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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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401103 135050126 1 OS3C19H20 AB3C19D20 17.47 3.27 -8.35 -0.4 0
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401104 135050134 1 N2O2Cl3H3C6 A2B2C3D3E6 9.65 2.4 -11.38 -2.19 0
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401105 135050141 1 IN2O4C28H31 AB2C4D28E31 -39.5 11.5 -7.44 -0.72 0
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401106 135050153 1 NSiO4C22H35 ABC4D22E35 -229.47 2.92 -8.69 0.51 0
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401107 135050191 1 NSO3C21H25 ABC3D21E25 -74.09 3.17 -9.11 -0.64 0
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401108 135050193 1 BrNO3C15H18 ABC3D15E18 -110.94 2.3 -9.77 -0.94 0
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401109 135050195 1 NSiO4C19H39 ABC4D19E39 -298.01 2.53 -8.8 0.57 0
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401110 135050197 1 O3C17H22 A3B17C22 -126.44 4.72 -9.95 -0.74 0
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401111 135050198 2 OC12H16 AB12C16 -99.21 1.82 -9.29 0.06 0
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401112 135050199 1 LiNPO4C23H41 ABCD4E23F41 -285.18 6.95 -8.23 0.56 0
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401113 135050200 1 NPO4C23H42 ABC4D23E42 -261.05 2.28 -8.67 0.55 0
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401114 135050201 1 BrNaO3C14H14 ABC3D14E14 -142.96 7.78 -8.36 0.07 0
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401115 135050202 1 NOSC14H19 ABCD14E19 -31.77 4.93 -8.37 -0.12 0
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401116 135050203 1 NSO2C17H23 ABC2D17E23 -69.66 3.43 -8.29 -0.15 0
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401117 135050205 1 O3C16H18 A3B16C18 -93.34 2.29 -8.94 -0.8 0
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401118 135050215 1 NO2C30H31 AB2C30D31 -5.51 1.97 -8.28 -0.38 0
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401119 135050227 1 SN4H18C20 AB4C18D20 132.74 3.03 -8.76 -1.08 0
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401120 135050228 1 FNSC17H24 ABCD17E24 -9.04 3.22 -8.59 -0.35 0
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401121 135050235 1 SiO2C17H34 AB2C17D34 -193.0 2.15 -8.96 0.69 0
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401122 135050238 1 O2C11H12 A2B11C12 -67.78 5.82 -9.77 -0.05 -1
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401123 135050250 1 TiN2O3C14H35 AB2C3D14E35 -190.33 5.58 0.0 0.0 0
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401124 135050251 1 SO5C18H26 AB5C18D26 -208.92 8.15 -10.1 -0.71 0
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401125 135050252 1 SO4C20H32 AB4C20D32 -189.56 4.61 -9.77 -0.31 0
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401126 135050253 1 ClNO5C29H32 ABC5D29E32 -156.7 3.75 -9.37 0.01 0
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401127 135050254 1 LiOC13H21 ABC13D21 -8.18 16.59 -5.42 -0.65 0
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401128 135050255 1 OC13H22 AB13C22 -30.21 1.68 -7.81 0.39 0
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401129 135050256 1 LiO3C8H9 AB3C8D9 -121.62 6.95 -7.44 1.14 0
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401130 135050257 1 O3C8H10 A3B8C10 -100.25 2.11 -8.37 0.32 0
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401131 135050258 1 NSiC18H35 ABC18D35 -72.79 2.22 -8.36 0.81 0
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401132 135050261 1 O2C9H16 A2B9C16 -108.07 2.19 -10.07 0.64 0
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401133 135050264 1 INO2C20H38 ABC2D20E38 -118.58 5.19 -9.77 -0.78 0
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401134 135050271 1 NC13H25 AB13C25 -35.67 1.29 -8.01 1.76 0
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401135 135050273 1 SiO3C13H20 AB3C13D20 -109.42 3.68 -9.34 0.09 0
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401136 135050279 1 LiNOC7H12 ABCD7E12 -71.75 6.86 -7.48 2.47 0
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401137 135050281 1 NO2C30H31 AB2C30D31 -0.32 2.6 -8.28 -0.4 0
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401138 135050282 1 NO3C16H31 AB3C16D31 -179.4 2.77 -9.47 0.53 0
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401139 135050285 1 SSiO6C21H34 ABC6D21E34 -295.51 6.8 -8.73 -0.29 0
