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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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401799 135052644 1 NSC4O4H5 ABC4D4E5 -69.51 5.4 -10.53 -0.93 0
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401800 135052661 1 BrSeN2C6H7 ABC2D6E7 57.26 5.64 -7.75 -0.84 0
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401801 135052663 1 NPCl4H24C33 ABC4D24E33 97.55 3.63 -9.36 -0.73 0
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401802 135052672 1 FS4O7C8H9 AB4C7D8E9 -300.21 2.82 -9.21 -1.58 0
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401803 135052677 1 BrSN2O3C14H19 ABC2D3E14F19 -77.52 8.89 -7.72 -1.32 0
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401804 135052678 1 NaSO2N3C18H20 ABC2D3E18F20 -32.34 5.85 -7.45 0.06 0
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401805 135052683 1 SN2O2C16H22 AB2C2D16E22 -42.88 5.65 -8.95 -0.42 0
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401806 135052687 1 BrClPN2O2H29C32 ABCD2E2F29G32 42.15 3.44 -8.93 -0.52 0
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401807 135052689 1 SN3C11H13 AB3C11D13 74.39 3.88 -8.8 -0.63 0
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401808 135052702 1 NO3C7H13 AB3C7D13 -115.14 2.23 -9.82 -0.04 0
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401809 135052703 1 NO2S2C17H17 AB2C2D17E17 -10.54 9.54 -8.58 -1.59 0
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401810 135052706 1 N3O6H9C14 A3B6C9D14 18.61 5.03 -10.24 -2.19 0
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401811 135052728 1 N3O6C15H17 A3B6C15D17 -109.82 4.88 -9.99 -1.96 0
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401812 135052729 1 PSN2O5C19H25 ABC2D5E19F25 -216.75 8.43 -8.88 -0.24 0
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401813 135052734 1 O3H16C17 A3B16C17 -52.69 3.25 -8.92 -0.24 0
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401814 135052736 1 NaSO2N3C18H20 ABC2D3E18F20 42.13 13.93 -6.64 -1.63 0
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401815 135052751 1 N4O4C13H18 A4B4C13D18 33.15 7.75 -9.98 -1.74 0
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401816 135052754 2 NOC9H9 ABC9D9 37.71 5.56 -8.89 -0.78 0
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401817 135052756 2 ClNO2C5H5 ABC2D5E5 -117.81 7.61 -8.72 -1.68 0
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401818 135052761 1 N3O8C10H11 A3B8C10D11 -88.62 4.23 -10.24 -2.46 0
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401819 135052764 1 N2O2H20C21 A2B2C20D21 38.91 4.12 -9.18 -0.53 1
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401820 135052770 1 ON2C5H7 AB2C5D7 26.18 2.82 0.0 0.0 0
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401821 135052776 1 ClNOS2H8C11 ABCD2E8F11 44.47 4.2 -9.42 -1.73 0
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401822 135052777 1 ClON4H7C9 ABC4D7E9 80.9 3.94 -9.77 -1.34 0
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401823 135052780 2 NO2C5H6 AB2C5D6 -100.97 6.07 -8.65 -1.34 0
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401824 135052800 1 BrPN2O2H30C32 ABC2D2E30F32 55.03 2.18 -8.88 -0.59 0
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401825 135052803 1 N2H16C17 A2B16C17 97.51 3.29 -9.04 -0.76 0
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401826 135052805 1 NaSN2O2C17H17 ABC2D2E17F17 -29.77 3.11 -7.69 -0.09 0
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401827 135052814 1 BrSN2O4C15H21 ABC2D4E15F21 -111.52 7.91 -7.89 -0.88 0
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401828 135052815 1 LiO5C13H13 AB5C13D13 -212.22 3.85 -8.82 -0.25 0
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401829 135052826 1 ON2H16C18 AB2C16D18 75.55 1.07 -9.21 -0.72 0
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401830 135052829 1 N3O3C11H13 A3B3C11D13 -4.41 8.83 -9.16 -1.48 0
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401831 135052837 2 NOH12C14 ABC12D14 49.27 5.08 -8.26 -0.84 0
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401832 135052847 1 NCl2O2H13C16 AB2C2D13E16 -36.76 3.42 -9.15 -0.7 0
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401833 135052853 1 NO5C14H15 AB5C14D15 -111.94 5.85 -10.61 -1.64 0
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401834 135052861 1 SiO4C23H34 AB4C23D34 -153.7 4.21 -9.11 -0.39 0
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401835 135052862 1 NO3H11C17 AB3C11D17 -13.13 7.82 -9.4 -1.23 0
