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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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39628 8141689 1 N2O4C17H20 A2B4C17D20 -150.82 3.51 -9.38 -0.11 0
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39629 8141691 1 N2O4H12C17 A2B4C12D17 -42.12 1.71 -8.78 -1.34 0
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39630 8141692 1 N3O3C23H33 A3B3C23D33 -150.03 6.5 -9.04 -0.14 0
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39631 8141693 1 ON3C22H25 AB3C22D25 24.8 4.4 -9.22 -0.92 0
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39632 8141705 1 SO3N5C15H21 AB3C5D15E21 -92.61 9.21 -9.38 -0.74 0
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39633 8141707 1 ON6H22C23 AB6C22D23 90.89 5.73 -8.82 -1.17 0
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39634 8141708 1 ClSO3N4C18H19 ABC3D4E18F19 -98.66 3.04 -9.23 -1.15 0
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39635 8141709 1 ClOSN4H11C17 ABCD4E11F17 80.24 4.28 -9.14 -1.28 0
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39636 8141715 1 FSO3N4H19C20 ABC3D4E19F20 -59.53 4.78 -9.41 -1.04 0
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39637 8141716 1 FSO3N4H19C20 ABC3D4E19F20 -61.46 6.99 -9.32 -1.04 0
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39638 8141722 1 O2N4C21H22 A2B4C21D22 1.47 5.62 -9.11 -1.16 0
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39639 8141730 1 N3O5C23H37 A3B5C23D37 -217.81 5.8 -8.67 -0.16 0
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39640 8141732 1 BrO2N3C17H24 AB2C3D17E24 -80.4 4.19 -9.15 -0.63 0
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39641 8141734 1 SN4O4C19H30 AB4C4D19E30 -159.52 8.23 -9.19 -0.93 1
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39642 8141737 1 ClN3O3C21H33 AB3C3D21E33 -131.6 3.21 0.0 0.0 0
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39643 8141738 1 ClN3O3C21H32 AB3C3D21E32 -153.7 3.07 -8.65 0.04 1
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39644 8141739 1 N3O4C21H32 A3B4C21D32 -127.31 7.04 0.0 0.0 0
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39645 8141740 1 N3O4C21H31 A3B4C21D31 -149.15 4.49 -8.48 -0.46 1
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39646 8141741 1 BrN3O3C18H27 AB3C3D18E27 -96.63 3.06 0.0 0.0 0
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39647 8141742 1 BrN3O3C18H26 AB3C3D18E26 -119.92 4.81 -9.2 -0.29 1
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39648 8141745 1 ClN3O3C20H31 AB3C3D20E31 -124.11 3.98 0.0 0.0 0
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39649 8141746 1 ClN3O3C20H30 AB3C3D20E30 -146.51 0.4 -9.08 -0.31 1
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39650 8141747 1 N4O4C20H27 A4B4C20D27 -128.34 7.1 0.0 0.0 0
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39651 8141748 2 N2O2C10H13 A2B2C10D13 -149.68 1.76 -9.02 -1.52 1
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39652 8141751 1 ClN4O4C17H24 AB4C4D17E24 -72.36 3.76 0.0 0.0 0
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39653 8141752 1 ClN4O4C17H23 AB4C4D17E23 -93.14 6.19 -9.36 -1.92 1
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39654 8141753 1 Cl2O2N3C18H26 A2B2C3D18E26 -86.51 2.54 0.0 0.0 1
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39655 8141757 1 Cl2O2N3C18H26 A2B2C3D18E26 -86.35 2.47 0.0 0.0 0
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39656 8141760 1 O2F3N3C19H26 A2B3C3D19E26 -253.35 4.06 -9.24 -0.66 0
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39657 8141762 1 N3O5C22H35 A3B5C22D35 -210.2 2.76 -8.65 0.25 0
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39658 8141768 1 O2N3C25H33 A2B3C25D33 -68.08 2.58 -9.01 0.16 1
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39659 8141769 1 N3O3C22H30 A3B3C22D30 -81.85 4.41 0.0 0.0 1
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39660 8141771 1 N3O3C22H36 A3B3C22D36 -129.15 5.48 0.0 0.0 1
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39661 8141773 1 N3O3C24H32 A3B3C24D32 -75.59 2.45 0.0 0.0 0
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39662 8141782 3 NOC8H13 ABC8D13 -158.58 5.1 -8.75 0.23 1
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39663 8141785 1 N4O4C21H35 A4B4C21D35 -193.34 6.29 0.0 0.0 1
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39664 8141799 1 N4O4C23H33 A4B4C23D33 -140.92 24.22 0.0 0.0 1
