(H,62,78)(H,63,73)(H,64,81)(H,65,74)(H,66,79)(H,67,77)(H,68,76)/t29?,30-,31-,32+,33+,34+,35+,36+,37+,38+,39-,41+,42+/m1/s1 DR2644 CASMILES CCC(C)CCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC(C)C)CC(C)C)CCN)CCN)C(C)O DR2644 CAS__NUM CAS 1264-72-8 DR2644 PUBCMSID 615200; 7978985; 11056238; 39340783; 46505467; 50873188; 96099852; 114155157; 124766320; 134338539; 137260964; 160964145; 162224764; 228138971; 242084741 DR2645 DRUG__ID DR2645 DR2645 DRUGNAME Glycitein DR2645 PUBCMCID 5317750 DR2645 DFORMULA C16H12O5 DR2645 INCHIKEY DXYUAIFZCFRPTH-UHFFFAOYSA-N DR2645 DRUINCHI 1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3 DR2645 CASMILES COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)O DR2645 CAS__NUM CAS 40957-83-3 DR2645 CHEBINUM 34778 DR2646 DRUG__ID DR2646 DR2646 DRUGNAME BG-0375 DR2646 PUBCMCID 5358812 DR2646 DFORMULA C24H28N2O4S2 DR2646 INCHIKEY IWDBEHWZGDSFHR-BTJKTKAUSA-N DR2646 DRUINCHI 1S/C20H24N2S2.C4H4O4/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20;5-3(6)1-2-4(7)8/h3-8,14,18H,9-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1- DR2646 CASMILES CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC.C(=CC(=O)O)C(=O)O DR2646 CAS__NUM CAS 19728-88-2 DR2646 CHEBINUM 64202 DR2648 DRUG__ID DR2648 DR2648 DRUGNAME Ramipril DR2648 PUBCMCID 5362129 DR2648 TTDRUGID D01STB DR2648 DFORMULA C23H32N2O5 DR2648 INCHIKEY HDACQVRGBOVJII-JBDAPHQKSA-N DR2648 DRUINCHI 1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20-/m0/s1 DR2648 CASMILES CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCC3CC2C(=O)O DR2648 CAS__NUM CAS 87333-19-5 DR2648 CHEBINUM 8774 DR2648 PUBCMSID 7847487; 7980483; 11364914; 11367476; 11370038; 11372946; 11374996; 11378208; 11491609; 11493083; 11495772; 11528643; 11533329; 12012944; 14904601; 14929182; 17184929; 24724586; 26612834; 26719894; 39384402; 46386770; 46506390; 47721705; 48244488; 48416510; 49664947; 49681721; 50122729; 53787042; 57362088; 76755897; 81093204; 85279379; 92308080; 92308314; 92309227; 92712074; 93166961; 103339774; 103984211; 104170125; 104179208; 104253384; 114149719; 117664421; 121362522; 124658840; 124757502; 124799903 DR2652 DRUG__ID DR2652 DR2652 DRUGNAME Fumarate DR2652 PUBCMCID 5460307 DR2652 TTDRUGID D01MDE DR2652 DFORMULA C4H2O4-2 DR2652 INCHIKEY VZCYOOQTPOCHFL-OWOJBTEDSA-L DR2652 DRUINCHI 1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1+ DR2652 CASMILES C(=CC(=O)[O-])C(=O)[O-] DR2652 CAS__NUM CAS 110-17-8 DR2652 CHEBINUM 29806; 36180 DR2652 PUBCMSID 2725; 7887524; 8145404; 12156948; 14709407; 17425115; 22390374; 39443014; 46508303; 50658123; 57363162; 103067044; 103079229; 104115405; 113999754; 117384352; 127272593; 127272594; 127272595; 127272596; 127272597; 127272598; 127272599; 127272600; 127272601; 127272602; 127272603; 127272604; 127272605; 127272606; 127272607; 127272608; 127272609; 127272610; 127272611; 127272612; 127272613; 127272614; 127272615; 127272616; 127272617; 127272618; 127272619; 127272620; 127272621; 127272622; 127272623; 127272624; 127272625; 127272626 DR2654 DRUG__ID DR2654 DR2654 DRUGNAME Gluconasturtiin DR2654 PUBCMCID 5464032 DR2654 DFORMULA C15H21NO9S2 DR2654 INCHIKEY CKIJIGYDFNXSET-OOMJLXHVSA-N DR2654 DRUINCHI 1S/C15H21NO9S2/c17-8-10-12(18)13(19)14(20)15(24-10)26-11(16-25-27(21,22)23)7-6-9-4-2-1-3-5-9/h1-5,10,12-15,17-20H,6-8H2,(H,21,22,23)/b16-11-/t10-,12-,13+,14-,15+/m1/s1 DR2654 CASMILES C1=CC=C(C=C1)CCC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O DR2654 CHEBINUM 79347 DR2655 DRUG__ID DR2655 DR2655 DRUGNAME Ceftriaxone DR2655 PUBCMCID 5479530 DR2655 TTDRUGID D07ACT DR2655 DFORMULA C18H18N8O7S3 DR2655 INCHIKEY VAAUVRVFOQPIGI-SPQHTLEESA-N DR2655 DRUINCHI 1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1 DR2655 CASMILES CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O DR2655 CAS__NUM CAS 73384-59-5 DR2655 CHEBINUM 29007 DR2655 PUBCMSID 8908; 602917; 7978887; 11693489; 14886134; 14935103; 15968575; 39470230; 46506458; 48415733; 50050959; 51091963; 57363926; 79861798; 87322639; 92711237; 103240795; 103980019; 113985965; 124766008; 126631063; 126657477; 134224100; 134337467; 134338568; 135011808; 137019029; 140116145; 141914537; 152100037; 160964545; 162178862; 175265409; 176267075; 179151046; 179323748; 196109964; 210279827; 210282150; 223653569; 223680127; 223680436; 226412100; 241132770; 250133954; 252122133 DR2656 DRUG__ID DR2656 DR2656 DRUGNAME Cefpirome DR2656 PUBCMCID 5479539 DR2656 DFORMULA C22H22N6O5S2 DR2656 INCHIKEY DKOQGJHPHLTOJR-WHRDSVKCSA-N DR2656 DRUINCHI 1S/C22H22N6O5S2/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32)/b26-15-/t16-,20-/m1/s1 DR2656 CASMILES CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4CCC5)C(=O)[O-] DR2656 CAS__NUM CAS 84957-29-9 DR2656 CHEBINUM 3503 DR2657 DRUG__ID DR2657 DR2657 DRUGNAME Trandolapril DR2657 PUBCMCID 5484727 DR2657 TTDRUGID D0M5OC DR2657 DFORMULA C24H34N2O5 DR2657 INCHIKEY VXFJYXUZANRPDJ-WTNASJBWSA-N DR2657 DRUINCHI 1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16-,18+,19-,20-,21-/m0/s1 DR2657 CASMILES CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCCC3CC2C(=O)O DR2657 CAS__NUM CAS 87679-37-6 DR2657 CHEBINUM 9649 DR2657 PUBCMSID 7847449; 7980822; 12013675; 14807551; 14929957; 17185447; 39472377; 46508300; 48416651; 49983793; 57364037; 78587898; 90340949; 93166962; 93619661; 103558689; 113992926; 118048541; 