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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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217300 85087580 5 OC4H6 AB4C6 -248.74 8.26 -9.94 -0.26 0
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217301 85087581 1 SN2O3C18H26 AB2C3D18E26 -115.92 5.92 -8.71 0.33 0
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217302 85087582 1 SO3C20H30 AB3C20D30 -160.15 5.68 -8.85 0.36 0
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217303 85087583 1 O3C22H38 A3B22C38 -198.8 4.51 -9.48 0.98 0
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217304 85087584 1 SiO3C20H34 AB3C20D34 -177.09 2.79 -8.65 -0.01 0
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217305 85087585 1 SiO3C20H34 AB3C20D34 -203.62 1.96 -8.96 0.2 0
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217306 85087588 1 BrClNOH13C16 ABCDE13F16 -3.95 3.95 -9.31 -1.01 0
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217307 85087592 1 NO8C16H17 AB8C16D17 -246.32 4.06 -10.91 -1.98 0
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217308 85087594 1 NO6H13C19 AB6C13D19 -154.56 6.4 -9.72 -1.99 0
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217309 85087596 1 N3O5C17H25 A3B5C17D25 -206.62 4.42 -9.15 -0.16 0
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217310 85087597 1 NO2C24H25 AB2C24D25 -13.69 4.51 -9.2 -0.29 0
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217311 85087599 1 NO3C22H25 AB3C22D25 -77.17 4.9 -9.48 -0.24 0
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217312 85087601 1 NO2C23H29 AB2C23D29 -65.94 1.4 -8.82 -1.3 0
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217313 85087602 1 NS2O3C17H21 AB2C3D17E21 -64.93 3.09 -8.39 -0.42 0
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217314 85087603 1 NOSC22H25 ABCD22E25 22.81 2.02 -8.55 -0.42 0
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217315 85087604 1 IO5C11H13 AB5C11D13 -173.06 5.35 -9.98 -1.42 0
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217316 85087605 1 BrOSN3C14H14 ABCD3E14F14 19.33 1.88 -9.38 -1.3 0
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217317 85087606 1 BrNOSC16H22 ABCDE16F22 -52.51 8.16 -8.85 -0.44 0
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217318 85087610 1 OF2N4H18C19 AB2C4D18E19 -55.41 2.84 -9.4 -0.54 0
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217319 85087614 1 N2O3C21H24 A2B3C21D24 -87.31 3.35 -9.49 -0.19 0
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217320 85087615 1 N2O3C21H24 A2B3C21D24 -84.64 1.83 -8.65 -0.09 0
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217321 85087616 1 O3C23H28 A3B23C28 -61.09 4.25 -8.69 -0.95 0
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217322 85087617 2 OC12H16 AB12C16 -90.85 6.21 -8.98 -0.18 0
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217323 85087619 1 BrNCl2O3H8C11 ABC2D3E8F11 -93.92 3.88 -9.73 -1.4 0
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217324 85087620 1 ION5C11H12 ABC5D11E12 95.89 4.36 -9.49 -1.01 0
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217325 85087623 1 NO10C13H23 AB10C13D23 -449.79 1.63 -10.03 -0.28 1
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217326 85087624 1 N5O6C14H20 A5B6C14D20 -129.91 4.55 0.0 0.0 0
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217327 85087626 1 NO4C21H23 AB4C21D23 -147.96 7.78 -9.51 -0.13 0
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217328 85087627 1 NO2H19C24 AB2C19D24 -0.17 4.41 -9.13 -0.34 0
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217329 85087629 1 N3O3C20H23 A3B3C20D23 -73.52 5.44 -9.44 -0.84 0
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217330 85087630 1 O3N7C15H27 A3B7C15D27 -67.64 2.57 -9.64 -0.41 2
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217331 85087631 1 FINOZnH5C9 ABCDEF5G9 -9.06 3.84 -7.68 -1.61 0
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217332 85087632 1 SN3O4C16H23 AB3C4D16E23 -105.92 11.53 -9.36 -1.18 0
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217333 85087636 1 ON3C22H31 AB3C22D31 -35.32 4.01 -8.85 0.08 0
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217334 85087637 1 NOSC22H27 ABCD22E27 -22.26 3.58 -8.64 -0.38 0
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217335 85087639 1 ClNF3O5H11C13 ABC3D5E11F13 -345.37 2.54 -10.02 -1.2 0
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217336 85087641 1 ClNSiO2C18H28 ABCD2E18F28 -123.2 2.5 -8.93 -0.45 0
