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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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159694 57288636 1 O4C23H36 A4B23C36 -234.25 6.39 -9.72 0.49 0
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159695 57288637 1 O2N3C10H13 A2B3C10D13 15.08 7.66 -8.61 -1.13 0
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159696 57288638 1 NPSO5C16H16 ABCD5E16F16 -184.62 3.83 -8.8 -0.65 0
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159697 57288639 1 O11C12H24 A11B12C24 -509.58 3.42 -10.27 0.85 0
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159698 57288640 1 N2O5C15H16 A2B5C15D16 -155.01 4.51 -10.37 -0.56 0
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159699 57288641 1 NO2C14H19 AB2C14D19 -78.06 4.36 -9.43 0.18 0
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159700 57288642 1 OSC22H22 ABC22D22 34.04 2.46 -8.82 0.06 0
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159701 57288643 2 NSO3C15H28 ABC3D15E28 -305.3 7.69 -8.86 -0.7 0
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159702 57288644 1 ON2C23H28 AB2C23D28 31.59 4.95 -8.0 0.2 0
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159703 57288645 1 O2N3C24H39 A2B3C24D39 -114.04 3.32 -8.96 -0.23 0
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159704 57288646 2 FO2H11C12 AB2C11D12 -202.46 2.28 -9.44 0.03 0
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159705 57288647 1 SO4N6C26H28 AB4C6D26E28 28.54 8.89 -8.69 -1.93 0
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159706 57288649 1 ON3C24H33 AB3C24D33 -22.68 4.32 -8.59 -0.09 0
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159707 57288650 2 SC6H13 AB6C13 -56.51 2.37 -9.0 0.48 0
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159709 57288652 1 ON4H20C21 AB4C20D21 52.07 4.66 -8.06 -1.11 0
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159710 57288653 1 NO5H13C17 AB5C13D17 -69.25 4.86 -8.62 -1.33 0
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159711 57288654 1 OC18H22 AB18C22 -30.58 1.1 -8.79 -0.41 0
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159712 57288655 1 O9C23H28 A9B23C28 -364.92 4.16 -9.41 -0.66 0
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159713 57288657 1 NSO4C21H25 ABC4D21E25 -135.66 6.71 -8.58 -0.21 0
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159714 57288658 1 O7H18C21 A7B18C21 -190.9 5.96 -9.11 -1.18 0
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159715 57288660 1 OC22H22 AB22C22 25.73 1.55 -8.64 0.28 0
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159716 57288661 1 O2N3H23C25 A2B3C23D25 12.49 4.76 -8.11 -0.85 0
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159717 57288662 2 O2C12H19 A2B12C19 -210.05 7.55 -9.95 0.6 0
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159718 57288663 1 BrO3C13H17 AB3C13D17 -126.65 3.73 -9.16 -0.27 0
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159719 57288664 1 SN3O4C23H31 AB3C4D23E31 -105.34 7.32 -9.17 -0.52 0
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159720 57288665 1 NOC8H13 ABC8D13 -27.92 1.7 -8.91 0.26 0
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159721 57288666 1 FC25H37 AB25C37 -85.41 1.9 -9.11 0.23 0
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159722 57288667 1 ClNO3C19H28 ABC3D19E28 -175.81 9.09 -10.08 0.24 0
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159723 57288668 1 O2C11H22 A2B11C22 -114.44 2.13 -9.13 1.09 0
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159724 57288669 1 O3N4C23H30 A3B4C23D30 -9.75 5.1 -8.49 0.03 0
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159725 57288670 1 N3O3C11H17 A3B3C11D17 -63.17 2.92 -9.72 -0.92 0
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159726 57288671 2 NO3C14H16 AB3C14D16 -217.06 6.02 -8.87 -0.48 0
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159727 57288672 1 Cl2N3O8H21C23 A2B3C8D21E23 -98.85 5.9 -9.59 -1.95 0
