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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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389788 134995245 1 ClSN2O2C12H13 ABC2D2E12F13 -44.93 2.15 -8.4 -1.65 0
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389789 134995250 1 NO4C12H19 AB4C12D19 -169.67 2.02 -10.06 -0.24 0
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389790 134995252 1 PC17H27 AB17C27 -33.21 1.79 -8.19 0.55 0
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389791 134995257 2 O2C6H9 A2B6C9 -162.32 2.45 -9.02 0.32 0
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389792 134995258 1 OC16H26 AB16C26 -55.69 2.1 -9.21 1.32 0
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389793 134995269 1 PCl2O2C16H17 AB2C2D16E17 -84.54 6.46 -9.38 -0.84 0
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389794 134995274 1 OC10H18 AB10C18 -37.65 2.35 -10.06 1.67 0
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389795 134995275 2 OC6H10 AB6C10 -86.13 2.83 -10.06 -0.03 0
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389796 134995277 1 C15H26 A15B26 -10.54 0.29 -9.18 1.38 0
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389797 134995278 1 O3C12H20 A3B12C20 -120.47 3.37 -9.7 1.88 0
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389799 134995290 1 S3O6C7H12 A3B6C7D12 -256.36 7.76 -9.27 -2.0 0
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389800 134995291 1 SO2C7H14 AB2C7D14 -76.87 6.19 -8.51 0.07 0
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389801 134995292 1 BrOSC7H15 ABCD7E15 -54.8 4.37 -8.52 -0.11 0
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389802 134995296 1 N4C11H16 A4B11C16 67.25 2.0 -8.5 -0.34 0
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389803 134995306 1 ClOPSC9H12 ABCDE9F12 -84.96 3.54 -9.3 -0.44 0
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389805 134995326 8 C2H3 A2B3 35.23 0.17 -9.41 0.81 0
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389808 134995340 1 O2N3C6H13 A2B3C6D13 -36.85 4.49 -9.78 0.1 0
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389809 134995342 2 O2C3N3H4 A2B3C3D4 62.32 4.99 -11.13 -1.47 1
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389810 134995343 1 NPC3O3H11 ABC3D3E11 -172.01 7.32 0.0 0.0 0
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389811 134995344 2 C6H7 A6B7 97.71 0.06 -9.25 0.08 0
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389812 134995348 1 ClPO3C13H18 ABC3D13E18 -179.85 0.78 -9.29 -0.24 0
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389813 134995350 3 OC3H4 AB3C4 -99.14 5.6 -10.02 -0.38 0
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389814 134995351 1 PO3C11H13 AB3C11D13 -119.6 3.3 -9.98 -0.6 0
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389816 134995355 1 FH3C6 AB3C6 81.46 1.25 -10.14 -0.66 -1
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389817 134995376 1 SO3C9H13 AB3C9D13 -115.66 6.8 0.0 0.0 0
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389818 134995383 1 NO4C10H17 AB4C10D17 -176.52 1.84 -10.09 0.1 0
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389819 134995391 1 O3C15H20 A3B15C20 -107.7 2.84 -9.16 0.24 0
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389820 134995392 1 NOH11C12 ABC11D12 46.49 3.76 -9.55 -0.13 0
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389821 134995401 2 C7H10 A7B10 15.5 0.39 -9.56 1.37 0
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389822 134995414 1 N3O3H5C7 A3B3C5D7 43.07 6.4 -9.51 -1.62 0
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389823 134995417 1 CrPH6O7C8 ABC6D7E8 -178.8 3.0 0.0 0.0 0
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389824 134995424 1 PC4H9 AB4C9 2.34 1.26 -9.28 1.49 0
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389825 134995428 1 C11H14 A11B14 46.48 0.58 -8.91 0.35 0
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389826 134995429 1 OC8H12 AB8C12 -13.01 1.57 -9.1 0.36 0
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389827 134995431 1 O2C13H24 A2B13C24 -118.96 2.5 -9.6 1.3 0
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389828 134995439 1 C13H24 A13B24 -23.82 0.63 -8.94 0.57 0
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389829 134995440 1 PCl2O2C17H19 AB2C2D17E19 -96.43 1.97 -9.45 -0.66 0
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389830 134995441 1 ClPN2O5C43H46 ABC2D5E43F46 -162.89 5.05 -9.24 -0.2 0
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389831 134995442 1 ClPN2O5C37H42 ABC2D5E37F42 -177.4 6.96 -9.13 -0.22 0
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389832 134995454 1 O3N5H9C10 A3B5C9D10 61.2 4.37 -9.91 -1.93 0
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389833 134995455 1 NaSeC4H9 ABC4D9 -13.98 9.48 -6.64 -0.24 0
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389834 134995463 1 ClNO2F3C5H5 ABC2D3E5F5 -194.92 0.87 -10.82 -1.12 0
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389835 134995464 1 NOC9H19 ABC9D19 -34.67 1.15 -9.57 1.1 0
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389836 134995465 1 NO3C7H15 AB3C7D15 -112.19 7.17 -9.58 0.56 0
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389837 134995475 1 OC10H20 AB10C20 -62.96 0.99 -9.5 1.25 0
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389838 134995478 1 O3C13H18 A3B13C18 -120.29 4.56 -8.91 0.2 0
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389839 134995483 1 OH4F6C8 AB4C6D8 -293.76 0.66 -10.75 -1.51 0
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389840 134995503 1 NCl3O3C5H8 AB3C3D5E8 -90.28 3.52 -11.2 -1.06 0
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389841 134995504 3 NC3H5 AB3C5 37.89 1.26 -8.2 0.33 0
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389842 134995513 1 O3C8H14 A3B8C14 -102.15 4.43 -9.73 0.8 0
