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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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27023 812617 1 O2N3C19H25 A2B3C19D25 -29.64 5.11 -9.55 -0.65 0
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27024 812619 1 O2N3C19H23 A2B3C19D23 -10.43 5.18 -9.36 -0.37 0
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27025 812830 1 ClO2N3C17H20 AB2C3D17E20 -29.16 2.6 -9.36 -0.71 0
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27026 812836 1 NO5H13C17 AB5C13D17 -129.42 2.33 -9.48 -1.41 0
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27027 812838 1 ClO2N3C16H18 AB2C3D16E18 -16.88 4.12 -9.59 -0.7 0
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27028 812847 1 N2H14C19 A2B14C19 85.83 0.62 -8.52 -0.76 0
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27029 812848 1 ClN3O3C17H20 AB3C3D17E20 -56.9 3.07 -9.0 -0.75 0
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27030 812849 1 ClN3O3C17H20 AB3C3D17E20 -58.29 5.45 -9.13 -0.92 0
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27031 812850 1 ClN3O3C17H20 AB3C3D17E20 -58.78 4.24 -9.01 -0.82 0
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27032 812983 1 N3O3C19H25 A3B3C19D25 -102.15 2.55 -8.88 -0.2 0
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27033 813067 1 Cl2O2N3H13C14 A2B2C3D13E14 -3.04 6.14 -9.64 -0.8 0
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27034 813068 1 Cl2O2N3H13C14 A2B2C3D13E14 -3.01 5.86 -9.65 -0.8 0
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27035 813075 1 NO2C12H17 AB2C12D17 -84.36 4.37 -8.91 -0.03 0
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27036 813081 1 O2N3H19C20 A2B3C19D20 25.71 6.3 -9.52 -0.64 0
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27037 813293 1 FSO2N3C16H18 ABC2D3E16F18 -84.48 6.24 -9.58 -1.03 0
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27038 813294 1 FSO2N3C16H18 ABC2D3E16F18 -81.82 5.47 -9.17 -0.79 0
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27039 813295 1 SO2N3C15H23 AB2C3D15E23 -80.67 3.29 -9.28 -0.73 0
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27040 813296 1 SO2N3C15H23 AB2C3D15E23 -73.39 1.82 -9.46 -0.74 0
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27041 813297 1 SO2N3C14H21 AB2C3D14E21 -64.03 5.72 -9.47 -1.01 0
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27042 813298 1 SO2N3C14H21 AB2C3D14E21 -63.63 5.83 -9.43 -1.01 0
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27043 813342 1 SO2N3C16H19 AB2C3D16E19 -38.75 4.43 -9.21 -0.64 0
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27044 813355 1 SO2N3C16H23 AB2C3D16E23 -59.45 7.18 -9.4 -0.88 0
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27045 813618 1 N3O3C17H21 A3B3C17D21 -62.17 6.44 -9.52 -0.32 0
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27046 813619 1 N3O3C17H21 A3B3C17D21 -54.13 3.12 -9.71 -0.34 0
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27047 813654 1 N4O5C15H16 A4B5C15D16 -47.33 7.65 -9.72 -1.77 0