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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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398864 135035895 1 O5C20H26 A5B20C26 -170.31 3.09 -8.09 -0.24 0
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398865 135035897 1 NO3H27C28 AB3C27D28 -20.92 3.99 -8.08 0.04 0
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398866 135035899 1 NO4C17H21 AB4C17D21 -113.21 5.22 -7.81 0.12 0
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398867 135035910 2 OSiC9H17 ABC9D17 -142.01 2.41 -8.69 0.37 0
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398868 135035917 1 SN2O3H22C24 AB2C3D22E24 -2.79 6.72 -8.51 -0.55 0
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398869 135035919 1 NO6C19H25 AB6C19D25 -220.41 1.77 -9.46 0.15 0
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398870 135035935 1 NSO3H15C17 ABC3D15E17 -56.13 3.09 -8.89 -0.61 0
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398871 135035937 1 SnSi2O3C38H76 AB2C3D38E76 -292.47 2.34 -8.79 -0.55 0
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398872 135035942 1 SN2O7C23H30 AB2C7D23E30 -286.24 6.82 -9.87 -0.7 0
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398873 135035949 2 H51C73 A51B73 601.23 1.29 -7.61 -1.13 0
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398874 135035956 1 S2O3N4H24C25 A2B3C4D24E25 27.6 7.02 -8.42 -1.32 0
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398875 135035957 2 S2N3O3C17H18 A2B3C3D17E18 34.1 9.69 -7.3 -2.27 0
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398876 135035965 4 OC5H6 AB5C6 -110.35 3.01 -8.51 -1.25 0
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398877 135035966 1 NOH13C14 ABC13D14 11.73 7.07 -8.88 -0.5 0
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398878 135035986 2 O2C11H14 A2B11C14 -133.79 0.21 -9.55 0.18 0
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398879 135035991 1 OSN3F6H29C30 ABC3D6E29F30 -271.16 8.66 -8.71 -1.09 0
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398880 135035995 1 P2N9O15C27H33 A2B9C15D27E33 -657.94 8.46 -9.23 -1.88 0
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398881 135036017 1 NOH17C21 ABC17D21 53.79 3.38 -8.33 -0.37 0
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398882 135036025 1 O3C21H22 A3B21C22 -103.6 4.42 -9.61 -0.68 0
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398883 135036026 1 O4C21H22 A4B21C22 -140.76 4.17 -9.6 -0.77 0
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398884 135036027 1 O3C21H22 A3B21C22 -104.32 3.62 -9.63 -0.68 1
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398885 135036035 1 OC7H9 AB7C9 4.65 2.54 0.0 0.0 0
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398886 135036039 2 NOH12C14 ABC12D14 -3.14 6.88 -8.36 -0.61 0
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398888 135036076 1 O5C23H34 A5B23C34 -263.44 6.01 -9.28 0.7 0
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398889 135036088 1 NO3C18H25 AB3C18D25 -138.97 2.43 -9.01 -0.72 0
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398890 135036091 2 O2C9H9 A2B9C9 -108.09 4.39 -8.7 -0.16 -1
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398891 135036093 1 ClNC7H7 ABC7D7 23.04 3.7 0.0 0.0 0
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398892 135036098 1 P2O3H28C30 A2B3C28D30 -91.61 4.07 -9.79 -0.22 0
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398893 135036115 1 NOSC9H19 ABCD9E19 -74.32 2.57 -9.24 0.12 0
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398894 135036119 1 O9H26C28 A9B26C28 -301.23 5.59 -9.99 -0.85 0
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398895 135036120 1 O9H26C28 A9B26C28 -303.57 3.59 -9.88 -0.71 0
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398896 135036122 1 O9H26C28 A9B26C28 -302.4 2.69 -10.0 -0.85 0
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398897 135036134 1 NSO5C24H27 ABC5D24E27 -185.04 1.7 -9.65 -0.66 1
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398898 135036138 1 NO3C19H20 AB3C19D20 -87.66 3.41 0.0 0.0 0
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398899 135036139 1 NOSC23H23 ABCD23E23 18.83 3.32 -8.71 -0.22 0
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398900 135036154 1 Si2O3N4C22H38 A2B3C4D22E38 -171.76 7.75 -9.04 -1.25 -1
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398901 135036157 1 NYO5H22C27 ABC5D22E27 -84.12 8.74 -5.72 -1.54 0
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398902 135036166 1 BrNO3H14C17 ABC3D14E17 117.24 6.11 -9.79 -1.43 0
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398904 135036171 1 NO3C5H7 AB3C5D7 -101.05 4.14 -10.38 0.17 0
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398905 135036177 1 NC15H19 AB15C19 3.03 1.27 -7.91 0.39 0
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398907 135036188 1 ON2C15H16 AB2C15D16 14.79 3.15 -8.57 -0.13 0
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398908 135036198 1 O2N3H11C16 A2B3C11D16 107.43 5.4 -10.22 -1.54 0
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398909 135036200 1 NO2H29C37 AB2C29D37 59.03 2.98 -8.59 -0.62 0
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398911 135036213 1 P2N9O15C27H31 A2B9C15D27E31 -569.25 11.42 -9.45 -2.38 0
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398912 135036244 6 OH11C12 AB11C12 524.6 5.97 -5.58 -3.18 0
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398913 135036255 1 N2O3C10H10 A2B3C10D10 -43.84 2.95 -9.78 -0.66 0
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398914 135036265 1 ClNOSC17H18 ABCDE17F18 -18.44 2.05 -8.76 -0.26 0
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398915 135036267 1 BrNOSC17H18 ABCDE17F18 -6.34 3.16 -8.79 -0.33 0
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398916 135036270 1 O7C12H18 A7B12C18 -333.71 2.27 -10.42 0.48 0
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398917 135036271 2 O3C10H14 A3B10C14 -277.95 2.45 -8.77 0.37 0