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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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27123 814458 1 N3O3C11H17 A3B3C11D17 -81.17 6.22 -9.46 0.02 0
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27124 814487 1 N3O4C15H17 A3B4C15D17 -77.23 3.88 -9.4 -0.51 0
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27125 814750 1 ION2H9C12 ABC2D9E12 34.67 5.27 -9.69 -1.31 0
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27126 814752 1 ON2C21H22 AB2C21D22 28.89 6.12 -8.29 0.04 0
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27127 814753 1 OSN2C20H22 ABC2D20E22 13.72 4.15 -8.14 0.15 0
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27128 814754 1 OSN2C20H22 ABC2D20E22 14.07 5.94 -8.22 0.14 0
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27129 814755 1 ION2H9C12 ABC2D9E12 35.09 6.05 -9.56 -1.4 0
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27130 815017 1 N2O3H18C19 A2B3C18D19 -81.86 6.35 -9.29 -1.67 0
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27131 815111 1 NOC15H23 ABC15D23 -46.74 1.87 -8.62 0.38 0
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27132 815154 1 N2O3C17H24 A2B3C17D24 -127.93 5.08 -9.04 0.48 0
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27133 815281 1 NOSF3H14C17 ABCD3E14F17 -150.11 7.01 -9.2 -0.75 0
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27134 815283 1 NOSF3C14H16 ABCD3E14F16 -195.2 6.58 -9.23 -0.63 0
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27135 815284 1 N2O3C15H16 A2B3C15D16 -77.22 3.8 -9.32 -0.52 0
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27136 815296 1 NSO2F3H12C15 ABC2D3E12F15 -178.1 6.61 -9.25 -0.79 0
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27137 815303 1 NOSF3C16H18 ABCD3E16F18 -194.34 6.48 -9.18 -0.71 0
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27138 815317 1 FN2O2H15C17 AB2C2D15E17 -60.56 3.93 -9.45 -0.55 0
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27139 815321 1 OSN2C17H26 ABC2D17E26 -49.22 5.77 -9.09 -0.34 0
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27140 815326 1 ClSN2O2H15C16 ABC2D2E15F16 -23.3 4.62 -9.26 -0.56 0
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27141 815412 1 NOS2C11H15 ABC2D11E15 -25.66 4.97 -8.94 -0.38 0
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27142 815565 1 NOSC16H23 ABCD16E23 -51.53 3.08 -8.88 -0.2 0
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27143 815578 1 NOSC21H25 ABCD21E25 -22.84 3.64 -8.86 -0.14 0
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27144 815630 1 OSN2H16C17 ABC2D16E17 17.62 6.17 -8.91 -0.74 0
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27145 815631 1 OSN2C18H22 ABC2D18E22 -6.31 3.06 -8.55 0.1 0
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27146 815632 1 OSN2C18H22 ABC2D18E22 -3.49 2.0 -8.52 0.04 0
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27147 815726 1 NS2O3H13C15 AB2C3D13E15 -45.52 4.65 -8.68 -0.89 0
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27148 815871 1 SN2O2C17H18 AB2C2D17E18 -39.52 3.97 -8.66 -0.85 0
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27149 816069 1 SN3O4C16H19 AB3C4D16E19 -112.27 9.58 -8.84 -0.23 0
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27150 816650 1 NO3C11H15 AB3C11D15 -125.62 2.68 -9.1 0.28 0
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27151 816662 2 ON2C8H12 AB2C8D12 -70.94 3.54 -9.65 -1.2 0
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27152 816671 1 N2O2H12C13 A2B2C12D13 -17.14 5.26 -8.87 -0.63 0
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27153 816741 2 OC6H7 AB6C7 -55.99 2.34 -9.58 0.18 0
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27154 816742 2 OC6H7 AB6C7 -57.5 1.55 -9.59 0.18 0
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27155 816746 1 NOH13C14 ABC13D14 10.14 2.62 -9.33 -0.75 0
