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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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256950 103142612 1 ClO2C16H23 AB2C16D23 -99.94 4.61 -8.86 0.37 0
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256951 103142620 1 BrOC14H23 ABC14D23 -75.78 2.65 -9.53 0.33 0
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256952 103142639 1 BrOC12H21 ABC12D21 -86.88 2.38 -9.54 0.36 0
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256953 103142657 1 NOC16H19 ABC16D19 -12.26 3.73 -9.09 -0.7 0
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256954 103142660 1 BrOC11H21 ABC11D21 -90.12 2.29 -9.67 -0.02 0
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256955 103142670 1 BrOC16H23 ABC16D23 -58.38 3.0 -8.85 0.18 0
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256956 103142677 1 FNOH14C17 ABCD14E17 -24.62 2.3 -9.22 -0.81 0
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256957 103142700 1 NOC13H15 ABC13D15 -15.62 1.35 -9.12 -0.74 0
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256958 103142708 1 BrClOC14H18 ABCD14E18 -57.01 4.47 -9.42 -0.17 0
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256959 103142715 1 ClFOC14H18 ABCD14E18 -107.13 3.68 -9.62 0.05 0
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256960 103142716 1 ON2C16H20 AB2C16D20 -12.09 1.24 -8.94 -0.81 0
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256961 103142719 1 BrClOC14H18 ABCD14E18 -56.8 5.14 -9.52 -0.15 0
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256962 103142725 1 NOC15H19 ABC15D19 -23.93 4.15 -9.07 -0.66 0
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256963 103142729 1 BrClOC14H18 ABCD14E18 -55.08 2.22 -9.62 -0.2 0
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256964 103142749 1 ClO2C14H23 AB2C14D23 -112.54 2.92 -9.59 1.04 0
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256965 103142773 1 N3O4C13H13 A3B4C13D13 -38.44 6.25 -9.7 -1.79 0
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256966 103142778 1 NO3H13C17 AB3C13D17 -33.54 1.89 -8.94 -0.84 0
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256967 103142785 3 OC3H6 AB3C6 -163.71 3.93 -9.68 2.22 0
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256968 103142795 1 O3C15H22 A3B15C22 -135.48 1.31 -9.53 0.07 0
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256969 103142797 1 O3C16H24 A3B16C24 -144.77 2.04 -9.08 0.41 0
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256970 103142802 1 O3C16H24 A3B16C24 -145.79 1.35 -9.41 0.18 0
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256971 103142804 1 ClO3C15H21 AB3C15D21 -142.9 3.87 -9.58 -0.24 0
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256972 103142836 1 OCl2C11H20 AB2C11D20 -109.02 3.52 -9.86 0.84 0
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256973 103142837 1 NOC17H21 ABC17D21 -25.89 4.26 -9.02 -0.58 0
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256974 103142843 1 OCl3C15H19 AB3C15D19 -75.87 0.91 -9.57 -0.34 0