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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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329032 126730657 4 NH11C14 AB11C14 220.38 1.9 -7.75 -0.68 0
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329033 126730692 2 N2H20C25 A2B20C25 197.09 0.95 -7.68 -0.77 0
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329034 126730712 2 N3H19C30 A3B19C30 347.09 3.29 -7.86 -1.48 0
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329035 126730717 1 N7H37C61 A7B37C61 376.23 8.19 -7.94 -1.57 0
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329036 126730728 1 N7H33C55 A7B33C55 354.33 7.74 -8.0 -1.62 0
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329037 126730735 1 N5H31C47 A5B31C47 266.2 2.99 -7.92 -1.29 0
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329038 126730749 1 NO2C17H25 AB2C17D25 -33.04 3.56 -9.28 0.6 0
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329039 126730750 1 N4O6C19H32 A4B6C19D32 -257.2 6.28 -9.27 0.46 0
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329040 126730751 1 O4F22H22C53 A4B22C22D53 -954.04 5.37 -9.4 -1.57 0
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329041 126730754 2 O2F11H14C30 A2B11C14D30 -942.02 4.9 -9.26 -1.59 0
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329042 126730756 1 Cl2O4H16F22C51 A2B4C16D22E51 -952.26 2.36 -9.49 -1.64 0
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329043 126730757 2 O2F11H21C38 A2B11C21D38 -857.07 2.68 -8.91 -1.67 0
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329044 126730760 1 O4F22H26C59 A4B22C26D59 -928.8 3.37 -9.02 -1.64 1
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329045 126730761 1 NOC18H24 ABC18D24 14.84 4.64 0.0 0.0 0
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329046 126730762 1 O4N12C17H28 A4B12C17D28 -97.27 2.93 -9.59 -0.25 0
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329047 126730768 1 S3O6N15C25H37 A3B6C15D25E37 -136.76 4.73 -9.25 -0.71 0
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329048 126730770 1 SN2O4C42H58 AB2C4D42E58 -93.96 3.85 -8.65 -0.12 0
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329049 126730773 2 O3C4H7 A3B4C7 -264.1 1.42 -10.29 0.12 1
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329050 126730776 1 PO7C32H38 AB7C32D38 -241.68 6.32 0.0 0.0 0
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329051 126730777 1 O4C13H26 A4B13C26 -230.18 3.77 -10.43 0.3 0
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329052 126730782 2 O2C8H15 A2B8C15 -234.85 3.35 -10.12 0.86 0
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329054 126730787 1 S2N3O3C19H23 A2B3C3D19E23 -76.12 3.33 -8.81 -1.0 0
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329056 126730807 1 BrNSO2C11H14 ABCD2E11F14 -64.76 3.83 -9.07 -0.41 0
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329057 126730839 1 N6O7C37H46 A6B7C37D46 -185.57 6.39 -8.91 -1.55 0
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329058 126730850 1 FN2P2C10O12H15 AB2C2D10E12F15 -702.21 9.17 -10.3 -0.87 0
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329059 126730880 1 N5H31C47 A5B31C47 259.92 1.74 -8.78 -0.88 0
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329060 126730902 2 N3H16C24 A3B16C24 278.12 1.61 -9.23 -1.11 0
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329061 126730925 1 SO2N5C19H27 AB2C5D19E27 -45.47 3.91 -8.28 -0.34 0
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329062 126730927 1 O4C25H36 A4B25C36 -173.64 3.52 -8.52 0.3 0
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329063 126730928 1 N2O14C59H80 A2B14C59D80 -606.93 2.6 -9.11 -0.47 0
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329064 126730929 2 N3O11C32H42 A3B11C32D42 -714.23 19.15 -8.54 -1.4 0
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329065 126730931 1 NO15C59H75 AB15C59D75 -631.12 4.5 -9.09 -1.43 0
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329066 126730940 1 NO13C57H73 AB13C57D73 -530.52 6.8 -9.07 -0.63 0
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329067 126730975 1 PN2O7C21H35 AB2C7D21E35 -402.26 3.95 -8.83 -0.32 0
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329068 126731031 2 O11C24H45 A11B24C45 -1107.54 7.57 -10.18 0.58 0
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329069 126731042 1 O11F13C20H25 A11B13C20D25 -1149.09 4.61 -10.41 -0.44 0
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329070 126731060 1 SN2H54C81 AB2C54D81 349.3 2.02 -7.87 -0.92 0
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329071 126731065 1 NO2C13H27 AB2C13D27 -162.35 1.93 -9.74 1.04 0
