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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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24987 616265 1 NH15C17 AB15C17 67.69 2.41 -8.26 -0.15 0
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24988 616267 1 O2N5C14H19 A2B5C14D19 -15.29 0.81 -8.04 -0.32 0
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24989 616276 2 NOH7C8 ABC7D8 63.03 0.8 -8.49 -1.4 0
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24990 616277 2 NH7C8 AB7C8 69.07 1.16 -9.13 -0.89 0
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24991 616286 1 Cl3N3O3H8C13 A3B3C3D8E13 -12.23 2.63 -9.29 -2.26 0
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24992 616319 1 O2N3H15C18 A2B3C15D18 9.39 3.67 -8.92 -1.44 0
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24993 616334 1 O5C26H30 A5B26C30 -156.95 3.36 -8.47 -0.73 0
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24994 616428 1 NOH15C17 ABC15D17 24.47 3.99 -9.34 -0.55 0
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24995 616450 18 CH AB 17.93 1.07 -8.7 0.43 0
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24996 616465 1 SO4N5C16H23 AB4C5D16E23 -115.15 3.91 -8.54 -0.36 0
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24997 616466 1 ION3H8C14 ABC3D8E14 114.38 4.98 -9.21 -1.64 0
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24998 616468 1 SN3O3C19H21 AB3C3D19E21 -50.48 3.87 -8.45 -0.39 0
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24999 616469 2 N2H5C7 A2B5C7 99.83 5.85 -8.68 -0.81 0
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25000 616470 1 O6C17H18 A6B17C18 -221.47 4.21 -8.49 -0.37 0
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25001 616471 1 O2S2H6C11 A2B2C6D11 -21.94 6.2 -9.04 -1.46 0
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25002 616473 1 OH14C17 AB14C17 38.37 1.36 -8.66 -0.38 0
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25003 616474 18 CH AB 53.12 0.09 -8.36 -0.42 0
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25004 616476 2 NH7C8 AB7C8 80.4 4.54 -8.49 -0.17 0
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25005 616505 1 ClPSN2O4C17H22 ABCD2E4F17G22 -214.09 5.55 -9.24 -1.02 0
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25006 616509 1 NO3C15H21 AB3C15D21 -148.08 6.42 -8.48 -0.36 0
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25007 616515 4 OC4H5 AB4C5 -182.11 5.05 -8.97 -0.2 0
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25008 616573 1 N3H13C15 A3B13C15 82.03 4.92 -8.79 -0.59 0
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25009 616631 1 NO3C13H17 AB3C13D17 -85.21 4.7 -8.74 -0.06 0
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25010 616634 1 NCl2Si2O5C22H37 AB2C2D5E22F37 -373.87 3.16 -8.88 -0.85 0
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25011 616635 1 BrO3H15C17 AB3C15D17 -73.9 0.88 -9.41 -1.29 0
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25012 616650 1 N2O3H14C17 A2B3C14D17 -63.01 3.5 -9.11 -0.99 0
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25013 616656 2 Cl2H9C13 A2B9C13 53.54 5.48 -9.51 -0.33 0
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25014 616657 1 OCl2C18H18 AB2C18D18 -30.38 4.75 -9.34 -0.35 0
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25016 616659 1 NSCl2C9H11 ABC2D9E11 -3.16 1.81 -8.92 -0.77 0
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25017 616660 1 ClION4C10H10 ABCD4E10F10 49.6 4.27 -9.24 -1.08 0
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25018 616662 1 BrNO2C12H12 ABC2D12E12 -60.29 3.09 -8.84 -0.84 0
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25019 616678 1 N4H16C17 A4B16C17 103.02 10.66 -8.52 -0.79 0
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25020 616715 2 OH6C8 AB6C8 30.48 3.55 -9.24 -0.9 0
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25022 616902 1 NiP2C19H40 AB2C19D40 52.17 2.9 -8.06 0.88 0
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25023 616903 1 C5H8 A5B8 44.75 0.46 -10.1 1.01 -2
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25024 616904 1 NiP2C17H38 AB2C17D38 39.5 3.13 -6.19 -1.18 0
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25025 616906 1 N2O4H10C15 A2B4C10D15 12.63 4.36 -9.04 -1.82 0
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25026 616952 1 ON2C19H22 AB2C19D22 2.88 2.28 -8.12 -0.28 0
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25027 617010 1 NS3H7C10 AB3C7D10 77.05 6.15 -8.41 -1.8 0
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25028 617280 4 OH3C4 AB3C4 -95.35 3.78 -9.48 -1.62 0
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25029 617286 1 NO2C17H17 AB2C17D17 -28.11 1.34 -8.59 -0.56 0
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25030 617292 1 ON2C19H22 AB2C19D22 -21.29 7.5 -9.08 -0.77 0
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25031 617297 1 N2O2C19H20 A2B2C19D20 -60.18 2.75 -8.73 -0.49 0
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25032 617305 1 O2N5H15C19 A2B5C15D19 72.95 4.63 -8.95 -0.99 0
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25033 617319 2 O2C24H47 A2B24C47 -388.42 2.38 -10.26 0.7 0
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25034 617477 1 FO3C21H29 AB3C21D29 -207.48 3.37 -9.62 0.3 0
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25035 617478 1 NO5C16H19 AB5C16D19 -68.47 5.19 -8.62 -0.55 0
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25036 617485 1 NO3C19H23 AB3C19D23 -68.52 4.56 -8.08 0.32 0
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25037 617486 1 OSN3C17H21 ABC3D17E21 10.73 3.25 -8.67 -0.42 0
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25038 617487 1 SCl2N2C11H12 AB2C2D11E12 26.26 1.2 -8.9 -0.36 0
