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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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449789 135301488 1 NH17C22 AB17C22 161.5 3.7 -7.61 -1.19 0
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449790 135301489 1 NO2H17C21 AB2C17D21 98.18 9.78 -6.66 -2.19 0
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449791 135301498 1 NOSC6H13 ABCD6E13 -29.94 4.23 -8.48 0.31 0
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449792 135301523 1 ClO2N7C26H32 AB2C7D26E32 -0.17 7.4 -8.68 -0.29 0
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449796 135301563 1 NH11C13 AB11C13 156.27 2.33 -8.29 -0.45 0
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449797 135301583 1 F3O3C7H9 A3B3C7D9 -302.33 1.81 -10.67 0.16 0
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449798 135301601 1 ON6C26H26 AB6C26D26 104.17 11.72 -8.36 -1.79 0
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449800 135301605 1 O2F4N7C26H27 A2B4C7D26E27 -157.79 12.39 -8.79 -0.93 0
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449801 135301642 1 O2N3C20H31 A2B3C20D31 -112.74 1.81 -8.61 0.4 0
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449802 135301654 1 OSN7C18H27 ABC7D18E27 18.34 3.43 -8.31 -0.34 0
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449803 135301658 1 OSF3N5C20H24 ABC3D5E20F24 -159.51 4.48 -8.76 -0.43 0
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449804 135301659 1 SF3N4C23H25 AB3C4D23E25 -103.13 7.1 -8.91 -0.61 0
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449805 135301665 1 N3C13H19 A3B13C19 21.06 2.9 -8.24 0.12 0
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449806 135301686 1 O2N4C23H30 A2B4C23D30 -34.4 1.14 -8.45 -0.21 0
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449807 135301696 1 ON3F4H9C10 AB3C4D9E10 -167.28 4.42 -9.42 -1.48 0
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449808 135301698 1 ON3C15H21 AB3C15D21 41.76 4.1 -8.36 -0.31 0
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449809 135301711 1 ON3C17H21 AB3C17D21 63.73 5.34 -8.36 -0.02 0
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449810 135301732 2 FO4N5C25H32 AB4C5D25E32 -314.01 8.97 -8.23 -0.68 0
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449811 135301734 1 FN8C29H29 AB8C29D29 167.42 9.13 -8.33 -1.81 0
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449812 135301740 1 O2N4C17H26 A2B4C17D26 -81.68 2.35 -8.6 -0.28 0
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449813 135301764 1 FOSN5C19H24 ABCD5E19F24 -40.39 4.02 -8.73 -0.37 0
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449814 135301776 1 N2C17H24 A2B17C24 28.61 1.02 -8.2 0.13 0
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449815 135301780 1 NF3O3C8H12 AB3C3D8E12 -294.69 2.7 -10.23 -0.48 0
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449816 135301802 2 NOC13H25 ABC13D25 -173.19 3.74 -8.94 0.62 0
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449817 135301812 1 N4C13H20 A4B13C20 27.75 3.66 -8.54 -0.08 0
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449818 135301826 2 FNOH5C6 ABCD5E6 -80.79 4.6 -10.43 -1.5 0
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449819 135301830 1 ION3C14H18 ABC3D14E18 28.47 3.48 -8.61 -0.79 0
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449820 135301843 2 ON2C9H14 AB2C9D14 -93.85 3.13 -8.82 -0.03 0
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449821 135301846 1 N3O3C19H29 A3B3C19D29 -134.32 3.11 -7.98 0.14 0
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449822 135301848 1 ON3C14H21 AB3C14D21 -29.18 3.14 -8.57 0.5 0
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449823 135301854 1 N5C23H27 A5B23C27 71.28 2.68 -8.56 -0.99 0
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449824 135301866 2 N2O2C10H13 A2B2C10D13 -85.61 3.29 -9.79 -0.55 0
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449825 135301871 1 OF2N2C12H12 AB2C2D12E12 -76.86 4.72 -9.08 -1.17 0
