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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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230312 87570632 1 N2O3F6H18C25 A2B3C6D18E25 -374.56 8.83 -9.09 -1.07 0
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230313 87570633 1 O3N5H11C13 A3B5C11D13 8.4 7.0 -9.07 -1.5 0
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230314 87570634 1 N2O3F6H18C25 A2B3C6D18E25 -373.06 2.53 -9.27 -1.24 0
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230315 87570635 2 ON2C12H17 AB2C12D17 -23.24 5.09 -8.36 0.14 0
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230316 87570636 1 NO5C22H33 AB5C22D33 -194.31 5.1 -8.97 0.03 0
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230317 87570638 1 ON2F3C9H13 AB2C3D9E13 -207.34 4.9 -9.85 -0.03 0
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230318 87570639 2 OSC6H8 ABC6D8 -84.01 2.48 -8.94 -1.19 0
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230319 87570640 4 OH4C5 AB4C5 56.19 7.06 -9.12 -0.96 0
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230320 87570641 2 O2H6C7 A2B6C7 -70.51 7.16 -9.11 -0.91 0
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230321 87570645 1 NO6C22H29 AB6C22D29 -197.19 7.59 -8.87 -0.66 0
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230322 87570648 1 OF2C4H10 AB2C4D10 -150.82 3.11 -9.69 2.32 0
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230323 87570651 1 ClON4H17C24 ABC4D17E24 114.85 2.79 -8.84 -1.04 0
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230324 87570652 1 NO6C21H31 AB6C21D31 -218.75 2.38 -8.57 0.19 0
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230325 87570653 1 NO6C21H31 AB6C21D31 -227.15 3.51 -8.6 0.11 0
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230326 87570654 1 SN2O3C25H38 AB2C3D25E38 -152.83 4.76 -8.47 -0.18 0
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230327 87570661 1 N3O6C33H47 A3B6C33D47 -183.56 7.07 -8.02 -0.62 0
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230328 87570663 1 O7C10H14 A7B10C14 -264.25 0.87 -10.37 -0.28 0
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230329 87570664 1 O2N3F9H28C31 A2B3C9D28E31 -478.32 4.92 -9.71 -1.07 0
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230330 87570665 1 O2N6H16C17 A2B6C16D17 43.84 0.87 -8.89 -1.24 0
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230331 87570667 2 NO2C3H6 AB2C3D6 -179.68 9.8 -9.84 -0.03 0
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230332 87570668 1 SCl2N2F4O10H34C40 AB2C2D4E10F34G40 -479.42 8.69 -8.97 -1.53 0
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230333 87570669 1 N2O9C20H28 A2B9C20D28 -383.68 4.81 -8.86 -0.39 0
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230334 87570670 1 O3N4H20C21 A3B4C20D21 -3.22 4.08 -8.92 -0.47 1
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230335 87570671 1 PN4O11H18C26 AB4C11D18E26 -56.26 4.82 0.0 0.0 0
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230336 87570674 1 NSO4C13H17 ABC4D13E17 -162.82 9.94 -9.61 -0.79 0
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230337 87570677 1 SF2N4O4H12C20 AB2C4D4E12F20 -142.65 13.12 -9.27 -2.25 0
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230339 87570680 1 O8N11C58H79 A8B11C58D79 -244.07 4.79 -8.59 -0.2 0
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230340 87570681 1 NSbO3C4H11 ABC3D4E11 -88.32 3.07 0.0 0.0 0
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230341 87570684 1 ClSF2N3O11H26C28 ABC2D3E11F26G28 -459.69 10.73 -9.51 -1.06 0
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230342 87570687 1 FNO6C20H28 ABC6D20E28 -261.94 10.67 -8.8 -0.44 0
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230343 87570688 1 N2S4C5H8 A2B4C5D8 71.79 1.49 -8.17 -1.23 0
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230344 87570689 1 N2S4C5H6 A2B4C5D6 90.93 3.93 -8.82 -1.78 0
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230345 87570690 1 NO2H11C15 AB2C11D15 -12.58 3.77 -9.5 -1.25 0
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230346 87570691 1 O2C13H24 A2B13C24 -123.92 2.19 -10.09 0.65 0
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230347 87570693 1 ClON7H14C15 ABC7D14E15 73.93 3.34 -8.96 -1.33 0
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230348 87570695 1 NO6C21H27 AB6C21D27 -189.6 4.03 -8.86 -0.65 0
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230349 87570696 1 NO6C21H27 AB6C21D27 -187.53 6.59 -9.09 -0.35 0