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25039 617488 1 OCl2N2H8C15 AB2C2D8E15 46.24 3.39 -9.7 -1.54 0
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25041 617580 1 N2O3H8C13 A2B3C8D13 -59.49 9.93 -9.86 -2.07 0
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25042 617581 1 SN3H19C23 AB3C19D23 101.89 4.44 -8.15 -0.55 0
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25043 617590 1 ClN2O2C11H13 AB2C2D11E13 -41.09 4.68 -8.79 -0.31 0
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25044 617697 1 NPSi2O4C11H28 ABC2D4E11F28 -448.96 4.81 -9.04 -0.41 0
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25045 617709 1 O2N4C17H22 A2B4C17D22 -64.26 5.46 -7.88 0.22 0
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25046 617730 1 N3O4H9C14 A3B4C9D14 0.48 2.75 -9.63 -2.05 0
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25047 617731 1 OC18H24 AB18C24 -66.71 3.21 -8.81 0.17 0
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25048 617796 1 NO2C15H15 AB2C15D15 -48.7 3.94 -9.0 -0.29 0
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25049 617797 1 ClNOH8C14 ABCD8E14 38.2 3.66 -9.23 -1.94 0
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25050 617806 1 NO3H11C14 AB3C11D14 9.45 8.35 -9.16 -1.4 0
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25051 617815 1 O2N3H11C13 A2B3C11D13 -10.14 6.38 -9.16 -0.55 0
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25052 617846 1 O2N3C17H19 A2B3C17D19 -3.38 8.94 -8.63 -1.42 0
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25053 617927 1 CN2P2S2F4 AB2C2D2E4 -308.21 5.35 -9.76 -1.5 0
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25054 618139 1 OSiC22H48 ABC22D48 -191.72 1.42 -9.17 1.46 0
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25055 618221 1 OC30H32 AB30C32 56.37 3.13 -9.24 0.04 0
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25056 618228 2 NO3H13C15 AB3C13D15 -120.95 8.49 -9.53 -0.54 0
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25057 618239 1 C25H26 A25B26 59.39 0.47 -9.14 0.27 0
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25058 618246 1 N2H20C23 A2B20C23 111.68 4.79 -8.89 -0.26 0
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25059 618252 1 IN2H17C22 AB2C17D22 140.49 5.98 -9.02 -0.7 0
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25060 618254 1 N2H20C23 A2B20C23 111.07 4.31 -8.81 -0.2 0
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25061 618279 1 SN3O4H7C12 AB3C4D7E12 19.17 1.61 -9.38 -2.11 0
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25062 618286 1 CrP2C15H31 AB2C15D31 146.48 1.9 0.0 0.0 -7
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25063 618290 1 O5C16H16 A5B16C16 -81.67 3.64 -8.94 -0.97 0
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25064 618291 1 NO3C16H17 AB3C16D17 -77.84 2.58 -8.71 -0.23 0
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25065 618292 1 NO2C15H17 AB2C15D17 -38.6 1.52 -8.98 -0.91 0
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25066 618316 1 NH13C18 AB13C18 73.4 2.43 -8.7 -1.08 0
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25067 618323 1 N2O3C29H34 A2B3C29D34 -57.94 6.67 -9.28 -1.36 0
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25068 618324 1 N2O3C30H36 A2B3C30D36 -61.52 6.51 -9.57 -1.42 0
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25069 618409 1 ON2C15H20 AB2C15D20 -26.9 0.35 -8.7 0.24 0
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25070 618441 1 IN2H5C7 AB2C5D7 80.42 5.21 -8.64 -1.16 0
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25071 618451 1 O3C15H16 A3B15C16 -75.67 1.66 -8.24 0.06 0
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25072 618470 2 NOC7H8 ABC7D8 -41.54 5.75 -9.04 -1.0 0
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25073 618471 1 N2O3H12C13 A2B3C12D13 -68.14 4.85 -8.63 -0.86 0
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25074 618472 1 SN2C14H16 AB2C14D16 35.55 0.69 -8.52 -0.31 0
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25075 618554 1 O3C20H26 A3B20C26 -121.4 4.73 -8.57 -0.92 0
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25076 618556 1 O2S2N3C14H17 A2B2C3D14E17 -21.69 4.68 -8.45 -0.4 0
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25078 618558 1 BrON2Cl4H5C12 ABC2D4E5F12 -1.45 2.91 -9.35 -1.8 0
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25079 618559 1 NSiO2C22H31 ABC2D22E31 -89.02 0.48 -8.73 0.24 0
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25080 618776 2 NO2H5C6 AB2C5D6 -32.0 9.52 -9.05 -1.32 0
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25081 618781 1 NPF3O5C9H15 ABC3D5E9F15 -388.43 9.39 -10.33 0.11 0
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25082 618785 1 N2C25H30 A2B25C30 45.44 1.52 -9.47 -0.78 0
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25083 618798 1 NO3C18H23 AB3C18D23 -113.02 3.67 -8.75 0.04 0
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25084 618830 2 NOC7H9 ABC7D9 -52.61 7.03 -9.49 -0.66 0
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25085 618846 2 FO3H11C14 AB3C11D14 -234.14 5.31 -9.72 -0.62 0
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25086 618847 2 O2C7H7 A2B7C7 -120.28 4.81 -8.7 -0.51 0
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25087 618893 1 NO2Cl3C10H10 AB2C3D10E10 -54.07 3.56 -10.23 -1.27 0
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25089 618936 1 N3O3C12H13 A3B3C12D13 -59.19 4.89 -8.56 -0.21 0
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25090 618937 1 NS2O3H19C21 AB2C3D19E21 -62.45 3.92 -8.85 -0.88 0
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25091 618938 1 O7H12C14 A7B12C14 -212.64 5.14 -9.14 -1.94 0