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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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414041 135086994 1 NOSC12H15 ABCD12E15 -21.84 4.02 -8.06 -0.17 0
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414042 135086995 2 O3C29H50 A3B29C50 -382.73 3.62 -9.43 0.62 0
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414043 135086996 1 PO3H11C17 AB3C11D17 -77.58 4.79 -9.14 -1.26 0
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414044 135086997 1 NO2F3H12C13 AB2C3D12E13 -216.22 4.2 -9.13 -1.01 1
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414045 135086998 1 NPSO4C17H21 ABCD4E17F21 -139.37 5.51 0.0 0.0 0
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414046 135086999 1 PO3C20H27 AB3C20D27 -191.47 1.45 -8.98 0.42 0
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414047 135087000 4 OC4H5 AB4C5 -144.13 3.66 -9.24 -0.34 0
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414048 135087001 3 OC5H6 AB5C6 -121.63 3.65 -9.28 0.27 0
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414049 135087002 1 O3C17H22 A3B17C22 -132.77 3.22 -9.35 0.39 0
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414050 135087003 1 O4C17H22 A4B17C22 -168.18 2.74 -8.7 0.27 0
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414051 135087005 1 SF2O4H12C16 AB2C4D12E16 -198.69 6.37 -10.07 -1.43 0
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414052 135087006 1 NSO3C23H23 ABC3D23E23 -65.48 4.75 -9.24 -0.39 0
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414053 135087007 1 NSO3C20H25 ABC3D20E25 -110.24 4.96 -8.95 -0.53 0
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414054 135087008 1 NOC13H17 ABC13D17 -31.34 3.67 -8.37 0.42 0
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414055 135087009 1 NPO5C13H18 ABC5D13E18 -249.23 5.2 -9.34 0.09 0
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414056 135087010 1 ClO5C11H19 AB5C11D19 -246.13 4.04 -9.98 -0.03 0
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414057 135087011 1 NO2C13H21 AB2C13D21 -84.12 2.01 -10.71 -0.24 0
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414058 135087012 1 NO2C20H23 AB2C20D23 -51.4 3.25 -9.43 -0.22 0
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414059 135087013 1 SO3C16H16 AB3C16D16 -78.38 3.82 -9.36 -0.51 0
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414060 135087014 1 SO3C16H16 AB3C16D16 -76.13 8.53 -9.43 -0.62 0
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414061 135087015 1 SO3C17H18 AB3C17D18 -88.91 3.14 -9.27 -0.47 0
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414062 135087016 1 NO4C14H19 AB4C14D19 -107.62 3.08 -9.29 -0.27 0
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414063 135087017 1 NO4C20H23 AB4C20D23 -79.26 2.85 -9.52 -0.07 0
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414064 135087018 1 ClPO5C19H22 ABC5D19E22 -228.89 2.41 -9.42 -1.03 0
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414065 135087019 1 PO5C20H25 AB5C20D25 -228.39 5.12 -9.25 -0.46 0