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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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3873 10342 2 OC2H4 AB2C4 -93.97 1.85 -10.03 1.64 0
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3874 10345 1 OC7H10 AB7C10 -41.7 3.46 -9.85 0.75 0
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3875 10346 1 OC15H24 AB15C24 -73.82 1.7 -8.48 0.5 0
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3876 10348 1 O7C12H16 A7B12C16 -278.39 4.01 -8.93 -0.3 0
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3877 10349 1 O4C5H8 A4B5C8 -187.06 6.3 -11.15 -0.2 0
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3878 10350 6 COH2 ABC2 -280.55 5.7 -10.64 0.39 0
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3879 10351 1 O2H4C5 A2B4C5 -35.06 3.04 -10.04 -0.58 0
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3880 10352 1 C7H10 A7B10 22.33 0.46 -9.59 1.27 0
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3881 10353 1 OC10H20 AB10C20 -92.34 1.96 -10.08 2.97 0
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3882 10354 2 C5H8 A5B8 -5.86 1.62 -9.17 1.4 0
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3883 10355 1 NO2C7H11 AB2C7D11 -76.2 5.23 -9.18 -0.22 0
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3884 10356 1 O2C9H10 A2B9C10 -78.87 5.95 -9.75 -0.59 0
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3885 10357 1 O11C12H22 A11B12C22 -496.76 3.64 -10.36 0.32 0
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3886 10358 1 N2O3C13H26 A2B3C13D26 -87.17 3.69 -9.65 -0.59 0
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3887 10359 1 NO3C8H9 AB3C8D9 -96.3 4.22 -9.25 -0.93 0
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3888 10360 1 FINaO2H3C7 ABCD2E3F7 -130.78 8.39 -9.19 -0.72 0
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3889 10361 1 FIO2H4C7 ABC2D4E7 -87.13 3.82 -10.03 -1.56 0
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3890 10362 1 OC10H18 AB10C18 -78.59 3.57 -9.67 0.85 0
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3891 10363 1 OC10H16 AB10C16 -59.09 4.93 -9.61 0.07 0
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3892 10364 1 OC10H14 AB10C14 -48.72 1.51 -8.74 0.38 0
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3893 10366 1 NO4H5C7 AB4C5D7 -126.88 2.27 -11.32 -1.91 0
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3894 10369 2 C5H9 A5B9 -28.13 0.24 -9.0 1.67 0
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3895 10373 1 NO2C15H21 AB2C15D21 -91.44 1.45 -9.0 -0.54 0
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3896 10375 1 O4H14C15 A4B14C15 -106.11 3.45 -8.89 -0.95 0
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3897 10376 1 O3C14H14 A3B14C14 -78.07 6.29 -9.56 -0.19 0
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3898 10379 1 NO2H9C12 AB2C9D12 2.37 3.11 -8.98 -1.7 0
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3899 10380 1 OSN3C19H25 ABC3D19E25 12.81 3.53 -7.81 -0.2 0
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3900 10382 1 NOSC8H9 ABCD8E9 -20.82 2.38 -8.96 -0.4 0
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3901 10383 1 O3C8H10 A3B8C10 -108.69 1.03 -9.06 0.44 0
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3902 10384 1 N2O3C14H20 A2B3C14D20 -97.57 7.12 -8.73 -0.7 0
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3903 10385 1 NO2C11H19 AB2C11D19 -57.02 3.89 -7.53 0.03 0
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3904 10386 1 NOC11H18 ABC11D18 -4.78 2.39 0.0 0.0 1
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3905 10387 1 ClO2H7C8 AB2C7D8 -67.48 2.92 -9.96 -0.8 0
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3906 10392 1 NO2C7H7 AB2C7D7 -63.47 4.58 -9.21 -0.13 0
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3907 10394 1 O3C9H10 A3B9C10 -117.04 4.23 -9.18 -0.16 0
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3908 10396 2 OC9H17 AB9C17 -162.83 4.83 -10.61 0.9 0
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3909 10399 1 OC7H14 AB7C14 -74.78 2.3 -10.28 2.92 0
