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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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62251 26718598 1 SO2N3C24H27 AB2C3D24E27 -12.76 4.65 -8.16 -1.04 0
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62252 26718610 1 N4O4C17H20 A4B4C17D20 -124.54 5.77 -8.3 -0.65 0
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62253 26718621 1 O2N4C27H28 A2B4C27D28 20.41 6.95 -8.39 -0.13 0
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62254 26718630 1 N3O6C22H27 A3B6C22D27 -174.58 1.68 -8.12 -0.49 0
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62255 26718631 1 SN3O3C22H23 AB3C3D22E23 -21.69 4.93 -8.14 -0.78 0
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62256 26718638 1 SN3O3C27H27 AB3C3D27E27 -4.15 5.77 -8.25 -1.03 0
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62257 26718646 1 SO4N5H19C20 AB4C5D19E20 -41.52 4.97 -8.81 -1.28 0
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62258 26718654 2 ON3C13H15 AB3C13D15 31.12 2.56 -8.46 -0.35 0
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62259 26718683 1 O4N5C24H35 A4B5C24D35 -197.52 4.45 -8.46 -0.59 0
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62260 26718685 1 ClFSN3O4H21C23 ABCD3E4F21G23 -158.58 4.91 -8.69 -1.56 0
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62261 26718704 1 FSN2O4H23C24 ABC2D4E23F24 -136.54 2.58 -8.29 -1.0 0
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62262 26718708 1 SN2O3H18C19 AB2C3D18E19 -65.06 2.66 -8.5 -0.62 1
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62263 26718710 1 O2N3C23H24 A2B3C23D24 0.01 5.34 0.0 0.0 0
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62264 26718715 1 SN2O4C24H24 AB2C4D24E24 -92.15 3.72 -8.35 -1.28 0
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62265 26718722 1 SF3O3N6C17H17 AB3C3D6E17F17 -184.71 4.41 -9.9 -1.61 0
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62266 26718728 1 SCl3N3O3H8C12 AB3C3D3E8F12 -72.5 6.83 -9.68 -1.92 0
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62267 26718733 1 ClSN4O5H17C20 ABC4D5E17F20 -64.53 10.88 -9.51 -1.56 0
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62268 26718747 1 SO3N5C21H25 AB3C5D21E25 -41.93 10.52 -8.94 -0.77 0
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62269 26718758 1 SN4O4H16C17 AB4C4D16E17 -55.43 9.05 -9.19 -1.22 0
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62270 26718779 1 SN3O7C17H19 AB3C7D17E19 -221.64 6.31 -9.65 -1.29 0
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62271 26718781 1 S2N3O5C19H23 A2B3C5D19E23 -162.55 11.23 -9.59 -1.02 0
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62272 26718831 1 SN2O4H16C19 AB2C4D16E19 -58.58 2.75 -8.89 -0.82 0
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62273 26718853 1 O3N5C15H17 A3B5C15D17 31.12 6.8 -9.77 -1.76 0
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62274 26718874 1 ClN3O3H16C20 AB3C3D16E20 -9.76 5.45 -8.32 -1.0 0
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62275 26718876 1 SN2O5C22H28 AB2C5D22E28 -181.39 8.57 -8.46 -0.55 0
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62276 26718878 1 N2O5C17H18 A2B5C17D18 -169.78 1.66 -8.48 -0.47 0
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62277 26718880 1 ClNSO3H12C18 ABCD3E12F18 -38.38 2.74 -8.49 -1.39 0
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62278 26718881 1 ClN2O5H17C19 AB2C5D17E19 -145.32 6.62 -8.72 -0.44 0
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62279 26718884 1 NO4H15C19 AB4C15D19 -80.27 5.3 -8.37 -0.79 0
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62280 26718889 1 N2O5C20H20 A2B5C20D20 -150.36 3.82 -8.62 -0.32 0
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62281 26718894 1 Cl2N2O3H8C13 A2B2C3D8E13 -56.28 3.33 -8.52 -1.51 0
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62282 26718902 1 SN3O3C25H35 AB3C3D25E35 -111.95 3.35 -8.29 -0.42 0
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62283 26718907 1 O2S2N4C23H26 A2B2C4D23E26 -23.14 1.13 -8.48 -1.17 0
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62284 26718911 1 OSN3C23H25 ABC3D23E25 29.91 3.85 -8.39 -0.84 0
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62285 26718919 1 FN2O2C23H23 AB2C2D23E23 -53.96 4.1 -8.23 -0.79 0
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62286 26718929 1 SO2N3H25C26 AB2C3D25E26 33.33 2.96 -8.59 -0.88 0
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62287 26718933 1 N3O3H23C26 A3B3C23D26 -29.29 3.67 -8.5 -1.75 0
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62288 26718935 1 N3O3C26H27 A3B3C26D27 -29.2 6.86 -8.13 -0.69 0
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62289 26718949 1 BrO2N4H17C19 AB2C4D17E19 24.41 3.25 -8.89 -0.89 0
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62290 26718977 1 BrO4N6H11C16 AB4C6D11E16 55.96 7.71 -9.39 -1.9 0
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62291 26718978 1 BrFSO2N3H13C18 ABCD2E3F13G18 -33.61 2.0 -9.21 -1.49 0
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62292 26718983 1 BrN3O6H16C17 AB3C6D16E17 -92.23 5.07 -9.19 -1.29 0
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62293 26718988 1 BrO2N4H19C23 AB2C4D19E23 35.16 3.93 -9.05 -0.95 0
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62294 26719002 1 BrSO3N4H19C20 ABC3D4E19F20 -63.83 3.85 -8.88 -1.27 0
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62295 26719011 1 FSN2O2H15C19 ABC2D2E15F19 -38.01 1.36 -8.91 -0.81 0
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62296 26719014 1 Cl2O2N5H15C17 A2B2C5D15E17 5.49 9.1 -9.26 -1.38 0
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62297 26719042 1 O5N6C21H24 A5B6C21D24 -55.56 4.04 -9.16 -1.22 0
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62298 26719057 1 O3N4H20C21 A3B4C20D21 -26.29 5.92 -8.83 -0.78 0
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62299 26719066 1 O2N5C24H25 A2B5C24D25 9.06 6.25 -9.22 -0.93 0
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62300 26719073 1 O2N3C19H19 A2B3C19D19 23.02 9.08 -8.48 -0.62 0
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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