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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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38203 8027964 1 N2O5C22H31 A2B5C22D31 -177.83 4.29 0.0 0.0 1
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38204 8027966 1 N2O4C24H35 A2B4C24D35 -149.68 26.11 0.0 0.0 1
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38205 8027967 1 N2O5C21H27 A2B5C21D27 -163.8 8.14 0.0 0.0 1
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38206 8027968 1 N2O5C22H31 A2B5C22D31 -172.03 3.0 0.0 0.0 0
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38207 8027979 1 O2N3C23H29 A2B3C23D29 -78.74 4.19 -8.24 0.15 1
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38208 8028002 1 SO2N3C23H30 AB2C3D23E30 -42.21 5.09 0.0 0.0 0
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38209 8028013 1 ClNO5C17H20 ABC5D17E20 -203.04 3.01 -8.91 -0.9 1
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38210 8028015 1 N2O4C25H29 A2B4C25D29 -101.56 23.26 0.0 0.0 0
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38211 8028054 1 NO5C21H21 AB5C21D21 -163.17 5.93 -9.17 -0.93 0
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38212 8028057 1 N2S2O5C17H20 A2B2C5D17E20 -159.2 5.67 -9.22 -0.68 1
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38213 8028062 1 ClN2O5C19H24 AB2C5D19E24 -172.82 18.87 0.0 0.0 0
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38214 8028079 1 NO5C22H23 AB5C22D23 -166.13 3.42 -9.46 -1.14 0
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38215 8028084 1 FO2N5H14C18 AB2C5D14E18 7.46 10.06 -9.3 -1.72 0
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38216 8028107 1 FN2S2O3C19H23 AB2C2D3E19F23 -156.11 4.95 -9.22 -0.93 0
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38217 8028108 1 SN3O3C22H29 AB3C3D22E29 -125.54 2.61 -9.12 -0.89 1
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38218 8028121 1 N3O4C19H20 A3B4C19D20 -85.57 5.04 0.0 0.0 0
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38219 8028140 1 SN3O4C11H15 AB3C4D11E15 -125.6 2.55 -9.3 -0.29 0
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38220 8028152 1 FNPO3C16H19 ABCD3E16F19 -186.07 2.99 -9.3 -0.13 0
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38221 8028154 1 SN2O2C12H16 AB2C2D12E16 -48.19 5.92 -8.41 -0.16 -1
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38222 8028161 1 SN3O4C11H12 AB3C4D11E12 -69.14 7.74 0.0 0.0 0
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38223 8028180 1 NSO4C22H23 ABC4D22E23 -86.49 3.3 -8.84 -0.76 0
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38224 8028187 1 NSO6H17C18 ABC6D17E18 -189.19 4.61 -9.3 -1.02 0
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38225 8028190 1 N2S2O3C12H12 A2B2C3D12E12 -69.81 4.96 -9.41 -1.39 0
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38226 8028199 1 NO5H19C20 AB5C19D20 -152.79 6.0 -9.46 -1.2 1
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38227 8028205 1 N2O4C25H35 A2B4C25D35 -154.85 17.01 0.0 0.0 -1
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38228 8028207 1 ClSN2O4C11H14 ABC2D4E11F14 -120.65 8.95 0.0 0.0 0
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38229 8028324 1 O3N4C15H18 A3B4C15D18 -21.64 8.28 -8.53 -1.36 0
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38230 8028336 1 FO2N4H15C18 AB2C4D15E18 -54.98 11.89 -8.54 -1.12 0
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38231 8028338 1 N2O4C23H26 A2B4C23D26 -132.15 3.21 -9.55 -0.93 0
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38232 8028340 1 SO3N4C16H22 AB3C4D16E22 -57.19 7.06 -8.98 -1.04 1
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38233 8028353 1 N2O5C20H27 A2B5C20D27 -180.84 9.42 0.0 0.0 0
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38234 8028362 1 ClNO5H20C21 ABC5D20E21 -171.16 6.14 -9.29 -1.2 0
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38235 8028365 1 ClNO5H20C21 ABC5D20E21 -171.29 6.23 -9.22 -1.13 0
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38236 8028370 1 N3O3C22H25 A3B3C22D25 -86.33 5.89 -8.5 0.09 -1
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38237 8028372 1 NSO6H18C20 ABC6D18E20 -135.64 1.85 0.0 0.0 0
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38238 8028375 1 ClSO3N4H13C14 ABC3D4E13F14 -16.9 4.79 -9.25 -1.43 0
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38239 8028378 1 SN3O3C9H11 AB3C3D9E11 -58.97 7.51 -8.96 -0.64 1
