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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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402755 135057140 1 ClFOC9H10 ABCD9E10 -87.35 2.6 -9.93 -0.19 0
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402756 135057143 1 O2C11H16 A2B11C16 -83.36 4.97 -8.88 -0.03 0
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402757 135057147 1 NPO3C10H22 ABC3D10E22 -186.64 6.0 -9.91 0.92 0
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402758 135057148 1 NSSiO4C9H19 ABCD4E9F19 -188.84 4.4 -9.95 -0.44 0
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402759 135057150 1 NOC10H13 ABC10D13 -13.26 2.67 -9.78 -0.29 0
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402760 135057152 1 BrOC11H13 ABC11D13 -16.33 3.32 -9.46 -0.18 0
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402761 135057153 1 NO3C10H17 AB3C10D17 -69.47 6.41 -10.19 -0.44 0
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402762 135057166 1 ClNF3C10H11 ABC3D10E11 -162.88 2.03 -10.52 -1.07 0
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402763 135057168 1 SN2O3H8C10 AB2C3D8E10 -20.02 5.59 -9.75 -1.0 0
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402764 135057176 1 NSO4C10H17 ABC4D10E17 -176.52 2.5 -9.05 -0.08 0
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402765 135057178 1 OC15H18 AB15C18 -29.73 5.25 -9.31 0.02 0
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402766 135057183 1 NO3C12H19 AB3C12D19 -130.19 2.5 -10.01 0.1 0
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402767 135057184 1 FOC12H21 ABC12D21 -117.15 1.21 -10.2 -0.36 0
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402768 135057190 1 O4C13H14 A4B13C14 -129.06 6.76 -9.03 -0.25 0
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402769 135057192 1 NOC13H17 ABC13D17 5.19 3.73 -9.13 0.54 0
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402770 135057193 1 FKO3C12H12 ABC3D12E12 -179.04 7.68 -9.32 0.08 0
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402771 135057194 1 FO3C12H13 AB3C12D13 -136.94 3.67 -9.96 -0.33 0
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402772 135057195 1 O3C12H22 A3B12C22 -163.41 2.25 -9.4 0.44 0
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402773 135057196 1 NO2C14H15 AB2C14D15 -35.17 3.04 -9.37 -0.1 0
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402774 135057212 1 SN2O3C12H12 AB2C3D12E12 -80.79 4.16 -9.18 -1.29 0
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402775 135057213 1 NCl3C9H16 AB3C9D16 -49.39 4.83 -10.22 -0.35 0
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402776 135057217 1 O2C13H16 A2B13C16 -68.1 1.94 -9.86 -0.62 0
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402778 135057223 1 BrO4H11C12 AB4C11D12 -114.28 3.18 -8.96 -0.91 0
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402779 135057225 1 O2C13H16 A2B13C16 -48.01 2.41 -9.12 -0.24 0
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402780 135057228 1 ClOSH11C14 ABCD11E14 31.07 2.89 -8.67 -0.69 0
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402781 135057230 1 NOSC12H25 ABCD12E25 -71.71 2.83 -8.06 0.68 0
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402782 135057245 1 ClO2C13H17 AB2C13D17 -86.51 2.02 -9.57 -0.3 0
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402783 135057259 1 C8H9N11 A8B9C11 233.07 3.62 -9.04 -1.88 0
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402784 135057269 1 O3C14H20 A3B14C20 -153.73 0.93 -9.17 0.15 0
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402785 135057279 2 O2C6H9 A2B6C9 -173.2 3.15 -9.47 -0.76 0
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402786 135057280 1 OC13H20 AB13C20 -40.29 1.41 -8.72 1.61 0
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402787 135057283 4 OC3H5 AB3C5 -193.97 2.63 -10.37 0.52 0
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402788 135057284 1 OSeC14H16 ABC14D16 -21.43 2.72 -8.54 -0.69 0
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402789 135057286 1 NPO3C10H20 ABC3D10E20 -166.97 2.52 -9.98 1.01 0
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402790 135057288 1 SiO3C11H24 AB3C11D24 -201.25 4.18 -9.52 0.8 0
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402791 135057291 1 SnC9H18 AB9C18 0.32 0.49 -8.56 1.01 1
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402792 135057292 1 NC5F5H7 AB5C5D7 -250.0 5.29 0.0 0.0 -1
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402793 135057293 1 NOH6C8 ABC6D8 64.83 3.82 0.0 0.0 0
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402794 135057294 1 O5C11H14 A5B11C14 -152.56 6.87 -10.42 -0.81 0
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402795 135057295 1 BrNSeC13H18 ABCD13E18 20.99 10.0 -8.8 -0.83 0
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402796 135057300 1 NO2C9H9 AB2C9D9 -4.34 4.25 -9.32 -1.25 0
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402797 135057303 1 NO2C17H21 AB2C17D21 -57.58 4.63 -8.62 -0.25 0
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402798 135057306 1 NO2C14H17 AB2C14D17 -73.68 4.85 -8.73 -0.32 0
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402799 135057309 1 NO2C18H25 AB2C18D25 -87.41 3.45 -8.7 -0.29 0
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402800 135057310 1 NO3C18H21 AB3C18D21 -86.36 3.28 -9.05 -0.69 0
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402801 135057313 1 NO2C13H19 AB2C13D19 -82.07 1.06 -8.75 -0.31 0
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402802 135057323 1 N2O4C25H28 A2B4C25D28 -135.52 6.73 -8.89 -0.78 0
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402803 135057337 1 OSN2H12C14 ABC2D12E14 45.46 1.66 -8.94 -1.08 0
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402804 135057341 1 O2N3C14H15 A2B3C14D15 -8.18 6.13 -9.32 -0.57 0
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402805 135057349 1 NO5C17H25 AB5C17D25 -192.76 4.76 -9.61 -2.38 0
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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