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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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63151 26744419 1 FO2N5C16H16 AB2C5D16E16 -7.15 4.24 -9.37 -0.83 0
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63152 26744421 1 FO2N3C16H18 AB2C3D16E18 -26.92 2.25 -9.37 -0.99 1
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63153 26744424 1 FO2N5C21H21 AB2C5D21E21 26.55 4.86 0.0 0.0 0
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63154 26744431 1 N4O5C20H24 A4B5C20D24 -112.16 4.53 -9.08 -1.09 0
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63155 26744433 1 N3O5C21H21 A3B5C21D21 -71.71 3.41 -8.78 -0.77 0
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63156 26746536 2 NO3C9H10 AB3C9D10 -179.89 2.56 -9.12 -0.89 0
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63157 26746537 1 N2F3O4C15H15 A2B3C4D15E15 -316.25 2.21 -9.44 -1.12 0
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63158 26746541 1 N2O6C23H24 A2B6C23D24 -137.07 1.12 -8.53 -0.83 0
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63159 26746547 1 NSF2O3C13H15 ABC2D3E13F15 -224.83 7.46 -9.17 -0.78 0
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63160 26746560 1 N2O7C22H22 A2B7C22D22 -164.0 6.14 -8.66 -0.7 0
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63161 26746561 1 NO4C14H19 AB4C14D19 -168.6 3.73 -8.35 0.02 0
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63162 26746562 1 SN3O6C25H27 AB3C6D25E27 -150.49 3.28 -9.07 -0.84 0
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63163 26746564 1 SN3O7C24H25 AB3C7D24E25 -172.17 5.37 -9.24 -1.02 0
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63164 26746565 1 NO4C13H17 AB4C13D17 -161.91 6.44 -8.39 0.0 0
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63165 26746566 1 NO4C13H17 AB4C13D17 -161.97 3.4 -8.4 -0.01 0
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63166 26746567 1 SN3O7C24H25 AB3C7D24E25 -178.82 3.64 -9.14 -1.01 0
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63167 26746568 1 ClNO3C13H16 ABC3D13E16 -140.6 4.31 -9.05 -0.31 0
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63168 26746569 1 ClNO3C13H16 ABC3D13E16 -140.57 4.18 -9.06 -0.31 0
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63169 26746570 1 ClSN2O5C14H19 ABC2D5E14F19 -202.56 6.56 -9.16 -0.82 0
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63170 26746571 1 N3O5H17C22 A3B5C17D22 -77.35 3.6 -9.18 -1.38 0
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63171 26746572 1 ClSN2O5C14H19 ABC2D5E14F19 -201.87 8.55 -9.18 -0.88 0
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63172 26746573 1 SN3O5H19C22 AB3C5D19E22 -94.35 3.19 -8.93 -0.88 0
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63173 26746574 1 ClFNO3C12H13 ABCD3E12F13 -174.35 4.84 -9.08 -0.56 0
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63174 26746575 1 ClFNO3C12H13 ABCD3E12F13 -176.93 3.83 -9.15 -0.68 0
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63175 26746576 1 SN3O5H19C22 AB3C5D19E22 -94.98 3.3 -8.9 -0.86 0
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63176 26746577 1 NO4C14H19 AB4C14D19 -169.47 3.25 -8.3 0.0 0
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63177 26746579 1 NO4C14H19 AB4C14D19 -169.95 4.9 -8.42 -0.01 0
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63178 26746580 1 ClN2O3C11H13 AB2C3D11E13 -117.16 4.33 -9.21 -0.7 0
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63179 26746616 1 N3O6C23H23 A3B6C23D23 -143.32 1.87 -9.11 -0.64 0
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63180 26746618 1 ClN2O3C13H13 AB2C3D13E13 -99.34 8.44 -9.56 -1.07 0
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63181 26746619 1 N3O6C25H25 A3B6C25D25 -127.18 4.21 -8.97 -0.76 0
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63182 26746620 1 ClN2O3C13H13 AB2C3D13E13 -101.02 9.09 -9.46 -1.0 0
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63183 26746621 1 N3O5H21C22 A3B5C21D22 -96.91 5.15 -9.09 -0.85 0
