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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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135512 51883234 1 SN2O3F4C19H20 AB2C3D4E19F20 -269.92 2.12 -9.41 -1.38 0
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135513 51883235 1 SN2O3F4C19H20 AB2C3D4E19F20 -270.5 3.16 -9.43 -1.35 0
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135514 51883285 1 SN4O4H18C19 AB4C4D18E19 -52.36 5.15 -8.89 -0.83 0
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135515 51883489 1 Cl2N2O4H16C19 A2B2C4D16E19 -125.27 2.84 -8.96 -0.62 0
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135516 51883490 1 Cl2N2O4H16C19 A2B2C4D16E19 -125.73 2.44 -8.97 -0.61 0
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135517 51883876 1 Cl2N3O3C21H21 A2B3C3D21E21 -99.44 2.56 -9.64 -0.81 0
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135518 51884322 1 ClSO2N4H23C24 ABC2D4E23F24 12.84 4.26 -8.84 -0.69 0
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135519 51884913 1 Cl2S2N3O3C17H19 A2B2C3D3E17F19 -83.43 5.2 -8.73 -1.17 -1
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135520 51885299 1 NO3H14C15 AB3C14D15 -55.84 7.84 0.0 0.0 0
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135521 51885300 1 NO3C15H15 AB3C15D15 -70.69 4.02 -8.33 -0.8 -1
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135522 51885301 1 NO3H14C15 AB3C14D15 -55.77 7.95 0.0 0.0 0
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135523 51885470 1 ClNO2C12H16 ABC2D12E16 -87.56 3.19 -8.98 0.0 0
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135524 51885471 1 ClNO2C12H16 ABC2D12E16 -87.42 2.93 -9.04 -0.09 0
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135525 51885748 1 NO5H23C26 AB5C23D26 -129.46 4.6 -9.33 -0.47 0
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135526 51886551 1 FSN2O4H21C22 ABC2D4E21F22 -122.29 4.82 -9.36 -1.42 0
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135527 51886710 1 SN3O4C19H31 AB3C4D19E31 -170.1 4.55 -8.54 0.0 1
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135528 51886858 1 O2N4C22H27 A2B4C22D27 -27.66 3.14 0.0 0.0 0
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135529 51886883 1 N2O2C21H28 A2B2C21D28 -49.75 2.79 -8.49 0.15 -1
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135530 51887363 1 NS2O4C14H14 AB2C4D14E14 -65.29 6.75 0.0 0.0 0
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135531 51887990 1 O3C14H20 A3B14C20 -134.97 4.6 -9.28 -0.01 -1
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135532 51888427 1 F2N2O2H5C9 A2B2C2D5E9 -69.52 2.88 0.0 0.0 -1
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135533 51888428 1 O2N4H9C12 A2B4C9D12 76.92 18.87 0.0 0.0 2
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135534 51888429 1 N2C13H28 A2B13C28 -20.5 2.34 -8.75 1.41 0
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135535 51888430 2 ClNH3C4 ABC3D4 38.39 3.59 -10.15 -1.02 0
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135536 51888431 2 ClNH3C4 ABC3D4 38.13 1.62 -10.01 -0.85 1