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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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405621 135074681 1 NO2C11H15 AB2C11D15 -36.0 3.4 -9.55 -0.32 0
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405622 135074685 1 PO7C24H33 AB7C24D33 -327.92 5.07 -9.49 0.08 0
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405623 135074725 1 OC16H18 AB16C18 -0.22 2.56 -9.43 0.14 0
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405624 135074727 1 NO4H15C23 AB4C15D23 27.63 4.16 -8.91 -1.84 0
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405625 135074728 2 OH8C9 AB8C9 6.06 5.74 -9.09 -0.99 0
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405626 135074730 1 ON3C16H19 AB3C16D19 72.95 2.76 -9.89 -0.56 0
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405627 135074731 1 N2O4C13H18 A2B4C13D18 -117.68 1.98 -10.16 -1.09 1
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405628 135074732 1 N2O4C13H19 A2B4C13D19 -113.9 7.36 0.0 0.0 0
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405629 135074735 1 NO8C21H25 AB8C21D25 -286.31 3.23 -7.98 -0.12 0
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405630 135074736 1 O9C22H30 A9B22C30 -364.62 3.4 -8.81 -0.14 0
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405631 135074737 1 NF3O6C16H16 AB3C6D16E16 -361.61 5.07 -8.96 -0.55 0
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405632 135074738 1 NO4C19H19 AB4C19D19 -94.31 1.23 -9.86 -0.62 0
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405633 135074739 1 NSO5C18H19 ABC5D18E19 -134.72 4.15 -9.85 -0.68 0
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405634 135074742 1 NC17H17 AB17C17 73.48 1.02 -8.16 0.28 0
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405635 135074743 1 SO2N3H21C25 AB2C3D21E25 84.79 5.75 -9.17 -0.9 0
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405636 135074744 2 SN2O2C11H12 AB2C2D11E12 -23.23 11.3 -9.38 -0.83 0
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405637 135074747 2 O2C10H15 A2B10C15 -168.95 0.66 -9.66 0.53 0
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405638 135074748 4 OC4H6 AB4C6 -165.21 0.86 -10.09 0.43 0
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405639 135074749 1 NO5C21H25 AB5C21D25 -144.88 2.21 -8.64 0.0 0
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405640 135074750 1 O5C18H24 A5B18C24 -203.51 1.95 -9.44 0.31 0
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405641 135074751 1 O5C19H26 A5B19C26 -212.56 3.31 -9.2 0.31 0
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405642 135074753 1 SN2O2C16H20 AB2C2D16E20 -12.57 5.1 -8.42 0.01 0
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405643 135074754 1 SN2O2C13H16 AB2C2D13E16 2.21 7.87 -8.99 -0.59 0
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405644 135074755 1 SN2O2C14H18 AB2C2D14E18 -6.36 5.77 -9.15 -0.41 0
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405645 135074756 1 SN2O2C19H20 AB2C2D19E20 26.19 5.78 -9.17 -0.43 0
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405646 135074757 1 O7H14C15 A7B14C15 -217.96 2.59 -9.18 -0.99 0
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405647 135074758 1 FNO3H16C20 ABC3D16E20 -82.68 3.32 -8.95 -0.62 0
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405648 135074759 1 NO3H19C21 AB3C19D21 -43.32 4.23 -8.91 -0.54 0
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405649 135074760 1 NOC24H25 ABC24D25 86.95 1.56 -8.98 -0.42 0
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405650 135074772 1 NSO4C15H21 ABC4D15E21 -134.65 6.24 -9.55 -0.41 0
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405651 135074856 4 C5H8 A5B8 36.69 1.76 -7.58 0.54 0
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405652 135074859 1 SiO4C24H38 AB4C24D38 -223.09 1.94 -8.97 0.49 0
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405653 135074861 1 N2O5Cl6C26H28 A2B5C6D26E28 -152.02 8.43 -9.12 -0.63 0