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449826 135301892 1 N3C20H21 A3B20C21 104.31 1.82 -8.2 -0.5 0
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449827 135301896 2 F4O4N5C26H31 A4B4C5D26E31 -593.23 9.81 -8.22 -1.32 0
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449828 135301946 1 N3C14H17 A3B14C17 85.6 2.38 -8.4 -0.24 0
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449829 135301968 1 ClNC13H16 ABC13D16 21.43 2.66 -9.18 0.07 0
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449830 135301969 1 O2N3C20H31 A2B3C20D31 -108.36 0.78 -9.13 0.23 0
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449831 135301978 1 NOH9C10 ABC9D10 34.03 3.64 -10.14 -0.96 0
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449832 135301991 1 O5F7N9C42H48 A5B7C9D42E48 -407.45 5.02 -8.7 -0.68 0
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449833 135301998 1 O2N3C18H21 A2B3C18D21 5.79 5.22 -8.36 -0.16 0
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449834 135302004 1 O4N5F7C22H28 A4B5C7D22E28 -498.32 4.78 -9.3 -0.92 0
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449835 135302019 1 F2N7O7C29H43 A2B7C7D29E43 -358.56 5.04 -8.61 -0.47 1
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449836 135302028 1 PO4N6C16H24 AB4C6D16E24 -110.92 4.13 0.0 0.0 0
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449837 135302031 1 ClN2O7C16H25 AB2C7D16E25 -302.99 3.72 -9.79 -0.15 0
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449838 135302039 1 NO5C52H105 AB5C52D105 -455.51 2.33 -8.71 0.84 0
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449839 135302043 1 SN7O15C28H47 AB7C15D28E47 -663.64 2.64 -9.7 -0.4 0
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449840 135302049 1 ClFO3N4H22C25 ABC3D4E22F25 -69.48 8.71 -8.99 -1.5 0
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449841 135302055 1 OC21H26 AB21C26 -10.22 1.68 -8.57 -0.44 0
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449842 135302059 1 OSF3N3C19H20 ABC3D3E19F20 -57.19 5.07 -7.38 -0.68 0
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449843 135302062 1 SN4O6C18H18 AB4C6D18E18 -186.53 8.02 -9.37 -0.95 0
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449844 135302063 1 NO2C9H19 AB2C9D19 -130.8 3.5 -9.48 1.48 0
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449845 135302066 1 NO2C11H19 AB2C11D19 -96.46 4.33 -9.22 1.21 0
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449846 135302069 1 NO3C11H21 AB3C11D21 -148.91 2.88 -9.24 0.97 0
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449847 135302090 1 NO2C11H21 AB2C11D21 -120.3 3.22 -9.09 1.16 0
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449848 135302091 1 FNOC10H18 ABCD10E18 -124.75 2.78 -9.4 1.18 0
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449849 135302093 1 NO2C11H21 AB2C11D21 -116.18 2.91 -9.25 0.92 0
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449850 135302097 1 NO2C11H19 AB2C11D19 -104.69 3.65 -9.19 1.09 0
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449851 135302119 1 NOC11H21 ABC11D21 -83.59 4.54 -9.12 1.45 0
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449852 135302121 1 N2O2C11H16 A2B2C11D16 -55.9 4.41 -9.34 -0.48 0
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449853 135302126 1 ON2C14H18 AB2C14D18 50.53 1.9 -9.21 -0.39 0
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449854 135302127 2 NOC6H9 ABC6D9 -44.98 2.21 -9.39 -0.51 0
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449855 135302136 2 ON2C6H8 AB2C6D8 8.15 2.15 -9.56 -0.79 0
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449856 135302139 1 NOC11H19 ABC11D19 -51.52 4.45 -9.04 1.35 0
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449857 135302140 1 N2O2C11H18 A2B2C11D18 -60.91 1.14 -9.28 -0.42 0
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449863 135302160 2 NOSH6C7 ABCD6E7 0.8 5.93 -9.24 -1.26 0
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449864 135302162 2 NSH6C7 ABC6D7 76.9 2.2 -8.76 -0.76 0
