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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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391139 135003062 1 ClOSC11H13 ABCD11E13 -14.34 4.45 -8.61 -0.28 0
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391140 135003066 1 N5H13C18 A5B13C18 152.2 4.31 -8.7 -1.41 0
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391141 135003068 1 NO7C41H49 AB7C41D49 -212.52 7.98 -8.55 -0.08 0
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391142 135003069 1 N2O5C29H32 A2B5C29D32 -78.25 5.92 -9.12 -1.18 0
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391143 135003070 1 N2O2C31H36 A2B2C31D36 16.11 1.76 -8.93 0.14 0
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391144 135003073 1 N2O5H16C18 A2B5C16D18 -48.13 3.61 -8.9 -1.22 0
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391145 135003083 1 FNPSO9C26H33 ABCDE9F26G33 -477.8 3.18 -8.97 -0.93 0
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391146 135003143 1 SO3N6C41H44 AB3C6D41E44 39.39 5.29 -8.13 -0.63 0
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391147 135003146 1 O2F5H13C19 A2B5C13D19 -239.41 4.3 -10.06 -1.19 0
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391148 135003148 1 NO4H15C17 AB4C15D17 -89.83 2.52 -8.74 -1.32 0
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391149 135003159 1 NSiO8C31H37 ABC8D31E37 -318.7 3.99 -8.71 -1.12 -1
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391150 135003166 1 BNO2F3C14H20 ABC2D3E14F20 -310.56 13.68 0.0 0.0 0
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391151 135003169 1 N2O3C23H24 A2B3C23D24 -71.32 6.0 -9.69 -0.93 0
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391152 135003178 1 NO4C17H19 AB4C17D19 -117.15 2.88 -9.71 -0.72 0
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391153 135003185 2 OC7H9 AB7C9 -76.87 4.85 -8.76 0.11 0
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391154 135003188 1 FO2H15C17 AB2C15D17 -81.18 3.56 -8.86 -0.67 0
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391155 135003189 1 O2N4H14C17 A2B4C14D17 48.88 5.11 -9.35 -0.83 0
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391157 135003211 1 OC16H18 AB16C18 37.23 3.27 -9.79 -0.55 0
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391158 135003233 1 SO4C10H16 AB4C10D16 -183.08 2.68 -8.93 -0.36 0
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391159 135003253 1 SiWN2O3C22H26 ABC2D3E22F26 76.53 4.65 -7.07 -0.17 0
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391160 135003256 1 CrO2C17H18 AB2C17D18 -3.02 0.92 -8.14 -0.44 0
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391161 135003257 1 O3H24C26 A3B24C26 54.45 3.43 -8.35 -0.7 0
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391162 135003261 1 OWN2Cl3H11C12 ABC2D3E11F12 179.43 8.87 -7.2 -1.05 0
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391163 135003262 1 WN2Cl3O6H13C16 AB2C3D6E13F16 26.64 6.43 -6.34 -0.9 0
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391164 135003265 1 NO2C22H23 AB2C22D23 8.09 2.58 -8.86 -0.43 0
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391165 135003268 1 O2C12H13 A2B12C13 -24.44 1.76 0.0 0.0 0
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391166 135003294 1 O2N3C10H13 A2B3C10D13 -73.02 3.79 -10.66 -0.26 0
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391167 135003310 1 ClPN4O4C8H14 ABC4D4E8F14 -123.67 6.62 -9.18 -0.88 0
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391168 135003326 1 NO5C21H25 AB5C21D25 -188.37 6.46 -8.45 -0.47 0
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391169 135003330 1 Cl2P2N4O7C18H32 A2B2C4D7E18F32 -337.93 5.08 -8.95 -0.9 0
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391170 135003337 1 O2F3N3H16C20 A2B3C3D16E20 -150.91 3.03 -8.56 -0.72 0
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391171 135003339 1 BrN2O6C29H33 AB2C6D29E33 -223.89 4.83 -8.81 -0.74 0
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391172 135003342 1 SiO5C18H32 AB5C18D32 -303.67 1.69 -8.82 0.57 0
