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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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407877 135080632 1 NO2C11H19 AB2C11D19 -100.23 3.61 -10.97 0.48 0
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407878 135080633 2 O3C4H8 A3B4C8 -277.33 3.48 -10.36 0.57 -2
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407879 135080634 1 NO5C8H13 AB5C8D13 -212.31 0.91 -8.68 0.34 -2
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407880 135080635 1 PC7O8H13 AB7C8D13 -303.13 3.73 -10.34 -1.69 -2
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407881 135080636 1 NO4C11H17 AB4C11D17 -188.75 1.6 -8.36 0.29 0
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407882 135080637 1 N3O5C6H11 A3B5C6D11 -154.4 1.5 -10.33 -0.55 0
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407883 135080638 1 O3C14H16 A3B14C16 -121.46 5.34 -9.71 -0.58 0
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407884 135080639 1 BrNOC10H10 ABCD10E10 -1.66 4.8 -9.94 -0.54 0
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407885 135080640 1 IO2C9H9 AB2C9D9 -48.15 3.27 -9.72 -1.22 -2
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407886 135080641 1 NO5C6H9 AB5C6D9 -206.37 2.88 -8.48 0.67 0
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407887 135080642 1 O2C9H14 A2B9C14 -86.1 4.33 -9.72 0.07 0
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407888 135080643 1 O2C15H20 A2B15C20 -89.59 3.95 -9.44 0.31 0
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407889 135080644 1 OSN2C10H10 ABC2D10E10 26.67 10.08 -9.71 -1.14 0
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407890 135080645 1 O3C13H16 A3B13C16 -94.75 3.89 -9.4 0.06 0
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407891 135080646 1 NO3C11H19 AB3C11D19 -144.68 4.41 -11.29 -0.23 0
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407892 135080647 1 BrSC11H13 ABC11D13 29.27 3.33 -8.7 -0.21 0
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407893 135080648 1 SO2C8H8 AB2C8D8 -59.79 4.68 -9.48 -0.58 0
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407894 135080649 1 TiN9C68H81 AB9C68D81 187.1 7.44 -7.05 -1.6 0
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407896 135080651 1 ZnN8O8C136H160 AB8C8D136E160 78.19 2.03 -7.96 -2.42 0
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407897 135080652 2 N4O4C68H81 A4B4C68D81 88.2 17.85 -7.23 -2.72 0
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407898 135080653 1 NiN8H30C44 AB8C30D44 551.51 6.41 -8.63 -1.79 0
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407899 135080654 1 ClNO2C8H14 ABC2D8E14 -75.5 2.22 -9.26 0.45 0
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407900 135080655 1 CoN24C120H160 AB24C120D160 772.79 133.51 0.0 0.0 0
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407901 135080656 6 N4C20H27 A4B20C27 534.96 4.56 -8.12 -2.38 0
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407902 135080657 1 ZnCl8O8N16H32C72 AB8C8D16E32F72 481.94 10.76 -7.81 -3.4 0
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407903 135080658 2 Cl4O4N8H17C36 A4B4C8D17E36 436.2 12.18 -9.16 -2.7 0
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407904 135080659 1 IInN8O8C160H184 ABC8D8E160F184 218.53 12.02 -7.17 -2.42 0
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407907 135080662 1 BON6H15C25 ABC6D15E25 100.87 3.38 -7.61 -2.08 0
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407908 135080663 1 BN12O13H37C58 AB12C13D37E58 345.06 11.07 -8.48 -3.37 0
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407909 135080664 1 BN6O13H55C70 AB6C13D55E70 -142.39 31.72 -6.92 -4.72 0
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407910 135080665 3 OZnS6N9C69H87 ABC6D9E69F87 1073.46 8.56 -7.7 -2.78 0
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407912 135080667 1 BrNSO2C12H16 ABCD2E12F16 -45.61 3.86 -9.24 -0.66 0
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407913 135080668 1 N2O3C11H14 A2B3C11D14 -124.18 3.63 -10.09 -0.17 0
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407914 135080669 1 NSeO2C11H11 ABC2D11E11 -28.69 4.6 -8.57 -0.56 0
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407915 135080670 1 F2C13H14 A2B13C14 -63.79 2.1 -9.57 0.09 0
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407916 135080671 1 O3C12H20 A3B12C20 -156.24 2.95 -10.12 0.36 0
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407917 135080672 1 OF2C11H14 AB2C11D14 -141.6 2.54 -9.82 -0.04 0
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407918 135080673 1 N3O5C6H11 A3B5C6D11 -155.04 2.53 -10.2 -0.59 0
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407919 135080674 1 ON2C12H16 AB2C12D16 -10.09 5.04 -9.51 -0.48 0
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407920 135080675 1 NO3C9H15 AB3C9D15 -80.69 6.47 -10.27 -0.52 -2
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407921 135080676 1 NPC6O8H12 ABC6D8E12 -312.34 2.14 -10.16 -1.67 0
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407922 135080677 1 F3N3O3C7H8 A3B3C3D7E8 -192.59 2.27 -10.73 -1.46 0
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407923 135080678 1 LiNSH10C13 ABCD10E13 91.63 7.18 -7.22 0.37 0
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407924 135080679 1 NO5C7H13 AB5C7D13 -166.54 3.5 -10.67 -0.44 0
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407925 135080680 1 NC7O7H13 AB7C7D13 -246.95 2.44 -10.69 -0.74 0
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407926 135080681 1 NOF3H10C11 ABC3D10E11 -167.09 5.25 -10.31 -0.82 0
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407927 135080682 1 NO2C12H17 AB2C12D17 -80.63 3.17 -9.37 0.35 -2
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407928 135080683 1 NO5C7H11 AB5C7D11 -216.67 1.28 -8.67 0.03 0
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407929 135080684 1 NO2C11H13 AB2C11D13 -46.45 1.89 -9.02 0.04 -2
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407930 135080685 1 NO4C10H15 AB4C10D15 -179.98 1.3 -8.17 0.1 0