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39665 8141801 1 F2N3O3C20H28 A2B3C3D20E28 -198.4 4.84 0.0 0.0 0
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39666 8141802 1 F2N3O3C20H27 A2B3C3D20E27 -219.75 4.76 -9.04 -0.66 1
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39667 8141805 1 N3O4C21H30 A3B4C21D30 -127.38 6.43 0.0 0.0 0
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39668 8141816 1 NO5C19H21 AB5C19D21 -139.46 5.49 -8.38 -0.17 0
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39669 8141818 1 NO4C20H21 AB4C20D21 -91.91 2.71 -8.28 -0.76 0
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39670 8141824 1 NF2O4H21C23 AB2C4D21E23 -204.67 5.54 -8.76 -0.59 0
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39671 8141829 1 FO2N3C21H24 AB2C3D21E24 -95.09 7.84 -9.13 -0.28 1
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39672 8141830 1 F2N3O3C20H22 A2B3C3D20E22 -150.28 7.69 0.0 0.0 0
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39673 8141833 1 FN3O3C22H26 AB3C3D22E26 -138.13 6.45 -9.12 -0.2 0
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39674 8141839 1 NSO3C18H19 ABC3D18E19 -57.7 5.22 -8.69 -0.72 1
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39675 8141841 1 ClFO2N3C19H20 ABC2D3E19F20 -68.86 0.97 0.0 0.0 0
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39676 8141842 1 ClFO2N3C19H19 ABC2D3E19F19 -88.72 3.21 -9.03 -0.62 0
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39677 8141846 1 ClN3O3C19H20 AB3C3D19E20 -59.71 2.16 -9.06 -0.71 0
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39678 8141854 1 ClO2N3C21H24 AB2C3D21E24 -54.41 1.52 -9.03 -0.35 1
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39679 8141859 1 ClO2N3C20H23 AB2C3D20E23 -31.79 6.38 0.0 0.0 0
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39680 8141860 1 ClO2N3C20H22 AB2C3D20E22 -47.0 3.84 -9.06 -0.44 0
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39681 8141866 1 ClF2O2N3H18C19 AB2C2D3E18F19 -135.2 3.99 -9.04 -0.89 1
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39682 8141877 1 ClFO2N3C21H22 ABC2D3E21F22 -56.25 4.98 0.0 0.0 1
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39683 8141879 1 ClN3O3C22H25 AB3C3D22E25 -49.58 4.5 0.0 0.0 1
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39684 8141887 1 ClSO2N3C21H25 ABC2D3E21F25 -37.51 4.43 0.0 0.0 0
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39685 8141900 1 ClN3O3C21H24 AB3C3D21E24 -90.1 3.26 -8.96 -0.28 0
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39686 8141907 1 N2O5H22C23 A2B5C22D23 -46.1 3.85 -8.49 -1.54 0
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39687 8141909 1 NO4C23H23 AB4C23D23 -59.36 3.86 -8.32 -0.68 0
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39688 8141913 1 NO3C23H23 AB3C23D23 -39.81 4.0 -8.26 -0.1 0
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39689 8141918 1 N2O3H22C24 A2B3C22D24 -8.72 2.87 -8.66 -1.16 0
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39690 8141921 1 NO5C25H25 AB5C25D25 -110.53 3.27 -8.39 0.01 0
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39691 8141925 1 NF2O3H21C23 AB2C3D21E23 -134.73 4.09 -8.48 -0.75 0
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39692 8141929 1 ClN4O4C16H21 AB4C4D16E21 -84.53 7.78 -9.3 -1.7 1
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39693 8141930 1 BrO2N3C16H23 AB2C3D16E23 -51.62 2.02 0.0 0.0 1
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39694 8141940 1 ClN4O4C16H22 AB4C4D16E22 -64.03 3.32 0.0 0.0 1
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39695 8141946 1 SN4O4C20H33 AB4C4D20E33 -142.18 7.82 0.0 0.0 0
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39696 8141963 1 N3O3C23H27 A3B3C23D27 -82.95 3.09 -8.83 -0.79 0
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39697 8141975 1 N2O5C24H30 A2B5C24D30 -204.17 7.04 -8.55 0.0 0
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39698 8141977 1 NO5C24H25 AB5C24D25 -134.91 4.82 -8.6 -0.73 0
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39699 8141979 1 ClSN3O3H14C15 ABC3D3E14F15 -15.31 4.05 -8.78 -2.0 0
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39700 8141980 1 SN3O4C16H17 AB3C4D16E17 -43.01 9.04 -9.18 -1.05 0
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39701 8141981 1 SN3O4C16H17 AB3C4D16E17 -44.08 9.27 -9.2 -1.06 0
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39702 8141987 1 OSN2C17H20 ABC2D17E20 -17.54 2.22 -8.46 -0.11 0