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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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216223 85085913 1 O2N3C13H13 A2B3C13D13 -12.81 4.05 -9.56 -0.28 0
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216224 85085915 1 NO4C12H21 AB4C12D21 -183.01 1.86 -9.45 1.48 0
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216225 85085917 1 NO2C15H17 AB2C15D17 -45.04 5.53 -8.83 -0.19 0
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216226 85085920 1 NOC16H21 ABC16D21 -33.43 3.57 -9.41 -0.48 0
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216227 85085921 1 NOC16H21 ABC16D21 -18.16 2.3 -8.66 0.52 0
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216228 85085922 1 O2S2C11H14 A2B2C11D14 -52.11 7.06 -8.29 -0.45 0
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216229 85085923 1 NSi2C12H29 AB2C12D29 -101.73 0.77 -8.74 1.28 0
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216230 85085924 1 O3N4H8C11 A3B4C8D11 -15.26 8.04 -9.92 -2.0 0
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216231 85085925 2 O2H6C7 A2B6C7 -46.01 3.06 -8.19 -0.7 0
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216232 85085926 2 ON2C6H6 AB2C6D6 19.82 4.28 -8.72 -1.55 0
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216233 85085927 2 ON2C6H6 AB2C6D6 12.28 5.32 -8.69 -0.44 0
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216234 85085928 2 ON2C6H6 AB2C6D6 103.27 8.13 -8.39 -1.26 0
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216235 85085930 1 O3C15H16 A3B15C16 -81.36 2.65 -9.82 -1.3 0
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216236 85085931 1 O3C15H16 A3B15C16 25.24 2.27 -9.37 -0.47 0
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216237 85085932 2 NOC7H8 ABC7D8 -56.48 1.18 -9.76 0.0 0
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216238 85085933 1 O4C13H24 A4B13C24 -222.5 2.22 -10.2 0.64 0
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216239 85085934 1 SO3C12H20 AB3C12D20 -134.0 3.74 -9.91 0.14 0
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216240 85085935 1 O3C14H28 A3B14C28 -196.64 2.22 -10.14 1.59 0
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216241 85085936 2 NC8H12 AB8C12 20.16 3.24 -8.06 0.56 0
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216242 85085937 1 SiO3C12H24 AB3C12D24 -204.36 2.13 -9.79 -0.32 0
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216243 85085939 1 NO5C11H19 AB5C11D19 -212.02 3.59 -9.43 0.55 0
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216244 85085940 1 NO3C14H15 AB3C14D15 -104.52 8.48 -8.97 -0.41 0
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216245 85085941 1 OSN3H11C12 ABC3D11E12 96.62 6.47 -8.32 -0.67 0
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216246 85085943 1 NO2C15H19 AB2C15D19 5.5 5.49 -9.23 -0.92 0
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216247 85085945 1 NSiC15H23 ABC15D23 -7.26 4.33 -9.32 0.13 0
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216248 85085947 2 ON3H4C5 AB3C4D5 81.11 6.0 -9.87 -2.69 0
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216249 85085948 1 O6C11H18 A6B11C18 -276.16 2.98 -10.16 0.08 0
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216250 85085949 2 O2C7H7 A2B7C7 -124.2 3.94 -9.88 -0.84 0
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216251 85085951 2 ON2C6H6 AB2C6D6 21.32 10.92 -9.14 -2.37 0
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216252 85085952 1 O5C12H22 A5B12C22 -263.74 3.51 -10.07 0.55 0
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216253 85085953 1 O5C12H22 A5B12C22 -266.66 2.69 -10.57 0.5 0
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216254 85085954 3 OC5H6 AB5C6 -130.87 2.56 -9.52 0.08 0
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216255 85085955 3 OC5H6 AB5C6 -122.52 6.02 -9.55 0.18 0
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216256 85085956 3 OC5H6 AB5C6 -110.79 5.47 -9.03 -0.56 0
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216257 85085957 2 NOC7H9 ABC7D9 -39.93 6.89 -8.55 0.13 0
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216258 85085958 1 SO4C11H18 AB4C11D18 -190.91 5.52 -10.05 -0.15 0
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216259 85085959 1 SO3C12H22 AB3C12D22 -137.4 3.8 -8.88 0.5 0
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216260 85085960 1 SN2C14H18 AB2C14D18 50.77 3.14 -8.28 -0.4 0
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216261 85085961 1 OC17H26 AB17C26 -58.15 2.56 -9.37 0.28 0
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216262 85085962 1 SO2C13H26 AB2C13D26 -128.72 2.59 -8.47 0.43 0
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216263 85085963 1 NO4C13H13 AB4C13D13 -117.63 4.28 -9.3 -1.16 0
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216264 85085964 1 NO3C14H17 AB3C14D17 -83.08 2.44 -8.79 -0.02 1
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216265 85085965 1 NO3C14H18 AB3C14D18 -82.2 2.81 0.0 0.0 0
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216266 85085966 1 NO2C15H21 AB2C15D21 -49.65 3.16 -8.68 0.42 -1
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216267 85085967 1 Cl2N4C9H13 A2B4C9D13 65.77 2.46 0.0 0.0 0
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216268 85085968 1 N2O7C8H12 A2B7C8D12 -148.66 4.38 -10.52 -1.35 0
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216269 85085969 2 N2O2H4C5 A2B2C4D5 54.71 10.66 -9.9 -2.0 0
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216270 85085970 1 N2O3C13H16 A2B3C13D16 -117.0 4.92 -8.53 -0.26 0
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216271 85085971 1 ON2H12C16 AB2C12D16 79.11 4.33 -10.18 -0.9 0
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216272 85085972 1 SN6C10H12 AB6C10D12 119.48 4.02 -8.92 -1.18 0