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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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194995 78618279 1 BrSN3C13H16 ABC3D13E16 79.67 7.17 -8.54 -0.54 0
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194996 78618441 1 FOSN4H19C21 ABCD4E19F21 45.88 8.69 -8.29 -0.77 0
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194997 78618482 2 OSN2C7H10 ABC2D7E10 2.25 9.81 -8.55 -0.84 1
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194998 78618649 1 O3N4C11H19 A3B4C11D19 -21.38 8.04 0.0 0.0 0
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194999 78618841 1 N3O3C16H21 A3B3C16D21 -85.33 2.64 -9.0 -0.55 0
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195000 78618995 2 ON3C11H14 AB3C11D14 -22.19 2.28 -8.76 -0.1 0
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195001 78619360 1 SN6H18C20 AB6C18D20 169.53 4.95 -8.55 -0.91 0
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195002 78619418 1 FSO2N3H14C15 ABC2D3E14F15 -26.61 1.68 -8.49 -0.94 0
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195003 78619644 1 N2O4C25H32 A2B4C25D32 -159.74 3.5 -8.89 0.04 0
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195004 78619645 1 SN3O3C18H21 AB3C3D18E21 -22.76 7.78 -7.98 -0.16 0
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195005 78619646 1 SO2N4C18H18 AB2C4D18E18 38.25 5.84 -8.59 -1.08 0
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195006 78619647 1 OS2N4C17H20 AB2C4D17E20 54.52 4.19 -8.19 -0.6 -1
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195007 78619648 1 SN4O4C15H15 AB4C4D15E15 -35.82 4.32 0.0 0.0 0
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195008 78619649 1 SN4O4C15H16 AB4C4D15E16 -57.96 4.17 -8.78 -1.31 0
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195009 78620019 1 SF2N3O3C17H17 AB2C3D3E17F17 -123.93 5.55 -8.67 -1.06 0
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195010 78620092 1 OSN3C17H19 ABC3D17E19 40.48 5.52 -8.42 -0.52 0
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195011 78620093 1 ClOSN3C16H16 ABCD3E16F16 36.92 5.84 -8.65 -0.49 0
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195012 78620290 1 OSN3C16H23 ABC3D16E23 -7.88 4.55 -8.29 -0.14 0
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195013 78620364 1 SO2N5C17H17 AB2C5D17E17 59.04 4.17 -8.69 -0.94 0
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195014 78620620 1 SN3O3C18H21 AB3C3D18E21 -67.57 3.48 -8.85 -1.28 0
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195015 78622080 1 FNSO3C20H22 ABCD3E20F22 -151.87 6.76 -9.33 -1.09 0
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195016 78622081 1 NSO3C17H23 ABC3D17E23 -118.98 5.69 -9.29 -1.04 0
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195017 78622086 1 NSO4C21H21 ABC4D21E21 -131.97 3.59 -9.06 -0.9 0
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195018 78622087 1 NSO3C17H25 ABC3D17E25 -146.7 7.77 -9.31 -1.04 0
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195019 78622088 1 NSO4C18H27 ABC4D18E27 -186.6 4.7 -9.24 -0.98 0
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195020 78622089 1 FNSO3C19H20 ABCD3E19F20 -145.12 8.76 -9.32 -1.05 0
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195021 78622090 1 NSO5C22H25 ABC5D22E25 -185.5 4.23 -9.23 -0.98 0
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195022 78622335 3 NO2C7H9 AB2C7D9 -232.61 3.82 -8.8 -1.49 0
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195023 78622899 1 N3O4C21H21 A3B4C21D21 -125.65 7.42 -8.8 -1.13 0
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195024 78623422 1 OS2N5H13C14 AB2C5D13E14 106.14 6.13 -8.51 -2.2 0
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195025 78623712 1 N3O3C19H27 A3B3C19D27 -107.89 7.05 -8.88 0.27 0
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195026 78623713 1 SN3O5C18H25 AB3C5D18E25 -170.07 2.57 -9.14 -0.03 0
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195027 78624469 1 ClO2N4C13H13 AB2C4D13E13 28.72 10.93 -9.02 -1.61 0
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195028 78624575 1 ClF2O2N4H11C13 AB2C2D4E11F13 -77.37 7.07 -9.14 -1.85 0
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195029 78624978 1 O2N3C19H21 A2B3C19D21 -43.99 2.15 -8.69 -0.36 0
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195030 78624979 1 O2N3C14H19 A2B3C14D19 -73.35 4.28 -8.48 0.13 0
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195031 78624980 2 FNO3H7C9 ABC3D7E9 -249.67 2.29 -9.08 -1.37 0
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195032 78624981 1 N3O4C15H21 A3B4C15D21 -144.2 4.18 -7.61 0.15 0
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195033 78625062 1 NF2O4H17C19 AB2C4D17E19 -215.28 1.06 -9.48 -1.39 0
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195034 78625257 1 NO5C15H17 AB5C15D17 -190.19 2.52 -9.15 -0.8 0
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195035 78625258 1 NSO6C17H23 ABC6D17E23 -255.73 4.0 -8.98 -0.62 0
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195036 78625259 1 BrN2O5C14H15 AB2C5D14E15 -164.07 3.18 -9.79 -0.86 0
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195037 78625260 1 NO4C16H21 AB4C16D21 -167.49 5.47 -9.0 -0.01 0
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195038 78625374 1 NSO4C21H23 ABC4D21E23 -140.41 6.91 -8.12 -0.4 0
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195039 78625646 1 FO3N5C12H12 AB3C5D12E12 -66.89 7.61 -9.41 -0.71 0
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195040 78625985 1 N2O4H18C19 A2B4C18D19 -121.64 3.14 -8.88 -0.39 0
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195041 78626369 1 ClSO2N3H20C21 ABC2D3E20F21 -5.23 5.6 -8.41 -1.51 0
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195042 78626523 1 SN4O5H16C17 AB4C5D16E17 -10.39 7.49 -8.56 -1.7 0
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195043 78626524 1 SN4O4C18H18 AB4C4D18E18 12.52 3.39 -8.61 -1.57 0
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195044 78626525 1 SF2N4O4H16C17 AB2C4D4E16F17 -93.41 8.25 -8.99 -1.7 1