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3910 10400 1 OC7H12 AB7C12 -62.6 3.74 -9.9 0.8 0
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3911 10401 2 OC3H5 AB3C5 -100.94 5.4 -10.55 0.91 0
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3912 10410 1 FNaO2C4H6 ABC2D4E6 -187.95 7.02 -9.77 0.36 0
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3913 10416 2 OC9H16 AB9C16 -98.37 4.82 -9.24 0.71 0
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3914 10418 1 FOC3H5 ABC3D5 -61.96 2.59 -10.52 1.61 0
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3915 10429 1 ClC5H9 AB5C9 -19.79 3.13 -9.64 0.52 0
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3916 10432 1 OSN2C3H4 ABC2D3E4 -11.98 2.41 -9.75 -0.8 0
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3917 10434 2 OC3H4 AB3C4 -90.34 3.92 -10.44 0.26 0
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3918 10435 1 C3H5N5 A3B5C5 47.25 2.36 -9.73 -0.18 0
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3919 10436 1 O2C7H8 A2B7C8 -79.79 1.64 -9.11 0.26 0
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3920 10437 1 SN2O2C4H4 AB2C2D4E4 -57.59 4.29 -10.23 -1.23 0
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3921 10439 1 N2C5H6 A2B5C6 30.17 2.04 -8.89 0.08 0
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3922 10440 1 OC35H70 AB35C70 -201.87 3.72 -9.87 0.69 0
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3923 10441 1 OC19H38 AB19C38 -127.03 2.83 -9.78 0.8 0
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3924 10442 1 O2C3H8 A2B3C8 -104.2 3.18 -10.33 2.26 0
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3926 10449 1 FNOC3H4 ABCD3E4 -73.75 3.44 -10.58 0.19 0
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3927 10451 2 SC2H4 AB2C4 -0.88 2.44 -8.56 0.4 0
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3928 10452 2 SC2H4 AB2C4 -5.47 0.01 -8.71 0.53 0
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3929 10454 1 NO2S2C5H9 AB2C2D5E9 -60.15 4.29 -8.98 -0.16 0
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3930 10460 1 OC6H10 AB6C10 -32.45 4.48 -10.04 -0.36 0
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3931 10461 1 SCl2C4H8 AB2C4D8 -32.06 0.5 -9.24 -0.36 0
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3932 10462 2 CN2O2H3 AB2C2D3 -9.49 0.26 -11.0 -1.01 0
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3933 10463 1 O2C17H22 A2B17C22 19.34 2.89 -8.78 -0.79 0
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3934 10464 1 FC11H23 AB11C23 -102.82 1.9 -10.71 3.22 0
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3935 10466 1 O3C16H32 A3B16C32 -202.81 3.22 -10.15 0.69 0
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3936 10467 2 OC10H20 AB10C20 -179.07 4.46 -10.62 0.72 0
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3937 10469 2 OC13H26 AB13C26 -208.14 5.06 -10.46 0.59 0
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3938 10470 2 OC14H28 AB14C28 -216.58 5.1 -10.33 0.6 0
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3939 10471 2 OC15H30 AB15C30 -234.82 2.2 -10.36 0.54 0
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3940 10472 1 OC24H50 AB24C50 -160.17 2.29 -10.41 2.82 0
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3941 10473 1 ClNC2H8 ABC2D8 -43.53 5.79 -10.1 1.86 0
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3943 10475 1 AgCN ABC 96.01 6.35 -8.35 -2.42 0
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3944 10476 1 BrCN ABC 35.06 2.8 -11.74 -1.14 0
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3945 10477 1 CClN ABC 32.05 2.55 -11.82 -0.31 0
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3946 10479 1 CdC2H6 AB2C6 26.56 0.06 -8.6 2.43 0
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3947 10480 1 CN2O3H8 AB2C3D8 -165.08 7.09 -10.66 1.46 0
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3948 10483 1 IOC2H3 ABC2D3 -30.19 3.36 -9.89 -1.39 0
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3949 10484 1 OSC2H4 ABC2D4 -46.06 3.94 -9.83 -0.19 0