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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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226412 87351895 1 PtI2F3N3C19H24 AB2C3D3E19F24 -36.18 5.92 -8.08 -3.55 0
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226413 87351897 1 F3O3N5C31H48 A3B3C5D31E48 -265.62 8.18 -8.72 -0.23 1
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226414 87351899 1 SN3O4C13H22 AB3C4D13E22 -83.52 7.07 0.0 0.0 0
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226415 87351900 1 ClN4C23H27 AB4C23D27 78.44 5.2 -8.23 0.12 0
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226416 87351901 1 N4C23H26 A4B23C26 127.28 2.13 -8.0 0.21 0
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226417 87351902 1 PtI2F3N4C16H19 AB2C3D4E16F19 -56.36 11.29 -7.5 -1.64 0
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226418 87351903 1 PtI2N3C11H19 AB2C3D11E19 117.13 8.79 -7.98 -3.39 0
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226419 87351904 2 FNO2C8H9 ABC2D8E9 -192.39 6.9 -8.78 -1.26 0
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226420 87351905 2 FNO2C8H9 ABC2D8E9 -193.75 9.49 -8.96 -1.38 0
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226421 87351908 1 O16C53H56 A16B53C56 -559.29 14.96 -9.94 -1.47 0
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226422 87351909 1 PtI2N3C10H17 AB2C3D10E17 107.92 7.71 -8.16 -3.16 0
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226424 87351925 1 PtI2F3N3C18H20 AB2C3D3E18F20 15.4 7.48 -8.08 -3.42 0
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226425 87351934 1 O16H76C79 A16B76C79 -460.32 5.22 -9.52 -1.34 0
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226426 87351935 1 PtI2N3C15H19 AB2C3D15E19 123.13 6.39 -8.0 -2.56 0
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226427 87351937 1 PtI2N3C15H21 AB2C3D15E21 129.8 7.06 -8.2 -2.94 0
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226428 87351939 1 ClOPtI2N3C19H20 ABCD2E3F19G20 128.61 6.96 -8.4 -3.16 0
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226429 87351945 1 ClSF3O3H22C23 ABC3D3E22F23 -240.28 9.27 -9.79 -1.15 0
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226430 87351946 1 PtI2N3C21H23 AB2C3D21E23 176.59 5.69 -7.86 -2.77 0
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226431 87351959 1 ClF3O4C21H26 AB3C4D21E26 -344.89 2.38 -9.88 -0.54 0
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226432 87351962 1 OPtI2N3C16H21 ABC2D3E16F21 72.28 8.28 -7.55 -1.48 0
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226433 87351963 1 PtI2F3N3C18H22 AB2C3D3E18F22 -50.55 10.14 -7.59 -2.05 1
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226434 87351968 1 SN5O5C33H34 AB5C5D33E34 -98.41 1.82 0.0 0.0 0
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226435 87351972 1 S2N4O7C65H68 A2B4C7D65E68 -143.68 10.84 -8.6 -0.68 0
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226436 87351979 1 OPtCl2N3C18H25 ABC2D3E18F25 86.7 6.74 -8.46 -0.87 0
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226437 87351984 1 OPtBr2N3C18H25 ABC2D3E18F25 31.93 7.76 -8.47 -1.63 0
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226438 87351986 1 ClN2C14H19 AB2C14D19 3.83 7.28 -9.61 -0.02 0
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226439 87352001 1 PtI2N3C12H19 AB2C3D12E19 127.65 7.65 -8.14 -3.18 0
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226440 87352002 1 PtI2N3C13H17 AB2C3D13E17 142.53 8.0 -7.98 -3.37 0
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226441 87352003 1 ClFNO2H15C16 ABCD2E15F16 -97.98 3.34 -8.96 -0.41 0
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226442 87352004 1 FSN2O3H19C23 ABC2D3E19F23 -74.76 3.68 -8.52 -0.81 0
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226443 87352005 1 PtI2O2F3N3C21H22 AB2C2D3E3F21G22 -56.91 5.65 -8.32 -3.29 0
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226444 87352006 1 PtI2N3C20H33 AB2C3D20E33 77.8 7.97 -7.95 -3.02 0
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226445 87352007 1 O7N9C57H67 A7B9C57D67 -174.16 6.63 -8.57 -1.01 0
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226446 87352008 1 PtI2N3C10H15 AB2C3D10E15 123.33 5.83 -7.26 -2.32 0
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226447 87352009 1 PtI2N3C12H15 AB2C3D12E15 137.64 9.74 -8.1 -2.48 0
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226448 87352010 1 FPtI2N3C13H14 ABC2D3E13F14 123.75 7.02 -8.29 -3.28 0
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226449 87352014 2 NOC6H13 ABC6D13 -137.03 2.66 -9.24 1.26 0
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226450 87357378 1 NO4C18H19 AB4C18D19 -113.34 5.73 -9.04 -0.76 0
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226451 87357379 1 NP2O5C21H47 AB2C5D21E47 -297.26 2.03 -7.88 1.56 0
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226452 87357382 1 Cl3N3O5H40C41 A3B3C5D40E41 -85.9 5.38 -8.78 -0.46 0
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226453 87457394 1 BrS2O3N6C22H27 AB2C3D6E22F27 -31.99 2.83 -8.7 -0.67 1
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226454 87457399 1 N5C12H16 A5B12C16 95.21 5.31 0.0 0.0 0
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226457 87457407 1 SN3O3C12H17 AB3C3D12E17 -66.6 8.86 -8.8 -0.21 0
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226458 87457415 1 O5C25H26 A5B25C26 -148.01 1.89 -9.42 -0.07 0
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226459 87457422 1 FN3O3C25H28 AB3C3D25E28 -57.0 2.49 -8.77 -0.43 0
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226460 87457423 2 ClSF2O3N6C26H31 ABC2D3E6F26G31 -278.88 10.3 -8.09 -0.84 0
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226461 87457424 2 ClFO2N8C29H32 ABC2D8E29F32 -8.12 10.33 -8.25 -0.81 0
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226462 87457425 1 N2O3C9H20 A2B3C9D20 -125.13 8.12 -8.92 0.97 0
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226463 87457426 1 SN3C7H11 AB3C7D11 57.3 8.09 -9.13 -0.02 0
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226464 87457430 1 ClN5O5C10H12 AB5C5D10E12 -116.16 12.45 -9.25 -0.48 0