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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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13780 398059 1 PO4N5C9H14 AB4C5D9E14 -163.21 3.71 -8.86 -0.28 0
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13781 398098 1 OCl2N2C20H29 AB2C2D20E29 -46.98 4.44 0.0 0.0 1
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13782 398148 1 O2N5C11H17 A2B5C11D17 -15.84 3.94 -8.63 -0.68 0
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13783 398169 1 SN2O3H16C18 AB2C3D16E18 -27.51 4.86 -9.22 -1.16 0
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13784 398176 1 N3C21H22 A3B21C22 120.02 1.25 0.0 0.0 1
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13785 398188 1 O2S2N3H23C27 A2B2C3D23E27 103.98 8.18 -8.13 -1.93 0
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13786 398190 1 Cl2N2O6H12C15 A2B2C6D12E15 -52.92 2.72 -9.66 -1.56 0
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13787 398192 1 F6O6C27H28 A6B6C27D28 -533.09 4.52 -9.46 -1.14 0
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13788 398285 1 OSN3H17C21 ABC3D17E21 56.82 2.64 -8.4 -0.9 0
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13789 398292 1 O3N4H16C17 A3B4C16D17 -37.7 3.58 -8.5 -0.77 0
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13790 398299 1 O2F3N3H12C16 A2B3C3D12E16 -163.17 4.63 -8.89 -1.33 0
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13791 398300 1 O2N3H13C15 A2B3C13D15 -2.36 3.43 -8.74 -0.7 0
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13792 398305 1 N3O3C14H17 A3B3C14D17 -61.89 3.73 -8.75 -0.07 0
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13793 398306 1 O2N3H13C15 A2B3C13D15 -15.32 6.0 -8.34 -0.7 0
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13794 398307 1 O3N5C18H19 A3B5C18D19 -45.04 4.56 -8.4 -0.63 0
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13795 398332 1 N2O2C17H18 A2B2C17D18 -51.1 4.56 -8.51 -0.5 0
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13796 398384 1 SN2O3C23H32 AB2C3D23E32 -151.57 4.49 -8.67 -0.43 0
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13797 398386 1 NOSC17H19 ABCD17E19 -5.72 3.03 -8.58 -0.36 0
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13798 398387 1 NOSC15H17 ABCD15E17 -20.93 5.18 -8.8 -0.62 0
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13799 398399 1 N2O5C15H26 A2B5C15D26 -261.76 4.82 -9.47 0.29 0
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13800 398400 1 N2O5C14H24 A2B5C14D24 -255.49 5.8 -9.82 0.44 0
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13801 398404 2 NO3C9H15 AB3C9D15 -287.92 2.42 -9.11 -1.24 0
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13802 398467 1 SN2O3C21H22 AB2C3D21E22 -67.89 7.38 -9.17 -0.87 0
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13803 398490 2 S2N4H5C7 A2B4C5D7 223.23 8.12 -9.38 -2.36 0
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13804 398509 2 ON2S3H7C11 AB2C3D7E11 59.51 0.63 -8.56 -0.97 0
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13805 398517 1 SO3N4C21H22 AB3C4D21E22 -20.11 13.37 -7.76 -1.23 0
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13806 398518 1 S2O5C14H22 A2B5C14D22 -225.31 2.92 -8.84 -1.63 0
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13807 398519 1 SO3C15H20 AB3C15D20 -133.56 4.54 -9.0 -0.82 0
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13808 398527 1 BrN3O3C10H10 AB3C3D10E10 -112.69 5.96 -9.61 -1.31 0
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13809 398528 1 ClNO3C11H12 ABC3D11E12 -120.25 3.99 -9.32 -0.72 0
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13810 398540 1 SO3N4C15H22 AB3C4D15E22 -113.18 2.28 -8.61 -0.55 0
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13811 398546 1 FN4O6C9H11 AB4C6D9E11 -187.39 5.16 -10.77 -1.67 0
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13812 398593 1 BrN3C12H28 AB3C12D28 -30.97 1.09 -8.65 1.25 0
