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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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7829 74296 1 NSO2H11C12 ABC2D11E12 -23.58 5.28 -9.67 -0.64 0
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7830 74299 1 BClO2C6H6 ABC2D6E6 -143.3 1.89 -9.6 -0.39 0
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7831 74303 1 O3N6C14H17 A3B6C14D17 -16.94 6.92 0.0 0.0 1
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7832 74310 1 FON3C4H4 ABC3D4E4 -55.43 5.17 -9.58 -0.86 0
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7834 74316 1 OC9H12 AB9C12 -43.48 1.33 -8.7 0.34 0
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7835 74317 2 OC5H5 AB5C5 -67.29 5.65 -10.21 -0.78 0
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7836 74318 1 OH10C13 AB10C13 7.92 1.77 -9.01 -0.56 0
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7837 74319 1 NOH11C13 ABC11D13 26.93 0.54 -8.84 -0.59 0
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7838 74322 1 NSO3H10C12F17 ABC3D10E12F17 -961.32 5.87 -10.16 -0.98 0
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7839 74324 1 OSF3H7C14 ABC3D7E14 -142.91 5.46 -9.14 -1.42 0
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7840 74325 1 NO2C9H11 AB2C9D11 -74.45 2.76 -8.47 -0.03 0
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7841 74328 1 ClO2C5H7 AB2C5D7 -97.35 2.86 -10.43 -0.7 0
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7842 74329 2 BrNOH5C7 ABCD5E7 -16.47 3.33 -9.24 -1.22 0
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7843 74330 1 O3C9H10 A3B9C10 -121.38 5.91 -10.03 -0.32 0
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7844 74331 2 NO2C8H8 AB2C8D8 -60.99 0.23 -8.51 -1.03 0
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7845 74332 1 NSO4C22H33 ABC4D22E33 -169.64 3.6 -8.86 -0.88 0
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7846 74334 1 ClN2O2H7C10 AB2C2D7E10 -14.94 2.34 -9.26 -1.56 0
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7847 74337 1 SO2H12C14 AB2C12D14 -41.55 1.35 -8.72 -0.84 0
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7848 74338 1 O3H20C21 A3B20C21 -46.62 4.21 -8.51 -0.22 0
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7849 74339 1 ClO2H19C21 AB2C19D21 -10.81 1.45 -8.52 -0.15 0
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7850 74340 2 O3C5H9 A3B5C9 -293.28 4.27 -10.51 0.2 0
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7851 74343 1 NOC8H9 ABC8D9 -9.14 2.76 -10.27 -0.94 0
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7852 74345 1 AgCNS ABCD 77.14 6.67 -8.7 -3.21 0
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7853 74346 1 OC7H10 AB7C10 -32.57 0.53 -8.77 0.88 0
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7854 74347 1 OC16H24 AB16C24 -69.9 3.37 -9.24 0.24 0
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7855 74349 1 O6C27H52 A6B27C52 -174.01 3.14 -9.1 0.3 0
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7856 74350 1 OC9H12 AB9C12 -34.96 1.68 -8.48 0.52 0
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7857 74351 1 OH12C13 AB12C13 6.02 1.75 -8.72 0.07 0
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7858 74354 1 O2H12C13 A2B12C13 -46.13 0.59 -8.55 -0.13 0
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7859 74355 1 PO3C8H9 AB3C8D9 -145.11 2.15 -9.7 -0.66 0
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7860 74356 1 ClN2H15C21 AB2C15D21 94.56 2.99 -8.51 -0.68 0
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7861 74358 1 N5O6H13C18 A5B6C13D18 89.53 6.93 -9.7 -2.09 0
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7862 74360 1 O2C9H18 A2B9C18 -117.95 1.77 -9.87 1.63 0
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7863 74361 1 O3C10H20 A3B10C20 -165.92 3.18 -10.04 1.57 0
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7864 74363 1 OC7H14 AB7C14 -58.9 2.32 -9.8 1.06 0
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7865 74365 1 OC6H12 AB6C12 -57.94 2.45 -9.43 1.22 0
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7866 74366 1 NOC7H7 ABC7D7 -5.04 3.44 -8.78 -0.68 0
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7867 74367 1 NSO2C10H15 ABC2D10E15 -67.21 5.16 -9.49 -0.52 0
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7868 74368 1 SN2O2C7H10 AB2C2D7E10 -57.93 6.73 -9.15 -0.24 0
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7869 74369 1 SN2O2C8H12 AB2C2D8E12 -57.4 8.59 -9.12 -0.32 0
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7870 74371 1 O3C9H10 A3B9C10 -87.71 3.08 -8.62 0.22 0
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7871 74373 1 ClIOH4C7 ABCD4E7 -3.84 3.04 -10.03 -1.56 0
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7872 74376 1 ClFOH4C7 ABCD4E7 -67.47 3.66 -10.51 -1.52 0
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7873 74377 1 BrClOH4C7 ABCD4E7 -17.96 3.72 -10.24 -1.51 0
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7874 74381 1 ClC9H9 AB9C9 17.89 2.03 -9.32 -0.2 0
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7875 74383 1 OC11H16 AB11C16 -41.38 1.22 -9.44 0.34 0
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7876 74384 1 NPS2O5C11H18 ABC2D5E11F18 -263.1 6.67 -9.78 -0.73 0
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7877 74385 1 NPS2O5C10H16 ABC2D5E10F16 -255.79 4.74 -9.83 -0.75 0
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7878 74386 1 OPCl2S2C10H13 ABC2D2E10F13 -109.96 2.31 -9.24 -0.9 0
