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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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233186 87692920 1 OH28C48 AB28C48 162.19 1.08 -8.51 -0.88 0
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233187 87692930 1 OH36C64 AB36C64 340.46 1.6 -8.4 -0.99 0
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233188 87692931 1 OH40C72 AB40C72 504.68 3.2 -8.41 -1.03 0
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233189 87793065 1 ClNaC4O4H6 ABC4D4E6 -234.89 5.55 -7.76 -0.11 0
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233190 87793066 1 NS2O3C5H11 AB2C3D5E11 -19.67 6.26 -8.87 -1.14 0
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233191 87793107 1 PSO2C6H11 ABC2D6E11 -119.98 1.19 -9.72 -0.4 0
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233192 87793131 2 N4H6C9 A4B6C9 203.19 5.36 -9.0 -1.64 0
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233193 87793159 1 ClSN2O2C9H17 ABC2D2E9F17 -89.0 4.1 -7.72 -0.71 -1
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233194 87793161 1 HfCl2H13C15 AB2C13D15 -35.44 3.37 0.0 0.0 0
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233195 87793162 1 OZrC35H42 ABC35D42 -0.39 5.64 -6.59 -0.96 0
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233196 87793181 1 O4N5C27H29 A4B5C27D29 -21.38 2.92 -8.93 -1.41 1
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233197 87793190 1 NS2O4F6H6C8 AB2C4D6E6F8 -404.98 4.04 0.0 0.0 0
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233198 87793215 1 OF3H9C14 AB3C9D14 -116.65 4.88 -9.87 -0.62 0
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233199 87895528 1 ClFSN4C26H32 ABCD4E26F32 -19.08 8.63 -8.2 -0.82 1
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233200 87895531 1 N2C36H71 A2B36C71 -121.82 2.51 0.0 0.0 1
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233201 87895532 1 N2C44H87 A2B44C87 -160.43 2.36 0.0 0.0 0
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233202 88443026 1 N4O9C20H20 A4B9C20D20 -130.71 7.04 -9.44 -1.49 0
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233203 88443031 1 NSiO5C12H27 ABC5D12E27 -342.93 4.2 -8.68 0.47 0
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233204 89449271 1 BrNO2C6H6 ABC2D6E6 -19.32 3.15 -10.47 -1.18 0
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233205 89449276 1 ClN2O3H27C30 AB2C3D27E30 -13.72 5.76 -8.67 -0.88 0
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233206 89449279 1 O5H22C23 A5B22C23 -135.74 6.84 -9.04 -0.21 0
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233207 89449284 1 IO2S2H7C9 AB2C2D7E9 -25.68 1.74 -8.87 -1.54 0
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233208 89449287 1 F2N2C7H8 A2B2C7D8 -81.27 4.68 -8.92 -0.3 0
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233209 89449288 1 N2S2O5H22C26 A2B2C5D22E26 -19.19 7.19 -8.89 -1.59 0
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233210 89449291 1 NO3C19H27 AB3C19D27 -153.92 2.09 -9.37 0.05 0
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233211 89449294 1 N2O5C25H30 A2B5C25D30 -182.59 2.42 -9.26 -0.04 0
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233212 89449298 2 NO2H11C12 AB2C11D12 -80.15 1.02 -8.21 -0.43 0
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233213 89449299 1 BSO4C13H19 ABC4D13E19 -230.7 4.03 -8.83 -0.15 0
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233214 89449338 2 NO2H11C12 AB2C11D12 -12.98 5.53 -9.07 -1.1 0
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233215 89449344 1 NOSC6H7 ABCD6E7 -22.14 4.04 -9.12 -1.31 0
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233216 89449346 1 SSiO2N3C28H29 ABC2D3E28F29 -14.66 3.13 -8.65 -1.23 0
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233217 89449348 1 N2O4H28C31 A2B4C28D31 -71.53 2.87 -9.49 -0.74 0
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233218 89449351 1 SN2O3C5H6 AB2C3D5E6 -101.6 3.37 -9.59 -0.88 0
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233219 89449352 1 OSN2C8H10 ABC2D8E10 -21.47 2.93 -9.11 -0.46 0
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233220 89449354 1 O2S2N5C30H31 A2B2C5D30E31 57.43 5.86 -8.42 -1.35 0
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233221 89449356 1 SN2Cl3H13C16 AB2C3D13E16 32.49 5.96 -8.48 -0.62 0
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233222 89449358 1 SN2Cl3F3O3H16C20 AB2C3D3E3F16G20 -243.29 4.05 -9.51 -1.39 0
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233223 89449361 1 SO2N4C33H34 AB2C4D33E34 40.76 4.92 -8.37 -0.77 0
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233224 89449364 1 SO2N4C33H34 AB2C4D33E34 41.23 4.97 -8.34 -0.83 0
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233225 89449367 1 SCl2N2F3O4H21C22 AB2C2D3E4F21G22 -255.99 3.56 -9.97 -0.9 0
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233226 89449369 1 ClSN2O3C14H15 ABC2D3E14F15 -82.0 5.22 -9.34 -1.51 0
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233227 89449370 1 SO2F3N3C24H30 AB2C3D3E24F30 -224.83 8.55 -9.09 -1.16 0
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233228 89449374 1 SO2F3N3C24H30 AB2C3D3E24F30 -227.97 7.37 -8.98 -1.01 0
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233229 89449378 1 SF3N3O3C23H28 AB3C3D3E23F28 -254.05 9.87 -9.13 -1.23 0
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233230 89449379 1 ClSF3O3N5H11C18 ABC3D3E5F11G18 -177.66 2.09 -8.94 -1.6 0
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233231 89449380 2 NC5H8 AB5C8 34.8 2.49 -10.02 -0.94 0
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233232 89449387 1 IN2O7C22H37 AB2C7D22E37 -243.09 3.16 -8.65 -1.16 0
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233233 89449390 1 SF3N3O3C23H28 AB3C3D3E23F28 -255.38 8.45 -9.04 -1.14 0
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233234 89449391 1 SO2N4F6C24H28 AB2C4D6E24F28 -348.11 7.79 -9.19 -1.21 0
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233235 89449394 1 SO2N3F5C24H28 AB2C3D5E24F28 -330.86 8.96 -9.06 -1.18 0