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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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285500 104109926 1 ClNC8H18 ABC8D18 -51.65 3.55 -9.07 1.06 0
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285501 104109927 1 ClNC13H20 ABC13D20 -20.77 3.08 -9.08 0.38 0
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285502 104109928 1 ClNC13H20 ABC13D20 -19.12 3.57 -9.12 0.36 0
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285503 104109930 1 NCl2C12H17 AB2C12D17 -22.2 2.39 -9.07 -0.13 0
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285504 104109937 1 ClNOC11H24 ABCD11E24 -92.1 3.54 -9.12 1.08 0
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285505 104109938 1 BrClNOC13H19 ABCDE13F19 -51.0 5.09 -8.76 0.12 0
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285506 104109939 1 ClNSO2C9H20 ABCD2E9F20 -133.37 4.74 -9.38 0.89 0
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285507 104109942 1 ClNOC15H22 ABCD15E22 -57.94 3.0 -8.51 0.26 0
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285508 104109947 1 ClNOC14H20 ABCD14E20 -54.41 1.83 -8.75 0.24 0
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285509 104109948 1 ClFNOC14H19 ABCDE14F19 -99.84 3.27 -8.87 -0.18 0
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285510 104109949 1 ClNSC14H20 ABCD14E20 -15.32 4.98 -8.36 0.0 0
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285511 104109951 1 BrClFNC12H16 ABCDE12F16 -59.9 3.31 -9.47 -0.42 0
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285512 104109952 1 ClSN2C11H19 ABC2D11E19 -20.02 2.39 -8.98 -0.17 0
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285513 104109953 1 ClN2C11H17 AB2C11D17 -2.62 2.66 -9.24 -0.08 0
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285514 104109954 1 ClNOF3C13H17 ABCD3E13F17 -218.42 4.08 -9.42 -0.49 0
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285515 104109958 1 BrClFNC12H16 ABCDE12F16 -56.92 2.9 -9.34 -0.46 0
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285516 104109960 1 ClNC13H28 ABC13D28 -71.25 3.4 -8.96 0.86 0
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285517 104109961 1 BrClFNC12H16 ABCDE12F16 -55.93 3.42 -9.36 -0.41 0
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285518 104109964 1 ClN4C12H23 AB4C12D23 -5.62 3.81 -9.45 0.14 0
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285519 104109980 1 ClNOC10H20 ABCD10E20 -87.07 2.95 -9.4 1.0 0
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285520 104109997 1 ClNC11H22 ABC11D22 -57.3 3.77 -8.98 1.14 0
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285521 104110001 1 ClNF2C12H16 ABC2D12E16 -103.88 4.28 -9.3 -0.24 0
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285522 104110002 1 ClNOC14H22 ABCD14E22 -58.8 3.68 -8.81 0.31 0
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285523 104110016 1 ClNOC10H22 ABCD10E22 -96.26 4.45 -8.99 0.96 0
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285524 104110017 1 ClNOC13H20 ABCD13E20 -52.34 1.51 -8.75 0.32 0