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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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298551 117651048 1 NO2C16H27 AB2C16D27 -94.39 2.03 -11.03 -1.04 0
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298552 117651052 1 NO2S4C7H7 AB2C4D7E7 -25.06 8.66 -8.13 -0.83 0
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298553 117651053 1 NaN3O4C11H20 AB3C4D11E20 -177.71 23.7 -8.42 -1.15 0
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298554 117651056 1 NO3C18H31 AB3C18D31 -132.83 4.57 -10.08 -1.18 0
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298555 117651058 1 NO6C12H19 AB6C12D19 -208.36 3.24 -10.02 -1.35 0
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298556 117651071 1 O4C9H16 A4B9C16 -206.75 3.63 -10.23 0.33 0
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298557 117651084 2 O2C8H9 A2B8C9 -157.0 1.03 -9.88 -0.28 0
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298558 117651089 1 PF2N3O9C20H23 AB2C3D9E20F23 -435.76 5.1 0.0 0.0 0
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298559 117651092 1 O4C9H14 A4B9C14 -194.72 2.89 -11.05 0.06 1
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298560 117651096 1 FPN3O9C25H32 ABC3D9E25F32 -416.21 4.62 0.0 0.0 1
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298561 117651109 1 FPN6O8C21H25 ABC6D8E21F25 -271.8 7.16 0.0 0.0 0
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298562 117651114 2 O2C5H8 A2B5C8 -198.09 2.77 -10.98 0.05 0
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298564 117651128 1 PF3N3O9C21H24 AB3C3D9E21F24 -483.55 5.11 0.0 0.0 0
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298565 117651129 1 NCl2O3H7C8 AB2C3D7E8 -44.3 8.02 -10.1 -1.29 0
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298566 117651130 1 O3N4C12H18 A3B4C12D18 -21.97 1.75 -9.78 -0.47 0
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298567 117651161 1 NO10C12H23 AB10C12D23 -474.9 3.01 -10.34 0.14 0
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298570 117651179 1 NCl2O3C10H11 AB2C3D10E11 -62.59 8.91 -9.96 -1.15 0
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298572 117651236 1 NCl2O2C9H9 AB2C2D9E9 -13.98 6.87 -10.18 -1.4 0
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298573 117651237 1 O4C15H16 A4B15C16 -154.29 1.8 -9.68 -0.09 0
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298574 117651241 1 ClN2O3C17H19 AB2C3D17E19 -24.94 8.24 -8.93 -1.15 0
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298575 117651283 1 ClN2O3H13C14 AB2C3D13E14 -18.28 8.57 -8.91 -0.99 0
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298576 117651286 1 PO2C20H43 AB2C20D43 -231.41 2.54 -9.81 1.44 1
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298577 117651300 1 FPN3O9C21H26 ABC3D9E21F26 -402.26 4.07 0.0 0.0 0
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298578 117651301 1 O2N5C18H25 A2B5C18D25 -23.15 2.19 -8.83 -0.69 0
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298580 117651308 1 FON3C13H16 ABC3D13E16 -45.07 3.6 -9.01 -0.27 0