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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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14234 407017 1 ON2C18H28 AB2C18D28 -30.46 2.33 -8.57 0.23 0
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14235 407018 1 ClH3O4 AB3C4 -90.67 0.77 -11.53 -0.08 0
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14236 407019 1 SN2C13H18 AB2C13D18 36.39 7.21 -8.49 -0.39 0
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14237 407024 1 N2O2C5H12 A2B2C5D12 -32.11 2.89 -9.76 -0.37 0
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14238 407028 1 NC8H13 AB8C13 9.5 1.21 -8.11 0.59 0
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14239 407032 1 NO2H11C14 AB2C11D14 -26.44 6.0 -8.25 -0.77 0
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14241 407052 1 NC14H25 AB14C25 -15.68 1.26 -8.05 0.64 0
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14242 407055 1 NC10H17 AB10C17 0.41 1.35 -8.06 0.61 0
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14243 407060 1 CuS2N4C14H20 AB2C4D14E20 257.63 11.19 0.0 0.0 -4
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14246 407146 1 NOC18H23 ABC18D23 -3.18 2.42 -8.44 0.35 0
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14247 407177 1 N2H14C15 A2B14C15 81.44 2.1 -7.69 -0.74 0
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14248 407237 1 SN3C16H19 AB3C16D19 74.57 3.49 -7.89 -0.75 0
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14249 407239 1 FeCl4 AB4 -649.86 0.01 -7.71 -0.16 0
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14250 407240 1 NO2C20H40 AB2C20D40 -135.27 4.5 0.0 0.0 1
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14251 407241 1 N2H17C20 A2B17C20 85.84 3.28 0.0 0.0 1
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14252 407242 1 CuN2O2C16H18 AB2C2D16E18 36.38 3.72 0.0 0.0 0
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14253 407246 2 NSC8H16 ABC8D16 -44.93 2.73 -8.7 -0.81 0
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14254 407247 1 N2C26H47 A2B26C47 -30.99 3.62 0.0 0.0 1
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14255 407249 2 NCl2C12H12 AB2C12D12 58.26 3.04 -7.09 -0.84 2
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14256 407270 1 N3O5C26H33 A3B5C26D33 -151.25 1.84 -8.51 -0.9 0
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14257 407271 1 PN3O5C27H46 AB3C5D27E46 -294.22 3.56 -8.24 -0.33 0
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14259 407299 1 AsN2O2C9H11 AB2C2D9E11 54.94 4.95 -8.82 -1.3 0
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14260 407303 1 HgN2O2C18H24 AB2C2D18E24 44.64 5.33 -8.3 -0.26 0
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14261 407311 1 NOC13H14 ABC13D14 10.89 1.87 0.0 0.0 1
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14262 407383 1 CoO4C10H16 AB4C10D16 -142.34 3.55 0.0 0.0 0
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14264 407386 1 MnO4C10H16 AB4C10D16 -131.77 6.43 0.0 0.0 0
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14265 407402 1 N3H27C32 A3B27C32 149.08 4.54 -8.21 -0.99 0
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14266 407403 1 SN3O4H29C32 AB3C4D29E32 -56.68 8.11 -8.39 -0.73 0
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14267 407404 1 N2S2O7C37H37 A2B2C7D37E37 -167.91 6.9 0.0 0.0 1
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14268 407405 1 N4C9H17 A4B9C17 69.94 0.74 0.0 0.0 1
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14269 407529 1 NO2C21H29 AB2C21D29 -75.59 2.57 -8.81 0.32 0
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14270 407568 1 ClON2C26H33 ABC2D26E33 -24.94 4.89 -8.72 -0.91 0
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14271 407585 2 NO4H12C21 AB4C12D21 -131.69 3.11 -8.91 -2.19 0
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14272 407614 1 ON2C7H10 AB2C7D10 31.05 1.67 -8.12 0.16 0
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14273 407632 1 NOC21H23 ABC21D23 19.61 1.72 -8.64 -0.42 0
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14274 407633 1 BrNOC17H20 ABCD17E20 2.72 3.79 -8.83 0.07 0
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14275 407635 1 NOC21H27 ABC21D27 -15.63 2.13 -8.66 0.35 0
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14276 407637 1 N2O5C13H16 A2B5C13D16 -105.45 3.04 -9.07 -1.99 0
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14277 407656 1 ClN3O5C14H24 AB3C5D14E24 -131.36 4.57 -8.61 -0.66 0
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14278 407671 1 NO2C19H21 AB2C19D21 -35.08 3.57 -8.36 -0.51 0
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14279 407676 1 NO2C21H31 AB2C21D31 -77.93 2.25 -8.31 -0.26 0
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14280 407810 1 BrNOC16H24 ABCD16E24 -40.87 3.36 -8.95 -0.78 0
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14281 407983 1 SN2O4C42H90 AB2C4D42E90 -312.71 3.64 -8.51 -0.86 2
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14282 407992 1 ClNOC16H18 ABCD16E18 -11.0 2.48 -9.12 -0.08 0
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14283 408001 1 ClNOC20H28 ABCD20E28 -49.31 3.95 -8.85 -0.71 0
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14284 408046 1 ClN3C19H29 AB3C19D29 35.82 5.91 0.0 0.0 1
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14285 408047 1 ON5C9H11 AB5C9D11 46.74 5.35 -9.77 -1.32 0
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14286 408053 1 AsCl2N4H9C10 AB2C4D9E10 23.76 3.11 -8.92 -1.01 0
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14287 408056 1 AsNS2O6C12H16 ABC2D6E12F16 -237.49 9.76 -8.8 -1.55 0
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14288 408060 1 NOC10H15 ABC10D15 -26.31 2.84 -8.77 0.28 0