121361634; 124893803; 126662049; 131328953; 134223023; 134337874; 135060465; 135569875; 135723472; 136043950; 137002500; 139097173; 144205006; 144206703; 151982735; 152035469; 160848877; 160963864; 162176909; 163122933; 163564878; 164813794; 172919751; 175266111; 175612605; 178103069; 179116928; 184545941; 210279756; 210282079; 223702475; 224010570 DR2658 DRUG__ID DR2658 DR2658 DRUGNAME Mebhydrolin DR2658 PUBCMCID 5702169 DR2658 DFORMULA C29H28N2O6S2 DR2658 INCHIKEY UBHSARJULCDNFC-UHFFFAOYSA-N DR2658 DRUINCHI 1S/C19H20N2.C10H8O6S2/c1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2-10H,11-14H2,1H3;1-6H,(H,11,12,13)(H,14,15,16) DR2658 CASMILES CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O DR2658 CAS__NUM CAS 524-81-2 DR2660 DRUG__ID DR2660 DR2660 DRUGNAME Ceftiofur DR2660 PUBCMCID 6328657 DR2660 TTDRUGID D0V7OH DR2660 DFORMULA C19H17N5O7S3 DR2660 INCHIKEY ZBHXIWJRIFEVQY-IHMPYVIRSA-N DR2660 DRUINCHI 1S/C19H17N5O7S3/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28)/b23-11-/t12-,16-/m1/s1 DR2660 CASMILES CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC(=O)C4=CC=CO4)C(=O)O DR2660 CAS__NUM CAS 80370-57-6 DR2660 PUBCMSID 14836459; 15036037; 23947607; 42975881; 50064092; 50962949; 51091961; 57366047; 103511745; 114452113; 118048698; 126665645; 126684261; 131326900; 135062361; 137103550; 137181443; 140016717; 144206093; 162258076; 163837743; 163913563; 164788198; 172858382; 175267152; 198993600; 223653451; 223682040; 226668549; 241159039 DR2661 DRUG__ID DR2661 DR2661 DRUGNAME Cefpodoxime DR2661 PUBCMCID 6335986 DR2661 TTDRUGID D0W6CA DR2661 DFORMULA C15H17N5O6S2 DR2661 INCHIKEY WYUSVOMTXWRGEK-HBWVYFAYSA-N DR2661 DRUINCHI 1S/C15H17N5O6S2/c1-25-3-6-4-27-13-9(12(22)20(13)10(6)14(23)24)18-11(21)8(19-26-2)7-5-28-15(16)17-7/h5,9,13H,3-4H2,1-2H3,(H2,16,17)(H,18,21)(H,23,24)/b19-8-/t9-,13-/m1/s1 DR2661 CASMILES COCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O DR2661 CAS__NUM CAS 82619-04-3 DR2661 CHEBINUM 3504 DR2661 PUBCMSID 10314; 7978883; 14832042; 14880676; 23947634; 42980683; 46504897; 48415725; 49835234; 51091954; 79167407; 87305645; 96099266; 103639168; 104133802; 114466102; 124766016; 134337752; 135013061; 137002897; 138999736; 140396441; 160964685; 163409420; 163847698; 175268415; 179151199; 196378890; 226414761; 241157558; 252347160 DR2664 DRUG__ID DR2664 DR2664 DRUGNAME Q-44287045 DR2664 PUBCMCID 6451096 DR2664 DFORMULA C24H34O5 DR2664 INCHIKEY XXDIJWSZFWZBRM-QCEWEWFLSA-N DR2664 DRUINCHI 1S/C24H34O5/c1-20-13-7-3-2-4-8-16-22(26)19-23(27)17-11-5-9-14-21(25)15-10-6-12-18-24(28)29-20/h2,4-6,8-12,14,16,18,20-23,25-27H,3,7,13,15,17,19H2,1H3/b4-2+,10-6+,11-5-,14-9+,16-8+,18-12-/t20-,21+,22-,23+/m1/s1 DR2664 CASMILES CC1CCCC=CC=CC(CC(CC=CC=CC(CC=CC=CC(=O)O1)O)O)O DR2664 CAS__NUM CAS 122540-27-6 DR2665 DRUG__ID DR2665 DR2665 DRUGNAME Rivastigmine tartrate DR2665 PUBCMCID 6918078 DR2665 DFORMULA C18H28N2O8 DR2665 INCHIKEY GWHQHAUAXRMMOT-MBANBULQSA-N DR2665 DRUINCHI 1S/C14H22N2O2.C4H6O6/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4;5-1(3(7)8)2(6)4(9)10/h7-11H,6H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-;1-,2-/m01/s1 DR2665 CASMILES CCN(C)C(=O)OC1=CC=CC(=C1)C(C)N(C)C.C(C(C(=O)O)O)(C(=O)O)O DR2665 CAS__NUM CAS 129101-54-8 DR2665 CHEBINUM 64358 DR2666 DRUG__ID DR2666 DR2666 DRUGNAME Chlorhexidine DR2666 PUBCMCID 9552079 DR2666 TTDRUGID D0V4GY DR2666 DFORMULA C22H30Cl2N10 DR2666 INCHIKEY GHXZTYHSJHQHIJ-UHFFFAOYSA-N DR2666 DRUINCHI 1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34) DR2666 CASMILES C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl DR2666 CAS__NUM CAS 55-56-1 DR2666 CHEBINUM 3614 DR2666 PUBCMSID 9119; 600474; 10321154; 11112130; 11335936; 11361175; 11363131; 11365693; 11368255; 11371297; 11373913; 11376417; 11462147; 11466171; 11467291; 11483946; 11485921; 11487951; 11490155; 11492092; 11494051; 14884555; 17389113; 24712465; 24854905; 24857031; 24861545; 25675207; 26752881; 46506388; 47291166; 47365220; 47589027; 47662313; 47885444; 47959776; 48110471; 48185027; 48424952; 49698845; 49893853; 51091970; 56324225; 56324718; 56463343; 57372731; 57737486; 78205044; 81041550; 85174368 DR2667 DRUG__ID DR2667 DR2667 DRUGNAME Obtusifoldienol DR2667 PUBCMCID 9803310 DR2667 DFORMULA C31H52O DR2667 INCHIKEY XJLZCPIILZRCPS-ANMPWZFDSA-N DR2667 DRUINCHI 1S/C31H52O/c1-20(2)21(3)10-11-22(4)23-14-18-31(9)25-12-13-26-28(5,6)27(32)16-17-29(26,7)24(25)15-19-30(23,31)8/h20,22-23,26-27,32H,3,10-19H2,1-2,4-9H3/t22-,23-,26+,27+,29-,30-,31+/m1/s1 DR2667 CASMILES CC(C)C(=C)CCC(C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C DR2667 CAS__NUM CAS 6890-88-6 DR2667 CHEBINUM 70315 DR2668 DRUG__ID DR2668 DR2668 DRUGNAME Dihydrogenistein DR2668 PUBCMCID 9838356 DR2668 DFORMULA C15H12O5 DR2668 INCHIKEY UQGVUYNHDKMLSE-UHFFFAOYSA-N DR2668 DRUINCHI 1S/C15H12O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-6,11,16-18H,7H2 DR2668 CASMILES C1C(C(=O)C2=C(C=C(C=C2O1)O)O)C3=CC=C(C=C3)O DR2668 CAS__NUM CAS 21554-71-2 DR2668 CHEBINUM 34707 DR2669 DRUG__ID DR2669 DR2669 DRUGNAME Ginsenoside Rb1 DR2669 PUBCMCID 9898279 DR2669 DFORMULA C54H92O23 DR2669 INCHIKEY GZYPWOGIYAIIPV-JBDTYSNRSA-N DR2669 DRUINCHI 1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,51-,52+,53+,54-/m0/s1 DR2669 CASMILES CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)C DR2669 CAS__NUM CAS 41753-43-9 DR2669 