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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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48064 10536907 1 NO2C13H18 AB2C13D18 -32.06 1.98 0.0 0.0 0
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48065 10536908 1 SN4C10H12 AB4C10D12 81.12 3.24 -8.75 -0.33 0
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48066 10536909 2 OC7H10 AB7C10 -73.69 3.64 -9.51 0.19 0
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48067 10536911 2 OC7H10 AB7C10 -79.67 3.34 -9.41 0.23 0
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48068 10536926 1 OC15H24 AB15C24 -51.53 2.2 -9.73 2.31 0
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48069 10536932 2 NC7H12 AB7C12 -4.29 4.9 -9.57 0.88 0
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48070 10536963 1 NO3C12H15 AB3C12D15 -129.49 3.7 -9.81 -1.08 0
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48071 10536967 1 OSN3C10H11 ABC3D10E11 14.12 2.62 -8.4 -0.71 0
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48072 10536979 1 ClNO2H8C11 ABC2D8E11 -26.9 4.63 -9.24 -1.58 0
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48073 10536980 1 ClON3H8C10 ABC3D8E10 69.72 5.6 -9.33 -1.27 0
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48074 10536983 1 BrNOC8H16 ABCD8E16 -70.91 4.29 -9.49 -0.64 0
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48075 10536988 2 O2C6H7 A2B6C7 -148.06 5.48 -9.37 -0.66 0
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48076 10536990 2 O2C6H7 A2B6C7 -152.26 5.35 -10.3 0.37 0
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48077 10537016 2 OC7H11 AB7C11 -80.67 2.29 -8.9 1.14 0
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48078 10537022 1 SN2C12H18 AB2C12D18 16.44 2.28 -8.63 -0.1 0
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48079 10537028 1 OC15H26 AB15C26 -48.24 1.51 -10.09 1.55 0
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48080 10537030 2 SC6H7 AB6C7 14.71 1.38 -8.6 -0.24 0
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48081 10537032 1 OSiC13H22 ABC13D22 -80.83 2.68 -8.74 0.38 0
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48082 10537035 1 N2O4C7H10 A2B4C7D10 -159.64 4.18 -10.32 -0.64 0
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48083 10537054 1 NO3C12H17 AB3C12D17 -125.68 3.59 -8.57 0.15 0
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48084 10537055 1 NO3C12H17 AB3C12D17 -120.73 5.06 -8.17 0.22 0
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48085 10537056 1 NO3C12H17 AB3C12D17 -115.97 2.43 -9.88 0.35 0
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48086 10537061 1 N3H13C14 A3B13C14 92.61 5.87 -9.64 -0.63 0
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48087 10537071 1 NOSC12H17 ABCD12E17 11.6 4.22 -8.57 -0.38 0
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48088 10537079 1 ClN3C11H14 AB3C11D14 28.71 4.53 -8.52 -0.05 0
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48089 10537091 1 N2O2H8C13 A2B2C8D13 -6.81 3.51 -8.77 -1.26 0
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48090 10537092 1 FO3C12H13 AB3C12D13 -130.02 1.22 -9.44 -0.31 0
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48091 10537095 1 SO6C7H12 AB6C7D12 -251.21 3.23 -9.51 -0.71 0
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48092 10537110 2 NC7H11 AB7C11 11.67 0.45 -8.5 0.51 0
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48093 10537119 1 O3C13H20 A3B13C20 -148.78 2.76 -10.17 -0.11 0
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48094 10537121 1 O3C13H20 A3B13C20 -150.95 4.38 -9.71 1.0 0
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48095 10537126 1 O3C13H20 A3B13C20 -121.62 3.66 -9.71 0.67 0
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48096 10537127 1 OC16H16 AB16C16 -5.81 1.29 -8.33 -0.19 0
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48097 10537141 1 OSC13H20 ABC13D20 -55.04 0.31 -8.63 -0.15 0
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48098 10537147 1 ClOC13H17 ABC13D17 -52.32 1.83 -9.31 0.4 0
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48099 10537152 1 BrOH9C10 ABC9D10 -19.59 1.92 -9.8 -0.83 0
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48100 10537156 1 NPO5C7H16 ABC5D7E16 -291.28 4.8 -10.14 0.56 0
