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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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79628 49829780 1 NO4C24H34 AB4C24D34 -142.35 3.71 0.0 0.0 0
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79629 49829781 1 NO4C24H33 AB4C24D33 -165.63 5.32 -9.07 -0.17 1
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79630 49829785 1 NO5C23H36 AB5C23D36 -208.51 5.65 0.0 0.0 0
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79631 49829786 1 NO5C23H35 AB5C23D35 -226.56 6.87 -9.06 0.88 1
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79632 49829792 1 O3N4C23H31 A3B4C23D31 -94.81 6.86 0.0 0.0 0
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79633 49829794 1 SN3O4C21H23 AB3C4D21E23 -102.58 4.51 -9.26 -1.49 0
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79634 49829796 1 N2O7C20H24 A2B7C20D24 -194.29 8.67 -9.37 -1.48 1
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79635 49829798 1 OSN6C21H23 ABC6D21E23 99.05 13.44 0.0 0.0 1
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79636 49829800 1 ClO2N3C23H23 AB2C3D23E23 -13.37 4.08 0.0 0.0 0
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79637 49829804 1 ClSN2O4H19C20 ABC2D4E19F20 -111.94 4.58 -9.1 -1.0 0
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79638 49829806 1 SN3O5C19H25 AB3C5D19E25 -212.07 6.05 -9.27 -0.57 0
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79639 49829811 1 N3O4C24H25 A3B4C24D25 -102.8 5.87 -8.95 -0.98 0
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79640 49829817 1 NSO5H17C23 ABC5D17E23 -98.89 3.97 -8.84 -1.35 0
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79641 49829821 1 FOS2N4H17C20 ABC2D4E17F20 27.66 1.83 -9.07 -1.15 0
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79642 49829824 1 N3O5C21H27 A3B5C21D27 -67.92 3.75 -9.04 -1.1 1
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79643 49829826 1 BrN2O3C19H22 AB2C3D19E22 -49.25 4.46 0.0 0.0 0
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79644 49829827 1 BrN2O3C19H21 AB2C3D19E21 -66.79 3.28 -8.85 -0.18 1
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79645 49829828 1 SO2N3C24H28 AB2C3D24E28 6.95 8.36 0.0 0.0 0
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79646 49829831 1 NO3C26H39 AB3C26D39 -171.75 3.93 -9.02 0.75 0
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79647 49829834 1 N3O3C25H29 A3B3C25D29 -73.08 5.44 -9.12 -0.41 1
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79648 49829842 1 ClSO2N4C19H22 ABC2D4E19F22 -14.34 16.59 0.0 0.0 0
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79649 49829845 1 NO6C22H27 AB6C22D27 -216.19 10.04 -8.2 -0.81 -1
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79650 49829846 1 NF3O4H19C21 AB3C4D19E21 -230.66 21.09 0.0 0.0 2
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79651 49829851 1 SN5H23C24 AB5C23D24 146.95 3.04 -6.59 -0.93 0
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79652 49829853 1 ClFN2O5H18C19 ABC2D5E18F19 -125.97 8.83 -8.81 -1.46 0
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79653 49829855 1 SF2N2O3H16C21 AB2C2D3E16F21 -95.73 9.02 -8.4 -1.38 0
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79654 49829857 2 N2O3H8C10 A2B3C8D10 -43.23 4.12 -9.6 -1.82 0
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79655 49829863 1 ClSO2N5H18C19 ABC2D5E18F19 35.43 8.73 -8.72 -1.22 0
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79656 49829868 1 OSN5C22H23 ABC5D22E23 76.38 5.21 -8.62 -0.59 1
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79657 49829876 1 N3O4C23H38 A3B4C23D38 -158.79 6.37 0.0 0.0 1
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79658 49829880 1 O4N5C21H34 A4B5C21D34 -140.59 2.94 0.0 0.0 1
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79659 49829885 1 SO3N5C19H24 AB3C5D19E24 -36.69 6.26 0.0 0.0 0
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79660 49829887 1 IN3O4C14H16 AB3C4D14E16 -121.03 6.93 -8.68 -0.71 0
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79661 49829888 1 ClN2S2O5C15H19 AB2C2D5E15F19 -161.65 3.24 -9.3 -1.34 0
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79662 49829898 1 BrN4O6C13H17 AB4C6D13E17 -256.53 8.34 -9.78 -0.96 0
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79663 49829899 1 BrNO3C21H22 ABC3D21E22 -105.8 4.4 -9.32 -0.67 0
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79664 49829903 1 SN2O2C24H36 AB2C2D24E36 -98.06 2.76 -8.14 0.58 0
