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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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400280 135047234 1 CrOC12H12 ABC12D12 185.88 2.61 -7.09 0.28 0
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400281 135047239 1 CrNCl2F3O5C8 ABC2D3E5F8 -191.47 4.68 -8.49 -0.92 0
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400283 135047248 1 FeO3C16H20 AB3C16D20 -68.44 4.37 -8.67 -0.08 0
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400284 135047254 1 BrO2H14C15 AB2C14D15 -20.15 1.34 0.0 0.0 0
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400285 135047276 1 CrNSiO6C18H25 ABCD6E18F25 -0.27 5.93 -6.95 -0.12 0
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400286 135047283 1 CrO5C13H14 AB5C13D14 -202.95 1.77 -7.82 0.17 -2
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400289 135047286 1 CrO6H14C18 AB6C14D18 31.97 3.43 -7.4 0.02 0
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400290 135047289 1 CrO6H10C16 AB6C10D16 -22.55 1.65 -7.55 -0.25 0
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400292 135047355 1 ClCrSiO3C14H17 ABCD3E14F17 -12.58 3.25 -7.57 -0.18 0
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400294 135047393 1 MoPO2H23C27 ABC2D23E27 108.28 5.62 -7.41 0.13 0
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400295 135047394 1 CrSiO3C16H16 ABC3D16E16 80.81 2.61 -7.44 -0.17 0
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400296 135047397 1 CrNSiO3C16H23 ABCD3E16F23 117.16 1.45 -5.95 0.5 0
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400297 135047404 1 FeN2O4C28H28 AB2C4D28E28 25.22 1.24 -8.05 -0.99 -1
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400298 135047405 1 FeO4C14H18 AB4C14D18 -118.9 2.91 -8.49 0.81 0
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400299 135047413 1 OsS2F6N7O8C17H33 AB2C6D7E8F17G33 -621.16 15.73 -9.22 -3.63 0
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400301 135047416 1 OsS2N5F6O8C16H33 AB2C5D6E8F16G33 -640.44 10.83 -8.47 -0.84 0
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400302 135047437 2 NC4H5 AB4C5 65.37 3.63 -9.51 0.54 0
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400303 135047439 1 OsC2S2F6O6N8H12 AB2C2D6E6F8G12 -378.09 7.9 -8.4 -2.23 0
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400304 135047446 1 NC11H15 AB11C15 19.49 2.74 -8.07 0.98 0
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400309 135047451 1 MnO2H7C9 AB2C7D9 125.12 1.91 -7.71 -1.44 0
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400313 135047515 1 NO2C17H19 AB2C17D19 -35.07 1.95 -8.1 0.35 0
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400314 135047518 1 O2C11H17 A2B11C17 -82.77 2.36 0.0 0.0 0
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400315 135047521 1 OsS2F6N6O8C12H32 AB2C6D6E8F12G32 -713.56 7.7 -8.48 -0.79 0
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400316 135047531 1 MnOC10H12 ABC10D12 45.27 2.3 0.0 0.0 -2
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400318 135047559 1 NbCl4P4C12H32 AB4C4D12E32 -271.85 8.26 0.0 0.0 0
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400319 135047563 1 FeO3C19H25 AB3C19D25 22.99 2.54 0.0 0.0 0
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400323 135047583 1 MnO2H9C10 AB2C9D10 207.11 2.09 -5.95 -3.88 0
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400324 135047590 2 MnPO4C13H21 ABC4D13E21 -143.26 3.86 -7.72 -2.56 0
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400325 135047597 1 CrPO9C31H31 ABC9D31E31 -187.37 4.07 -6.9 -0.37 0
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400326 135047599 1 CrSO9C25H26 ABC9D25E26 -160.4 2.97 -7.98 -0.34 0
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400327 135047600 1 SO6C22H26 AB6C22D26 -193.06 2.89 -8.77 -0.45 0
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400329 135047603 1 MoO2C13H18 AB2C13D18 29.37 3.82 -7.05 0.96 0
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400330 135047604 1 CrNSiO6C20H21 ABCD6E20F21 -49.37 1.89 -6.96 -0.14 0
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400331 135047607 1 MoO2C13H18 AB2C13D18 108.2 3.85 -5.89 0.7 2
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400333 135047616 1 WN2O6C34H62 AB2C6D34E62 -11.44 7.4 -5.8 0.03 0
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400337 135047620 1 VC21H33 AB21C33 -25.74 3.52 -8.41 -1.74 0
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400339 135047625 2 LiC10H14 AB10C14 7.72 12.52 -5.86 1.42 -1
