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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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255850 103135197 1 O4C15H22 A4B15C22 -171.3 5.18 -8.56 0.41 0
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255851 103135203 1 FO3C13H17 AB3C13D17 -164.53 1.23 -9.72 -0.41 0
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255852 103135206 1 O3C15H22 A3B15C22 -137.71 3.82 -8.7 0.25 0
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255853 103135207 1 N5C16H21 A5B16C21 80.69 6.15 -8.73 0.01 0
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255854 103135210 1 N4C15H22 A4B15C22 54.52 5.61 -8.93 0.11 0
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255855 103135214 1 ClN4C13H17 AB4C13D17 58.06 4.78 -9.21 -0.22 0
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255856 103135219 1 N5C13H15 A5B13C15 109.22 2.35 -8.57 -0.47 0
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255857 103135224 1 NO5C14H19 AB5C14D19 -137.33 7.89 -9.79 -1.22 0
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255858 103135237 1 N3C15H29 A3B15C29 -4.59 1.98 -8.69 0.97 0
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255859 103135239 1 SO2N3C11H21 AB2C3D11E21 -57.1 3.13 -8.98 1.06 0
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255860 103135240 1 NO3C15H17 AB3C15D17 -103.69 7.4 -8.98 -0.61 0
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255861 103135241 1 F2N3C15H19 A2B3C15D19 -45.62 3.57 -9.07 -0.1 0
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255862 103135247 1 NO4C12H15 AB4C12D15 -161.63 5.07 -9.76 -1.1 0
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255863 103135250 1 N2O4C11H16 A2B4C11D16 -159.21 2.41 -9.69 -1.12 0
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255864 103135252 1 N2O4C15H16 A2B4C15D16 -126.66 2.07 -9.55 -1.39 0
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255865 103135254 1 N2O3C10H14 A2B3C10D14 -100.06 7.31 -10.15 -0.48 0
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255866 103135262 1 N3C12H23 A3B12C23 4.9 4.27 -9.1 0.7 0
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255867 103135273 1 N3C14H25 A3B14C25 7.44 4.11 -9.02 0.77 0
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255868 103135284 1 N2O3C12H18 A2B3C12D18 -122.5 3.19 -9.5 -0.38 0
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255869 103135292 1 BrNO3C11H14 ABC3D11E14 -121.82 7.88 -9.63 -0.5 0
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255870 103135309 1 N3C11H21 A3B11C21 21.04 2.19 -8.66 1.02 0
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255871 103135317 1 N3C17H31 A3B17C31 -3.38 1.94 -8.54 0.97 0
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255872 103135321 1 ClO3C15H21 AB3C15D21 -130.31 1.38 -8.41 -0.07 0
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255873 103135324 1 Cl2O3C14H18 A2B3C14D18 -132.38 2.27 -8.61 -0.32 0
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255874 103135331 1 N3C14H27 A3B14C27 0.98 3.07 -8.7 0.82 0
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255875 103135341 1 ON3C12H21 AB3C12D21 -24.66 4.9 -8.87 0.76 0
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255876 103135343 1 S2N3C14H19 A2B3C14D19 56.99 2.65 -8.59 -0.02 0
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255877 103135345 1 BrClO2C13H16 ABC2D13E16 -88.14 3.05 -8.98 -0.76 0
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255878 103135361 1 ClNO4C13H16 ABC4D13E16 -94.75 9.15 -9.85 -1.26 0
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255879 103135364 1 ClO2C17H19 AB2C17D19 -70.53 2.67 -8.97 -0.8 0
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255880 103135371 5 NC2H3 AB2C3 74.36 6.27 -8.88 0.4 0
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255881 103135372 1 BrO4C15H21 AB4C15D21 -151.93 2.64 -8.57 -0.58 0
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255882 103135373 1 N4C11H14 A4B11C14 66.24 6.03 -9.36 0.12 0
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255883 103135380 1 N5C11H15 A5B11C15 79.4 2.28 -9.0 -0.35 0
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255884 103135381 1 N5C14H17 A5B14C17 102.37 3.52 -8.41 -0.03 0
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255885 103135384 1 BrClO2C13H16 ABC2D13E16 -83.34 2.11 -9.69 -0.61 0
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255886 103135388 1 BrClO2C13H16 ABC2D13E16 -85.79 2.51 -9.11 -0.78 0
