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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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229835 87569329 1 O6C25H32 A6B25C32 -141.54 4.04 -8.61 -0.06 0
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229836 87569330 1 FeSO4C12H14 ABC4D12E14 3.43 5.52 -6.69 -1.34 0
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229837 87569333 1 ClNOSC10H16 ABCDE10F16 -29.64 2.93 -9.03 -1.16 0
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229838 87569334 1 SO3N4F6H16C25 AB3C4D6E16F25 -277.08 5.86 -9.54 -1.98 0
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229839 87569336 1 O2N3F6H19C25 A2B3C6D19E25 -318.59 9.74 -9.97 -1.0 0
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229840 87569337 1 ClFN3O3C21H21 ABC3D3E21F21 -33.88 3.49 -9.45 -0.51 0
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229841 87569340 1 NSO3C12H21 ABC3D12E21 -49.27 11.15 -7.4 -0.28 -1
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229842 87569342 1 SC2O2N3H4 AB2C2D3E4 47.36 1.67 0.0 0.0 -6
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229844 87569347 1 N3O6C35H49 A3B6C35D49 -173.33 7.16 -8.12 -0.75 0
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229845 87569349 2 O2C12H23 A2B12C23 -267.01 7.98 -10.36 0.59 0
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229846 87569353 1 F2N3O3C21H21 A2B3C3D21E21 -75.02 3.15 -9.24 -0.28 0
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229847 87569356 1 FS2N4O5C24H25 AB2C4D5E24F25 -182.55 6.17 -8.89 -1.22 0
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229848 87569357 1 BrClOH6C8 ABCD6E8 -8.59 1.53 -9.06 -0.63 0
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229849 87569360 1 ClF2N3O5C24H28 AB2C3D5E24F28 -296.01 4.78 -8.41 -1.36 0
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229850 87569361 1 N3O3H23C26 A3B3C23D26 -22.92 3.57 -8.7 -0.56 0
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229851 87569362 1 NF3O3C18H20 AB3C3D18E20 -252.35 3.09 -9.9 -0.79 0
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229852 87569363 1 FSiN4O4C22H31 ABC4D4E22F31 -199.39 4.65 -8.8 -1.06 0
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229853 87569368 1 FSO3N7C18H18 ABC3D7E18F18 -25.9 6.56 -8.95 -1.17 0
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229854 87569369 1 SO3N5C26H35 AB3C5D26E35 -39.75 3.66 -8.78 -0.9 0
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229855 87569370 1 SO3N5C26H35 AB3C5D26E35 -38.99 7.17 -8.77 -0.88 -1
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229856 87569373 1 ClSO4N5C24H33 ABC4D5E24F33 -56.99 5.48 0.0 0.0 0
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229857 87569374 1 S2O7N12C52H54 A2B7C12D52E54 -99.51 3.16 -8.52 -1.51 0
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229858 87569377 1 O3N6C15H20 A3B6C15D20 -60.13 5.16 -9.09 -1.25 0
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229859 87569380 1 BrNF3O3H9C13 ABC3D3E9F13 -142.37 3.49 -10.44 -1.26 0
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229860 87569384 1 Cl2S2N4O7C29H36 A2B2C4D7E29F36 -286.67 4.89 -9.29 -1.04 0
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229861 87569385 1 Cl2S2N4O7C29H36 A2B2C4D7E29F36 -278.32 1.2 -8.57 -1.4 0
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229862 87569387 1 Cl2N2O3H10C18 A2B2C3D10E18 -10.15 3.72 -9.76 -1.82 0
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229863 87569388 1 SN2O4C16H22 AB2C4D16E22 -165.82 4.08 -8.65 -0.78 0
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229864 87569389 1 N3Cl4O14C56H83 A3B4C14D56E83 -663.56 9.84 -8.88 -0.66 0
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229865 87569390 1 OSCl2N4C27H30 ABC2D4E27F30 36.95 6.31 -8.61 -1.11 0
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229866 87569391 1 NCl3H6C7 AB3C6D7 -3.48 4.37 -9.98 -1.12 0
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229867 87569392 1 OBr2N6H10C13 AB2C6D10E13 72.4 5.8 -9.24 -1.37 0
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229868 87569408 1 NO8C30H35 AB8C30D35 -221.39 6.84 -8.41 -0.22 0
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229869 87569410 1 S2N3O3C21H25 A2B3C3D21E25 -62.52 7.46 -9.19 -0.76 0
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229870 87569411 1 N3O6C28H43 A3B6C28D43 -179.52 8.4 -7.98 -0.45 0
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229871 87569417 1 SN4C12H18 AB4C12D18 38.22 3.06 -8.04 -0.21 0
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229872 87569418 1 O4C15H28 A4B15C28 -233.7 5.54 -10.6 0.48 0