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230350 87570697 1 NO5C25H31 AB5C25D31 -155.23 8.05 -9.18 -0.26 0
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230351 87570699 1 NO6C20H29 AB6C20D29 -219.42 9.62 -8.8 -0.02 0
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230352 87570700 1 NO5C23H35 AB5C23D35 -195.34 0.95 -8.92 0.14 0
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230353 87570703 1 OCl2H8C9 AB2C8D9 -29.31 3.16 -8.95 -0.32 0
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230354 87570705 1 OS3N4C21H28 AB3C4D21E28 26.41 3.58 -8.5 -0.73 0
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230355 87570706 1 O2S3N4C21H28 A2B3C4D21E28 -28.42 2.63 -8.73 -0.87 0
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230356 87570709 1 FSN3O3H16C18 ABC3D3E16F18 -95.69 3.89 -9.46 -1.48 0
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230357 87570710 1 SN3O5C30H37 AB3C5D30E37 -92.81 2.16 -8.47 -0.56 0
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230358 87570713 1 ClS2O3N4C23H33 AB2C3D4E23F33 -108.51 4.17 -8.7 -0.84 0
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230359 87570714 1 ClS2O3N4C23H33 AB2C3D4E23F33 -108.52 4.2 -8.7 -0.84 0
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230360 87570717 1 FNOC14H20 ABCD14E20 -67.48 2.39 -8.93 -0.03 0
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230361 87570718 1 BrON7C16H16 ABC7D16E16 65.61 5.31 -8.95 -1.34 0
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230362 87570720 1 NSO2C10H13 ABC2D10E13 -31.72 7.52 -8.79 -0.56 0
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230363 87570722 1 N2O5C18H26 A2B5C18D26 -161.19 3.28 -9.58 -0.28 0
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230364 87570725 1 NSO8C19H27 ABC8D19E27 -296.83 8.04 -8.99 -0.38 -1
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230365 87570726 1 N2O8C18H21 A2B8C18D21 -158.33 10.79 0.0 0.0 0
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230366 87570727 2 NO4C9H11 AB4C9D11 -158.6 9.41 -10.69 -1.44 0
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230367 87570728 1 SO4C15H20 AB4C15D20 -140.15 5.46 -10.0 -0.72 0
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230368 87570732 1 NPO3C4H6 ABC3D4E6 -134.84 1.4 -10.58 -0.48 0
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230369 87570733 2 O12C35H40 A12B35C40 -509.53 7.32 -8.56 0.18 0
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230370 87570735 1 NOF6H9C15 ABC6D9E15 -300.22 3.12 -9.98 -1.1 0
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230371 87570737 1 S2F3O8C14H17 A2B3C8D14E17 -460.19 7.53 -9.94 -1.49 0
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230372 87570739 1 F2S2N3O7H25C29 A2B2C3D7E25F29 -242.5 12.03 -9.21 -1.37 0
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230376 87570749 1 ClON6H11C13 ABC6D11E13 66.86 5.67 -9.31 -1.37 0
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230377 87570750 1 NSiO2C19H29 ABC2D19E29 -115.58 6.29 -7.96 -0.24 0
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230378 87570751 1 NSiO2C19H29 ABC2D19E29 -115.74 6.88 -8.14 -0.29 0
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230379 87570752 1 FSO2N3H18C20 ABC2D3E18F20 -48.03 5.35 -8.34 -1.55 0
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230380 87570753 3 OC4H6 AB4C6 -71.3 2.43 -10.05 0.61 0
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230381 87570755 1 OSN3C24H39 ABC3D24E39 -52.61 5.41 -8.48 -0.02 0
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230382 87570756 1 NSO2C11H11 ABC2D11E11 -36.06 3.86 -8.89 -0.96 0
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230383 87570757 1 O3N6H16C17 A3B6C16D17 67.56 4.36 -8.96 -1.1 0
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230384 87570758 1 ClSO2N3C25H26 ABC2D3E25F26 -30.7 4.59 -8.36 -0.78 0
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230385 87570759 1 ON2C11H16 AB2C11D16 -26.46 4.32 -8.93 0.7 0
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230386 87570761 1 O2N6H14C15 A2B6C14D15 25.97 0.84 -8.73 -1.2 0
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230387 87570763 2 Cl2S2F3N3O3H20C22 A2B2C3D3E3F20G22 -419.67 6.97 -8.64 -1.53 0
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230388 87570764 1 ClNC8H20 ABC8D20 -70.5 5.48 -9.68 1.78 0
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230389 87570766 2 NSH15C19 ABC15D19 170.5 3.24 -8.0 -0.45 0
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230390 87570769 1 ClO2N4C12H15 AB2C4D12E15 -49.36 4.18 -9.52 -0.94 0