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  1. 丙酸氟替卡松
    CAS号 : 80474-14-2        Compound CID : 444036
    分子式: C25H31F3O5S        分子量: 500.57
    IUPAC Name: [(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
    SMILES: CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)SCF
    InChIKey: WMWTYOKRWGGJOA-CENSZEJFSA-N
    InChI: InChI=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
  2. 甲磺酸吡咯啉
    CAS号 : 207572-66-5        Compound CID : 2829432
    分子式: C15H18N2.CH3SO3H        分子量: 322.42
    IUPAC Name: methanesulfonic acid;12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
    SMILES: CC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4.CS(=O)(=O)O
    InChIKey: PVUYTBQAVAYLDE-UHFFFAOYSA-N
    InChI: InChI=1S/C15H18N2.CH4O3S/c1-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17(14)8-7-16-13;1-5(2,3)4/h5-6,9,13,16H,2-4,7-8H2,1H3;1H3,(H,2,3,4)
  3. N4-羟基胞苷
    CAS号 : 3258-02-4        Compound CID : 197020
    分子式: C9H13N3O6        分子量: 259.22
    IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one
    SMILES: C1=CN(C(=O)N=C1NO)C2C(C(C(O2)CO)O)O
    InChIKey: XCUAIINAJCDIPM-XVFCMESISA-N
    InChI: InChI=1S/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6-,7-,8-/m1/s1
  4. PD-169316
    CAS号 : 152121-53-4        Compound CID : 4712
    分子式: C20H13FN4O2        分子量: 360.34
    IUPAC Name: 4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine
    SMILES: C1=CC(=CC=C1C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)[N+](=O)[O-]
    InChIKey: BGIYKDUASORTBB-UHFFFAOYSA-N
    InChI: InChI=1S/C20H13FN4O2/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(8-4-15)25(26)27/h1-12H,(H,23,24)
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