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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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82806 49856570 1 NO2C12H15 AB2C12D15 -80.09 4.43 -8.64 -0.08 0
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82807 49856571 1 NO3C16H21 AB3C16D21 -125.91 3.23 -8.96 -0.5 0
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82808 49856575 1 N8O9C24H26 A8B9C24D26 -298.6 4.88 -9.07 -1.57 0
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82811 49856584 1 N4O4H16C21 A4B4C16D21 -30.96 4.1 -9.48 -1.84 0
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82812 49856585 1 NO4C18H21 AB4C18D21 -139.9 2.21 -9.62 -0.52 0
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82813 49856591 1 BrFO3N4C12H14 ABC3D4E12F14 -129.9 2.09 -8.82 -0.48 0
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82814 49856595 1 PSN6O8C22H27 ABC6D8E22F27 -319.74 6.45 -8.89 -1.1 0
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82815 49856599 1 O6C45H82 A6B45C82 -404.65 2.7 -9.48 0.61 0
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82816 49856602 1 F3O4N8H39C42 A3B4C8D39E42 -157.99 5.74 -8.69 -0.5 0
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82817 49856603 1 O5N8H40C41 A5B8C40D41 -35.66 2.8 -8.8 -0.64 0
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82818 49856604 1 NSO13C41H49 ABC13D41E49 -462.69 6.98 -8.6 -1.06 0
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82819 49856605 1 NSO13C42H51 ABC13D42E51 -488.13 6.68 -9.56 -1.17 0
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82820 49856606 1 NSO13C43H53 ABC13D43E53 -424.59 3.32 -8.66 -1.06 0
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82821 49856608 1 N3O4C10H13 A3B4C10D13 -81.19 5.1 -9.84 -1.35 0
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82822 49856609 1 ClN2O2C13H19 AB2C2D13E19 -96.94 1.94 -9.34 -0.21 0
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82823 49856610 1 FN2O2C10H13 AB2C2D10E13 -122.51 4.27 -9.47 -0.04 0
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82824 49856614 1 N2O3C11H16 A2B3C11D16 -115.08 2.25 -8.63 0.28 0
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82825 49856615 1 N2O2C11H16 A2B2C11D16 -73.77 2.53 -9.33 0.28 0
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82830 49856623 1 NO8C23H25 AB8C23D25 -263.46 7.58 -8.79 -0.98 0
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82831 49856628 1 FPO2N6C33H34 ABC2D6E33F34 -3.41 1.78 -8.59 -1.09 0
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82832 49856630 1 FOPN6H28C30 ABCD6E28F30 66.4 3.77 -8.54 -1.06 0
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82833 49856633 2 NS2H8C9 AB2C8D9 90.76 0.52 -8.86 -0.84 0
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82834 49856634 1 ON3C15H19 AB3C15D19 23.4 2.08 -9.11 -0.18 0
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82835 49856637 1 ON3H21C22 AB3C21D22 50.9 4.41 -8.92 -0.76 0
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82836 49856638 1 N5C6H11 A5B6C11 35.82 4.18 -8.76 0.29 0
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82837 49856641 1 OSN4C18H20 ABC4D18E20 23.97 5.06 -9.01 -1.24 0
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82838 49856650 1 N5H23C24 A5B23C24 170.52 4.58 -8.86 -0.08 0
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82839 49856652 1 ClN5H20C21 AB5C20D21 117.13 3.65 -9.08 -0.26 0
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82840 49856654 1 S2N3O9H13C22 A2B3C9D13E22 -112.48 9.63 -9.8 -2.18 0
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82841 49856657 1 N2O2C17H20 A2B2C17D20 -43.76 4.64 -9.14 -0.8 0
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82842 49856658 1 O3N4C17H28 A3B4C17D28 -138.79 4.19 -8.92 0.44 0
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82843 49856659 1 N2O2C17H20 A2B2C17D20 -43.2 3.19 -9.37 -0.66 0
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82844 49856663 1 Cl2N3O3C27H39 A2B3C3D27E39 -137.74 4.11 -8.64 -0.97 0
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82845 49856664 1 NO4C11H11 AB4C11D11 -146.88 5.23 -9.38 -1.44 0
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82846 49856665 1 ClO3N8C23H23 AB3C8D23E23 36.12 8.22 -8.52 -1.38 0
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82847 49856666 1 ClO4N7C23H24 AB4C7D23E24 -42.23 10.13 -8.46 -1.37 0
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82848 49856667 1 ClO3N7C25H26 AB3C7D25E26 -1.23 10.21 -8.56 -1.44 0
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82849 49856668 1 ClO4N7H22C23 AB4C7D22E23 -9.43 11.87 -8.58 -1.73 0
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82850 49856669 1 ClO3N7H20C23 AB3C7D20E23 41.65 8.44 -8.37 -1.56 0
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82851 49856670 1 SF3N4O5H25C27 AB3C4D5E25F27 -262.28 4.76 -9.6 -1.46 0
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82852 49856671 1 F3O3N4H21C25 A3B3C4D21E25 -167.45 2.43 -9.53 -1.54 0
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82853 49856675 1 OF2N5C22H23 AB2C5D22E23 -59.78 3.19 -8.56 -0.31 0
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82854 49856676 1 FON5C22H24 ABC5D22E24 -12.32 2.77 -8.77 -0.12 0
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82855 49856684 1 O2N3H25C27 A2B3C25D27 53.41 1.76 -8.67 -0.52 0
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82856 49856692 1 O3C12H14 A3B12C14 -98.37 2.46 -10.09 -0.65 0
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82857 49856694 1 O4C21H30 A4B21C30 -154.09 2.98 -8.75 0.28 1
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82858 49856698 1 OPSiC30H42 ABCD30E42 -51.18 7.19 0.0 0.0 0
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82859 49856700 1 ON5C18H25 AB5C18D25 14.28 2.08 -8.47 -0.25 0
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82860 49856701 1 ON6C18H24 AB6C18D24 24.97 4.34 -8.23 0.02 0
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82861 49856702 1 ON6C17H22 AB6C17D22 30.55 5.47 -8.6 -0.34 0