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255887 103135389 1 ON3C11H21 AB3C11D21 -16.82 0.76 -8.78 0.93 0
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255888 103135398 1 ClO2C14H19 AB2C14D19 -97.4 1.37 -8.73 -0.06 0
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255889 103135432 1 N5C14H23 A5B14C23 60.92 4.67 -8.88 0.68 0
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255890 103135433 1 BrFO2C13H16 ABC2D13E16 -128.83 2.8 -9.31 -0.81 0
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255891 103135436 1 N5C13H21 A5B13C21 65.9 2.23 -8.76 0.94 0
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255892 103135437 1 ClFN3C14H17 ABC3D14E17 4.26 1.72 -8.85 -0.25 0
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255893 103135456 1 Cl2N3C11H11 A2B3C11D11 48.09 3.75 -9.37 -0.44 0
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255894 103135468 1 F2O4C15H16 A2B4C15D16 -230.68 5.75 -9.55 -1.34 0
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255895 103135471 1 SN3C12H15 AB3C12D15 65.39 2.82 -8.28 0.12 0
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255896 103135473 1 N3C18H29 A3B18C29 -11.17 4.39 -9.16 0.7 0
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255897 103135474 1 FO4C15H17 AB4C15D17 -191.6 6.56 -9.76 -0.69 0
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255898 103135489 1 N3C15H19 A3B15C19 56.34 2.61 -8.62 0.68 0
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255899 103135490 1 BrFSO5C13H14 ABCD5E13F14 -240.02 4.23 -10.13 -1.71 0
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255900 103135498 1 SO5C14H18 AB5C14D18 -211.07 4.55 -10.06 -1.09 0
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255901 103135510 1 N3C16H23 A3B16C23 48.13 3.3 -8.74 0.63 0
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255902 103135512 1 N3C11H19 A3B11C19 45.39 2.15 -8.66 0.92 0
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255903 103135513 1 SCl2O5C13H14 AB2C5D13E14 -210.3 2.83 -10.14 -1.65 0
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255904 103135519 1 SO5C15H20 AB5C15D20 -214.23 5.6 -9.98 -1.04 0
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255905 103135535 1 O3C16H18 A3B16C18 -104.86 2.22 -8.74 -0.46 0
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255906 103135536 1 ClFN3C13H15 ABC3D13E15 5.64 4.0 -8.95 -0.18 0
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255907 103135555 1 N6C13H14 A6B13C14 134.1 3.27 -9.18 -0.68 0
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255908 103135559 1 BrON3H12C13 ABC3D12E13 55.43 3.59 -9.18 -0.6 -1
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255909 103135567 1 BO2F3C12H15 AB2C3D12E15 -301.17 13.94 0.0 0.0 0
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255910 103135574 4 NC3H4 AB3C4 64.23 3.95 -9.28 -0.06 0
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255911 103135583 1 ON3C12H17 AB3C12D17 20.55 4.81 -9.0 0.64 0
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255912 103135585 3 NC5H7 AB5C7 49.15 1.96 -8.77 0.6 0
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255913 103135592 1 ClON3C14H18 ABC3D14E18 9.67 5.13 -9.0 -0.05 0
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255914 103135593 1 BFO4C12H16 ABC4D12E16 -276.89 2.83 -9.45 -0.35 0
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255915 103135607 1 BFO4C12H16 ABC4D12E16 -271.63 3.17 -9.12 -0.25 0
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255916 103135612 1 SN5C14H23 AB5C14D23 66.25 6.87 -9.18 -0.46 0
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255917 103135617 3 FNC5H8 ABC5D8 -157.36 6.65 -9.01 0.57 0
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255918 103135622 1 NSO6C13H17 ABC6D13E17 -234.27 4.65 -10.14 -1.12 0
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255919 103135623 1 NSO6C13H17 ABC6D13E17 -234.89 8.75 -10.32 -1.16 0
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255920 103135624 1 NSO4C14H21 ABC4D14E21 -169.93 7.49 -9.33 -0.27 0
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255921 103135637 1 ClSN3C12H16 ABC3D12E16 53.69 2.65 -8.84 -0.24 0
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255922 103135643 1 ClON3C12H14 ABC3D12E14 15.61 2.1 -8.95 -0.12 0
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255923 103135672 1 NO2C12H23 AB2C12D23 -113.28 2.57 -8.84 1.68 0
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255924 103135695 1 BrN3C16H16 AB3C16D16 85.1 5.14 -8.8 -0.51 0