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391173 135003350 1 NO7C21H25 AB7C21D25 -244.96 3.09 -9.16 -1.17 0
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391174 135003368 1 NO7C20H29 AB7C20D29 -280.25 3.89 -9.65 -1.64 0
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391175 135003369 1 N3O7C26H39 A3B7C26D39 -233.83 5.06 -8.68 -1.38 0
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391176 135003371 1 NO7C23H25 AB7C23D25 -184.44 4.92 -9.56 -0.67 0
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391177 135003374 1 N2F3O5C24H29 A2B3C5D24E29 -346.43 4.79 -9.11 -0.01 0
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391178 135003377 1 N2O5C25H36 A2B5C25D36 -178.67 6.38 -9.0 -0.09 0
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391179 135003383 1 NO2H29C38 AB2C29D38 76.43 7.96 -8.92 -0.36 0
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391180 135003393 1 CrNO2C15H23 ABC2D15E23 103.56 2.61 -6.55 0.42 0
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391181 135003394 1 N2O2C27H28 A2B2C27D28 -7.31 5.29 -8.53 0.09 1
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391182 135003399 1 NO3H20C23 AB3C20D23 -11.46 4.4 0.0 0.0 0
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391183 135003401 1 O2N3H23C26 A2B3C23D26 42.79 2.6 -8.78 -0.97 0
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391184 135003404 1 OSiC18H22 ABC18D22 -24.28 2.18 -9.29 0.16 0
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391185 135003414 1 N2O3C20H22 A2B3C20D22 -4.53 1.67 -8.87 0.0 0
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391186 135003420 1 O3H16C18 A3B16C18 -59.08 1.73 -8.47 -0.67 0
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391187 135003432 1 NOC18H23 ABC18D23 -25.59 5.2 -8.27 -0.06 0
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391188 135003438 1 FO2C13H21 AB2C13D21 -166.78 0.51 -10.27 -0.17 0
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391189 135003464 1 NS2O3C7H9 AB2C3D7E9 -46.88 4.18 -9.09 -1.41 0
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391190 135003465 2 SO2H12C15 AB2C12D15 14.88 1.02 -8.94 -1.18 0
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391191 135003468 1 NO3H13C17 AB3C13D17 -25.47 10.32 -9.46 -0.83 0
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391192 135003484 1 CrN2O2Cl3H11C14 AB2C2D3E11F14 33.59 6.12 -8.22 -1.22 0
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391193 135003500 2 FSCl2H4C8 ABC2D4E8 -26.14 0.65 -9.03 -1.15 0
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391194 135003501 1 NO3H17C20 AB3C17D20 -48.7 4.6 -9.33 -1.27 0
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391195 135003504 1 ClNO4H22C24 ABC4D22E24 -101.05 3.43 -8.36 -0.44 0
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391196 135003510 1 N2O5C23H30 A2B5C23D30 -131.01 7.04 -9.8 -1.11 0
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391197 135003511 1 N2O4C13H20 A2B4C13D20 -205.02 2.43 -10.54 -0.14 0
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391198 135003514 1 NO3C17H23 AB3C17D23 -131.43 4.42 -8.92 -0.04 0
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391199 135003515 1 PN2O4C19H23 AB2C4D19E23 -181.07 2.95 -8.8 -0.19 0
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391200 135003516 2 NPO3C18H23 ABC3D18E23 -305.63 2.34 -9.07 0.26 0
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391202 135003518 1 NPO5C21H28 ABC5D21E28 -245.97 4.93 -9.26 -0.04 0
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391203 135003523 1 N3O4C20H25 A3B4C20D25 -150.08 6.77 -8.25 -0.2 0
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391204 135003527 2 NO2C8H11 AB2C8D11 -96.0 2.62 -9.8 -1.35 0
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391205 135003530 1 NO2C26H27 AB2C26D27 -2.64 2.59 -9.16 -0.18 0
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391206 135003533 1 ON2C16H16 AB2C16D16 31.76 3.13 -8.67 -0.64 0
