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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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23769 606036 2 OC6H8 AB6C8 -64.12 2.01 -8.33 0.12 0
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23770 606043 1 O2N3C14H21 A2B3C14D21 -41.26 5.65 -8.02 -0.06 0
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23771 606053 2 BrOC3H4 ABC3D4 -81.63 1.68 -10.7 -1.39 0
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23772 606054 1 BrN2O2C6H7 AB2C2D6E7 -44.4 2.51 -10.11 -0.9 0
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23773 606058 2 SH4C5 AB4C5 72.95 0.01 -8.44 -0.72 0
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23774 606060 2 SH4C5 AB4C5 68.41 0.18 -8.76 -0.96 0
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23775 606061 1 OSN2H8C9 ABC2D8E9 6.06 6.04 -9.36 -1.14 0
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23776 606063 3 H4C5 A4B5 66.69 0.67 -8.6 -0.53 0
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23777 606069 1 ClN2H9C10 AB2C9D10 39.14 6.44 -8.8 -0.36 0
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23778 606071 1 NO2C14H21 AB2C14D21 -99.54 5.99 -8.53 -0.14 0
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23779 606074 2 NSC11H14 ABC11D14 57.58 2.04 -8.44 0.18 0
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23780 606082 1 NO2C13H19 AB2C13D19 -109.05 4.49 -9.56 -0.03 0
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23781 606084 1 NO3C18H21 AB3C18D21 -93.59 5.93 -9.0 0.03 0
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23782 606086 1 SF3N3O4C18H22 AB3C3D4E18F22 -297.97 5.1 -9.12 -0.75 0
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23783 606087 2 NO2C9H10 AB2C9D10 -42.69 7.9 -8.44 -0.78 0
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23784 606089 1 NO4C18H21 AB4C18D21 -135.14 6.8 -8.71 0.11 0
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23785 606090 1 SO2N3C14H19 AB2C3D14E19 -22.8 3.91 -9.17 -0.6 0
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23786 606092 1 ClNH16C21 ABC16D21 85.51 2.92 -8.87 -0.5 0
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23787 606093 1 BrNO2C17H18 ABC2D17E18 -28.43 3.42 -8.34 0.02 0
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23788 606095 1 N2O4C11H14 A2B4C11D14 -72.37 5.16 -9.59 -1.02 0
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23789 606097 2 NOCl2C8H8 ABC2D8E8 -78.98 1.03 -9.49 -0.66 0
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23790 606098 2 ClO2C6H7 AB2C6D7 -194.51 5.09 -9.64 -1.12 0
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23791 606099 2 NOC12H18 ABC12D18 -83.86 4.0 -8.51 0.14 0
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23792 606102 1 N2O3C17H24 A2B3C17D24 -111.23 4.75 -8.18 0.23 0
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23793 606103 1 NO5H11C12 AB5C11D12 -96.15 5.55 -10.41 -1.99 0
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23794 606104 1 OSiN3C12H19 ABC3D12E19 -6.14 6.1 -8.06 -0.82 0
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23795 606106 1 NO4H9C10 AB4C9D10 -54.62 3.71 -10.49 -1.89 0
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23796 606107 1 OSN3C14H19 ABC3D14E19 -4.46 1.9 -9.63 -1.24 0
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23797 606108 1 NOC13H23 ABC13D23 -62.46 2.59 -8.59 2.62 0
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23798 606110 1 O2N5C10H13 A2B5C10D13 -20.73 9.12 -9.17 -1.42 0
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23799 606112 1 N2H12C15 A2B12C15 85.96 4.31 -9.42 -1.02 0
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23800 606113 1 FNOC13H16 ABCD13E16 -70.83 5.21 -8.36 -0.38 0
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23801 606117 1 NO2C17H19 AB2C17D19 -41.9 8.62 -8.61 -0.35 0
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23802 606118 1 C21H22 A21B22 54.84 0.42 -8.84 0.31 0
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23803 606119 1 N2O5H12C13 A2B5C12D13 -188.02 2.87 -9.43 -0.68 0
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23804 606120 1 N2O3C12H14 A2B3C12D14 -54.38 1.52 -8.74 -0.55 0
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23805 606125 1 BrFNO3C19H19 ABCD3E19F19 -125.08 2.64 -8.37 -0.39 0
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23806 606126 1 FNOC14H18 ABCD14E18 -76.03 6.42 -8.38 -0.39 0
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23807 606127 1 NC17H17 AB17C17 48.08 3.2 -8.64 -1.06 0
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23808 606128 1 O5C12H14 A5B12C14 -194.31 7.16 -9.73 -0.61 0
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23809 606140 1 NO5C14H19 AB5C14D19 -104.39 9.64 -8.59 -0.88 0
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23810 606145 1 FNO2C17H18 ABC2D17E18 -80.06 3.25 -8.38 0.05 0
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23811 606147 1 NiO2C15H23 AB2C15D23 19.37 6.3 0.0 0.0 -5
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23812 606148 1 SN4C16H16 AB4C16D16 61.4 3.23 -8.26 -0.28 0
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23813 606151 1 NO3C19H23 AB3C19D23 -77.64 4.38 -8.09 0.21 0
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23814 606152 1 NO4C18H19 AB4C18D19 -114.77 8.32 -8.5 -0.5 0
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23815 606194 1 ON2C16H16 AB2C16D16 3.61 4.55 -8.99 -0.26 0
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23816 606199 1 O4N5H7C8 A4B5C7D8 -94.87 12.55 -10.12 -1.85 0
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23817 606206 1 N2S2H16C17 A2B2C16D17 101.8 6.27 -8.5 -1.07 0
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23818 606211 1 NO3C10H11 AB3C10D11 -100.13 5.72 -8.64 -0.29 0