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405654 135074862 1 N2O5Cl6C26H28 A2B5C6D26E28 -141.72 1.85 -8.87 -0.87 0
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405655 135074864 1 SO4C27H28 AB4C27D28 -73.52 6.61 -8.49 -0.6 0
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405656 135074866 1 C19H20 A19B20 91.23 0.83 -8.71 0.22 0
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405657 135074867 1 NSO3C15H19 ABC3D15E19 -60.84 3.74 -9.15 -0.4 0
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405658 135074868 1 ClNO2F5H11C22 ABC2D5E11F22 -165.15 3.85 -9.3 -1.82 0
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405659 135074869 1 NSO2H23C25 ABC2D23E25 34.17 5.43 -8.24 -0.56 0
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405660 135074873 1 N2O2C29H30 A2B2C29D30 10.23 1.95 -8.64 -0.57 0
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405662 135074875 1 BrNSiO4C24H36 ABCD4E24F36 -158.89 2.43 -9.48 0.19 0
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405663 135074876 1 BrSiO2C20H29 ABC2D20E29 -50.46 2.69 -9.46 0.2 0
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405664 135074877 1 O2N3C21H27 A2B3C21D27 35.02 3.12 -8.97 -0.08 0
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405665 135074878 1 FNOH18C21 ABCD18E21 36.95 3.63 -8.56 -0.2 0
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405666 135074881 1 N2O3C23H26 A2B3C23D26 -57.18 1.64 -8.46 -0.05 0
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405667 135074882 1 NO7C20H23 AB7C20D23 -247.29 2.6 -8.45 -0.11 0
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405668 135074883 1 N2O3C25H28 A2B3C25D28 -36.31 2.22 -8.36 -0.06 0
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405669 135074884 1 O8C21H28 A8B21C28 -322.03 2.61 -8.72 -0.06 0
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405670 135074885 7 OC3H4 AB3C4 -291.67 1.62 -9.04 -0.09 0
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405671 135074886 1 NF3O4C15H16 AB3C4D15E16 -293.3 4.28 -9.63 -0.27 0
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405672 135074916 1 BrClOSH10C13 ABCDE10F13 15.78 3.93 -8.67 -0.73 1
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405673 135074930 1 N2O4C19H21 A2B4C19D21 -50.72 4.58 0.0 0.0 0
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405674 135074940 1 NSF2O3H17C22 ABC2D3E17F22 -139.32 5.69 -9.7 -0.73 0
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405675 135074948 1 OSiC19H26 ABC19D26 -73.65 1.67 -8.5 0.41 0
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405676 135074962 1 NO3C14H15 AB3C14D15 -53.74 4.17 -9.38 0.27 0
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405677 135074972 1 O3C22H22 A3B22C22 -40.85 3.15 -9.45 -0.46 0
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405678 135074992 2 NO3H8C9 AB3C8D9 -108.59 4.35 -9.2 -1.75 0
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405679 135074993 1 ClNO4H16C18 ABC4D16E18 -114.84 2.85 -8.95 -0.79 0
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405680 135074994 1 SN3O6C22H27 AB3C6D22E27 -155.69 6.12 -9.95 -0.87 0
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405681 135074995 1 O4H20C23 A4B20C23 -27.2 6.3 -9.28 -0.85 0
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405682 135074996 1 O5H22C23 A5B22C23 -105.43 3.98 -8.76 -0.34 0
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405683 135074997 1 NOH19C21 ABC19D21 86.03 3.76 -8.31 -0.08 0
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405684 135074998 1 ClN2O3H27C28 AB2C3D27E28 -34.79 2.92 -8.43 -0.1 0
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405685 135074999 4 OC3H3 AB3C3 -153.87 5.14 -10.26 -0.53 0
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405686 135075000 1 IOC17H23 ABC17D23 4.21 2.57 -8.91 -0.65 0
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405687 135075002 1 BrN3O5C31H42 AB3C5D31E42 -186.0 4.17 -8.7 -0.55 0
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405688 135075008 1 BrN3O5C28H36 AB3C5D28E36 -167.36 3.56 -9.11 -0.71 0
