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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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412325 135085215 1 FeN2H48C49 AB2C48D49 346.07 7.27 -7.72 -0.87 0
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412326 135085216 1 ClNSC16H22 ABCD16E22 41.44 14.66 -7.28 -1.95 2
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412328 135085218 1 TiO2H20C22 AB2C20D22 -27.85 1.51 -7.68 -1.07 0
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412329 135085219 1 ClRuSN2O2C31H34 ABCD2E2F31G34 127.15 6.21 0.0 0.0 -4
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412332 135085222 1 NiI2P2H36C40 AB2C2D36E40 84.35 7.07 -7.12 -0.7 -5
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412335 135085225 1 SiC20H30 AB20C30 -14.58 1.82 -7.72 -0.17 0
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412336 135085226 2 NOC6H12 ABC6D12 -100.8 1.53 -7.44 0.95 -2
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412337 135085227 4 C6H7 A6B7 63.76 0.44 -7.98 -1.14 -4
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412339 135085229 1 N2O2H30C31 A2B2C30D31 19.12 2.93 -9.22 -0.04 0
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412341 135085231 1 YN2P2Si2C32H42 AB2C2D2E32F42 28.97 4.58 0.0 0.0 1
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412345 135085235 1 AuClOP2H34C39 ABCD2E34F39 156.12 34.07 -5.76 -1.59 0
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412346 135085236 1 OPtSi2C8H20 ABC2D8E20 -61.39 3.16 -8.94 -0.58 0
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412347 135085237 1 P2O7C59H78 A2B7C59D78 -261.08 2.97 -8.33 0.0 1
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412348 135085238 1 N2O6C15H29 A2B6C15D29 -232.84 3.79 0.0 0.0 0
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412349 135085239 1 SF3N3C24H24 AB3C3D24E24 -71.83 8.89 -8.68 -0.66 1
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412350 135085240 1 ON3C13H16 AB3C13D16 34.4 2.56 0.0 0.0 0
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412351 135085241 1 TiN6C26H34 AB6C26D34 75.07 18.23 -7.27 -1.46 0
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412352 135085242 1 O2N4F6H34C39 A2B4C6D34E39 -274.24 3.34 -8.91 -1.77 0
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412353 135085243 1 ClON4C25H25 ABC4D25E25 46.18 3.15 -9.08 -1.06 0
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412354 135085244 1 Br2N4O4C25H30 A2B4C4D25E30 -57.1 9.44 -8.75 -0.45 0
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412355 135085245 1 SN2O5C34H38 AB2C5D34E38 -126.0 1.48 -9.47 0.09 0
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412356 135085246 2 NNiO2H12C14 ABC2D12E14 142.41 4.42 -7.63 -3.74 4
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412357 135085247 2 NNiO2H12C14 ABC2D12E14 -45.92 6.47 -5.28 -1.52 2
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412358 135085248 1 ON3C20H29 AB3C20D29 -0.27 10.29 -6.69 0.22 -1
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412360 135085250 1 PRuO2N3C33H35 ABC2D3E33F35 220.18 29.76 0.0 0.0 1
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412361 135085251 1 ClNPRuC20H21 ABCDE20F21 100.17 23.54 -6.73 -1.28 3
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412363 135085253 1 FeS2F6N6O6C26H36 AB2C6D6E6F26G36 -496.81 6.47 -8.14 -2.28 -1
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412365 135085255 1 IrOP2C20H38 ABC2D20E38 -43.47 19.8 0.0 0.0 0
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412366 135085256 1 FeS2N4F6O6C30H32 AB2C4D6E6F30G32 -480.71 5.94 -8.08 -1.49 0
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412367 135085257 4 NC7H8 AB7C8 85.29 3.02 -8.07 -0.47 3
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412368 135085258 1 MnN2O2C28H38 AB2C2D28E38 -7.95 4.14 0.0 0.0 0
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412369 135085259 1 PdO2P2H10 AB2C2D10 -27.78 1.95 -7.35 1.14 0
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412370 135085260 1 NYSi2C8H24 ABC2D8E24 -189.68 4.31 -7.85 -0.13 0
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412371 135085261 1 AlLiNC15H33 ABCD15E33 -67.17 6.84 -7.17 3.2 -1
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412372 135085262 1 AlNC15H33 ABC15D33 -67.97 5.86 0.0 0.0 0
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412373 135085263 1 OC14H22 AB14C22 -28.33 1.25 -9.39 1.02 0
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412374 135085265 1 IOC13H15 ABC13D15 18.52 2.2 -9.07 -1.07 0
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412375 135085266 1 ON2H14C15 AB2C14D15 21.9 5.86 -9.47 -0.66 1
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412376 135085267 1 ClN2H10C12 AB2C10D12 55.22 4.53 0.0 0.0 0
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412377 135085268 1 NOH13C14 ABC13D14 13.54 6.15 -8.68 -0.67 0
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412378 135085269 1 NO4C8H9 AB4C8D9 -91.12 4.29 -9.7 -0.63 0
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412379 135085270 1 NaN2O2C19H21 AB2C2D19E21 -0.07 23.08 -6.38 -1.02 0
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412380 135085271 2 RhC2O2H4 AB2C2D4 -201.57 8.61 -9.1 -4.82 0
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412381 135085272 1 BON3F4C22H24 ABC3D4E22F24 -312.92 11.89 -9.68 -1.29 -1
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412383 135085274 1 OPN3C15H18 ABC3D15E18 -59.5 5.26 -8.73 -0.46 0
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412384 135085275 1 ClON3F6H14C20 ABC3D6E14F20 -241.88 11.46 -7.22 -2.74 0
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412385 135085276 1 BOSiN3F4C29H34 ABCD3E4F29G34 -337.39 12.71 -9.26 -1.28 1
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412386 135085277 1 OSiN3C29H34 ABC3D29E34 27.28 2.46 0.0 0.0 0
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412388 135085279 1 RuS2F3N3O4C33H36 AB2C3D3E4F33G36 -92.48 14.44 -7.91 -2.51 0
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412389 135085280 1 NOC20H29 ABC20D29 -39.26 1.38 -9.1 0.52 3