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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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30023 838955 1 NOC16H21 ABC16D21 -37.16 4.04 -9.17 0.22 0
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30024 838959 1 NO2C19H21 AB2C19D21 -47.12 1.88 -8.26 0.1 0
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30025 838961 1 ClNOC19H20 ABCD19E20 -20.11 2.81 -9.45 -0.28 0
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30026 838963 1 O3H14C16 A3B14C16 -71.69 1.81 -9.47 -1.1 0
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30027 838971 1 ClN2C18H19 AB2C18D19 20.75 3.93 -8.65 -0.63 0
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30028 838973 1 ClN2C18H19 AB2C18D19 20.83 4.1 -8.65 -0.63 0
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30029 838984 1 O4C17H24 A4B17C24 -178.89 6.65 -9.17 -0.21 0
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30030 838988 1 O3C17H24 A3B17C24 -148.25 5.49 -9.57 -0.11 0
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30031 838997 1 O3N4C14H18 A3B4C14D18 -11.73 5.85 -9.32 -1.5 0
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30032 839010 1 S2N5C12H17 A2B5C12D17 60.3 0.27 -8.56 -0.9 0
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30033 839011 1 SN2O2C15H18 AB2C2D15E18 -77.81 5.19 -8.15 -0.92 0
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30034 839012 1 SN2O2C18H24 AB2C2D18E24 -90.4 5.31 -8.12 -0.88 0
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30035 839023 1 SN2O4H10C13 AB2C4D10E13 -90.72 6.42 -9.42 -2.27 0
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30036 839065 1 OSN3C19H19 ABC3D19E19 -1.97 4.92 -8.14 -0.99 0
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30037 839068 1 FN2O3C16H19 AB2C3D16E19 -129.95 5.43 -8.93 -1.02 0
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30038 839069 1 SO2N3H13C18 AB2C3D13E18 15.12 3.64 -8.84 -1.49 0
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30039 839076 1 OS2N4C12H14 AB2C4D12E14 20.71 5.28 -8.37 -1.23 0
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30040 839081 1 N3O5C16H19 A3B5C16D19 -84.08 5.85 -9.41 -1.4 0
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30041 839084 1 SO2N4C17H20 AB2C4D17E20 -25.32 6.16 -8.61 -1.14 0
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30042 839117 1 ClFNO3H15C16 ABCD3E15F16 -133.22 2.98 -8.47 -0.53 0
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30043 839118 1 ClFNO2H13C15 ABCD2E13F15 -97.26 4.98 -8.68 -0.68 0
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30044 839119 1 N3O3C18H25 A3B3C18D25 -84.18 7.71 -8.49 -0.81 0
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30045 839208 1 ClSN6C8H11 ABC6D8E11 95.39 2.35 -8.82 -0.88 0
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30046 839252 1 O2S2C11H14 A2B2C11D14 -58.3 3.9 -8.42 -0.09 0
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30047 839298 1 ON5H9C12 AB5C9D12 112.95 6.05 -9.71 -1.63 0
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30048 839331 2 NOH7C8 ABC7D8 9.37 3.84 -8.78 -0.18 0
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30049 839354 1 OSN2C12H12 ABC2D12E12 3.93 3.73 -8.09 -0.74 0
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30050 839360 1 ClNSO2C15H16 ABCD2E15F16 -63.64 4.94 -9.08 -0.84 0
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30051 839363 1 ClSN2O2H11C12 ABC2D2E11F12 -39.43 3.3 -9.19 -1.1 0
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30052 839364 1 NOH13C15 ABC13D15 21.42 1.62 -8.93 -0.77 0
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30053 839365 1 NOCl2H9C14 ABC2D9E14 15.77 3.5 -9.2 -1.33 0
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30054 839369 1 NSCl2O3C12H15 ABC2D3E12F15 -123.19 4.71 -9.78 -1.07 0
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30055 839373 1 NO5H15C17 AB5C15D17 -118.29 6.6 -8.9 -1.09 0