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405689 135075010 1 NO2C16H19 AB2C16D19 -27.74 5.62 -9.81 -0.79 0
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405690 135075011 1 NO2C21H21 AB2C21D21 6.21 5.0 -9.47 -0.83 0
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405691 135075012 1 NO3C17H21 AB3C17D21 -57.66 4.69 -9.08 -0.71 0
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405692 135075013 1 O9C10H18 A9B10C18 -401.0 4.51 -10.07 0.1 0
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405693 135075014 1 O3C11H18 A3B11C18 -164.39 4.29 -10.06 0.6 0
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405694 135075015 1 NO4C9H11 AB4C9D11 -135.06 3.5 -11.09 -1.31 -1
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405695 135075016 1 O3C5H7 A3B5C7 -73.65 3.5 0.0 0.0 0
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405696 135075017 1 FO4C6H11 AB4C6D11 -242.6 2.14 -10.47 1.02 0
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405697 135075023 1 SF3O4C14H19 AB3C4D14E19 -309.07 2.1 -9.37 -1.34 0
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405698 135075040 1 NO2C18H25 AB2C18D25 -63.31 2.64 -8.98 0.23 0
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405699 135075107 2 O2C11H15 A2B11C15 -145.02 2.13 -8.82 -0.04 0
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405700 135075133 1 NaO2C17H17 AB2C17D17 -110.99 11.29 -8.8 0.09 0
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405701 135075137 1 NO2S2H11C12 AB2C2D11E12 -3.37 4.2 -9.37 -0.9 0
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405702 135075138 1 NO2F7C22H22 AB2C7D22E22 -406.76 6.14 -8.72 -1.61 0
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405703 135075139 1 ClNSO3H18C20 ABCD3E18F20 -65.98 5.25 -8.69 -0.71 0
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405704 135075140 1 FNSO2H18C20 ABCD2E18F20 -71.2 6.97 -8.93 -0.59 0
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405705 135075141 1 BrLiO2H4C7 ABC2D4E7 -82.37 9.63 -9.91 -0.57 0
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405706 135075142 1 ClNPSiO6C20H39 ABCDE6F20G39 -384.1 3.8 -8.98 0.3 0
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405707 135075143 1 ClSSiN2O3C20H29 ABCD2E3F20G29 -105.66 3.59 -8.98 -0.85 0
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405708 135075145 1 BClO2F3C15H17 ABC2D3E15F17 -310.69 3.93 -9.86 -0.45 0
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405709 135075146 1 KO3H9C14 AB3C9D14 -103.41 11.31 -8.89 -0.99 0
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405710 135075147 1 BrNO5C13H16 ABC5D13E16 -146.7 1.04 -8.48 -0.61 0
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405711 135075148 1 O3C15H22 A3B15C22 -80.19 2.71 -9.33 -0.14 0
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405712 135075149 1 ClSN2O2H13C14 ABC2D2E13F14 -28.07 5.27 -9.28 -1.18 0
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405713 135075150 1 SN2O3H20C21 AB2C3D20E21 -31.57 4.55 -8.88 -0.98 0
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405714 135075151 1 FSN2O2H13C14 ABC2D2E13F14 -66.95 5.31 -9.31 -1.15 0
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405715 135075152 1 FSiN2C16H21 ABC2D16E21 -25.41 2.71 -9.15 -0.47 0
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405716 135075153 1 ClSiN2C16H21 ABC2D16E21 11.91 3.15 -9.17 -0.49 0
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405717 135075154 1 O2N4H8C13 A2B4C8D13 107.39 7.73 -10.07 -2.11 0
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405718 135075155 1 NO4C12H15 AB4C12D15 -100.92 2.8 -8.98 -0.39 0
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405719 135075156 1 O2C21H28 A2B21C28 -59.15 4.67 -9.58 -0.57 0
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405720 135075157 1 ON2C7H8 AB2C7D8 52.18 2.91 -8.98 -0.64 -1
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405721 135075158 1 ON2C7H7 AB2C7D7 39.81 5.08 0.0 0.0 0