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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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10698 106876 1 O3C13H20 A3B13C20 -146.45 4.07 -9.93 -0.27 0
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10699 106894 4 C3H5 A3B5 -15.28 1.41 -9.04 1.53 0
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10700 106896 1 O3C21H26 A3B21C26 -106.88 5.35 -9.23 -0.39 0
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10701 106933 2 SC5O5H9 AB5C5D9 -387.41 3.9 -10.43 -0.33 0
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10702 106958 1 CoLi2S2O8N10H26C32 AB2C2D8E10F26G32 -79.85 26.29 0.0 0.0 0
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10703 106959 1 SO4N5H15C16 AB4C5D15E16 -28.66 5.99 -8.9 -1.53 0
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10704 106961 1 SO7C22H44 AB7C22D44 -384.99 5.56 -10.04 0.03 0
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10705 106966 2 OC8H9 AB8C9 -49.52 2.37 -8.72 0.21 0
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10706 106968 2 OC7H11 AB7C11 -98.91 2.37 -9.44 0.93 0
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10707 106977 1 NO2Cl4H15C16 AB2C4D15E16 -91.21 0.32 -10.1 -2.05 0
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10708 106979 1 O7C46H88 A7B46C88 -498.08 5.76 -10.5 0.32 0
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10709 106987 1 NO8C10H21 AB8C10D21 -366.74 8.31 -10.15 0.35 0
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10710 107057 1 O2C13H26 A2B13C26 -127.7 0.98 -9.1 1.61 0
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10711 107059 2 OC5H10 AB5C10 -134.53 1.71 -10.62 0.93 0
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10712 107060 1 O3C9H16 A3B9C16 -154.12 2.62 -10.32 0.18 0
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10713 107063 1 O3C10H20 A3B10C20 -132.61 1.98 -9.52 0.84 0
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10714 107066 2 OC6H12 AB6C12 -145.85 1.75 -10.7 0.91 0
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10715 107078 1 O3H12C13 A3B12C13 -91.94 2.98 -8.9 -0.22 0
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10716 107090 1 NSO6C8H11 ABC6D8E11 -213.95 8.99 -9.15 -0.68 0
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10717 107143 1 Br3C4H7 A3B4C7 -14.05 1.47 -10.58 -1.32 0
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10718 107146 1 ON2C18H22 AB2C18D22 7.42 2.64 -8.96 -0.61 0
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10719 107152 3 C5H8 A5B8 -19.04 0.92 -8.64 1.64 0
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10720 107171 1 OC20H30 AB20C30 -79.15 2.09 -8.81 0.62 0
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10721 107320 1 OC10H18 AB10C18 -79.82 3.54 -9.7 0.82 0
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10722 107321 1 O4C9H16 A4B9C16 -206.71 1.32 -10.78 0.75 0
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10723 107336 1 ClSN2O4C23H25 ABC2D4E23F25 -108.74 2.96 -8.29 -1.77 0
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10724 107350 1 ClN2C11H19 AB2C11D19 -14.56 4.97 -9.35 0.38 0
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10725 107384 2 C8H9 A8B9 26.97 0.17 -9.21 0.36 0
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10726 107395 1 NOC23H39 ABC23D39 -94.41 3.13 -8.52 2.55 0
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10727 107458 1 O7C29H46 A7B29C46 -379.78 2.41 -10.12 0.75 0
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10728 107461 1 N3O6C11H15 A3B6C11D15 -242.93 3.76 -9.94 -0.88 0
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10729 107473 1 NS2O4C21H39 AB2C4D21E39 -199.9 8.62 -8.89 0.17 0
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10730 107488 1 ClN3O4C9H14 AB3C4D9E14 -192.76 5.77 -9.97 -0.78 0
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10731 107490 1 N5C44H83 A5B44C83 -78.85 4.91 -8.56 1.07 0
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10732 107491 1 OC10H18 AB10C18 -66.94 2.37 -9.95 2.67 0
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10733 107494 1 SnO4C16H32 AB4C16D32 -188.25 3.27 -9.52 -1.41 0
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10734 107497 1 O3C22H34 A3B22C34 -188.65 2.02 -9.87 0.76 0
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10735 107518 1 SC4O5H8 AB4C5D8 -205.47 3.28 -10.88 -0.97 0
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10736 107522 1 PC6O9H13 AB6C9D13 -453.69 5.26 -10.52 -0.22 0
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10737 107524 1 ON2C18H26 AB2C18D26 -24.32 3.94 -8.8 0.16 0
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10738 107525 1 ON2C18H26 AB2C18D26 -25.14 3.96 -8.63 0.09 0
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10739 107527 1 NSO3H12C13F17 ABC3D12E13F17 -970.35 6.43 -10.23 -1.06 0
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10740 107560 1 FO6C24H29 AB6C24D29 -267.06 6.18 -10.08 -0.72 0
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10741 107561 1 OC10H16 AB10C16 -59.82 5.12 -9.63 0.1 0
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10742 107562 1 ON2H14C15 AB2C14D15 60.24 0.64 -8.54 -0.4 0
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10743 107563 1 ClO2C21H29 AB2C21D29 -122.8 6.8 -9.96 -0.24 0
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10744 107564 1 NI2O4H13C15 AB2C4D13E15 -86.77 6.86 -9.16 -1.48 0
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10745 107565 1 NaSO3C16H31 ABC3D16E31 -218.81 5.38 -9.89 0.67 0
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10746 107566 1 SO3C16H32 AB3C16D32 -182.62 5.49 -10.88 -0.24 0
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10747 107567 1 N2S4O6H32C33 A2B4C6D32E33 -130.24 12.84 -7.97 -2.11 0
