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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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47641 10534557 2 Br2N2O4C37H72 A2B2C4D37E72 -351.61 259.03 -4.25 -3.97 4
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47643 10534559 2 BrCl2N2O8C35H43 AB2C2D8E35F43 -715.19 7.47 -8.98 -0.63 0
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47644 10534560 1 BrCl2N2O8C35H43 AB2C2D8E35F43 -343.62 1.92 -9.04 -0.98 0
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47645 10534561 1 BrCl2N2O8C35H43 AB2C2D8E35F43 -344.88 4.85 -8.93 -0.67 0
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47646 10534562 2 P2O8C44H53 A2B8C44D53 -638.2 8.72 -8.58 -0.3 0
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47649 10534578 1 N7O33C74H123 A7B33C74D123 -1512.08 9.56 -9.48 -1.19 0
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47650 10534579 1 N5O45C62H105 A5B45C62D105 -2058.17 9.65 -9.99 -0.23 0
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47651 10534580 2 O20C38H53 A20B38C53 -1694.99 7.65 -9.95 -0.55 0
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47652 10534581 1 N16O25C76H124 A16B25C76D124 -1134.99 7.24 -9.13 -1.0 0
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47653 10534583 1 N8O43C66H116 A8B43C66D116 -1970.03 10.03 -9.86 -0.08 0
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47655 10534587 6 NOSC17H23 ABCD17E23 13.41 8.7 -8.05 -0.38 0
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47656 10534588 1 IN7O33C74H124 AB7C33D74E124 -1487.86 10.51 -9.52 -1.5 0
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47657 10534589 1 O18N21C88H147 A18B21C88D147 -693.83 9.42 -8.11 -0.72 0
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47659 10534607 2 O5C71H109 A5B71C109 -602.33 4.64 -8.47 -1.13 0
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47660 10534672 1 NO2C6H9 AB2C6D9 -15.29 2.09 -9.58 0.61 0
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47661 10534673 1 NOC7H13 ABC7D13 -48.54 3.79 -10.86 1.26 0
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47662 10534676 1 O2C7H12 A2B7C12 -87.68 2.26 -9.56 0.93 0
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47664 10534680 1 NO2C6H11 AB2C6D11 -68.17 3.04 -10.08 0.58 0
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47665 10534681 1 NOC7H15 ABC7D15 -67.24 1.94 -9.42 2.39 0
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47667 10534684 1 O4C5H6 A4B5C6 -129.0 4.83 -10.87 -0.66 0
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47668 10534685 1 O3C6H10 A3B6C10 -133.66 2.01 -9.99 1.47 0
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47669 10534687 1 NO2C6H13 AB2C6D13 -101.08 1.48 -9.25 0.73 0
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47671 10534690 1 O2C7H14 A2B7C14 -105.11 3.15 -10.0 0.95 0
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47672 10534691 1 O2C7H14 A2B7C14 -96.92 2.54 -10.16 0.57 0
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47673 10534692 1 ON2C6H14 AB2C6D14 -11.1 2.29 -9.35 0.63 0
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47674 10534693 1 NO2C6H13 AB2C6D13 -101.95 1.96 -9.41 1.72 0
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47675 10534700 1 OSN2C4H8 ABC2D4E8 -14.65 2.89 -9.06 -0.17 0
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47676 10534705 1 SO3C4H6 AB3C4D6 -99.03 1.98 -9.82 -1.38 0
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47677 10534706 1 NOC8H9 ABC8D9 -6.76 3.82 -10.1 -0.93 0
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47678 10534715 1 NOC8H11 ABC8D11 -29.11 2.44 -8.52 1.27 0
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47679 10534721 2 N2C3H5 A2B3C5 54.27 4.58 -8.75 0.14 0
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47680 10534726 1 NF2O2C4H7 AB2C2D4E7 -197.41 4.54 -10.67 0.3 0
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47681 10534734 1 ClNH4C7 ABC4D7 45.88 2.43 -10.04 -1.06 0
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47682 10534739 2 OC4H6 AB4C6 -78.69 3.13 -10.17 -0.37 0
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47683 10534743 2 OC4H6 AB4C6 -60.29 1.59 -10.91 0.6 0
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47684 10534751 1 OC9H16 AB9C16 -74.07 2.99 -9.62 0.84 0
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47685 10534758 1 NOC8H15 ABC8D15 -60.83 3.23 -8.75 2.61 0
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47686 10534768 2 OC4H7 AB4C7 -69.83 3.35 -10.44 1.66 0
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47687 10534773 1 NO3C6H9 AB3C6D9 -112.61 6.27 -10.25 0.05 0
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47688 10534779 2 C2O3 A2B3 -184.47 0.01 -11.93 -2.64 0
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47689 10534782 2 OC4H8 AB4C8 -104.92 4.58 -9.93 0.58 0
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47690 10534784 2 OC4H8 AB4C8 -34.62 1.63 -9.72 0.37 0
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47691 10534792 1 NO2C7H15 AB2C7D15 -83.49 1.82 -9.57 1.42 0
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47692 10534795 1 PN2O2C4H7 AB2C2D4E7 -103.2 2.03 -9.85 0.14 0
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47693 10534797 1 N2O3C5H10 A2B3C5D10 -128.93 2.63 -9.86 0.47 0
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47694 10534805 2 O2C3H6 A2B3C6 -197.06 1.86 -10.32 1.58 0
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47695 10534807 1 ON2C8H8 AB2C8D8 28.63 6.14 -8.49 -1.02 0
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47696 10534811 1 OSN2C5H12 ABC2D5E12 -17.78 2.0 -8.8 0.28 0
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47697 10534821 1 N3C8H11 A3B8C11 83.69 3.33 -8.68 -0.38 0
