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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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140413 52693816 1 F2O2N3C27H33 A2B2C3D27E33 -152.69 4.47 -9.06 -0.16 0
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140414 52693817 1 F2O2N3C27H33 A2B2C3D27E33 -147.37 3.55 -9.19 -0.34 0
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140415 52693969 1 FSN3O3H14C19 ABC3D3E14F19 -4.34 8.12 -8.9 -1.98 0
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140416 52694097 1 FSN2O4C16H19 ABC2D4E16F19 -118.05 4.57 -8.82 -1.67 0
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140417 52694174 1 N3O3C20H21 A3B3C20D21 -37.34 4.5 -8.41 -0.46 0
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140418 52694569 1 N3O3C16H21 A3B3C16D21 -128.79 7.54 -8.98 -0.36 0
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140419 52694570 1 N3O3C16H21 A3B3C16D21 -128.43 7.93 -8.97 -0.32 0
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140420 52694884 1 SN3O3C20H25 AB3C3D20E25 -93.25 3.73 -8.61 -0.58 0
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140421 52694885 1 SN2O5C23H26 AB2C5D23E26 -126.4 6.26 -8.6 -0.62 0
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140422 52694964 1 SN2O3C20H22 AB2C3D20E22 -39.41 3.51 -8.87 -0.6 0
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140423 52694965 1 SN2O2C20H22 AB2C2D20E22 1.7 1.94 -9.03 -0.67 0
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140424 52694966 1 SN2O2C20H22 AB2C2D20E22 -0.87 2.98 -8.85 -0.42 0
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140425 52694967 1 SN3O4H21C23 AB3C4D21E23 -26.88 6.4 -9.2 -1.12 0
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140426 52695081 1 N2O5C27H28 A2B5C27D28 -138.03 6.09 -8.66 -0.12 0
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140427 52695143 1 ClOSN3C20H20 ABCD3E20F20 10.53 3.41 -8.76 -0.67 0
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140428 52695564 1 N2O2C17H30 A2B2C17D30 -141.48 4.95 -9.26 0.89 0
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140429 52695832 1 NSO2C18H21 ABC2D18E21 -61.34 4.51 -8.3 -0.3 0
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140430 52695833 1 SCl2N2O2H18C20 AB2C2D2E18F20 -22.86 7.06 -8.69 -0.56 0
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140431 52695885 1 BrON5C20H20 ABC5D20E20 61.35 2.13 -7.74 -1.09 0
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140432 52695948 1 N2O3H26C27 A2B3C26D27 -26.47 2.53 -8.41 -0.25 0
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140433 52696636 1 SN3O3C21H23 AB3C3D21E23 -67.26 5.49 -8.85 -1.0 0
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140434 52696637 1 SN4O5C19H24 AB4C5D19E24 -85.65 5.17 -9.25 -1.03 0
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140435 52697184 1 NSO2Cl3C12H16 ABC2D3E12F16 -93.62 4.5 -9.58 -1.29 0
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140436 52697289 1 FSN3O4C19H30 ABC3D4E19F30 -197.85 4.26 -8.74 -0.3 1
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140437 52697643 1 FSN2O3C21H24 ABC2D3E21F24 -93.85 5.03 0.0 0.0 1