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27156 816757 1 NSO2C10H11 ABC2D10E11 -33.06 8.91 -10.48 -0.87 0
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27157 816758 1 NSO2C10H11 ABC2D10E11 -54.2 5.95 -9.22 -1.1 0
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27158 816937 1 NO4C18H19 AB4C18D19 -123.35 1.81 -8.39 -0.07 0
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27159 816938 1 N2O4C15H22 A2B4C15D22 -136.82 5.77 -8.6 -0.14 0
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27160 816961 1 SO2N3C15H17 AB2C3D15E17 -57.84 6.12 -8.96 -0.8 0
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27161 816964 1 OSN3C10H11 ABC3D10E11 -11.19 4.23 -8.45 -0.42 0
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27162 817186 1 SN3O4H15C16 AB3C4D15E16 -62.66 5.25 -9.4 -1.44 0
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27163 817207 1 O2F3N3C15H18 A2B3C3D15E18 -201.31 6.69 -8.52 -0.42 0
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27164 817471 1 ON4C10H12 AB4C10D12 6.67 9.54 -8.61 -0.36 0
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27165 817829 1 NO2C13H15 AB2C13D15 -64.65 5.47 -8.69 -0.35 0
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27166 817948 1 ON2H8C12 AB2C8D12 34.54 1.97 -9.14 -1.4 0
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27167 817998 1 ClFN2O2C16H16 ABC2D2E16F16 -101.78 7.25 -8.35 -0.92 0
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27168 818436 1 N2O4C11H16 A2B4C11D16 -97.57 5.75 -10.51 0.35 0
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27169 818437 1 O3C10H14 A3B10C14 -100.79 3.82 -10.29 0.67 0
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27170 818511 1 NO4C15H19 AB4C15D19 -177.99 5.9 -8.92 -0.24 0
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27171 818580 1 N2O2C17H20 A2B2C17D20 -17.44 5.46 -9.2 0.09 0
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27172 818581 2 NOC10H12 ABC10D12 -39.69 2.22 -9.2 -0.12 0
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27173 818608 1 BrO5H9C10 AB5C9D10 -157.52 2.73 -9.5 -1.4 0
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27174 818762 1 NO2H9C11 AB2C9D11 -25.46 3.14 -9.2 -0.97 0
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27175 818763 1 ClSO4H11C17 ABC4D11E17 -78.26 4.92 -8.97 -1.52 0
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27176 818878 2 BrOH2C3 ABC2D3 -33.24 3.08 -9.79 -1.03 0
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27177 818885 1 BrOSH5C6 ABCD5E6 -8.45 3.74 -9.42 -1.2 0
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27178 818950 1 N3O3C19H21 A3B3C19D21 -51.45 6.07 -8.61 -0.55 0
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27179 818978 1 NSO4H7C8 ABC4D7E8 -48.02 6.72 -10.19 -2.0 0
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27180 818979 1 NSH7C8 ABC7D8 54.84 2.15 -8.33 -0.35 0
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27181 818992 1 NSO4C8H9 ABC4D8E9 -77.16 3.45 -9.49 -1.21 0
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27182 818995 1 ON2C8H10 AB2C8D10 -27.52 4.84 -9.08 -0.35 0
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27183 819053 1 FSO2H3C5 ABC2D3E5 -96.48 4.01 -10.2 -1.27 0
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27184 819061 1 BrClNO2H3C6 ABCD2E3F6 -56.13 3.54 -10.39 -1.75 0
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27185 819097 1 N2O2C13H16 A2B2C13D16 -36.77 3.91 -8.67 0.04 0
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27186 819154 1 SO2N4C10H14 AB2C4D10E14 -65.62 5.02 -8.8 -0.61 0
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27187 819203 1 O2N3H9C10 A2B3C9D10 -52.81 6.08 -8.63 -0.85 0
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27188 819255 1 N2O4H12C17 A2B4C12D17 -37.66 4.17 -9.49 -1.5 0