CHEBINUM 67989 DR2670 DRUG__ID DR2670 DR2670 DRUGNAME Kestose DR2670 PUBCMCID 9914062 DR2670 DFORMULA C18H32O16 DR2670 INCHIKEY ODEHMIGXGLNAKK-OESPXIITSA-N DR2670 DRUINCHI 1S/C18H32O16/c19-1-6-9(23)12(26)13(27)16(31-6)34-18(5-22)15(29)11(25)8(33-18)3-30-17(4-21)14(28)10(24)7(2-20)32-17/h6-16,19-29H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18+/m1/s1 DR2670 CASMILES C(C1C(C(C(C(O1)OC2(C(C(C(O2)COC3(C(C(C(O3)CO)O)O)CO)O)O)CO)O)O)O)O DR2670 CAS__NUM CAS 562-68-5 DR2670 CHEBINUM 64833 DR2671 DRUG__ID DR2671 DR2671 DRUGNAME Q-100154 DR2671 PUBCMCID 9918693 DR2671 TTDRUGID D01BKS DR2671 DFORMULA C42H72O13 DR2671 INCHIKEY RWXIFXNRCLMQCD-JBVRGBGGSA-N DR2671 DRUINCHI 1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1 DR2671 CASMILES CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)O)C DR2671 CAS__NUM CAS 14197-60-5 DR2671 CHEBINUM 67991 DR2671 PUBCMSID 14889154; 16043242; 24196830; 45990334; 51284473; 56459455; 81044365; 93575954; 103557519; 104151898; 119526355; 160711129; 162204952; 163913781; 198971721; 210280263; 210282243; 223365993; 252350174 DR2672 DRUG__ID DR2672 DR2672 DRUGNAME Triclosan monophosphate DR2672 PUBCMCID 9929261 DR2672 DFORMULA C12H8Cl3O5P DR2672 INCHIKEY UWGXJEHVYAWNIK-UHFFFAOYSA-N DR2672 DRUINCHI 1S/C12H8Cl3O5P/c13-7-1-3-10(9(15)5-7)19-11-4-2-8(14)6-12(11)20-21(16,17)18/h1-6H,(H2,16,17,18) DR2672 CASMILES C1=CC(=C(C=C1Cl)OP(=O)(O)O)OC2=C(C=C(C=C2)Cl)Cl DR2673 DRUG__ID DR2673 DR2673 DRUGNAME Linagliptin DR2673 PUBCMCID 10096344 DR2673 TTDRUGID D02EYG DR2673 DFORMULA C25H28N8O2 DR2673 INCHIKEY LTXREWYXXSTFRX-QGZVFWFLSA-N DR2673 DRUINCHI 1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1 DR2673 CASMILES CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C DR2673 CAS__NUM CAS 668270-12-0 DR2673 CHEBINUM 68610 DR2673 PUBCMSID 15083733; 22505980; 29196126; 39156222; 56310616; 80795936; 103537922; 104097872; 124490306; 124772145; 126626882; 126665800; 134345106; 135257632; 135693249; 136367897; 137171672; 141692239; 144116143; 152090598; 152134670; 152159563; 152258162; 160644541; 160645740; 160646999; 162011748; 162198501; 164020949;164193945; 164228213; 164761585; 172653134; 174006340; 174530256; 175267212; 175427132; 178102936; 184817874; 198992878; 223377286; 223554902; 223678280; 223704799; 226523537; 241125887; 242588098; 249072929; 249737177; 251971307 DR2674 DRUG__ID DR2674 DR2674 DRUGNAME Macrolactin A DR2674 PUBCMCID 10601542 DR2674 DFORMULA C28H38O8 DR2674 INCHIKEY QPJULYYJHQTWML-GIDLKBJSSA-N DR2674 DRUINCHI 1S/C28H38O8/c1-22-13-7-3-2-4-8-14-23(29)21-24(30)15-9-5-10-16-25(36-28(34)20-19-26(31)32)17-11-6-12-18-27(33)35-22/h2,4-6,8-12,14,16,18,22-25,29-30H,3,7,13,15,17,19-21H2,1H3,(H,31,32)/b4-2+,9-5-,11-6+,14-8+,16-10+,18-12-/t22-,23+,24+,25-/m1/s1 DR2674 CASMILES CC1CCCC=CC=CC(CC(CC=CC=CC(CC=CC=CC(=O)O1)OC(=O)CCC(=O)O)O)O DR2675 DRUG__ID DR2675 DR2675 DRUGNAME Q-27137207 DR2675 PUBCMCID 10988200 DR2675 DFORMULA C15H22O2 DR2675 INCHIKEY DCFDRCCHOOORSB-DSKWVYQCSA-N DR2675 DRUINCHI 1S/C15H22O2/c1-9-4-5-12-11(13(16)17)6-10-7-14(2,3)8-15(9,10)12/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,16,17)/t9-,10-,12+,15-/m1/s1 DR2675 CASMILES CC1CCC2C13CC(CC3C=C2C(=O)O)(C)C DR2675 CHEBINUM 68832 DR2676 DRUG__ID DR2676 DR2676 DRUGNAME Phytosterols DR2676 PUBCMCID 12303662 DR2676 DFORMULA C29H50O DR2676 INCHIKEY KZJWDPNRJALLNS-ICLVQLPZSA-N DR2676 DRUINCHI 1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26?,27+,28+,29-/m1/s1 DR2676 CASMILES CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C DR2676 CAS__NUM CAS 68441-03-2 DR2677 DRUG__ID DR2677 DR2677 DRUGNAME Ginsenoside Rc DR2677 PUBCMCID 12855889 DR2677 DFORMULA C53H90O22 DR2677 INCHIKEY JDCPEKQWFDWQLI-LUQKBWBOSA-N DR2677 DRUINCHI 1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-68-45-41(65)36(60)28(21-56)69-45)24-11-16-52(7)33(24)25(57)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)35(59)27(20-55)71-48)74-46-42(66)38(62)34(58)26(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28-,29+,30-,31+,32-,33-,34+,35+,36-,37+,38-,39-,40-,41+,42+,43+,44+,45+,46-,47-,48-,50-,51+,52+,53-/m0/s1 DR2677 CASMILES CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)COC8C(C(C(O8)CO)O)O)O)O)O)C DR2677 CAS__NUM CAS 11021-14-0 DR2677 CHEBINUM 77154 DR2678 DRUG__ID DR2678 DR2678 DRUGNAME Carbapenem DR2678 PUBCMCID 13293131 DR2678 DFORMULA C6H7NO DR2678 INCHIKEY YZBQHRLRFGPBSL-RXMQYKEDSA-N DR2678 DRUINCHI 1S/C6H7NO/c8-6-4-5-2-1-3-7(5)6/h1,3,5H,2,4H2/t5-/m1/s1 DR2678 CASMILES C1C=CN2C1CC2=O DR2678 CHEBINUM 46765 DR2679 DRUG__ID DR2679 DR2679 DRUGNAME Ceftazidine DR2679 PUBCMCID 13505813 DR2679 DFORMULA C22H24N6O8S2 DR2679 INCHIKEY GCZOCVAKBHTGOL-ROMZVAKDSA-N DR2679 DRUINCHI 1S/C22H22N6O7S2.H2O/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27;/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34);1H2/b26-13-;/t14-,18-;/m1./s1 DR2679 CASMILES CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)O.