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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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402806 135057352 2 O3H11C14 A3B11C14 -136.75 1.84 -8.45 -0.4 0
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402807 135057353 2 O3H15C16 A3B15C16 -119.62 0.76 -8.12 -0.18 0
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402808 135057355 1 O5H26C30 A5B26C30 -93.76 3.28 -8.24 -0.33 -3
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402809 135057360 1 N3P3C14O18H23 A3B3C14D18E23 -814.58 14.28 0.0 0.0 0
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402810 135057367 1 O4C7H12 A4B7C12 -189.39 2.53 -10.8 0.42 0
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402811 135057374 1 SiO2C32H46 AB2C32D46 -108.74 2.01 -9.18 0.07 0
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402812 135057376 1 SiO2C19H30 AB2C19D30 -122.24 0.48 -8.77 0.02 0
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402813 135057377 1 NSnO4C21H37 ABC4D21E37 -177.54 4.7 -9.95 -1.02 0
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402814 135057386 1 SO4H8C9 AB4C8D9 -100.29 4.63 -8.88 -0.71 0
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402815 135057387 2 OH9C11 AB9C11 3.1 2.51 -8.49 -0.68 0
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402816 135057388 2 OH7C9 AB7C9 4.61 2.25 -9.15 -0.94 0
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402817 135057389 1 FO2H11C17 AB2C11D17 -32.84 1.96 -9.38 -1.16 0
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402818 135057403 1 O2F3H13C17 A2B3C13D17 -190.61 4.48 -9.3 -0.81 0
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402819 135057406 1 O3C14H16 A3B14C16 -119.91 4.17 -9.52 -0.55 0
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402820 135057418 1 BrNOH14C16 ABCD14E16 8.85 5.29 -9.65 -0.59 0
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402821 135057419 1 NO2H17C18 AB2C17D18 -34.1 5.16 -9.8 -0.84 0
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402822 135057421 1 OC17H18 AB17C18 -14.95 3.12 -9.21 -0.08 0
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402823 135057422 1 NO3C22H27 AB3C22D27 -117.73 4.51 -9.16 -0.16 0
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402824 135057423 1 NOH21C22 ABC21D22 15.95 3.72 -9.16 -0.32 0
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402825 135057431 2 OC9H10 AB9C10 -55.32 4.98 -8.64 -0.11 0
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402826 135057433 1 OF2H14C16 AB2C14D16 -100.96 1.96 -9.57 -0.65 0
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402827 135057435 1 N2O2F3H19C26 A2B2C3D19E26 -145.34 1.37 -8.8 -0.96 0
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402828 135057436 1 N2O3H24C27 A2B3C24D27 -39.37 5.26 -8.74 -0.84 0
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402829 135057442 1 FOH15C19 ABC15D19 -20.1 4.18 -9.28 -1.11 0
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402830 135057444 1 OH18C20 AB18C20 22.61 3.57 -9.06 -1.02 0
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402831 135057445 1 NSiO2C24H31 ABC2D24E31 -102.27 2.34 -8.76 -0.44 0
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402832 135057448 1 NO3C23H31 AB3C23D31 -114.81 2.84 -7.9 0.24 0
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402833 135057449 1 NO3C21H27 AB3C21D27 -108.67 1.44 -8.06 0.11 0
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402834 135057454 1 NO2C18H21 AB2C18D21 -54.53 3.3 -9.6 -0.88 0
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402835 135057456 1 NOC15H23 ABC15D23 -14.06 4.04 -8.5 -0.37 0
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402836 135057457 1 BrSN3O6C24H30 ABC3D6E24F30 -163.04 4.65 -8.99 -1.87 0
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402837 135057458 1 BrON4C25H31 ABC4D25E31 25.34 7.85 -9.47 -0.94 0
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402838 135057460 1 BrO2H17C19 AB2C17D19 -23.31 2.43 -9.31 -0.67 0
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402839 135057461 1 ON2F3C17H17 AB2C3D17E17 -164.04 3.93 -9.91 -0.88 0
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402840 135057462 1 N2O2C21H26 A2B2C21D26 -46.65 4.09 -8.66 -0.7 0
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402841 135057463 1 NOF7H8C15 ABC7D8E15 -359.11 7.23 -9.67 -1.57 0
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402842 135057464 1 NPO5C15H24 ABC5D15E24 -265.67 5.84 -9.07 -0.57 0