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159728 57288674 2 C13H21 A13B21 -65.3 0.51 -8.72 0.67 0
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159729 57288675 1 F3N3O5H16C18 A3B3C5D16E18 -212.17 8.0 -8.96 -0.8 0
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159730 57288676 1 SO3N5C11H13 AB3C5D11E13 -38.13 1.55 -9.01 -2.08 0
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159731 57288677 1 PO3C43H63 AB3C43D63 -187.42 3.23 -8.18 -0.12 0
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159732 57288679 1 O2N3H17C19 A2B3C17D19 -17.93 4.72 -8.72 -1.06 0
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159733 57288680 1 ClFIN2O2H13C18 ABCD2E2F13G18 -68.54 5.12 -9.32 -1.72 0
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159734 57288681 1 FN2O3C21H25 AB2C3D21E25 -162.79 3.18 -9.47 -0.18 0
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159735 57288682 1 NOC13H13 ABC13D13 12.01 4.25 -8.89 0.01 0
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159736 57288683 1 ClON3H16C18 ABC3D16E18 43.06 7.74 -9.74 -0.77 0
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159737 57288684 1 O2N3C31H33 A2B3C31D33 -9.39 3.57 -9.26 -0.72 0
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159738 57288685 1 N2O3C11H20 A2B3C11D20 -156.38 6.98 -9.93 0.44 0
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159739 57288686 1 FN2S2O3H11C15 AB2C2D3E11F15 -89.88 2.67 -9.19 -1.15 0
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159740 57288687 2 OC6H10 AB6C10 -93.71 2.23 -9.49 0.81 0
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159741 57288689 1 N3O11C53H79 A3B11C53D79 -466.84 9.12 -7.65 -0.8 0
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159742 57288691 1 NC43H81 AB43C81 -148.4 0.88 -8.73 0.36 0
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159743 57288692 1 BrCl2F3O4H12C17 AB2C3D4E12F17 -290.75 3.52 -9.62 -1.62 0
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159744 57288693 1 ClSN2O6C17H23 ABC2D6E17F23 -249.92 6.35 -9.87 -1.03 0
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159745 57288696 1 O4N5C11H21 A4B5C11D21 -184.98 13.09 -9.69 0.56 0
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159746 57288697 1 IOSiC14H27 ABCD14E27 -85.97 1.22 -8.79 -0.86 0
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159747 57288698 1 OS2N5C17H17 AB2C5D17E17 68.72 9.4 -8.25 -0.68 0
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159748 57288699 1 O2C27H46 A2B27C46 -162.42 3.96 -9.26 1.21 0
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159749 57288700 1 ON5C9H9 AB5C9D9 27.73 7.3 -9.03 -0.27 1
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159750 57288702 1 PN2O4C17H20 AB2C4D17E20 -140.86 8.26 0.0 0.0 1
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159751 57288709 1 NO5C13H22 AB5C13D22 -215.73 5.97 0.0 0.0 0
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159752 57288711 2 O3C13H21 A3B13C21 -287.0 2.72 -8.82 -0.33 0
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159753 57288712 1 ClO2S2N4H17C20 AB2C2D4E17F20 16.37 9.41 -8.31 -1.38 0
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159754 57288713 1 N2O5C16H16 A2B5C16D16 -21.22 2.98 -9.32 -0.71 0
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159755 57288714 1 NCl2O5C21H23 AB2C5D21E23 -232.81 2.82 -9.0 -0.51 0
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159756 57288715 1 N2O5C19H22 A2B5C19D22 -187.55 3.13 -8.78 -0.09 0
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159757 57288716 1 N2O2C13H18 A2B2C13D18 -50.79 2.19 -8.79 0.07 0
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159758 57288719 2 OC7H13 AB7C13 -100.44 1.69 -9.23 0.92 1
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159759 57288720 1 PO3C24H34 AB3C24D34 -155.93 3.53 0.0 0.0 0
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159760 57288721 1 ClNO3H16C18 ABC3D16E18 -88.94 1.95 -8.99 -1.11 0
