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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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41553 8146272 1 ClN3O4C20H26 AB3C4D20E26 -176.35 2.69 -9.25 -0.39 1
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41554 8146274 1 ClN3O4C20H27 AB3C4D20E27 -153.85 2.77 0.0 0.0 0
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41555 8146282 1 ON2C26H26 AB2C26D26 55.76 3.82 -9.24 -0.03 1
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41556 8146284 1 O2S2N4C17H25 A2B2C4D17E25 -12.47 5.9 0.0 0.0 0
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41557 8146285 1 O2S2N4C17H24 A2B2C4D17E24 -30.67 4.17 -8.27 -1.02 1
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41558 8146287 1 O2S2N4C17H25 A2B2C4D17E25 -11.48 6.33 0.0 0.0 0
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41559 8146300 1 SO2N3C17H23 AB2C3D17E23 -55.88 5.46 -8.13 -0.47 0
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41560 8146307 1 SO3N4C21H30 AB3C4D21E30 -81.48 6.42 -8.16 -0.34 1
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41561 8146308 1 SO3N4C21H31 AB3C4D21E31 -66.04 6.64 0.0 0.0 1
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41562 8146314 1 N2O4C18H23 A2B4C18D23 -132.8 6.1 0.0 0.0 0
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41563 8146321 1 ClSO2N4C18H23 ABC2D4E18F23 -33.88 1.62 -8.36 -0.78 1
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41564 8146322 1 ClSO2N4C19H26 ABC2D4E19F26 -29.22 3.91 0.0 0.0 0
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41565 8146323 1 ClSO2N4C19H25 ABC2D4E19F25 -45.62 3.1 -8.35 -0.83 0
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41566 8146327 1 ON4C17H18 AB4C17D18 44.42 1.48 -9.1 -0.87 0
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41567 8146329 1 SO2N4C19H26 AB2C4D19E26 -35.91 4.86 -8.28 -0.47 1
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41568 8146347 1 N2O4C16H21 A2B4C16D21 -125.3 3.88 0.0 0.0 0
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41569 8146349 1 SO2N3C21H25 AB2C3D21E25 -23.87 2.42 -8.55 -0.32 0
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41570 8146351 1 SCl2O2N4C15H18 AB2C2D4E15F18 -33.42 2.19 -8.5 -1.46 1
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41571 8146353 1 FN3O3C21H21 AB3C3D21E21 -45.86 7.67 0.0 0.0 0
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41572 8146354 1 FN3O3H20C21 AB3C3D20E21 -64.0 8.57 -9.02 -0.94 1
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41573 8146361 1 SO3N4C16H21 AB3C4D16E21 -34.2 8.37 0.0 0.0 0
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41574 8146363 1 ON4C13H18 AB4C13D18 11.0 1.99 -9.47 -0.79 0
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41575 8146365 1 Cl2N2O4C17H18 A2B2C4D17E18 -154.31 1.0 -9.28 -1.84 1
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41576 8146366 1 Cl2N2O4C17H19 A2B2C4D17E19 -151.99 13.71 0.0 0.0 0
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41577 8146367 1 Cl2N2O4C17H18 A2B2C4D17E18 -155.36 1.71 -9.22 -1.8 0