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217337 85087642 1 BSO3F4C14H19 ABC3D4E14F19 -448.12 16.32 -10.98 -1.76 0
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217339 85087650 2 N2O2C9H9 A2B2C9D9 -10.04 1.41 -8.75 -1.99 0
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217340 85087654 1 O3N4C19H24 A3B4C19D24 -47.36 2.62 -8.87 -0.27 0
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217341 85087655 1 S2O7C13H22 A2B7C13D22 -316.38 9.4 -10.46 -0.06 0
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217342 85087656 1 O2H22C25 A2B22C25 -9.76 0.33 -8.75 -0.52 0
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217343 85087658 1 O3C23H30 A3B23C30 -56.6 2.75 -8.15 -0.51 0
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217344 85087659 2 NOC11H15 ABC11D15 -2.97 3.09 -8.54 -0.15 0
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217345 85087660 1 SiO4C19H34 AB4C19D34 -212.84 2.66 -9.13 0.56 0
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217346 85087661 1 SiO2C22H30 AB2C22D30 -104.58 1.97 -9.12 -0.06 0
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217347 85087665 1 O4N5C17H17 A4B5C17D17 -72.79 3.43 -8.97 -0.79 0
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217348 85087666 1 NO7C17H25 AB7C17D25 -299.84 7.45 -9.58 -0.73 0
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217349 85087667 1 O2N3H17C22 A2B3C17D22 68.61 3.03 -9.01 -1.1 0
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217350 85087669 1 NO4C21H25 AB4C21D25 -87.63 2.86 -9.41 -0.2 0
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217351 85087670 1 NO4C21H25 AB4C21D25 -109.43 7.5 -8.56 -0.51 0
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217352 85087671 1 N3O3C20H23 A3B3C20D23 -87.04 4.92 -9.69 -1.26 0
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217353 85087673 1 NO3C22H29 AB3C22D29 -116.81 4.12 -9.61 -0.22 0
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217354 85087674 1 NO3C22H29 AB3C22D29 -115.91 7.17 -9.46 -0.69 0
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217355 85087675 1 NO3C22H29 AB3C22D29 -6.36 6.98 -5.62 -2.11 0
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217356 85087677 1 NO4C20H37 AB4C20D37 -257.68 2.86 -9.65 0.69 0
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217357 85087678 1 NO2C23H33 AB2C23D33 -97.3 5.65 -8.46 -0.24 0
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217358 85087681 1 O3F5C16H17 A3B5C16D17 -343.82 4.43 -10.17 -1.36 0
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217359 85087690 1 SO2N4C18H28 AB2C4D18E28 -32.59 6.63 -8.4 -0.23 0
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217360 85087692 1 N2O3C21H28 A2B3C21D28 -62.11 1.61 -9.63 -0.37 0
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217361 85087693 1 OS2N4C16H28 AB2C4D16E28 -31.72 7.08 -8.09 0.32 0
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217362 85087694 1 SSiO2C19H36 ABC2D19E36 -147.99 1.62 -8.74 0.13 0
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217363 85087696 1 ClN2O4C17H25 AB2C4D17E25 -183.43 3.32 -9.0 -0.84 0
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217364 85087697 1 NOF6H9C17 ABC6D9E17 -274.92 4.2 -9.4 -1.47 0
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217365 85087698 1 BrN2C19H21 AB2C19D21 39.66 1.16 -8.43 -0.12 0
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217366 85087703 1 N3O6C16H27 A3B6C16D27 -265.01 4.46 -8.81 -0.08 0
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217367 85087704 1 NO3H19C23 AB3C19D23 -23.0 3.69 -9.04 -1.09 0
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217368 85087705 1 N3O4C19H33 A3B4C19D33 -207.74 6.59 -9.25 0.12 0
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217369 85087708 1 NO4C21H27 AB4C21D27 -179.24 4.41 -9.15 0.16 0
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217370 85087709 1 ON7C18H31 AB7C18D31 34.08 4.16 -8.66 0.2 0
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217371 85087710 1 NSO3C20H23 ABC3D20E23 -63.76 4.16 -8.81 0.08 0
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217372 85087711 1 OSN5C18H23 ABC5D18E23 16.02 3.39 -8.89 -0.78 0
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217373 85087714 1 NSiO4C18H35 ABC4D18E35 -254.92 2.51 -8.96 0.51 0
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217374 85087715 1 NSiO4C18H35 ABC4D18E35 -217.83 5.39 -8.82 0.35 0
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217375 85087719 2 O3C10H11 A3B10C11 -208.32 2.73 -8.45 -0.1 0