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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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53227 14709822 1 NO4H25C26 AB4C25D26 -79.8 8.08 -8.95 -1.04 0
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53228 14709827 1 NO5C30H39 AB5C30D39 -188.36 8.07 -9.4 -0.8 0
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53229 14709828 1 NO4C34H39 AB4C34D39 -119.59 5.5 -9.32 -1.01 0
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53230 14709829 1 NO4C34H39 AB4C34D39 -120.0 5.72 -9.37 -1.02 0
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53231 14709831 1 NO5C34H39 AB5C34D39 -156.74 9.83 -8.89 -0.93 0
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53232 14709833 1 NO5C30H39 AB5C30D39 -188.27 7.39 -9.35 -0.79 0
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53233 14709836 1 NO5C31H33 AB5C31D33 -137.76 6.38 -8.93 -1.0 0
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53234 14709837 1 NO6C32H43 AB6C32D43 -226.85 5.52 -9.39 -0.8 0
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53235 14709838 1 NO6C32H43 AB6C32D43 -228.65 8.12 -9.44 -0.83 0
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53236 14709839 1 NO6C32H43 AB6C32D43 -229.25 8.43 -9.44 -0.87 0
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53237 14709840 1 NO2C30H33 AB2C30D33 -31.27 4.91 -9.01 -0.53 0
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53238 14709842 1 BC48H99 AB48C99 -249.48 0.13 -9.88 0.61 0
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53239 14709843 1 BBr3C15H30 AB3C15D30 -72.53 3.17 -10.15 -0.08 0
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53240 14709844 1 BrTeC11H15 ABC11D15 9.56 3.08 -8.18 -0.21 0
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53241 14709847 1 OTeC19H24 ABC19D24 -6.87 0.44 -8.08 -0.13 0
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53243 14709856 1 SCl3O4C23H33 AB3C4D23E33 -212.61 5.41 -10.13 -0.78 0
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53244 14709857 1 SCl3O4H19C20 AB3C4D19E20 -144.19 5.56 -9.62 -0.9 0
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53245 14709863 1 SCl3O4H19C20 AB3C4D19E20 -138.57 8.03 -9.62 -0.7 0
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53246 14709876 1 SO2C18H18 AB2C18D18 -0.14 6.5 -9.33 -0.46 0
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53247 14709885 1 OSC14H18 ABC14D18 -8.33 3.06 -8.63 0.24 0
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53248 14709888 1 OSC9H16 ABC9D16 -38.11 2.4 -8.69 0.21 0
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53249 14709889 1 OSC18H24 ABC18D24 -20.09 1.34 -8.48 0.03 0
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53250 14709890 1 OSC14H24 ABC14D24 -59.02 2.69 -8.32 0.51 0
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53251 14709891 1 OSC12H20 ABC12D20 -45.65 1.05 -8.58 0.24 0
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53252 14709896 1 NSC21H25 ABC21D25 59.74 1.63 -8.41 0.29 0
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53253 14709899 1 NSC19H29 ABC19D29 12.73 0.93 -8.22 0.4 0
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53254 14709900 1 NO3C21H25 AB3C21D25 -75.24 3.54 -9.18 -0.02 0
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53255 14709901 1 NO3C21H25 AB3C21D25 -73.24 2.44 -9.52 0.16 0
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53256 14709902 1 NO3C21H25 AB3C21D25 -71.29 0.97 -9.34 0.32 0
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53257 14709903 1 NO3C28H39 AB3C28D39 -121.0 2.3 -8.87 0.1 0
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53258 14709905 1 NO3C28H39 AB3C28D39 -119.54 1.94 -8.82 0.18 0
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53259 14709906 1 NO4C26H33 AB4C26D33 -99.44 5.23 -9.47 0.0 0
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53260 14709909 1 NSO6C27H35 ABC6D27E35 -226.25 6.98 -9.26 -0.2 0
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53261 14709910 1 NSO6C27H35 ABC6D27E35 -234.36 5.84 -9.15 -0.14 0
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53262 14709911 1 NSO6C20H29 ABC6D20E29 -262.9 4.0 -9.82 -0.19 0
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53263 14709916 1 N2O4C23H34 A2B4C23D34 -176.69 4.3 -8.97 -0.13 0
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53264 14709917 1 N2O4C23H34 A2B4C23D34 -172.32 4.39 -9.06 0.22 0
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53265 14709928 1 N2O6C21H36 A2B6C21D36 -313.15 4.1 -8.91 0.72 0
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53266 14709933 1 NSi2O4C27H49 AB2C4D27E49 -304.68 4.64 -8.79 -0.2 0
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53267 14709941 1 NSi2O4C24H49 AB2C4D24E49 -323.68 1.27 -8.79 0.76 0
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53268 14709946 1 OSN2C8H14 ABC2D8E14 -37.07 6.66 -9.59 -0.34 0
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53269 14709947 1 OSN2C10H18 ABC2D10E18 -45.41 4.06 -9.32 -0.18 0
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53270 14709950 1 NSO3C10H19 ABC3D10E19 -162.23 3.59 -9.33 -0.16 0
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53271 14709954 1 N2O7C16H22 A2B7C16D22 -297.12 4.22 -10.21 0.08 0
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53272 14709958 1 NO4C11H15 AB4C11D15 -123.1 2.69 -10.09 0.06 0
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53273 14709974 1 O6C17H30 A6B17C30 -323.6 2.4 -10.64 0.38 0
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53274 14709977 1 FO2C10H19 AB2C10D19 -166.94 1.15 -9.92 -0.16 0
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53276 14709989 1 ClPN2C11H18 ABC2D11E18 -16.51 3.63 -8.45 -0.06 0
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53277 14709991 1 BPN2Cl3C30H33 ABC2D3E30F33 109.33 8.97 -6.67 -0.8 1
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53278 14709994 1 PN2C6H16 AB2C6D16 -3.56 3.02 0.0 0.0 0