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401140 135050287 1 N2O2C17H24 A2B2C17D24 -82.82 3.9 -9.47 -0.3 0
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401141 135050289 1 NOSC13H17 ABCD13E17 -16.3 4.69 -8.66 -0.29 0
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401142 135050291 1 ClN4O6C15H23 AB4C6D15E23 -306.81 4.67 -10.13 0.02 0
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401143 135050300 1 H2N2Cl4O4C7 A2B2C4D4E7 -2.41 2.52 -11.21 -2.59 0
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401144 135050322 1 ClLiO2C5H8 ABC2D5E8 -153.59 6.05 -10.3 1.18 0
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401145 135050337 1 HLiSN2O2C3 ABCD2E2F3 -31.17 10.33 -9.26 -0.28 0
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401146 135050338 1 SnN3O3C28H47 AB3C3D28E47 -97.46 2.89 -8.34 0.2 0
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401147 135050341 1 O3C7H12 A3B7C12 -133.79 4.19 -9.67 0.18 0
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401148 135050342 1 NSO3C21H25 ABC3D21E25 -78.34 3.63 -8.94 -0.63 0
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401149 135050343 1 NSO3H23C24 ABC3D23E24 -34.57 6.56 -9.09 -0.82 1
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401150 135050345 1 N2O2C20H23 A2B2C20D23 12.44 6.9 0.0 0.0 0
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401151 135050346 1 IN2O2C20H23 AB2C2D20E23 1.95 13.26 -7.7 -0.94 0
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401152 135050349 1 LiOSC8H9 ABCD8E9 -32.59 3.19 -7.31 0.84 0
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401153 135050350 1 NO2C31H33 AB2C31D33 -6.55 4.69 -8.12 -0.38 0
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401154 135050352 1 NO2C31H33 AB2C31D33 -5.86 2.77 -8.21 -0.35 0
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401156 135050356 1 NOC13H17 ABC13D17 -18.56 2.75 -8.88 0.35 0
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401157 135050359 1 ON2C18H32 AB2C18D32 -55.75 1.33 -8.65 0.52 0
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401158 135050372 1 NO9C26H31 AB9C26D31 -334.53 3.43 -9.11 -0.53 0
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401159 135050376 1 NO3C23H39 AB3C23D39 -130.91 3.34 -9.35 0.33 0
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401160 135050380 1 LiOSnC19H39 ABCD19E39 -20.93 29.79 -5.19 -1.3 0
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401161 135050396 2 O2C8H15 A2B8C15 -227.6 2.97 -9.83 1.7 0
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401162 135050397 1 O5C17H30 A5B17C30 -273.34 3.17 -9.8 0.24 0
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401163 135050399 1 NO3C7H13 AB3C7D13 -136.56 3.33 -9.74 0.13 0
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401164 135050400 1 LiOC17H23 ABC17D23 19.85 30.27 -5.33 -0.97 0
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401165 135050401 1 OC17H24 AB17C24 -47.26 1.98 -8.66 0.21 0
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401168 135050407 1 MgSnC25H42 ABC25D42 153.97 6.72 -4.73 -3.07 0
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401169 135050409 1 Co2O7C18H18 A2B7C18D18 -251.12 17.25 -10.6 -6.71 0
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401170 135050410 1 NAl2C28H47 AB2C28D47 -47.49 1.66 -8.12 0.25 0
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401171 135050412 1 SO5C24H26 AB5C24D26 -150.88 2.74 -9.5 -0.25 0
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401172 135050423 1 NSO3C15H21 ABC3D15E21 -106.43 5.08 -10.1 -1.08 0
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401173 135050427 1 BrNOC22H28 ABCD22E28 -28.48 5.45 -9.41 -0.04 0
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401174 135050429 1 Si2O6C43H66 A2B6C43D66 -364.18 1.75 -9.1 -0.24 0
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401175 135050431 1 O3C10H18 A3B10C18 -139.68 2.66 -9.91 0.32 0
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401176 135050434 1 NSiO3C20H33 ABC3D20E33 -164.21 1.95 -8.5 0.28 0
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401177 135050437 1 AlNC11H24 ABC11D24 -43.7 3.57 -9.33 1.46 0
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401178 135050441 1 OC12H24 AB12C24 -70.76 2.76 -9.95 2.36 0
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401179 135050448 1 LiNOC16H22 ABCD16E22 15.55 5.38 -7.24 0.04 0
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401180 135050450 1 LiNC6H12 ABC6D12 6.6 4.76 -6.01 3.73 -1