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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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311866 126598578 1 N3O5C23H31 A3B5C23D31 -212.34 8.36 -8.76 -0.93 0
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311867 126598582 2 N2O2C9H9 A2B2C9D9 -96.76 9.87 -9.13 -1.18 0
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311868 126598636 1 O3N4C29H46 A3B4C29D46 -132.91 2.33 -8.15 0.31 0
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311869 126598656 1 NC13H21 AB13C21 19.01 2.77 -9.03 1.12 0
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311870 126598657 2 NC4H7 AB4C7 33.71 0.49 -8.46 0.41 0
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311871 126598660 1 N2C43H44 A2B43C44 71.05 0.97 -7.77 -0.29 0
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311872 126598661 2 NH27C30 AB27C30 157.7 3.18 -7.95 -0.44 0
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311873 126598669 1 ON2H48C57 AB2C48D57 145.19 1.94 -7.8 -0.61 0
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311874 126598670 1 N2H40C45 A2B40C45 117.18 2.07 -7.92 -0.37 0
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311875 126598681 1 BrNC30H34 ABC30D34 18.96 2.51 -8.02 -0.36 0
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311877 126598685 1 N5H45C54 A5B45C54 205.71 2.42 -7.82 -1.23 0
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311878 126598690 2 OC5H9 AB5C9 -97.17 3.2 -8.83 1.27 0
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311879 126598696 1 OSN5C28H31 ABC5D28E31 88.69 5.78 -8.14 -0.68 0
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311880 126598703 1 F2N2O3H24C27 A2B2C3D24E27 -104.87 7.42 -8.38 -1.09 0
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311881 126598704 1 N3C16H31 A3B16C31 -23.53 1.99 -8.53 2.6 0
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311882 126598706 1 N2F3O3H11C14 A2B3C3D11E14 -232.28 5.89 -9.44 -0.91 0
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311883 126598708 1 F3O3N4H17C22 A3B3C4D17E22 -182.34 5.5 -8.85 -1.11 0
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311884 126598748 1 ON2C35H52 AB2C35D52 -89.06 4.32 -8.95 0.5 0
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311885 126598749 1 F3O3N4H17C22 A3B3C4D17E22 -172.47 2.46 -8.99 -1.28 0
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311886 126598800 1 N2F3O6H25C26 A2B3C6D25E26 -352.75 8.79 -9.04 -1.02 0
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311887 126598845 1 N2H40C45 A2B40C45 122.81 2.91 -7.97 -0.42 0
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311888 126598854 1 N2H42C49 A2B42C49 140.78 1.43 -7.86 -0.63 0
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311889 126598888 1 O2C13H18 A2B13C18 -59.23 3.81 -8.88 0.12 0
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311890 126598889 1 N3O5H19C21 A3B5C19D21 -93.64 7.04 -8.9 -1.1 0
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311891 126598900 1 F3N3O5H22C25 A3B3C5D22E25 -245.84 4.13 -8.7 -0.87 0
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311892 126598940 1 SN5H79C96 AB5C79D96 284.62 4.52 -7.84 -0.7 0
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311893 126598971 1 N2F3O4H23C24 A2B3C4D23E24 -263.2 0.81 -8.51 -0.46 0
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311894 126599027 1 F3N3O5H24C26 A3B3C5D24E26 -295.53 2.41 -8.86 -0.65 0
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311895 126599096 1 F3N3O3H22C24 A3B3C3D22E24 -195.75 2.23 -8.72 -0.59 0
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311896 126599116 1 O2N4C31H36 A2B4C31D36 -44.26 6.68 -8.88 -0.59 0
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311897 126599133 1 N2O3F4H22C27 A2B3C4D22E27 -216.44 4.54 -8.37 -1.07 0
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311898 126599134 1 N2O5C29H30 A2B5C29D30 -86.76 6.1 -8.17 -0.92 1
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311899 126599138 1 N2O7H27C30 A2B7C27D30 -179.91 2.72 0.0 0.0 1
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311900 126599141 1 O3N4C30H33 A3B4C30D33 -4.02 7.82 0.0 0.0 1
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311901 126599142 1 N2O7H31C32 A2B7C31D32 -196.17 5.74 0.0 0.0 3
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311902 126599149 1 N3O3C22H46 A3B3C22D46 -75.66 1.44 0.0 0.0 0
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311903 126599162 1 CH4P4 AB4C4 85.52 1.81 -9.22 -0.94 0
