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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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177660 76209786 1 ClFN2O2H10C13 ABC2D2E10F13 -33.23 2.84 -9.04 -0.7 0
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177661 76209787 1 N2O3C14H18 A2B3C14D18 -112.71 8.18 -9.59 -0.17 0
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177662 76209788 1 ClN2O2C12H17 AB2C2D12E17 -47.14 4.01 -8.81 -0.49 0
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177663 76209789 1 ClO2N3C13H20 AB2C3D13E20 -37.5 4.36 -8.81 -0.46 0
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177664 76209799 1 ClO2N3H12C13 AB2C3D12E13 12.78 1.33 -8.99 -0.6 0
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177665 76210691 1 N2O5C11H18 A2B5C11D18 -224.22 6.42 -9.98 -0.9 1
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177666 76210749 1 BrO2N3C13H13 AB2C3D13E13 -30.43 4.55 0.0 0.0 0
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177667 76210914 1 BrNO2C14H16 ABC2D14E16 -37.52 2.96 -9.71 -0.63 0
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177668 76210931 1 O2N5C12H23 A2B5C12D23 -16.39 3.71 -9.12 0.63 0
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177669 76211160 2 NOC8H10 ABC8D10 -24.29 6.82 -8.26 -1.21 0
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177670 76211289 1 BrNSO4H16C21 ABCD4E16F21 -91.45 7.97 -8.25 -1.15 -1
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177671 76211301 1 NH4O7C10 AB4C7D10 -152.22 2.69 0.0 0.0 0
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177672 76212366 1 ClSN2O5C22H23 ABC2D5E22F23 -186.98 7.51 -9.19 -0.5 0
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177673 76212404 1 NO11C27H31 AB11C27D31 -440.91 6.5 -9.29 -1.27 0
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177674 76212647 1 SN4O6H22C28 AB4C6D22E28 -25.97 4.82 -8.53 -1.47 -1
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177675 76212874 1 SO3N5H20C22 AB3C5D20E22 -0.01 10.42 0.0 0.0 -1
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177676 76212875 1 SO3N5H18C19 AB3C5D18E19 -26.68 8.84 0.0 0.0 0
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177677 76213198 1 SO3N4C27H34 AB3C4D27E34 -54.35 3.39 -8.5 -1.29 0
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177678 76213431 1 S2O4N7C14H15 A2B4C7D14E15 -4.77 8.16 -9.14 -2.32 0
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177679 76213432 1 ClSN2O4H15C24 ABC2D4E15F24 -54.51 8.54 -8.8 -1.85 0
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177680 76213838 1 FN3O3C33H36 AB3C3D33E36 -110.25 4.41 -8.34 -0.73 0
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177681 76214014 1 N2O2F3C15H17 A2B2C3D15E17 -232.76 7.18 -9.65 -0.54 0
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177682 76215288 1 FN5O8C26H26 AB5C8D26E26 -254.53 6.69 -8.81 -1.45 0
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177683 76215289 1 FSN3O9C22H24 ABC3D9E22F24 -379.27 3.26 -8.85 -1.55 0
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177684 76215290 1 FN4O8C30H31 AB4C8D30E31 -315.42 16.08 -8.58 -1.34 0