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47698 10534827 1 NOC9H11 ABC9D11 14.2 1.1 -9.48 0.27 0
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47699 10534830 1 OC10H14 AB10C14 -38.78 1.47 -8.73 0.84 0
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47700 10534838 1 NO2C8H9 AB2C8D9 -51.78 0.86 -8.83 -0.79 0
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47701 10534839 1 NO2C8H9 AB2C8D9 -76.17 5.86 -9.52 -0.38 0
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47702 10534842 1 NOC9H13 ABC9D13 -20.11 1.14 -9.44 0.24 0
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47703 10534850 1 N2O2C7H8 A2B2C7D8 -32.46 3.35 -9.69 -1.12 0
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47704 10534857 1 ON2C8H12 AB2C8D12 -11.67 3.33 -8.94 -0.11 0
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47705 10534869 1 NO2C8H11 AB2C8D11 -58.78 3.21 -10.8 -0.36 0
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47706 10534871 1 SN3C6H7 AB3C6D7 65.28 2.7 -9.04 -0.73 0
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47707 10534873 1 NC10H19 AB10C19 -18.42 2.22 -9.0 1.46 0
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47708 10534877 1 O3C8H10 A3B8C10 -118.36 5.55 -10.82 -0.42 0
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47709 10534879 1 O3C8H10 A3B8C10 -49.76 2.21 -10.24 -0.12 0
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47710 10534882 1 O2C9H14 A2B9C14 -104.33 3.64 -9.78 0.42 0
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47711 10534883 1 O2C9H14 A2B9C14 -102.53 1.62 -9.84 0.25 0
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47712 10534886 1 ON2C8H14 AB2C8D14 10.91 1.95 -9.31 0.62 0
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47713 10534889 1 OC10H18 AB10C18 -52.29 0.91 -9.17 0.77 0
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47714 10534890 1 OC10H18 AB10C18 -75.37 1.83 -10.14 2.82 0
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47716 10534896 1 NO2C8H13 AB2C8D13 -56.33 5.37 -9.8 -0.32 0
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47717 10534897 1 NO2C8H13 AB2C8D13 -82.29 3.62 -8.64 0.08 0
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47718 10534898 1 NO2C8H13 AB2C8D13 -63.83 5.47 -8.45 -0.36 0
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47719 10534901 1 NOSC7H9 ABCD7E9 11.27 1.96 -8.88 -0.38 0
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47720 10534904 1 NOC9H17 ABC9D17 -64.46 3.2 -10.07 0.78 0
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47722 10534920 1 O2C9H16 A2B9C16 -115.96 3.96 -9.82 0.67 0
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47723 10534927 1 ON2C8H16 AB2C8D16 -45.2 3.61 -8.51 0.62 0
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47724 10534928 1 ON2C8H16 AB2C8D16 -58.0 3.51 -9.06 1.07 0
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47725 10534931 1 O2C4N5H7 A2B4C5D7 -3.45 6.84 -9.67 -0.57 0
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47726 10534936 1 NC11H11 AB11C11 51.07 4.29 -9.56 -0.14 0
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47727 10534943 1 O3C8H14 A3B8C14 -138.66 3.18 -10.17 0.63 0
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47728 10534946 1 N2O2C7H14 A2B2C7D14 -72.4 2.56 -9.96 0.18 0
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47729 10534952 1 O2C9H18 A2B9C18 -92.91 0.77 -9.78 1.35 0
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47730 10534955 1 OSC8H14 ABC8D14 -49.29 1.07 -8.64 0.08 0
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47731 10534959 1 N3O3C5H9 A3B3C5D9 -71.37 2.67 -10.71 -1.08 0
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47732 10534960 1 H5N5C7 A5B5C7 97.67 4.2 -9.05 -1.29 0
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47734 10534977 1 OC11H12 AB11C12 -15.49 0.82 -8.34 -0.03 0
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47735 10534986 1 NOC10H11 ABC10D11 3.45 5.28 -9.1 -0.05 0
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47736 10534988 1 N3C9H11 A3B9C11 60.78 5.02 -9.04 -0.48 0
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47737 10534989 1 NSO2C6H11 ABC2D6E11 -102.98 3.44 -9.16 -0.06 0
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47738 10535000 1 NO3H5C8 AB3C5D8 -61.13 5.96 -10.23 -1.36 0
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47739 10535012 1 O3H8C9 A3B8C9 -93.29 6.61 -9.65 -0.69 0
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47740 10535013 1 ON4C7H8 AB4C7D8 3.21 1.34 -8.67 -0.2 0
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47741 10535019 2 OC5H6 AB5C6 -27.91 2.41 -9.6 0.11 0
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47742 10535029 2 NC5H8 AB5C8 9.44 2.98 -8.16 0.54 0
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47743 10535030 1 SC10H12 AB10C12 30.63 1.81 -9.06 -0.17 0
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47744 10535031 4 C3H5 A3B5 8.2 1.1 -10.22 1.9 0
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47745 10535035 1 BNO2C8H12 ABC2D8E12 -137.99 4.32 -8.38 0.24 0
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47746 10535039 1 ON5C6H7 AB5C6D7 34.74 12.33 -8.73 -1.12 0
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47747 10535040 1 ON5C6H7 AB5C6D7 90.26 5.44 -9.0 -1.38 0
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47748 10535046 1 NOC10H15 ABC10D15 -15.95 3.81 -9.08 0.65 0
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47749 10535057 1 FOC10H11 ABC10D11 -68.19 2.27 -9.61 -0.18 0
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47750 10535071 1 OC11H18 AB11C18 -0.78 2.83 -10.01 1.71 0
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47751 10535082 1 NO3C8H9 AB3C8D9 -110.99 4.27 -9.61 -1.07 0