[OH-] DR2680 DRUG__ID DR2680 DR2680 DRUGNAME Aurachin DR2680 PUBCMCID 13746957 DR2680 DFORMULA C26H32N2O2 DR2680 INCHIKEY CQZZUPSXBXLXRM-CFBAGHHKSA-N DR2680 DRUINCHI 1S/C26H32N2O2/c1-17(2)9-6-10-18(3)11-7-12-19(4)15-16-21-20(5)28-24-22(25(21)29)13-8-14-23(24)27-26(28)30/h8-9,11,13-15H,6-7,10,12,16H2,1-5H3,(H,27,30)/b18-11+,19-15+ DR2680 CASMILES CC1=C(C(=O)C2=C3N1C(=O)NC3=CC=C2)CC=C(C)CCC=C(C)CCC=C(C)C DR2680 CAS__NUM CAS 113366-10-2 DR2681 DRUG__ID DR2681 DR2681 DRUGNAME Glucopyranosyl oleanolate DR2681 PUBCMCID 14189384 DR2681 DFORMULA C36H58O8 DR2681 INCHIKEY KMKFOIBUKYMVRJ-YHFBEQRYSA-N DR2681 DRUINCHI 1S/C36H58O8/c1-31(2)14-16-36(30(42)44-29-28(41)27(40)26(39)22(19-37)43-29)17-15-34(6)20(21(36)18-31)8-9-24-33(5)12-11-25(38)32(3,4)23(33)10-13-35(24,34)7/h8,21-29,37-41H,9-19H2,1-7H3/t21-,22+,23-,24+,25-,26+,27-,28+,29-,33-,34+,35+,36-/m0/s1 DR2681 CASMILES CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C DR2681 CAS__NUM CAS 14162-53-9 DR2681 CHEBINUM 67985 DR2682 DRUG__ID DR2682 DR2682 DRUGNAME Phosethanolamine DR2682 PUBCMCID 16040250 DR2682 DFORMULA C39H78NO8P DR2682 INCHIKEY RPJZYOHZALDGKI-QNGWXLTQSA-N DR2682 DRUINCHI 1S/C39H78NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h37H,3-36,40H2,1-2H3,(H,43,44)/t37-/m0/s1 DR2682 CASMILES CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN DR2683 DRUG__ID DR2683 DR2683 DRUGNAME PR-39 DR2683 PUBCMCID 16198954 DR2683 DFORMULA C229H345N69O41 DR2683 INCHIKEY JTJJGVCUEGCBHL-IWDHFESKSA-N DR2683 DRUINCHI 1S/C229H345N69O41/c1-7-135(6)181(218(337)297-122-50-89-178(297)216(335)283-108-33-72-161(283)190(309)261-132-180(300)262-157(128-137-54-15-9-16-55-137)206(325)293-118-46-84-173(293)212(331)284-109-37-77-166(284)192(311)265-146(65-26-98-254-223(237)238)185(304)276-158(129-138-56-17-10-18-57-138)207(326)294-119-47-85-174(294)213(332)286-111-39-78-167(286)193(312)266-147(66-27-99-255-224(239)240)186(305)277-160(131-140-60-21-12-22-61-140)209(328)298-123-51-90-179(298)219(338)339)279-187(306)148(67-28-100-256-225(241)242)267-194(313)168-79-40-112-287(168)211(330)172-83-45-117-292(172)205(324)156(125-134(4)5)274-184(303)145(64-25-97-253-222(235)236)264-191(310)165-76-38-110-285(165)214(333)175-86-48-120-295(175)208(327)159(130-139-58-19-11-20-59-139)278-189(308)153(126-136-52-13-8-14-53-136)272-198(317)170-81-42-114-289(170)215(334)177-88-49-121-296(177)217(336)176-87-44-116-291(176)203(322)152(71-32-104-260-229(249)250)271-196(315)163-74-35-106-281(163)201(320)150(69-30-102-258-227(245)246)269-197(316)164-75-36-107-282(164)204(323)155(124-133(2)3)275-188(307)154(127-141-91-93-142(299)94-92-141)273-199(318)169-80-41-113-288(169)210(329)171-82-43-115-290(171)202(321)151(70-31-103-259-228(247)248)270-195(314)162-73-34-105-280(162)200(319)149(68-29-101-257-226(243)244)268-183(302)144(63-24-96-252-221(233)234)263-182(301)143(230)62-23-95-251-220(231)232/h8-22,52-61,91-94,133-135,143-179,181,299H,7,23-51,62-90,95-132,230H2,1-6H3,(H,261,309)(H,262,300)(H,263,301)(H,264,310)(H,265,311)(H,266,312)(H,267,313)(H,268,302)(H,269,316)(H,270,314)(H,271,315)(H,272,317)(H,273,318)(H,274,303)(H,275,307)(H,276,304)(H,277,305)(H,278,308)(H,279,306)(H,338,339)(H4,231,232,251)(H4,233,234,252)(H4,235,236,253)(H4,237,238,254)(H4,239,240,255)(H4,241,242,256)(H4,243,244,257)(H4,245,246,258)(H4,247,248,259)(H4,249,250,260)/t135-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,181-/m0/s1 DR2683 CASMILES CCC(C)C(C(=O)N1CCCC1C(=O)N2CCCC2C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)N4CCCC4C(=O)N5CCCC5C(=O)NC(CCCNC(=N)N)C(=O)NC(CC6=CC=CC=C6)C(=O)N7CCCC7C(=O)N8CCCC8C(=O)NC(CCCNC(=N)N)C(=O)NC(CC9=CC=CC=C9)C(=O)N1CCCC1C(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CC1=CC=CC=C1)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N DR2683 CAS__NUM CAS 139637-11-9 DR2684 DRUG__ID DR2684 DR2684 DRUGNAME FT-0624878 DR2684 PUBCMCID 16211032 DR2684 DFORMULA C12H22O11 DR2684 INCHIKEY GUBGYTABKSRVRQ-WFVLMXAXSA-N DR2684 DRUINCHI 1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11?,12+/m1/s1 DR2684 CASMILES C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O DR2684 CAS__NUM CAS 9004-34-6 DR2686 DRUG__ID DR2686 DR2686 DRUGNAME Kalopanaxsaponin J DR2686 PUBCMCID 21577273 DR2686 DFORMULA C52H84O20 DR2686 INCHIKEY SQMQSLVVHZAFKJ-RQZRKUQTSA-N DR2686 DRUINCHI 1S/C52H84O20/c1-23-32(55)40(71-42-37(60)35(58)28(22-66-42)69-43-38(61)36(59)34(57)27(20-53)68-43)39(62)44(67-23)72-41-33(56)26(54)21-65-45(41)70-31-12-13-49(6)29(48(31,4)5)11-14-51(8)30(49)10-9-24-25-19-47(2,3)15-17-52(25,46(63)64)18-16-50(24,51)7/h9,23,25-45,53-62H,10-22H2,1-8H3,(H,63,64)/t23-,25-,26-,27+,28+,29-,30+,31-,32-,33-,34+,35-,36-,37+,38+,39+,40+,41+,42-,43-,44-,45-,49-,50+,51+,52-/m0/s1 DR2686 CASMILES CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)C)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)OC8C(C(C(CO8)OC9C(C(C(C(O9)CO)O)O)O)O)O)O DR2690 DRUG__ID DR2690 DR2690 DRUGNAME Sinigrin DR2690 PUBCMCID 23682211 DR2690 DFORMULA C10H16KNO9S2 DR2690 INCHIKEY QKFAFSGJTMHRRY-OCFLFPRFSA-M DR2690 DRUINCHI 1S/C10H17NO9S2.K/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10;/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18);/q;+1/p-1/b11-6+;/t5-,7-,8+,9-,10+;/m1./s1 DR2690 CASMILES C=CCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.