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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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166117 74640471 1 ClSN2O5C20H21 ABC2D5E20F21 -159.07 5.63 -9.09 -1.39 0
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166118 74640530 1 N3O5C24H25 A3B5C24D25 -110.22 2.45 -8.71 -0.78 0
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166119 74640531 1 ClSN2O6C20H21 ABC2D6E20F21 -181.11 5.79 -9.24 -1.17 0
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166120 74640532 1 INO4H16C18 ABC4D16E18 -87.39 7.57 -8.98 -1.14 0
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166121 74640533 1 SN2O6C21H24 AB2C6D21E24 -187.6 5.51 -9.09 -1.03 0
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166122 74640615 1 NSO5C19H29 ABC5D19E29 -223.56 7.47 -9.21 -0.75 0
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166123 74640616 1 FON5C21H22 ABC5D21E22 17.2 3.76 -9.22 -0.23 0
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166124 74640909 1 FNO4C22H26 ABC4D22E26 -151.87 6.19 -8.31 -0.27 -1
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166125 74641006 1 BrNO4H13C17 ABC4D13E17 -60.83 8.82 0.0 0.0 0
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166126 74641055 1 BrN2O4H21C24 AB2C4D21E24 -61.77 1.48 -8.29 -1.03 0
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166127 74641063 1 BrN2O3H21C24 AB2C3D21E24 -39.13 1.6 -8.76 -0.99 0
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166128 74641064 1 BrN2O4H23C25 AB2C4D23E25 -74.65 3.21 -8.43 -0.8 0
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166129 74641065 1 BrN2O4H23C25 AB2C4D23E25 -81.9 5.94 -8.61 -0.68 0
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166130 74641502 1 N3O4H21C27 A3B4C21D27 11.93 3.3 -8.84 -1.36 0
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166131 74641906 1 N2O5H22C25 A2B5C22D25 -103.6 6.27 -8.65 -0.73 -1
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166132 74642022 1 ClNSO3H9C14 ABCD3E9F14 -23.05 8.83 0.0 0.0 0
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166133 74642023 1 ClNSO3H10C14 ABCD3E10F14 -63.36 8.76 -9.52 -1.28 0
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166134 74642193 1 ClN2O4H23C25 AB2C4D23E25 -85.65 4.64 -8.38 -0.97 0
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166135 74642290 1 NO5C27H29 AB5C27D29 -134.12 3.68 -8.45 -0.26 0
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166136 74642426 1 INO3H22C24 ABC3D22E24 -35.86 4.65 -8.71 -1.09 0
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166137 74642429 1 NO3C25H25 AB3C25D25 -63.2 5.61 -8.79 -0.2 0
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166138 74642430 1 NO3C25H25 AB3C25D25 -63.68 5.37 -8.79 -0.16 1
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166139 74642563 1 SN2O2C21H29 AB2C2D21E29 -33.59 5.41 0.0 0.0 0
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166140 74642692 1 O2N3C25H31 A2B3C25D31 -32.61 2.74 -8.15 -0.42 0
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166141 74642693 1 NSO3C18H21 ABC3D18E21 -61.92 5.52 -9.31 -0.72 1