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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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7727 73826 1 NO3C10H11 AB3C10D11 -98.99 1.63 -9.15 -0.74 0
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7728 73827 1 ClO2N4C6H7 AB2C4D6E7 -50.55 3.29 -9.0 -0.81 0
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7729 73828 1 Cl2O2N3H5C6 A2B2C3D5E6 -47.0 2.25 -9.38 -1.54 0
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7730 73831 1 O4C9H14 A4B9C14 -178.9 3.15 -10.84 -0.55 0
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7731 73835 1 OSC14H30 ABC14D30 -109.29 2.7 -8.83 0.49 0
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7732 73837 1 NC9H13 AB9C13 0.56 1.74 -9.13 0.27 0
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7733 73838 1 BrClNC10H15 ABCD10E15 -30.78 4.75 -9.08 0.23 0
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7734 73840 1 NOC9H17 ABC9D17 -66.16 3.49 -8.94 0.71 0
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7735 73843 1 ClC9H11 AB9C11 -4.68 2.56 -9.33 -0.05 0
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7736 73846 2 H2O2C3 A2B2C3 -110.23 3.47 -10.37 -1.74 0
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7737 73852 1 O4H10C13 A4B10C13 -127.11 2.29 -9.41 -0.87 0
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7738 73856 1 N2O4C11H22 A2B4C11D22 -215.84 1.93 -10.54 0.64 0
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7739 73857 1 N2O4C7H14 A2B4C7D14 -199.61 4.12 -10.6 0.64 0
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7740 73859 1 ON2C21H26 AB2C21D26 -17.78 2.82 -8.62 0.15 0
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7741 73866 1 ClSiF3C5H10 ABC3D5E10 -244.95 1.73 -10.3 0.21 0
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7742 73872 1 NC16H17 AB16C17 36.07 2.25 -8.11 -0.17 0
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7743 73882 1 NPO8C39H78 ABC8D39E78 -563.49 4.73 -8.8 0.4 0
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7745 73885 1 C7H10 A7B10 9.98 0.26 -8.59 0.69 0
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7746 73900 1 PS2O3C11H15 AB2C3D11E15 -188.52 2.76 -9.28 -0.98 0
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7747 73905 1 OPC2Cl2H5 ABC2D2E5 -116.46 2.97 -10.08 0.1 0
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7748 73955 1 OC9H12 AB9C12 -32.64 1.39 -8.47 0.36 0
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7749 73957 1 ClNO3C17H28 ABC3D17E28 -151.08 2.05 -8.34 0.09 0
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7750 73958 1 OC7H10 AB7C10 -42.65 4.92 -9.77 0.03 0
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7752 73961 1 NO4C9H17 AB4C9D17 -199.8 2.32 -9.64 0.52 0
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7753 73969 1 MgSeH2 ABC2 32.25 1.28 -7.44 -1.94 0
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7754 73976 1 PtO2 AB2 64.54 0.0 -11.35 -2.31 0
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7755 74067 1 OC6H10 AB6C10 -36.87 3.23 -10.03 0.64 0
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7756 74088 1 O3C4H4 A3B4C4 -92.32 2.44 -10.88 -1.62 0
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7757 74089 1 OCl2C5H8 AB2C5D8 -79.76 1.52 -10.87 -0.36 0
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7758 74095 2 OC3H5 AB3C5 -87.59 1.71 -10.2 0.75 0
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7759 74096 1 O2C7H12 A2B7C12 -92.36 2.04 -10.2 0.79 0
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7760 74097 2 OC9H18 AB9C18 -153.28 4.01 -9.77 1.04 0
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7761 74099 1 FO3C9H9 AB3C9D9 -151.64 3.11 -9.2 -0.35 0
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7762 74100 1 FON2H9C14 ABC2D9E14 15.63 3.91 -9.4 -1.3 0
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7763 74101 1 FNOH10C13 ABCD10E13 -35.59 1.91 -8.62 -0.51 0
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7764 74102 1 F2O2H4C7 A2B2C4D7 -152.75 4.25 -10.81 -1.21 0
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7765 74103 1 F2O2H4C7 A2B2C4D7 -153.08 3.28 -9.71 -0.59 0
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7766 74106 1 BrClFNO2H10C15 ABCDE2F10G15 -87.13 3.05 -9.16 -1.2 0
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7767 74107 1 OC10H14 AB10C14 -36.94 1.44 -8.51 0.38 0
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7768 74108 1 ClC10H13 AB10C13 -19.87 2.23 -9.09 0.13 0
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7769 74109 1 OC14H14 AB14C14 -3.1 1.55 -9.24 0.24 0
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7770 74110 1 NSi3C9H27 AB3C9D27 -153.52 0.01 -8.96 1.58 0
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7771 74112 1 O7C9H14 A7B9C14 -311.53 2.58 -10.7 0.18 0
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7772 74114 2 ClOC2H2 ABC2D2 -98.76 4.97 -10.9 -0.67 0
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7773 74115 1 N2O4H6C7 A2B4C6D7 -70.8 8.37 -9.91 -1.58 0
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7774 74118 1 BrMgC7H7 ABC7D7 -13.96 2.0 -8.65 -0.32 0
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7775 74119 1 O6C7H10 A6B7C10 -283.68 5.42 -11.23 -0.67 0
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7776 74121 1 SN2O2C22H40 AB2C2D22E40 -115.17 6.37 -9.21 -0.5 0
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7777 74124 1 SiO2C10H24 AB2C10D24 -203.01 2.65 -9.31 1.46 0
