Product OPENEYE NAME: ethyl 1-(4-chlorophenyl)-4-hydrazino-2-methyl-5-oxo-pyrrole-2-carboxylate
CAS Name: 1-(4-chlorophenyl)-4-hydrazinyl-2-methyl-5-oxo-2-pyrrolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-(4-chlorophenyl)-4-hydrazinyl-2-methyl-5-oxopyrrole-2-carboxylate
SYSTEMATIC NAME: ethyl 1-(4-chlorophenyl)-4-diazanyl-2-methyl-5-oxidanylidene-pyrrole-2-carboxylate
MOLECULAR FORMULA: C14H16ClN3O3
MOLECULAR WEIGHT: 309.74814
SMILES: CCOC(=O)C1(C=C(C(=O)N1C2=CC=C(C=C2)Cl)NN)C
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Product OPENEYE NAME: 7-benzyl-1,5-dinitro-9-phenacyl-7-azoniabicyclo[3.3.1]non-2-en-4-one
CAS Name: 1,5-dinitro-9-phenacyl-7-(phenylmethyl)-7-azoniabicyclo[3.3.1]non-2-en-4-one
IUPAC NAME: 7-benzyl-1,5-dinitro-9-phenacyl-7-azoniabicyclo[3.3.1]non-2-en-4-one
SYSTEMATIC NAME: 1,5-dinitro-9-phenacyl-7-(phenylmethyl)-7-azoniabicyclo[3.3.1]non-2-en-4-one
MOLECULAR FORMULA: C23H22N3O6+
MOLECULAR WEIGHT: 436.43728
SMILES: C1C2(C=CC(=O)C(C2CC(=O)C3=CC=CC=C3)(C[NH+]1CC4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 7-butyl-1,5-dinitro-9-phenacyl-7-azoniabicyclo[3.3.1]non-2-en-4-one
CAS Name: 7-butyl-1,5-dinitro-9-phenacyl-7-azoniabicyclo[3.3.1]non-2-en-4-one
IUPAC NAME: 7-butyl-1,5-dinitro-9-phenacyl-7-azoniabicyclo[3.3.1]non-2-en-4-one
SYSTEMATIC NAME: 7-butyl-1,5-dinitro-9-phenacyl-7-azoniabicyclo[3.3.1]non-2-en-4-one
MOLECULAR FORMULA: C20H24N3O6+
MOLECULAR WEIGHT: 402.42106
SMILES: CCCC[NH+]1CC2(C=CC(=O)C(C1)(C2CC(=O)C3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 7-butyl-1,5-dinitro-9-phenacyl-7-azabicyclo[3.3.1]non-2-en-4-one
CAS Name: 7-butyl-1,5-dinitro-9-phenacyl-7-azabicyclo[3.3.1]non-2-en-4-one
IUPAC NAME: 7-butyl-1,5-dinitro-9-phenacyl-7-azabicyclo[3.3.1]non-2-en-4-one
SYSTEMATIC NAME: 7-butyl-1,5-dinitro-9-phenacyl-7-azabicyclo[3.3.1]non-2-en-4-one
MOLECULAR FORMULA: C20H23N3O6
MOLECULAR WEIGHT: 401.41312
SMILES: CCCCN1CC2(C=CC(=O)C(C1)(C2CC(=O)C3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: N-[1-[(4-hydroxyphenyl)methyl]cyclohexyl]-2-piperidin-1-ium-1-yl-acetamide
CAS Name: N-[1-[(4-hydroxyphenyl)methyl]cyclohexyl]-2-(1-piperidin-1-iumyl)acetamide
IUPAC NAME: N-[1-[(4-hydroxyphenyl)methyl]cyclohexyl]-2-piperidin-1-ium-1-ylacetamide
SYSTEMATIC NAME: N-[1-[(4-hydroxyphenyl)methyl]cyclohexyl]-2-piperidin-1-ium-1-yl-ethanamide
MOLECULAR FORMULA: C20H31N2O2+
MOLECULAR WEIGHT: 331.47234
SMILES: C1CCC(CC1)(CC2=CC=C(C=C2)O)NC(=O)C[NH+]3CCCCC3
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Product OPENEYE NAME: N-[1-[(4-hydroxyphenyl)methyl]cyclohexyl]-2-(1-piperidyl)acetamide