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63184 26746622 1 N3O6C25H25 A3B6C25D25 -140.33 5.8 -8.27 -0.97 0
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63185 26746624 1 N3O6C25H25 A3B6C25D25 -138.82 6.81 -8.23 -0.96 0
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63186 26746625 2 NO2C7H9 AB2C7D9 -170.1 3.95 -9.56 -0.2 0
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63187 26746626 1 N2O4C11H20 A2B4C11D20 -213.57 5.64 -10.29 0.02 0
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63188 26746628 1 N2O4C11H20 A2B4C11D20 -220.67 0.93 -10.03 0.07 0
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63189 26746630 1 N2O6C15H18 A2B6C15D18 -240.53 3.09 -8.36 -0.42 0
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63190 26746631 1 N2O5H20C24 A2B5C20D24 -65.97 2.28 -8.61 -0.96 0
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63191 26746634 2 NO2C6H10 AB2C6D10 -209.73 1.94 -10.02 0.04 0
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63192 26746638 1 O4N5C17H19 A4B5C17D19 -92.64 2.03 -8.71 -1.11 0
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63193 26746640 1 N3O5H19C21 A3B5C19D21 -99.82 2.76 -9.12 -0.9 0
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63194 26746641 1 N2O6C17H18 A2B6C17D18 -212.78 1.91 -8.89 -1.45 0
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63195 26746642 1 S2N3O6C22H23 A2B3C6D22E23 -125.42 5.92 -9.07 -0.88 0
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63196 26746648 1 ClSN2O4H19C21 ABC2D4E19F21 -60.62 3.42 -8.99 -0.84 0
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63197 26746649 1 ClNO5C15H16 ABC5D15E16 -190.27 4.04 -9.12 -1.35 0
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63198 26746650 1 N2O6H20C21 A2B6C20D21 -123.77 3.78 -8.63 -0.88 0
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63199 26746651 1 ClNO5C15H16 ABC5D15E16 -186.27 2.14 -9.19 -1.35 0
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63200 26750101 1 SN3O7C18H21 AB3C7D18E21 -161.89 7.55 -9.63 -1.66 0
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63201 26750103 1 SN2O4C21H34 AB2C4D21E34 -189.9 7.31 -9.44 -0.58 0
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63202 26750105 1 SN3O6C18H21 AB3C6D18E21 -133.11 4.44 -9.53 -1.83 0
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63203 26750108 1 ClFSN2O4C17H18 ABCD2E4F17G18 -175.62 8.09 -9.6 -1.29 0
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63204 26750110 1 SN2Cl3O5C18H19 AB2C3D5E18F19 -178.13 6.67 -9.55 -1.16 0
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63205 26750112 2 SN2O2C11H13 AB2C2D11E13 -96.66 3.96 -8.24 -0.78 0
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63206 26750116 1 SN4O4C18H20 AB4C4D18E20 -100.34 3.49 -8.56 -0.7 0
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63207 26750119 1 S2N4O5C17H22 A2B4C5D17E22 -159.94 3.83 -8.35 -0.66 0
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63208 26750122 1 ClN2F3O5C16H18 AB2C3D5E16F18 -379.12 5.33 -8.94 -0.67 0
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63209 26750128 1 Cl2N2O4C19H20 A2B2C4D19E20 -147.51 4.84 -8.76 -0.91 0
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63210 26750137 1 SCl2N2O4H16C19 AB2C2D4E16F19 -116.99 6.94 -8.98 -1.29 0
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63211 26750143 1 BrN2O5H15C18 AB2C5D15E18 -125.32 2.84 -8.98 -1.23 0
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63212 26750149 1 BrN2F3O5H12C18 AB2C3D5E12F18 -276.92 3.85 -9.39 -1.4 0
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63213 26750151 1 BrN2F3O5H10C12 AB2C3D5E10F12 -315.55 1.88 -9.48 -1.29 0
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63214 26750157 1 BrNSF2O4H14C17 ABCD2E4F14G17 -196.59 7.5 -9.24 -1.69 0
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63215 26750161 1 BrClNO4H15C17 ABCD4E15F17 -105.91 3.13 -9.49 -1.42 0
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63216 26750163 1 BrNO4C18H18 ABC4D18E18 -111.17 4.25 -8.53 -1.5 0
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63217 26750165 1 BrN2O7H15C17 AB2C7D15E17 -138.85 3.44 -9.01 -1.68 0