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311904 126599201 2 N2O3H13C16 A2B3C13D16 -58.12 4.72 -8.36 -1.47 0
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311905 126599255 3 NC5H9 AB5C9 19.95 3.82 -8.36 0.52 0
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311906 126599266 1 O4C15H28 A4B15C28 -191.12 1.21 -9.53 1.23 0
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311907 126599299 1 N2O3C15H22 A2B3C15D22 -123.51 2.38 -9.14 0.21 0
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311908 126599300 1 ON5C28H35 AB5C28D35 25.14 6.64 -7.74 0.07 0
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311909 126599309 1 NO4C5H9 AB4C5D9 -193.42 5.61 -10.94 0.18 0
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311910 126599339 1 N3C11H19 A3B11C19 36.43 1.92 -8.5 0.3 0
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311911 126599387 1 Cl2N4O6C17H20 A2B4C6D17E20 -204.7 5.2 -9.85 -1.4 0
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311912 126599388 1 NC13H25 AB13C25 -43.7 1.38 -8.37 2.95 0
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311913 126599389 1 ClPN6O9C35H40 ABC6D9E35F40 -308.92 9.01 -9.51 -1.45 0
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311914 126599390 1 PCl2N3O7C18H22 AB2C3D7E18F22 -263.18 7.4 -9.38 -1.04 0
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311915 126599391 1 N2O2C17H30 A2B2C17D30 -130.9 4.24 -9.25 1.09 0
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311916 126599392 1 N3O3C18H29 A3B3C18D29 -150.06 7.82 -9.46 0.69 0
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311917 126599393 1 SO7C11H22 AB7C11D22 -333.9 2.72 -9.29 0.11 0
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311918 126599394 1 ClPN7O10C30H45 ABC7D10E30F45 -431.48 6.41 -9.49 -1.09 0
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311919 126599395 1 N3C14H17 A3B14C17 136.59 1.89 -8.12 0.06 0
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311920 126599396 1 NC13H25 AB13C25 -41.16 1.54 -8.4 2.81 0
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311921 126599397 1 ClN2O2F3H14C17 AB2C2D3E14F17 -175.88 1.63 -8.79 -0.75 0
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311922 126599398 2 NOC9H12 ABC9D12 -60.05 4.33 -8.92 0.1 0
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311923 126599399 1 BrSN2O2C14H19 ABC2D2E14F19 -6.81 2.57 -7.3 -0.65 0
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311924 126599401 1 NO2C9H17 AB2C9D17 -102.38 2.12 -9.38 0.92 0
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311925 126599402 1 O5C13H20 A5B13C20 -171.66 6.44 -9.73 -0.47 0
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311926 126599403 1 SF2N2O4C20H28 AB2C2D4E20F28 -215.94 5.56 -7.28 -0.77 0
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311927 126599404 1 NPO5C6H12 ABC5D6E12 -246.73 3.46 -10.24 -0.48 0
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311928 126599405 1 IOSN3H6C8 ABCD3E6F8 66.79 3.86 -8.96 -3.29 1
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311929 126599408 1 N2C38H49 A2B38C49 31.1 0.8 0.0 0.0 1
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311930 126599409 1 IN2C47H54 AB2C47D54 74.05 1.44 0.0 0.0 0
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311931 126599410 1 O2N4C5H10 A2B4C5D10 50.63 6.81 -10.27 -1.83 0
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311932 126599411 1 S2N5C25H33 A2B5C25D33 95.73 7.68 -8.4 -0.87 0
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311933 126599412 2 SO3N4C18H23 AB3C4D18E23 -195.94 3.76 -8.78 -1.2 0
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311934 126599413 1 S2O4N9H37C38 A2B4C9D37E38 -7.41 4.49 -9.04 -1.31 0
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311935 126599414 2 SO3N5C20H20 AB3C5D20E20 -83.78 5.41 -9.04 -1.45 0
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311936 126599415 1 ON2C10H20 AB2C10D20 -66.57 4.15 -8.98 1.08 0
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311937 126599417 2 SO3N5C17H22 AB3C5D17E22 -172.47 5.78 -9.22 -1.47 0
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311938 126599418 2 SO3N5C20H21 AB3C5D20E21 -94.12 7.3 -8.75 -1.65 0
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311939 126599420 1 S2O8N10C35H46 A2B8C10D35E46 -251.07 2.61 -8.76 -1.73 0
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311940 126599421 1 BrN4O4C24H31 AB4C4D24E31 -119.99 4.01 -9.34 -1.27 0
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311941 126599422 1 NC9H17 AB9C17 4.13 1.92 -9.3 0.74 0