CAS Name: N-[1-[(4-hydroxyphenyl)methyl]cyclohexyl]-2-(1-piperidinyl)acetamide
IUPAC NAME: N-[1-[(4-hydroxyphenyl)methyl]cyclohexyl]-2-piperidin-1-ylacetamide
SYSTEMATIC NAME: N-[1-[(4-hydroxyphenyl)methyl]cyclohexyl]-2-piperidin-1-yl-ethanamide
MOLECULAR FORMULA: C20H30N2O2
MOLECULAR WEIGHT: 330.4644
SMILES: C1CCC(CC1)(CC2=CC=C(C=C2)O)NC(=O)CN3CCCCC3
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
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MOLECULAR FORMULA: C13H20N3O6+
MOLECULAR WEIGHT: 314.3144
SMILES: CC[NH+]1CC2(C3CC(OC2CC(=O)C3(C1)[N+](=O)[O-])C)[N+](=O)[O-]
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Product OPENEYE NAME: 2-(1,5-dinitro-4-oxo-9-phenacyl-7-azoniabicyclo[3.3.1]non-2-en-7-yl)acetate
CAS Name: 2-(1,5-dinitro-4-oxo-9-phenacyl-7-azoniabicyclo[3.3.1]non-2-en-7-yl)acetate
IUPAC NAME: 2-(1,5-dinitro-4-oxo-9-phenacyl-7-azoniabicyclo[3.3.1]non-2-en-7-yl)acetate
SYSTEMATIC NAME: 2-(1,5-dinitro-4-oxidanylidene-9-phenacyl-7-azoniabicyclo[3.3.1]non-2-en-7-yl)ethanoate
MOLECULAR FORMULA: C18H17N3O8
MOLECULAR WEIGHT: 403.34288
SMILES: C1C2(C=CC(=O)C(C2CC(=O)C3=CC=CC=C3)(C[NH+]1CC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 4-(6,6-dimethyl-2-phenyl-4-pyrrolidin-1-yl-3-thioxo-5,7-dihydro-1,2,3$l^{5}-benzodiazaphosphol-3-yl)morpholine
CAS Name: 4-[6,6-dimethyl-2-phenyl-4-(1-pyrrolidinyl)-3-sulfanylidene-5,7-dihydro-1,2,3$l^{5}-benzodiazaphosphol-3-yl]morpholine
IUPAC NAME: 4-(6,6-dimethyl-2-phenyl-4-pyrrolidin-1-yl-3-sulfanylidene-5,7-dihydro-1,2,3$l^{5}-benzodiazaphosphol-3-yl)morpholine
SYSTEMATIC NAME: 4-(6,6-dimethyl-2-phenyl-4-pyrrolidin-1-yl-3-sulfanylidene-5,7-dihydro-1,2,3$l^{5}-benzodiazaphosphol-3-yl)morpholine
MOLECULAR FORMULA: C22H31N4OPS
MOLECULAR WEIGHT: 430.546501
SMILES: CC1(CC(=C2C(=NN(P2(=S)N3CCOCC3)C4=CC=CC=C4)C1)N5CCCC5)C
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Product OPENEYE NAME: 3-(3-benzylidene-2-morpholino-cyclopenten-1-yl)-2-cyano-N-(2-fluorophenyl)prop-2-enamide
CAS Name: 2-cyano-N-(2-fluorophenyl)-3-[2-(4-morpholinyl)-3-(phenylmethylene)-1-cyclopentenyl]-2-propenamide
IUPAC NAME: 3-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-2-cyano-N-(2-fluorophenyl)prop-2-enamide
SYSTEMATIC NAME: 2-cyano-N-(2-fluorophenyl)-3-[2-morpholin-4-yl-3-(phenylmethylidene)cyclopenten-1-yl]prop-2-enamide
MOLECULAR FORMULA: C26H24FN3O2
MOLECULAR WEIGHT: 429.486063
SMILES: C1CC(=C(C1=CC2=CC=CC=C2)N3CCOCC3)C=C(C#N)C(=O)NC4=CC=CC=C4F
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Product OPENEYE NAME: 3-[(3-bromophenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
