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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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41503 8146001 1 N3O4C22H29 A3B4C22D29 -170.48 3.9 -9.08 -0.05 0
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41504 8146003 1 ClO2N3C10H10 AB2C3D10E10 -27.98 1.62 -9.57 -0.83 1
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41505 8146004 1 N3O4C22H30 A3B4C22D30 -150.29 4.13 0.0 0.0 0
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41506 8146005 1 N3O4C22H29 A3B4C22D29 -171.44 2.17 -8.96 0.02 0
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41507 8146031 1 FON2H19C28 ABC2D19E28 48.78 3.46 -8.41 -1.1 0
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41508 8146033 1 N2O7C18H30 A2B7C18D30 -329.22 4.69 -9.13 0.2 1
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41509 8146037 1 O2S2N4C19H27 A2B2C4D19E27 -39.6 14.77 0.0 0.0 0
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41510 8146038 1 O2S2N4C19H26 A2B2C4D19E26 -28.01 4.8 -8.29 -0.9 0
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41511 8146039 1 ClS2N3H10C14 AB2C3D10E14 105.24 1.71 -8.32 -1.8 0
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41512 8146046 1 ClN2O4C17H19 AB2C4D17E19 -137.21 4.37 -9.21 -1.59 -1
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41513 8146047 1 ON7C12H14 AB7C12D14 129.04 14.13 0.0 0.0 0
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41514 8146057 1 ClON5H10C15 ABC5D10E15 88.23 3.72 -9.68 -1.24 0
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41515 8146058 1 NCl2O2S2H11C18 AB2C2D2E11F18 -3.77 4.67 -9.13 -1.49 0
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41516 8146060 1 O2S2N4C19H26 A2B2C4D19E26 -30.68 5.37 -8.26 -0.93 0
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41517 8146061 1 ClOSF2N2H9C15 ABCD2E2F9G15 -73.55 4.24 -9.57 -1.27 1
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41518 8146074 1 O2S2N4C20H29 A2B2C4D20E29 -40.13 12.12 0.0 0.0 0
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41519 8146078 1 OF2N2S3H12C18 AB2C2D3E12F18 -46.57 2.25 -8.75 -1.3 1
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41520 8146083 1 SN3O5C19H26 AB3C5D19E26 -121.18 9.39 0.0 0.0 1
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41521 8146093 1 S2O3N4C18H25 A2B3C4D18E25 -58.95 13.9 0.0 0.0 0
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41522 8146114 1 SO2N4C19H26 AB2C4D19E26 -37.63 4.3 -8.18 -0.23 0
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41523 8146119 1 FON3H18C19 ABC3D18E19 2.96 5.56 -9.22 -0.6 0
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41524 8146124 1 S2O3N4C18H24 A2B3C4D18E24 -51.59 4.45 -8.23 -0.94 0
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41525 8146137 1 O2N3C19H21 A2B3C19D21 -30.48 3.8 -9.03 -0.24 0
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41526 8146144 1 SO2N4C20H24 AB2C4D20E24 -17.74 4.45 -8.22 -0.97 0
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41527 8146147 1 SO2N4C20H24 AB2C4D20E24 -16.62 2.61 -8.19 -0.94 1