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159761 57288722 1 N2O4C21H28 A2B4C21D28 -137.83 4.38 -9.34 -0.77 0
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159762 57288724 1 NO2F3C22H22 AB2C3D22E22 -191.21 3.28 -9.61 -0.75 0
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159763 57288725 1 O3C15H16 A3B15C16 -48.6 2.9 -9.4 -0.35 0
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159764 57288726 1 OF4C23H34 AB4C23D34 -288.8 2.3 -9.51 -0.19 0
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159765 57288727 2 NOH9C11 ABC9D11 17.9 3.07 -8.85 -0.42 0
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159766 57288728 1 O4C21H40 A4B21C40 -278.69 1.93 -10.48 0.58 3
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159767 57288729 3 NPO2H5C8F14 ABC2D5E8F14 -2503.84 3.31 0.0 0.0 1
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159768 57288730 1 PF3O3H25C26 AB3C3D25E26 -238.68 9.82 0.0 0.0 0
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159769 57288731 1 NOC21H27 ABC21D27 8.99 1.91 -8.52 0.04 0
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159770 57288732 2 NOH17C19 ABC17D19 95.88 1.81 -8.99 -0.86 0
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159771 57288733 1 O3C15H28 A3B15C28 -178.92 3.18 -10.1 0.19 0
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159772 57288734 1 NS2O4C21H21 AB2C4D21E21 -84.63 4.18 -9.21 -0.86 0
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159773 57288735 1 N2C5H8 A2B5C8 38.17 2.19 -9.49 0.59 0
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159774 57288736 1 NC2S2O3H5 AB2C2D3E5 -114.03 3.81 -9.43 -1.24 0
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159775 57288737 4 OC5H9 AB5C9 -196.78 2.63 -9.48 0.29 0
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159776 57288738 1 ClSO2N3H20C24 ABC2D3E20F24 12.3 4.34 -8.49 -1.12 0
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159777 57288739 2 OC5H5 AB5C5 -52.03 3.13 -9.7 -0.79 0
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159778 57288740 1 BrNOC12H18 ABCD12E18 -47.13 1.72 -8.11 -0.09 0
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159779 57288741 1 NO2C16H17 AB2C16D17 -60.92 5.14 -8.83 -0.41 0
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159780 57288742 1 SN3O6C16H27 AB3C6D16E27 -236.49 9.04 -7.95 -0.64 0
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159781 57288743 1 ON2C6H14 AB2C6D14 -38.28 3.18 -9.3 0.56 0
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159782 57288744 1 IF3O4C23H36 AB3C4D23E36 -375.19 2.59 -9.58 -0.85 0
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159783 57288745 1 NC14H29 AB14C29 -56.95 1.57 -8.45 2.98 0
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159784 57288746 1 O4C19H24 A4B19C24 -157.59 4.19 -8.81 0.07 0
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159785 57288747 1 O5H10C13 A5B10C13 -170.63 7.13 -9.9 -1.61 0
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159786 57288748 1 ON2H14C18 AB2C14D18 45.55 3.78 -8.61 -0.81 0
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159787 57288749 1 SiO11C17H28 AB11C17D28 -562.49 3.59 -9.9 0.43 0
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159788 57288750 1 OSN3C19H19 ABC3D19E19 35.72 1.52 -8.07 -1.09 0
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159789 57288752 1 SSiN2O4C22H34 ABC2D4E22F34 -201.44 5.6 -9.18 -1.27 0
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159790 57288753 2 IH2O2C4 AB2C2D4 -2.86 2.54 -10.15 -1.23 0
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159791 57288754 1 N4O5C12H12 A4B5C12D12 -111.57 2.06 -9.58 -1.3 0
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159792 57288755 1 N3O5C15H29 A3B5C15D29 -225.92 3.97 -9.44 -0.18 0
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159793 57288756 1 ClNF3O5H13C17 ABC3D5E13F17 -232.01 3.81 -9.76 -1.43 0
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159794 57288757 1 NSF3O3H10C11 ABC3D3E10F11 -242.46 3.36 -9.12 -1.08 0