CAS Name: 3-[(3-bromophenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
IUPAC NAME: 3-[(3-bromophenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
SYSTEMATIC NAME: 3-[(3-bromophenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
MOLECULAR FORMULA: C25H21BrN2
MOLECULAR WEIGHT: 429.35164
SMILES: CC1=C(C2=CC=CC=C2N1)C(C3=CC(=CC=C3)Br)C4=C(NC5=CC=CC=C54)C
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Product OPENEYE NAME: 2-methyl-3-[(2-methyl-1H-indol-3-yl)-(4-methylsulfanylphenyl)methyl]-1H-indole
CAS Name: 2-methyl-3-[(2-methyl-1H-indol-3-yl)-[4-(methylthio)phenyl]methyl]-1H-indole
IUPAC NAME: 2-methyl-3-[(2-methyl-1H-indol-3-yl)-(4-methylsulfanylphenyl)methyl]-1H-indole
SYSTEMATIC NAME: 2-methyl-3-[(2-methyl-1H-indol-3-yl)-(4-methylsulfanylphenyl)methyl]-1H-indole
MOLECULAR FORMULA: C26H24N2S
MOLECULAR WEIGHT: 396.54716
SMILES: CC1=C(C2=CC=CC=C2N1)C(C3=CC=C(C=C3)SC)C4=C(NC5=CC=CC=C54)C
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Product OPENEYE NAME: 2-amino-4-[3-[(4-chlorophenoxy)methyl]-2,5-dimethyl-phenyl]-1-(3-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CAS Name: 2-amino-4-[3-[(4-chlorophenoxy)methyl]-2,5-dimethylphenyl]-1-(3-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
IUPAC NAME: 2-amino-4-[3-[(4-chlorophenoxy)methyl]-2,5-dimethylphenyl]-1-(3-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-[3-[(4-chloranylphenoxy)methyl]-2,5-dimethyl-phenyl]-1-(3-fluorophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile
MOLECULAR FORMULA: C31H27ClFN3O2
MOLECULAR WEIGHT: 528.016383
SMILES: CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC=C4)F)N)C#N)C)COC5=CC=C(C=C5)Cl
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Product OPENEYE NAME: 2-amino-4-[2,4-dimethyl-5-(o-tolylsulfanylmethyl)phenyl]-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CAS Name: 2-amino-4-[2,4-dimethyl-5-[[(2-methylphenyl)thio]methyl]phenyl]-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
IUPAC NAME: 2-amino-4-[2,4-dimethyl-5-[(2-methylphenyl)sulfanylmethyl]phenyl]-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-[2,4-dimethyl-5-[(2-methylphenyl)sulfanylmethyl]phenyl]-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile
MOLECULAR FORMULA: C35H37N3O2S
MOLECULAR WEIGHT: 563.75218
SMILES: CC1=CC=CC=C1SCC2=C(C=C(C(=C2)C3C(=C(N(C4=C3C(=O)CC(C4)(C)C)C5=CC=C(C=C5)OC)N)C#N)C)C
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Product OPENEYE NAME: 2-amino-1-(3-chlorophenyl)-4-[3-[(4-chlorophenyl)sulfanylmethyl]-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CAS Name: 2-amino-1-(3-chlorophenyl)-4-[3-[[(4-chlorophenyl)thio]methyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