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13813 398662 1 ClON3C23H32 ABC3D23E32 -59.41 7.57 -8.44 0.06 0
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13814 398698 1 NSO7C27H29 ABC7D27E29 -196.88 3.07 -8.44 -1.09 0
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13815 398742 1 N3C8H19 A3B8C19 -1.66 3.78 -8.41 2.81 0
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13816 398747 2 NO2S2C11H12 AB2C2D11E12 -118.37 6.64 -8.55 -0.99 0
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13817 398773 1 NO3C13H15 AB3C13D15 -111.11 4.54 -9.14 -0.32 0
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13818 398774 1 NO4C11H11 AB4C11D11 -130.47 4.92 -9.29 -0.23 0
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13819 398826 1 ClN2O5C17H23 AB2C5D17E23 -201.23 2.61 -8.93 -1.37 0
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13820 398853 1 NO2C17H23 AB2C17D23 -52.4 2.04 -7.96 0.26 0
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13821 398903 1 SCl2O2N7H11C13 AB2C2D7E11F13 86.55 6.69 -8.65 -1.58 0
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13822 398921 1 SBr2O3H6C7 AB2C3D6E7 -85.86 3.63 -9.91 -1.27 0
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13823 398923 1 OSBr2Cl2H2C7 ABC2D2E2F7 5.69 3.92 -10.02 -1.63 0
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13824 398959 1 O3N6C22H26 A3B6C22D26 -21.49 4.67 -8.02 -0.84 0
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13825 398983 1 O15C28H36 A15B28C36 -607.54 8.87 -8.91 -1.12 0
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13826 399002 1 ClON5C13H14 ABC5D13E14 -1.97 7.42 -9.32 -1.06 0
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13827 399047 1 SN3O3H9C11 AB3C3D9E11 -1.81 11.36 -8.72 -1.2 0
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13828 399064 1 ClN2O3H15C22 AB2C3D15E22 11.56 2.23 -9.26 -1.54 0
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13829 399180 1 O10C37H58 A10B37C58 -464.06 5.04 -9.64 0.25 0
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13830 399232 1 NSO3C8H9 ABC3D8E9 -97.4 6.11 -9.46 -0.91 0
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13831 399255 1 S5H6C7 A5B6C7 27.9 4.24 -8.74 -2.03 0
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13832 399268 1 SO7H10C15 AB7C10D15 -200.9 11.73 -9.02 -1.63 0
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13833 399278 1 PN2O7C14H17 AB2C7D14E17 -320.45 4.96 -9.36 -0.45 0
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13834 399288 2 OSN2C7H8 ABC2D7E8 15.59 2.16 -8.64 -0.97 0
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13835 399289 1 S2O3N4C16H18 A2B3C4D16E18 -30.02 1.82 -8.94 -0.84 0
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13836 399290 1 ClS2O3N4H19C21 AB2C3D4E19F21 -3.15 8.7 -8.92 -1.09 0
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13837 399314 1 BrSN2O2H13C15 ABC2D2E13F15 -10.58 7.07 -8.97 -0.74 0
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13838 399317 1 ClSN2O2C18H19 ABC2D2E18F19 -39.9 1.88 -9.16 -0.73 0
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13839 399319 1 BrSN2O2H15C20 ABC2D2E15F20 15.65 5.82 -9.0 -0.82 0
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13840 399320 1 ClNOSC17H18 ABCDE17F18 -17.68 2.3 -8.93 -0.63 0
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13841 399344 1 S2O4N5H26C27 A2B4C5D26E27 -41.07 12.14 0.0 0.0 1
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13842 399346 1 S2O4N5C29H30 A2B4C5D29E30 -63.41 7.36 0.0 0.0 1
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13843 399347 1 BrS2N5O6C29H30 AB2C5D6E29F30 -172.82 9.62 -7.48 -1.25 0
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13844 399348 1 S2N5O6C29H30 A2B5C6D29E30 -129.56 8.25 0.0 0.0 1
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13845 399349 1 BrS2O4N5H28C31 AB2C4D5E28F31 -38.52 16.44 -7.23 -1.77 0