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402843 135057467 1 FNO3C11H12 ABC3D11E12 -108.93 1.54 -9.34 -1.16 0
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402844 135057479 1 BrOSN2H11C14 ABCD2E11F14 47.38 3.52 -9.09 -1.17 0
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402845 135057497 1 NSiC19H19 ABC19D19 70.76 4.1 -9.37 -0.08 0
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402846 135057507 1 SO2C7H14 AB2C7D14 -87.66 5.93 -8.44 0.85 0
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402847 135057514 2 PS2O3C9H19 AB2C3D9E19 -363.26 5.23 -7.76 -0.82 1
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402848 135057515 1 P2S4O6C18H39 A2B4C6D18E39 -392.52 5.85 0.0 0.0 -2
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402849 135057532 2 BC3F3H5 AB3C3D5 -528.29 0.22 -10.14 0.79 0
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402850 135057533 1 BClC3O3H6 ABC3D3E6 -195.45 2.37 -10.46 -0.17 0
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402852 135057546 1 PO2C15H25 AB2C15D25 -139.39 3.81 -9.14 0.01 0
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402853 135057547 1 PO2C17H21 AB2C17D21 -80.39 5.28 -9.47 -0.06 0
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402854 135057548 2 OC11H17 AB11C17 -111.08 7.91 -9.85 -0.48 0
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402855 135057563 1 PO3C27H39 AB3C27D39 -181.03 5.63 -9.32 -0.5 0
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402856 135057568 1 OSiC13H22 ABC13D22 -69.34 1.17 -8.53 0.5 0
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402857 135057577 1 OSC12H16 ABC12D16 -28.58 4.56 -9.29 -0.78 0
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402858 135057581 1 BrNO3C21H22 ABC3D21E22 -99.56 2.83 -8.88 -0.69 0
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402859 135057584 1 BrNSO4C14H18 ABCD4E14F18 -165.11 4.52 -10.25 -0.95 0
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402860 135057586 1 N2O3C23H24 A2B3C23D24 -86.35 3.82 -8.7 -0.82 0
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402861 135057589 1 SN2O4C29H30 AB2C4D29E30 -106.44 6.46 -8.46 -0.7 0
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402862 135057590 1 NOF3H12C16 ABC3D12E16 -141.75 6.8 -8.76 -0.68 0
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402863 135057593 1 NSO3H17C24 ABC3D17E24 -33.99 5.53 -8.6 -1.03 0
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402864 135057594 1 NS2O3H15C19 AB2C3D15E19 -58.15 6.03 -8.74 -1.13 0
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402865 135057596 2 NOH7C8 ABC7D8 -36.44 4.95 -9.83 -0.9 0
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402866 135057599 1 N2O2C15H18 A2B2C15D18 -30.31 3.73 -9.35 -0.77 0
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402867 135057601 1 ClNO2C12H16 ABC2D12E16 -80.34 1.57 -8.96 -0.73 0
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402868 135057602 1 NO2F3C13H16 AB2C3D13E16 -234.49 3.46 -9.11 -0.93 0
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402869 135057604 1 NO2H11C12 AB2C11D12 -13.33 6.34 -9.57 -0.6 0
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402870 135057605 1 SN2O2C13H18 AB2C2D13E18 -44.6 5.63 -9.62 -0.1 0
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402871 135057608 1 NSO4H17C21 ABC4D17E21 -94.34 5.84 -8.76 -0.74 0
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402872 135057611 1 NCl2O2H11C14 AB2C2D11E14 -49.05 2.5 -9.85 -1.21 0
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402873 135057614 1 BClNO3C15H21 ABCD3E15F21 -226.07 5.79 -9.02 -0.37 0
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402874 135057616 1 BBrNO3C15H21 ABCD3E15F21 -216.0 6.55 -8.87 -0.42 0
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402875 135057622 1 NO2H15C17 AB2C15D17 1.93 4.98 -8.83 -0.71 0
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402876 135057626 1 ON3H13C20 AB3C13D20 124.58 3.58 -9.33 -1.24 -1
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402877 135057629 1 BBrNO3C15H20 ABCD3E15F20 -180.61 0.84 0.0 0.0 0
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402878 135057630 1 ON2H14C20 AB2C14D20 82.82 2.91 -8.87 -0.86 0
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402879 135057649 1 ClFO3N4H12C21 ABC3D4E12F21 60.12 2.38 -9.52 -2.31 0
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402880 135057656 1 Cl2O2N7C26H27 A2B2C7D26E27 51.76 2.7 -8.42 -1.38 0
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402881 135057657 2 N2O2C11H12 A2B2C11D12 -77.98 7.65 -8.75 -0.4 0