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38240 8028381 1 N2O4C24H35 A2B4C24D35 -145.62 33.66 0.0 0.0 1
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38241 8028386 1 N2O4C21H31 A2B4C21D31 -143.78 6.1 0.0 0.0 0
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38242 8028389 1 O3N4C14H14 A3B4C14D14 -10.4 8.87 -10.09 -0.92 0
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38243 8028414 1 N2O4C25H34 A2B4C25D34 -186.27 3.0 -9.02 -0.82 0
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38244 8028432 1 O3N4H16C17 A3B4C16D17 -78.1 6.55 -9.05 -1.23 0
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38245 8028451 1 Cl2S2N3O3H11C14 A2B2C3D3E11F14 -61.75 4.19 -9.68 -1.31 0
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38246 8028452 1 Cl2S2N3O3H11C14 A2B2C3D3E11F14 -62.17 4.11 -9.71 -1.3 0
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38247 8028465 1 ClS2N3O3H14C15 AB2C3D3E14F15 -65.56 7.6 -9.55 -1.06 0
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38248 8028473 1 Cl2S2N3O3H11C14 A2B2C3D3E11F14 -65.13 4.74 -9.69 -1.33 -1
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38249 8028474 1 NSO6H14C18 ABC6D14E18 -104.51 8.55 0.0 0.0 0
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38250 8028482 1 ClNO5H18C20 ABC5D18E20 -175.52 2.56 -9.41 -1.47 0
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38251 8028483 1 ClNO5H18C20 ABC5D18E20 -177.03 1.46 -9.29 -1.27 0
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38252 8028488 1 NO5C24H27 AB5C24D27 -179.73 5.17 -9.59 -0.89 0
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38253 8028492 1 N3O4C21H25 A3B4C21D25 -128.59 7.65 -9.28 -0.82 0
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38254 8028496 1 FO3N4C22H23 AB3C4D22E23 -126.85 3.58 -8.84 -0.97 0
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38255 8028499 1 O4N5H17C20 A4B5C17D20 -21.37 11.9 -8.74 -1.66 0
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38256 8028500 1 NO5C17H21 AB5C17D21 -198.16 7.02 -9.35 -0.98 0
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38257 8028507 1 FN3O3H16C18 AB3C3D16E18 -131.03 3.37 -8.99 -1.01 0
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38258 8028510 1 NO5C22H23 AB5C22D23 -170.21 4.8 -9.24 -0.92 0
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38259 8028513 1 NO5C23H25 AB5C23D25 -177.0 7.0 -9.38 -0.71 0
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38260 8028514 1 NO5C23H25 AB5C23D25 -179.18 6.15 -9.41 -0.79 0
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38261 8028531 2 NSO2C7H8 ABC2D7E8 -128.43 5.93 -8.83 -0.74 0
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38262 8028538 1 ClNO5H20C21 ABC5D20E21 -169.21 5.59 -9.19 -1.15 0
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38263 8028558 1 O2N3C15H17 A2B3C15D17 -53.78 2.88 -9.31 -0.82 0
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38264 8028561 1 S2N3O4C16H17 A2B3C4D16E17 -90.92 5.87 -9.29 -0.99 0
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38265 8028566 1 O4N5H15C19 A4B5C15D19 -14.07 6.79 -8.65 -1.72 1
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38266 8028590 1 ClN2O5C19H24 AB2C5D19E24 -171.63 10.53 0.0 0.0 0
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38267 8028592 1 N2S2O5C18H20 A2B2C5D18E20 -161.13 8.23 -9.73 -0.92 1
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38268 8028597 1 N2O4C23H33 A2B4C23D33 -165.37 2.86 0.0 0.0 0
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38269 8028603 2 NO2C12H17 AB2C12D17 -188.91 2.64 -9.01 -0.95 -1
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38270 8028617 1 NSO6H18C21 ABC6D18E21 -139.4 5.7 0.0 0.0 0
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38271 8028637 1 Cl2N2S2O3H14C15 A2B2C2D3E14F15 -73.19 3.42 -9.7 -0.98 0
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38272 8028822 1 NSO3H21C23 ABC3D21E23 -54.17 4.63 -8.78 -1.0 0
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38273 8028823 1 NSO3H21C23 ABC3D21E23 -54.67 2.4 -8.75 -1.02 0
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38274 8028841 1 N2O4H20C21 A2B4C20D21 -105.62 4.12 -9.22 -1.04 0
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38275 8028847 2 NO2C11H15 AB2C11D15 -179.45 2.94 -8.97 -1.03 0
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38276 8028865 1 N3O4C21H23 A3B4C21D23 -110.24 8.68 -9.27 -1.08 1
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38277 8028945 1 N3O4C18H22 A3B4C18D22 -136.39 7.53 0.0 0.0 1