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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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8797 81614 3 INOC7H14 ABCD7E14 -109.28 16.73 -7.77 -1.92 0
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8798 81620 2 OC3H5 AB3C5 -90.91 1.93 -10.0 0.76 0
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8799 81623 1 ClSC7H7 ABC7D7 23.93 3.19 -8.98 -0.49 0
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8800 81626 1 ClNO3C8H8 ABC3D8E8 -116.13 9.58 -9.12 -0.61 0
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8801 81710 1 N2Cl3C20H27 A2B3C20D27 -39.3 4.96 -9.28 -0.25 0
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8802 81712 1 SC15H32 AB15C32 -70.52 1.95 -8.5 0.88 0
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8803 81727 1 N7H10C12 A7B10C12 208.29 5.26 0.0 0.0 1
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8804 81732 1 N3O5C11H13 A3B5C11D13 -123.89 8.08 -9.83 -1.37 0
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8805 81740 1 ClO2C9H11 AB2C9D11 -66.47 3.93 -8.49 -0.09 0
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8806 81771 2 C3N3H4 A3B3C4 72.76 6.75 -8.57 -0.43 0
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8807 81778 1 ClPS2O3C9H12 ABC2D3E9F12 -171.49 3.5 -9.08 -0.76 0
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8808 81781 1 NO3C27H45 AB3C27D45 -193.37 6.13 -9.41 -0.2 0
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8809 81789 1 O3C15H22 A3B15C22 -130.81 3.88 -8.84 -0.79 0
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8810 81796 1 ClN2O2S3H9C13 AB2C2D3E9F13 -2.48 5.27 -8.9 -1.5 0
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8811 81803 2 O3C12H23 A3B12C23 -345.56 5.2 -9.66 0.48 0
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8812 81812 1 NOC7H17 ABC7D17 -62.23 1.11 -8.81 2.24 0
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8813 81850 1 ClO3H7C9 AB3C7D9 -103.64 3.43 -10.73 -1.8 0
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8814 81857 2 NO2C10H12 AB2C10D12 -157.61 6.18 -9.79 -0.5 0
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8815 81863 2 NO2C3H5 AB2C3D5 -173.03 1.81 -10.26 0.08 0
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8816 81867 1 ClNO2H8C14 ABC2D8E14 -24.77 5.88 -9.04 -1.7 0
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8817 81873 1 N2O3C12H12 A2B3C12D12 -99.6 1.12 -9.98 -0.58 0
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8818 81886 2 C5H6 A5B6 19.11 0.88 -9.19 0.39 0
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8819 81894 1 O2C13H18 A2B13C18 -93.08 1.85 -9.37 0.39 0
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8820 81895 1 OBr3H5C8 AB3C5D8 9.61 3.34 -10.16 -1.58 0
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8821 81906 1 SnO3C19H34 AB3C19D34 -139.71 5.46 -9.54 -0.75 0
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8822 81917 1 O3C7H14 A3B7C14 -151.09 4.05 -10.13 0.49 0
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8823 81920 1 PO2S3C7H17 AB2C3D7E17 -182.02 5.08 -8.59 -0.32 0
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8824 81973 1 N4C5H8 A4B5C8 64.11 7.62 -10.76 -0.06 0
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8825 81975 2 N2C7H8 A2B7C8 71.05 4.13 -8.01 -0.32 0
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8826 81977 1 N2O2H18C19 A2B2C18D19 15.04 3.98 -9.42 -0.6 0
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8827 81987 2 OC5H5 AB5C5 -48.6 1.19 -10.31 -1.84 0
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8828 81988 1 ON2C10H14 AB2C10D14 -30.01 1.92 -8.09 0.35 0
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8829 81989 1 O5H8C14 A5B8C14 -143.47 1.72 -9.09 -1.91 0
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8830 81990 1 ClO2H11C14 AB2C11D14 -43.4 4.24 -9.84 -0.74 0
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8831 82087 1 NOC21H45 ABC21D45 -134.28 2.03 -9.26 2.19 0
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8832 82101 1 PC21H21 AB21C21 41.21 1.27 -8.86 0.36 0
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8833 82121 1 N3O8H9C10 A3B8C9D10 -163.6 5.25 -10.44 -2.06 0
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8834 82125 1 NSi2C9H23 AB2C9D23 -83.99 0.28 -8.8 1.3 0
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8835 82141 1 O3C10H12 A3B10C12 -88.35 6.68 -8.51 -0.53 0
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8836 82152 2 OC12H16 AB12C16 -64.62 2.42 -9.3 0.57 0
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8837 82230 1 BeBr2 AB2 -58.04 0.02 -10.89 0.25 0
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8838 82362 1 Na2S2N6O9H22C27 A2B2C6D9E22F27 -154.78 25.03 -8.38 -1.92 0
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8839 82363 1 S2N6O9H24C27 A2B6C9D24E27 -171.37 9.32 -8.66 -1.6 0
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8840 82381 1 NC8H10 AB8C10 48.76 1.92 0.0 0.0 1
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8841 82386 1 NC13H13 AB13C13 39.6 1.44 -9.32 0.08 0
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8842 82387 1 Cl2H3N3C4 A2B3C3D4 28.92 5.04 -9.95 -0.92 0
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8843 82388 1 NaO3N4S4H17C28 AB3C4D4E17F28 -19.25 11.71 -8.62 -1.41 0
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8844 82389 1 O3N4S4H18C28 A3B4C4D18E28 34.44 5.26 -8.6 -1.61 0
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8845 82394 1 ON2C14H30 AB2C14D30 -103.19 3.21 -9.55 1.13 0
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8846 82396 1 OC15H24 AB15C24 -73.33 1.51 -8.45 0.44 0