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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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412028 135084891 2 BrOH6C10 ABC6D10 -5.6 3.32 -8.86 -1.04 0
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412029 135084892 1 CuO4F6C23H36 AB4C6D23E36 -357.51 2.66 0.0 0.0 0
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412030 135084893 1 O2C19H32 A2B19C32 -114.46 0.9 -8.59 1.15 0
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412033 135084896 1 ZnBr2N2O2H48C54 AB2C2D2E48F54 126.63 2.91 -8.71 -1.62 0
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412034 135084897 1 BrON2F3C27H28 ABC2D3E27F28 -134.28 12.35 -8.42 -1.25 -4
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412036 135084899 1 NO3C23H45 AB3C23D45 -191.45 4.61 -8.84 0.15 0
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412037 135084900 1 SiO4C16H20 AB4C16D20 -138.43 1.25 -8.95 -0.07 0
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412039 135084902 1 ClN3O5C32H50 AB3C5D32E50 -282.86 9.96 -8.84 -0.59 0
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412040 135084903 1 N4O5C16H26 A4B5C16D26 -236.02 6.94 -9.16 -0.01 0
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412041 135084904 1 NO4C17H31 AB4C17D31 -239.32 3.21 -10.26 0.16 -1
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412042 135084905 1 IrC9H15 AB9C15 136.73 5.42 -9.19 -5.28 0
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412043 135084906 1 OC12H12 AB12C12 40.85 2.13 -9.24 -0.23 0
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412044 135084907 2 N3C5H8 A3B5C8 68.15 1.0 -7.99 0.28 0
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412045 135084908 1 SO2C13H22 AB2C13D22 -82.89 2.27 -8.3 0.4 0
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412046 135084909 1 ClO5C9H15 AB5C9D15 -232.22 3.17 -10.42 0.0 0
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412047 135084910 1 O2C9H14 A2B9C14 -77.64 2.05 -9.85 -0.16 0
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412048 135084911 1 IOC7H11 ABC7D11 -3.22 3.0 -9.49 -0.99 0
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412049 135084912 1 AlN2C8H13 AB2C8D13 24.07 2.15 -8.23 0.59 0
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412050 135084913 1 ZrC2S2F6O7 AB2C2D6E7 -693.21 3.7 -10.06 -2.07 0
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412052 135084915 2 AuClPO2C28H28 ABCD2E28F28 -56.24 33.63 -7.78 -2.28 0
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412053 135084916 2 AuClPO2H14C19 ABCD2E14F19 -2.36 7.45 -8.49 -1.87 0
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412054 135084917 1 BrN2C14H17 AB2C14D17 41.48 11.82 -8.22 -1.97 0
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412056 135084919 1 BRhP2F4C25H36 ABC2D4E25F36 -332.56 4.97 -7.39 -3.77 0
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412057 135084920 1 CuC2H2N2S2O4F6 AB2C2D2E2F4G6 -367.26 3.86 0.0 0.0 0
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412058 135084921 1 CoN2Cl4O4C28H34 AB2C4D4E28F34 -169.65 40.84 0.0 0.0 0