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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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62301 26719084 1 NO3H19C23 AB3C19D23 -44.93 5.92 -9.05 -1.09 0
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62302 26719093 1 SN2O2C22H22 AB2C2D22E22 -1.24 4.48 -8.54 -0.67 0
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62303 26719097 1 SN2O2H16C18 AB2C2D16E18 11.19 4.75 -8.95 -0.86 0
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62304 26719098 1 SN2O3C20H24 AB2C3D20E24 -84.04 7.24 -9.01 -0.52 0
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62305 26719101 1 ClOSN2H13C17 ABCD2E13F17 44.22 2.69 -8.9 -1.44 0
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62306 26719104 1 O2S2N3C21H23 A2B2C3D21E23 -43.78 2.88 -8.8 -1.13 0
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62307 26719124 1 BrSO3N4C19H21 ABC3D4E19F21 -68.17 7.46 -8.85 -0.89 0
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62308 26719128 1 BrNO2F4H8C16 ABC2D4E8F16 -189.82 3.69 -9.08 -1.56 0
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62309 26719133 1 BrN2O5H15C16 AB2C5D15E16 -61.72 9.07 -9.09 -1.37 0
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62310 26719134 1 BrClNO2H11C15 ABCD2E11F15 -38.16 2.75 -9.14 -0.56 0
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62311 26719138 1 BrO2N3H16C21 AB2C3D16E21 29.35 8.85 -8.88 -0.88 0
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62312 26719147 1 BrFNOCl2H7C13 ABCDE2F7G13 -51.85 2.05 -9.34 -1.47 0
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62313 26719161 1 ON3C19H19 AB3C19D19 31.66 2.07 -8.74 -0.6 0
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62314 26719162 1 OCl2N2H10C13 AB2C2D10E13 -2.49 3.56 -9.17 -1.31 0
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62315 26719167 1 NO2H19C21 AB2C19D21 -16.86 2.96 -8.66 -0.61 0
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62316 26719180 1 N2O6C17H18 A2B6C17D18 -114.01 6.69 -8.83 -1.17 0
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62317 26719184 1 FOSN2H13C17 ABCD2E13F17 -11.77 2.3 -8.77 -1.38 0
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62318 26719203 1 SN3O4H15C16 AB3C4D15E16 -74.24 6.04 -8.86 -1.13 0
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62319 26719214 1 N2O2H20C23 A2B2C20D23 11.33 7.05 -8.24 -0.33 0
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62320 26719222 1 O2N3H19C20 A2B3C19D20 -38.35 6.41 -8.72 -1.04 0
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62321 26719229 1 SO2N4H20C21 AB2C4D20E21 -28.73 3.69 -8.72 -1.5 0
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62322 26719231 1 ON3C21H21 AB3C21D21 56.77 2.9 -8.82 -0.62 0
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62323 26719236 1 SN4O5H24C25 AB4C5D24E25 -46.96 5.67 -8.79 -2.0 0
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62324 26719237 1 FNOSH14C17 ABCDE14F17 -38.03 4.53 -8.76 -1.28 0
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62325 26719241 1 ClNO2H16C17 ABC2D16E17 -56.15 2.97 -8.85 -0.43 0
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62326 26719250 1 O2S2N3H23C24 A2B2C3D23E24 -16.97 6.52 -8.69 -1.11 0
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62327 26719258 1 ClFSN3O4H21C23 ABCD3E4F21G23 -163.44 6.23 -8.33 -1.58 0
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62328 26719259 1 SN2O3H16C19 AB2C3D16E19 -72.33 3.52 -8.62 -1.57 0
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62329 26719277 1 NO2H21C22 AB2C21D22 -23.1 1.8 -8.48 -0.49 0
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62330 26719280 1 ClN2O2C19H19 AB2C2D19E19 -62.79 2.23 -8.7 -0.48 0
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62331 26719283 1 NO2F4H13C18 AB2C4D13E18 -210.04 2.98 -8.63 -1.4 0
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62332 26719290 1 ClNO2H16C17 ABC2D16E17 -58.64 1.47 -8.67 -0.42 0
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62333 26719311 1 FOCl2N2H7C12 ABC2D2E7F12 -39.7 4.7 -9.02 -1.58 0
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62334 26719314 1 BrNSO2C16H18 ABCD2E16F18 -43.8 1.04 -8.26 -0.48 0
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62335 26719315 1 SO2N3C15H15 AB2C3D15E15 -7.59 4.36 -8.13 -0.83 0
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62336 26719317 2 NO2C9H11 AB2C9D11 -152.03 1.03 -8.3 -0.22 0
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62337 26719326 1 ClNO3H16C17 ABC3D16E17 -86.6 1.33 -8.42 -0.42 0
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62338 26719333 1 N5O5C25H27 A5B5C25D27 -124.98 4.76 -8.34 -0.55 0
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62339 26719334 1 S2N3O3C22H25 A2B3C3D22E25 -88.69 4.28 -8.47 -1.06 0
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62340 26719344 1 N3O6H17C23 A3B6C17D23 -77.53 9.18 -8.69 -2.04 0
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62341 26719345 1 N3O5H17C23 A3B5C17D23 -48.36 6.63 -9.18 -2.03 0
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62342 26719381 1 O3N4C16H16 A3B4C16D16 7.21 8.26 -9.34 -1.3 0
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62343 26719387 1 SN3O5C17H17 AB3C5D17E17 -88.06 4.29 -9.45 -1.33 0
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62344 26719390 1 N3O8H15C16 A3B8C15D16 -107.41 9.59 -9.57 -1.47 0
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62345 26719397 1 FSN3O3H10C16 ABC3D3E10F16 -5.48 6.48 -9.51 -1.69 0
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62346 26719414 2 NO2C7H7 AB2C7D7 -59.47 9.47 -9.25 -1.23 0
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62347 26719415 1 O3N5H13C16 A3B5C13D16 62.93 9.59 -9.42 -1.38 1
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62348 26719428 1 O2N4C29H29 A2B4C29D29 12.51 5.58 0.0 0.0 1
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62349 26719436 1 O3N6H25C26 A3B6C25D26 106.0 6.37 0.0 0.0 1
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62350 26719438 1 N3O5C27H30 A3B5C27D30 -14.49 23.57 0.0 0.0 1