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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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21748 589749 1 SO2N4C18H18 AB2C4D18E18 9.9 6.32 -8.85 -0.58 0
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21749 589752 1 BrON3C16H16 ABC3D16E16 46.0 6.06 -8.2 -0.75 0
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21750 589755 1 ON2C11H12 AB2C11D12 -20.98 2.99 -8.82 -0.34 0
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21751 589769 1 N2O2C11H12 A2B2C11D12 -25.38 1.36 -8.8 -0.42 0
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21752 589772 1 NC10H13 AB10C13 42.05 2.45 -9.39 0.4 0
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21753 589776 1 O4C19H28 A4B19C28 -202.13 2.72 -8.99 0.35 0
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21754 589778 1 SN3C16H17 AB3C16D17 82.34 4.7 -8.32 -0.3 0
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21755 589782 1 N3C8H9 A3B8C9 47.27 2.95 -8.88 -0.45 0
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21756 589783 1 NOC14H21 ABC14D21 -49.51 2.72 -8.7 0.37 0
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21757 589784 1 OC14H18 AB14C18 -45.78 3.44 -9.59 -0.37 0
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21758 589785 1 BOC21H29 ABC21D29 -101.75 1.9 -8.69 0.59 0
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21759 589791 1 BrH3C4N6 AB3C4D6 146.51 3.93 -9.75 -1.32 0
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21760 589801 1 NOC12H15 ABC12D15 -17.02 1.35 -8.99 -0.15 0
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21761 589802 1 NO2C11H11 AB2C11D11 -50.43 6.05 -9.25 -1.38 0
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21762 589803 1 NO6C30H39 AB6C30D39 -244.04 8.49 -8.54 0.01 0
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21763 589805 1 NO3H9C10 AB3C9D10 -87.98 1.64 -9.73 -1.12 0
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21764 589806 1 NO3H9C10 AB3C9D10 -85.69 3.96 -9.6 -0.99 0
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21765 589820 1 ClN2O2C6H7 AB2C2D6E7 -53.56 8.44 -9.8 -0.53 0
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21766 589821 1 OCl2H4C7 AB2C4D7 136.1 3.82 -9.08 -1.59 0
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21767 589843 1 N3O3C11H11 A3B3C11D11 -52.15 1.07 -9.41 -0.65 0
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21768 589859 1 NO5C15H15 AB5C15D15 -185.5 1.03 -8.85 -0.66 0
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21769 589860 1 N2O4C11H12 A2B4C11D12 -159.16 6.77 -9.86 -1.22 0
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21770 589864 1 NH3F6C7 AB3C6D7 -282.53 5.22 -11.4 -1.64 0
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21771 589865 1 NH3F6C7 AB3C6D7 -280.16 5.35 -11.38 -1.69 0
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21772 589866 1 O2N5C12H13 A2B5C12D13 -3.19 4.24 -9.36 -1.18 0
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21773 589867 1 NOF3H8C10 ABC3D8E10 -158.83 7.67 -9.71 -0.65 0
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21774 589868 1 Si3O6C17H40 A3B6C17D40 -428.58 3.08 -9.37 1.09 0
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21775 589869 2 NOC7H9 ABC7D9 -62.34 4.85 -9.63 0.06 0
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21776 589870 2 NOC6H7 ABC6D7 -5.16 1.48 -9.2 -0.38 0
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21777 589872 1 SN2O2Cl3C6H7 AB2C2D3E6F7 -76.48 3.43 -9.58 -1.1 0
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21778 589886 1 O3C18H20 A3B18C20 -122.73 4.33 -8.9 0.17 0
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21779 589896 1 ON3C17H19 AB3C17D19 30.72 2.33 -7.98 -0.33 0
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21780 589902 2 NF3H3C6 AB3C3D6 -254.13 3.31 -10.31 -1.8 0
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21781 589903 2 NF3H3C6 AB3C3D6 -255.45 0.16 -10.42 -1.93 0
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21782 589904 1 O3N4H12C15 A3B4C12D15 35.73 6.65 -9.32 -1.44 0
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21783 589909 1 Cl2N3H6F7C15 A2B3C6D7E15 -275.12 8.3 -9.43 -1.73 0
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21784 589910 1 ClNO3H16C17 ABC3D16E17 -87.5 3.68 -8.83 -0.41 0
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21785 589913 1 N3O4C19H21 A3B4C19D21 -62.3 7.13 -9.27 -1.44 0
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21786 589920 1 O4F7C25H29 A4B7C25D29 -538.94 2.49 -9.2 -0.69 0
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21787 589971 1 O2C13H16 A2B13C16 -72.47 0.48 -9.96 -0.69 0
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21788 590083 1 SC17H22 AB17C22 -1.21 1.39 -8.74 0.16 0
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21789 590084 1 ON4C14H14 AB4C14D14 68.51 3.32 -8.69 -0.85 0
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21790 590110 1 OSi2C16H34 AB2C16D34 -168.31 1.45 -9.02 1.6 0
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21791 590112 1 ClO2C31H53 AB2C31D53 -213.38 4.27 -10.02 0.86 0
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21792 590114 1 N3O4C17H21 A3B4C17D21 -147.23 5.11 -9.51 -1.03 0
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21793 590115 1 Si3C5H18 A3B5C18 -69.57 1.73 -9.49 0.79 0
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21794 590187 1 ClSN2C18H19 ABC2D18E19 38.97 3.77 -8.65 -0.58 0
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21795 590352 1 OC11H16 AB11C16 -3.92 1.86 -9.42 0.92 -2
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21796 590363 1 NCl3O4H8C15 AB3C4D8E15 -51.06 3.65 -9.94 -2.05 0
