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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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
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229912 87569495 1 NS2O4H13C14 AB2C4D13E14 -72.71 6.9 -9.0 -1.56 0
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229913 87569497 1 ON2C38H78 AB2C38D78 -215.08 4.31 -9.07 1.28 0
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229915 87569502 1 O2N3F6H25C29 A2B3C6D25E29 -329.03 5.23 -9.26 -1.24 0
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229916 87569504 1 SO7C13H16 AB7C13D16 -271.17 8.97 -10.46 -0.88 0
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229917 87569505 1 NO7C29H33 AB7C29D33 -175.95 2.26 -8.35 -0.6 0
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229918 87569508 1 NO7C29H33 AB7C29D33 -206.84 1.11 -8.87 -0.23 0
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229919 87569512 1 O2F7N8H19C24 A2B7C8D19E24 -278.78 5.38 -9.0 -0.95 0
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229920 87569514 2 O2C11H21 A2B11C21 -259.34 3.81 -10.62 0.38 0
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229921 87569516 1 O7H34C36 A7B34C36 -140.41 3.21 -8.57 -1.07 0
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229922 87569521 1 NO2C23H27 AB2C23D27 26.28 8.07 -8.11 -0.57 0
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229923 87569522 12 CSH2 ABC2 47.58 1.98 -8.69 -0.46 0
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229924 87569524 1 NaSO4C12H12 ABC4D12E12 -109.07 7.11 0.0 0.0 0
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229925 87569532 1 SO4N6C25H34 AB4C6D25E34 -12.22 9.1 -8.76 -1.41 0
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229926 87569538 1 N2S2Cl3O3H13C16 A2B2C3D3E13F16 -62.38 3.97 -8.79 -0.78 0
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229927 87569540 1 BrNF2O2C9H14 ABC2D2E9F14 -216.61 4.71 -9.86 -0.27 0
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229928 87569541 1 NSi2O3Cl4C6H17 AB2C3D4E6F17 -375.54 5.11 -8.92 -1.35 0
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229931 87569570 1 N4O6C9H10 A4B6C9D10 -75.31 5.68 -9.93 -2.02 0
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229932 87569573 1 FN5O6C22H26 AB5C6D22E26 -182.65 5.0 -8.57 -1.66 0
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229933 87569578 1 S3N4C21H30 A3B4C21D30 66.4 7.43 -8.26 -0.73 0
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229934 87569581 2 O2C13H25 A2B13C25 -272.36 1.65 -10.54 -0.09 0
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229935 87569584 1 BrOF4N4H19C23 ABC4D4E19F23 -132.07 6.32 -9.92 -1.3 0
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229936 87569589 1 SCl2O2N3H9C11 AB2C2D3E9F11 -1.16 3.32 -8.5 -1.76 0
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229937 87569591 1 SCl2O2N3H7C11 AB2C2D3E7F11 4.5 7.0 -9.56 -2.04 0
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229938 87569592 1 NOC24H31 ABC24D31 3.88 3.82 -8.31 0.16 -3
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229940 87569594 1 ClNSiO2C25H55 ABCD2E25F55 -251.26 2.39 0.0 0.0 0