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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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441203 135233605 1 NOC17H25 ABC17D25 -26.44 5.37 -8.5 -0.39 0
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441204 135233611 2 NH16C24 AB16C24 210.61 2.06 -8.11 -0.61 0
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441205 135233612 1 N3H31C41 A3B31C41 170.29 1.74 -7.99 -0.48 0
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441206 135233614 1 OSC10H14 ABC10D14 -16.36 2.21 -8.84 -0.26 0
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441207 135233617 1 NI2H11C14 AB2C11D14 86.79 4.17 -8.14 -2.68 0
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441208 135233618 1 O2N5C19H27 A2B5C19D27 -8.14 4.39 -8.35 -0.52 0
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441209 135233619 1 NO6C18H25 AB6C18D25 -255.56 5.08 -9.24 -0.8 0
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441210 135233627 1 BrOH23C36 ABC23D36 116.7 0.24 -9.03 -0.89 0
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441211 135233629 1 N5H29C47 A5B29C47 285.19 2.87 -9.42 -1.32 0
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441212 135233633 2 ON3C11H16 AB3C11D16 -42.13 1.78 -8.47 -0.15 0
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441213 135233641 2 NOH15C26 ABC15D26 183.21 4.57 -8.57 -1.1 0
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441214 135233649 1 NC14H15 AB14C15 55.76 1.29 -7.92 -0.2 0
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441215 135233653 1 NO5C17H23 AB5C17D23 -217.65 6.5 -9.4 -0.9 0
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441216 135233654 1 O2N7C20H31 A2B7C20D31 -2.19 1.76 -8.34 -0.37 0
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441217 135233680 1 OS2N6C22H34 AB2C6D22E34 -9.42 3.18 -8.02 -0.57 1
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441218 135233690 1 OPN6C24H42 ABC6D24E42 -24.13 15.74 0.0 0.0 0
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441219 135233703 1 O3C14H16 A3B14C16 -110.55 1.36 -9.74 -0.8 0
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441220 135233706 1 SO2N4C27H42 AB2C4D27E42 -87.36 3.92 -7.9 -0.34 0
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441221 135233711 2 NC11H17 AB11C17 33.32 3.24 -8.1 0.1 0
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441222 135233716 1 NO2C19H37 AB2C19D37 -153.08 4.76 -9.73 1.08 0
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441223 135233718 1 N3H37C52 A3B37C52 225.07 5.46 -7.87 -0.63 0
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441224 135233720 1 SN2O6C26H34 AB2C6D26E34 -171.58 3.36 -8.93 -1.38 0
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441225 135233725 1 N2H34C45 A2B34C45 168.0 3.25 -7.75 -0.58 0
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441226 135233726 1 ON6C24H40 AB6C24D40 -34.47 6.25 -7.94 0.04 0
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441227 135233728 1 O2N7C24H37 A2B7C24D37 -18.37 3.85 -8.27 -0.28 0
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441228 135233730 2 NH17C24 AB17C24 207.94 1.27 -7.92 -0.41 0
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441229 135233731 1 NH23C26 AB23C26 92.27 2.18 -8.2 -0.16 0
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441230 135233734 1 N2O5C35H46 A2B5C35D46 -202.87 3.82 -8.15 -0.16 0
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441231 135233735 1 S2O4N5C27H37 A2B4C5D27E37 -120.27 5.12 -8.58 -0.77 0
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441232 135233736 1 OS2N5C26H39 AB2C5D26E39 -3.38 1.87 -8.1 -0.07 0
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441233 135233740 1 ON3H25C41 AB3C25D41 180.83 1.61 -8.8 -1.12 0
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441234 135233750 2 NH17C24 AB17C24 208.27 2.91 -7.89 -0.37 0
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441235 135233754 1 NH21C22 AB21C22 92.68 2.33 -8.28 -0.47 0
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441236 135233755 2 NH18C23 AB18C23 163.44 0.79 -7.89 -0.39 0
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441237 135233758 1 SN2H28C38 AB2C28D38 191.05 3.42 -8.38 -1.08 0
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441238 135233759 1 OSN5C25H37 ABC5D25E37 -31.96 3.0 -7.95 -0.04 0
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441239 135233763 1 OF2N6H14C18 AB2C6D14E18 -20.67 3.19 -9.05 -0.9 0
