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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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191981 78208877 1 SO3N5C9H10 AB3C5D9E10 -52.65 3.44 0.0 0.0 0
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191982 78209129 1 SN3C15H17 AB3C15D17 58.71 10.06 -8.81 -0.5 0
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191983 78209130 1 N2O5C18H18 A2B5C18D18 -123.6 2.39 -8.89 -0.67 0
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191984 78209270 1 ON5C20H21 AB5C20D21 24.66 5.12 -8.72 -0.7 0
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191985 78209739 1 NO4C18H21 AB4C18D21 -142.96 4.01 -8.98 -0.45 0
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191986 78209862 2 NSC9H10 ABC9D10 81.13 8.83 -8.83 -1.82 0
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191987 78209863 1 SN2O4C14H16 AB2C4D14E16 -128.4 8.73 -8.75 -1.5 0
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191988 78210258 1 INOH14C18 ABCD14E18 59.36 4.63 -8.78 -1.71 0
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191989 78210321 1 OS2N3C17H19 AB2C3D17E19 4.74 3.38 -8.79 -0.83 0
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191990 78210594 1 OSN4C18H22 ABC4D18E22 15.25 3.51 -8.51 -0.78 0
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191991 78210625 1 O2N5C15H17 A2B5C15D17 -21.01 5.43 -9.76 -0.16 0
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191992 78210774 2 NOC11H12 ABC11D12 42.83 2.8 -8.38 -2.05 0
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191993 78210775 1 ON2C18H18 AB2C18D18 29.54 7.56 -8.23 -1.69 0
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191994 78211174 1 OSN3C16H19 ABC3D16E19 7.24 6.49 -9.49 -0.61 0
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191995 78211175 1 FN2O2H19C20 AB2C2D19E20 -50.37 5.31 -9.63 -1.85 0
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191996 78212215 1 ClSO2N3C13H16 ABC2D3E13F16 -79.71 4.3 -9.37 -0.51 0
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191997 78212216 1 BrOSN2C11H13 ABCD2E11F13 -22.06 4.97 -9.19 -0.5 0
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191998 78212217 1 NSO3C11H13 ABC3D11E13 -82.82 3.04 -9.07 -1.77 0
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191999 78212284 1 SO2N3C9H11 AB2C3D9E11 -7.84 9.3 -9.24 -2.31 1
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192000 78212460 1 O4N6C17H23 A4B6C17D23 -84.04 3.47 0.0 0.0 0
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192001 78212641 1 O2N5C22H25 A2B5C22D25 -9.77 5.68 -9.3 -0.09 1
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192002 78212889 1 ClO2N6C18H24 AB2C6D18E24 -22.47 6.03 0.0 0.0 0
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192003 78212954 1 ClSN4O4C17H19 ABC4D4E17F19 -112.06 3.99 -9.43 -0.85 0
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192004 78212955 1 SN4O4C16H20 AB4C4D16E20 -107.46 2.44 -9.67 -0.88 1
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192005 78212956 1 O4N5C19H26 A4B5C19D26 -115.2 4.36 0.0 0.0 0
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192006 78213190 1 N4O4H20C21 A4B4C20D21 -22.5 5.03 -8.72 -0.12 0
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192007 78213259 1 FO4N5C26H30 AB4C5D26E30 -85.04 3.85 -8.39 -0.25 1
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192008 78213304 1 FSO3N5C17H19 ABC3D5E17F19 -105.15 2.55 0.0 0.0 1
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192009 78213305 1 SO4N5C18H22 AB4C5D18E22 -101.0 4.52 0.0 0.0 1
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192010 78213386 1 FSO3N5C17H19 ABC3D5E17F19 -109.09 4.91 0.0 0.0 0
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192011 78213456 1 BrO4H17C19 AB4C17D19 -116.9 3.04 -9.15 -0.84 0
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192012 78213457 1 BrN3O5C22H22 AB3C5D22E22 -77.9 9.84 -8.83 -0.95 0
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192013 78213552 1 O3N4C25H30 A3B4C25D30 -15.82 4.36 -8.7 -0.1 1
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192014 78213673 1 N5O5C24H24 A5B5C24D24 -63.15 5.93 0.0 0.0 1
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192015 78213760 1 O2N5C23H28 A2B5C23D28 -11.76 4.67 0.0 0.0 0
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192016 78214290 1 ClO2N3C24H28 AB2C3D24E28 -67.16 7.69 -9.5 -0.37 0
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192017 78214324 1 N2O3C21H22 A2B3C21D22 -48.21 6.04 -8.99 -1.68 0
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192018 78214458 1 SO2N4C13H18 AB2C4D13E18 -64.68 4.42 -8.87 -0.64 0
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192019 78214590 1 ClSN3O3C16H22 ABC3D3E16F22 -123.07 5.09 -8.97 -0.82 0
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192020 78214591 1 SN3O4C17H23 AB3C4D17E23 -149.46 4.05 -8.91 -0.27 0
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192021 78214632 1 NO4H9C11 AB4C9D11 -91.76 4.99 -9.81 -1.61 0
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192022 78214809 1 O2N4H6C9 A2B4C6D9 38.17 6.01 -9.82 -2.74 1
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192023 78214810 1 O4N5C17H20 A4B5C17D20 -67.44 5.07 0.0 0.0 0
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192024 78215033 1 ClO2N5C13H14 AB2C5D13E14 -22.34 5.11 -9.45 -0.24 0
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192025 78215034 1 ClO2N5C15H18 AB2C5D15E18 -30.97 5.74 -9.41 -0.18 0
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192026 78215263 2 N2O2C11H12 A2B2C11D12 -36.1 2.65 -8.7 0.0 0
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192027 78215449 1 O2N5C23H27 A2B5C23D27 -9.69 5.28 -9.3 -0.02 0
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192028 78215450 1 ClO2N5C21H22 AB2C5D21E22 1.42 5.48 -9.42 -0.3 0
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192029 78215544 1 O2N5C23H23 A2B5C23D23 61.38 5.93 -9.02 -0.49 0
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192030 78215561 1 O3N4C21H24 A3B4C21D24 -34.35 9.99 -9.04 -0.82 0