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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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398812 135035557 1 NO2C16H17 AB2C16D17 -36.34 1.9 -8.38 -0.32 0
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398813 135035560 1 N2O4C19H22 A2B4C19D22 -136.91 5.01 -8.88 -0.07 0
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398814 135035564 1 N3O6C25H31 A3B6C25D31 -199.11 4.51 -9.07 -1.11 0
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398815 135035568 1 N2O3C19H20 A2B3C19D20 -74.22 6.24 -8.26 0.0 0
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398816 135035577 1 NO7H21C23 AB7C21D23 -219.23 6.14 -8.94 -1.01 -1
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398817 135035580 1 NPdO2C13H18 ABC2D13E18 71.03 5.13 0.0 0.0 0
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398818 135035596 1 NC18H19 AB18C19 62.96 1.99 -8.21 0.38 0
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398819 135035597 2 FNC10H11 ABC10D11 -22.23 2.52 -8.83 -0.35 0
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398820 135035599 1 O3C21H28 A3B21C28 -123.3 3.82 -9.61 -0.23 0
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398821 135035601 1 N2S2O5C25H28 A2B2C5D25E28 -180.27 3.7 -8.85 -1.49 0
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398822 135035610 1 BrNSO2H26C31 ABCD2E26F31 41.44 4.14 -8.36 -0.68 0
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398823 135035612 1 BrNO4H22C24 ABC4D22E24 -98.42 6.31 -9.76 -0.96 0
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398824 135035614 1 PO3H17C20 AB3C17D20 7.32 5.31 -9.65 -0.87 0
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398825 135035621 1 NO2C21H21 AB2C21D21 -44.61 1.46 -8.21 0.15 0
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398826 135035624 2 ON2C15H18 AB2C15D18 -1.13 9.58 -8.2 -0.94 0
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398827 135035626 1 OS2H30C32 AB2C30D32 51.78 2.57 -8.32 -0.35 0
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398828 135035640 2 O4H13C14 A4B13C14 -203.23 11.39 -9.05 -1.71 0
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398829 135035648 1 O3C17H20 A3B17C20 -122.51 2.93 -8.39 -0.07 0
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398830 135035649 1 N2C21H28 A2B21C28 35.1 2.8 -8.67 0.17 0
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398831 135035650 1 NSO5C28H43 ABC5D28E43 -206.67 6.15 -8.85 -0.39 0
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398832 135035651 1 NSO5C28H41 ABC5D28E41 -229.88 5.3 -9.48 -0.3 0
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398833 135035652 1 NSO4C28H39 ABC4D28E39 -149.19 8.63 -8.69 -0.54 0
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398835 135035654 1 SN3O6C30H43 AB3C6D30E43 -179.98 5.42 -8.81 -0.68 1
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398836 135035655 1 SN3O6C30H44 AB3C6D30E44 -9.29 5.98 0.0 0.0 0
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398837 135035661 1 NO5C19H25 AB5C19D25 -177.18 3.68 -9.35 0.01 0
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398838 135035665 1 O9H26C28 A9B26C28 -302.73 4.14 -9.96 -0.82 0
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398839 135035681 1 N3O5C18H25 A3B5C18D25 -179.49 4.89 -9.0 -0.02 0
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398840 135035699 1 ClON3H14C21 ABC3D14E21 58.0 4.33 -8.67 -1.13 0
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398841 135035703 1 N3O5C16H25 A3B5C16D25 -227.74 1.88 -9.34 -0.6 0
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398842 135035705 6 OC3H4 AB3C4 -271.31 2.01 -8.8 0.49 0
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398843 135035708 1 ClMgOC5H11 ABCD5E11 -83.92 6.68 -9.54 -0.09 0
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398844 135035716 1 NO2C9H13 AB2C9D13 -51.0 3.83 -9.36 0.09 0
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398845 135035728 1 NSnO5C41H59 ABC5D41E59 -172.93 7.15 -8.9 -0.16 0
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398846 135035731 1 SnO5C18H38 AB5C18D38 -266.47 3.13 -9.31 0.62 0
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398847 135035736 1 ON2H8C10 AB2C8D10 61.91 2.92 -9.66 -0.66 0
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398848 135035753 1 NO4C17H19 AB4C17D19 -106.9 7.13 -9.92 -0.49 0
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398849 135035759 1 ON2H17C22 AB2C17D22 64.63 3.55 0.0 0.0 0
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398850 135035761 2 OF7H10C17 AB7C10D17 -679.79 9.12 -9.09 -1.68 0
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398851 135035762 1 NO2C16H27 AB2C16D27 -94.79 2.3 -9.02 1.6 0
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398852 135035764 1 SCl2N2H18C19 AB2C2D18E19 60.79 3.23 -9.07 -0.53 0
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398853 135035768 1 NO3H13C17 AB3C13D17 16.14 7.2 -9.64 -1.57 0
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398854 135035773 1 BrNO2F3H9C18 ABC2D3E9F18 -120.26 2.36 -9.13 -1.66 1
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398855 135035787 5 OC4H5 AB4C5 -167.8 4.06 0.0 0.0 0
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398856 135035805 1 NO3H13C16 AB3C13D16 -55.85 7.65 -9.54 -1.37 0
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398857 135035841 1 NOC12H19 ABC12D19 -48.88 1.96 -8.21 0.32 0
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398858 135035862 1 SN3O5C28H33 AB3C5D28E33 -103.41 6.43 -8.83 -0.62 0
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398859 135035868 1 ON2H18C20 AB2C18D20 29.62 3.2 -8.34 0.06 0
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398860 135035870 1 N2O2H20C23 A2B2C20D23 36.15 4.18 -8.68 -0.58 0
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398861 135035874 1 SO5C11H12 AB5C11D12 -183.42 3.23 -8.79 -1.0 0
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398863 135035891 2 NO2C11H11 AB2C11D11 -101.51 3.14 -7.56 -0.53 0