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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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324244 126677221 1 SN3O7C21H37 AB3C7D21E37 -303.84 1.84 -9.08 -0.98 0
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324245 126677224 1 OSN8H34C36 ABC8D34E36 203.85 9.97 -7.72 -1.82 0
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324246 126677225 1 INOC10H10 ABCD10E10 0.07 2.95 -8.46 -0.74 0
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324247 126677226 1 NO3C8H17 AB3C8D17 -127.04 2.17 -10.0 0.88 0
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324248 126677229 1 NO3C13H13 AB3C13D13 -37.38 1.85 -9.95 -0.48 0
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324249 126677232 1 ON3C16H21 AB3C16D21 8.42 3.4 -8.12 -0.11 0
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324250 126677233 1 ON3C10H17 AB3C10D17 -19.38 2.03 -8.28 0.77 0
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324251 126677235 1 N4O12C23H44 A4B12C23D44 -569.58 7.59 -9.55 0.26 0
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324252 126677237 1 N2O4C17H34 A2B4C17D34 -126.45 2.79 -8.4 0.11 0
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324253 126677238 1 IPN2O4C7H8 ABC2D4E7F8 -145.08 0.77 -9.77 -1.69 0
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324254 126677244 1 O2N3C9H15 A2B3C9D15 -45.78 5.6 -8.6 0.72 0
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324255 126677245 1 NO8C10H13 AB8C10D13 -254.05 5.38 -10.05 -1.98 0
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324256 126677247 1 O3C10H12 A3B10C12 -74.57 3.52 -9.9 -0.75 0
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324257 126677249 1 O2N3C10H15 A2B3C10D15 -48.34 3.9 -9.42 0.68 0
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324258 126677250 1 N3O3C10H17 A3B3C10D17 -81.08 0.8 -8.81 0.5 0
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324259 126677256 1 ClPN3O9C22H31 ABC3D9E22F31 -443.23 4.37 -9.71 -0.42 0
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324260 126677259 1 BrClNO7C21H29 ABCD7E21F29 -341.2 2.96 -9.22 -0.64 -1
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324261 126677261 1 BrClIP2S3C6O6H8 ABCD2E3F6G6H8 -273.69 7.48 0.0 0.0 0
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324262 126677266 1 ClPC5H12 ABC5D12 -32.57 0.73 -9.35 0.76 0
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324263 126677267 2 NOC6H10 ABC6D10 -55.17 3.26 -10.24 -0.29 0
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324264 126677268 1 N2O2C13H22 A2B2C13D22 -62.38 3.57 -10.25 -0.27 0
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324265 126677269 1 BrClPN4O12C31H43 ABCD4E12F31G43 -603.75 4.84 -9.74 -1.53 0
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324266 126677270 1 O2C17H18 A2B17C18 -41.48 3.5 -8.19 -0.25 0
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324267 126677271 1 ClPN3O10C23H31 ABC3D10E23F31 -482.52 8.43 -9.82 -0.53 0
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324268 126677274 1 PSO2N3C9H22 ABC2D3E9F22 -161.86 2.64 -8.76 0.12 0
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324269 126677275 1 BrClO4C5H6 ABC4D5E6 -168.9 4.88 -11.07 -1.76 0
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324270 126677276 1 ON2C7H14 AB2C7D14 -5.57 4.29 -9.25 0.06 0
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324271 126677277 1 ClNO2C20H22 ABC2D20E22 -80.96 5.01 -8.91 -0.58 0
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324272 126677282 1 ClNO2H12C14 ABC2D12E14 -58.76 5.22 -9.0 -0.59 0
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324273 126677283 1 O5C9H18 A5B9C18 -212.46 5.88 -9.55 1.41 0
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324274 126677284 1 ClNF3O3H11C15 ABC3D3E11F15 -260.5 3.89 -9.21 -0.94 0
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324275 126677285 1 ClNO4C18H18 ABC4D18E18 -152.98 1.45 -9.05 -0.64 1
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324276 126677287 1 SO3N4H13C16 AB3C4D13E16 18.19 11.46 0.0 0.0 0
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324277 126677288 1 PSO2N3C7H18 ABC2D3E7F18 -144.27 3.04 -8.81 0.1 0
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324278 126677291 1 N2O2C15H16 A2B2C15D16 -17.32 4.52 -8.91 -0.75 0
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324279 126677295 1 PN3O5C16H34 AB3C5D16E34 -311.36 5.9 -8.92 0.84 0
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324280 126677308 1 FN6H19C20 AB6C19D20 110.64 4.51 -8.99 -0.95 0
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324281 126677309 2 N3H7C9 A3B7C9 170.26 3.79 -8.68 -1.57 0
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324282 126677313 1 ClPO4N6C37H46 ABC4D6E37F46 -124.12 8.13 -8.66 -0.27 0
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324283 126677314 1 OSN2C8H12 ABC2D8E12 -0.97 5.62 -8.76 -0.56 0
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324284 126677315 1 N3O4C33H35 A3B4C33D35 -76.84 1.9 -9.44 -0.18 0
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324285 126677318 1 ON6H14C19 AB6C14D19 138.36 3.37 -8.99 -1.57 0
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324286 126677320 1 FN6H11C18 AB6C11D18 138.77 3.97 -9.09 -1.68 0
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324287 126677324 1 O3N5C19H23 A3B5C19D23 -1.57 3.09 -8.49 -0.99 0
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324288 126677326 1 O3N4C14H26 A3B4C14D26 -121.63 3.97 -8.03 0.44 0
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324289 126677332 1 N3O4C33H35 A3B4C33D35 -77.6 3.49 -9.47 -0.31 0
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324290 126677341 1 ClN3O3C21H30 AB3C3D21E30 -106.09 5.3 -8.52 0.21 0
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324291 126677348 1 OF3N5H14C16 AB3C5D14E16 -93.49 0.9 -8.81 -1.04 0
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324292 126677351 1 SN3O6C26H33 AB3C6D26E33 -236.05 3.11 -8.88 -0.59 0
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324293 126677352 1 NO2C11H15 AB2C11D15 -34.16 2.74 -9.36 -0.2 0