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391207 135003535 1 PCl2O3C10H19 AB2C3D10E19 -200.45 2.57 -9.89 -0.26 0
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391208 135003536 1 N2O2H18C19 A2B2C18D19 -18.11 5.01 -9.14 -0.72 0
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391209 135003537 1 SN3O3C18H29 AB3C3D18E29 -155.53 4.01 -9.03 -0.26 0
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391210 135003538 1 N2O5C13H24 A2B5C13D24 -257.52 1.88 -9.29 -0.14 0
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391211 135003541 1 SiN2O12C49H74 AB2C12D49E74 -616.48 6.66 -8.71 -0.06 0
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391212 135003558 1 NO4C14H21 AB4C14D21 -164.09 3.11 -8.45 -0.44 0
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391213 135003573 1 N3O6C17H19 A3B6C17D19 -152.14 10.75 -9.69 -1.18 0
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391214 135003581 1 ClON2C15H15 ABC2D15E15 22.36 3.45 -9.05 -0.57 0
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391215 135003585 2 NOC8H9 ABC8D9 -10.42 3.98 -8.73 -0.3 0
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391216 135003590 1 N2C19H28 A2B19C28 8.84 2.48 -7.78 0.48 0
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391217 135003593 1 NC19H23 AB19C23 28.59 1.03 -8.66 0.34 0
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391218 135003594 1 FNO6C24H24 ABC6D24E24 -220.3 4.31 -8.75 -0.1 0
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391219 135003613 1 FNSH12C18 ABCD12E18 36.93 1.16 -7.69 -0.52 0
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391220 135003615 1 ON2F4H18C25 AB2C4D18E25 -101.88 7.33 -9.54 -1.66 0
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391221 135003616 2 NOF2H8C12 ABC2D8E12 -121.66 6.76 -9.7 -1.75 0
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391222 135003629 1 NO2C13H15 AB2C13D15 -53.39 1.95 -8.89 0.02 0
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391223 135003631 1 NO3C20H25 AB3C20D25 -105.23 4.77 -8.39 -0.08 0
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391224 135003632 1 NO4C17H23 AB4C17D23 -137.65 4.46 -9.4 -0.74 0
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391225 135003636 2 NO2C7H7 AB2C7D7 -36.14 2.23 -8.78 -0.61 -1
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391226 135003659 1 BNO2F3C16H24 ABC2D3E16F24 -321.26 14.29 0.0 0.0 0
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391227 135003662 1 O2H17C24 A2B17C24 69.94 2.75 0.0 0.0 2
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391228 135003664 2 OH17C23 AB17C23 228.12 4.61 -7.66 -0.82 0
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391229 135003665 1 N4O4C17H26 A4B4C17D26 -135.19 9.69 -9.95 -1.01 0
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391230 135003687 2 NOH11C14 ABC11D14 82.6 6.28 -9.65 -1.17 0
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391231 135003689 1 ClN3O5H12C14 AB3C5D12E14 -89.26 1.22 -9.63 -1.12 0
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391232 135003696 1 OC15H20 AB15C20 -28.64 3.2 -9.65 -0.42 0
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391233 135003702 1 ClO2C14H17 AB2C14D17 -49.86 1.37 -8.74 0.3 0
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391234 135003703 1 NSO2C15H29 ABC2D15E29 -78.35 7.38 -7.87 0.76 0
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391235 135003726 1 ISSeH13C15 ABCD13E15 84.28 1.12 -8.36 -1.42 0
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391236 135003758 1 N2O3C27H28 A2B3C27D28 -47.77 2.97 -8.38 -0.78 0
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391237 135003759 1 N2O3H18C19 A2B3C18D19 -43.18 4.23 -9.49 -0.3 0
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391238 135003798 1 SCl2N2O6H24C29 AB2C2D6E24F29 -128.53 7.92 -8.55 -1.29 0
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391239 135003801 1 NO4H25C55 AB4C25D55 599.82 8.08 -8.02 -2.43 0
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391240 135003803 1 BrNSO2H24C26 ABCD2E24F26 -24.75 1.74 -8.76 -1.1 0