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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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139788 52595705 1 N2O3F4H14C16 A2B3C4D14E16 -295.98 4.3 -8.95 -0.59 0
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139789 52595722 1 N2F3O3C18H19 A2B3C3D18E19 -245.85 1.24 -8.84 -0.62 0
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139790 52595776 1 N2O2F3H13C15 A2B2C3D13E15 -187.85 3.94 -9.53 -0.52 0
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139791 52596019 1 O3N5H25C26 A3B5C25D26 -16.89 6.41 -8.81 -0.91 0
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139792 52596215 1 SO2N5C24H29 AB2C5D24E29 -19.23 8.03 -8.76 -0.53 1
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139793 52596216 1 SO2N5C24H30 AB2C5D24E30 -15.63 3.4 0.0 0.0 0
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139794 52596383 2 SN2O2C10H10 AB2C2D10E10 -88.39 7.36 -8.73 -0.89 0
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139795 52596384 1 FSO2N4H21C22 ABC2D4E21F22 -45.93 6.46 -8.75 -1.03 0
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139796 52596385 1 SO3N4C23H24 AB3C4D23E24 -34.79 8.62 -8.35 -0.89 0
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139797 52596615 1 SN3O4C18H27 AB3C4D18E27 -144.68 8.95 -8.93 -0.48 0
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139798 52596622 1 SN3O6C21H27 AB3C6D21E27 -176.09 11.15 -8.56 -0.44 0
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139799 52596988 1 N3O6C22H27 A3B6C22D27 -191.93 1.01 -8.62 -0.55 0
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139800 52597213 1 N3O3C19H23 A3B3C19D23 -92.58 6.34 -8.53 -0.11 1
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139801 52597663 1 N3O3C22H30 A3B3C22D30 -81.42 4.4 0.0 0.0 0
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139802 52598977 1 Br2O2N3H13C17 A2B2C3D13E17 22.26 2.86 -8.98 -0.87 1
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139803 52600191 1 SO2N5C25H26 AB2C5D25E26 19.2 14.89 0.0 0.0 0
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139804 52600522 1 N2O2C17H24 A2B2C17D24 -29.32 5.28 -9.34 -0.16 0
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139805 52600744 1 SO2N4C20H28 AB2C4D20E28 -26.45 1.68 -8.89 -0.52 0
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139806 52600892 1 ON3C11H17 AB3C11D17 46.23 1.75 -9.36 -0.24 0
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139807 52600893 1 ClSN2C17H19 ABC2D17E19 76.27 1.79 -9.1 -0.48 1
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139808 52600894 1 NOF3C14H17 ABC3D14E17 -109.64 22.73 0.0 0.0 0
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139809 52600895 1 NOF3C14H16 ABC3D14E16 -146.16 4.83 -9.2 -0.34 1
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139810 52600896 1 NF3C14H17 AB3C14D17 -89.65 7.66 0.0 0.0 0
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139811 52601044 1 O2F3N3H14C17 A2B3C3D14E17 -164.95 8.94 -9.24 -0.68 0
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139812 52601534 1 FN2O4C17H19 AB2C4D17E19 -82.01 6.97 -9.2 -1.31 1