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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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408198 135080959 1 CoN8O8S8H64C88 AB8C8D8E64F88 686.2 94.5 0.0 0.0 0
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408199 135080960 1 ZnN8O8S8H64C88 AB8C8D8E64F88 381.38 7.37 -8.28 -1.68 0
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408201 135080962 1 BOH5N6F12C30 ABC5D6E12F30 -336.33 3.44 -8.98 -2.99 0
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408202 135080963 1 BN6H17C26 AB6C17D26 150.63 3.55 -7.61 -2.04 0
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408203 135080964 1 N2O2C11H16 A2B2C11D16 -75.78 4.56 -9.53 -0.17 0
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408204 135080965 1 N2O2C13H20 A2B2C13D20 -83.48 3.03 -9.62 -0.02 0
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408205 135080966 1 ClNO2C11H20 ABC2D11E20 -89.73 2.23 -9.23 0.45 0
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408206 135080967 1 IPO3C9H18 ABC3D9E18 -193.63 1.13 -9.52 -0.79 0
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408207 135080968 1 FPO3C8H14 ABC3D8E14 -217.25 1.5 -9.9 -0.41 0
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408208 135080969 1 NOC12H13 ABC12D13 -5.79 4.53 -9.92 -0.67 0
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408209 135080970 1 O3C13H24 A3B13C24 -182.43 4.93 -10.34 0.96 0
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408210 135080971 1 NO4C11H17 AB4C11D17 -182.71 2.81 -9.92 0.53 0
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408211 135080972 2 OC6H11 AB6C11 -136.53 5.26 -10.41 0.93 0
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408212 135080973 1 NO2C11H11 AB2C11D11 -39.08 2.78 -10.27 -0.94 0
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408213 135080974 1 FNO3C10H10 ABC3D10E10 -74.41 3.95 -10.1 -0.63 0
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408214 135080975 1 O3C13H24 A3B13C24 -149.85 4.24 -10.1 0.59 0
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408215 135080976 1 N2C9H16 A2B9C16 40.49 2.21 -9.0 0.11 0
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408216 135080977 2 HLiSC3 ABCD3 99.12 11.37 -7.26 1.18 0
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408217 135080978 1 O2C9H12 A2B9C12 -58.58 4.51 -9.89 0.59 0
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408218 135080979 2 O2C5H9 A2B5C9 -187.44 2.66 -10.18 0.61 0
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408219 135080980 1 NSiO2C10H23 ABC2D10E23 -179.9 3.8 -9.72 1.1 0
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408220 135080981 1 NO2C11H13 AB2C11D13 -44.33 5.27 -9.07 -0.16 0
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408221 135080982 1 O4C7H14 A4B7C14 -193.56 2.27 -10.09 -0.02 0
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408222 135080984 1 NOC13H19 ABC13D19 -42.88 4.39 -9.53 -0.3 -2
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408223 135080985 1 NO4C8H13 AB4C8D13 -177.79 1.98 -8.46 0.22 0
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408224 135080986 1 BrClOC13H14 ABCD13E14 -7.03 2.33 -9.34 -0.11 0
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408225 135080987 1 OS2F3C9H13 AB2C3D9E13 -201.67 3.4 -9.21 -0.97 0
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408226 135080988 1 ClO4C9H9 AB4C9D9 -120.03 1.62 -9.52 -0.57 0
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408227 135080989 1 IO2C11H11 AB2C11D11 -47.98 1.4 -9.23 -1.24 0
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408228 135080990 1 ZnF8H8N8C32 AB8C8D8E32 3.83 0.31 -9.45 -2.34 0
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408229 135080991 1 FSH4Cl5C10 ABC4D5E10 -18.89 1.37 -9.21 -1.03 0
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408230 135080992 1 OZnN8C50H52 ABC8D50E52 304.3 8.58 -8.75 -2.27 0
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408231 135080993 1 ON8C50H54 AB8C50D54 252.39 8.57 -7.45 -1.98 0
