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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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178010 76262243 1 N3O5C27H35 A3B5C27D35 -173.62 4.26 -8.29 0.02 0
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178011 76262255 1 NF3O4H20C21 AB3C4D20E21 -246.98 3.91 -8.52 -0.33 0
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178012 76262294 1 O3N5C21H27 A3B5C21D27 35.66 5.93 -9.43 -1.88 0
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178013 76262410 1 OF2N2C18H18 AB2C2D18E18 -71.76 3.46 -8.69 -0.67 0
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178014 76262512 1 N2O3C24H24 A2B3C24D24 -64.39 0.91 -8.4 -0.45 0
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178015 76262513 1 FN3O3C23H26 AB3C3D23E26 -157.75 5.43 -9.58 -0.48 0
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178016 76263498 1 BrOSN2C17H19 ABCD2E17F19 10.75 5.89 -9.27 -0.97 0
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178017 76264409 1 SO2N4C19H20 AB2C4D19E20 -1.82 3.39 -8.65 -0.99 0
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178018 76264497 1 SF3O3N4H11C16 AB3C3D4E11F16 -111.2 1.6 -9.36 -2.66 0
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178019 76264498 1 O2S2F3N3H12C18 A2B2C3D3E12F18 -105.57 5.58 -8.94 -2.43 0
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178020 76264716 1 N4O4C23H32 A4B4C23D32 -133.87 4.19 -9.38 -0.94 1
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178021 76264788 1 ClSO3N4H18C21 ABC3D4E18F21 -32.74 2.55 0.0 0.0 0
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178022 76264789 1 ClSO2N3H18C22 ABC2D3E18F22 25.59 7.65 -9.05 -1.81 0
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178023 76264790 1 O3N4C21H30 A3B4C21D30 -139.9 2.6 -8.6 -0.18 0
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178024 76265101 1 O3N4C22H36 A3B4C22D36 -145.0 5.3 -8.47 0.02 0
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178025 76265774 1 BrOS2N3C21H24 ABC2D3E21F24 16.06 1.97 -8.54 -0.5 0
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178026 76265775 1 O4N7C20H31 A4B7C20D31 -129.66 5.58 -9.3 -0.38 0
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178027 76266506 1 SO3N5C23H35 AB3C5D23E35 -115.06 2.96 -8.39 0.16 0
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178028 76266521 1 O4N5C20H21 A4B5C20D21 -125.2 5.84 -8.97 -0.38 0
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178029 76266548 1 N3O4C17H25 A3B4C17D25 -109.0 5.92 -8.23 0.31 0
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178030 76266549 1 NF4O4C20H21 AB4C4D20E21 -329.68 3.7 -9.08 -0.94 0
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178031 76266550 1 FO2N3H20C21 AB2C3D20E21 -44.74 11.94 -8.84 -0.91 0
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178032 76266844 1 ClO2N4C20H29 AB2C4D20E29 -83.51 5.43 -8.86 -0.74 1
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178033 76266845 1 F2O3N4C20H21 A2B3C4D20E21 -158.46 2.94 0.0 0.0 0
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178034 76266846 1 ClS2O3N4C22H25 AB2C3D4E22F25 -88.13 3.64 -9.05 -1.6 0
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178035 76266944 1 SN3O3C23H29 AB3C3D23E29 -53.17 7.19 -8.76 -1.52 0
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178036 76266997 1 F2O2N4C19H20 A2B2C4D19E20 -132.86 1.0 -9.78 -0.61 0
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178037 76266998 1 N5O5C26H31 A5B5C26D31 -116.46 4.52 -8.94 -0.33 0
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178038 76266999 1 FO3N6C20H23 AB3C6D20E23 -120.68 7.75 -9.03 -0.93 0
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178039 76267588 1 ClSN2O5C20H23 ABC2D5E20F23 -149.79 8.58 -8.86 -0.91 0
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178040 76267589 1 OSN4C20H28 ABC4D20E28 -7.3 1.72 -8.7 -0.14 0
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178041 76267590 1 F3O4N6C22H31 A3B4C6D22E31 -292.69 8.39 -9.88 -1.74 0
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178042 76267591 1 SCl2O2N3H19C22 AB2C2D3E19F22 5.54 3.07 -9.26 -1.06 0
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178043 76267640 1 ClN3O5H18C19 AB3C5D18E19 -78.61 4.51 -9.42 -1.81 0
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178044 76268458 1 O5N6C23H36 A5B6C23D36 -216.65 10.83 -8.24 -0.32 0
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178045 76268606 1 SN4O7C21H28 AB4C7D21E28 -212.76 2.39 -9.41 -1.7 0
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178046 76269437 1 SN4O5C19H24 AB4C5D19E24 -157.38 3.54 -8.98 -0.45 0
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178047 76269510 1 ClN2O5H23C24 AB2C5D23E24 -145.9 6.38 -9.33 -0.83 0
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178048 76269511 1 N3O5C24H33 A3B5C24D33 -206.11 9.36 -9.36 -0.44 0
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178049 76269559 1 NSO7C24H27 ABC7D24E27 -249.16 11.09 -9.13 -1.03 0
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178050 76269560 1 BrNSO6C18H20 ABCD6E18F20 -201.92 8.34 -8.99 -0.78 0
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178051 76269575 1 ClNS2O5C17H20 ABC2D5E17F20 -170.26 4.19 -9.66 -0.82 0
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178052 76270056 1 ClSN2O5C19H21 ABC2D5E19F21 -177.78 3.56 -9.01 -1.17 0
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178053 76270057 1 ClSN3O5H18C19 ABC3D5E18F19 -146.7 7.23 -9.3 -1.27 0
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178054 76270345 1 N3O7H21C24 A3B7C21D24 -136.46 5.4 -8.95 -1.8 0
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178055 76270678 1 ClN2O5C19H19 AB2C5D19E19 -104.71 4.36 -9.86 -2.01 0
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178056 76270679 1 N3O7C25H29 A3B7C25D29 -285.38 4.06 -9.55 -0.74 0
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178057 76270689 1 SN4O6C21H22 AB4C6D21E22 -189.21 9.54 -8.85 -0.59 0
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178058 76270690 1 SN2O6C24H28 AB2C6D24E28 -202.72 11.49 -9.26 -0.85 0
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178059 76270691 1 FNO6C22H26 ABC6D22E26 -263.25 2.51 -9.06 -0.32 0