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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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402705 135056960 1 ISeN2H7C9 ABC2D7E9 81.53 3.69 -8.65 -0.79 0
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402706 135056961 1 NaO3C6H9 AB3C6D9 -172.74 5.29 -8.04 0.66 0
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402707 135056974 1 NOSC11H23 ABCD11E23 -55.47 3.7 -8.38 0.72 0
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402708 135056975 1 BrO2C13H13 AB2C13D13 -52.79 4.76 -9.65 -0.6 0
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402709 135056976 1 BrO3C10H11 AB3C10D11 -108.49 2.19 -9.91 -0.46 0
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402710 135056977 1 NO4C10H11 AB4C10D11 -128.79 4.61 -10.01 -0.35 0
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402711 135056979 1 O3C11H24 A3B11C24 -179.33 3.31 -9.96 1.6 0
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402712 135056987 1 SO3C9H16 AB3C9D16 -139.24 4.35 -9.57 -0.57 0
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402713 135056989 2 OC7H10 AB7C10 -73.69 3.47 -8.7 0.21 0
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402714 135056993 1 SO2C12H20 AB2C12D20 -113.13 2.54 -8.64 0.11 0
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402715 135056994 1 OC8H10 AB8C10 0.07 1.95 -9.58 0.14 0
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402716 135057006 2 C7H13 A7B13 -24.8 0.48 -9.46 1.26 0
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402717 135057007 1 N2S2C13H14 A2B2C13D14 58.15 3.15 -8.4 -0.77 0
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402718 135057009 1 O2N3C9H13 A2B3C9D13 -27.95 1.68 -9.84 -0.44 0
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402719 135057013 1 NO3C11H13 AB3C11D13 -23.74 6.9 -10.32 -1.34 0
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402720 135057016 1 OF3C11H13 AB3C11D13 -200.78 2.11 -9.71 0.06 0
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402721 135057017 1 OC14H20 AB14C20 -38.96 1.83 -9.52 0.09 0
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402722 135057019 1 ClC13H17 AB13C17 0.24 2.23 -9.3 0.39 0
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402723 135057024 1 O2F3H13C14 A2B3C13D14 -220.18 3.63 -10.0 -0.51 -1
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402724 135057034 1 AlNC13H27 ABC13D27 -4.94 7.51 0.0 0.0 0
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402725 135057035 1 OSiC12H16 ABC12D16 -26.63 4.23 -8.69 0.1 0
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402726 135057037 1 NO2C14H19 AB2C14D19 -70.11 3.59 -9.88 -0.35 1
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402727 135057038 1 BOPC9H11 ABCD9E11 93.91 7.51 0.0 0.0 0
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402728 135057039 1 SH5C7N7 AB5C7D7 207.64 1.79 -9.2 -1.2 0
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402729 135057040 2 HOSN3C4 ABCD3E4 87.28 0.69 -9.26 -2.14 0
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402730 135057041 1 OLi2C7H16 AB2C7D16 -74.64 12.17 -7.9 2.88 0
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402731 135057042 1 SiO2C13H20 AB2C13D20 -82.24 2.31 -8.79 0.33 0
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402732 135057043 1 O4C11H16 A4B11C16 -156.52 1.82 -9.35 0.37 0
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402733 135057045 1 ClSiO2C10H21 ABC2D10E21 -158.15 1.06 -8.98 -0.43 0
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402734 135057046 1 SO2C13H18 AB2C13D18 -85.98 1.17 -8.63 -0.22 0
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402735 135057064 1 BrClO2H8C11 ABC2D8E11 -51.47 6.13 -9.73 -1.32 0
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402736 135057071 1 OLi2C10H10 AB2C10D10 -43.86 7.35 -6.72 0.9 0
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402737 135057073 2 C3N4H8 A3B4C8 103.56 3.61 -8.57 0.85 0
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402738 135057088 1 O3C10H14 A3B10C14 -108.43 4.43 -8.76 -0.11 0
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402739 135057089 1 NO4C10H15 AB4C10D15 -168.71 2.89 -9.93 0.37 0
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402740 135057090 1 OSC13H18 ABC13D18 -34.15 3.15 -8.44 0.0 0
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402741 135057104 2 OC7H10 AB7C10 -90.72 1.7 -9.55 -0.48 0
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402742 135057105 2 O2C5H6 A2B5C6 -154.76 3.98 -9.86 -0.51 0
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402743 135057106 1 OC12H18 AB12C18 -10.63 2.43 -8.84 -0.13 0
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402744 135057107 1 NOSC9H11 ABCD9E11 17.48 1.27 -8.81 0.02 0
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402745 135057113 1 BO2C13H21 AB2C13D21 -91.97 4.93 -9.25 -0.04 0
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402746 135057115 1 OC13H18 AB13C18 -27.34 1.59 -9.37 0.35 0
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402747 135057120 1 ClN3C9H10 AB3C9D10 54.39 4.56 -10.24 -1.22 0
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402748 135057126 1 IO2C10H11 AB2C10D11 -37.78 1.82 -9.72 -1.66 0
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402749 135057127 1 OC14H18 AB14C18 -30.92 2.41 -9.16 0.41 0
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402750 135057132 1 OS2C8H18 AB2C8D18 -70.37 2.72 -8.32 -0.61 0
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402751 135057134 1 ClON2C12H15 ABC2D12E15 0.45 5.16 -8.66 -0.63 0
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402752 135057137 1 FO3H9C11 AB3C9D11 -127.61 4.14 -9.97 -0.76 0
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402753 135057138 1 BrSH11C13 ABC11D13 59.18 0.61 -8.86 -0.64 0
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402754 135057139 1 Cl2O2H12C13 A2B2C12D13 -74.86 3.61 -9.54 -0.48 0