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7879 74387 1 OPCl2S2C10H13 ABC2D2E10F13 -106.46 2.37 -9.3 -0.96 0
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7880 74390 1 PS2O3C12H19 AB2C3D12E19 -203.0 5.29 -8.72 -0.38 0
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7881 74391 1 ClFOC9H10 ABCD9E10 -82.71 2.5 -9.02 -0.21 0
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7882 74392 2 CSF2 ABC2 -191.37 0.0 -10.41 -2.16 0
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7883 74393 1 SiCl2C3H8 AB2C3D8 -80.69 3.02 -9.77 0.22 0
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7884 74395 1 ClN4H17C23 AB4C17D23 194.51 10.54 -8.29 -1.74 0
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7885 74396 1 N4H17C23 A4B17C23 185.8 1.77 0.0 0.0 1
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7886 74397 1 SN2C4H10 AB2C4D10 -0.36 2.31 -9.17 -0.13 0
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7887 74398 1 O9C20H22 A9B20C22 -285.12 2.78 -8.57 -0.88 0
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7888 74402 1 NC11H11 AB11C11 29.89 1.19 -8.84 -0.5 0
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7889 74403 1 ClON2C5H5 ABC2D5E5 7.6 3.39 -9.63 -0.92 0
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7890 74405 1 Cl2N4C7H10 A2B4C7D10 31.16 5.46 -9.63 -0.83 0
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7891 74407 1 O4C11H20 A4B11C20 -215.52 3.05 -10.9 0.62 0
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7892 74412 1 NC10H15 AB10C15 5.84 4.22 -9.36 0.99 0
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7893 74413 1 BrMgC3H5 ABC3D5 -21.83 2.49 -9.04 -0.26 0
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7894 74414 1 OC11H14 AB11C14 -36.6 1.04 -8.44 0.46 0
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7895 74415 2 O2C7H13 A2B7C13 -226.43 2.96 -10.8 0.76 0
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7896 74416 1 O4C9H16 A4B9C16 -200.9 3.64 -10.86 0.69 0
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7897 74417 16 CH AB 9.23 0.01 -8.15 -0.01 0
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7898 74418 1 NOH13C18 ABC13D18 9.38 3.45 -8.41 -1.03 0
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7899 74420 10 HOC2 ABC2 -313.25 8.02 -11.46 -2.44 0
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7900 74421 1 O12H14C23 A12B14C23 -408.1 9.29 -11.23 -2.49 0
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7901 74423 1 OPC14H15 ABC14D15 -30.22 4.66 -9.81 -0.1 0
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7902 74424 2 ClH5C6 AB5C6 13.08 0.04 -9.02 -0.87 0
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7903 74427 1 KSO4H7C10 ABC4D7E10 -183.53 11.05 -8.86 -0.73 0
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7904 74434 1 ClN2F3H10C11 AB2C3D10E11 -139.47 8.37 -9.35 -0.82 0
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7905 74435 1 F5H5C9 A5B5C9 -187.21 2.02 -10.44 -1.13 0
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7906 74438 1 OF4H8C9 AB4C8D9 -233.81 2.42 -9.44 0.0 0
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7907 74439 1 OF4H8C9 AB4C8D9 -232.45 2.8 -9.24 -0.09 0
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7908 74440 1 FN2O2C9H9 AB2C2D9E9 -109.86 4.69 -9.32 -0.45 0
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7909 74441 1 N2C3H4F6 A2B3C4D6 -315.06 2.06 -11.01 0.14 0
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7910 74443 1 NC14H15 AB14C15 41.97 1.9 -8.22 0.2 0
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7911 74444 1 N2C7H12 A2B7C12 5.82 4.44 -8.35 1.2 0
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7912 74446 1 OC10H14 AB10C14 -47.95 2.15 -8.64 0.33 0
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7913 74447 1 PS2O4C5H11 AB2C4D5E11 -253.01 3.1 -9.24 -0.63 0
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7914 74448 2 C9H11 A9B11 1.74 1.4 -8.69 0.59 0
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7915 74451 2 C2N3H6 A2B3C6 86.59 0.0 -8.45 1.41 0
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7916 74452 1 NC6H13 AB6C13 -4.97 1.94 -9.58 1.16 0
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7917 74455 1 BrN2S2C22H23 AB2C2D22E23 50.77 5.98 -7.38 -0.66 0
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7918 74456 1 SiCl2C4H6 AB2C4D6 -55.39 2.38 -10.28 -0.3 0
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7919 74457 1 O2C21H24 A2B21C24 -37.23 2.71 -8.67 0.18 0
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7920 74458 1 OC9H10 AB9C10 -0.11 1.46 -8.87 0.26 0
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7921 74462 1 SN3C5H11 AB3C5D11 21.74 1.16 -8.72 -0.26 0
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7922 74463 1 ON2H10C12 AB2C10D12 19.5 4.56 -9.01 -0.95 0
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7923 74464 1 N3O3C13H13 A3B3C13D13 -85.32 5.59 -8.49 -1.35 0
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7924 74471 2 AsC3O3H4 AB3C3D4 -175.84 1.86 -10.21 -0.74 0
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7925 74472 2 OC6H11 AB6C11 -62.78 0.54 -8.7 0.64 0
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7926 74473 2 NOH5C7 ABC5D7 -21.45 1.38 -8.64 -1.38 0
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7927 74476 1 OH3C6F7 AB3C6D7 -358.36 3.76 -10.32 -0.89 0
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7928 74477 1 O3H10C14 A3B10C14 -50.47 3.6 -9.02 -1.14 0
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7929 74478 1 ClNO3H6C7 ABC3D6E7 -46.75 3.93 -9.63 -1.73 0