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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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35650 7980145 1 SO2N4H12C18 AB2C4D12E18 118.97 2.6 -9.49 -1.71 0
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35651 7980147 1 NO4C26H27 AB4C26D27 -98.62 5.2 -8.5 -1.07 0
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35652 7980149 1 NO3H21C23 AB3C21D23 -70.69 4.87 -8.76 -0.83 0
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35653 7980150 1 FNO4C18H18 ABC4D18E18 -175.32 3.55 -8.83 -0.57 1
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35654 7980151 1 OCl2N3C11H14 AB2C3D11E14 -28.42 2.35 0.0 0.0 0
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35655 7980152 1 NO7H17C19 AB7C17D19 -217.35 6.96 -8.91 -0.88 1
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35656 7980154 1 N3O5C21H34 A3B5C21D34 -157.71 1.67 0.0 0.0 1
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35657 7980155 1 ON6C22H23 AB6C22D23 92.06 7.83 0.0 0.0 0
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35658 7980160 1 NO5C23H31 AB5C23D31 -174.42 2.78 -8.66 0.24 0
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35659 7980162 1 NO5C23H31 AB5C23D31 -173.29 3.97 -8.54 0.12 0
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35660 7980164 1 N2O5C18H18 A2B5C18D18 -104.7 9.33 -9.41 -0.98 0
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35661 7980165 1 N2O6H16C17 A2B6C16D17 -128.94 10.49 -9.21 -1.38 0
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35662 7980167 1 NF3O3H16C18 AB3C3D16E18 -255.55 3.93 -9.4 -0.86 0
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35663 7980168 1 N2O3C18H22 A2B3C18D22 -91.49 3.74 -9.76 -0.5 0
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35664 7980169 1 ClNO3C18H18 ABC3D18E18 -106.35 4.17 -9.43 -0.82 0
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35665 7980170 1 ClNO3C18H18 ABC3D18E18 -106.23 6.27 -9.42 -0.86 0
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35666 7980171 1 NO5C19H19 AB5C19D19 -160.1 5.03 -8.71 -0.79 0
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35667 7980172 1 NO5C19H19 AB5C19D19 -160.15 5.26 -8.76 -0.83 0
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35668 7980173 1 N2O3H18C19 A2B3C18D19 -50.07 2.12 -8.94 -0.66 0
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35669 7980174 1 ClNO3C18H18 ABC3D18E18 -104.23 6.09 -9.45 -0.8 0
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35670 7980177 1 NO6H17C19 AB6C17D19 -191.7 3.91 -8.71 -0.82 0
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35671 7980179 1 SN2O4H18C20 AB2C4D18E20 -80.58 6.55 -8.9 -0.38 0
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35672 7980180 1 SN2O4H20C21 AB2C4D20E21 -83.34 1.9 -9.14 -0.74 0
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35673 7980181 1 BrNO4C18H18 ABC4D18E18 -115.61 4.47 -9.36 -0.44 0
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35674 7980182 1 BrNO4C18H18 ABC4D18E18 -118.96 2.65 -9.3 -0.34 0
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35675 7980183 1 NCl2O4H17C18 AB2C4D17E18 -137.76 4.67 -9.44 -0.48 0
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35676 7980184 1 NCl2O4H17C18 AB2C4D17E18 -137.25 1.2 -9.29 -0.62 0
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35677 7980185 1 O6H16C19 A6B16C19 -188.11 1.62 -9.22 -1.27 0
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35678 7980188 1 N3O4C18H21 A3B4C18D21 -100.69 4.16 -9.42 -0.42 0
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35679 7980189 2 NO2H8C9 AB2C8D9 -67.58 5.49 -9.69 -0.23 0
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35680 7980190 1 NSO6C15H19 ABC6D15E19 -232.51 6.07 -9.35 -0.63 0
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35681 7980191 1 NSO6C15H19 ABC6D15E19 -235.25 6.05 -9.05 -0.34 0
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35682 7980192 1 NO5C25H29 AB5C25D29 -166.96 3.23 -8.98 0.05 0
