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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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395696 135026275 2 NOCl2H8C9 ABC2D8E9 -46.78 4.66 -9.36 -1.25 0
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395697 135026276 2 NOCl2H8C9 ABC2D8E9 -47.1 5.24 -9.21 -0.88 0
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395698 135026279 2 O2C11H11 A2B11C11 -78.57 3.74 -8.28 -0.25 0
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395700 135026281 4 O2C5H8 A2B5C8 -337.35 3.27 -9.52 0.08 -1
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395702 135026283 1 NSO3C11H21 ABC3D11E21 -135.1 4.37 -8.45 -0.06 0
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395703 135026284 2 O2F5H12C28 A2B5C12D28 -311.98 0.63 -8.6 -1.33 0
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395704 135026286 1 N2F3H7C12 A2B3C7D12 -52.29 2.17 -9.4 -1.43 0
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395705 135026287 1 SiO3C17H24 AB3C17D24 -128.03 1.4 -8.97 -0.92 0
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395706 135026288 1 SiO4C22H32 AB4C22D32 -192.64 3.56 -8.62 -0.97 0
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395707 135026289 1 NSO2H13C16 ABC2D13E16 -30.24 1.26 -8.49 -0.53 0
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395708 135026290 2 ON3C7H10 AB3C7D10 12.62 7.03 -9.59 -0.35 0
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395709 135026291 1 O2N6C19H22 A2B6C19D22 45.2 7.4 -9.58 -0.46 0
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395710 135026292 2 O4H11C24 A4B11C24 8.57 1.38 -9.49 -2.49 0
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395711 135026296 1 NOH23C27 ABC23D27 54.19 4.26 -8.75 -0.35 0
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395712 135026299 1 O3C20H28 A3B20C28 -104.16 3.67 -8.33 -0.3 0
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395713 135026300 1 OBr2C16H18 AB2C16D18 -17.39 3.94 -9.29 -0.82 0
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395714 135026303 1 ON2C19H22 AB2C19D22 2.44 4.79 -8.54 -0.5 0
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395715 135026317 1 O3C10H16 A3B10C16 -92.58 4.81 -9.68 0.68 0
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395716 135026318 1 ClNH14C15 ABC14D15 33.75 3.22 -7.99 -0.17 0
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395717 135026325 1 N2F3H11C19 A2B3C11D19 -53.13 6.41 -9.61 -1.4 0
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395718 135026328 1 O3N7C24H31 A3B7C24D31 -15.15 5.89 -9.49 -0.19 -1
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395719 135026336 1 PN5O15C27H43 AB5C15D27E43 -553.17 17.07 0.0 0.0 0
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395720 135026337 1 PN5O15C27H44 AB5C15D27E44 -581.29 19.8 -9.2 -1.84 0
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395721 135026339 1 KO2H9C17 AB2C9D17 -51.21 13.18 -8.55 -1.21 0
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395722 135026341 1 NSO4C17H27 ABC4D17E27 -182.02 5.25 -9.07 -0.85 0
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395723 135026351 2 N2O2C11H14 A2B2C11D14 -110.75 2.37 -8.57 -0.47 0
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395724 135026353 1 N4O5C26H30 A4B5C26D30 -139.12 1.81 -8.54 -0.4 0
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395725 135026355 1 SiN4O5C29H46 AB4C5D29E46 -254.38 2.5 -8.74 -0.51 0
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395726 135026358 1 SO3N4C26H26 AB3C4D26E26 40.66 8.7 -8.1 -1.53 0
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395727 135026360 1 SO2N3C29H39 AB2C3D29E39 -74.58 7.9 -8.31 -0.14 0
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395728 135026369 2 N2O2C11H12 A2B2C11D12 -49.12 2.59 -9.05 -0.67 0
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395729 135026371 1 NC20H21 AB20C21 45.42 1.41 -8.12 -0.21 0
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395730 135026375 1 NO2C24H27 AB2C24D27 -40.72 3.88 -8.12 0.03 0
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395731 135026376 1 O5C22H32 A5B22C32 -228.61 4.63 -8.48 0.0 0
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395732 135026381 1 OC14H16 AB14C16 -3.06 2.21 -9.2 0.36 0
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395733 135026388 1 O2N3C23H23 A2B3C23D23 8.82 3.63 -9.29 -0.05 -1
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395735 135026398 1 NSSiO3C24H39 ABCD3E24F39 -167.28 4.54 -8.83 -0.42 0