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389843 134995514 1 NO2C11H21 AB2C11D21 -75.36 4.34 -9.0 1.02 0
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389844 134995516 1 ClOC9H19 ABC9D19 -97.13 1.56 -9.81 0.98 0
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389845 134995542 1 OC10H16 AB10C16 -43.68 1.67 -9.34 1.2 0
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389846 134995549 1 NBr2O2C3H5 AB2C2D3E5 -17.81 3.7 -10.99 -1.36 0
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389847 134995551 1 AsTeBr4C6H15 ABC4D6E15 -71.14 17.53 -7.49 -1.47 0
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389848 134995565 1 FO2C10H19 AB2C10D19 -145.79 1.96 -9.81 0.62 0
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389849 134995571 1 ClNC9H18 ABC9D18 -44.72 2.96 -9.39 0.96 0
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389850 134995574 1 BrC18H27 AB18C27 -20.04 1.59 -9.05 0.04 0
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389851 134995579 1 SO5C12H18 AB5C12D18 -135.79 3.52 -9.2 -0.12 0
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389852 134995582 1 NO4C9H15 AB4C9D15 -122.05 2.98 -10.55 -0.57 0
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389853 134995587 1 NO3C8H17 AB3C8D17 -99.28 3.95 -10.6 -0.48 0
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389854 134995591 1 N2O2C9H12 A2B2C9D12 13.85 4.77 -9.49 -0.52 0
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389855 134995594 1 SF2C4H8 AB2C4D8 -102.56 2.56 -9.01 0.4 0
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389856 134995608 1 BrF3O3C7H8 AB3C3D7E8 -290.02 2.89 -10.83 -1.58 0
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389857 134995612 1 FC17H17 AB17C17 -1.91 1.65 -9.29 0.21 0
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389858 134995621 1 NO2C8H11 AB2C8D11 -2.11 2.77 -10.03 -0.29 0
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389859 134995622 1 IO3C10H13 AB3C10D13 -46.81 2.21 -9.15 -1.26 0
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389860 134995625 1 N2C9H18 A2B9C18 -3.47 0.53 -7.71 2.58 0
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389861 134995628 1 NOC7H15 ABC7D15 -18.19 0.64 -9.65 0.9 0
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389862 134995633 1 ON2C10H22 AB2C10D22 -18.34 5.51 -9.86 0.28 0
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389863 134995634 2 NC5H7 AB5C7 167.27 0.3 -8.92 0.15 0
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389864 134995637 1 O4C13H16 A4B13C16 -134.99 1.22 -9.47 -0.59 0
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389865 134995648 1 ClO2C9H17 AB2C9D17 -125.81 2.58 -10.07 0.67 0
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389866 134995663 1 O3C9H16 A3B9C16 -72.68 3.41 -9.53 -0.21 0
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389867 134995666 1 NSO5C9H15 ABC5D9E15 -165.01 2.93 -9.53 -0.57 0
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389868 134995673 1 N2O2C5H12 A2B2C5D12 -85.64 5.16 -9.48 0.6 0
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389869 134995675 1 NO2C11H17 AB2C11D17 -50.5 1.63 -9.37 0.36 0
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389870 134995677 1 BrSiC3Cl3H6 ABC3D3E6 -135.24 2.19 -10.16 -0.99 0
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389871 134995684 1 ClOC11H19 ABC11D19 -80.23 2.87 -9.59 1.21 0
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389872 134995686 1 OC13H24 AB13C24 -59.21 2.15 -9.54 0.99 0
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389873 134995691 1 NO7C10H17 AB7C10D17 -244.64 3.53 -10.18 0.03 0
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389874 134995700 1 BrClOC9H10 ABCD9E10 -38.33 4.84 -9.17 -0.36 0
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389875 134995706 2 O2C3H6 A2B3C6 -131.93 1.11 -9.89 0.05 0
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389876 134995708 2 OC5H8 AB5C8 -18.28 1.91 -9.7 0.24 0
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389877 134995710 1 O3C13H24 A3B13C24 -95.9 1.94 -9.34 0.4 0
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389878 134995712 1 N5C12H17 A5B12C17 85.6 2.19 -8.53 -0.32 0
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389879 134995715 1 O2H6N6C9 A2B6C6D9 137.26 5.56 -10.0 -2.14 0
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389880 134995720 2 NOC5H7 ABC5D7 0.23 5.36 -9.52 -0.38 0
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389881 134995728 1 O3C12H20 A3B12C20 -129.68 3.9 -10.18 0.72 0
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389882 134995731 1 FO2C6H13 AB2C6D13 -164.18 2.85 -10.63 2.11 0
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389883 134995734 1 ClO3C10H13 AB3C10D13 -115.3 2.22 -8.5 -0.09 0
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389884 134995737 1 BrC10H17 AB10C17 -6.58 2.48 -9.18 -0.49 0
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389885 134995745 1 O3C15H28 A3B15C28 -109.62 1.35 -9.2 0.44 0
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389886 134995746 1 N2O3C11H12 A2B3C11D12 -84.11 2.53 -9.25 -0.44 0
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389887 134995761 1 NOC9H13 ABC9D13 8.11 0.95 -9.43 1.01 0
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389888 134995769 1 O3C13H18 A3B13C18 -136.7 2.48 -9.27 0.48 0
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389889 134995772 1 PO2C15H27 AB2C15D27 -164.22 5.63 -9.55 2.36 0
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389890 134995773 1 FNC14H20 ABC14D20 -49.67 2.1 -9.02 0.19 0
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389891 134995791 1 AgCSH3 ABCD3 36.45 3.81 -8.55 -2.62 0
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389892 134995797 1 NOC8H15 ABC8D15 -13.23 3.57 -8.79 1.36 0