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408232 135080994 1 BrNSO2Cl3C9H11 ABCD2E3F9G11 -6.26 6.73 -9.55 -1.61 0
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408233 135080995 1 O3H10C12 A3B10C12 -79.82 5.42 -9.38 -0.64 0
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408234 135080996 1 NO2C13H17 AB2C13D17 -45.86 2.04 -8.93 0.22 0
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408235 135080997 1 NO3C11H21 AB3C11D21 -85.42 5.92 -9.94 -0.73 0
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408236 135080998 2 NC7H8 AB7C8 70.01 5.23 -9.54 -0.28 0
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408237 135080999 1 NSeC11H13 ABC11D13 33.5 5.83 -8.18 -0.9 0
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408238 135081000 1 OC11H18 AB11C18 -53.7 3.83 -9.2 0.52 0
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408239 135081001 1 NO2F3C7H10 AB2C3D7E10 -181.6 5.58 -10.71 -0.53 0
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408240 135081002 1 NO4C11H13 AB4C11D13 -81.55 3.87 -9.81 -0.63 0
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408241 135081003 2 OC6H10 AB6C10 -105.75 5.17 -9.9 0.7 0
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408242 135081004 2 O2C4H7 A2B4C7 -201.27 3.92 -10.88 0.55 0
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408243 135081005 1 NOC12H13 ABC12D13 -0.32 4.0 -9.94 -0.17 0
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408244 135081006 1 IC11H11 AB11C11 76.69 1.87 -9.04 -0.76 0
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408245 135081007 1 ClON2C12H15 ABC2D12E15 -12.14 4.22 -9.53 -0.15 0
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408246 135081008 1 NOC9H11 ABC9D11 7.77 3.44 -8.28 0.46 0
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408247 135081009 1 O3C14H14 A3B14C14 -81.32 2.0 -9.49 0.03 0
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408248 135081010 1 INSO2C12H12 ABCD2E12F12 29.84 6.13 -8.9 -0.74 0
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408249 135081011 1 OSSeH6C7 ABCD6E7 7.68 1.02 -8.14 -0.62 -1
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408250 135081012 1 CoH5O6C7 AB5C6D7 -169.33 23.52 -10.44 -6.13 0
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408251 135081013 1 NO3H9C10 AB3C9D10 -73.85 7.45 -10.43 -0.69 0
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408252 135081014 1 PC7O8H15 AB7C8D15 -416.9 2.12 -9.98 0.11 -2
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408253 135081016 1 NO4C10H17 AB4C10D17 -194.51 2.07 -9.06 0.53 -2
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408254 135081017 1 NO4C11H19 AB4C11D19 -192.7 1.93 -8.43 0.21 -2
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408255 135081018 1 NO4C8H13 AB4C8D13 -182.03 2.0 -8.56 0.53 0
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408256 135081019 1 OC7H10 AB7C10 14.63 1.6 -8.92 0.67 0
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408258 135081021 1 FNOC10H18 ABCD10E18 -132.0 5.12 -9.87 0.84 0
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408259 135081022 1 BrOC11H13 ABC11D13 -25.37 2.22 -9.48 -0.41 0
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408260 135081023 1 NS2O4C8H11 AB2C4D8E11 -89.95 5.13 -9.13 -1.41 0
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408261 135081024 1 ZnF8H8N8C32 AB8C8D8E32 10.31 2.2 -7.9 -2.52 0
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408262 135081025 1 MgN8S8H88C136 AB8C8D88E136 877.15 29.35 -7.38 -2.88 0
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408263 135081026 2 N4S4H45C68 A4B4C45D68 750.08 4.92 -7.93 -2.58 0
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408264 135081027 1 BN6O16F36H37C54 AB6C16D36E37F54 -2360.06 8.16 -8.24 -2.93 0
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408265 135081028 1 BO2F3N6H12C26 AB2C3D6E12F26 -87.92 8.28 -7.93 -2.5 0
