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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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381133 134971782 1 PO2H14C18 AB2C14D18 15.29 4.52 0.0 0.0 0
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381134 134971785 1 N2C31H32 A2B31C32 101.05 2.51 -8.58 0.1 0
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381135 134971786 1 ClCuN2C31H31 ABC2D31E31 129.3 4.15 0.0 0.0 0
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381136 134971787 1 N2C31H32 A2B31C32 101.77 2.21 -8.48 0.14 0
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381137 134971788 1 NOSC19H19 ABCD19E19 34.5 2.79 -9.06 -0.48 0
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381138 134971789 1 OC11H20 AB11C20 -66.5 1.71 -9.62 1.05 0
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381139 134971790 1 NSO4C22H27 ABC4D22E27 -138.66 5.07 -9.38 -0.55 0
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381140 134971791 1 NSO4C22H27 ABC4D22E27 -154.17 3.68 -9.26 -0.48 0
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381141 134971792 4 C3H5 A3B5 -2.63 0.61 -9.26 1.27 0
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381142 134971793 2 NO3C8H11 AB3C8D11 -184.76 3.82 -9.94 -1.43 0
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381143 134971794 1 NSO5C23H29 ABC5D23E29 -158.66 3.45 -9.12 -0.39 1
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381144 134971795 1 SN2O5C35H37 AB2C5D35E37 -93.07 2.42 0.0 0.0 1
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381145 134971796 1 SN2O5C35H37 AB2C5D35E37 -69.65 10.65 0.0 0.0 0
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381146 134971797 1 S2N4O6C31H34 A2B4C6D31E34 -175.53 2.67 -9.31 -1.8 0
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381147 134971798 1 BNO3C17H22 ABC3D17E22 -155.84 9.11 -9.26 0.0 0
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381148 134971799 1 N2O3H16C17 A2B3C16D17 -61.15 4.23 -10.02 -0.39 0
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381150 134971801 1 SiO7C38H56 AB7C38D56 -351.08 4.21 -8.88 0.04 0
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381151 134971802 1 SiO5C34H50 AB5C34D50 -249.13 1.3 -8.84 0.34 0
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381154 134971805 1 O7H16C18 A7B16C18 -230.26 5.6 -9.21 -1.17 0
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381155 134971806 1 SiO4C26H48 AB4C26D48 -269.86 4.57 -8.2 0.36 0
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381156 134971807 6 OC3H5 AB3C5 -251.5 3.34 -8.56 -0.01 0
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381157 134971808 1 ClOS2N4C16H17 ABC2D4E16F17 53.79 6.56 -8.47 -1.57 0
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381158 134971809 1 O3C13H16 A3B13C16 -84.25 1.04 -9.49 0.22 0
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381159 134971810 1 ClOS2N3H14C15 ABC2D3E14F15 40.8 3.43 -8.82 -1.11 0
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381160 134971811 1 ClOS2N3C10H14 ABC2D3E10F14 2.53 4.16 -8.7 -1.0 0
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381161 134971812 1 BrOF3C14H14 ABC3D14E14 -144.55 2.77 -9.71 -0.46 0
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381162 134971813 1 OF3C17H19 AB3C17D19 -165.85 3.12 -9.08 -0.2 0
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381163 134971814 1 O6C11H14 A6B11C14 -170.75 1.65 -9.54 -0.83 1
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381164 134971815 1 N2O2C10H11 A2B2C10D11 -20.22 7.91 0.0 0.0 0
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381165 134971816 1 SiO12C47H50 AB12C47D50 -430.88 6.74 -8.89 -0.75 0
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381166 134971817 1 BrO2N4H7C9 AB2C4D7E9 14.49 6.57 -9.94 -1.67 0
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381167 134971818 1 SiO3C15H32 AB3C15D32 -226.39 2.84 -9.66 0.98 0
