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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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141113 52820671 1 N2O3C19H30 A2B3C19D30 -145.0 3.08 -8.74 0.37 0
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141114 52820749 1 N3O4C25H33 A3B4C25D33 -141.6 7.42 -8.77 -0.31 0
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141115 52820750 1 N3O4C25H33 A3B4C25D33 -145.34 6.45 -8.45 -0.08 0
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141116 52820751 1 ClON3C24H26 ABC3D24E26 9.15 4.28 -8.74 -1.1 0
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141117 52820752 1 N3O3C21H31 A3B3C21D31 -119.98 4.18 -8.86 0.39 0
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141118 52820753 1 SO2N5C18H23 AB2C5D18E23 -8.42 4.2 -9.36 -1.14 0
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141119 52820754 1 SN2O3C28H32 AB2C3D28E32 -67.83 10.61 -8.94 -0.45 0
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141120 52820791 1 BrSN2O3C19H23 ABC2D3E19F23 -84.86 1.12 -8.86 -0.7 0
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141121 52820836 1 BrFN2O2C19H20 ABC2D2E19F20 -84.68 5.15 -9.03 -0.26 0
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141122 52820941 1 BrN3O3C18H24 AB3C3D18E24 -104.25 2.02 -9.2 -0.27 0
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141123 52820942 1 BrN3O3C18H24 AB3C3D18E24 -104.11 6.56 -9.27 -0.41 0
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141124 52820943 1 BrClNOSC15H15 ABCDEF15G15 11.06 2.22 -9.09 -0.44 0
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141125 52820944 1 BrClNOSC15H15 ABCDEF15G15 11.86 3.12 -9.04 -0.5 0
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141126 52820945 1 BrNO2C18H20 ABC2D18E20 -29.32 1.61 -8.78 -0.23 0
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141127 52820946 1 BrNO2C18H20 ABC2D18E20 -29.13 1.9 -8.9 -0.21 0
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141128 52820947 1 BrN2O2C20H23 AB2C2D20E23 -40.2 2.29 -9.11 -0.28 0
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141129 52820948 1 BrN2O2C20H23 AB2C2D20E23 -39.53 3.44 -9.11 -0.24 0
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141130 52820980 1 SF3O3H13C15 AB3C3D13E15 -247.75 4.05 -8.86 -1.24 0
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141131 52822135 1 ON4C23H26 AB4C23D26 38.31 2.92 -8.61 -1.19 0
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141132 52822223 1 F2N2O2H16C19 A2B2C2D16E19 -101.45 3.63 -9.39 -1.24 0
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141133 52822429 2 ON3C11H11 AB3C11D11 15.28 2.83 -8.43 -0.49 0
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141134 52822501 2 NO3C8H11 AB3C8D11 -258.28 1.58 -8.65 -0.1 0
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141135 52822550 1 S2N3O3C17H17 A2B3C3D17E17 -51.22 2.56 -9.14 -1.17 0
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141136 52822560 1 SN2O3C15H16 AB2C3D15E16 -80.78 6.39 -9.65 -1.45 0
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141137 52822867 1 N3O3S3C19H29 A3B3C3D19E29 -104.33 4.62 -8.2 -1.1 0
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141138 52823161 1 SO2F3N4H15C21 AB2C3D4E15F21 -127.01 5.07 -8.69 -1.05 0
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141139 52824407 2 NOC9H14 ABC9D14 -107.78 2.86 -9.02 0.44 0
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141140 52824856 1 SN3O4C23H27 AB3C4D23E27 -131.85 7.48 -8.01 -0.94 0
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141141 52825326 1 O2N4C23H26 A2B4C23D26 -21.41 3.8 -9.34 -0.7 0
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141142 52825615 3 NOC8H13 ABC8D13 -157.4 6.16 -8.07 0.35 0
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141143 52825637 1 O4N5C24H27 A4B5C24D27 -83.85 7.62 -8.74 -0.58 0
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141144 52825638 1 N5O5C22H25 A5B5C22D25 -120.84 9.63 -8.83 -0.67 0
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141145 52825761 1 S2N3O3H23C24 A2B3C3D23E24 -55.05 5.65 -8.84 -1.06 0
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141146 52826320 1 S2N3O3C18H29 A2B3C3D18E29 -108.79 6.62 -8.77 -0.57 0
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141147 52826827 1 O2F3N4C25H29 A2B3C4D25E29 -183.31 4.62 -9.03 -0.66 0
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141148 52827234 1 SO3N6C23H28 AB3C6D23E28 -32.42 7.2 -9.27 -1.41 -1
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141149 52827335 1 SO2N6C19H19 AB2C6D19E19 71.23 2.95 0.0 0.0 0
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141150 52827420 1 OSN4H18C21 ABC4D18E21 75.42 5.07 -8.88 -1.12 0
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141151 52827494 1 O2N5C22H25 A2B5C22D25 -30.46 3.75 -8.46 -0.42 0
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141152 52827495 1 O3N6H24C25 A3B6C24D25 27.99 7.21 -8.7 -0.72 1
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141153 52828411 1 SO3N5C12H18 AB3C5D12E18 29.48 22.08 0.0 0.0 0
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141154 52828412 1 SO3N5C12H17 AB3C5D12E17 9.89 5.1 -8.88 -1.4 1
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141155 52828413 1 ClO2F3N5C17H20 AB2C3D5E17F20 -150.13 27.44 0.0 0.0 0
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141156 52828414 1 ClO2F3N5C17H19 AB2C3D5E17F19 -168.9 8.49 -8.97 -1.26 1
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141157 52828712 1 NO2C16H18 AB2C16D18 -26.59 3.59 0.0 0.0 0
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141158 52828713 1 NO2C16H17 AB2C16D17 -44.73 3.54 -9.07 -0.04 1
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141159 52828714 1 NO3C18H22 AB3C18D22 -71.79 5.75 0.0 0.0 0
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141160 52828715 1 NO3C18H21 AB3C18D21 -90.64 3.71 -8.74 -0.01 1
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141161 52828716 1 ClN2O3C16H16 AB2C3D16E16 3.35 11.89 0.0 0.0 0
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141162 52828873 1 SN3O5C17H23 AB3C5D17E23 -146.41 3.93 -9.73 -1.17 -1