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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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305017 124766431 1 NO3H31C33 AB3C31D33 -11.0 2.28 -9.19 -0.36 0
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305018 124766432 1 BrFNO3C23H23 ABCD3E23F23 -130.97 4.05 -8.78 -0.46 0
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305019 124766433 1 NO5C18H19 AB5C18D19 -156.72 9.06 -9.97 -0.68 0
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305020 124766434 1 NO5C18H19 AB5C18D19 -155.15 5.87 -9.74 -0.44 0
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305025 124766439 1 FN2O2H21C24 AB2C2D21E24 25.29 9.05 -8.71 -0.97 0
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305027 124766441 1 FN2O2H21C24 AB2C2D21E24 20.06 8.75 -8.74 -1.0 0
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305033 124766447 1 BrN2O6C33H33 AB2C6D33E33 -201.27 2.02 -9.2 -0.9 0
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305034 124766448 1 NOC21H27 ABC21D27 -21.04 2.18 -9.12 0.39 0
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305035 124766449 1 NOC21H27 ABC21D27 -24.62 3.32 -8.97 0.37 0
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305037 124766451 1 NO4C20H30 AB4C20D30 -122.19 18.57 0.0 0.0 1
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305038 124766452 1 NO4C20H30 AB4C20D30 -128.03 2.06 0.0 0.0 0
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305039 124766453 2 ClNO2H10C15 ABC2D10E15 -35.28 3.43 -9.49 -1.01 0
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305041 124766455 1 NCl2O6C15H19 AB2C6D15E19 -266.46 3.66 -9.86 -0.79 0
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305042 124766457 1 NCl2O6C15H19 AB2C6D15E19 -267.48 2.44 -9.76 -0.68 0
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305043 124766458 1 NCl2O6C15H19 AB2C6D15E19 -268.65 3.4 -9.85 -0.78 0
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305044 124766459 1 NOC23H31 ABC23D31 -28.14 2.37 -9.03 0.21 0
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305045 124766460 1 NOC23H31 ABC23D31 -32.39 2.5 -9.06 0.3 0
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305046 124766461 1 NO3H23C27 AB3C23D27 -25.88 2.29 -8.85 0.06 0
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305047 124766462 1 NO3H23C27 AB3C23D27 -26.63 1.99 -8.86 0.02 0
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305049 124766465 1 ClNO2H22C25 ABC2D22E25 -18.02 7.97 -8.64 -0.57 0
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305050 124766466 1 ClSN3O6H18C20 ABC3D6E18F20 -63.02 7.55 -9.27 -1.77 0
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305051 124766467 1 ClSN3O6H18C20 ABC3D6E18F20 -73.93 3.52 -9.17 -1.65 0
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305052 124766468 1 ClSN3O6H18C20 ABC3D6E18F20 -58.26 9.33 -9.31 -1.6 0
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305053 124766470 1 I2N2O6H20C27 A2B2C6D20E27 -119.38 1.72 -9.28 -1.2 0
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305054 124766472 1 ClSN3O6C22H22 ABC3D6E22F22 -67.29 7.97 -9.21 -1.82 0