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381168 134971819 1 NO3C17H21 AB3C17D21 -97.28 5.47 -9.65 0.04 0
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381169 134971820 1 NOLi2C9H9 ABC2D9E9 -58.26 7.26 -7.34 0.84 0
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381170 134971821 1 NOC9H11 ABC9D11 -14.2 0.76 -8.51 0.28 0
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381171 134971822 1 TeC6H12 AB6C12 -15.9 2.0 -7.87 0.52 0
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381172 134971823 1 Si2O6C21H44 A2B6C21D44 -420.89 3.19 -8.62 0.5 0
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381173 134971824 1 NO3C17H19 AB3C17D19 -94.26 4.61 -8.7 -0.11 0
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381174 134971825 1 IO2C29H49 AB2C29D49 -172.43 2.38 -8.55 -0.95 0
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381175 134971826 1 C27H46 A27B46 -25.71 1.83 -8.09 0.57 0
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381176 134971827 1 O2C27H48 A2B27C48 -187.5 4.15 -9.84 2.4 0
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381177 134971830 4 NO2C6H6 AB2C6D6 -219.59 2.47 -9.58 -1.02 0
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381178 134971831 1 SiN3O3C18H27 AB3C3D18E27 -103.01 5.47 -9.06 -1.07 0
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381179 134971832 1 NSiO5C17H31 ABC5D17E31 -256.15 4.38 -8.92 -0.3 0
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381180 134971833 1 SiN3O5C21H31 AB3C5D21E31 -184.37 3.92 -9.01 -0.93 1
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381181 134971834 1 NSO2C4H10 ABC2D4E10 -104.68 3.99 0.0 0.0 0
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381182 134971835 1 N3O6H15C17 A3B6C15D17 -142.1 1.91 -9.79 -1.1 0
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381184 134971837 1 NPO4C16H20 ABC4D16E20 -147.49 3.78 -9.0 0.08 0
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381185 134971840 1 NSO2C18H21 ABC2D18E21 -75.72 1.85 -8.06 -0.29 0
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381186 134971841 1 NSO2C16H17 ABC2D16E17 -55.82 3.24 -8.25 -0.55 0
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381187 134971842 1 NSO3C18H19 ABC3D18E19 -98.62 3.21 -8.42 -1.03 0
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381188 134971843 2 OC7H10 AB7C10 -103.23 1.77 -10.03 0.43 0
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381189 134971844 1 O3N4C10H10 A3B4C10D10 -2.76 1.43 -9.18 -1.23 -1
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381190 134971845 1 PO7C30H32 AB7C30D32 -219.44 3.81 0.0 0.0 0
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381191 134971846 1 PO7C30H33 AB7C30D33 -225.35 1.81 -8.5 -0.64 1
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381193 134971848 1 IC29H51 AB29C51 -92.37 2.99 -9.42 -0.49 0
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381194 134971849 1 O3C29H50 A3B29C50 -232.83 3.55 -10.12 0.8 0
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381195 134971850 1 IO2C31H53 AB2C31D53 -187.64 3.12 -9.46 -0.85 0
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381196 134971852 1 O3C15H26 A3B15C26 -188.19 3.05 -10.16 0.72 0
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381197 134971853 1 O2C27H48 A2B27C48 -184.34 4.03 -9.85 2.4 0
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381198 134971854 2 OC8H14 AB8C14 -149.83 2.46 -10.16 0.99 0
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381199 134971855 1 OF3C14H17 AB3C14D17 -185.08 4.08 -9.41 0.3 0
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381200 134971858 2 NOC13H14 ABC13D14 -31.92 2.04 -9.02 -0.23 0
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381201 134971859 1 NSO4C15H15 ABC4D15E15 -116.93 4.74 -9.82 -0.92 1
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381202 134971860 1 O4C12H13 A4B12C13 -121.95 4.9 0.0 0.0 0
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381203 134971861 1 O7H16C18 A7B16C18 -195.17 1.57 -9.76 -1.13 0
