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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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394747 135023675 2 OC8H9 AB8C9 -16.21 2.21 -9.38 -0.32 0
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394748 135023676 1 O5C19H28 A5B19C28 -236.74 4.64 -9.63 0.02 0
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394749 135023677 1 OC13H14 AB13C14 -19.16 2.96 -9.01 -0.28 0
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394750 135023684 1 SO4C8H16 AB4C8D16 -192.63 5.64 -9.72 0.29 0
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394751 135023690 1 NO6H15C17 AB6C15D17 -130.49 7.48 -10.0 -1.6 1
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394752 135023692 1 ON3C40H46 AB3C40D46 38.17 3.04 0.0 0.0 0
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394753 135023694 1 O2N4H14C25 A2B4C14D25 115.16 9.16 -9.67 -1.52 0
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394754 135023695 1 NO6C25H31 AB6C25D31 -202.27 3.69 -9.79 -0.22 0
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394755 135023696 2 NOC10H11 ABC10D11 -28.69 3.83 -8.96 -0.4 0
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394756 135023704 2 O5H11C13 A5B11C13 -98.87 5.68 -9.73 -0.89 0
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394757 135023705 1 GeN3C19H21 AB3C19D21 75.69 2.16 -8.54 -0.57 0
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394758 135023706 1 NOC19H19 ABC19D19 26.22 2.35 -8.51 0.14 0
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394759 135023707 2 OC9H11 AB9C11 -11.15 3.58 -9.38 -0.36 0
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394760 135023709 1 O2H20C21 A2B20C21 -23.94 4.09 -9.54 -0.68 0
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394762 135023715 1 N2O5C21H26 A2B5C21D26 -210.52 4.13 -8.27 -0.08 0
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394763 135023716 1 BrOC14H17 ABC14D17 -27.5 2.95 -8.55 0.27 0
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394764 135023717 1 O3H10C12 A3B10C12 -67.2 5.29 -9.06 -0.9 0
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394765 135023718 1 N4O4C11H20 A4B4C11D20 -135.87 2.78 -9.71 0.1 0
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394766 135023719 1 N2O3H40C41 A2B3C40D41 39.42 3.71 -8.96 -0.53 0
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394767 135023720 1 NO4C15H31 AB4C15D31 -209.27 6.69 -8.8 1.2 0
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394768 135023721 1 OF3H15C18 AB3C15D18 -149.83 2.68 -9.4 -0.69 0
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394769 135023722 1 ClOF3H8C15 ABC3D8E15 -139.52 2.52 -9.36 -1.14 0
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394770 135023734 1 O2C19H28 A2B19C28 -102.36 3.17 -9.18 0.7 0
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394771 135023737 1 SiO4C25H42 AB4C25D42 -234.44 2.55 -8.82 0.4 0
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394772 135023739 1 OSN2C13H16 ABC2D13E16 23.3 7.47 -8.44 -0.7 0
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394773 135023740 1 NO2C16H21 AB2C16D21 -44.85 1.66 -8.87 0.22 0
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394774 135023750 1 SN3H15C18 AB3C15D18 109.65 4.56 -8.88 -0.84 0
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394775 135023757 1 NO2C18H27 AB2C18D27 -83.62 2.65 -9.0 0.43 0
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394776 135023766 2 NOC10H11 ABC10D11 -27.32 3.24 -8.62 -0.73 0
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394777 135023787 1 O5C22H26 A5B22C26 -156.19 4.58 -9.03 -0.03 0
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394778 135023798 2 NO2H8C10 AB2C8D10 -45.04 3.41 -9.3 -0.86 0
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394779 135023801 1 SO4N5H21C22 AB4C5D21E22 45.63 6.96 -8.12 -0.97 0
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394780 135023802 1 SO3N5H19C22 AB3C5D19E22 114.64 4.72 -8.32 -1.65 0
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394781 135023803 1 NO4C37H55 AB4C37D55 -142.06 8.74 -8.76 -1.33 0
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394782 135023805 1 O5C16H20 A5B16C20 -216.99 5.96 -10.43 -0.79 -1
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394783 135023807 1 ClO4C16H16 AB4C16D16 -113.71 4.05 0.0 0.0 0
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394784 135023808 1 ClO4C16H17 AB4C16D17 -134.85 3.23 -9.26 -0.42 -1
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394785 135023809 1 ClO4C16H16 AB4C16D16 -114.52 3.62 0.0 0.0 0
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394786 135023810 1 ClO4C16H17 AB4C16D17 -135.55 2.27 -9.39 -0.35 0
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394788 135023817 1 NPO3C25H27 ABC3D25E27 -56.46 4.04 0.0 0.0 0
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394789 135023818 1 NPO3C25H28 ABC3D25E28 -59.63 5.72 -8.28 -0.61 1
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394790 135023819 1 O4H17C21 A4B17C21 -29.47 4.54 0.0 0.0 0
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394791 135023822 1 SN3H13C17 AB3C13D17 120.63 5.0 -9.0 -0.98 0
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394792 135023823 1 FSN3H10C16 ABC3D10E16 85.16 5.39 -9.22 -0.86 0
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394793 135023824 1 ClSN3H10C16 ABC3D10E16 121.14 3.09 -9.17 -1.14 0
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394794 135023827 2 O2H11C14 A2B11C14 -53.94 3.16 -8.86 -0.81 0
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394795 135023828 2 O3H7C8 A3B7C8 -144.24 4.21 -9.55 -0.53 0
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394797 135023830 1 ON2H17C19 AB2C17D19 62.16 5.41 0.0 0.0 0
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394798 135023832 1 NO5C19H29 AB5C19D29 -220.91 4.95 -8.81 -0.04 0
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394799 135023833 1 ON2H30C31 AB2C30D31 32.12 3.22 -8.49 -0.65 0