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27189 819258 1 SCl2O2H4C9 AB2C2D4E9 -55.18 5.44 -9.22 -1.79 0
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27190 819262 1 O3N4H12C14 A3B4C12D14 40.53 7.44 -9.7 -1.41 0
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27191 819263 1 ClN2O2C16H17 AB2C2D16E17 -33.9 3.26 -8.82 -0.86 0
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27192 819265 1 N3O3C16H17 A3B3C16D17 -31.71 6.62 -8.88 -0.75 0
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27193 819267 1 O2N3H13C16 A2B3C13D16 41.76 4.64 -8.28 -1.17 0
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27194 819283 1 O3H14C18 A3B14C18 -55.16 5.05 -9.1 -0.82 1
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27195 819401 1 NSO2C7H8 ABC2D7E8 -51.49 3.27 0.0 0.0 0
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27196 819413 1 NSO2C7H7 ABC2D7E7 -51.53 4.65 -9.12 -1.23 0
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27197 819441 2 NO2H5C6 AB2C5D6 -29.49 3.63 -9.68 -1.65 0
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27198 819449 1 NSO3C13H17 ABC3D13E17 -99.74 7.85 -9.8 -0.39 0
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27199 819470 1 SN2O3C14H14 AB2C3D14E14 -36.38 1.11 -8.94 -0.75 0
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27200 819482 1 NO4H17C18 AB4C17D18 -114.88 4.18 -9.61 -0.4 0
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27201 819483 1 N3O4C13H13 A3B4C13D13 -73.02 4.17 -9.72 -0.86 0
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27202 819484 1 N2O3H10C11 A2B3C10D11 -46.37 2.81 -9.6 -1.79 0
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27203 819516 1 ClOS2C10H11 ABC2D10E11 8.83 4.22 -8.71 -0.54 0
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27204 819559 1 SO2C7H8 AB2C7D8 -76.67 5.31 -9.69 -0.68 0
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27205 819561 1 N3C8H9 A3B8C9 74.92 2.22 -8.52 -0.27 0
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27206 819562 1 OSN2C8H10 ABC2D8E10 -23.74 2.9 -8.86 -0.31 0
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27207 819564 1 N2O2H16C17 A2B2C16D17 -11.11 2.64 -9.44 -0.1 0
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27208 819570 1 NOC9H9 ABC9D9 -23.91 2.98 -8.96 -0.11 0
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27209 819600 1 NO2C23H23 AB2C23D23 -7.28 3.46 -9.04 0.24 0
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27210 819609 1 N3O4H9C11 A3B4C9D11 -12.63 5.45 -10.72 -1.28 0
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27211 819708 1 NO3C13H13 AB3C13D13 -68.55 3.84 -8.38 -0.53 0
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27212 819727 1 ClNOH14C15 ABCD14E15 -19.99 5.01 -8.92 -0.38 0
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27213 819734 1 ClN2O3C12H13 AB2C3D12E13 -39.71 6.21 -9.79 -1.83 0
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27214 819735 1 ClNOSC12H12 ABCDE12F12 -5.82 3.86 -9.18 -0.35 0
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27215 819741 1 FNOC12H16 ABCD12E16 -79.05 3.49 -9.4 -0.62 0
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27216 819742 1 NO2Cl4C12H13 AB2C4D12E13 -116.86 2.94 -9.3 -0.36 0
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27217 819743 1 ON2C21H22 AB2C21D22 33.08 5.07 -9.03 -0.15 0
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27218 819744 1 ON2C21H22 AB2C21D22 30.92 3.34 -8.94 0.03 0
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27219 819745 1 ON2C21H22 AB2C21D22 32.08 5.38 -9.06 -0.04 0
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27220 819747 1 ON2C21H22 AB2C21D22 29.84 2.88 -8.96 0.0 0
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27221 819752 1 NO3C16H17 AB3C16D17 -80.8 3.02 -8.82 -0.03 0
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27222 819755 1 NF3H12C14 AB3C12D14 -114.5 1.88 -9.6 -0.76 0