List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
13124 221751 1 O3C15H22 A3B15C22 -139.8 2.39 -8.55 0.49 0
13125 221752 1 O2C15H26 A2B15C26 -142.68 2.22 -10.37 0.98 0
13126 221763 1 O5C9H18 A5B9C18 -228.99 3.23 -10.1 -0.16 0
13127 221783 1 OC13H18 AB13C18 -33.69 2.28 -9.23 0.32 0
13128 221803 1 NOCl2C11H13 ABC2D11E13 -56.64 3.55 -9.86 -0.89 0
13129 221837 1 NOC13H19 ABC13D19 -47.93 3.53 -9.16 -0.06 0
13130 221854 1 N2O5H10C16 A2B5C10D16 26.65 8.59 -9.64 -1.84 0
13131 221861 1 NO4C17H17 AB4C17D17 -53.4 4.97 -9.36 -1.98 0
13132 221864 1 NO2C19H23 AB2C19D23 -80.55 4.36 -8.58 -0.56 0
13133 221865 1 N3O4H17C20 A3B4C17D20 66.21 9.66 -9.54 -1.44 0
13134 221874 1 ClN2O4H19C20 AB2C4D19E20 -108.88 1.69 -9.43 -0.77 0
13135 221875 1 BrClO2C4H6 ABC2D4E6 -100.16 2.75 -10.75 -0.41 0
13136 221900 1 ClO2C11H13 AB2C11D13 -84.45 3.02 -9.52 -0.2 0
13137 221901 1 ClO2C11H13 AB2C11D13 -83.13 2.77 -9.43 -0.13 0
13138 221902 1 ClO2C11H13 AB2C11D13 -82.38 4.42 -9.46 -0.2 0
13139 221919 1 Cl2O2C13H16 A2B2C13D16 -104.5 3.44 -9.5 -0.5 0
13140 221926 1 O2C13H18 A2B13C18 -90.52 1.6 -9.17 0.52 0
13141 221957 2 OC9H16 AB9C16 -158.39 2.33 -10.54 0.93 0
13142 221958 1 O3C18H34 A3B18C34 -199.26 2.85 -9.85 0.67 0
13143 221959 1 O2C19H28 A2B19C28 -111.83 1.45 -9.61 0.08 0
13144 221962 1 NO2C6H13 AB2C6D13 -110.18 3.41 -9.83 1.04 0
13145 221970 1 ClOC9H11 ABC9D11 -45.92 1.99 -9.54 -0.16 0
13146 221992 1 ClO2C12H15 AB2C12D15 -89.94 2.57 -9.59 -0.28 0
13147 221996 1 ON2C12H18 AB2C12D18 -25.76 2.93 -8.79 0.16 0
13148 221998 1 NO4C12H23 AB4C12D23 -137.79 6.48 -10.45 -0.36 0
13149 222079 1 N3O4C6H7 A3B4C6D7 -92.65 6.98 -9.02 -1.2 0
13150 222126 1 ClO3C21H25 AB3C21D25 -130.92 1.63 -9.05 -1.08 0
13151 222211 1 Br2O4C13H22 A2B4C13D22 -214.78 2.17 -10.75 -0.87 0
13152 222214 1 O5C14H26 A5B14C26 -261.14 1.28 -10.77 -0.09 0
13153 222215 1 O6C15H28 A6B15C28 -296.11 2.41 -9.98 -0.18 0
13154 222221 1 N3O3C5H11 A3B3C5D11 -125.19 4.77 -9.92 -0.01 0
13155 222250 1 ClN5C6H6 AB5C6D6 71.49 3.16 -9.23 -0.7 0
13156 222254 1 BrClON4H8C12 ABCD4E8F12 71.54 1.77 -9.64 -1.09 0
13157 222270 1 NO3C20H23 AB3C20D23 -74.54 5.2 -8.69 -0.32 0
13158 222299 1 S2C3H4N4 A2B3C4D4 67.05 2.83 -9.66 -1.23 0
13159 222300 2 C2N3H4 A2B3C4 56.98 4.29 -9.17 -0.18 0
13160 222307 1 SO6C14H26 AB6C14D26 -304.73 5.95 -10.77 0.3 0
13161 222308 2 NC7H14 AB7C14 -20.63 4.69 -9.6 1.02 0
13162 222334 1 ClO2C11H13 AB2C11D13 -86.16 2.98 -9.79 -0.8 0
13163 222335 1 ClO2C11H13 AB2C11D13 -91.29 2.25 -9.93 -0.87 0
13164 222337 1 ClO3C11H13 AB3C11D13 -117.77 3.51 -9.08 -0.06 0
13165 222338 1 BrO2C11H21 AB2C11D21 -135.72 2.8 -10.67 -0.76 0
13166 222343 2 OC6H7 AB6C7 -76.15 2.43 -10.02 -0.54 0
13167 222368 1 ClO2C9H9 AB2C9D9 -74.53 3.36 -9.41 -0.2 0
13168 222370 2 ClOC5H5 ABC5D5 -89.74 3.23 -9.81 -0.81 0
13169 222385 1 ClO2C13H15 AB2C13D15 -92.19 2.33 -9.92 -0.86 0
13170 222389 1 ClO3C13H17 AB3C13D17 -130.95 2.6 -9.97 -1.02 0
13171 222394 1 ClO2C14H17 AB2C14D17 -91.63 2.44 -9.35 -0.13 0
13172 222395 1 ClO2C14H19 AB2C14D19 -105.16 2.22 -9.92 -0.86 0
13173 222410 2 OC8H14 AB8C14 -149.35 2.1 -10.52 1.01 0