IUPAC NAME: 2-amino-1-(3-chlorophenyl)-4-[3-[(4-chlorophenyl)sulfanylmethyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-1-(3-chlorophenyl)-4-[3-[(4-chlorophenyl)sulfanylmethyl]-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile
MOLECULAR FORMULA: C33H31Cl2N3OS
MOLECULAR WEIGHT: 588.58974
SMILES: CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=CC=C4)Cl)N)C#N)C)CSC5=CC=C(C=C5)Cl
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Product OPENEYE NAME: N'-(2,2-dimethyl-1-methylene-propyl)-2-pyrimidin-2-ylsulfanyl-propanehydrazide
CAS Name: N'-(3,3-dimethylbut-1-en-2-yl)-2-(2-pyrimidinylthio)propanehydrazide
IUPAC NAME: N'-(3,3-dimethylbut-1-en-2-yl)-2-pyrimidin-2-ylsulfanylpropanehydrazide
SYSTEMATIC NAME: N'-(3,3-dimethylbut-1-en-2-yl)-2-pyrimidin-2-ylsulfanyl-propanehydrazide
MOLECULAR FORMULA: C13H20N4OS
MOLECULAR WEIGHT: 280.3891
SMILES: CC(C(=O)NNC(=C)C(C)(C)C)SC1=NC=CC=N1
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Product OPENEYE NAME: 2-[[5-(1-oxo-3H-isobenzofuran-5-yl)-2-furyl]methylene]thiazolo[3,2-a]benzimidazol-1-one
CAS Name: 2-[[5-(1-oxo-3H-isobenzofuran-5-yl)-2-furanyl]methylidene]-1-thiazolo[3,2-a]benzimidazolone
IUPAC NAME: 2-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SYSTEMATIC NAME: 2-[[5-(1-oxidanylidene-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
MOLECULAR FORMULA: C22H12N2O4S
MOLECULAR WEIGHT: 400.40668
SMILES: C1C2=C(C=CC(=C2)C3=CC=C(O3)C=C4C(=O)N5C6=CC=CC=C6N=C5S4)C(=O)O1
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Product OPENEYE NAME: 8-[4-[(6,7-dimethyl-1-oxo-thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]-2-methoxy-phenoxy]-1,3,7-trimethyl-purine-2,6-dione
CAS Name: 8-[4-[(6,7-dimethyl-1-oxo-2-thiazolo[3,2-a]benzimidazolylidene)methyl]-2-methoxyphenoxy]-1,3,7-trimethylpurine-2,6-dione
IUPAC NAME: 8-[4-[(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]-2-methoxyphenoxy]-1,3,7-trimethylpurine-2,6-dione
SYSTEMATIC NAME: 8-[4-[(6,7-dimethyl-1-oxidanylidene-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]-2-methoxy-phenoxy]-1,3,7-trimethyl-purine-2,6-dione
MOLECULAR FORMULA: C27H24N6O5S
MOLECULAR WEIGHT: 544.58166
SMILES: CC1=CC2=C(C=C1C)N3C(=O)C(=CC4=CC(=C(C=C4)OC5=NC6=C(N5C)C(=O)N(C(=O)N6C)C)OC)SC3=N2
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Product OPENEYE NAME: 2-[4-oxo-2-[2-(1-pentylhex-1-enyl)hydrazino]thiazol-5-yl]acetate
CAS Name: 2-[4-oxo-2-(undec-5-en-6-ylhydrazo)-5-thiazolyl]acetate
IUPAC NAME: 2-[4-oxo-2-(2-undec-5-en-6-ylhydrazinyl)-1,3-thiazol-5-yl]acetate