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35683 7980193 1 SN2O4H18C19 AB2C4D18E19 -70.37 2.7 -8.52 -0.61 0
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35684 7980196 2 NO3C9H9 AB3C9D9 -132.7 4.81 -9.06 -1.58 0
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35685 7980199 1 BrNO4C18H18 ABC4D18E18 -124.16 1.07 -9.21 -0.26 0
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35686 7980200 1 N2O5C14H16 A2B5C14D16 -161.6 3.23 -9.32 -0.48 0
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35687 7980201 1 N2O5C19H24 A2B5C19D24 -192.96 1.82 -9.2 -0.43 0
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35688 7980205 1 ClN2O6H13C16 AB2C6D13E16 -125.62 8.12 -9.62 -1.52 0
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35689 7980207 1 NO4H23C24 AB4C23D24 -99.1 3.18 -8.73 -0.4 0
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35690 7980208 1 NO5C19H19 AB5C19D19 -160.0 3.51 -9.31 -0.76 0
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35691 7980209 1 NO5C19H19 AB5C19D19 -160.25 5.83 -9.22 -0.71 0
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35692 7980210 1 NO5H21C23 AB5C21D23 -124.61 4.35 -8.94 -0.46 0
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35693 7980211 1 NCl2O4H15C17 AB2C4D15E17 -135.11 3.76 -9.15 -0.75 0
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35694 7980212 1 NO5H21C24 AB5C21D24 -122.62 4.99 -9.11 -0.72 0
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35695 7980213 1 NO5H21C24 AB5C21D24 -121.18 6.03 -9.27 -0.7 0
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35696 7980214 1 NO4C19H21 AB4C19D21 -127.88 4.14 -8.75 0.01 0
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35697 7980215 1 NO5H23C24 AB5C23D24 -129.03 4.0 -8.53 -0.2 0
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35698 7980216 1 NO5H23C24 AB5C23D24 -124.82 4.8 -8.46 -0.28 0
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35699 7980217 1 INO4H14C16 ABC4D14E16 -93.59 3.05 -9.13 -1.07 0
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35700 7980218 1 N2O6H16C17 A2B6C16D17 -125.75 9.21 -9.57 -1.36 0
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35701 7980219 1 NO4H19C22 AB4C19D22 -87.51 3.71 -8.69 -0.39 0
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35702 7980220 1 ClN2O4H13C17 AB2C4D13E17 -59.8 3.66 -9.27 -1.31 0
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35703 7980221 1 N2O5H12C15 A2B5C12D15 -73.97 5.48 -9.26 -1.19 0
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35704 7980222 2 ClNO2H7C8 ABC2D7E8 -121.38 3.35 -9.15 -0.78 0
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35705 7980223 1 NO4H19C24 AB4C19D24 -58.07 6.3 -8.82 -0.69 0
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35706 7980224 1 NO4H19C24 AB4C19D24 -52.6 3.22 -8.97 -0.57 0
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35707 7980225 1 NO4H21C23 AB4C21D23 -87.09 2.57 -8.64 -0.4 0
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35708 7980226 1 NO4H21C23 AB4C21D23 -91.06 1.21 -8.69 -0.49 0
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35709 7980227 1 NSO6H19C20 ABC6D19E20 -158.23 10.03 -9.06 -0.71 0
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35710 7980228 1 NO6C20H21 AB6C20D21 -209.31 6.21 -9.19 -0.75 0
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35711 7980230 1 NSO6C20H23 ABC6D20E23 -210.5 4.93 -8.92 -0.23 0
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35712 7980232 1 SN2O4C22H22 AB2C4D22E22 -97.96 6.37 -8.89 -0.41 0
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35713 7980233 1 SN2O4C22H22 AB2C4D22E22 -85.0 3.15 -9.1 -0.69 0
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35714 7980234 1 N2O4C13H14 A2B4C13D14 -109.3 6.52 -9.38 -0.41 0
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35715 7980235 1 SN2O4C22H22 AB2C4D22E22 -89.2 2.92 -8.98 -0.6 0