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449865 135302166 1 NCl2H9C13 AB2C9D13 97.36 3.42 -9.51 -1.2 0
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449866 135302167 1 BrFSN3C10H11 ABCD3E10F11 -0.31 2.8 -9.38 -0.76 0
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449868 135302178 1 ClSO2F4N4H23C27 ABC2D4E4F23G27 -112.71 3.18 -9.06 -1.58 0
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449871 135302193 1 FON9H30C35 ABC9D30E35 145.87 11.61 -8.38 -1.93 0
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449872 135302194 1 FN9C31H32 AB9C31D32 142.43 6.27 -8.59 -2.06 0
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449873 135302199 1 FON9C34H34 ABC9D34E34 103.98 11.28 -8.39 -2.0 0
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449874 135302203 1 FON10C35H37 ABC10D35E37 105.78 5.14 -8.3 -1.92 0
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449875 135302204 1 FON8H25C28 ABC8D25E28 114.43 6.63 -8.61 -2.12 0
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449876 135302221 1 FN7H28C31 AB7C28D31 140.57 4.11 -8.6 -2.1 0
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449877 135302224 1 FON7H22C29 ABC7D22E29 127.52 7.83 -8.52 -2.01 0
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449878 135302226 1 FON7H24C30 ABC7D24E30 111.98 8.1 -8.52 -2.0 0
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449879 135302229 1 FN7H16C24 AB7C16D24 167.47 4.04 -8.7 -2.21 0
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449880 135302238 1 FON7H26C30 ABC7D26E30 111.26 6.25 -8.59 -2.06 0
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449881 135302247 1 FON6H23C32 ABC6D23E32 141.08 5.11 -8.68 -2.15 0
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449882 135302255 2 OH3C9 AB3C9 322.08 5.59 -9.17 -1.24 0
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449883 135302273 1 Cl2F3O4N5H18C21 A2B3C4D5E18F21 -184.71 3.6 -9.59 -2.03 0
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449884 135302275 1 F3O4N6H19C20 A3B4C6D19E20 -174.89 3.72 -8.51 -1.84 0
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449885 135302280 1 NC12H13 AB12C13 55.36 2.29 -7.66 -0.22 0
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449886 135302299 1 ClC11H13 AB11C13 57.77 2.11 -9.29 0.05 0
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449887 135302303 1 NOC12H17 ABC12D17 3.25 3.18 -8.82 -0.04 0
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449888 135302310 1 NO2H19C22 AB2C19D22 10.41 4.89 -8.43 -0.4 0
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449891 135302326 1 SO3N4C30H32 AB3C4D30E32 -34.35 6.88 -8.9 -1.01 0
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449892 135302344 1 SO3N4C29H30 AB3C4D29E30 -24.23 4.95 -8.7 -0.8 0
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449893 135302345 2 FON3H14C15 ABC3D14E15 -41.5 4.23 -8.76 -1.21 0
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449894 135302346 1 SO3N4C29H30 AB3C4D29E30 -31.13 5.64 -8.93 -1.02 0
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449895 135302348 1 F2N3O4H29C30 A2B3C4D29E30 -173.21 2.89 -9.23 -1.26 0
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449896 135302367 1 ISO3N4C24H33 ABC3D4E24F33 -133.01 7.65 -8.81 -2.1 0
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449897 135302381 1 FO3N5H24C28 AB3C5D24E28 -8.04 7.53 -9.29 -1.27 0
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449898 135302383 1 FO3N5H24C28 AB3C5D24E28 -8.26 6.29 -9.32 -1.35 0
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449899 135302394 1 ClN3O4H24C27 AB3C4D24E27 -62.75 4.04 -9.11 -1.36 0
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449900 135302395 1 SO2N7H27C28 AB2C7D27E28 103.32 7.09 -8.8 -0.89 0
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449901 135302398 1 SN4O4C25H26 AB4C4D25E26 -75.7 6.72 -9.07 -1.45 0
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449902 135302400 1 O2N5H27C30 A2B5C27D30 71.1 6.5 -9.14 -0.95 0