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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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147171 53786824 1 N5O7C26H37 A5B7C26D37 -330.87 6.73 -8.67 -0.16 0
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147172 53786825 1 NO3C19H29 AB3C19D29 -130.8 3.07 -8.72 0.42 0
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147173 53786826 1 O4C13H18 A4B13C18 -166.39 7.58 -8.8 -0.18 0
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147174 53786827 1 FO6C34H41 AB6C34D41 -182.26 3.12 -8.53 -0.34 0
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147175 53786828 2 N5H9C12 A5B9C12 266.11 7.95 -10.15 -2.23 0
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147176 53786829 1 F3O3N4H19C24 A3B3C4D19E24 -173.96 7.41 -9.92 -1.13 0
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147177 53786830 1 ClN5O5C23H28 AB5C5D23E28 -145.55 5.7 -9.2 -0.5 0
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147178 53786831 1 S2N3O5H21C27 A2B3C5D21E27 -70.38 6.16 -8.69 -1.17 0
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147179 53786832 1 NSO2C10H19 ABC2D10E19 -77.29 4.29 -8.04 0.11 0
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147180 53786833 1 SN3O6C20H21 AB3C6D20E21 -139.44 2.51 -8.97 -1.02 0
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147181 53786835 1 NO3C6H11 AB3C6D11 -133.1 1.26 -9.89 -0.06 0
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147182 53786836 1 SN4O10H22C26 AB4C10D22E26 -245.43 8.32 -9.73 -2.04 0
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147183 53786837 1 N3C10H17 A3B10C17 12.59 3.52 -7.98 0.93 0
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147184 53786838 1 BrCl2C11H15 AB2C11D15 -6.88 2.37 -9.35 -0.26 0
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147185 53786839 5 OC4H6 AB4C6 -247.56 4.95 -8.82 0.12 0
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147186 53786840 1 ClS2N5O5C22H22 AB2C5D5E22F22 -105.96 6.57 -9.02 -1.59 0
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147187 53786841 1 ON6H26C30 AB6C26D30 118.11 5.19 -9.02 -0.63 0
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147188 53786842 1 SiO2C4H5 AB2C4D5 2.21 4.39 0.0 0.0 0
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147189 53786843 1 NC15H21 AB15C21 5.47 1.37 -7.76 0.51 0
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147190 53786844 1 SO4N5C11H11 AB4C5D11E11 29.86 6.62 -9.18 -1.62 0
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147191 53786845 1 ON2F6C21H22 AB2C6D21E22 -298.03 1.1 -9.4 0.12 0
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147192 53786846 1 SiO4F8C13H16 AB4C8D13E16 -597.02 2.28 -9.93 -1.51 0
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147193 53786847 1 NF4C26H31 AB4C26D31 -177.67 4.35 -9.8 -0.53 0
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147194 53786848 1 FON3H12C14 ABC3D12E14 -7.11 3.44 -9.04 -1.14 0
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147195 53786849 1 PSN2O3C19H29 ABC2D3E19F29 -158.27 1.93 -8.94 -0.13 0
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147196 53786850 1 SN5O5H17C18 AB5C5D17E18 -31.46 5.04 -9.16 -0.93 0
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147197 53786851 2 NO3C15H23 AB3C15D23 -291.28 4.19 -10.14 -0.69 0
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147198 53786852 1 SN2O9H26C27 AB2C9D26E27 -172.17 7.63 -8.58 -1.15 0
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147199 53786853 1 O2C29H48 A2B29C48 -156.76 6.13 -9.72 0.08 0
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147200 53786854 1 O5C27H30 A5B27C30 -116.68 4.13 -8.92 -0.81 0
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147201 53786855 1 ClH13C14 AB13C14 18.61 1.5 -9.24 0.02 0
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147202 53786856 2 NH9C11 AB9C11 78.6 3.12 -8.02 -0.64 0
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147203 53786857 1 N2O7C19H22 A2B7C19D22 -184.29 4.68 -10.05 -1.6 0
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147204 53786858 1 NSC33H37 ABC33D37 24.98 2.82 -8.07 0.21 0
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147205 53786859 1 ClON2H19C23 ABC2D19E23 50.62 3.95 -8.7 -0.87 0
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147206 53786860 1 ClO3N6C17H27 AB3C6D17E27 -111.9 5.21 -8.27 -0.25 0
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147207 53786861 1 PO3C21H27 AB3C21D27 -164.39 2.31 -9.26 0.24 0
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147208 53786862 1 N2O3C20H30 A2B3C20D30 -132.12 5.02 -8.78 -0.39 0
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147209 53786863 1 SiO4C16H30 AB4C16D30 -232.64 2.84 -9.03 0.63 0
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147210 53786864 1 ClO2C18H21 AB2C18D21 -59.6 2.83 -8.85 -0.12 0
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147211 53786865 1 O2N4C21H26 A2B4C21D26 -39.44 4.22 -8.35 -0.02 0
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147212 53786866 1 PO6C23H23 AB6C23D23 -234.96 2.68 -9.43 -0.2 0
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147213 53786867 1 ON2C24H36 AB2C24D36 -58.05 4.47 -9.57 0.73 0
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147214 53786868 1 O2N3H19C22 A2B3C19D22 31.32 6.84 -8.18 -0.67 0
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147215 53786869 2 NO4C8H8 AB4C8D8 -208.69 5.22 -10.49 -1.61 0
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147216 53786870 1 O2N3C28H37 A2B3C28D37 -34.56 1.89 -8.4 -0.33 0
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147217 53786871 1 FO5N9H30C36 AB5C9D30E36 -44.75 9.26 -9.11 -1.21 1
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147218 53786872 1 N3O4C20H26 A3B4C20D26 -18.4 23.12 0.0 0.0 0
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147219 53786873 2 O2C5H8 A2B5C8 -178.61 0.74 -9.44 0.09 0
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147220 53786874 1 BrO3N4H13C18 AB3C4D13E18 -17.11 2.71 -8.82 -1.3 0