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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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223916 85335770 1 P2S2K3O15C17H29 A2B2C3D15E17F29 -732.32 74.52 -4.91 -2.06 0
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223917 85335777 2 N3O4C18H21 A3B4C18D21 -283.89 8.75 -8.74 -1.61 0
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223918 85335779 1 N8O13C30H44 A8B13C30D44 -570.49 10.79 -9.75 -0.46 0
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223919 85335781 1 N10O10C31H56 A10B10C31D56 -505.47 9.75 -9.53 -0.4 0
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223920 85335782 1 F2O4N5C42H53 A2B4C5D42E53 -203.55 8.82 -8.84 -1.02 0
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223921 85335783 1 SN5O8C38H45 AB5C8D38E45 -243.27 5.46 -8.99 -1.17 0
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223923 85335785 1 N3O10H39C41 A3B10C39D41 -290.27 4.44 -8.54 -0.25 0
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223924 85335786 1 O9N11C32H51 A9B11C32D51 -412.48 7.31 -9.05 0.04 0
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223925 85335787 1 NSO7C43H59 ABC7D43E59 -297.78 7.9 -8.68 -0.38 0
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223927 85335789 1 N3P3O15C18H25 A3B3C15D18E25 -778.08 8.14 0.0 0.0 0
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223928 85335790 1 BrClO3N6C37H46 ABC3D6E37F46 -77.95 8.88 -8.63 -0.9 2
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223931 85335793 1 N3O11C39H55 A3B11C39D55 -449.47 2.05 -9.07 -0.84 0
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223932 85335794 1 O10N13C29H53 A10B13C29D53 -457.13 6.36 -9.29 -0.03 0
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223933 85335795 1 N6O9C39H50 A6B9C39D50 -364.5 2.85 -9.63 -0.19 0
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223934 85335796 1 SN6O7C39H50 AB6C7D39E50 -220.73 10.76 -9.1 -1.29 0
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223935 85335797 1 O3N6C46H62 A3B6C46D62 -119.09 9.12 -8.42 -0.1 0
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223936 85335810 1 SO9N10C33H52 AB9C10D33E52 -381.25 7.55 -8.7 -0.27 0
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223937 85336013 1 ON3C6H11 AB3C6D11 20.72 2.99 -9.17 0.81 0
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223938 85336078 1 ClNOC23H26 ABCD23E26 -26.93 7.89 -9.66 -0.75 0
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223939 85336155 1 FSN3O3C18H18 ABC3D3E18F18 -128.79 5.64 -8.91 -0.72 0
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223940 85336159 1 O2N3C23H25 A2B3C23D25 15.64 4.89 -8.13 -1.83 0
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223941 85336161 1 NO4C22H33 AB4C22D33 -207.39 1.32 -9.61 0.26 0
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223942 85336164 2 NOF3H5C8 ABC3D5E8 -308.78 10.01 -9.42 -1.56 0
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223943 85336192 1 SO6C19H22 AB6C19D22 -178.93 6.52 -8.76 -0.31 0
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223944 85336198 1 N3O9C14H25 A3B9C14D25 -427.39 6.29 -9.98 -0.03 0