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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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41703 8146889 1 SF2O2N3H9C14 AB2C2D3E9F14 -23.61 5.75 -9.56 -1.65 1
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41704 8146890 1 SN4C19H23 AB4C19D23 112.49 4.73 0.0 0.0 0
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41705 8146891 1 SN4C19H22 AB4C19D22 93.33 4.84 -8.26 -0.4 0
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41706 8146892 1 ClF2N2O4H17C19 AB2C2D4E17F19 -230.92 1.3 -9.25 -0.51 0
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41707 8146893 1 SF2N2O2H10C17 AB2C2D2E10F17 -63.94 6.46 -9.2 -1.26 1
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41708 8146894 1 SN4C20H25 AB4C20D25 102.17 5.35 0.0 0.0 0
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41709 8146895 1 SN4C20H24 AB4C20D24 82.85 4.08 -8.2 -0.16 1
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41710 8146896 1 N2O4C20H21 A2B4C20D21 -75.85 8.23 0.0 0.0 0
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41711 8146897 2 NO2C10H10 AB2C10D10 -79.56 7.42 -8.78 -1.21 1
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41712 8146905 1 OSN4C22H27 ABC4D22E27 51.09 6.47 0.0 0.0 0
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41713 8146907 1 SF2O4H12C15 AB2C4D12E15 -215.67 4.35 -9.17 -0.92 0
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41714 8146909 1 ON3C22H27 AB3C22D27 -3.56 6.04 -8.9 -0.77 1
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41715 8146910 1 SO2N5C21H26 AB2C5D21E26 36.01 10.26 0.0 0.0 0
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41716 8146913 1 SO2N5C21H25 AB2C5D21E25 16.28 3.2 -8.25 -0.89 0
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41717 8146917 1 BrOSN4C15H19 ABCD4E15F19 27.88 4.31 -8.31 -0.88 1
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41718 8146925 1 N2O3C14H17 A2B3C14D17 -73.92 7.54 0.0 0.0 1
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41719 8146932 1 ClON3C22H27 ABC3D22E27 0.68 8.09 0.0 0.0 0
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41720 8146943 1 ON3C23H29 AB3C23D29 -9.25 6.66 -9.01 -0.7 0
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41721 8146946 1 SN2O3C22H26 AB2C3D22E26 -94.69 3.83 -8.41 -0.16 0
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41722 8146956 1 SO2N3C24H27 AB2C3D24E27 -16.3 5.01 -8.53 -1.06 0
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41723 8146966 1 BrSO2N3H14C17 ABC2D3E14F17 36.69 7.86 -8.98 -0.91 0
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41724 8146970 1 FSO3N4H17C19 ABC3D4E17F19 -55.25 4.09 -8.97 -0.84 0
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41725 8146977 1 O2N5C19H21 A2B5C19D21 26.02 9.25 -9.22 -1.22 1
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41726 8146978 1 OS2N4C21H23 AB2C4D21E23 56.94 17.19 0.0 0.0 1
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41727 8146988 1 OSN4C22H23 ABC4D22E23 54.45 13.42 0.0 0.0 0
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41728 8146989 1 OSN4C22H22 ABC4D22E22 43.73 5.03 -8.59 -1.01 1
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41729 8146991 1 OS2N4C21H23 AB2C4D21E23 49.83 12.22 0.0 0.0 0
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41730 8146992 1 OS2N4C21H22 AB2C4D21E22 39.68 2.2 -8.54 -0.99 0
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41731 8146996 1 ClN3O4C14H18 AB3C4D14E18 -81.47 6.3 -9.61 -1.4 0
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41732 8146998 1 ClN3O4C14H18 AB3C4D14E18 -90.4 3.4 -9.48 -1.69 0
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41733 8147002 1 ClN3O4C14H18 AB3C4D14E18 -90.68 3.35 -9.45 -1.66 1
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41734 8147003 1 SO3N4C19H23 AB3C4D19E23 -67.61 14.69 0.0 0.0 0
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41735 8147004 1 SO3N4C19H22 AB3C4D19E22 -77.0 7.57 -8.74 -1.16 1
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41736 8147005 1 SO2N4C20H21 AB2C4D20E21 34.49 14.18 0.0 0.0 0
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41737 8147006 1 SO2N4C20H20 AB2C4D20E20 19.15 2.26 -8.66 -1.04 0
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41738 8147011 2 ON2C10H10 AB2C10D10 19.04 6.88 -8.88 -0.84 0
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41739 8147012 1 O3N5C19H21 A3B5C19D21 -24.82 2.97 -9.26 -1.14 1
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41740 8147013 1 O2N4C20H21 A2B4C20D21 36.16 8.01 0.0 0.0 0
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41741 8147014 2 ON2C10H10 AB2C10D10 18.98 6.53 -8.85 -0.86 0
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41742 8147015 1 O3N5C19H21 A3B5C19D21 -24.97 2.78 -9.17 -1.11 0
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41743 8147016 1 O3N5C19H21 A3B5C19D21 -25.22 3.18 -9.01 -0.93 0
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41744 8147017 1 ClOSN6H15C18 ABCD6E15F18 86.38 6.21 -9.51 -1.28 0
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41745 8147019 1 OSN6H18C19 ABC6D18E19 89.01 6.03 -9.17 -1.22 0
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41746 8147020 1 OSN6H18C19 ABC6D18E19 88.79 4.05 -9.24 -1.15 1
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41747 8147023 1 FON3C19H19 ABC3D19E19 21.27 5.78 0.0 0.0 0
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41748 8147024 1 FON3H18C19 ABC3D18E19 2.14 6.75 -9.26 -0.66 1
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41749 8147026 1 FOSN3C21H23 ABCD3E21F23 -8.92 5.93 0.0 0.0 1
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41750 8147029 1 FOSN3H21C23 ABCD3E21F23 40.69 8.52 0.0 0.0 0
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41751 8147031 1 N2O5H22C23 A2B5C22D23 -150.93 5.1 -8.78 -0.64 1
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41752 8147032 1 ClFON3H18C19 ABCD3E18F19 6.03 6.86 0.0 0.0 0