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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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177002 76124080 1 S2N5O7H17C18 A2B5C7D17E18 -139.55 10.01 -9.12 -1.39 0
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177003 76124156 1 ClO4C10H11 AB4C10D11 -171.53 6.13 -10.65 -1.36 0
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177004 76124207 1 C10H10O11 A10B10C11 -430.91 8.24 -10.96 -1.74 0
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177005 76124315 1 SN3O5C9H15 AB3C5D9E15 -232.56 2.51 -9.35 -0.25 1
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177006 76124316 1 SN3O6C14H20 AB3C6D14E20 -222.38 5.28 0.0 0.0 0
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177007 76124317 6 OC3H4 AB3C4 -231.49 3.28 -9.81 -0.09 0
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177008 76124517 1 N4O12C45H68 A4B12C45D68 -575.22 8.13 -9.58 -0.34 0
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177009 76125490 1 S2N6O7C15H16 A2B6C7D15E16 -152.98 12.17 -9.66 -1.37 0
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177010 76125512 1 NPO8C41H78 ABC8D41E78 -535.97 2.9 -9.5 -0.6 0
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177011 76125552 2 NO4C13H17 AB4C13D17 -294.1 4.44 -9.01 -1.05 0
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177012 76125553 1 N4O4C25H32 A4B4C25D32 -95.53 5.44 -8.55 -0.38 0
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177013 76125563 2 OC11H17 AB11C17 -103.6 3.32 -8.89 -0.12 0
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177014 76125581 1 O2C45H74 A2B45C74 -189.54 2.74 -8.13 0.23 -2
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177015 76125617 1 S4N5O17H43C47 A4B5C17D43E47 -358.65 65.11 -8.56 -3.81 2
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177016 76125618 1 S4N5O17C47H47 A4B5C17D47E47 -464.09 13.71 -5.77 -2.77 0
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177017 76125619 1 O3C26H44 A3B26C44 -174.87 3.57 -9.4 0.62 0
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177018 76125620 1 O6C27H46 A6B27C46 -317.52 2.44 -9.68 0.95 0
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177019 76125621 1 NO2C20H33 AB2C20D33 -144.22 5.08 -9.29 0.67 0
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177020 76125622 1 N2O3C10H18 A2B3C10D18 -167.32 2.54 -10.02 0.14 0
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177021 76125623 2 O2N4C13H16 A2B4C13D16 -83.78 3.78 -9.46 -0.49 0
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177022 76125771 1 IN2O7C25H41 AB2C7D25E41 -349.46 6.23 -10.3 -1.88 0
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177023 76125772 1 N2O2F3C31H39 A2B2C3D31E39 -257.18 8.64 -9.15 -0.8 0
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177024 76126028 1 N7O10C39H63 A7B10C39D63 -515.59 2.39 -9.53 -0.46 0
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177025 76126076 1 IO3N4C10H11 AB3C4D10E11 -28.95 6.06 -10.06 -1.52 0
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177026 76126219 1 NO3C20H23 AB3C20D23 -83.71 3.65 -8.7 -0.62 0