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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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399703 135041906 1 BrN2H9C15 AB2C9D15 139.64 1.68 -8.96 -1.02 0
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399704 135041916 6 COH2 ABC2 -274.91 3.05 -10.17 0.71 0
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399705 135041927 2 O3C7H11 A3B7C11 -282.66 2.19 -10.24 0.14 0
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399706 135041930 1 O3C13H22 A3B13C22 -142.26 3.15 -9.76 -0.64 0
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399707 135041934 1 ClSiO2C15H23 ABC2D15E23 -194.83 3.21 -9.43 0.18 0
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399708 135041938 1 ClSiO3C14H21 ABC3D14E21 -184.96 5.08 -9.11 -1.03 0
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399709 135041952 1 FNOC12H14 ABCD12E14 -81.02 1.17 -8.72 -0.28 -1
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399710 135041953 1 NO2C11H14 AB2C11D14 -30.71 1.59 0.0 0.0 0
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399711 135041971 1 ON3H11C16 AB3C11D16 82.09 3.86 -9.94 -1.42 0
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399712 135041974 1 O4C13H14 A4B13C14 -97.91 3.15 -9.68 0.06 0
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399713 135041975 1 BrO3H13C14 AB3C13D14 -73.57 1.86 -9.79 -0.79 0
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399714 135041980 1 BrO2C15H21 AB2C15D21 -49.46 3.92 -9.61 -0.16 0
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399715 135041981 1 SeC17H20 AB17C20 30.6 1.58 -8.28 -0.56 0
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399716 135042016 1 BrNOH10C11 ABCD10E11 -4.34 2.82 -9.18 -1.03 0
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399717 135042027 1 BrNSSiC14H22 ABCDE14F22 -18.47 2.4 -8.48 -0.51 0
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399718 135042041 1 SO3H12C15 AB3C12D15 -57.69 3.37 -9.32 -0.86 0
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399719 135042049 3 C5H6 A5B6 93.65 0.99 -7.62 -1.02 0
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399720 135042050 2 AlCOH3 ABCD3 -141.84 4.62 -7.92 1.72 0
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399721 135042053 1 OC15H22 AB15C22 -50.95 2.73 -9.52 0.68 1
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399722 135042056 1 SO2H5C6 AB2C5D6 0.99 2.86 0.0 0.0 0
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399723 135042058 1 OH12C13 AB12C13 12.99 2.64 -9.42 0.26 -1
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399724 135042062 1 ClO3C6H8 AB3C6D8 -108.79 1.82 0.0 0.0 -5
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399725 135042086 2 CoC4H4O4 AB4C4D4 -406.88 9.63 -11.02 -4.84 0
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399726 135042103 1 NOSC16H17 ABCD16E17 -4.3 2.58 -8.85 -0.48 0
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399727 135042104 1 ClO2H9C10 AB2C9D10 -74.07 5.16 -10.06 -0.34 0
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399728 135042105 1 C17H18 A17B18 43.32 0.84 -9.08 0.39 0
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399729 135042106 1 BrPO4C11H14 ABC4D11E14 -226.86 5.38 -9.68 -0.44 0
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399730 135042107 1 OC13H16 AB13C16 -28.08 1.75 -9.37 0.34 0
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399731 135042108 1 ClNSO3H12C14 ABCD3E12F14 -68.28 7.32 -8.77 -1.11 0
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399732 135042109 1 NaPO6C9H16 ABC6D9E16 -387.14 6.8 -9.28 0.7 0
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399734 135042114 1 NOCl3C9H12 ABC3D9E12 -62.24 4.82 -10.14 -0.61 0
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399735 135042115 1 NOH13C15 ABC13D15 40.38 1.83 -9.67 -0.38 0
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399736 135042116 1 O2H12C15 A2B12C15 -31.3 1.5 -8.64 -0.85 0
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399737 135042143 3 OC5H6 AB5C6 -86.24 4.62 -8.91 -0.07 0
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399738 135042145 1 OC12H22 AB12C22 -68.84 1.62 -9.39 0.76 0
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399739 135042147 2 NOC4H6 ABC4D6 -31.8 1.75 -10.15 -0.62 0
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399740 135042159 1 ClOH9C10 ABC9D10 -12.39 3.53 -9.77 -0.18 0
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399741 135042177 1 ON2H10C13 AB2C10D13 29.47 6.65 -8.78 -1.63 0
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399742 135042181 1 ClNSO3H12C14 ABCD3E12F14 -66.51 7.27 -8.72 -1.09 0
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399743 135042193 1 NSO14C20H35 ABC14D20E35 -650.56 8.36 -9.55 -0.64 0
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399744 135042197 1 ClH15C16 AB15C16 41.37 2.41 -9.25 -0.05 0
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399745 135042198 1 FH15C16 AB15C16 6.18 1.3 -9.31 0.0 0
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399746 135042214 1 OC16H20 AB16C20 -25.88 3.04 -9.3 0.35 0
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399747 135042268 1 BrSO3C12H15 ABC3D12E15 -109.98 2.42 -8.85 -0.78 0
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399748 135042270 1 SiO2C12H20 AB2C12D20 -106.42 5.31 -10.09 0.74 0
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399749 135042271 1 SN2C12H14 AB2C12D14 30.32 6.18 -8.38 -0.31 0
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399750 135042275 1 OC16H20 AB16C20 -26.88 2.99 -9.43 0.69 0
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399751 135042284 1 NC14H17 AB14C17 60.21 3.66 -9.45 -0.3 0
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399752 135042302 1 O2C13H16 A2B13C16 -21.07 5.1 -8.76 -0.02 0
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399753 135042303 1 OSiC11H20 ABC11D20 -88.93 1.78 -9.15 0.27 1