[K+] DR2690 CAS__NUM CAS 3952-98-5 DR2692 DRUG__ID DR2692 DR2692 DRUGNAME Cephalosporin DR2692 PUBCMCID 3037114 DR2692 TTDRUGID D07JVS DR2692 DFORMULA C15H21N3O7S DR2692 INCHIKEY JGKXEMYIHDYWCZ-JFUSQASVSA-N DR2692 DRUINCHI 1S/C15H21N3O7S/c1-7-6-26-12(18-10(7)14(22)23)11(15(24)25)17-9(19)5-3-2-4-8(16)13(20)21/h8,11-12H,1-6,16H2,(H,17,19)(H,20,21)(H,22,23)(H,24,25)/t8-,11+,12-/m1/s1 DR2692 CASMILES C=C1CSC(N=C1C(=O)O)C(C(=O)O)NC(=O)CCCCC(C(=O)O)N DR2692 CAS__NUM CAS 73384-59-5 DR2692 PUBCMSID 56394505; 104251794 DR2693 DRUG__ID DR2693 DR2693 DRUGNAME Gypenoside XVII DR2693 PUBCMCID 44584555 DR2693 DFORMULA C48H82O18 DR2693 INCHIKEY ZRBFCAALKKNCJG-SJYBZOGZSA-N DR2693 DRUINCHI 1S/C48H82O18/c1-22(2)10-9-14-48(8,66-43-40(60)37(57)34(54)27(64-43)21-61-41-38(58)35(55)32(52)25(19-49)62-41)23-11-16-47(7)31(23)24(51)18-29-45(5)15-13-30(44(3,4)28(45)12-17-46(29,47)6)65-42-39(59)36(56)33(53)26(20-50)63-42/h10,23-43,49-60H,9,11-21H2,1-8H3/t23-,24+,25+,26+,27+,28-,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-,43-,45-,46+,47+,48-/m0/s1 DR2693 CASMILES CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)O)C)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)O)C DR2693 CAS__NUM CAS 80321-69-3 DR2693 CHEBINUM 77155 DR2694 DRUG__ID DR2694 DR2694 DRUGNAME Mannotetraose DR2694 PUBCMCID 53477669 DR2694 DFORMULA C24H42O21 DR2694 INCHIKEY LUEWUZLMQUOBSB-MHJOMNRISA-N DR2694 DRUINCHI 1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16+,17+,18-,19-,20-,21?,22+,23+,24+/m1/s1 DR2694 CASMILES C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)O)CO)CO)CO)O)O)O)O DR2694 CAS__NUM CAS 51327-76-5 DR2694 CHEBINUM 62973 DR2697 DRUG__ID DR2697 DR2697 DRUGNAME Oxytetracycline DR2697 PUBCMCID 54675779 DR2697 DFORMULA C22H24N2O9 DR2697 INCHIKEY OWFJMIVZYSDULZ-PXOLEDIWSA-N DR2697 DRUINCHI 1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1 DR2697 CASMILES CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O DR2697 CAS__NUM CAS 79-57-2 DR2697 CHEBINUM 27701 DR2700 DRUG__ID DR2700 DR2700 DRUGNAME Indomethacin glucuronide DR2700 PUBCMCID 70691027 DR2700 DFORMULA C25H24ClNO10 DR2700 INCHIKEY QCBWEVBGELGABM-CZLVRFMKSA-N DR2700 DRUINCHI 1S/C25H24ClNO10/c1-11-15(10-18(28)36-25-21(31)19(29)20(30)22(37-25)24(33)34)16-9-14(35-2)7-8-17(16)27(11)23(32)12-3-5-13(26)6-4-12/h3-9,19-22,25,29-31H,10H2,1-2H3,(H,33,34)/t19-,20-,21+,22-,25+/m0/s1 DR2700 CASMILES CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OC4C(C(C(C(O4)C(=O)O)O)O)O DR2700 CAS__NUM CAS 75523-11-4 DR2701 DRUG__ID DR2701 DR2701 DRUGNAME Kalopanaxsaponin K DR2701 PUBCMCID 102377999 DR2701 DFORMULA C70H114O34 DR2701 INCHIKEY COIHWEMJSUDENE-XMFLCGCISA-N DR2701 DRUINCHI 1S/C70H114O34/c1-26-38(74)44(80)49(85)59(94-26)101-54-32(22-72)97-57(52(88)47(54)83)92-24-33-42(78)46(82)51(87)61(99-33)104-64(90)70-18-16-65(3,4)20-29(70)28-10-11-36-67(7)14-13-37(66(5,6)35(67)12-15-69(36,9)68(28,8)17-19-70)100-63-56(40(76)30(73)23-91-63)103-62-53(89)55(39(75)27(2)95-62)102-58-48(84)43(79)34(25-93-58)98-60-50(86)45(81)41(77)31(21-71)96-60/h10,26-27,29-63,71-89H,11-25H2,1-9H3/t26-,27-,29-,30-,31+,32+,33+,34+,35-,36+,37-,38-,39-,40-,41+,42+,43-,44+,45-,46-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58-,59-,60-,61-,62-,63-,67-,68+,69+,70-/m0/s1 DR2701 CASMILES CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)C)OC9C(C(C(CO9)O)O)OC1C(C(C(C(O1)C)O)OC1C(C(C(CO1)OC1C(C(C(C(O1)CO)O)O)O)O)O)O)C)(C)C)O)O)O)CO)O)O)O DR2704 DRUG__ID DR2704 DR2704 DRUGNAME VUFB-11502 DR2704 PUBCMCID 135412736 DR2704 DFORMULA C12H9N5O3 DR2704 INCHIKEY MBCZYLSVSCJJJQ-VGOFMYFVSA-N DR2704 DRUINCHI 1S/C12H9N5O3/c13-6-5-12(18)15-14-7-9-8-16(19)10-3-1-2-4-11(10)17(9)20/h1-4,7-8H,5H2,(H,15,18)/b14-7+ DR2704 CASMILES C1=CC=C2C(=C1)[N+](=CC(=[N+]2[O-])C=NNC(=O)CC#N)[O-] DR2704 CAS__NUM CAS 65884-46-0 DR2710 DRUG__ID DR2710 DR2710 DRUGNAME PhIP DR2710 PUBCMCID 1530 DR2710 TTDRUGID D00ZAJ DR2710 DFORMULA C13H12N4 DR2710 INCHIKEY UQVKZNNCIHJZLS-UHFFFAOYSA-N DR2710 DRUINCHI 1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16) DR2710 CASMILES CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1N DR2710 CAS__NUM CAS 105650-23-5 DR2710 CHEBINUM 76290 DR2710 PUBCMSID 3157795; 5575539; 7889895; 8151167; 14773663; 24439858; 26706921; 47205348; 47213254; 49655368; 49981200; 50077334; 53790715; 56311095; 57320930; 69519515; 75586395; 84933929; 85083684; 88802108; 99444869; 103101540; 104239441; 104297984; 117521388; 125362482; 129407608; 135020564; 137009621; 144233754; 160969439; 162127724; 162271907; 162476045; 164223590; 164796165; 164835618; 170474404; 174558552; 184564905; 198966617; 202556526; 204414277; 215774860; 223515797; 223541200; 226516667; 249790662; 252330901 DR2714 DRUG__ID DR2714 DR2714 DRUGNAME Naphthoquinone DR2714 PUBCMCID 8530 DR2714 TTDRUGID D0DQ6Z DR2714 DFORMULA C10H6O2 DR2714 INCHIKEY FRASJONUBLZVQX-UHFFFAOYSA-N DR2714 DRUINCHI 1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H DR2714 CASMILES C1=CC=C2C(=O)C=CC(=O)C2=C1 DR2714 CAS__NUM CAS 130-15-4 DR2714 CHEBINUM 27418 DR2714 PUBCMSID 5602; 75035; 588830; 600877; 3136613; 5943270; 8139885; 8156025; 10506347; 10852286; 11371688; 11374908; 11484077; 11488297; 11490570; 11493059; 12055864; 14793918; 17425041; 24849257; 26679313; 26757484; 29204424; 29227205; 32581857; 38374893; 48259572; 49996619; 50111628; 53787433; 56269727; 56370075; 57325077; 57390733; 77852366; 85247019; 87573450; 88811914; 93618177; 102851577; 103240920; 103811485; 104318097; 109454404; 117586811; 124637355; 125275433; 125339839; 126545966; 126677177 DR2715 DRUG__ID DR2715 DR2715 DRUGNAME Acetyl benzoyl DR2715 PUBCMCID 11363 DR2715 TTDRUGID D02TLP DR2715 DFORMULA C9H8O2 DR2715 INCHIKEY BVQVLAIMHVDZEL-UHFFFAOYSA-N DR2715 DRUINCHI 1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3 DR2715 CASMILES CC(=O)C(=O)C1=CC=CC=C1 DR2715 CAS__NUM CAS 579-07-7 DR2715 CHEBINUM 