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329072 126731077 1 NO3C9H17 AB3C9D17 -139.5 5.66 -9.28 0.52 0
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329073 126731078 1 N2O2C9H18 A2B2C9D18 -99.32 4.86 -9.01 1.02 0
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329074 126731080 1 ON5C17H17 AB5C17D17 52.74 7.12 -8.98 -0.71 0
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329075 126731089 1 OSC13H24 ABC13D24 -87.99 2.66 -8.46 0.55 0
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329076 126731090 1 OF3N6C18H23 AB3C6D18E23 -101.33 2.97 -8.74 -0.66 0
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329077 126731093 1 NCl2O2H13C15 AB2C2D13E15 -68.45 6.82 -9.71 -0.99 0
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329078 126731098 1 NH25C29 AB25C29 119.45 1.38 -7.83 -0.52 0
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329079 126731159 1 PF2N4O11C30H35 AB2C4D11E30F35 -552.35 6.52 -8.98 -0.95 0
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329080 126731180 1 PSF2N5O9C31H36 ABC2D5E9F31G36 -490.6 7.45 -8.62 -1.01 0
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329081 126731182 1 PSF2N5O9C30H34 ABC2D5E9F30G34 -477.09 7.23 -8.56 -1.09 0
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329082 126731191 1 ClPF2N3O7C19H19 ABC2D3E7F19G19 -410.81 3.51 -10.05 -1.36 0
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329083 126731192 1 ClPF2N3O9C20H21 ABC2D3E9F20G21 -479.07 8.7 -9.53 -1.3 0
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329084 126731193 1 PCl2F2N3O7H18C19 AB2C2D3E7F18G19 -412.96 4.32 -10.04 -1.49 0
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329085 126731194 1 PF2N5O9C31H36 AB2C5D9E31F36 -494.61 7.39 -8.89 -1.1 0
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329086 126731205 1 PSF2N5O9C32H38 ABC2D5E9F32G38 -497.16 2.35 -8.39 -0.78 0
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329087 126731209 1 PF2N3O9C23H26 AB2C3D9E23F26 -490.22 4.29 -9.2 -1.06 0
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329088 126731215 1 PF2N3O11H20C21 AB2C3D11E20F21 -539.47 10.12 -10.12 -1.76 0
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329089 126731220 1 PF2N3O9C22H22 AB2C3D9E22F22 -438.43 3.59 -9.44 -1.27 0
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329090 126731224 1 PF2N4O7C23H27 AB2C4D7E23F27 -420.04 8.04 -8.55 -0.97 0
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329091 126731226 1 PF2N4O7C23H27 AB2C4D7E23F27 -420.58 11.64 -8.84 -1.21 0
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329092 126731227 1 PF2N4O7C24H29 AB2C4D7E24F29 -425.53 5.12 -8.58 -0.97 0
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329093 126731228 1 PF2N3O9C23H24 AB2C3D9E23F24 -454.02 6.11 -9.36 -1.19 0
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329094 126731245 1 F2N3O5H17C20 A2B3C5D17E20 -240.49 6.95 -9.45 -1.17 0
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329095 126731246 1 PF2N4O12C31H37 AB2C4D12E31F37 -589.75 4.08 -8.66 -1.07 0
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329096 126731247 1 PF2N4O9C31H35 AB2C4D9E31F35 -491.64 5.01 -9.51 -0.75 0
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329097 126731249 1 PF2N4O9C29H41 AB2C4D9E29F41 -532.83 12.85 -9.76 -0.78 0
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329098 126731250 1 PF2N4O11C29H31 AB2C4D11E29F31 -548.24 3.91 -9.2 -1.26 0
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329099 126731253 1 F2N3O8C19H21 A2B3C8D19E21 -368.8 7.69 -9.06 -1.14 0
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329100 126731254 1 PF2N3O7C20H30 AB2C3D7E20F30 -472.24 8.32 -9.86 -0.98 0
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329101 126731255 1 PF2N4O11C29H31 AB2C4D11E29F31 -543.4 4.99 -9.35 -1.25 0
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329102 126731257 1 O16C19H34 A16B19C34 -722.71 7.55 -10.36 0.34 0
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329103 126731258 1 PF2N4O11H33C36 AB2C4D11E33F36 -504.31 8.45 -9.79 -2.12 0
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329104 126731259 1 ClPF2N3O9C21H23 ABC2D3E9F21G23 -483.87 4.88 -9.47 -1.39 0
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329105 126731266 1 N2O2F3C13H17 A2B2C3D13E17 -220.72 7.27 -8.72 -0.42 0
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329106 126731267 1 N2O3C12H18 A2B3C12D18 -101.98 6.74 -8.54 -0.16 0
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329107 126731271 1 N2O2C13H20 A2B2C13D20 -78.35 7.07 -8.5 0.16 0
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329108 126731272 2 NOC7H11 ABC7D11 -71.1 7.92 -8.45 0.15 0