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30056 839375 1 ClN2O2H17C18 AB2C2D17E18 -35.51 1.92 -9.09 -1.2 0
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30057 839379 1 NSCl2O3C12H15 ABC2D3E12F15 -122.74 7.37 -9.78 -1.11 0
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30058 839382 1 NSO3C17H17 ABC3D17E17 -84.42 6.91 -9.23 -0.72 0
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30059 839383 1 NO4C20H23 AB4C20D23 -145.13 2.9 -8.93 -0.92 0
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30060 839384 1 NO4C20H23 AB4C20D23 -153.69 1.32 -9.0 -0.8 0
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30061 839395 1 NO6H15C17 AB6C15D17 -205.54 2.09 -9.04 -1.04 0
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30062 839397 1 N2O3H20C21 A2B3C20D21 -77.73 3.54 -8.96 -1.14 0
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30063 839398 1 ClSN2O2H11C12 ABC2D2E11F12 -36.04 3.57 -9.14 -1.14 0
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30064 839399 1 N3O4H7C13 A3B4C7D13 -1.06 6.93 -9.99 -1.79 0
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30065 839400 1 N2O3H20C21 A2B3C20D21 -75.85 1.38 -9.03 -1.3 0
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30066 839403 1 NF3O3H12C16 AB3C3D12E16 -240.01 3.3 -9.31 -0.84 0
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30067 839414 1 ClNO5H14C16 ABC5D14E16 -166.32 4.69 -8.79 -0.72 0
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30068 839433 1 N2O4H18C19 A2B4C18D19 -120.97 8.86 -9.29 -1.44 0
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30069 839441 1 SN2O2H12C17 AB2C2D12E17 -1.53 3.15 -9.37 -1.81 0
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30070 839443 1 ClN2O3H11C17 AB2C3D11E17 -43.08 0.91 -9.64 -1.98 0
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30071 839453 1 NO2C16H17 AB2C16D17 -53.1 3.68 -8.65 -0.04 0
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30072 839460 1 N2O4H16C19 A2B4C16D19 -107.8 7.63 -8.92 -1.45 0
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30073 839462 1 SCl2N2O2H8C11 AB2C2D2E8F11 -27.35 2.02 -9.61 -1.39 0
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30074 839465 1 NO4H17C18 AB4C17D18 -118.57 2.98 -9.03 -0.1 0
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30075 839467 1 NCl2O3H11C16 AB2C3D11E16 -74.18 6.24 -9.11 -1.46 0
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30076 839469 1 NCl2O3H11C16 AB2C3D11E16 -70.62 3.23 -9.51 -1.57 0
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30077 839482 1 ClSN3O4C12H12 ABC3D4E12F12 -42.98 4.57 -9.37 -2.16 0
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30078 839483 1 SN2O2C16H18 AB2C2D16E18 -50.14 6.16 -8.3 -0.94 0
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30079 839484 1 N2O4C19H20 A2B4C19D20 -116.05 3.31 -9.68 -1.69 0
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30080 839496 1 BrNSO2C13H18 ABCD2E13F18 -79.24 4.12 -9.55 -0.82 0
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30081 839508 1 NO3C17H17 AB3C17D17 -105.56 0.97 -9.01 -0.9 0
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30082 839510 1 SN3O4C15H17 AB3C4D15E17 -132.58 2.72 -8.93 -0.87 0
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30083 839520 1 SO3N4C15H18 AB3C4D15E18 -92.5 6.77 -8.88 -0.7 0
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30084 839561 1 NO6H15C18 AB6C15D18 -180.15 10.29 -9.22 -1.24 0
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30085 839680 1 OCl2N2H14C15 AB2C2D14E15 -8.78 3.47 -9.12 -0.48 0
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30086 839681 2 NOH10C11 ABC10D11 -27.77 1.98 -8.8 -0.65 0
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30087 839688 1 OSN3H15C20 ABC3D15E20 74.02 6.83 -8.47 -0.97 0
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30088 839690 1 SO2N3H11C17 AB2C3D11E17 43.0 4.42 -9.21 -1.51 0
