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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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11430 115421 2 NO2C12H15 AB2C12D15 -125.41 2.6 -8.27 -0.49 0
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11431 115425 1 NO2C24H25 AB2C24D25 -8.97 3.05 -8.72 -0.36 0
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11432 115446 1 N2O2C23H28 A2B2C23D28 -37.56 1.62 -8.26 0.0 0
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11433 115457 1 ClSN4O4C27H29 ABC4D4E27F29 -73.1 3.42 -8.9 -0.99 0
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11434 115508 1 SN2O2C12H18 AB2C2D12E18 -92.79 1.84 -9.96 -1.04 0
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11435 115531 1 NaN2O3C13H19 AB2C3D13E19 -202.66 8.07 -9.53 0.04 0
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11436 115535 1 NaN2O3C12H17 AB2C3D12E17 -197.58 8.12 -9.51 0.03 0
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11437 115558 1 N2O3C12H18 A2B3C12D18 -164.47 2.31 -10.84 -0.56 0
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11438 115568 1 NaN2O3C12H17 AB2C3D12E17 -197.44 8.47 -9.56 0.04 0
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11439 115578 1 NaN2O3C12H17 AB2C3D12E17 -197.86 8.18 -9.54 0.04 0
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11440 115592 1 NaSN2O2C13H19 ABC2D2E13F19 -131.95 11.29 -8.94 -0.1 0
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11441 115595 1 N2O3C13H20 A2B3C13D20 -168.11 2.58 -10.96 -0.62 0
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11442 115613 3 OC4H6 AB4C6 -128.96 2.68 -8.96 0.24 0
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11443 115631 1 O3C11H16 A3B11C16 -127.05 2.19 -8.87 0.21 0
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11444 115638 1 N2O2C21H24 A2B2C21D24 -41.46 3.27 -9.03 0.11 0
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11445 115652 1 NO2C13H19 AB2C13D19 -59.3 1.9 -8.02 0.41 0
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11446 115686 1 NO11C26H31 AB11C26D31 -423.29 4.19 -8.88 -0.4 0
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11447 115702 1 ClNS2H16C17 ABC2D16E17 59.03 1.93 -9.02 -0.51 0
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11448 115706 1 ClN6C10H23 AB6C10D23 1.07 9.09 -9.56 -0.1 0
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11449 115713 1 NO2C23H45 AB2C23D45 -175.46 3.05 -8.5 0.91 0
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11450 115722 1 SN2O5C7H14 AB2C5D7E14 -214.99 4.88 -9.53 -0.56 0
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11451 115723 1 N3O3C16H19 A3B3C16D19 -94.07 4.78 -9.13 -0.66 0
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11452 115728 1 NNaO3C8H12 ABC3D8E12 -170.96 13.2 -9.16 -0.12 0
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11453 115828 1 O3C44H82 A3B44C82 -286.52 6.04 -9.67 -0.3 0
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11454 115830 1 OC15H26 AB15C26 -68.31 2.44 -9.72 3.15 0
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11455 115861 1 NOC16H17 ABC16D17 2.09 2.98 -8.88 -0.28 0
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11456 115867 2 N2C15H16 A2B15C16 135.68 16.37 -5.22 -1.88 2
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11457 115870 1 NO2Cl3C4H4 AB2C3D4E4 -109.77 0.49 -11.07 -1.21 0
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11458 115873 1 ClS2N3O5C8H8 AB2C3D5E8F8 -119.25 9.35 -10.0 -1.56 0
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11459 115883 2 OCl2C3H5 AB2C3D5 -138.52 0.33 -10.87 -0.76 0
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11460 115889 1 Cl3O3C11H13 A3B3C11D13 -136.03 4.07 -9.74 -0.71 0
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11461 115900 1 ClNO2C6H14 ABC2D6E14 -94.1 14.86 -7.92 -0.87 0
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11462 115903 1 N2O2C13H21 A2B2C13D21 -45.91 1.65 0.0 0.0 1
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11463 115916 2 ClNOC11H17 ABCD11E17 -46.7 6.42 -7.7 -0.46 0
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11464 115920 1 Cl2S2N4C11H16 A2B2C4D11E16 -0.91 5.81 -8.41 -0.87 0
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11465 115922 1 NOCl2C13H21 ABC2D13E21 -77.72 6.56 -8.87 0.25 0
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11466 115923 1 ClNOC13H20 ABCD13E20 -40.45 2.62 -8.89 0.22 0
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11467 115941 1 N2C20H27 A2B20C27 69.36 1.87 0.0 0.0 1
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11468 115962 1 SN2O2C23H28 AB2C2D23E28 -28.93 4.3 -8.37 -0.31 0
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11469 115965 1 ClN3O3C7H14 AB3C3D7E14 -164.29 4.29 -10.06 0.07 0
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11470 115969 1 NOCl2C6H13 ABC2D6E13 -34.81 4.3 -9.65 0.02 0
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11471 115972 1 NO2C21H29 AB2C21D29 -46.94 1.32 -8.71 0.16 0
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11472 115986 1 ClON5C14H20 ABC5D14E20 -12.82 6.0 -8.85 -0.48 0
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11473 115999 1 ClN7C19H40 AB7C19D40 56.44 21.42 -7.84 -0.65 2
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11474 116004 1 ON5C10H19 AB5C10D19 -24.25 2.1 -9.73 0.13 0
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11475 116025 1 S3O4H14C16 A3B4C14D16 -52.55 3.98 -8.32 -0.92 0
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11476 116033 1 I2N3C17H19 A2B3C17D19 106.26 1.2 -8.42 -1.34 0
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11477 116037 1 SN2C11H14 AB2C11D14 24.48 2.07 -9.09 -0.26 0
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11478 116038 1 CuN2C4O4H8 AB2C4D4E8 -93.75 5.53 0.0 0.0 -2
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11479 116052 1 N2O3S4H16C17 A2B3C4D16E17 -43.54 4.8 -8.7 -0.65 0