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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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