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401836 135052863 1 NO2H23C26 AB2C23D26 -2.0 6.25 -9.01 -0.56 0
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401837 135052865 1 O5C16H20 A5B16C20 -191.19 2.19 -9.11 -0.59 0
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401838 135052869 1 O8H22C23 A8B22C23 -227.17 2.23 -8.8 -0.96 0
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401839 135052873 2 O2H8C9 A2B8C9 -83.78 5.64 -8.69 -1.19 0
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401840 135052874 1 O3H18C20 A3B18C20 -65.35 4.99 -8.91 -1.0 0
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401841 135052876 1 ClNO6H16C18 ABC6D16E18 -107.34 6.08 -8.82 -0.86 0
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401842 135052884 1 O2N3C22H29 A2B3C22D29 -37.68 4.16 -8.18 -0.02 0
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401843 135052906 1 NO3C18H19 AB3C18D19 -76.28 7.83 -8.65 -0.57 0
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401844 135052907 1 TlF6O6H7C12 AB6C6D7E12 -486.82 10.31 -10.91 -2.47 0
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401845 135052930 3 OC4H4 AB4C4 -66.5 6.76 -9.49 -0.65 0
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401846 135052938 1 ClO7H11C16 AB7C11D16 -24.38 6.87 -9.28 -4.07 0
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401847 135052943 1 SO3H14C17 AB3C14D17 -32.47 7.7 -8.44 -1.4 0
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401848 135052947 1 N2C17H22 A2B17C22 63.33 3.92 -8.42 0.17 0
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401849 135052948 1 ON2C19H24 AB2C19D24 23.13 4.41 -8.42 -0.06 0
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401850 135052959 3 OC5H6 AB5C6 -116.25 3.88 -8.78 -0.56 0
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401851 135052960 1 O3C14H14 A3B14C14 -99.31 4.14 -9.08 -0.62 0
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401852 135052962 1 NO3H13C16 AB3C13D16 8.14 4.91 -9.37 -1.01 0
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401853 135052963 1 NCl2O2H7C16 AB2C2D7E16 12.35 6.44 -10.0 -1.76 0
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401854 135052975 1 NO2H19C21 AB2C19D21 -6.04 2.59 -8.38 -0.23 0
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401855 135052982 1 NO5H17C18 AB5C17D18 -69.58 6.22 -8.78 -0.78 0
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401856 135052988 1 O3H14C16 A3B14C16 -79.34 6.48 -8.76 -0.68 0
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401857 135052989 1 NO3C19H21 AB3C19D21 -85.14 7.87 -8.61 -0.53 0
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401858 135052992 1 N3H13C17 A3B13C17 128.69 5.82 -9.3 -0.84 0
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401859 135052999 1 NO5H17C19 AB5C17D19 -74.25 7.35 -10.18 -1.41 0
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401860 135053010 1 NO2H17C18 AB2C17D18 -18.11 3.29 -8.89 -0.44 0
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401861 135053013 1 OSH14C15 ABC14D15 -2.15 2.55 -8.94 -0.08 0
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401862 135053040 1 O2H14C15 A2B14C15 0.12 5.25 -9.37 -0.64 0
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401863 135053068 1 O4H14C15 A4B14C15 -86.94 5.08 -8.79 -0.45 0
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401864 135053078 4 OH3C5 AB3C5 -43.29 2.16 -8.67 -1.46 0
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401865 135053109 1 O5H12C19 A5B12C19 -132.35 4.33 -8.83 -1.28 0
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401866 135053116 1 ClNO2H16C17 ABC2D16E17 -29.0 8.16 -9.05 -0.5 0
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401867 135053118 1 N2O2C25H26 A2B2C25D26 -2.13 6.29 -8.98 -0.41 0
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401868 135053123 1 NO5H15C17 AB5C15D17 -60.07 6.33 -8.79 -1.0 0
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401869 135053131 1 ClNO3H12C16 ABC3D12E16 -1.38 5.21 -9.47 -1.14 0
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401870 135053135 1 NO3C27H27 AB3C27D27 -49.93 5.58 -8.98 -0.56 0
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401871 135053136 1 NO3H27C28 AB3C27D28 -47.05 5.7 -9.0 -0.48 0
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401872 135053138 1 ON2F3C13H15 AB2C3D13E15 -161.78 3.07 -8.96 -0.46 0
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401873 135053139 1 ON2C18H20 AB2C18D20 5.36 3.54 -8.75 -0.37 0