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229873 87569419 1 O4C21H40 A4B21C40 -260.59 8.39 -10.62 0.56 0
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229874 87569421 1 SO5C7H14 AB5C7D14 -180.78 6.32 -9.76 0.07 0
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229875 87569422 1 ClFON4H12C15 ABCD4E12F15 16.18 4.54 -9.04 -1.56 -2
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229877 87569425 1 ClO3N5C31H42 AB3C5D31E42 -120.01 8.17 -8.94 -0.72 0
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229878 87569426 1 O4C17H32 A4B17C32 -237.98 6.5 -10.56 0.0 0
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229879 87569427 1 N3O6C31H51 A3B6C31D51 -223.08 6.65 -8.02 -0.77 0
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229880 87569430 1 N2Cl3O3C10H11 A2B3C3D10E11 -59.76 9.46 -9.79 -1.43 0
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229881 87569431 1 O3H38C39 A3B38C39 10.01 2.42 -8.64 -0.76 0
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229882 87569433 1 FNCl2H2O2C6 ABC2D2E2F6 -101.08 4.71 -10.8 -2.04 0
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229883 87569434 2 BrOC5H5 ABC5D5 -44.05 3.15 -8.71 -0.74 0
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229884 87569436 1 O2Cl3H9C12 A2B3C9D12 -54.4 3.59 -9.82 -0.95 0
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229885 87569437 1 NC5O5H9 AB5C5D9 -235.85 6.35 -11.16 -0.35 0
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229886 87569439 1 ClNC11H14 ABC11D14 15.46 2.89 -9.48 0.24 0
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229887 87569440 1 Cl2O2N3C22H27 A2B2C3D22E27 -10.3 3.45 -8.0 -0.6 0
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229888 87569445 1 OC56H86 AB56C86 -39.37 1.35 -8.68 0.08 0
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229889 87569446 2 O2C8H15 A2B8C15 -238.02 6.21 -10.7 0.58 0
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229890 87569453 1 N2O2S2C9H16 A2B2C2D9E16 -79.17 7.68 -9.08 -0.72 0
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229891 87569454 1 O4C19H36 A4B19C36 -252.39 6.64 -10.67 0.61 0
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229892 87569455 1 ClO2N5H14C16 AB2C5D14E16 16.17 3.52 -9.17 -1.4 0
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229893 87569457 1 N3O3H21C23 A3B3C21D23 23.63 4.62 -8.6 -1.13 1
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229894 87569459 1 PN3O9C12H31 AB3C9D12E31 -432.33 8.41 0.0 0.0 0
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229895 87569460 1 OSF3N3C21H22 ABC3D3E21F22 -149.04 5.24 -8.98 -0.9 0
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229896 87569461 2 O2C9H13 A2B9C13 -139.74 2.56 -9.28 -0.54 0
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229897 87569462 1 ClSN3O3F6H14C22 ABC3D3E6F14G22 -313.28 6.07 -9.9 -1.94 0
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229898 87569469 1 SH10C14 AB10C14 83.43 1.73 -8.63 -1.17 0
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229899 87569475 1 S2F6H6O6C9 A2B6C6D6E9 -501.81 4.99 -10.07 -1.74 0
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229900 87569476 2 OC7H14 AB7C14 -154.43 1.84 -10.63 0.85 0
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229901 87569482 2 O2C7H13 A2B7C13 -227.44 3.29 -10.79 0.75 0
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229902 87569483 1 SCl2O3N5H13C16 AB2C3D5E13F16 -41.5 12.68 -9.17 -1.31 0
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229903 87569484 1 O3C25H42 A3B25C42 -197.8 4.77 -8.62 0.2 0
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229904 87569485 1 BSi3C9Cl9H18 AB3C9D9E18 -384.44 4.2 -9.89 -0.8 0
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229905 87569486 1 NO3H19C20 AB3C19D20 -49.78 1.45 -9.12 -1.7 0
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229906 87569487 1 SN4O5C34H42 AB4C5D34E42 -115.86 10.65 -8.88 -1.08 0
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229907 87569488 1 NO2S2H13C14 AB2C2D13E14 -42.15 9.19 -8.45 -1.4 0
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229908 87569490 1 O3C7H10 A3B7C10 -94.92 3.79 -9.31 -0.18 0
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229909 87569491 1 O2N3C19H29 A2B3C19D29 -28.21 3.63 -8.1 0.05 0
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229910 87569493 1 PN2O5C11H27 AB2C5D11E27 -323.89 1.62 -8.46 0.57 0
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229911 87569494 1 NS2O4H13C14 AB2C4D13E14 -69.25 7.17 -9.12 -1.53 0