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7778 74126 1 ClC9H9 AB9C9 23.23 2.11 -9.25 -0.38 0
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7779 74127 2 Br2H3C4 A2B3C4 28.5 0.07 -9.86 -1.5 0
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7780 74128 1 OH10C11 AB10C11 -7.9 2.02 -9.01 -0.58 0
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7781 74131 1 PSCl2O2C10H13 ABC2D2E10F13 -156.62 4.6 -9.3 -0.74 0
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7782 74132 1 NSO6H15C21 ABC6D15E21 -161.16 5.89 -8.32 -1.71 0
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7783 74133 1 N2O4H6C7 A2B4C6D7 5.18 3.68 -9.39 -1.89 0
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7784 74135 1 OC12H16 AB12C16 -46.63 1.4 -8.74 0.34 0
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7785 74136 1 NPO5H18C19 ABC5D18E19 -224.23 4.19 -8.61 -0.98 0
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7786 74138 22 CH2 AB2 -82.9 0.62 -9.88 1.37 0
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7787 74139 1 N4O4H6C7 A4B4C6D7 11.79 1.64 -9.94 -2.32 0
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7788 74141 1 SN3C7H17 AB3C7D17 0.25 3.27 -8.71 0.32 0
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7789 74143 1 SN2C4H6 AB2C4D6 25.18 1.35 -8.75 -0.16 0
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7790 74144 1 O2C7H10 A2B7C10 -54.61 1.57 -10.84 0.66 0
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7791 74145 2 NH3O3C7 AB3C3D7 -13.17 0.0 -11.35 -2.88 0
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7792 74152 1 OC6H10 AB6C10 -35.39 2.76 -9.88 -0.16 0
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7793 74153 1 SH2N2O2C3 AB2C2D2E3 42.89 5.28 -10.44 -2.03 0
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7794 74154 1 O3C6H10 A3B6C10 -80.42 4.0 -10.18 0.65 0
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7795 74155 1 PO3C12H27 AB3C12D27 -223.1 3.48 -9.27 1.24 0
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7796 74160 1 NC15H26 AB15C26 -11.42 2.14 0.0 0.0 1
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7797 74161 2 SO2C5H9 AB2C5D9 -204.06 1.62 -9.26 -1.26 0
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7798 74164 1 NOC10H11 ABC10D11 -10.81 3.49 -8.86 -0.03 0
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7799 74170 1 NC5H5 AB5C5 58.56 4.21 -10.14 -0.84 0
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7800 74173 1 O2C9H14 A2B9C14 -98.64 2.56 -9.96 0.06 0
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7801 74174 2 OC4H7 AB4C7 -101.03 2.53 -10.07 0.03 0
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7802 74179 1 NOH11C13 ABC11D13 18.64 1.95 -9.86 -0.59 0
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7803 74184 1 SO2C30H46 AB2C30D46 -137.85 3.29 -8.35 0.14 0
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7804 74186 1 SO2H12C13 AB2C12D13 -42.82 4.51 -9.03 -0.65 0
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7805 74188 1 PC3O4H9 AB3C4D9 -253.91 3.48 -11.33 0.64 0
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7806 74192 1 ClSO2H9C12 ABC2D9E12 -37.31 7.48 -9.97 -1.31 0
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7807 74194 1 SiN4C8H24 AB4C8D24 -52.39 0.01 -7.49 1.59 0
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7808 74198 1 SN3C8H9 AB3C8D9 71.24 1.13 -8.76 -0.57 0
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7809 74199 1 NSiO3C10H21 ABC3D10E21 -229.03 5.85 -9.92 0.48 0
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7810 74204 1 NO2H9C11 AB2C9D11 -26.93 1.24 -9.67 -1.53 0
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7811 74205 1 SiC9H14 AB9C14 -14.78 0.87 -8.7 0.62 0
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7812 74206 1 ClSiH11C12 ABC11D12 -0.11 1.97 -9.64 -0.57 0
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7813 74228 1 ClNO2C11H16 ABC2D11E16 -100.95 6.43 -8.75 -0.92 0
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7814 74233 1 OC9H10 AB9C10 -31.85 2.35 -8.91 0.35 0
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7815 74237 1 FSO2H11C13 ABC2D11E13 -85.3 6.35 -10.06 -0.66 0
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7816 74240 1 BrC10H13 AB10C13 -9.02 1.81 -8.89 0.21 0
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7817 74256 1 PS3C36H75 AB3C36D75 -219.12 2.8 -8.28 -0.24 0
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7818 74263 1 NC13H17 AB13C17 -7.29 1.92 -8.77 0.39 0
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7819 74265 2 NC8H8 AB8C8 46.77 4.45 -8.88 -0.62 0
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7820 74268 1 O3C13H20 A3B13C20 -126.03 1.57 -9.78 0.02 0
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7821 74274 2 C5H6 A5B6 30.64 0.38 -9.32 0.43 0
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7822 74281 1 NO2H7C9 AB2C7D9 -42.61 4.54 -9.24 -0.88 0
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7823 74285 1 SN4O5C10H14 AB4C5D10E14 -182.65 2.83 -9.24 -0.7 0
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7824 74288 2 OC11H21 AB11C21 -186.66 2.5 -10.6 0.92 0
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7825 74289 1 ClON2C7H7 ABC2D7E7 -7.69 2.04 -9.94 -0.85 0
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7826 74290 1 H20C27 A20B27 135.0 0.05 -9.03 -0.13 0
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7827 74291 1 OC14H20 AB14C20 -45.48 3.09 -9.97 -0.52 0
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7828 74295 1 N2C9H14 A2B9C14 24.25 4.56 -11.55 1.18 0