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63218 26750169 1 BrNO4C18H18 ABC4D18E18 -109.1 3.23 -8.71 -1.44 0
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63219 26750181 1 SN2O6C20H24 AB2C6D20E24 -201.79 7.04 -9.67 -0.91 0
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63220 26750182 1 SN2O6C20H24 AB2C6D20E24 -201.24 6.06 -9.57 -0.86 0
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63221 26750185 1 BrClFNO4H12C16 ABCDE4F12G16 -146.45 5.06 -9.04 -1.57 0
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63222 26750204 1 BrSN2O6C18H19 ABC2D6E18F19 -181.22 5.45 -9.31 -1.18 0
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63223 26750205 1 BrNO5C18H18 ABC5D18E18 -138.98 6.97 -8.51 -1.47 0
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63224 26750212 1 BrNO4C17H22 ABC4D17E22 -143.42 5.09 -9.62 -1.41 0
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63225 26750213 1 SN2O7C22H24 AB2C7D22E24 -235.45 9.09 -9.46 -1.24 0
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63226 26750214 1 BrClNO5H15C17 ABCD5E15F17 -139.49 6.55 -8.42 -1.54 0
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63227 26750218 1 BrNO5C18H18 ABC5D18E18 -135.65 6.64 -9.1 -1.37 0
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63228 26750220 1 NBr2O4H15C17 AB2C4D15E17 -104.51 2.01 -8.77 -1.42 0
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63229 26750224 1 BrClNO4H15C17 ABCD4E15F17 -111.2 7.62 -8.98 -1.6 0
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63230 26750227 1 BrNO4C18H18 ABC4D18E18 -108.56 5.39 -8.99 -1.48 0
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63231 26750228 1 SN2O6C19H24 AB2C6D19E24 -198.05 10.32 -8.94 -0.72 0
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63232 26750231 1 BrSN2O4H19C20 ABC2D4E19F20 -83.27 4.76 -8.68 -1.61 0
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63233 26750232 1 ClSN2O5C18H21 ABC2D5E18F21 -166.25 7.71 -9.59 -0.8 0
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63234 26750249 1 SN2O4C24H32 AB2C4D24E32 -143.13 3.59 -8.76 -0.55 0
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63235 26750260 1 BrNSO6C15H18 ABCD6E15F18 -202.61 7.55 -9.48 -1.28 0
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63236 26750264 1 BrN2O5H17C18 AB2C5D17E18 -139.99 2.84 -9.59 -1.46 0
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63237 26750265 1 SN3O6C22H27 AB3C6D22E27 -131.26 9.46 -9.47 -1.43 0
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63238 26750266 1 BrN2O5H17C18 AB2C5D17E18 -138.09 3.13 -9.52 -1.33 0
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63239 26750268 1 BrN2O5C15H19 AB2C5D15E19 -183.37 7.23 -9.46 -1.18 0
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63240 26750269 1 ClSN2O5C23H29 ABC2D5E23F29 -171.84 6.27 -8.83 -0.57 0
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63241 26750279 1 BrN2O5C16H19 AB2C5D16E19 -181.03 2.78 -9.62 -1.5 0
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63242 26750288 1 S2N4O5C22H30 A2B4C5D22E30 -148.38 8.6 -8.88 -0.46 0
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63243 26750328 1 SN3O5C25H33 AB3C5D25E33 -199.59 3.78 -9.11 -0.56 0
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63244 26750329 1 N2O8C21H22 A2B8C21D22 -194.2 5.05 -8.54 -1.45 0
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63245 26750331 1 N2S2O5C24H32 A2B2C5D24E32 -183.64 9.46 -9.34 -0.6 0
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63246 26750333 1 BrNO5C20H20 ABC5D20E20 -146.96 7.51 -8.73 -1.23 0
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63247 26750334 1 N2S2O5C23H30 A2B2C5D23E30 -173.45 7.86 -9.49 -0.55 0
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63248 26750337 1 NO5C22H25 AB5C22D25 -165.72 4.65 -8.34 -1.02 0
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63249 26750338 1 SN4O4C23H26 AB4C4D23E26 -99.88 5.53 -9.3 -1.03 0
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63250 26750339 1 NO6C22H25 AB6C22D25 -190.46 2.44 -8.32 -0.72 0