Product OPENEYE NAME: 3-isopropyl-1-methyl-pyrazole-4-carboxylate
CAS Name: 1-methyl-3-propan-2-yl-4-pyrazolecarboxylate
IUPAC NAME: 1-methyl-3-propan-2-ylpyrazole-4-carboxylate
SYSTEMATIC NAME: 1-methyl-3-propan-2-yl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C8H11N2O2-
MOLECULAR WEIGHT: 167.18514
SMILES: CC(C)C1=NN(C=C1C(=O)[O-])C
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Product OPENEYE NAME: 3-[(4-bromo-2-fluoro-benzoyl)amino]propyl 4-bromo-2-fluoro-benzoate
CAS Name: 4-bromo-2-fluorobenzoic acid 3-[[(4-bromo-2-fluorophenyl)-oxomethyl]amino]propyl ester
IUPAC NAME: 3-[(4-bromo-2-fluorobenzoyl)amino]propyl 4-bromo-2-fluorobenzoate
SYSTEMATIC NAME: 3-[(4-bromanyl-2-fluoranyl-phenyl)carbonylamino]propyl 4-bromanyl-2-fluoranyl-benzoate
MOLECULAR FORMULA: C17H13Br2F2NO3
MOLECULAR WEIGHT: 477.094826
SMILES: C1=CC(=C(C=C1Br)F)C(=O)NCCCOC(=O)C2=C(C=C(C=C2)Br)F
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Product OPENEYE NAME: [(2S)-2-[(2-phenyltriazole-4-carbonyl)amino]propyl] 2-phenyltriazole-4-carboxylate
CAS Name: 2-phenyl-4-triazolecarboxylic acid [(2S)-2-[[oxo-(2-phenyl-4-triazolyl)methyl]amino]propyl] ester
IUPAC NAME: [(2S)-2-[(2-phenyltriazole-4-carbonyl)amino]propyl] 2-phenyltriazole-4-carboxylate
SYSTEMATIC NAME: [(2S)-2-[(2-phenyl-1,2,3-triazol-4-yl)carbonylamino]propyl] 2-phenyl-1,2,3-triazole-4-carboxylate
MOLECULAR FORMULA: C21H19N7O3
MOLECULAR WEIGHT: 417.42066
SMILES: C[C@@H](COC(=O)C1=NN(N=C1)C2=CC=CC=C2)NC(=O)C3=NN(N=C3)C4=CC=CC=C4
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Product OPENEYE NAME: [(2R)-2-[(2-phenyltriazole-4-carbonyl)amino]propyl] 2-phenyltriazole-4-carboxylate
CAS Name: 2-phenyl-4-triazolecarboxylic acid [(2R)-2-[[oxo-(2-phenyl-4-triazolyl)methyl]amino]propyl] ester
IUPAC NAME: [(2R)-2-[(2-phenyltriazole-4-carbonyl)amino]propyl] 2-phenyltriazole-4-carboxylate
SYSTEMATIC NAME: [(2R)-2-[(2-phenyl-1,2,3-triazol-4-yl)carbonylamino]propyl] 2-phenyl-1,2,3-triazole-4-carboxylate
MOLECULAR FORMULA: C21H19N7O3
MOLECULAR WEIGHT: 417.42066
SMILES: C[C@H](COC(=O)C1=NN(N=C1)C2=CC=CC=C2)NC(=O)C3=NN(N=C3)C4=CC=CC=C4
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Product OPENEYE NAME: [1-(2-fluorophenyl)pyrazol-3-yl]methylammonium
CAS Name: [1-(2-fluorophenyl)-3-pyrazolyl]methylammonium
IUPAC NAME: [1-(2-fluorophenyl)pyrazol-3-yl]methylazanium
SYSTEMATIC NAME: [1-(2-fluorophenyl)pyrazol-3-yl]methylazanium
MOLECULAR FORMULA: C10H11FN3+
MOLECULAR WEIGHT: 192.212843
SMILES: C1=CC=C(C(=C1)N2C=CC(=N2)C[NH3+])F
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Product OPENEYE NAME: [1-(2-fluorophenyl)pyrazol-3-yl]methanamine
CAS Name: [1-(2-fluorophenyl)-3-pyrazolyl]methanamine
IUPAC NAME: [1-(2-fluorophenyl)pyrazol-3-yl]methanamine
SYSTEMATIC NAME: [1-(2-fluorophenyl)pyrazol-3-yl]methanamine
MOLECULAR FORMULA: C10H10FN3
MOLECULAR WEIGHT: 191.204903
SMILES: C1=CC=C(C(=C1)N2C=CC(=N2)CN)F
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Product OPENEYE NAME: (3aR,6aS)-1-(5-fluoro-2-methyl-phenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aR,6aS)-1-(5-fluoro-2-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aR,6aS)-1-(5-fluoro-2-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aR,6aS)-1-(5-fluoranyl-2-methyl-phenyl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C13H14FNO3S
MOLECULAR WEIGHT: 283.318563
SMILES: CC1=C(C=C(C=C1)F)N2[C@@H]3CS(=O)(=O)C[C@@H]3CC2=O
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Product OPENEYE NAME: (3aR,6aR)-1-(5-fluoro-2-methyl-phenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aR,6aR)-1-(5-fluoro-2-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aR,6aR)-1-(5-fluoro-2-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aR,6aR)-1-(5-fluoranyl-2-methyl-phenyl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C13H14FNO3S