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10748 107568 2 OC9H16 AB9C16 -106.87 4.72 -9.5 0.7 0
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10750 107571 2 O2C7H9 A2B7C9 -148.44 1.81 -8.79 -0.82 0
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10751 107572 1 N2O8C21H26 A2B8C21D26 -310.14 4.55 -9.69 -1.02 0
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10752 107573 1 N2O5C14H18 A2B5C14D18 -202.91 4.86 -9.68 -0.19 0
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10753 107574 1 N3C18H19 A3B18C19 95.36 2.99 -7.98 -0.65 0
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10754 107576 1 NaSO3C18H35 ABC3D18E35 -174.9 9.6 -9.25 -0.39 0
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10755 107589 1 ICl2N3C19H20 AB2C3D19E20 65.64 20.68 -6.78 -1.72 0
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10756 107625 1 N3O4C21H31 A3B4C21D31 -138.76 4.42 -9.94 -0.69 0
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10757 107640 1 N2O10C37H50 A2B10C37D50 -413.92 5.54 -8.73 -0.9 0
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10758 107725 1 SN5O10C25H29 AB5C10D25E29 -300.12 6.49 -9.17 -1.71 0
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10759 107757 1 N3O6C34H60 A3B6C34D60 -328.01 6.63 0.0 0.0 1
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10760 107774 1 FSCl2N3O4C30H40 ABC2D3E4F30G40 -225.48 5.81 -8.46 -0.31 0
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10761 107784 1 SO5N6C16H25 AB5C6D16E25 -166.18 4.7 0.0 0.0 1
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10762 107789 1 ClNO4C20H24 ABC4D20E24 -141.38 6.94 -8.75 -0.24 0
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10763 107790 5 NC3H3 AB3C3 130.57 4.28 -8.13 -0.82 0
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10764 107797 1 S2N5O8C21H25 A2B5C8D21E25 -299.33 3.55 -9.76 -0.84 0
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10765 107801 3 O2C3H6 A2B3C6 -310.46 7.42 -10.46 -0.22 0
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10766 107802 1 O3C5H10 A3B5C10 -155.25 6.39 -10.85 0.77 0
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10767 107803 1 NO4C21H25 AB4C21D25 -57.3 13.62 -8.31 -0.22 0
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10768 107806 1 P2O8H36C39 A2B8C36D39 -317.59 2.67 -9.33 -0.25 0
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10769 107815 1 CrHO4 ABC4 -136.62 2.75 0.0 0.0 -1
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10770 107816 1 NSO3C12H15 ABC3D12E15 -113.47 6.67 -9.14 -0.23 0
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10771 107822 1 NO4C27H35 AB4C27D35 -179.88 4.14 -8.22 0.25 0
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10772 107825 1 O8C23H34 A8B23C34 -352.74 3.17 -9.32 0.62 0
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10773 107826 1 SC14H14 AB14C14 35.07 2.07 -8.14 -0.4 0
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10774 107834 1 O8C27H32 A8B27C32 -238.32 7.73 -9.55 -1.12 0
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10775 107852 1 N4O5C34H34 A4B5C34D34 4.73 9.56 -8.53 -1.32 0
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10776 107860 4 OH4C5 AB4C5 -123.4 4.18 -8.63 -1.34 0
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10777 107867 1 O2N5C24H31 A2B5C24D31 -28.09 5.06 -8.71 -0.78 0
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10778 107889 2 NH7C9 AB7C9 69.33 2.5 -8.16 -0.69 0
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10779 107893 1 NNaS2O5C8H18 ABC2D5E8F18 -250.68 5.44 -9.07 -0.22 0
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10780 107894 1 NS2O5C8H19 AB2C5D8E19 -232.21 7.98 -8.74 0.37 0
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10781 107900 1 NO2H15C18 AB2C15D18 -26.51 5.74 -8.36 -0.91 0
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10782 107903 1 F2N7C28H33 A2B7C28D33 21.93 1.49 -9.03 -0.27 0
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10783 107910 1 NS2O9C12H21 AB2C9D12E21 -346.73 6.61 -9.49 -0.83 0
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10784 107922 1 OH10C18 AB10C18 70.36 2.51 -8.53 -1.25 0
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10785 107923 1 NO4C26H35 AB4C26D35 -158.75 3.64 -8.5 -0.4 0
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10786 107934 1 NO2S2C6H16 AB2C2D6E16 -95.28 10.41 0.0 0.0 1
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10787 107939 1 NO6C18H25 AB6C18D25 -204.59 8.74 -9.21 0.1 0
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10788 107946 1 SO2Cl4H10C15 AB2C4D10E15 -50.99 5.68 -9.71 -1.04 0
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10789 107974 1 O4C15H20 A4B15C20 -92.04 2.37 -9.99 -0.11 0
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10790 107975 1 ClN6O6H13C14 AB6C6D13E14 23.35 7.04 -8.98 -1.98 0
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10791 107979 1 ClNO3C25H30 ABC3D25E30 -101.47 13.08 -8.15 -0.56 0
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10792 108025 1 BrN2O2H5C6 AB2C2D5E6 -57.39 4.36 -9.51 -1.25 0
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10793 108041 1 O2N5H19C21 A2B5C19D21 32.83 8.19 -8.97 -0.9 0
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10794 108045 1 PN2O7C36H60 AB2C7D36E60 -370.21 9.85 0.0 0.0 1
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10795 108070 2 Cl2H2C5 A2B2C5 8.58 0.03 -9.52 -1.46 0
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10796 108071 2 Cl2H2C5 A2B2C5 6.82 0.5 -9.25 -1.47 0
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10797 108072 1 NO9C16H25 AB9C16D25 -351.48 4.32 -10.22 -0.9 0
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10798 108075 1 N4O7C29H30 A4B7C29D30 -202.22 7.66 -9.02 -1.11 0