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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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410816 135083617 1 AlSC6H15 ABC6D15 -60.34 2.15 -8.83 0.9 0
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410817 135083618 1 OC17H22 AB17C22 19.03 1.86 -9.18 0.46 0
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410818 135083619 7 CH2 AB2 60.42 0.23 -9.98 0.94 0
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410819 135083620 1 NOSC8H17 ABCD8E17 -46.02 2.97 -8.26 0.54 0
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410820 135083621 1 BO2C13H19 AB2C13D19 -134.35 1.72 -9.21 0.33 0
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410821 135083622 1 NOSiC12H27 ABCD12E27 -113.31 1.64 -8.22 1.17 0
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410822 135083623 4 OC3H3 AB3C3 -120.55 5.96 -8.98 -0.86 0
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410823 135083624 2 OC4H6 AB4C6 -42.38 4.36 -9.81 0.73 0
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410824 135083625 1 NO2C13H15 AB2C13D15 -44.16 2.57 -8.99 -0.19 0
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410825 135083626 1 NC14H19 AB14C19 12.55 1.92 -9.26 -0.04 0
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410827 135083628 1 LiO2C8H15 AB2C8D15 -72.93 4.78 -7.49 1.62 0
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410828 135083629 1 NSO3C9H15 ABC3D9E15 -128.29 3.01 -8.56 -0.26 0
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410829 135083630 1 BO2C12H23 AB2C12D23 -162.18 2.99 -9.62 1.17 0
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410830 135083631 1 OC15H16 AB15C16 43.28 1.87 -9.26 0.32 0
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410831 135083632 1 NSO4C9H9 ABC4D9E9 -101.04 4.07 -9.33 -0.8 0
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410832 135083633 1 K2N2C11H12 A2B2C11D12 -6.53 14.18 -5.86 0.09 0
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410833 135083634 1 SO2N3C10H17 AB2C3D10E17 -51.99 4.8 -8.54 -0.43 0
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410834 135083635 1 NO2F3C6H8 AB2C3D6E8 -245.6 1.53 -9.76 -0.73 0
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410835 135083636 1 ON2C12H18 AB2C12D18 -5.08 2.23 -8.39 0.1 0
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410836 135083637 1 SeN2O2C9H16 AB2C2D9E16 -90.62 6.48 -8.34 -0.07 0
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410837 135083638 1 BKNOF3C8H14 ABCDE3F8G14 -403.92 7.3 -8.95 0.51 -1
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410838 135083639 1 BNOF3C8H14 ABCD3E8F14 -288.79 12.08 0.0 0.0 0
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410839 135083640 1 BKNOF3C6H12 ABCDE3F6G12 -395.97 11.37 -8.57 0.14 -1
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410840 135083641 1 BNOF3C6H12 ABCD3E6F12 -268.15 20.21 0.0 0.0 0
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410841 135083642 1 O2C9H12 A2B9C12 -41.94 1.59 -9.49 0.39 0
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410842 135083643 1 O3C13H16 A3B13C16 -38.71 4.57 -9.65 0.14 0
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410843 135083644 1 Li2S2C3H6 A2B2C3D6 -83.35 0.46 -8.37 1.08 0
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410844 135083645 1 NO2C13H23 AB2C13D23 -104.09 2.75 -9.4 0.85 0
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410845 135083646 1 ClON2C8H15 ABC2D8E15 -31.43 6.24 -8.5 -0.25 0
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410846 135083647 2 O2C5H7 A2B5C7 -163.09 3.79 -10.54 0.71 0
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410847 135083648 1 OSiC12H24 ABC12D24 -108.38 2.23 -9.16 1.13 0
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410848 135083649 1 O6C11H12 A6B11C12 -180.69 3.77 -10.66 -1.16 0
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410849 135083650 1 NO2C13H19 AB2C13D19 -97.74 3.01 -9.42 0.32 0
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410850 135083651 1 NOH13C15 ABC13D15 29.54 3.1 -9.6 -1.14 0
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410851 135083652 1 NOC12H15 ABC12D15 10.04 0.52 -8.55 0.18 0
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410852 135083653 1 OC14H18 AB14C18 -0.44 3.2 -9.11 0.4 0
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410853 135083654 1 NOC12H13 ABC12D13 -22.62 3.99 -8.2 -0.03 0
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410854 135083655 1 OSiC16H30 ABC16D30 -104.65 1.25 -8.77 0.92 0
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410855 135083656 1 NNaC6H8 ABC6D8 0.26 8.56 -6.87 0.3 0
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410856 135083657 1 BrNO3H10C12 ABC3D10E12 -82.02 2.39 -9.81 -1.1 0
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410857 135083658 1 NSeC5H5 ABC5D5 84.04 5.17 -8.45 -0.29 0
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410858 135083659 1 BrNS2C10H10 ABC2D10E10 55.74 2.13 -8.61 -0.6 0
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410859 135083660 1 O3C27H32 A3B27C32 -97.1 2.2 -9.18 0.09 0
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410860 135083661 1 PN2O2C10H13 AB2C2D10E13 -35.13 3.66 -9.19 -0.63 1
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410861 135083662 1 PN2O2C10H14 AB2C2D10E14 -19.51 2.19 0.0 0.0 0
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410862 135083663 1 OC10H18 AB10C18 -68.52 2.3 -9.34 1.35 0
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410863 135083664 1 BKF3C8H15 ABC3D8E15 -357.59 9.12 -7.87 0.22 -1
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410864 135083665 1 BF3C8H15 AB3C8D15 -272.96 0.94 0.0 0.0 0
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410865 135083666 1 SiO2C11H22 AB2C11D22 -153.31 3.17 -9.48 0.56 0
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410866 135083667 2 OC5H10 AB5C10 -111.91 2.93 -8.72 1.41 0