63552 DR2717 DRUG__ID DR2717 DR2717 DRUGNAME Cotrimoxazole DR2717 PUBCMCID 24719 DR2717 DFORMULA C25H30N6O6S DR2717 INCHIKEY CTNTUFQBOKZSPI-UHFFFAOYSA-N DR2717 DRUINCHI 1S/C14H18N4O3.C11H12N2O3S/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;1-8-6-10(13-16-8)7-17(14,15)11-4-2-9(12)3-5-11/h5-7H,4H2,1-3H3,(H4,15,16,17,18);2-6H,7,12H2,1H3 DR2717 CASMILES CC1=CC(=NO1)CS(=O)(=O)C2=CC=C(C=C2)N.COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N DR2718 DRUG__ID DR2718 DR2718 DRUGNAME Inulin DR2718 PUBCMCID 24763 DR2718 DFORMULA C228H382O191 DR2718 INCHIKEY JYJIGFIDKWBXDU-MNNPPOADSA-N DR2718 DRUINCHI 1S/C228H382O191/c229-1-76-114(268)152(306)153(307)191(381-76)419-228(190(344)151(305)113(38-266)418-228)75-380-227(189(343)150(304)112(37-265)417-227)74-379-226(188(342)149(303)111(36-264)416-226)73-378-225(187(341)148(302)110(35-263)415-225)72-377-224(186(340)147(301)109(34-262)414-224)71-376-223(185(339)146(300)108(33-261)413-223)70-375-222(184(338)145(299)107(32-260)412-222)69-374-221(183(337)144(298)106(31-259)411-221)68-373-220(182(336)143(297)105(30-258)410-220)67-372-219(181(335)142(296)104(29-257)409-219)66-371-218(180(334)141(295)103(28-256)408-218)65-370-217(179(333)140(294)102(27-255)407-217)64-369-216(178(332)139(293)101(26-254)406-216)63-368-215(177(331)138(292)100(25-253)405-215)62-367-214(176(330)137(291)99(24-252)404-214)61-366-213(175(329)136(290)98(23-251)403-213)60-365-212(174(328)135(289)97(22-250)402-212)59-364-211(173(327)134(288)96(21-249)401-211)58-363-210(172(326)133(287)95(20-248)400-210)57-362-209(171(325)132(286)94(19-247)399-209)56-361-208(170(324)131(285)93(18-246)398-208)55-360-207(169(323)130(284)92(17-245)397-207)54-359-206(168(322)129(283)91(16-244)396-206)53-358-205(167(321)128(282)90(15-243)395-205)52-357-204(166(320)127(281)89(14-242)394-204)51-356-203(165(319)126(280)88(13-241)393-203)50-355-202(164(318)125(279)87(12-240)392-202)49-354-201(163(317)124(278)86(11-239)391-201)48-353-200(162(316)123(277)85(10-238)390-200)47-352-199(161(315)122(276)84(9-237)389-199)46-351-198(160(314)121(275)83(8-236)388-198)45-350-197(159(313)120(274)82(7-235)387-197)44-349-196(158(312)119(273)81(6-234)386-196)43-348-195(157(311)118(272)80(5-233)385-195)42-347-194(156(310)117(271)79(4-232)384-194)41-346-193(155(309)116(270)78(3-231)383-193)40-345-192(39-267)154(308)115(269)77(2-230)382-192/h76-191,229-344H,1-75H2/t76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152+,153-,154+,155+,156+,157+,158+,159+,160+,161+,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+,175+,176+,177+,178+,179+,180+,181+,182+,183+,184+,185+,186+,187+,188+,189+,190+,191-,192-,193-,194-,195-,196-,197-,198-,199-,200-,201-,202-,203-,204-,205-,206-,207-,208-,209-,210-,211-,212-,213-,214-,215-,216-,217-,218-,219-,220-,221-,222-,223-,224-,225-,226-,227-,228+/m1/s1 DR2718 CASMILES C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)COC3(C(C(C(O3)CO)O)O)COC4(C(C(C(O4)CO)O)O)COC5(C(C(C(O5)CO)O)O)COC6(C(C(C(O6)CO)O)O)COC7(C(C(C(O7)CO)O)O)COC8(C(C(C(O8)CO)O)O)COC9(C(C(C(O9)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)CO)O)O)O)O DR2718 CAS__NUM CAS 9005-80-5 DR2720 DRUG__ID DR2720 DR2720 DRUGNAME LS-71719 DR2720 PUBCMCID 165512 DR2720 DFORMULA C18H32O16 DR2720 INCHIKEY RXVWSYJTUUKTEA-DSOVBJLESA-N DR2720 DRUINCHI 1S/C18H32O16/c19-1-5(23)9(25)15(6(24)2-20)33-18-14(30)12(28)16(8(4-22)32-18)34-17-13(29)11(27)10(26)7(3-21)31-17/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10-,11-,12+,13+,14+,15+,16-,17-,18-/m0/s1 DR2720 CASMILES C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC(C(CO)O)C(C(C=O)O)O)CO)O)O)O)O DR2720 CAS__NUM CAS 6587-31-1 DR2721 DRUG__ID DR2721 DR2721 DRUGNAME AS-63093 DR2721 PUBCMCID 348154 DR2721 DFORMULA C9H10O4 DR2721 INCHIKEY DZAUWHJDUNRCTF-UHFFFAOYSA-N DR2721 DRUINCHI 1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13) DR2721 CASMILES C1=CC(=C(C=C1CCC(=O)O)O)O DR2721 CAS__NUM CAS 71693-95-3 DR2721 CHEBINUM 48400 DR2722 DRUG__ID DR2722 DR2722 DRUGNAME FT-0669759 DR2722 PUBCMCID 2752054 DR2722 DFORMULA C10H12O4 DR2722 INCHIKEY ZVIJTQFTLXXGJA-UHFFFAOYSA-N DR2722 DRUINCHI 1S/C10H12O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13) DR2722 CASMILES COC1=C(C=C(C=C1)CCC(=O)O)O DR2722 CAS__NUM CAS 1135-15-5 DR2723 DRUG__ID DR2723 DR2723 DRUGNAME Glypromate DR2723 PUBCMCID 3080768 DR2723 DFORMULA C12H19N3O6 DR2723 INCHIKEY JJGBXTYGTKWGAT-YUMQZZPRSA-N DR2723 DRUINCHI 1S/C12H19N3O6/c13-6-9(16)15-5-1-2-8(15)11(19)14-7(12(20)21)3-4-10(17)18/h7-8H,1-6,13H2,(H,14,19)(H,17,18)(H,20,21)/t7-,8-/m0/s1 DR2723 CASMILES C1CC(N(C1)C(=O)CN)C(=O)NC(CCC(=O)O)C(=O)O DR2723 CAS__NUM CAS 32302-76-4 DR2724 DRUG__ID DR2724 DR2724 DRUGNAME Hyaluronan DR2724 PUBCMCID 3084049 DR2724 TTDRUGID D07BSE DR2724 DFORMULA C28H44N2NaO23+ DR2724 INCHIKEY YWIVKILSMZOHHF-QJZPQSOGSA-N DR2724 DRUINCHI 1S/C28H44N2O23.Na/c1-5(33)29-9-18(11(35)7(3-31)47-25(9)46)49-28-17(41)15(39)20(22(53-28)24(44)45)51-26-10(30-6(2)34)19(12(36)8(4-32)48-26)50-27-16(40)13(37)14(38)21(52-27)23(42)43;/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45);/q;+1/t7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19-,20+,21+,22+,25-,26+,27-,28-;/m1./s1 DR2724 CASMILES CC(=O)NC1C(C(C(OC1O)CO)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)NC(=O)C)O)O.