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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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193994 78465008 1 N2O3C18H29 A2B3C18D29 -115.16 8.71 0.0 0.0 1
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193995 78465009 1 NO2C17H18 AB2C17D18 13.15 3.91 0.0 0.0 1
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193996 78465010 1 ClNO2C14H21 ABC2D14E21 -67.01 8.44 0.0 0.0 1
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193997 78465201 1 FS2N4C20H24 AB2C4D20E24 66.43 4.4 0.0 0.0 1
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193998 78465969 1 OSN6C21H31 ABC6D21E31 42.5 6.01 0.0 0.0 0
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193999 78466135 1 NO5C24H29 AB5C24D29 -155.73 2.29 -8.39 -0.61 0
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194000 78467101 2 NO3C10H11 AB3C10D11 -142.46 7.01 -9.3 -1.46 -1
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194001 78467224 1 NO4C21H22 AB4C21D22 -132.6 2.46 0.0 0.0 2
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194002 78468071 1 N5O5C19H23 A5B5C19D23 -62.66 4.89 -7.59 -0.85 1
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194003 78468072 1 FN2O4C21H22 AB2C4D21E22 -160.34 9.85 0.0 0.0 1
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194004 78468073 1 O2N5C20H24 A2B5C20D24 -27.1 3.9 0.0 0.0 1
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194005 78468234 1 OS2N3C15H18 AB2C3D15E18 34.07 2.61 0.0 0.0 1
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194006 78468235 1 SO2N3C17H20 AB2C3D17E20 23.22 21.97 0.0 0.0 1
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194007 78468278 1 OS2N3C16H20 AB2C3D16E20 23.41 3.21 0.0 0.0 1
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194008 78468279 1 SO2N3C22H24 AB2C3D22E24 18.82 25.53 0.0 0.0 1
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194009 78468280 1 SN3O3C20H26 AB3C3D20E26 -53.15 2.93 0.0 0.0 0
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194010 78468417 1 NO4C23H27 AB4C23D27 -149.82 2.5 -9.06 -0.7 0
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194011 78468418 1 ClSO3N4H15C18 ABC3D4E15F18 10.88 7.63 -9.52 -1.56 1
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194012 78468419 1 SO3N5C20H24 AB3C5D20E24 -71.74 2.22 0.0 0.0 0
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194013 78468420 1 OSN3C22H25 ABC3D22E25 3.22 3.08 -9.19 -1.12 0
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194014 78468421 1 OSN3C18H23 ABC3D18E23 -19.15 2.97 -8.95 -0.98 1
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194015 78468624 1 N2O4C18H27 A2B4C18D27 -144.05 5.38 0.0 0.0 1
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194016 78469049 1 N2O4C23H25 A2B4C23D25 -93.17 3.33 0.0 0.0 0
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194017 78469270 1 SN3O6C16H21 AB3C6D16E21 -132.31 3.08 -9.88 -1.74 0
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194018 78469339 1 NSO3C21H25 ABC3D21E25 -100.9 2.7 -9.08 -0.8 0
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194019 78469340 1 FNSO3H16C17 ABCD3E16F17 -131.17 7.13 -8.97 -1.25 0
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194020 78469341 1 ClNSO3C18H18 ABCD3E18F18 -95.58 6.19 -9.37 -1.13 0
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194021 78469342 1 ClNSO3C18H18 ABCD3E18F18 -96.14 6.64 -9.31 -1.06 1
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194022 78469862 1 ClFO2N3C21H22 ABC2D3E21F22 -78.84 8.27 0.0 0.0 1
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194023 78469873 1 NO4C20H24 AB4C20D24 -108.34 5.15 0.0 0.0 -1
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194024 78470439 1 ClSN2O5H12C15 ABC2D5E12F15 -43.94 4.07 0.0 0.0 0
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194025 78471269 1 NO5C19H23 AB5C19D23 -183.12 3.77 -8.8 -0.73 1
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194026 78471280 1 ClN2O2C25H28 AB2C2D25E28 6.1 1.55 0.0 0.0 1
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194027 78471281 1 N2O2C27H33 A2B2C27D33 4.79 1.45 0.0 0.0 0
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194028 78471416 1 NO2C20H21 AB2C20D21 38.2 5.11 -8.78 -1.06 -1
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194029 78471984 1 N2O4C17H17 A2B4C17D17 -83.25 4.61 0.0 0.0 -1
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194030 78471985 1 INSO4H7C12 ABCD4E7F12 -81.68 2.69 0.0 0.0 -1
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194031 78471986 1 N2O4H21C23 A2B4C21D23 -67.19 4.8 0.0 0.0 -1
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194032 78472058 1 N2O6H15C20 A2B6C15D20 -102.37 5.94 0.0 0.0 2
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194033 78472308 2 NC11H15 AB11C15 86.65 2.25 -8.86 -0.05 1
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194034 78472358 1 N2O2C27H31 A2B2C27D31 -3.46 8.95 0.0 0.0 1
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194035 78472359 1 OSN2C20H31 ABC2D20E31 -29.59 8.28 0.0 0.0 1
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194036 78472360 1 N2O3C24H33 A2B3C24D33 -88.04 4.53 0.0 0.0 1
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194037 78472362 1 ON2C20H31 AB2C20D31 -36.61 8.11 0.0 0.0 0
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194038 78472515 1 N3O4H11C12 A3B4C11D12 6.71 8.94 -9.28 -1.75 1
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194039 78472743 1 O4N5C21H24 A4B5C21D24 -31.05 8.13 0.0 0.0 2
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194041 78472745 1 N2O2C11H26 A2B2C11D26 -102.51 5.12 -8.82 1.34 -1
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194042 78472746 1 SO3N4H9C14 AB3C4D9E14 90.86 8.42 0.0 0.0 -1
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194043 78472747 1 N4O4C14H17 A4B4C14D17 -88.75 4.39 0.0 0.0 -1
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194044 78472748 1 O3N4C15H15 A3B4C15D15 -11.15 2.47 0.0 0.0 0