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79665 49829906 1 ClNO5H20C21 ABC5D20E21 -150.99 3.63 -9.04 -0.42 0
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79666 49829908 1 FO2S2N4C19H19 AB2C2D4E19F19 -44.71 3.65 -8.82 -1.39 0
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79667 49829911 1 SN2O3C22H28 AB2C3D22E28 -90.84 7.79 -9.47 -0.08 0
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79668 49829912 1 OSF3N4H15C20 ABC3D4E15F20 -107.86 3.77 -9.29 -1.31 1
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79669 49829924 1 SN3O3C22H32 AB3C3D22E32 -71.99 7.01 0.0 0.0 0
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79670 49829925 1 SN3O3C22H31 AB3C3D22E31 -95.28 8.03 -9.31 -0.59 0
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79671 49829926 1 FN2S2O3C20H23 AB2C2D3E20F23 -133.05 5.24 -8.4 -1.34 1
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79672 49829929 1 ClO2N3C22H33 AB2C3D22E33 -88.74 2.96 0.0 0.0 0
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79673 49829931 1 SN3O5C19H19 AB3C5D19E19 -146.2 5.21 -8.42 -0.44 0
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79674 49829932 1 O4N5H19C21 A4B5C19D21 -9.11 15.16 -9.46 -1.19 -1
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79675 49829936 1 N3O3C25H28 A3B3C25D28 -47.63 9.82 0.0 0.0 0
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79676 49829939 1 Cl2O2N3C20H21 A2B2C3D20E21 1.75 4.43 -8.35 -0.67 0
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79677 49829941 1 SN2O3C24H24 AB2C3D24E24 -53.75 2.77 -8.68 -1.11 0
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79678 49829944 2 NO2C12H12 AB2C12D12 -119.45 6.46 -8.31 -1.31 0
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79679 49829947 1 ClO3N4C20H23 AB3C4D20E23 -44.9 17.94 -8.43 -0.37 0
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79680 49829950 1 SN2O4C22H22 AB2C4D22E22 -100.02 1.8 -8.69 -1.11 1
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79681 49829958 1 N2O2C27H35 A2B2C27D35 -6.69 5.82 0.0 0.0 0
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79682 49829965 1 FN4O4H19C22 AB4C4D19E22 -158.6 3.63 -9.38 -0.96 0
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79683 49829969 1 N2O3H22C26 A2B3C22D26 28.72 5.35 -8.97 -0.69 1
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79684 49829971 1 BrO2N4C18H20 AB2C4D18E20 -16.27 9.83 0.0 0.0 1
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79685 49829978 1 N4O5C20H29 A4B5C20D29 -141.4 4.91 0.0 0.0 0
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79686 49829980 1 SN2O4H20C22 AB2C4D20E22 -72.45 2.78 -8.54 -1.13 0
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79687 49829982 1 ClN2O5C21H23 AB2C5D21E23 -153.65 7.62 -8.53 -0.81 0
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79688 49829988 1 NO6C23H35 AB6C23D35 -260.21 4.98 -7.98 0.0 1
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79689 49829990 1 NS2O5C19H30 AB2C5D19E30 -198.45 6.77 0.0 0.0 -1
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79690 49829994 1 SN3O5H16C20 AB3C5D16E20 -56.6 4.23 0.0 0.0 0
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79691 49829999 1 SN2O5C20H28 AB2C5D20E28 -198.63 4.59 -9.61 -1.3 0
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79692 49830000 1 FN3O3C23H24 AB3C3D23E24 -100.93 2.4 -9.29 -0.51 2
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79693 49830008 1 N7C23H27 A7B23C27 164.51 9.59 -6.33 -1.05 1
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79694 49830009 1 N7C23H26 A7B23C26 125.74 1.5 0.0 0.0 1
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79695 49830010 1 N3O5C21H26 A3B5C21D26 -139.01 8.89 0.0 0.0 0
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79696 49830012 1 ClSN2O3C21H23 ABC2D3E21F23 -90.84 4.65 -8.5 -1.09 0
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79697 49830013 1 O3N6C21H26 A3B6C21D26 -61.98 7.16 -8.34 -0.42 -1
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79698 49830017 1 O4N7C19H22 A4B7C19D22 11.98 14.61 0.0 0.0 1
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79699 49830024 1 BrN2O2C21H26 AB2C2D21E26 -13.41 13.0 0.0 0.0 1
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79700 49830025 1 ON5C24H32 AB5C24D32 4.84 3.12 0.0 0.0 0
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79701 49830029 1 SO3N4C20H26 AB3C4D20E26 -97.16 5.91 -8.82 -0.59 2
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79702 49830030 1 O2N3C25H31 A2B3C25D31 68.11 21.76 -4.32 -1.64 0