[Na+] DR2724 CAS__NUM CAS 9067-32-7 DR2724 PUBCMSID 36414352; 49976996; 57355653; 76357960; 99373586; 111689167; 126669945; 135232288; 137114778; 137213496; 152036029; 164810996; 178101652; 184536753; 223434600; 223684986; 252215555; 252449989 DR2725 DRUG__ID DR2725 DR2725 DRUGNAME PNB-D-glucuronide DR2725 PUBCMCID 3291162 DR2725 DFORMULA C12H13NO9 DR2725 INCHIKEY QSUILVWOWLUOEU-UHFFFAOYSA-N DR2725 DRUINCHI 1S/C12H13NO9/c14-7-8(15)10(11(17)18)22-12(9(7)16)21-6-3-1-5(2-4-6)13(19)20/h1-4,7-10,12,14-16H,(H,17,18) DR2725 CASMILES C1=CC(=CC=C1[N+](=O)[O-])OC2C(C(C(C(O2)C(=O)O)O)O)O DR2725 CAS__NUM CAS 39031-76-0 DR2726 DRUG__ID DR2726 DR2726 DRUGNAME Ircinal A DR2726 PUBCMCID 5270588 DR2726 DFORMULA C26H38N2O2 DR2726 INCHIKEY VGYIUIBYSYNRNZ-ZDWSRKPSSA-N DR2726 DRUINCHI 1S/C26H38N2O2/c29-19-21-17-26(30)13-8-4-1-2-5-9-14-27-16-12-23(21)25(20-27)18-22-11-7-3-6-10-15-28(22)24(25)26/h1,4,7,11,17,19,22-24,30H,2-3,5-6,8-10,12-16,18,20H2/b4-1-,11-7-/t22-,23-,24+,25-,26-/m0/s1 DR2726 CASMILES C1CCN2CCC3C(=CC(CCC=CC1)(C4C3(C2)CC5N4CCCCC=C5)O)C=O DR2726 CAS__NUM CAS 139975-55-6 DR2727 DRUG__ID DR2727 DR2727 DRUGNAME Hydroxymanzamine A DR2727 PUBCMCID 5270765 DR2727 TTDRUGID D09ITI DR2727 DFORMULA C36H44N4O2 DR2727 INCHIKEY AMSNINGPDSUBHZ-WAUQNXBMSA-N DR2727 DRUINCHI 1S/C36H44N4O2/c41-30-14-11-13-26-27-15-18-37-32(33(27)38-31(26)30)28-23-36(42)17-8-4-1-2-5-9-19-39-21-16-29(28)35(24-39)22-25-12-7-3-6-10-20-40(25)34(35)36/h1,4,7,11-15,18,23,25,29,34,38,41-42H,2-3,5-6,8-10,16-17,19-22,24H2/b4-1-,12-7-/t25-,29-,34+,35-,36-/m0/s1 DR2727 CASMILES C1CCN2CCC3C(=CC(CCC=CC1)(C4C3(C2)CC5N4CCCCC=C5)O)C6=NC=CC7=C6NC8=C7C=CC=C8O DR2727 CAS__NUM CAS 154466-37-2 DR2727 CHEBINUM 66669 DR2728 DRUG__ID DR2728 DR2728 DRUGNAME Bovinic acid DR2728 PUBCMCID 5280644 DR2728 DFORMULA C18H32O2 DR2728 INCHIKEY JBYXPOFIGCOSSB-GOJKSUSPSA-N DR2728 DRUINCHI 1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9- DR2728 CASMILES CCCCCCC=CC=CCCCCCCCC(=O)O DR2728 CAS__NUM CAS 2540-56-9 DR2728 CHEBINUM 32798 DR2730 DRUG__ID DR2730 DR2730 DRUGNAME Spirapril DR2730 PUBCMCID 5311447 DR2730 TTDRUGID D05MFG DR2730 DFORMULA C22H30N2O5S2 DR2730 INCHIKEY HRWCVUIFMSZDJS-SZMVWBNQSA-N DR2730 DRUINCHI 1S/C22H30N2O5S2/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27)/t15-,17-,18-/m0/s1 DR2730 CASMILES CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3(CC2C(=O)O)SCCS3 DR2730 CAS__NUM CAS 83647-97-6 DR2730 CHEBINUM 135756 DR2730 PUBCMSID 7980648; 11056512; 12013873; 14858420; 39341121; 46506126; 49964144; 57359484; 79446638; 96025214; 103165488; 103928452; 114156121; 128104191; 134223240; 134338188; 135049040; 137003827; 141328414; 160964639; 163693574; 163852855; 178103189; 179151271; 198942493; 223621315; 224854639; 226407318; 252356740 DR2734 DRUG__ID DR2734 DR2734 DRUGNAME Manzamine F DR2734 PUBCMCID 6474225 DR2734 DFORMULA C36H44N4O3 DR2734 INCHIKEY KYLZDBBEWRTKTG-UNFYSDSNSA-N DR2734 DRUINCHI 1S/C36H44N4O3/c41-25-9-8-19-40-24(12-13-25)21-35-23-39-18-6-4-2-1-3-5-16-36(43,34(35)40)22-28(29(35)15-20-39)32-33-27(14-17-37-32)26-10-7-11-30(42)31(26)38-33/h1,3,7,10-11,14,17,22,24,29,34,38,42-43H,2,4-6,8-9,12-13,15-16,18-21,23H2/b3-1-/t24?,29-,34+,35-,36-/m0/s1 DR2734 CASMILES C1CCN2CCC3C(=CC(CCC=CC1)(C4C3(C2)CC5N4CCCC(=O)CC5)O)C6=NC=CC7=C6NC8=C7C=CC=C8O DR2735 DRUG__ID DR2735 DR2735 DRUGNAME Manzamine A DR2735 PUBCMCID 6509753 DR2735 DFORMULA C36H44N4O DR2735 INCHIKEY FUCSLKWLLSEMDQ-MKYGIPPKSA-N DR2735 DRUINCHI 1S/C36H44N4O/c41-36-18-10-4-1-2-5-11-20-39-22-17-30(35(25-39)23-26-13-7-3-6-12-21-40(26)34(35)36)29(24-36)32-33-28(16-19-37-32)27-14-8-9-15-31(27)38-33/h1,4,7-9,13-16,19,24,26,30,34,38,41H,2-3,5-6,10-12,17-18,20-23,25H2/b4-1-,13-7-/t26-,30-,34+,35-,36-/m0/s1 DR2735 CASMILES C1CCN2CCC3C(=CC(CCC=CC1)(C4C3(C2)CC5N4CCCCC=C5)O)C6=NC=CC7=C6NC8=CC=CC=C78 DR2735 CAS__NUM CAS 104196-68-1 DR2735 CHEBINUM 66667 DR2736 DRUG__ID DR2736 DR2736 DRUGNAME Enalaprilat DR2736 PUBCMCID 6850776 DR2736 DFORMULA C35H52O6 DR2736 INCHIKEY QCVRFSPGUWEKFC-ILHSMLOTSA-N DR2736 DRUINCHI 1S/C18H28O3.C17H24O3/c1-4-5-6-7-14(2)12-16(19)10-8-15-9-11-17(20)18(13-15)21-3;1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h9,11,13-14,20H,4-8,10,12H2,1-3H3;7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b;8-7+ DR2736 CASMILES CCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)OC.CCCCCC(C)CC(=O)CCC1=CC(=C(C=C1)O)OC DR2736 CAS__NUM CAS 84696-15-1 DR2739 DRUG__ID DR2739 DR2739 DRUGNAME Ginsenoside Rg1 DR2739 PUBCMCID 13386145 DR2739 DFORMULA C41H70O12 DR2739 INCHIKEY DGSOBIYFLJXVQZ-UHFFFAOYSA-N DR2739 DRUINCHI 1S/C41H70O12/c1-21(2)10-9-14-41(8,49)22-11-16-40(7)29(22)23(42)18-27-38(5)15-13-28(37(3,4)26(38)12-17-39(27,40)6)53-36-34(48)32(46)31(45)25(52-36)20-51-35-33(47)30(44)24(43)19-50-35/h10,22-36,42-49H,9,11-20H2,1-8H3 DR2739 CASMILES CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)COC6C(C(C(CO6)O)O)O)O)O)O)C)C)O)C)O)C DR2739 CAS__NUM CAS 59252-86-7 DR2739 CHEBINUM 81171 DR2741 DRUG__ID DR2741 DR2741 DRUGNAME VS-12343 DR2741 PUBCMCID 16394497 DR2741 DFORMULA C28H34O15 DR2741 INCHIKEY QUQPHWDTPGMPEX-SGHBVPQBSA-N DR2741 DRUINCHI 1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10?,17-,19?,21?,22?,23?,24?,25?,26?,27?,28?