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381204 134971862 2 O3H4C5 A3B4C5 -219.74 7.23 -10.26 -1.42 0
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381205 134971863 1 O2F3H15C16 A2B3C15D16 -209.6 1.67 -9.86 -0.46 0
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381206 134971864 1 O5C16H22 A5B16C22 -152.6 2.1 -9.7 -0.37 0
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381207 134971865 1 O4C21H30 A4B21C30 -172.68 2.63 -9.31 0.37 -2
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381208 134971866 1 SC2H2O7 AB2C2D7 -181.02 2.21 -11.5 -1.81 0
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381209 134971870 1 O6C21H26 A6B21C26 -252.02 5.81 -10.15 -0.69 0
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381210 134971871 1 FeO4H16C17 AB4C16D17 -47.58 3.23 -8.7 -1.32 0
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381211 134971874 1 FeO6H24C25 AB6C24D25 -4.31 11.41 -7.17 -1.32 0
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381212 134971875 1 O6H19C20 A6B19C20 -171.92 1.15 0.0 0.0 0
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381213 134971877 1 O3H13C16 A3B13C16 -37.58 6.37 0.0 0.0 0
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381214 134971878 1 FeO3H20C22 AB3C20D22 141.36 19.02 -6.84 -2.29 0
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381215 134971879 1 O3H15C17 A3B15C17 -47.76 7.88 0.0 0.0 0
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381216 134971880 1 FeO4H20C22 AB4C20D22 -55.35 4.61 -8.7 -0.32 0
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381217 134971881 1 O4H15C17 A4B15C17 -80.12 6.78 0.0 0.0 0
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381218 134971882 1 FeO4C17H18 AB4C17D18 -47.61 4.91 -8.68 -0.72 0
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381219 134971883 1 FeSO3H16C19 ABC3D16E19 -17.1 5.66 -8.97 -1.24 0
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381220 134971884 1 SO3H11C14 AB3C11D14 -31.54 6.71 0.0 0.0 0
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381221 134971885 1 O2N3C21H23 A2B3C21D23 -5.59 2.69 -8.93 0.0 0
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381222 134971886 1 INO3C27H46 ABC3D27E46 -109.43 4.79 -9.81 -1.07 0
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381223 134971887 1 O2N5C8H9 A2B5C8D9 -23.39 9.95 -9.19 -0.65 1
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381224 134971889 1 O2C8H15 A2B8C15 -77.37 0.71 0.0 0.0 0
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381225 134971890 1 INO3H14C18 ABC3D14E18 -63.42 8.93 -9.18 -1.62 0
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381226 134971891 2 NOC11H11 ABC11D11 39.13 12.6 -7.19 -1.8 1
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381227 134971892 1 N2O3C28H31 A2B3C28D31 -26.12 1.68 0.0 0.0 0
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381228 134971895 1 NC16H17 AB16C17 22.9 1.79 -7.86 -0.07 0
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381229 134971896 1 NPO3C16H20 ABC3D16E20 -94.23 2.85 -8.75 -0.27 0
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381230 134971897 1 O6H38C45 A6B38C45 -96.98 3.87 -9.33 -0.54 0
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381231 134971898 1 O5H34C38 A5B34C38 -93.26 2.78 -9.36 -0.5 0
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381232 134971899 1 O5C35H36 A5B35C36 -134.63 1.52 -9.23 0.08 0
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381233 134971900 2 OC11H11 AB11C11 -28.09 2.08 -8.76 -0.12 0
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381234 134971901 1 ClPdC3H7 ABC3D7 2.4 5.29 -7.96 0.21 0
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381237 134971905 1 O5C23H32 A5B23C32 -227.97 5.52 -9.13 -0.24 0
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381238 134971906 1 NSO2C24H35 ABC2D24E35 -76.75 2.3 -8.52 0.3 0
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381239 134971907 1 NS2O5C18H31 AB2C5D18E31 -219.97 4.0 -8.5 -0.41 1