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441240 135233766 2 N2C5H6 A2B5C6 55.27 3.35 -8.62 -0.52 0
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441241 135233767 1 O3N4C17H28 A3B4C17D28 -82.19 3.32 -8.25 -0.83 0
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441242 135233768 1 ON4C17H28 AB4C17D28 -41.2 3.18 -8.6 -0.3 0
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441243 135233769 1 O2N3C20H29 A2B3C20D29 -40.56 3.88 -8.52 -0.43 0
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441244 135233772 1 NOC15H19 ABC15D19 -26.75 6.43 -9.45 -0.38 0
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441245 135233774 1 F2N6C11H20 A2B6C11D20 -26.79 5.19 -8.46 0.2 0
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441246 135233780 1 NO2C23H27 AB2C23D27 -48.53 2.66 -9.34 -0.4 0
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441247 135233812 1 N4H44C53 A4B44C53 291.82 3.41 -7.62 -0.66 0
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441248 135233813 2 N2H18C23 A2B18C23 283.5 3.29 -7.63 -0.81 0
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441249 135233814 2 N2H19C25 A2B19C25 276.08 3.8 -7.84 -0.96 0
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441250 135233819 1 NOH41C53 ABC41D53 184.66 4.27 -8.6 -0.71 0
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441251 135233821 1 OI2H8C12 AB2C8D12 47.7 2.43 -8.8 -1.12 0
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441252 135233825 1 ON4H26C39 AB4C26D39 184.56 0.63 -8.23 -1.13 0
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441253 135233826 2 ON2C12H19 AB2C12D19 -90.2 4.83 -8.02 -0.24 0
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441254 135233828 2 N2H19C26 A2B19C26 240.47 4.28 -8.07 -0.37 0
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441255 135233837 1 ON3H39C51 AB3C39D51 190.54 3.7 -8.57 -0.7 0
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441256 135233841 1 ON3H29C45 AB3C29D45 199.75 2.3 -8.84 -1.26 0
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441257 135233846 1 ON3H31C51 AB3C31D51 219.79 1.67 -8.62 -1.17 0
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441258 135233847 1 ON3H35C57 AB3C35D57 247.02 1.43 -8.64 -1.25 0
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441259 135233849 1 O2N3H29C49 A2B3C29D49 192.22 1.62 -8.77 -1.2 0
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441260 135233850 1 ON3H31C49 AB3C31D49 215.74 1.59 -8.73 -1.1 0
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441261 135233851 1 ON3H37C49 AB3C37D49 178.31 4.54 -8.78 -0.68 0
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441262 135233852 1 ON3H31C43 AB3C31D43 183.45 1.29 -8.74 -1.09 0
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441263 135233853 1 O3N5C27H37 A3B5C27D37 -56.55 1.48 -8.46 -0.52 0
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441264 135233855 1 NSH31C45 ABC31D45 167.84 3.2 -8.07 -0.69 0
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441265 135233858 1 O2N3H35C50 A2B3C35D50 174.19 3.63 -8.74 -1.26 0
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441266 135233861 1 BrClSH8C12 ABCD8E12 35.91 2.61 -8.69 -0.91 0
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441267 135233865 1 ON4H30C46 AB4C30D46 252.75 5.36 -9.22 -1.4 0
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441268 135233867 1 ON3H31C45 AB3C31D45 197.6 1.55 -8.84 -1.2 0
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441269 135233870 1 NH31C49 AB31C49 213.51 1.9 -8.1 -0.52 0
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441270 135233874 1 ON4H32C50 AB4C32D50 233.33 3.17 -8.44 -1.25 0
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441271 135233877 1 ON2H28C44 AB2C28D44 170.51 2.22 -8.39 -1.13 0
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441272 135233878 1 ON4H30C46 AB4C30D46 228.71 3.63 -8.83 -1.45 0
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441273 135233887 1 SN3H31C51 AB3C31D51 248.65 1.46 -8.46 -1.06 0
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441274 135233893 1 O2N3H31C51 A2B3C31D51 199.03 2.25 -8.93 -1.13 0
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441275 135233928 1 SO2N6C22H36 AB2C6D22E36 -35.96 8.75 -8.65 -0.65 0
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441276 135233938 1 NC23H23 AB23C23 104.11 1.59 -7.91 0.11 0
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441277 135233942 2 OC8H9 AB8C9 -57.0 3.85 -9.54 -0.7 0