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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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128797 51058268 1 NOF4H13C16 ABC4D13E16 -215.15 1.92 -9.36 -0.64 0
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128798 51058269 1 ClFNOH15C16 ABCDE15F16 -67.54 2.44 -9.32 -0.32 0
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128799 51058436 1 ClINOC9H9 ABCDE9F9 -23.99 5.53 -9.02 -1.81 0
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128800 51058462 1 IOCl2N3H12C16 ABC2D3E12F16 46.12 6.81 -8.58 -1.77 1
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128801 51058463 1 OCl2N3H12C16 AB2C3D12E16 32.44 4.8 0.0 0.0 0
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128802 51058482 1 Cl2N3O6H9C13 A2B3C6D9E13 -66.56 3.29 -9.49 -2.52 0
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128803 51058483 1 N3O7H11C12 A3B7C11D12 -86.04 7.38 -9.77 -2.24 0
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128804 51058484 3 NO2C5H5 AB2C5D5 -66.92 5.03 -9.46 -2.31 0
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128805 51058485 1 BrFNOH15C21 ABCDE15F21 -0.78 5.57 -7.75 -1.59 0
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128806 51058514 1 NO4C10H13 AB4C10D13 -170.6 9.19 -9.77 -0.61 0
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128807 51058577 1 ClO4N5C14H24 AB4C5D14E24 -190.79 3.34 -8.96 -0.91 0
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128808 51058768 1 ClSN3O5C20H20 ABC3D5E20F20 -149.24 4.96 -8.94 -1.52 0
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128809 51058788 1 FCl2N2O2H9C16 AB2C2D2E9F16 -67.87 2.2 -9.4 -1.59 0
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128810 51058864 1 ON2H18C24 AB2C18D24 92.98 1.5 -9.51 -0.68 0
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128811 51059171 1 BrN2O2C17H23 AB2C2D17E23 -99.2 7.18 -8.75 -0.57 0
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128812 51059189 1 OSN2H14C16 ABC2D14E16 55.54 1.88 -7.69 -0.43 0
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128813 51059207 1 SN2H16C17 AB2C16D17 68.34 4.11 -8.31 -0.29 0
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128814 51059302 1 ON3H21C28 AB3C21D28 89.7 5.5 -8.14 -0.86 0
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128815 51059316 1 ClN4O4H21C25 AB4C4D21E25 -26.19 8.33 -8.7 -1.87 0
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128816 51059358 1 S2O4N5C22H25 A2B4C5D22E25 -50.01 5.8 -8.76 -0.54 0
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128817 51059519 1 Cl2N2O3H10C18 A2B2C3D10E18 -31.95 2.82 -9.6 -1.72 0
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128818 51059546 1 O4N7C25H29 A4B7C25D29 -60.97 3.11 -9.15 -0.6 0
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128819 51059569 1 ClN4H15C17 AB4C15D17 113.67 2.53 -8.4 -1.43 0
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128820 51059570 1 NF3O8H16C22 AB3C8D16E22 -369.89 4.67 -8.72 -1.44 0
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128821 51059586 1 SN2O6H10C15 AB2C6D10E15 -90.36 3.83 -10.37 -1.56 1