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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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186101 77390501 1 N7O7C25H27 A7B7C25D27 -210.65 4.02 -9.13 -1.43 0
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186102 77390616 1 OF2N8C33H36 AB2C8D33E36 53.13 5.7 -8.74 -1.08 0
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186103 77390761 1 OF5N7C23H28 AB5C7D23E28 -257.6 10.44 -9.29 -0.77 0
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186104 77390762 1 O5N8C30H42 A5B8C30D42 -142.24 2.01 -8.46 -0.77 0
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186105 77390776 1 N3O6C26H33 A3B6C26D33 -210.35 3.35 -9.23 -0.19 0
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186106 77390830 1 ClFON4C32H32 ABCD4E32F32 14.02 4.77 -8.72 -0.86 0
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186107 77390831 1 OF2N5H31C33 AB2C5D31E33 6.55 8.1 -9.06 -0.88 0
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186108 77390977 1 NO2C18H25 AB2C18D25 -87.65 2.9 -9.47 0.29 0
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186109 77391284 1 F3O3N6H27C28 A3B3C6D27E28 -179.23 3.92 -8.86 -1.11 0
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186110 77391285 1 SF2N6O9C36H38 AB2C6D9E36F38 -351.16 7.92 -9.07 -0.64 0
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186111 77391286 1 SF2N6O9C36H38 AB2C6D9E36F38 -346.69 4.91 -9.14 -0.54 0
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186112 77391523 1 OF2N6H22C25 AB2C6D22E25 26.26 1.37 -8.98 -1.04 0
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186113 77391589 1 SSiN2O5C22H34 ABC2D5E22F34 -236.19 3.45 -8.72 -0.62 0
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186114 77391709 1 OSF3N3C16H16 ABC3D3E16F16 -119.18 5.25 -8.69 -1.69 0
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186115 77391710 1 OF2N4H24C28 AB2C4D24E28 -17.89 6.77 -8.61 -0.82 0
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186116 77391711 2 NH12C14 AB12C14 126.41 3.05 -8.74 -0.36 0
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186117 77391809 1 FS2N6O9C32H33 AB2C6D9E32F33 -257.76 7.56 -9.13 -1.34 0
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186118 77391810 1 FS2N6O9C32H33 AB2C6D9E32F33 -253.37 5.97 -9.06 -1.41 0
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186119 77391811 1 NO10C47H53 AB10C47D53 -351.4 1.96 -8.64 -0.03 0
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186120 77391812 1 NO9C24H27 AB9C24D27 -326.97 5.21 -8.67 -1.13 1
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186121 77391893 1 S2O3N4C13H13 A2B3C4D13E13 -55.85 2.02 0.0 0.0 0
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186122 77392267 1 N4O4C23H24 A4B4C23D24 -81.42 7.58 -9.07 -0.97 0
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186123 77392861 1 OSF3N6C23H23 ABC3D6E23F23 -100.3 8.48 -8.42 -1.24 0
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186124 77392862 1 FOSN6C23H25 ABCD6E23F25 8.7 3.33 -8.22 -0.63 0
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186125 77392863 1 NO2C9H15 AB2C9D15 -87.94 2.21 -9.58 0.56 0
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186126 77393173 1 ON3C20H23 AB3C20D23 92.47 7.55 -9.15 -1.32 0
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186127 77393376 1 O3N5C33H37 A3B5C33D37 -71.68 3.82 -8.76 -0.88 0
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186128 77393712 1 O7N8C42H52 A7B8C42D52 -225.14 2.82 -8.74 -0.92 0
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186129 77393786 1 PSN3O8C20H28 ABC3D8E20F28 -297.68 4.87 -9.63 -2.04 0
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186130 77394475 1 ON7C14H17 AB7C14D17 85.1 9.58 -9.63 -1.24 0
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186131 77395309 1 O3N4C15H18 A3B4C15D18 -27.05 4.41 -8.84 -1.8 0
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186132 77395639 1 O2C15H22 A2B15C22 -97.02 2.16 -8.91 0.0 0
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186133 77395640 1 NOC17H27 ABC17D27 -70.94 3.73 -8.74 0.56 0
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186134 77395641 1 NOC18H29 ABC18D29 -69.58 4.1 -8.79 0.83 0
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186135 77395965 1 O7H22C23 A7B22C23 -220.28 4.31 -9.03 -0.89 0
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186136 77395980 1 N2O8H18C23 A2B8C18D23 -166.51 4.78 -10.23 -1.88 0
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186137 77395981 1 N2F3O3C33H45 A2B3C3D33E45 -273.26 8.62 -9.99 -0.98 0
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186138 77395982 1 NO2C26H37 AB2C26D37 -49.31 2.17 -8.92 0.83 0
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186139 77395983 1 NO2C28H37 AB2C28D37 -12.97 6.71 -8.17 -1.2 0
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186140 77396020 1 ClN7H16C17 AB7C16D17 121.35 1.77 -8.65 -1.34 0
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186141 77396021 1 NO4C6H11 AB4C6D11 -178.46 0.81 -10.11 0.85 0
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186142 77396022 1 SN4O6C34H38 AB4C6D34E38 -178.9 12.16 -8.1 -0.99 0
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186143 77396023 1 N2O2F3C15H19 A2B2C3D15E19 -235.87 2.78 -9.25 0.03 0
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186144 77396103 1 O3N6C33H34 A3B6C33D34 15.95 10.1 -8.39 -0.62 0
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186145 77396104 1 O4C11H14 A4B11C14 -144.15 4.75 -8.58 -0.37 0
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186146 77396301 1 N3O3C12H25 A3B3C12D25 -144.8 4.33 -8.51 1.05 0
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186147 77396306 1 SO6N8C43H48 AB6C8D43E48 -131.5 10.35 -8.91 -1.28 0
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186148 77396307 1 BrFN2O3C21H26 ABC2D3E21F26 -170.13 3.99 -9.74 -0.26 0
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186149 77396308 1 NO2C12H13 AB2C12D13 -53.11 3.09 -9.18 -0.39 0
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186150 77396309 2 O3C4H8 A3B4C8 -283.19 5.62 -10.25 0.99 0