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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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12871 147390 1 O2Cl4C5 A2B4C5 -55.54 3.16 -9.74 -2.17 0
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12872 147404 1 BrO2H11C15 AB2C11D15 12.37 1.89 -9.82 -1.13 0
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12873 147405 2 O2C5H5 A2B5C5 -133.44 2.08 -10.51 -1.97 0
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12874 147407 1 O8C17H24 A8B17C24 -311.15 3.78 -10.01 0.03 0
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12875 147411 2 SO3C6H13 AB3C6D13 -301.42 5.14 -10.86 0.18 0
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12876 147488 1 NO3C13H13 AB3C13D13 -86.25 6.79 -8.98 -0.55 0
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12877 147489 1 NO3C14H15 AB3C14D15 -96.2 6.82 -8.72 -0.42 0
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12878 147491 1 O3N4C14H18 A3B4C14D18 -48.53 8.88 -9.13 -1.8 0
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12879 147509 1 O2C21H28 A2B21C28 -55.89 4.72 -8.5 0.16 0
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12880 147512 1 NO6H9C12 AB6C9D12 -213.11 9.61 -10.72 -2.08 0
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12881 147538 1 OBr2C4H6 AB2C4D6 -40.15 2.38 -10.61 -1.1 0
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12882 147539 1 NPCl2O4C8H8 ABC2D4E8F8 -106.72 6.11 -10.29 -1.42 0
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12883 147641 1 N2O2C7H10 A2B2C7D10 -78.6 3.7 -9.71 -0.77 0
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12884 147684 3 C5H6 A5B6 6.28 0.6 -8.59 0.16 0
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12885 147686 1 N3C9H11 A3B9C11 59.71 6.3 -9.4 -0.2 0
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12886 147769 1 OBr2N6C18H20 AB2C6D18E20 125.85 15.07 -8.29 -1.89 0
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12887 147770 1 ON6C18H19 AB6C18D19 143.03 3.03 0.0 0.0 1
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12888 147793 1 O3N4C10H12 A3B4C10D12 2.87 11.46 -9.71 -0.89 0
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12889 147794 1 O2N3C11H19 A2B3C11D19 -17.65 8.98 -9.14 -0.01 0
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12890 147801 2 NOC7H7 ABC7D7 -9.91 4.24 -9.11 -0.74 0
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12891 147838 1 SO3H16C20 AB3C16D20 -60.68 6.55 -8.46 -1.25 0
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12892 147846 1 SO3H16C20 AB3C16D20 -55.33 5.21 -8.42 -1.36 0
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12893 147878 2 NO2H4C7 AB2C4D7 8.5 7.33 -9.29 -1.83 0
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12894 147892 2 N2O3C7H8 A2B3C7D8 -131.27 4.45 -9.26 -1.61 0
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12895 147907 1 FH11C20 AB11C20 41.6 2.05 -8.88 -1.21 0
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12896 147908 1 SO2H12C16 AB2C12D16 -28.81 3.61 -8.68 -1.03 0
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12897 147912 1 F2O4N8C37H42 A2B4C8D37E42 -112.77 5.07 -8.05 -0.74 0
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12898 147983 1 NH19C22 AB19C22 129.53 1.45 -8.91 -0.4 0
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12899 147986 1 ON2C10H16 AB2C10D16 -34.92 3.91 -7.8 0.41 0
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12900 147988 1 NH23C24 AB23C24 111.34 1.64 -8.82 -0.42 0
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12901 148014 1 O8H14C17 A8B14C17 -264.32 9.57 -9.89 -1.53 0
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12902 148040 1 PN3O7C11H14 AB3C7D11E14 -321.88 3.86 -9.18 -0.59 0
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12903 148083 1 NO10H23C30 AB10C23D30 -329.0 8.6 -8.79 -2.15 0
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12904 148088 2 N2O3C10H14 A2B3C10D14 -170.41 3.3 -9.42 -2.05 0
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12905 148119 1 N2C5H12 A2B5C12 -12.1 0.3 -8.8 2.87 0
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12906 148120 2 O2N3H14C18 A2B3C14D18 -6.48 7.19 -8.32 -0.84 0
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12907 148162 1 N2O5C22H22 A2B5C22D22 -131.3 3.41 -8.6 -0.19 0
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12908 148204 1 SN3O8C37H71 AB3C8D37E71 -457.06 1.59 -8.93 -0.82 0
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12909 148244 1 N3O11C41H47 A3B11C41D47 -360.22 13.55 -8.87 -1.86 0
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12910 148250 4 NOC2H2 ABC2D2 -101.1 5.5 -9.58 -1.16 0
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12911 148262 1 NO4H20C21 AB4C20D21 -80.07 1.06 0.0 0.0 1
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12912 148263 1 NO5H20C21 AB5C20D21 -108.0 2.15 0.0 0.0 1
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12913 148277 1 OCl3N3C18H28 AB3C3D18E28 -121.88 2.29 -9.27 -0.99 0
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12914 148313 4 OC4H5 AB4C5 -185.81 4.93 -9.56 -0.54 0
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12915 148319 1 NO4C26H27 AB4C26D27 -98.06 2.53 -8.91 -0.83 0
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12916 148327 1 OSN3C13H13 ABC3D13E13 30.29 3.06 -8.99 -0.78 0
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12917 148370 2 H5C9 A5B9 118.4 0.02 -8.48 -1.72 0
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12918 148371 2 ON2C4H8 AB2C4D8 -6.89 0.0 -9.59 0.01 0
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12919 148372 1 ON4C10H12 AB4C10D12 40.18 4.04 -8.72 -0.48 0
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12920 148373 1 SF2N3O3H11C14 AB2C3D3E11F14 -74.96 5.71 -9.32 -1.9 0