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35716 7980236 1 NO4C20H23 AB4C20D23 -135.47 2.22 -9.25 -0.22 0
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35717 7980238 1 SN2O5H20C21 AB2C5D20E21 -119.19 7.83 -8.76 -0.41 0
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35718 7980239 1 ClSN2O4H17C20 ABC2D4E17F20 -89.87 5.42 -8.99 -0.72 0
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35719 7980240 1 INO4H14C16 ABC4D14E16 -93.74 4.93 -9.17 -0.81 0
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35720 7980241 1 FNO4H16C17 ABC4D16E17 -157.15 4.04 -9.0 -0.24 0
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35721 7980243 1 SN2O4H18C20 AB2C4D18E20 -83.4 3.62 -8.44 -0.66 0
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35722 7980244 1 SN2O5H18C19 AB2C5D18E19 -126.82 4.96 -8.79 -0.87 0
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35723 7980245 1 NSO6C20H21 ABC6D20E21 -211.92 2.14 -8.64 -0.76 0
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35724 7980246 1 NO6C19H19 AB6C19D19 -202.92 4.46 -9.14 -0.63 0
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35725 7980247 1 NO6C20H21 AB6C20D21 -209.05 4.73 -9.29 -0.74 0
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35726 7980248 1 ClN2O6H17C18 AB2C6D17E18 -176.73 5.15 -9.25 -0.87 0
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35727 7980249 1 NO5C18H19 AB5C18D19 -152.18 3.84 -8.94 -0.16 0
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35728 7980250 1 NSO6C20H23 ABC6D20E23 -222.5 3.09 -9.02 -0.85 0
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35729 7980251 1 NSO6C20H21 ABC6D20E21 -193.63 3.21 -8.95 -0.95 0
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35730 7980252 1 FNO4H18C22 ABC4D18E22 -127.13 5.12 -9.06 -0.49 0
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35731 7980253 1 FNO4H18C22 ABC4D18E22 -128.09 3.99 -9.07 -0.53 0
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35732 7980255 1 NO4H17C19 AB4C17D19 -88.18 5.13 -8.95 -0.63 0
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35733 7980256 1 NO4H17C19 AB4C17D19 -91.31 5.18 -8.89 -0.66 0
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35734 7980257 1 FN2O5H15C17 AB2C5D15E17 -196.73 3.33 -9.11 -0.68 0
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35735 7980258 1 N2O5C13H14 A2B5C13D14 -168.41 4.03 -9.04 -0.05 0
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35736 7980265 2 O3H8C9 A3B8C9 -173.03 6.1 -8.87 -0.86 0
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35737 7980266 1 SN2O4H16C18 AB2C4D16E18 -79.88 1.58 -8.78 -0.9 0
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35738 7980268 1 SN2O4C20H20 AB2C4D20E20 -95.06 7.56 -9.12 -0.78 0
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35739 7980269 1 NO4C22H27 AB4C22D27 -140.02 3.79 -9.11 0.1 0
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35740 7980270 1 NO4C11H13 AB4C11D13 -135.26 2.72 -9.27 -0.18 0
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35741 7980271 1 NSO7C19H21 ABC7D19E21 -261.6 8.47 -8.8 -0.97 0
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35742 7980272 1 O6H14C17 A6B14C17 -162.64 4.45 -8.95 -1.05 0
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35743 7980273 2 NO2C8H10 AB2C8D10 -125.07 1.21 -9.06 0.06 0
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35744 7980274 2 NO2C8H10 AB2C8D10 -122.61 6.36 -9.39 -0.45 0
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35745 7980275 1 NF2O6H13C17 AB2C6D13E17 -286.45 6.93 -9.19 -0.83 0
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35746 7980276 1 NSO6C14H17 ABC6D14E17 -222.12 9.01 -9.42 -0.53 0
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35747 7980277 1 NSO6C14H17 ABC6D14E17 -224.29 6.58 -9.41 -0.43 0
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35748 7980279 1 NO4C19H21 AB4C19D21 -130.61 2.49 -9.02 -0.18 0
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35749 7980280 1 SN2O4H20C21 AB2C4D20E21 -81.04 2.94 -8.97 -0.92 0