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400340 135047627 1 FePO2C16H27 ABC2D16E27 -38.85 1.68 -7.31 1.06 -1
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400341 135047628 1 FeOP2C39H46 ABC2D39E46 162.71 2.98 -7.84 -0.18 0
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400342 135047629 1 RuO3C7H8 AB3C7D8 196.46 0.41 -6.9 -3.02 0
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400343 135047632 1 PRuC26H27 ABC26D27 157.7 5.09 -8.04 -2.71 0
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400344 135047633 1 MnO3C12H14 AB3C12D14 -43.74 3.55 0.0 0.0 0
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400345 135047634 1 MnO3C12H12 AB3C12D12 -33.38 2.77 0.0 0.0 0
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400346 135047635 1 MnO3H8C10 AB3C8D10 -14.32 2.78 0.0 0.0 0
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400348 135047637 1 ClTcH5C7 ABC5D7 160.44 5.14 0.0 0.0 0
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400349 135047638 1 CrO5C17H20 AB5C17D20 -34.22 2.44 -8.09 -0.54 0
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400350 135047639 2 OC7H10 AB7C10 -73.17 0.9 -9.28 0.16 0
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400353 135047653 1 O3C17H24 A3B17C24 -120.18 2.4 -8.63 0.01 0
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400354 135047654 1 CrLi2C5O5 AB2C5D5 -32.14 3.8 -5.3 0.25 0
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400355 135047655 2 NOC11H22 ABC11D22 -74.68 11.78 -5.39 0.8 0
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400356 135047656 1 CrNO5C19H29 ABC5D19E29 35.65 12.82 -7.2 -0.42 0
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400357 135047657 1 BWO2N6C19H25 ABC2D6E19F25 189.99 11.69 -7.01 -0.08 0
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400359 135047660 1 CrC7H12 AB7C12 162.75 2.84 -6.63 0.6 0
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400360 135047662 1 CrNO5C21H25 ABC5D21E25 -693.81 10.8 -8.31 -1.42 -2
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400363 135047666 1 PC15H25 AB15C25 -24.25 1.28 -9.09 0.3 -2
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400365 135047677 1 NTaCl3C22H32 ABC3D22E32 -83.59 3.89 0.0 0.0 0
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400366 135047694 1 CrO4H10C12 AB4C10D12 105.51 2.59 -6.24 0.27 0
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400367 135047707 2 PdO2C9H15 AB2C9D15 -125.82 4.58 -6.81 0.83 2
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400368 135047724 1 RhC17H23 AB17C23 44.75 12.78 -9.2 -3.62 0
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400369 135047725 1 IrOPC29H30 ABCD29E30 59.29 39.9 -9.01 -4.69 0
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400370 135047727 1 FeO6C13H14 AB6C13D14 -98.25 6.75 -7.14 -1.0 0
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400371 135047728 1 O3C10H14 A3B10C14 -102.1 1.98 -9.66 -0.95 0
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400372 135047729 1 FeO4H14C16 AB4C14D16 61.72 1.8 -7.48 0.37 0
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400373 135047730 1 OC13H14 AB13C14 4.13 0.72 -8.68 0.29 0
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400374 135047731 1 FeO6C18H18 AB6C18D18 -70.87 4.6 -7.3 0.19 0
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400375 135047739 2 CoO3C6H6 AB3C6D6 -245.6 8.98 -9.63 -7.4 0
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400378 135047745 1 RhC11H17 AB11C17 58.32 9.63 -10.56 -3.37 0
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400379 135047747 1 O2Rh2P6H10C11F18 A2B2C6D10E11F18 -1466.65 14.11 -10.67 -5.2 0
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400380 135047748 1 NO2Rh2P6H9C14F18 AB2C2D6E9F14G18 -1259.66 21.83 -9.75 -4.94 0
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400381 135047749 1 NO2Rh2P6H7C9F18 AB2C2D6E7F9G18 -1374.44 18.64 -9.93 -4.7 -1
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400382 135047750 1 FePO4F6C13H13 ABC4D6E13F13 -569.84 5.76 -8.59 -0.47 0
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400383 135047751 1 FeO5H12C14 AB5C12D14 -17.24 5.4 -7.22 -0.72 -1
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400385 135047753 1 FeO4H16C17 AB4C16D17 46.24 3.8 -6.96 0.74 0
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400386 135047754 1 OC14H16 AB14C16 -4.05 0.66 -8.6 0.38 -1
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400387 135047755 1 O3C20H31 A3B20C31 -140.75 4.14 0.0 0.0 0