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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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139413 52526130 1 ON2C13H26 AB2C13D26 -84.76 3.68 -9.07 1.36 1
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139414 52526139 1 ON2C12H19 AB2C12D19 -14.44 5.44 0.0 0.0 0
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139415 52526140 1 ON2C12H18 AB2C12D18 -31.77 4.48 -8.66 0.22 0
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139416 52526714 1 ClSO3N4C23H23 ABC3D4E23F23 -81.63 14.44 -8.69 -1.13 -1
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139417 52527272 1 SF2O2N3H12C19 AB2C2D3E12F19 -20.71 4.58 0.0 0.0 0
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139418 52528141 1 SN2O5C14H16 AB2C5D14E16 -127.83 7.44 -9.6 -0.81 0
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139419 52528142 1 O2N5C20H31 A2B5C20D31 -47.67 6.84 -8.72 -0.26 1
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139420 52528318 1 FON3C22H23 ABC3D22E23 9.96 6.12 0.0 0.0 0
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139421 52529109 1 OSN5C20H29 ABC5D20E29 13.14 3.03 -9.33 -0.75 0
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139422 52529130 1 NO3H17C18 AB3C17D18 -72.41 4.96 -8.8 -0.45 0
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139423 52529133 1 N2O3C23H24 A2B3C23D24 -77.17 3.4 -8.71 -0.19 0
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139424 52529818 1 SN2O4C17H20 AB2C4D17E20 -130.52 8.24 -9.21 -1.04 0
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139425 52530036 3 NOC5H5 ABC5D5 41.21 6.02 -9.16 -1.41 0
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139426 52530037 1 ClN3O3C16H16 AB3C3D16E16 22.32 5.16 -8.96 -1.22 0
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139427 52530038 2 OSN2C6H7 ABC2D6E7 46.25 5.35 -8.81 -0.85 0
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139428 52530061 1 N2O4C19H20 A2B4C19D20 -72.2 3.35 -8.71 -0.91 0
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139429 52530127 1 NSO5C18H29 ABC5D18E29 -222.44 5.22 -8.29 0.26 1
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139430 52530222 1 FN3O3C22H25 AB3C3D22E25 -89.16 6.56 0.0 0.0 0
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139431 52530495 1 F2O2N3H19C20 A2B2C3D19E20 -89.06 3.36 -8.86 -0.72 0
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139432 52530496 1 F2O2N3H19C20 A2B2C3D19E20 -86.72 3.7 -8.91 -0.8 1
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139433 52530497 1 N3O3C20H26 A3B3C20D26 -80.56 4.12 0.0 0.0 1
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139434 52530872 1 NO2C19H28 AB2C19D28 -67.14 2.18 0.0 0.0 0
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139435 52530873 1 NO2C19H27 AB2C19D27 -76.7 1.29 -8.37 0.36 0
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139436 52530997 1 ClFNSO3C19H21 ABCDE3F19G21 -134.37 6.36 -8.74 -0.42 0
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139437 52531063 1 NS2C16H21 AB2C16D21 38.3 1.62 -8.79 -0.06 1