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30089 839691 1 OSN3H15C20 ABC3D15E20 70.85 7.44 -8.47 -1.02 0
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30090 839692 1 SN4C10H12 AB4C10D12 71.15 4.96 -8.42 -0.18 0
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30091 839738 1 ClN2O2H17C19 AB2C2D17E19 3.87 5.05 -8.79 -1.18 0
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30092 839838 1 SN2O2H16C17 AB2C2D16E17 -9.26 5.02 -8.68 -1.11 1
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30093 839846 1 N2C10H13 A2B10C13 57.56 1.54 0.0 0.0 0
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30094 839878 1 N6C9H10 A6B9C10 134.34 7.98 -9.34 -1.22 0
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30095 839885 1 OSN3C18H21 ABC3D18E21 11.04 5.19 -8.34 -0.57 0
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30096 839908 1 BrSN2O2H9C11 ABC2D2E9F11 20.52 3.62 -8.88 -1.07 0
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30097 839918 1 ON3C11H13 AB3C11D13 30.23 2.1 -9.29 -0.66 0
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30098 839925 1 ClSN3O3H8C12 ABC3D3E8F12 43.56 4.91 -9.39 -1.81 0
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30099 839927 1 O2N3C16H17 A2B3C16D17 -4.07 4.06 -8.7 -0.63 0
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30100 839929 1 N2O3C15H16 A2B3C15D16 -47.11 1.87 -8.74 -0.51 0
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30101 839935 1 OSCl3N3C11H14 ABC3D3E11F14 -38.9 2.66 -9.66 -1.31 0
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30102 839973 1 SO2N4H10C11 AB2C4D10E11 6.96 8.32 -8.7 -1.6 0
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30103 839974 1 N2O4C19H24 A2B4C19D24 -104.97 1.49 -8.3 -0.78 0
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30104 839975 1 N2O4C19H24 A2B4C19D24 -109.01 6.39 -9.02 -0.98 0
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30105 839980 2 NOH5C6 ABC5D6 -29.64 5.48 -9.11 -1.1 0
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30106 839982 1 ON2C19H24 AB2C19D24 -13.82 7.73 -9.59 -0.93 0
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30107 839983 1 O3N4H10C11 A3B4C10D11 21.46 3.73 -9.22 -1.68 0
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30108 839985 1 NO2H17C18 AB2C17D18 -52.62 3.67 -8.86 -1.24 0
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30109 839988 2 ON2H8C9 AB2C8D9 -10.54 8.56 -8.59 -1.35 0
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30110 839991 1 SO4H14C17 AB4C14D17 -84.76 3.84 -8.62 -1.09 0
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30111 839992 1 ON2Cl3H9C15 AB2C3D9E15 17.71 0.67 -9.52 -1.37 0
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30112 839996 1 ClN2O4H9C15 AB2C4D9E15 -32.05 2.03 -9.68 -2.5 0
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30113 839997 1 NCl2O2H9C11 AB2C2D9E11 -79.42 4.4 -9.74 -0.88 0
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30114 840003 1 N2O3H16C17 A2B3C16D17 -86.11 9.33 -9.41 -0.96 0
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30115 840004 1 N2O3C12H14 A2B3C12D14 -37.96 7.27 -10.16 -1.57 0
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30116 840005 1 ClNO3H14C15 ABC3D14E15 -87.94 7.84 -8.79 -0.51 0
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30117 840025 1 SN2O4C10H14 AB2C4D10E14 -161.96 3.84 -8.44 -0.88 0
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30118 840026 2 ON2C9H10 AB2C9D10 23.2 4.3 -8.71 -0.19 0
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30119 840074 1 SN2O2C12H12 AB2C2D12E12 -28.4 4.81 -8.88 -1.38 0
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30120 840108 1 ClN3O4H8C11 AB3C4D8E11 -16.83 5.47 -10.16 -1.35 1
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30121 840144 1 N3O4C10H14 A3B4C10D14 -78.33 3.59 0.0 0.0 0
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30122 840147 2 O2N3H4C5 A2B3C4D5 75.62 4.96 -9.93 -1.86 0