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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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41853 8147332 1 ClN2O2H9C14 AB2C2D9E14 82.06 7.38 -9.03 -1.61 1
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41854 8147337 1 SO2N3H18C19 AB2C3D18E19 38.5 9.34 0.0 0.0 1
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41855 8147339 1 OSN3C19H20 ABC3D19E20 64.34 7.62 0.0 0.0 1
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41856 8147341 1 NO4C22H32 AB4C22D32 -105.02 6.6 0.0 0.0 0
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41857 8147344 1 OSN3C19H19 ABC3D19E19 47.49 6.29 -9.18 -0.59 1
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41859 8147350 1 NO4C20H33 AB4C20D33 -174.99 6.17 -8.7 -0.5 0
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41860 8147360 1 NO4C20H33 AB4C20D33 -178.12 0.75 -8.84 -0.62 2
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41861 8147361 1 N2O4C17H28 A2B4C17D28 -126.49 4.21 -8.77 -0.55 1
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41862 8147369 1 OS2N3H22C23 AB2C3D22E23 80.63 7.52 0.0 0.0 1
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41863 8147375 1 NO4C19H32 AB4C19D32 -160.43 3.02 0.0 0.0 0
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41864 8147378 1 S2N3O3C20H21 A2B3C3D20E21 -56.38 5.7 -9.07 -1.35 1
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41865 8147412 1 O2N4C20H23 A2B4C20D23 -2.46 6.67 0.0 0.0 0
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41866 8147413 2 ON2C10H11 AB2C10D11 -18.05 5.12 -9.25 -0.65 0
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41867 8147453 1 SO2N4C23H26 AB2C4D23E26 -16.79 4.6 -8.56 -0.9 -1
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41868 8147465 1 ClNO4H13C22 ABC4D13E22 -9.38 13.96 0.0 0.0 0
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41869 8147473 1 O3N4C24H24 A3B4C24D24 -14.3 10.46 -8.67 -0.98 0
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41870 8147502 1 SO2F3N3C18H20 AB2C3D3E18F20 -200.86 2.91 -9.43 -0.79 0
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41871 8147541 1 OSN6C19H24 ABC6D19E24 36.14 9.16 -8.61 -0.51 0
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41872 8147545 1 ClOS2N3H16C20 ABC2D3E16F20 54.51 5.76 -9.29 -0.88 1
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41873 8147550 1 O3N5C20H26 A3B5C20D26 -81.6 11.63 0.0 0.0 0
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41874 8147555 1 ON6C14H22 AB6C14D22 2.43 7.52 -8.94 -0.66 1
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41875 8147592 1 ON3C24H32 AB3C24D32 -5.62 8.02 0.0 0.0 0
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41876 8147596 1 SN2O5C19H24 AB2C5D19E24 -224.92 5.35 -9.01 -0.75 1
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41877 8147599 1 ON3C24H32 AB3C24D32 2.38 14.21 0.0 0.0 0
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41878 8147600 1 ON3C24H31 AB3C24D31 -16.63 6.47 -9.14 -0.55 1
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41879 8147617 1 O3N4C21H21 A3B4C21D21 -23.49 7.73 0.0 0.0 0
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41880 8147618 1 O3N4H20C21 A3B4C20D21 -34.35 10.6 -9.2 -1.64 0
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41881 8147631 1 O3N4C20H22 A3B4C20D22 -74.05 10.16 -8.94 -0.58 1
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41882 8147632 1 O3N4C20H23 A3B4C20D23 -54.83 6.58 0.0 0.0 2
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41883 8147636 1 N4O4C23H30 A4B4C23D30 -106.33 4.75 -8.28 -0.51 0
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41884 8147639 1 SO2N5C21H21 AB2C5D21E21 38.81 9.75 -9.17 -0.8 0
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41885 8147641 1 OSN6C21H22 ABC6D21E22 70.42 8.65 -8.68 -0.67 1
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41886 8147644 1 OSN6C18H23 ABC6D18E23 84.08 8.48 0.0 0.0 0
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41887 8147645 1 OSN6C18H22 ABC6D18E22 61.72 8.51 -8.65 -0.5 2
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41888 8147646 2 ON2C11H14 AB2C11D14 -15.19 8.61 -7.14 -0.52 0
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41889 8147663 1 SN3O3C19H19 AB3C3D19E19 -78.77 5.22 -8.87 -0.57 0
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41890 8147665 1 O2S2N5H17C18 A2B2C5D17E18 48.97 5.73 -9.05 -1.5 1
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41891 8147666 1 ON3C19H22 AB3C19D22 29.24 7.86 0.0 0.0 1
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41892 8147671 1 ON3C19H22 AB3C19D22 30.46 8.02 0.0 0.0 0
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41893 8147672 1 ON3C19H21 AB3C19D21 12.83 7.04 -9.16 -0.56 1
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41894 8147673 1 OSN5C23H26 ABC5D23E26 60.78 7.98 0.0 0.0 0
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41895 8147674 1 OSN5C23H25 ABC5D23E25 44.28 9.7 -8.36 -0.57 1
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41896 8147675 1 OSN3C21H26 ABC3D21E26 2.85 7.36 0.0 0.0 1
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41897 8147684 1 OSN3C23H24 ABC3D23E24 49.35 8.65 0.0 0.0 0
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41898 8147687 1 SO2N5C21H21 AB2C5D21E21 32.51 3.53 -9.04 -1.02 0
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41899 8147703 1 NO2C15H17 AB2C15D17 -81.74 2.49 -8.75 -0.06 1
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41900 8147706 1 O4N5C20H24 A4B5C20D24 -110.08 9.63 0.0 0.0 1
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41901 8147713 1 ClON3C19H21 ABC3D19E21 18.43 8.48 0.0 0.0 0
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41902 8147715 1 BrNO2S2H8C13 ABC2D2E8F13 26.74 5.28 -9.77 -1.76 0
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41903 8147719 1 OSN6C22H24 ABC6D22E24 66.63 7.41 -8.64 -0.52 0