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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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427716 135161638 2 N2O2H13C14 A2B2C13D14 -34.32 6.22 -9.36 -0.76 0
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427717 135161667 2 NO2C9H9 AB2C9D9 -88.27 3.48 -8.99 -0.37 0
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427718 135161671 1 F2C11H22 A2B11C22 -155.18 3.2 -10.88 3.18 1
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427719 135161685 1 SN2O9C39H49 AB2C9D39E49 -341.92 12.42 0.0 0.0 0
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427720 135161692 1 NSO4C13H17 ABC4D13E17 -126.5 7.87 -8.77 -0.41 1
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427721 135161695 1 PSN2O9C36H48 ABC2D9E36F48 -352.52 7.48 0.0 0.0 0
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427722 135161717 1 ClNO2C15H22 ABC2D15E22 -79.05 1.85 -9.64 0.28 0
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427723 135161722 1 NSO5C14H19 ABC5D14E19 -172.45 4.62 -9.89 -0.8 0
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427724 135161727 1 ON2C13H26 AB2C13D26 -63.92 2.44 -9.38 1.43 0
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427725 135161728 1 ClNSO2C13H20 ABCD2E13F20 -123.83 5.94 -8.62 0.02 0
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427726 135161729 1 ClSO2C14H21 ABC2D14E21 -117.44 4.63 -8.53 0.19 0
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427727 135161730 1 O3F6H12C17 A3B6C12D17 -371.93 5.74 -9.61 -1.36 0
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427728 135161731 1 NSO2C10H15 ABC2D10E15 -73.63 5.22 -8.81 -0.09 0
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427729 135161732 1 ClSN2O2C12H23 ABC2D2E12F23 -127.05 6.4 -8.08 0.23 0
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427730 135161733 1 ClNSO3C12H18 ABCD3E12F18 -116.98 5.21 -8.86 -0.36 0
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427731 135161768 1 O2N4C19H32 A2B4C19D32 -80.59 6.42 -8.56 0.45 0
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427732 135161782 1 N5C10H21 A5B10C21 57.55 3.19 -8.41 0.98 0
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427733 135161786 1 N4C11H20 A4B11C20 40.14 2.39 -8.41 -0.21 0
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427734 135161787 1 O2N5C17H31 A2B5C17D31 -73.58 2.04 -8.82 0.85 0
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427735 135161825 1 F2N3O3C20H33 A2B3C3D20E33 -255.07 1.82 -8.88 0.91 0
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427736 135161858 1 N3O4C22H39 A3B4C22D39 -198.5 4.63 -9.04 0.84 0
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427737 135161859 1 ClNSO3C19H28 ABCD3E19F28 -122.9 6.52 -8.62 0.02 0
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427738 135161860 1 N3O4C19H31 A3B4C19D31 -197.48 3.52 -8.59 -0.09 0
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427739 135161861 1 NO3C10H17 AB3C10D17 -133.03 3.59 -9.31 0.57 0
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427740 135161862 1 N2O2C13H26 A2B2C13D26 -107.99 4.1 -8.9 1.22 0
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427741 135161863 1 ClNSO3C15H20 ABCD3E15F20 -84.87 7.03 -8.84 -0.42 0
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427742 135161864 1 NC13H27 AB13C27 -35.65 2.22 -8.76 1.48 0
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427743 135161884 1 F2O2N3C13H23 A2B2C3D13E23 -162.08 5.41 -8.82 0.36 0
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427744 135161913 1 F2H16C19 A2B16C19 -13.63 2.94 -9.16 -0.2 0
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427745 135161923 1 N2H48C67 A2B48C67 290.21 2.84 -8.13 -0.52 0
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427746 135161928 1 FNPC20H21 ABCD20E21 93.11 3.92 -8.68 -0.08 0
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427747 135161929 1 O4N5C25H31 A4B5C25D31 -109.03 10.22 -8.77 -0.67 0
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427748 135161983 1 SO5N6C31H38 AB5C6D31E38 -120.99 8.3 -9.11 -1.6 0
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427749 135161985 1 SO3C17H32 AB3C17D32 -161.63 4.13 -9.12 -0.99 0
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427750 135161986 1 F3O4N6C25H27 A3B4C6D25E27 -227.82 10.67 -9.0 -1.52 0
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427751 135161987 1 SO2N6C21H24 AB2C6D21E24 45.27 10.02 -8.79 -1.28 0
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427752 135161988 1 F3O4N6C25H27 A3B4C6D25E27 -257.0 3.04 -9.13 -1.3 0
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427753 135162043 1 SO3N7C26H27 AB3C7D26E27 21.82 6.77 -8.94 -1.73 0
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427754 135162065 1 O4N5C25H31 A4B5C25D31 -91.42 12.3 -8.63 -0.94 0
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427755 135162076 1 O2F3N5C22H28 A2B3C5D22E28 -203.35 10.23 -8.62 -0.84 0
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427756 135162116 1 BrON2S2C13H21 ABC2D2E13F21 -9.71 3.53 -8.84 -0.66 0
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427757 135162178 1 ClON4H9C12 ABC4D9E12 55.96 8.48 -8.99 -1.14 0
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427758 135162180 1 SO4N6C24H28 AB4C6D24E28 -46.62 7.63 -8.93 -1.41 0
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427759 135162189 1 SO2N6C25H30 AB2C6D25E30 20.64 11.14 -8.65 -1.19 0
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427760 135162192 1 SO3N5C14H17 AB3C5D14E17 -48.27 10.26 -8.8 -1.1 0
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427761 135162200 2 ON3H7C8 AB3C7D8 9.95 8.37 -8.87 -1.67 0
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427762 135162224 1 O2N7C24H27 A2B7C24D27 29.49 9.33 -8.7 -1.05 0
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427763 135162288 1 O2F3N5C25H30 A2B3C5D25E30 -176.37 9.56 -8.73 -1.41 0
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427764 135162289 1 FON5H10C15 ABC5D10E15 39.39 8.23 -9.02 -1.65 0
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427765 135162327 1 ClFON5C21H25 ABCD5E21F25 -4.97 10.62 -8.78 -1.24 0