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395736 135026403 1 NOH19C25 ABC19D25 194.45 4.2 -8.94 -0.29 0
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395737 135026404 1 BrH15C22 AB15C22 139.29 1.46 -8.85 -0.58 0
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395738 135026416 1 O2H14C19 A2B14C19 38.52 5.68 -9.74 -0.24 0
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395739 135026418 1 NC17H23 AB17C23 37.18 1.66 -8.53 0.02 0
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395740 135026424 2 FNOH5C7 ABCD5E7 -112.55 4.74 -8.5 -1.23 0
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395741 135026429 1 O3N4C31H32 A3B4C31D32 29.75 5.5 -8.21 -0.87 0
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395742 135026431 1 O2N4C29H30 A2B4C29D30 82.58 5.36 -8.16 -0.87 0
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395743 135026444 1 ClSN2F3O4C22H28 ABC2D3E4F22G28 -337.05 5.43 -8.78 -0.92 0
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395744 135026445 1 NO6C27H27 AB6C27D27 -205.93 5.58 -9.46 -1.12 0
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395745 135026446 14 CH AB 38.27 1.24 -8.43 -0.36 0
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395746 135026448 2 OH7C11 AB7C11 25.76 1.33 -9.5 -0.88 0
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395747 135026449 1 NSO2H11C17 ABC2D11E17 30.31 2.2 -8.85 -1.21 0
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395748 135026450 1 NPPdC16H16 ABCD16E16 152.21 2.94 -7.57 -0.29 0
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395749 135026452 1 NOH19C25 ABC19D25 113.78 4.02 -8.89 -0.55 -3
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395751 135026454 1 BrO2H17C19 AB2C17D19 -18.02 1.38 -9.53 -0.61 0
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395752 135026455 1 N3O4C19H29 A3B4C19D29 -139.36 7.12 -9.09 -1.36 0
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395753 135026456 1 PSN2O5C27H29 ABC2D5E27F29 -190.6 7.07 -8.11 -0.62 0
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395754 135026457 1 PO3C22H41 AB3C22D41 -227.19 4.18 -9.24 0.15 0
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395755 135026458 1 O9C43H72 A9B43C72 -438.55 6.27 -9.04 0.3 0
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395756 135026461 1 O5C17H28 A5B17C28 -239.05 3.16 -9.24 0.25 4
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395757 135026467 1 FeO2P4C43H48 AB2C4D43E48 69.36 7.67 -6.06 -0.62 0
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395758 135026469 1 N2O3C25H28 A2B3C25D28 -73.68 1.29 -8.35 -0.09 0
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395759 135026472 1 ON2C23H30 AB2C23D30 -15.19 2.73 -8.61 -0.45 0
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395760 135026473 1 ON2C23H30 AB2C23D30 1.6 5.81 -8.22 -0.81 0
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395761 135026474 1 ON3C11H13 AB3C11D13 39.65 3.44 -9.45 -0.45 1
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395762 135026475 1 ON3C11H14 AB3C11D14 42.45 6.98 0.0 0.0 0
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395763 135026476 1 N4O4C31H44 A4B4C31D44 -86.53 5.72 -9.23 0.17 0
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395764 135026478 1 NSiO4C39H45 ABC4D39E45 -66.38 4.26 -9.36 0.14 0
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395765 135026479 1 NO3C29H35 AB3C29D35 -67.1 1.86 -9.11 0.1 0
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395766 135026480 1 NO3C29H35 AB3C29D35 -66.74 1.12 -9.08 0.21 0
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395767 135026481 1 N3O3C22H23 A3B3C22D23 -46.0 6.51 -8.72 0.06 0
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395768 135026482 2 NH7C8 AB7C8 85.33 2.31 -7.73 -0.57 0
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395769 135026484 1 BrN3H14C21 AB3C14D21 153.68 6.08 -9.32 -0.94 0
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395770 135026485 1 O3N4C24H32 A3B4C24D32 -96.79 4.61 -8.45 -0.86 0
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395771 135026486 1 O3N4C19H26 A3B4C19D26 -108.44 5.16 -8.35 -0.6 0
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395772 135026487 1 FON3H12C16 ABC3D12E16 71.05 8.33 -7.57 -1.87 0
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395773 135026489 1 N2O2H16C21 A2B2C16D21 38.47 2.23 -8.29 -1.37 0
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395774 135026490 1 NO6C27H29 AB6C27D29 -154.24 5.77 -8.48 -0.29 0