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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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222467 85300828 6 OC3H4 AB3C4 -226.61 2.8 -8.64 0.21 0
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222468 85300830 1 N2O3C20H20 A2B3C20D20 -37.49 7.36 -9.57 -0.75 0
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222469 85300831 1 O2N4C19H20 A2B4C19D20 31.44 3.61 -8.25 -1.64 0
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222470 85300833 2 H12C13 A12B13 119.48 0.42 -8.84 0.14 0
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222471 85300834 1 SO3C19H28 AB3C19D28 -135.79 7.54 -9.87 -0.22 0
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222472 85300836 1 ClISiO3C7H14 ABCD3E7F14 -221.15 3.56 -9.82 -1.01 0
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222473 85300839 1 NO6C17H23 AB6C17D23 -197.05 3.88 -10.28 -0.44 0
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222475 85300842 1 ON5C19H23 AB5C19D23 24.44 2.86 -8.61 -0.21 0
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222476 85300843 1 NSO4C17H23 ABC4D17E23 -135.05 7.42 -8.81 -0.29 0
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222477 85300849 1 N2O3C20H22 A2B3C20D22 6.83 9.06 -9.09 -0.32 0
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222478 85300855 1 OC23H46 AB23C46 -142.15 2.18 -9.57 1.34 0
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222479 85300856 2 OSiC9H17 ABC9D17 -153.46 0.67 -8.78 0.69 0
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222480 85300857 1 ClFN2O4H12C15 ABC2D4E12F15 -130.47 5.67 -9.64 -0.69 2
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222482 85300865 1 ClNSC8O9H18 ABCD8E9F18 -246.32 14.7 -11.21 -2.75 0
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222483 85300869 1 O4C21H24 A4B21C24 -134.01 1.5 -9.36 -0.13 0
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222484 85300876 1 ClON2F3H12C16 ABC2D3E12F16 -145.66 6.79 -9.16 -0.85 0
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222485 85300892 1 SF3O5C13H17 AB3C5D13E17 -343.0 3.95 -8.87 -1.2 0
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222486 85300904 1 ClN2O3H15C18 AB2C3D15E18 -60.28 4.52 -9.86 -1.02 0
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222487 85300906 1 NO4C20H25 AB4C20D25 -159.8 4.0 -9.4 -0.6 0
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222488 85300909 1 NSH21C23 ABC21D23 77.84 0.87 -8.94 -0.25 0
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222489 85300910 1 NSiO3C18H37 ABC3D18E37 -221.5 2.9 -8.63 0.49 1
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222490 85300912 1 MoO2H12C17 AB2C12D17 88.97 4.82 -8.33 -0.22 0
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222491 85300913 1 O6C19H20 A6B19C20 -175.2 2.73 -8.83 -0.56 0
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222492 85300915 1 O7C17H28 A7B17C28 -272.15 2.13 -9.64 1.14 0
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222493 85300916 1 SO6C16H24 AB6C16D24 -267.95 6.77 -10.29 -0.75 0
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222494 85300917 1 SO4C19H20 AB4C19D20 -113.13 8.12 -8.93 -0.33 0
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222495 85300920 1 O4C21H28 A4B21C28 -148.43 2.81 -9.71 -0.34 0
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222496 85300922 1 SO3C20H24 AB3C20D24 -66.5 6.17 -8.51 -0.12 0
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222497 85300924 2 NC12H14 AB12C14 54.73 3.2 -8.75 0.14 0
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222498 85300925 4 OC5H10 AB5C10 -267.03 3.84 -10.45 0.28 0
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222499 85300926 1 O2C23H36 A2B23C36 -114.0 1.87 -8.87 0.39 0
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222500 85300930 1 NOSH19C22 ABCD19E22 95.48 0.81 -8.91 -0.63 0
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222501 85300931 1 NSO2C20H27 ABC2D20E27 -86.92 2.05 -9.18 -0.43 0
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222502 85300934 1 C17H21 A17B21 48.49 0.75 0.0 0.0 0
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222503 85300942 1 O3C22H34 A3B22C34 -108.22 2.61 -9.02 0.61 0
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222504 85300945 2 S2C8H13 A2B8C13 37.27 1.63 -8.24 0.06 0
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222505 85300947 1 OCl2N4C15H24 AB2C4D15E24 -71.81 8.73 -8.1 -0.11 0
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222506 85300952 1 FN2O5C17H19 AB2C5D17E19 -249.37 5.43 -10.23 -0.97 0
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222507 85300953 1 N2O6C17H20 A2B6C17D20 -151.14 5.16 -10.09 -1.71 0
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222508 85300958 1 SiO2C21H36 AB2C21D36 -160.65 1.73 -8.74 0.78 0
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222509 85300960 1 NO4H19C21 AB4C19D21 -74.34 3.67 -9.07 -0.79 0
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222510 85300980 1 NO5C19H29 AB5C19D29 -228.32 4.76 -9.42 0.41 0
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222511 85301071 1 O7C19H20 A7B19C20 -254.05 3.47 -8.47 -0.06 0
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222512 85301111 1 NSSiO3C18H25 ABCD3E18F25 -127.63 4.89 -9.11 -0.39 0
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222513 85301149 1 SN2O6C16H20 AB2C6D16E20 -225.48 9.35 -8.14 -0.29 0
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222515 85301151 1 O5C22H24 A5B22C24 -164.92 3.06 -9.22 -0.58 0
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222516 85301160 1 NPF3O4C16H19 ABC3D4E16F19 -392.42 4.86 -9.81 -0.05 0
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222517 85305359 1 N2O5C18H28 A2B5C18D28 -237.51 4.36 -9.93 -0.41 0
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222518 85305360 1 N2O3C21H24 A2B3C21D24 -52.97 3.17 -8.7 -0.34 0
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222519 85305365 1 OC25H36 AB25C36 -68.56 1.47 -8.72 0.57 0