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  1. 2-Octyl-4-isothiazolin-3-one
    Cas#: 26530-20-1        Compound CID:  33528
    Formula:  C11H19NOS        Molecular Weight: 213.34
    IUPAC Name: 2-octyl-1,2-thiazol-3-one
    SMILES: CCCCCCCCN1C(=O)C=CS1
    InChIKey: JPMIIZHYYWMHDT-UHFFFAOYSA-N
    InChI: InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3
    Synonyms: 2-n-Octyl-3-isothiazolone | 2-Octyl-3-isothiazolone | Kathon 893 | AS-11894 | Tox21_201459 | 2-Octyl-3-isothioazolone...
  2. Bergenin
    Cas#: 477-90-7        Compound CID:  66065
    Formula:  C14H16O9        Molecular Weight: 328.28
    IUPAC Name: (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
    SMILES: COC1=C(C=C2C(=C1O)C3C(C(C(C(O3)CO)O)O)OC2=O)O
    InChIKey: YWJXCIXBAKGUKZ-HJJNZUOJSA-N
    InChI: InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1
    Synonyms: B4349 | EN300-19651064 | YWJXCIXBAKGUKZ-HJJNZUOJSA-N | A827340 | (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxy...
  3. Triadimenol
    Cas#: 55219-65-3        Compound CID:  41368
    Formula:  C14H18ClN3O2        Molecular Weight: 295.76
    IUPAC Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
    SMILES: CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O
    InChIKey: BAZVSMNPJJMILC-UHFFFAOYSA-N
    InChI: InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3
    Synonyms: NCGC00088160-03 | a-(4-chlorophenoxy)-b-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol | Baytan | DTXSID0032493 | NC...
  4. Hexachlorophene, Bacterial enoyl-[acyl-carrier-protein] reductase inhibitor
    Cas#: 70-30-4        Compound CID:  3598
    Formula:  CH2[C6H(Cl)3OH]2        Molecular Weight: 406.9
    IUPAC Name: 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol
    SMILES: C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl
    InChIKey: ACGUYXCXAPNIKK-UHFFFAOYSA-N
    InChI: InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2
    Synonyms: 2,2'-methanediylbis(3,4,6-trichlorophenol) | hexachlorophene | IWW5FV6NK2 | 2,5,6-trichlorophenol) | 6,6'-Methylenebi...
  5. Tacrolimus(anhydrous)(FK506), Inhibitor of FKBP prolyl isomerase 1A;Activator of TRPM8
    Cas#: 104987-11-3        Compound CID:  445643
    Formula:  C44H69NO12        Molecular Weight: 804.02
    IUPAC Name: (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
    SMILES: 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
    InChIKey: QJJXYPPXXYFBGM-LFZNUXCKSA-N
    InChI: InChI=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
    Synonyms: (7aR)-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one;Dihydroactinidiolide | CHEBI:93221 | DB00864 | HMS1792O21 | UN...
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