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21797 590464 1 NSO5H11C15 ABC5D11E15 -131.82 8.03 -9.5 -0.99 0
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21798 590564 1 NSeO2C19H19 ABC2D19E19 -34.32 2.37 -8.4 -1.33 0
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21799 590565 3 C5H8 A5B8 2.3 0.96 -9.48 1.45 0
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21800 590655 1 NO2C11H13 AB2C11D13 -34.55 5.54 -8.53 -0.02 0
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21801 590657 1 NOC17H21 ABC17D21 -8.63 2.33 -8.87 0.19 0
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21802 590910 1 OC12H20 AB12C20 -88.61 2.18 -10.02 2.81 0
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21803 591025 1 NO3H15C21 AB3C15D21 -31.98 3.05 -8.61 -0.93 0
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21804 591038 3 FOH3C5 ABC3D5 -222.4 6.76 -10.57 -1.36 0
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21805 591079 1 O3N5H13C14 A3B5C13D14 -36.17 3.06 -9.03 -0.48 0
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21806 591080 2 N2O3H5C7 A2B3C5D7 6.22 8.5 -9.15 -1.97 0
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21807 591102 1 O4N5C16H25 A4B5C16D25 -146.5 1.44 -9.01 -0.46 0
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21808 591372 1 NO4C13H17 AB4C13D17 -91.97 4.88 -10.86 -1.88 0
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21809 591400 1 CoOC15H21 ABC15D21 -0.14 15.91 -10.46 -5.95 -9
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21810 591403 1 OSN2H12C15 ABC2D12E15 27.04 3.02 -9.22 -0.9 0
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21811 591409 2 NO3H7C8 AB3C7D8 -119.61 5.94 -9.48 -1.86 0
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21812 591464 2 N3O3H10C15 A3B3C10D15 55.75 7.01 -9.14 -1.96 0
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21813 591481 1 O2C17H26 A2B17C26 -114.88 1.64 -9.51 0.25 0
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21814 591493 1 NO4C15H21 AB4C15D21 -103.83 5.32 -10.82 -1.86 0
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21815 591518 1 N2O3C21H24 A2B3C21D24 -95.12 3.08 -8.38 -0.02 0
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21816 591536 2 ClNC2H2 ABC2D2 23.96 5.43 -9.18 0.04 0
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21817 591541 2 ClH7C9 AB7C9 65.2 0.68 -9.22 0.2 0
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21818 591594 1 O3C11H14 A3B11C14 -114.99 7.68 -10.01 -0.42 0
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21819 591695 1 NO4C11H13 AB4C11D13 -83.55 5.14 -10.81 -1.86 0
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21820 591696 2 NO4H9C12 AB4C9D12 -55.15 7.13 -10.22 -2.04 0
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21821 591698 1 OSN2H18C22 ABC2D18E22 54.47 4.35 -8.99 -0.62 0
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21822 591702 1 OCl2N5H11C13 AB2C5D11E13 9.73 3.41 -9.08 -0.85 0
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21823 591714 1 ON5C14H23 AB5C14D23 -35.34 2.93 -8.97 -0.09 0
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21824 591726 1 NOSC9H9 ABCD9E9 -1.81 7.52 -7.93 -0.99 0
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21825 591728 1 N3O6C11H11 A3B6C11D11 -148.65 7.04 -10.54 -2.0 0
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21826 591731 1 NOSC9H11 ABCD9E11 -1.39 4.17 -8.58 -0.12 0
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21827 591733 1 O3N5C16H21 A3B5C16D21 -45.26 2.07 -8.56 0.04 0
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21828 591743 1 NOSH9C10 ABCD9E10 5.42 1.74 -8.62 -0.59 0
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21829 591744 1 SN2C10H12 AB2C10D12 30.05 3.96 -8.58 -0.34 0
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21830 591745 1 OSN2H8C9 ABC2D8E9 1.52 2.43 -8.6 -0.87 0
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21831 591746 1 SN2O3C14H16 AB2C3D14E16 -100.74 4.2 -8.9 -0.67 0
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21832 591752 1 NSO4C12H17 ABC4D12E17 -161.9 5.13 -9.39 -0.8 0
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21833 591759 1 N3O6C34H47 A3B6C34D47 -128.08 6.74 -8.4 -2.24 0
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21834 591774 1 NOC15H25 ABC15D25 -41.67 4.37 -9.19 0.44 0
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21835 591813 1 NOC17H23 ABC17D23 -45.76 1.82 -8.62 0.37 0
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21836 591815 1 OC19H30 AB19C30 -45.2 2.09 -9.62 1.21 0
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21837 591819 1 N2O2C15H22 A2B2C15D22 -28.36 9.62 -8.28 -0.8 0
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21838 591837 1 O5C15H22 A5B15C22 -188.25 4.37 -8.77 -0.01 0
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21839 591858 1 SN2O3C16H18 AB2C3D16E18 -72.49 5.02 -9.12 -0.96 0
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21840 591917 1 BNC9H18 ABC9D18 -61.04 1.75 -9.1 1.84 0
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21841 591937 1 SiO3C12H18 AB3C12D18 -166.14 1.8 -8.96 0.19 0
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21842 591978 1 ClO7C34H49 AB7C34D49 -332.4 2.8 -9.38 -0.21 0
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21843 591985 1 PO2C16H33 AB2C16D33 -199.3 3.26 -9.57 1.54 0
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21844 592178 2 NOC7H11 ABC7D11 -114.69 5.61 -9.34 0.1 0
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21845 592179 1 IO4C10H11 AB4C10D11 -144.52 5.86 -10.02 -1.29 0
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21846 592197 1 SN2O2C10H11 AB2C2D10E11 -15.68 6.74 0.0 0.0 1
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21847 592209 1 NO5C16H23 AB5C16D23 -221.58 5.64 -8.75 0.14 0