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408266 135081029 1 ZnO2N8H44C51 AB2C8D44E51 285.0 5.42 -9.29 -1.76 0
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408267 135081031 1 ZnO4N8H42C48 AB4C8D42E48 179.96 11.11 -9.09 -2.3 0
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408268 135081032 4 ON2H11C12 AB2C11D12 153.21 6.39 -7.81 -2.65 0
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408269 135081033 1 OC11H18 AB11C18 -19.51 1.92 -9.97 1.02 0
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408270 135081034 1 FN2C10H15 AB2C10D15 -36.17 1.66 -9.45 -0.25 0
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408271 135081035 1 NO3C13H23 AB3C13D23 -183.2 2.72 -9.76 0.53 0
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408272 135081036 1 ClNPO4C8H17 ABCD4E8F17 -237.36 5.27 -8.82 0.14 0
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408273 135081037 1 O2F3C11H13 A2B3C11D13 -227.95 3.93 -9.44 -0.64 0
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408274 135081038 1 NS2O3C9H11 AB2C3D9E11 -92.37 2.04 -9.3 -1.81 0
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408275 135081039 1 NOC11H13 ABC11D13 40.3 3.9 -9.7 0.48 0
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408276 135081040 1 NOC7H9 ABC7D9 -0.83 4.1 -9.35 0.43 0
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408277 135081041 1 NO2C12H23 AB2C12D23 -120.94 4.08 -9.02 1.35 0
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408278 135081042 1 FC15H15 AB15C15 -11.72 1.39 -9.28 0.25 0
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408279 135081043 1 NSO2C14H29 ABC2D14E29 -120.87 1.99 -8.4 0.82 0
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408280 135081044 1 BrO3C13H15 AB3C13D15 -108.06 2.39 -9.62 -0.42 0
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408281 135081045 1 BrPO3C8H14 ABC3D8E14 -147.17 1.43 -10.62 -0.38 0
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408282 135081046 1 O4C13H14 A4B13C14 -137.31 0.7 -9.55 -1.12 0
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408283 135081047 1 OSe2H6C7 AB2C6D7 3.23 0.79 -8.1 -0.51 0
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408284 135081048 1 NSO2C10H11 ABC2D10E11 -44.41 6.65 -8.18 -0.58 0
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408285 135081049 1 O3C13H16 A3B13C16 -96.67 3.53 -8.78 0.22 0
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408286 135081050 1 NSO3C11H11 ABC3D11E11 -79.43 5.0 -8.83 -0.8 0
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408287 135081051 1 NF3O3C8H12 AB3C3D8E12 -314.36 4.02 -10.34 0.3 0
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408288 135081052 1 NOC11H13 ABC11D13 -13.21 2.67 -9.14 0.42 -1
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408289 135081053 1 NO4C11H14 AB4C11D14 -137.61 1.23 0.0 0.0 0
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408290 135081054 1 SiO2C14H28 AB2C14D28 -147.87 1.88 -9.47 0.34 0
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408291 135081055 1 OC15H22 AB15C22 -2.45 3.31 -9.12 1.08 0
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408292 135081056 1 ClOF3H4C8 ABC3D4E8 -138.33 0.68 -9.63 -0.66 0
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408293 135081057 1 BrO2N3H8C12 AB2C3D8E12 -13.13 7.11 -9.6 -1.13 0
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408294 135081058 1 OC13H16 AB13C16 -23.48 2.98 -9.59 -0.32 0
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408295 135081059 1 OC11H22 AB11C22 -85.02 2.55 -9.59 1.13 0
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408296 135081060 1 FeO3C13H20 AB3C13D20 -61.3 6.93 -7.09 0.93 0
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408297 135081061 2 OC6H9 AB6C9 -78.66 5.49 -9.09 -0.37 0
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408298 135081062 1 BrOF3C10H16 ABC3D10E16 -212.65 3.64 -9.72 -0.81 0
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408299 135081063 1 CuF8H8N8C32 AB8C8D8E32 54.31 3.64 0.0 0.0 0