/m0/s1 DR2741 CASMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O DR2741 CAS__NUM CAS 520-26-3 DR2742 DRUG__ID DR2742 DR2742 DRUGNAME SC-46553 DR2742 PUBCMCID 24721561 DR2742 DFORMULA C48H82O19 DR2742 INCHIKEY FBFMBWCLBGQEBU-RXMALORBSA-N DR2742 DRUINCHI 1S/C48H82O19/c1-21(2)10-9-13-48(8,67-42-38(61)35(58)32(55)26(19-50)64-42)22-11-15-46(6)30(22)23(52)16-28-45(5)14-12-29(53)44(3,4)40(45)24(17-47(28,46)7)62-43-39(36(59)33(56)27(20-51)65-43)66-41-37(60)34(57)31(54)25(18-49)63-41/h10,22-43,49-61H,9,11-20H2,1-8H3/t22-,23+,24-,25+,26+,27+,28+,29-,30-,31+,32+,33+,34-,35-,36-,37+,38+,39+,40-,41-,42-,43+,45+,46+,47+,48-/m0/s1 DR2742 CASMILES CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)O)C)OC7C(C(C(C(O7)CO)O)O)O)C DR2743 DRUG__ID DR2743 DR2743 DRUGNAME Hyaluronic acid DR2743 PUBCMCID 24847767 DR2743 DFORMULA C33H54N2O23 DR2743 INCHIKEY BVOZFCOTOYGLGD-VPQOAABJSA-N DR2743 DRUINCHI 1S/C33H54N2O23/c1-10(38)34-18-12(7-53-31-24(44)22(42)23(43)26(57-31)29(48)49)20(40)15(4-36)55-17(18)9-52-6-14-25(28(46)47)58-32(33(3,51)27(14)45)54-8-13-19(35-11(2)39)30(50)56-16(5-37)21(13)41/h12-27,30-32,36-37,40-45,50-51H,4-9H2,1-3H3,(H,34,38)(H,35,39)(H,46,47)(H,48,49)/t12-,13-,14+,15?,16?,17-,18?,19?,20-,21-,22+,23-,24?,25?,26?,27+,30+,31+,32+,33?/m0/s1 DR2743 CASMILES CC(=O)NC1C(C(C(OC1COCC2C(OC(C(C2O)(C)O)OCC3C(C(OC(C3O)CO)O)NC(=O)C)C(=O)O)CO)O)COC4C(C(C(C(O4)C(=O)O)O)O)O DR2753 DRUG__ID DR2753 DR2753 DRUGNAME Glucose-bisphosphate DR2753 PUBCMCID 82400 DR2760 DRUG__ID DR2760 DR2760 DRUGNAME Nitrobenzoate DR2760 PUBCMCID 4419940 DR2760 DFORMULA C7H4NO4- DR2760 INCHIKEY OTLNPYWUJOZPPA-UHFFFAOYSA-M DR2760 DRUINCHI 1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)/p-1 DR2760 CASMILES C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-] DR2760 CAS__NUM CAS 7227-54-5 DR2760 CHEBINUM 142863 DR2765 DRUG__ID DR2765 DR2765 DRUGNAME Methylthioribose phosphate DR2765 PUBCMCID 53477720 DR2765 DFORMULA C6H13O7PS DR2765 INCHIKEY JTFITTQBRJDSTL-WATOWXBHSA-N DR2765 DRUINCHI 1S/C6H13O7PS/c1-15-2-3-4(7)5(8)6(12-3)13-14(9,10)11/h3-8H,2H2,1H3,(H2,9,10,11)/t3?,4-,5-,6?/m1/s1 DR2765 CASMILES CSCC1C(C(C(O1)OP(=O)(O)O)O)O DR2765 CAS__NUM CAS 72843-83-5 DR2780 DRUG__ID DR2780 DR2780 DRUGNAME Bacitracin DR2780 PUBCMCID 3083711 DR2780 DFORMULA C66H103N17O16SZn DR2780 INCHIKEY QSNOBVJFKSQBBD-UHFFFAOYSA-N DR2780 DRUINCHI 1S/C66H103N17O16S.Zn/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90;/h12-14,18-19,31,33-37,39-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88); DR2780 CASMILES CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCCCC(C(=O)NC(C(=O)N1)CCCN)NC(=O)C(C(C)CC)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C2CSC(=N2)C(C(C)CC)N)CC(=O)N)CC(=O)O)CC3C=NC=N3)CC4=CC=CC=C4.[Zn] DR2780 CAS__NUM CAS 1405-89-6 DR2787 DRUG__ID DR2787 DR2787 DRUGNAME NOCAS-43717 DR2787 PUBCMCID 5288898 DR2807 DRUG__ID DR2807 DR2807 DRUGNAME Lactose DR2807 PUBCMCID 6134 DR2807 DFORMULA C12H22O11 DR2807 INCHIKEY GUBGYTABKSRVRQ-DCSYEGIMSA-N DR2807 DRUINCHI 1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1 DR2807 CASMILES C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O DR2807 CAS__NUM CAS 5965-66-2 DR2807 CHEBINUM 36218 DR2809 DRUG__ID DR2809 DR2809 DRUGNAME NSC-14983 DR2809 PUBCMCID 93072 DR2809 DFORMULA C5H8N2O5 DR2809 INCHIKEY HLKXYZVTANABHZ-REOHCLBHSA-N DR2809 DRUINCHI 1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)/t2-/m0/s1 DR2809 CASMILES C(C(C(=O)O)NC(=O)N)C(=O)O DR2809 CAS__NUM CAS 13184-27-5 DR2809 CHEBINUM 15859 DR2825 DRUG__ID DR2825 DR2825 DRUGNAME Nitroprusside DR2825 PUBCMCID 11953895 DR2825 DFORMULA C5H4FeN6Na2O3 DR2825 INCHIKEY XRKMNJXYOFSTBE-UHFFFAOYSA-N DR2825 DRUINCHI 1S/5CN.Fe.NO.2Na.2H2O/c5*1-2;;1-2;;;;/h;;;;;;;;;2*1H2/q5*-1;+4;-1;2*+1;; DR2825 CASMILES [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[N-]=O.O.O.[Na+].[Na+].[Fe+4] DR2825 CAS__NUM CAS 13755-38-9 DR2825 CHEBINUM 9179 DR2826 DRUG__ID DR2826 DR2826 DRUGNAME Nivolumab DR2837 DRUG__ID DR2837 DR2837 DRUGNAME PhIP glucuronide DR2837 PUBCMCID 71313317 DR2837 DFORMULA C19H20N4O6 DR2837 INCHIKEY SQVPGYDPSLNFET-KSXIZUIISA-N DR2837 DRUINCHI 1S/C19H20N4O6/c1-23-11-7-10(9-5-3-2-4-6-9)8-20-16(11)21-19(23)22-17-14(26)12(24)13(25)15(29-17)18(27)28/h2-8,12-15,17,24-26H,1H3,(H,27,28)(H,20,21,22)/t12-,13-,14+,15-,17+/m0/s1 DR2837 CASMILES CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1NC4C(C(C(C(O4)C(=O)O)O)O)O DR2837 CAS__NUM CAS 133084-70-5 DR2846 DRUG__ID DR2846 DR2846 DRUGNAME Polyphenols DR2847 DRUG__ID DR2847 DR2847 DRUGNAME Kaltostat DR2850 DRUG__ID DR2850 DR2850 DRUGNAME Prochiral ketones DR2854 DRUG__ID DR2854 DR2854 DRUGNAME RPF acid DR2856 DRUG__ID DR2856 DR2856 DRUGNAME Spingomyelin DR2858 DRUG__ID DR2858 DR2858 DRUGNAME Sudan I DR2858 PUBCMCID 13297 DR2862 DRUG__ID DR2862 DR2862 DRUGNAME Sulfacetamide DR2862 PUBCMCID 5320 DR2862 DFORMULA C8H10N2O3S DR2862 INCHIKEY SKIVFJLNDNKQPD-UHFFFAOYSA-N DR2862 DRUINCHI 1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11) DR2862 CASMILES CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N DR2862 CAS__NUM CAS 144-80-9 DR2862 CHEBINUM 63845 DR2865 DRUG__ID DR2865 DR2865 DRUGNAME Porphyran DR2890 DRUG__ID DR2890 DR2890 DRUGNAME Ketoprofen glucuronide DR2890 PUBCMCID 131281 DR2890 DFORMULA C22H22O9 DR2890 INCHIKEY PBTXSZZKPHBHMA-LYFYOZKASA-N DR2890 DRUINCHI 1S/C22H22O9/c1-11(13-8-5-9-14(10-13)15(23)12-6-3-2-4-7-12)21(29)31-22-18(26)16(24)17(25)19(30-22)20(27)28/h2-11,16-19,22,24-26H,1H3,(H,27,28)/t11?,16-,17-,18+,19-,22-/m0/s1 DR2890 CASMILES CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)OC3C(C(C(C(O3)C(=O)O)O)O)O DR2890 CAS__NUM CAS 76690-94-3 >END