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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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447161 135280833 1 N3C17H19 A3B17C19 89.45 3.96 -9.17 -0.14 0
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447162 135280855 1 PN2C18H37 AB2C18D37 -24.21 4.03 -8.8 0.99 0
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447163 135280856 1 NC27H31 AB27C31 65.84 2.49 -8.54 -0.32 0
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447164 135280862 1 O6C23H38 A6B23C38 -261.75 4.63 -9.23 0.12 0
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447165 135280863 2 O3C12H20 A3B12C20 -281.09 3.72 -9.22 0.27 0
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447166 135280883 1 NSO2C4H9 ABC2D4E9 -76.82 2.74 -8.69 -0.01 0
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447167 135280892 1 N4O16C29H56 A4B16C29D56 -762.65 5.58 -9.84 0.59 0
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447168 135280893 1 N4O14C27H56 A4B14C27D56 -657.43 2.51 -9.45 0.53 0
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447169 135280909 1 N2S2C11H26 A2B2C11D26 -27.01 2.9 -8.78 -0.92 0
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447170 135280911 1 O5C16H20 A5B16C20 -173.74 2.84 -9.64 -0.73 0
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447171 135280917 1 SO2C16H28 AB2C16D28 -135.8 5.82 -8.55 0.5 0
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447172 135280938 2 NO3H4C6 AB3C4D6 -16.47 4.31 -9.86 -2.5 0
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447173 135280939 1 NC24H33 AB24C33 35.13 1.69 -8.56 0.16 0
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447174 135280940 1 NSC10H25 ABC10D25 0.58 2.11 -6.6 1.21 0
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447175 135280944 2 NC7H16 AB7C16 -49.36 1.94 -8.52 2.6 0
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447176 135280945 1 N3C14H33 A3B14C33 -41.08 3.15 -8.54 2.51 0
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447177 135280948 1 NC15H29 AB15C29 -21.92 1.38 -8.72 1.36 0
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447178 135280964 2 O10N13C30H47 A10B13C30D47 -606.07 16.61 -7.99 -0.76 0
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447179 135280971 1 NC19H23 AB19C23 36.91 2.48 -8.47 -0.58 0
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447180 135280973 1 OC14H16 AB14C16 -4.04 1.21 -9.22 -0.15 0
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447181 135280978 1 O4C31H52 A4B31C52 -213.39 5.17 -8.79 -0.25 0
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447182 135280987 1 NC17H19 AB17C19 48.18 3.82 -9.0 -0.2 0
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447183 135281020 1 F2N3O7C18H21 A2B3C7D18E21 -286.21 1.47 -9.98 -1.14 0
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447184 135281021 1 BrF2O3C11H17 AB2C3D11E17 -257.8 2.45 -10.18 -1.72 0
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447185 135281022 1 F2N3O5H17C20 A2B3C5D17E20 -177.22 4.5 -9.42 -1.08 0
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447186 135281029 1 F2N3O5C18H21 A2B3C5D18E21 -215.88 6.32 -9.85 -1.16 0
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447187 135281030 1 F2N3O8H13C16 A2B3C8D13E16 -272.81 3.06 -10.11 -1.22 0
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447188 135281040 2 NOC10H16 ABC10D16 -108.26 4.14 -9.22 0.1 0
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447189 135281049 2 ON3C11H14 AB3C11D14 -10.44 5.04 -8.36 -0.68 0
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447190 135281056 1 O2N7C25H33 A2B7C25D33 -8.79 3.93 -8.45 -0.78 0
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447191 135281062 1 F3O3N4H19C20 A3B3C4D19E20 -214.39 5.93 -9.39 -1.16 0
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447192 135281063 1 S8C13H28 A8B13C28 -19.83 1.3 -8.96 -0.26 0
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447193 135281069 1 N2F3O4H9C10 A2B3C4D9E10 -296.93 4.66 -10.4 -1.3 0
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447194 135281072 1 ClN3O3H16C18 AB3C3D16E18 -28.83 3.02 -8.84 -0.86 1
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447195 135281074 1 PN4O6C33H52 AB4C6D33E52 -259.34 7.14 0.0 0.0 1
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447196 135281075 1 PN3O6C27H37 AB3C6D27E37 -235.86 4.46 0.0 0.0 0
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447197 135281105 1 PF3N3O6C25H31 AB3C3D6E25F31 -413.63 5.63 -7.93 -0.89 0
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447198 135281106 1 NO3C10H17 AB3C10D17 -130.33 6.45 -9.43 0.13 0
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447199 135281108 1 ClPN3O6C30H43 ABC3D6E30F43 -252.11 17.43 -8.62 -1.62 0
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447200 135281115 1 N7H17C23 A7B17C23 171.83 3.05 -8.64 -1.32 0
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447201 135281119 1 SO2N8H20C22 AB2C8D20E22 77.04 4.37 -8.82 -1.37 0
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447202 135281138 1 FON7H16C21 ABC7D16E21 72.03 1.24 -9.1 -1.45 0
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447203 135281148 1 BrO3N4C14H15 AB3C4D14E15 -64.61 4.29 -8.85 -1.04 0
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447204 135281154 1 ClON7H24C26 ABC7D24E26 93.7 0.48 -8.76 -1.18 0
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447205 135281167 1 BrO2N4H11C15 AB2C4D11E15 81.81 3.83 -9.07 -1.56 0
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447206 135281172 1 ON7H25C26 AB7C25D26 103.23 3.13 -8.68 -1.08 0
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447207 135281187 2 NO2C10H15 AB2C10D15 -157.35 2.18 -9.35 -1.51 0
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447208 135281188 2 NO2C9H11 AB2C9D11 -100.07 2.92 -8.98 -1.56 0
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447209 135281194 1 BrSO2N4C17H17 ABC2D4E17F17 -6.21 3.76 -8.82 -1.06 0
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447210 135281206 2 SN4O6H22C26 AB4C6D22E26 -320.71 7.74 -8.89 -1.01 0