SYSTEMATIC NAME: 2-[4-oxidanylidene-2-(2-undec-5-en-6-ylhydrazinyl)-1,3-thiazol-5-yl]ethanoate
MOLECULAR FORMULA: C16H26N3O3S-
MOLECULAR WEIGHT: 340.46094
SMILES: CCCCCC(=CCCCC)NNC1=NC(=O)C(S1)CC(=O)[O-]
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Product OPENEYE NAME: 2-[4-oxo-2-[2-(1-pentylhex-1-enyl)hydrazino]thiazol-5-yl]acetic acid
CAS Name: 2-[4-oxo-2-(undec-5-en-6-ylhydrazo)-5-thiazolyl]acetic acid
IUPAC NAME: 2-[4-oxo-2-(2-undec-5-en-6-ylhydrazinyl)-1,3-thiazol-5-yl]acetic acid
SYSTEMATIC NAME: 2-[4-oxidanylidene-2-(2-undec-5-en-6-ylhydrazinyl)-1,3-thiazol-5-yl]ethanoic acid
MOLECULAR FORMULA: C16H27N3O3S
MOLECULAR WEIGHT: 341.46888
SMILES: CCCCCC(=CCCCC)NNC1=NC(=O)C(S1)CC(=O)O
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Product OPENEYE NAME: 2-[2-[2-(1-butylpent-1-enyl)hydrazino]-4-oxo-thiazol-5-yl]acetate
CAS Name: 2-[2-(non-4-en-5-ylhydrazo)-4-oxo-5-thiazolyl]acetate
IUPAC NAME: 2-[2-(2-non-4-en-5-ylhydrazinyl)-4-oxo-1,3-thiazol-5-yl]acetate
SYSTEMATIC NAME: 2-[2-(2-non-4-en-5-ylhydrazinyl)-4-oxidanylidene-1,3-thiazol-5-yl]ethanoate
MOLECULAR FORMULA: C14H22N3O3S-
MOLECULAR WEIGHT: 312.40778
SMILES: CCCCC(=CCCC)NNC1=NC(=O)C(S1)CC(=O)[O-]
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Product OPENEYE NAME: 2-[2-[2-(1-butylpent-1-enyl)hydrazino]-4-oxo-thiazol-5-yl]acetic acid
CAS Name: 2-[2-(non-4-en-5-ylhydrazo)-4-oxo-5-thiazolyl]acetic acid
IUPAC NAME: 2-[2-(2-non-4-en-5-ylhydrazinyl)-4-oxo-1,3-thiazol-5-yl]acetic acid
SYSTEMATIC NAME: 2-[2-(2-non-4-en-5-ylhydrazinyl)-4-oxidanylidene-1,3-thiazol-5-yl]ethanoic acid
MOLECULAR FORMULA: C14H23N3O3S
MOLECULAR WEIGHT: 313.41572
SMILES: CCCCC(=CCCC)NNC1=NC(=O)C(S1)CC(=O)O
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Product OPENEYE NAME: 2-[butyl(p-tolylsulfonyl)amino]acetic acid
CAS Name: 2-[butyl-(4-methylphenyl)sulfonylamino]acetic acid
IUPAC NAME: 2-[butyl-(4-methylphenyl)sulfonylamino]acetic acid
SYSTEMATIC NAME: 2-[butyl-(4-methylphenyl)sulfonyl-amino]ethanoic acid
MOLECULAR FORMULA: C13H19NO4S
MOLECULAR WEIGHT: 285.35926
SMILES: CCCCN(CC(=O)O)S(=O)(=O)C1=CC=C(C=C1)C
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Product OPENEYE NAME: 4-nitro-N-[2-[(4-phenyl-1,2,5-oxadiazol-3-yl)oxy]propyl]aniline
CAS Name: 4-nitro-N-[2-[(4-phenyl-1,2,5-oxadiazol-3-yl)oxy]propyl]aniline
IUPAC NAME: 4-nitro-N-[2-[(4-phenyl-1,2,5-oxadiazol-3-yl)oxy]propyl]aniline
SYSTEMATIC NAME: 4-nitro-N-[2-[(4-phenyl-1,2,5-oxadiazol-3-yl)oxy]propyl]aniline
MOLECULAR FORMULA: C17H16N4O4
MOLECULAR WEIGHT: 340.33334
SMILES: CC(CNC1=CC=C(C=C1)[N+](=O)[O-])OC2=NON=C2C3=CC=CC=C3
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