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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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221856 85291436 1 O5C14H22 A5B14C22 -252.54 6.2 -9.99 0.52 0
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221857 85291437 1 O5C14H22 A5B14C22 -246.79 3.13 -10.08 0.57 0
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221858 85291438 2 NOC8H9 ABC8D9 -2.99 4.23 -9.11 -0.5 0
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221859 85291439 1 SO4C13H18 AB4C13D18 -153.59 2.19 -8.41 -0.11 0
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221860 85291445 1 OC19H26 AB19C26 -32.79 1.6 -9.27 -0.11 0
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221861 85291447 1 O2S2C13H18 A2B2C13D18 -63.79 7.31 -8.7 -0.28 0
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221862 85291448 1 SiO3C14H26 AB3C14D26 -183.96 6.07 -10.23 -0.43 0
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221863 85291449 1 O2C17H34 A2B17C34 -139.26 0.53 -9.55 1.39 0
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221864 85291468 2 NOC8H10 ABC8D10 -51.92 1.61 -9.81 -0.11 0
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221865 85291469 1 SO2C16H16 AB2C16D16 -14.95 3.82 -8.85 -0.34 0
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221866 85291470 1 SN4C14H16 AB4C14D16 84.58 6.72 -8.45 -0.96 0
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221867 85291472 2 NC9H14 AB9C14 -10.02 1.21 -8.57 0.5 0
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221868 85291477 1 NO2C17H23 AB2C17D23 -80.03 2.39 -9.38 0.22 0
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221869 85291478 1 NO2C17H23 AB2C17D23 -62.09 3.06 -8.9 0.3 0
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221870 85291479 1 NSSi2C12H27 ABC2D12E27 -74.92 0.57 -7.86 0.24 0
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221871 85291480 1 F3O3C13H13 A3B3C13D13 -261.74 5.28 -9.97 -0.89 0
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221872 85291487 1 SO3C14H26 AB3C14D26 -144.53 2.18 -10.66 0.29 0
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221873 85291493 1 NO3C16H21 AB3C16D21 -87.42 3.55 -8.81 0.11 0
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221875 85291502 4 OC4H5 AB4C5 -152.49 2.6 -9.48 0.23 0
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221876 85291517 1 NSO2C15H19 ABC2D15E19 -48.1 6.03 -9.06 -0.38 0
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221877 85291525 1 SO6C11H18 AB6C11D18 -252.29 2.99 -9.61 -0.06 0
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221878 85291612 1 NCl2O2C13H13 AB2C2D13E13 -63.18 3.77 -9.2 -0.04 0
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221879 85291860 1 NO6C15H17 AB6C15D17 -239.83 3.85 -9.72 -0.07 0
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221880 85291882 1 O2N3C18H19 A2B3C18D19 -38.82 1.53 -8.96 -0.04 0
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221881 85291958 2 NO3C7H12 AB3C7D12 -267.9 5.64 -10.08 0.16 0
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221882 85291979 1 NO4C18H23 AB4C18D23 -133.37 3.42 -9.61 -0.28 0
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221883 85291984 1 NO3C19H27 AB3C19D27 -104.01 3.16 -8.83 0.18 0
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221884 85292006 1 NO2C21H21 AB2C21D21 -17.7 3.31 -8.91 -0.36 0
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221885 85292022 1 NO4C18H27 AB4C18D27 -163.84 6.24 -9.83 1.0 0
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221886 85292101 1 NSiO4C16H29 ABC4D16E29 -240.0 4.47 -9.2 0.1 0
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221887 85292116 1 O2N7H11C16 A2B7C11D16 162.16 5.37 -10.22 -2.01 0
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221888 85292117 1 NO6H15C17 AB6C15D17 -82.26 4.99 -8.58 -1.25 0
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221889 85292120 1 FOSN3C17H18 ABCD3E17F18 -32.51 6.23 -8.74 -0.53 0
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221890 85292140 1 OC24H26 AB24C26 10.15 1.06 -8.64 -0.29 0
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221891 85292283 1 OTeC15H20 ABC15D20 -31.21 2.62 -8.1 -0.07 0
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221892 85292284 1 BrNO4C14H18 ABC4D14E18 -131.99 6.01 -8.76 -0.4 0
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221893 85292285 1 N2O9C13H16 A2B9C13D16 -388.74 3.29 -10.75 -0.49 0
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221894 85292305 1 NO4C20H27 AB4C20D27 -128.55 4.06 -9.45 0.27 0
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221896 85292378 1 SiO2C22H28 AB2C22D28 -12.27 2.02 -8.74 -0.01 0
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221897 85292382 1 SeO3C17H22 AB3C17D22 -90.58 2.82 -8.49 -0.44 0
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221898 85292446 1 NO6C19H21 AB6C19D21 -211.66 4.75 -8.74 -0.54 0
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221899 85292469 1 SiO3C21H32 AB3C21D32 -146.7 3.34 -8.91 0.32 0
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221900 85292487 1 O5C21H30 A5B21C30 -243.51 6.66 -9.98 -0.35 0
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221901 85292488 1 N2O2C23H26 A2B2C23D26 -40.23 2.28 -9.24 -0.06 0
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221902 85292536 2 OSC10H15 ABC10D15 -104.13 1.05 -9.1 -1.12 0
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221903 85292603 1 O7C19H34 A7B19C34 -338.78 5.6 -9.96 -0.08 0
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221904 85292619 1 NO5C21H29 AB5C21D29 -224.14 3.56 -9.41 0.27 0
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221905 85292620 1 NSO4C20H25 ABC4D20E25 -109.07 4.87 -8.7 -0.61 0
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221906 85292621 1 O3N5C18H41 A3B5C18D41 -182.02 4.54 -8.99 0.61 0
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221907 85292622 1 NSO2C22H33 ABC2D22E33 -92.68 1.96 -8.77 -0.46 -1