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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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195120 78637932 2 N2O3C10H10 A2B3C10D10 -103.19 8.76 -9.41 -1.19 0
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195121 78637934 1 SO2N5C18H25 AB2C5D18E25 -53.52 5.43 -8.44 -0.43 0
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195122 78638087 1 FN2O5C22H25 AB2C5D22E25 -213.98 3.93 -8.06 -0.42 0
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195123 78638382 1 ClFNO3C20H21 ABCD3E20F21 -161.49 5.92 -9.38 -0.74 0
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195124 78638682 2 NO2C10H10 AB2C10D10 -90.62 1.91 -8.62 -0.94 0
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195125 78639006 1 ClFN2O5H16C18 ABC2D5E16F18 -208.47 7.75 -9.29 -0.63 0
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195126 78639324 1 BrNO4C15H20 ABC4D15E20 -167.43 3.31 -9.3 -0.3 0
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195127 78639504 1 SN3O4C21H21 AB3C4D21E21 -94.14 7.43 -9.27 -1.13 1
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195128 78639905 1 ON5C22H30 AB5C22D30 34.59 4.84 0.0 0.0 0
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195129 78639906 1 ON5C22H29 AB5C22D29 17.54 8.3 -7.94 -0.18 0
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195130 78641083 1 O2S2N3H15C16 A2B2C3D15E16 4.1 4.66 -9.22 -1.38 0
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195131 78641084 1 FO3N4C20H23 AB3C4D20E23 -123.57 10.71 -9.53 -1.09 0
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195132 78641408 1 OS3N5H15C16 AB3C5D15E16 91.76 8.15 -9.22 -1.1 0
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195133 78641761 1 N3O5C20H23 A3B5C20D23 -119.34 5.29 -8.94 -1.47 0
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195134 78641762 1 FO2S2N3C20H22 AB2C2D3E20F22 -52.05 3.72 -8.67 -0.56 0
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195135 78642163 1 FSN2O4C20H23 ABC2D4E20F23 -152.86 1.3 -9.32 -0.84 0
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195136 78642243 1 N2S3O4C17H20 A2B3C4D17E20 -143.22 4.78 -8.87 -1.05 0
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195137 78642268 1 OS2N4C18H22 AB2C4D18E22 5.24 4.81 -8.85 -1.05 0
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195138 78642388 1 N3O4C22H25 A3B4C22D25 -130.76 0.82 -8.64 -0.08 0
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195139 78642389 1 N2O4C19H22 A2B4C19D22 -61.24 4.88 -9.5 -1.33 0
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195140 78642603 1 ClF3O5H12C17 AB3C5D12E17 -302.74 3.31 -10.03 -1.56 0
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195141 78643031 1 SN2O4H18C19 AB2C4D18E19 -97.83 5.4 -8.51 -1.76 0
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195142 78643390 1 NF2O4H17C18 AB2C4D17E18 -215.41 4.05 -9.1 -0.71 0
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195143 78643619 1 N2O3H18C24 A2B3C18D24 61.95 4.89 -8.45 -2.11 0
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195144 78643630 1 N2O6H16C19 A2B6C16D19 -100.63 4.64 -8.9 -1.56 0