MOLECULAR WEIGHT: 283.318563
SMILES: CC1=C(C=C(C=C1)F)N2[C@H]3CS(=O)(=O)C[C@@H]3CC2=O
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Product OPENEYE NAME: (3aS,6aS)-1-(5-fluoro-2-methyl-phenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aS,6aS)-1-(5-fluoro-2-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aS,6aS)-1-(5-fluoro-2-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aS,6aS)-1-(5-fluoranyl-2-methyl-phenyl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C13H14FNO3S
MOLECULAR WEIGHT: 283.318563
SMILES: CC1=C(C=C(C=C1)F)N2[C@@H]3CS(=O)(=O)C[C@H]3CC2=O
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Product OPENEYE NAME: (3aS,6aR)-1-(5-fluoro-2-methyl-phenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aS,6aR)-1-(5-fluoro-2-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aS,6aR)-1-(5-fluoro-2-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aS,6aR)-1-(5-fluoranyl-2-methyl-phenyl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C13H14FNO3S
MOLECULAR WEIGHT: 283.318563
SMILES: CC1=C(C=C(C=C1)F)N2[C@H]3CS(=O)(=O)C[C@H]3CC2=O
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Product OPENEYE NAME: (3aR,6aS)-1-(2-ethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aR,6aS)-1-(2-ethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aR,6aS)-1-(2-ethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aR,6aS)-1-(2-ethylphenyl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C14H17NO3S
MOLECULAR WEIGHT: 279.35468
SMILES: CCC1=CC=CC=C1N2[C@@H]3CS(=O)(=O)C[C@@H]3CC2=O
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Product OPENEYE NAME: (3aR,6aR)-1-(2-ethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aR,6aR)-1-(2-ethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aR,6aR)-1-(2-ethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aR,6aR)-1-(2-ethylphenyl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C14H17NO3S
MOLECULAR WEIGHT: 279.35468
SMILES: CCC1=CC=CC=C1N2[C@H]3CS(=O)(=O)C[C@@H]3CC2=O
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Product OPENEYE NAME: (3aS,6aS)-1-(2-ethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aS,6aS)-1-(2-ethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aS,6aS)-1-(2-ethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aS,6aS)-1-(2-ethylphenyl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C14H17NO3S
MOLECULAR WEIGHT: 279.35468
SMILES: CCC1=CC=CC=C1N2[C@@H]3CS(=O)(=O)C[C@H]3CC2=O
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Product OPENEYE NAME: (3aS,6aR)-1-(2-ethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aS,6aR)-1-(2-ethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aS,6aR)-1-(2-ethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aS,6aR)-1-(2-ethylphenyl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C14H17NO3S
MOLECULAR WEIGHT: 279.35468
SMILES: CCC1=CC=CC=C1N2[C@H]3CS(=O)(=O)C[C@H]3CC2=O
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Product OPENEYE NAME: (3aR,6aS)-1-(4,5-dimethoxy-2-methyl-phenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aR,6aS)-1-(4,5-dimethoxy-2-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aR,6aS)-1-(4,5-dimethoxy-2-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aR,6aS)-1-(4,5-dimethoxy-2-methyl-phenyl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C15H19NO5S
MOLECULAR WEIGHT: 325.38006
SMILES: CC1=CC(=C(C=C1N2[C@@H]3CS(=O)(=O)C[C@@H]3CC2=O)OC)OC
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Product OPENEYE NAME: (3aR,6aR)-1-(4,5-dimethoxy-2-methyl-phenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aR,6aR)-1-(4,5-dimethoxy-2-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aR,6aR)-1-(4,5-dimethoxy-2-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aR,6aR)-1-(4,5-dimethoxy-2-methyl-phenyl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C15H19NO5S