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13846 399350 1 S2O4N5H28C31 A2B4C5D28E31 -19.99 7.57 0.0 0.0 1
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13847 399351 1 BrS2N4O5C28H29 AB2C4D5E28F29 -119.93 8.27 -8.18 -1.15 0
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13848 399352 1 S2N4O5C28H29 A2B4C5D28E29 -101.83 9.18 0.0 0.0 1
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13849 399353 1 BrS2N4O5C28H29 AB2C4D5E28F29 -78.44 15.06 -8.74 -1.53 0
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13850 399354 1 S2N4O5C28H29 A2B4C5D28E29 -78.08 6.83 0.0 0.0 1
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13851 399359 1 BrSN2O4C23H29 ABC2D4E23F29 -160.81 11.43 -7.71 -1.13 0
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13852 399362 2 N2O3C11H21 A2B3C11D21 -233.4 6.26 -7.37 0.02 0
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13853 399364 2 N2O3C16H24 A2B3C16D24 -234.74 7.4 -8.46 0.0 0
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13854 399374 1 O29C56H92 A29B56C92 -1352.35 6.86 -10.02 0.25 0
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13855 399381 1 ClON5C19H26 ABC5D19E26 -16.64 1.77 -8.95 -0.29 0
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13856 399389 1 SO2N4H12C17 AB2C4D12E17 67.96 9.58 -8.65 -1.54 0
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13857 399403 1 SO7N12C46H56 AB7C12D46E56 -191.26 9.51 -8.36 -0.46 0
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13858 399407 1 NSO3H11C12 ABC3D11E12 -87.16 4.76 -9.6 -1.14 0
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13859 399411 1 NH13C17 AB13C17 97.68 2.08 -7.75 -1.06 0
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13860 399433 1 ON2H16C22 AB2C16D22 81.22 0.94 -9.15 -0.72 0
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13861 399434 1 S3O4H8C9 A3B4C8D9 -76.95 7.07 -9.82 -1.91 0
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13862 399435 1 S2H7C9 A2B7C9 55.01 1.73 0.0 0.0 1
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13863 399436 1 N2C11H14 A2B11C14 77.01 2.53 -9.26 0.25 0
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13864 399437 2 NC6H8 AB6C8 71.19 2.56 -9.21 0.32 0
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13866 399454 1 Cl2N3O3C16H17 A2B3C3D16E17 23.86 6.69 -8.96 -1.62 0
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13867 399456 1 N2O3C15H18 A2B3C15D18 -47.3 8.61 -8.95 -0.5 0
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13869 399471 1 SO2N5C15H15 AB2C5D15E15 48.47 5.69 -8.42 -1.3 0
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13870 399481 1 N3C17H21 A3B17C21 37.56 2.64 -8.67 -0.46 0
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13871 399482 1 N3O4C22H27 A3B4C22D27 -127.43 4.93 -8.66 -1.82 0
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13872 399488 2 O3C15H16 A3B15C16 -217.74 2.1 -8.87 -0.91 0
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13873 399491 2 O3H9C10 A3B9C10 -210.34 5.56 -9.08 -1.14 0
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13874 399493 2 O2C15H25 A2B15C25 -257.56 4.21 -9.34 0.7 0
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13875 399502 1 NS2O10C18H23 AB2C10D18E23 -384.66 5.23 -8.48 -0.91 0
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13876 399515 1 NOS2H15C23 ABC2D15E23 92.28 0.95 -8.1 -1.09 0
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13877 399516 1 NOS2H13C21 ABC2D13E21 80.06 0.83 -8.11 -1.03 0
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13878 399534 1 OSN2H3C5F7 ABC2D3E5F7 -386.59 6.19 -10.56 -1.73 0
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13879 399540 1 N2O4H20C21 A2B4C20D21 -56.44 3.32 -8.47 -0.88 0
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13880 399556 1 N4H20C23 A4B20C23 122.25 4.82 -7.97 -0.25 0
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13881 399565 1 SN4O5H26C27 AB4C5D26E27 -63.23 6.2 -8.22 -0.76 0