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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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309877 126563721 1 N3O3C19H19 A3B3C19D19 23.42 11.95 -8.69 -1.1 0
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309878 126563919 1 F3N3O6H20C21 A3B3C6D20E21 -343.56 3.6 -9.28 -1.48 0
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309879 126563924 1 N2O7C19H20 A2B7C19D20 -233.74 2.2 -8.61 -1.22 0
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309880 126563953 1 NO7C21H21 AB7C21D21 -231.91 4.98 -8.96 -1.29 0
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309881 126563954 1 NO7C21H23 AB7C21D23 -234.37 4.92 -8.93 -0.97 0
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309882 126564134 1 ON2C16H24 AB2C16D24 -50.57 4.17 -8.72 0.39 1
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309883 126564346 1 NPO4C12H17 ABC4D12E17 -137.03 5.82 0.0 0.0 1
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309884 126564365 1 PO2C20H28 AB2C20D28 -47.95 7.21 0.0 0.0 1
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309885 126564371 1 PO2C24H36 AB2C24D36 -72.92 7.78 0.0 0.0 0
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309886 126564590 1 FO5N7C27H36 AB5C7D27E36 -169.27 4.39 -8.73 -0.44 0
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309887 126564789 1 O2F3N4C23H25 A2B3C4D23E25 -187.66 4.66 -8.27 -0.94 0
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309888 126564964 1 ON9H17C22 AB9C17D22 200.74 10.89 -8.55 -2.21 0
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309889 126565182 1 O2N3S3C16H19 A2B3C3D16E19 -34.08 4.66 -9.25 -1.9 0
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309890 126565186 1 ON7C30H33 AB7C30D33 127.75 7.23 -7.89 -1.63 0
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309891 126565196 1 FO2N5C39H40 AB2C5D39E40 -10.88 3.4 -8.5 -0.75 0
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309892 126565359 1 ClSO2N7C29H32 ABC2D7E29F32 23.73 5.27 -8.5 -1.39 0
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309893 126565455 2 N4H8C11 A4B8C11 222.62 8.07 -8.57 -2.14 0
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309894 126565705 2 NOC8H11 ABC8D11 -60.07 4.63 -9.5 0.11 0
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309895 126565944 1 FNOC13H16 ABCD13E16 -89.11 5.52 -8.65 0.01 0
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309896 126565968 1 OF2N8H24C40 AB2C8D24E40 157.88 1.45 -8.35 -2.22 0
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309897 126566056 1 OSN7C23H31 ABC7D23E31 71.72 6.6 -8.09 -1.1 0
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309898 126566090 1 FON8H25C32 ABC8D25E32 168.98 8.77 -8.7 -2.26 0
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309899 126566162 1 FN5H28C34 AB5C28D34 172.13 7.82 -8.64 -1.97 0
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309900 126566187 1 O2N5C27H33 A2B5C27D33 -46.99 4.92 -8.26 -0.27 0
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309901 126566219 1 NF3O3C11H18 AB3C3D11E18 -324.37 3.21 -10.34 0.66 0
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309902 126566242 1 NSC12H25 ABC12D25 -36.55 3.24 -8.47 0.85 0
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309903 126566295 1 N3H31C38 A3B31C38 170.87 7.8 -6.74 -0.84 0
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309904 126566377 1 N2O5H14C24 A2B5C14D24 62.3 6.54 -8.68 -1.43 0
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309905 126566405 1 N3H45C58 A3B45C58 234.24 1.39 -7.76 -0.45 0
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309906 126566450 1 BrN2O4C11H15 AB2C4D11E15 -159.72 5.78 -9.84 -0.75 0
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309907 126566475 1 FON3C17H20 ABC3D17E20 -0.17 2.16 -8.77 -0.75 0
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309908 126566509 1 N2O4C21H30 A2B4C21D30 -145.68 2.15 -8.39 -1.62 0
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309909 126566536 1 OCl2N3C16H17 AB2C3D16E17 43.21 4.89 -8.92 -1.12 0
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309910 126566539 1 FON3C17H20 ABC3D17E20 2.75 4.23 -8.87 -0.67 0
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309911 126566540 1 ClON3C19H26 ABC3D19E26 -0.56 2.78 -8.92 -0.75 0
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309912 126566708 2 ClNC5H8 ABC5D8 -39.06 6.06 -10.04 -0.48 0
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309913 126566790 2 OC5H11 AB5C11 -119.1 1.25 -9.47 2.2 0
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309914 126566835 1 O4C29H32 A4B29C32 -128.59 3.18 -9.41 -0.5 0
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309915 126566917 1 O3C23H36 A3B23C36 -166.99 4.66 -9.82 -0.61 0
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309916 126566934 1 S4N15O18C41H45 A4B15C18D41E45 -512.55 7.83 -9.77 -2.28 0
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309917 126566986 1 F3N4O4H27C28 A3B4C4D27E28 -226.93 3.72 -9.05 -0.91 0
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309918 126567013 1 F3N3O4H14C21 A3B3C4D14E21 -215.1 6.73 -9.17 -1.47 0
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309919 126567112 1 FO2N6C38H39 AB2C6D38E39 47.65 5.55 -8.27 -1.64 0
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309920 126567301 1 ClSO2N5C26H36 ABC2D5E26F36 -69.0 5.16 -8.66 -0.78 0
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309921 126567415 1 FN3O3C16H20 AB3C3D16E20 -110.03 5.46 -9.53 -0.99 0
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309922 126567446 1 FN2O3C27H27 AB2C3D27E27 -42.54 6.84 -8.76 -0.82 2
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309923 126567536 1 P2N10O13C21H26 A2B10C13D21E26 -432.06 17.58 -8.7 -1.43 0
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309924 126567562 1 ClF2N5O6H22C23 AB2C5D6E22F23 -270.7 6.76 -9.5 -1.16 2
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309925 126567650 1 P2N10O13C20H24 A2B10C13D20E24 -404.0 20.61 -8.45 -2.42 1
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309926 126567781 1 FSP2N11O14C55H55 ABC2D11E14F55G55 -404.47 14.61 0.0 0.0 0