MOLECULAR WEIGHT: 325.38006
SMILES: CC1=CC(=C(C=C1N2[C@H]3CS(=O)(=O)C[C@@H]3CC2=O)OC)OC
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Product OPENEYE NAME: (3aS,6aS)-1-(4,5-dimethoxy-2-methyl-phenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aS,6aS)-1-(4,5-dimethoxy-2-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aS,6aS)-1-(4,5-dimethoxy-2-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aS,6aS)-1-(4,5-dimethoxy-2-methyl-phenyl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C15H19NO5S
MOLECULAR WEIGHT: 325.38006
SMILES: CC1=CC(=C(C=C1N2[C@@H]3CS(=O)(=O)C[C@H]3CC2=O)OC)OC
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Product OPENEYE NAME: (3aS,6aR)-1-(4,5-dimethoxy-2-methyl-phenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aS,6aR)-1-(4,5-dimethoxy-2-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aS,6aR)-1-(4,5-dimethoxy-2-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aS,6aR)-1-(4,5-dimethoxy-2-methyl-phenyl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C15H19NO5S
MOLECULAR WEIGHT: 325.38006
SMILES: CC1=CC(=C(C=C1N2[C@H]3CS(=O)(=O)C[C@H]3CC2=O)OC)OC
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Product OPENEYE NAME: (3aR,6aS)-1-[3-chloro-4-(difluoromethoxy)phenyl]-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aR,6aS)-1-[3-chloro-4-(difluoromethoxy)phenyl]-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aR,6aS)-1-[3-chloro-4-(difluoromethoxy)phenyl]-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aR,6aS)-1-[4-[bis(fluoranyl)methoxy]-3-chloranyl-phenyl]-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C13H12ClF2NO4S
MOLECULAR WEIGHT: 351.753486
SMILES: C1[C@H]2CS(=O)(=O)C[C@H]2N(C1=O)C3=CC(=C(C=C3)OC(F)F)Cl
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Product OPENEYE NAME: (3aR,6aR)-1-[3-chloro-4-(difluoromethoxy)phenyl]-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aR,6aR)-1-[3-chloro-4-(difluoromethoxy)phenyl]-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aR,6aR)-1-[3-chloro-4-(difluoromethoxy)phenyl]-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aR,6aR)-1-[4-[bis(fluoranyl)methoxy]-3-chloranyl-phenyl]-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C13H12ClF2NO4S
MOLECULAR WEIGHT: 351.753486
SMILES: C1[C@H]2CS(=O)(=O)C[C@@H]2N(C1=O)C3=CC(=C(C=C3)OC(F)F)Cl
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Product OPENEYE NAME: (3aS,6aS)-1-[3-chloro-4-(difluoromethoxy)phenyl]-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aS,6aS)-1-[3-chloro-4-(difluoromethoxy)phenyl]-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aS,6aS)-1-[3-chloro-4-(difluoromethoxy)phenyl]-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aS,6aS)-1-[4-[bis(fluoranyl)methoxy]-3-chloranyl-phenyl]-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C13H12ClF2NO4S
MOLECULAR WEIGHT: 351.753486
SMILES: C1[C@@H]2CS(=O)(=O)C[C@H]2N(C1=O)C3=CC(=C(C=C3)OC(F)F)Cl
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Product OPENEYE NAME: (3aS,6aR)-1-[3-chloro-4-(difluoromethoxy)phenyl]-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aS,6aR)-1-[3-chloro-4-(difluoromethoxy)phenyl]-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aS,6aR)-1-[3-chloro-4-(difluoromethoxy)phenyl]-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aS,6aR)-1-[4-[bis(fluoranyl)methoxy]-3-chloranyl-phenyl]-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C13H12ClF2NO4S
MOLECULAR WEIGHT: 351.753486
SMILES: C1[C@@H]2CS(=O)(=O)C[C@@H]2N(C1=O)C3=CC(=C(C=C3)OC(F)F)Cl
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