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48101 10537159 1 NO5C10H11 AB5C10D11 -114.93 6.91 -10.66 -1.72 0
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48102 10537160 1 N3O4C9H11 A3B4C9D11 -120.9 2.41 -10.3 -0.96 0
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48103 10537168 1 NO4C11H15 AB4C11D15 -132.69 4.4 -9.88 0.1 0
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48104 10537171 1 NO2H11C14 AB2C11D14 -2.77 1.84 -9.67 -1.08 0
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48105 10537184 1 NO3C12H19 AB3C12D19 -128.86 2.09 -9.03 0.18 0
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48106 10537185 1 NOC15H15 ABC15D15 -3.04 2.91 -8.86 0.1 0
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48107 10537198 1 NO2C13H23 AB2C13D23 -102.86 2.71 -9.24 0.68 0
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48108 10537200 1 ON2C13H25 AB2C13D25 -24.13 2.95 0.0 0.0 0
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48109 10537201 1 NOSC12H19 ABCD12E19 -35.79 1.82 -8.55 -0.01 0
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48110 10537243 1 O3C13H22 A3B13C22 -155.82 3.85 -9.7 1.12 0
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48111 10537253 1 N2C15H18 A2B15C18 60.23 4.19 -8.99 0.26 0
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48112 10537256 2 OC7H13 AB7C13 -112.47 3.38 -9.81 0.73 0
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48113 10537260 1 SC14H26 AB14C26 -42.02 1.98 -8.48 0.53 0
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48114 10537267 1 ClSN2C10H11 ABC2D10E11 36.19 1.9 -9.13 -1.18 0
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48115 10537275 1 NSO4C9H9 ABC4D9E9 -127.34 4.86 -9.63 -0.98 0
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48116 10537284 1 N3O3C10H17 A3B3C10D17 -37.47 3.96 -8.81 -0.29 0
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48117 10537290 1 NOC15H17 ABC15D17 -13.03 2.98 -8.85 0.4 0
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48118 10537300 1 NC16H21 AB16C21 5.27 2.37 -8.0 0.33 0
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48119 10537305 1 ClN5C9H14 AB5C9D14 6.33 3.39 -8.65 -0.25 0
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48120 10537311 1 OPH13C14 ABC13D14 -27.79 5.03 -9.2 -0.71 1
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48121 10537312 1 OPH12C14 ABC12D14 4.64 5.02 0.0 0.0 0
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48122 10537314 1 O3H12C14 A3B12C14 -78.31 6.54 -9.7 -0.46 0
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48123 10537322 4 OC3H5 AB3C5 -194.09 4.43 -10.4 -0.47 0
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48124 10537323 4 OC3H5 AB3C5 -194.37 1.22 -9.75 0.86 0
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48125 10537330 1 S2O3H8C9 A2B3C8D9 -74.36 5.29 -8.69 -0.71 0
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48126 10537338 1 OC16H20 AB16C20 -56.13 4.29 -9.11 -0.22 0
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48127 10537340 1 OC16H20 AB16C20 -22.46 3.88 -9.07 -0.48 0
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48128 10537341 1 OC16H20 AB16C20 -18.86 0.62 -8.53 0.31 0
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48129 10537343 1 ON2S2C9H12 AB2C2D9E12 -5.03 5.57 -8.91 -1.18 0
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48130 10537348 1 SiO2C12H24 AB2C12D24 -156.76 1.04 -8.78 1.13 0
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48131 10537350 2 NC7H16 AB7C16 -63.79 2.62 -9.28 3.5 0
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48132 10537351 1 ClOH9C14 ABC9D14 21.95 2.14 -8.9 -0.96 0
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48133 10537356 2 ClN2H3C4 AB2C3D4 86.97 7.28 -9.75 -1.39 0
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48134 10537357 1 NO4H7C12 AB4C7D12 17.34 8.35 -8.09 -2.8 0
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48135 10537365 1 NF3C12H14 AB3C12D14 -139.09 4.12 -9.69 -0.22 0
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48136 10537373 1 NO2C14H15 AB2C14D15 -54.92 0.85 -8.13 -0.34 0
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48137 10537378 1 NSO3C10H15 ABC3D10E15 -122.92 5.42 -9.41 -0.42 0
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48138 10537391 1 ClNOC12H20 ABCD12E20 -82.19 5.1 -9.4 0.07 0