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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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227673 87562204 2 NOH3C4 ABC3D4 -38.18 6.39 -9.08 -0.76 0
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227674 87562205 1 ClPK2S2N5O5H21C25 ABC2D2E5F5G21H25 -263.42 5.92 -6.76 -0.68 0
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227675 87562207 1 SN2O3F6H18C21 AB2C3D6E18F21 -363.21 4.81 -9.47 -1.63 0
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227676 87562208 1 SN2O3F6H18C21 AB2C3D6E18F21 -362.62 5.03 -9.35 -1.5 0
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227677 87562211 1 O2C9H20 A2B9C20 -103.69 2.98 -9.9 1.32 0
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227680 87562214 1 ClNPSF2O4H17C21 ABCDE2F4G17H21 -255.19 4.39 -8.85 -0.92 0
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227681 87562217 1 BrNO15C29H56 ABC15D29E56 -634.87 5.36 -10.11 -0.88 0
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227682 87562218 1 N2S2O4H12C15 A2B2C4D12E15 -100.17 5.25 -9.44 -1.39 0
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227683 87562221 1 N3O3C14H15 A3B3C14D15 -75.67 2.92 -8.78 -0.6 0
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227684 87562223 1 NP2S2C12H29 AB2C2D12E29 -169.52 4.11 -8.74 0.23 0
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227685 87562224 1 O2N5H19C25 A2B5C19D25 62.37 5.02 -8.8 -1.38 0
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227686 87562225 1 SiO3N5C31H33 AB3C5D31E33 -24.91 10.18 -8.52 -0.95 0
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227687 87562230 1 IO5F6N7C36H42 AB5C6D7E36F42 -435.5 3.62 -8.94 -1.54 0
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227688 87562233 1 CaN3O3C6H13 AB3C3D6E13 -124.57 16.48 -7.49 -2.34 0
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227689 87562235 1 N2O5C12H14 A2B5C12D14 -167.87 4.41 -10.16 -0.72 0
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227690 87562238 1 N5O5F6H19C27 A5B5C6D19E27 -361.54 17.83 -8.39 -1.85 0
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227691 87562239 1 ON5H17C23 AB5C17D23 109.04 7.64 -8.37 -1.31 0
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227692 87562242 2 O2C13H20 A2B13C20 -137.72 5.23 -9.46 0.22 0
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227693 87562245 1 NO3C28H49 AB3C28D49 -156.99 6.18 -9.04 0.85 0
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227694 87562247 1 F3O4C11H11 A3B4C11D11 -296.01 3.05 -9.57 -0.53 0
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227695 87562249 1 O2N4H16C17 A2B4C16D17 25.21 1.79 -8.53 -1.09 0
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227696 87562250 1 O8C59H116 A8B59C116 -617.4 6.62 -10.46 0.52 0
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227697 87562251 1 ClN2O3C11H15 AB2C3D11E15 -123.85 6.21 -9.75 -0.84 0
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227698 87562253 1 N3O4H19C22 A3B4C19D22 9.07 5.16 -9.09 -1.16 0
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227699 87562254 1 ClN3C26H34 AB3C26D34 45.41 2.43 -8.39 -0.09 0
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227700 87562255 1 N3C26H33 A3B26C33 91.66 2.36 -8.53 -0.1 0
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227701 87562256 1 NO6C7H13 AB6C7D13 -272.54 12.41 -9.56 -0.28 0
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227702 87562262 1 SN2O3F6H16C21 AB2C3D6E16F21 -330.73 4.05 -9.38 -1.54 0
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227703 87562264 1 NaN2O2C22H39 AB2C2D22E39 -149.15 7.99 -8.14 0.42 0
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227704 87562265 1 AsO2N3H26C27 AB2C3D26E27 73.8 4.1 -6.74 -1.26 0
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227705 87562267 2 SO2N4C11H13 AB2C4D11E13 -39.3 5.32 -9.23 -1.15 0
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227706 87562270 1 F2O3N7C28H37 A2B3C7D28E37 -139.97 7.22 -8.76 -0.87 0
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227707 87562271 1 FNO2H16C20 ABC2D16E20 2.78 4.71 -8.79 -0.88 0
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227708 87562275 1 FN2O3H5C9 AB2C3D5E9 -96.54 1.96 -10.17 -1.4 0
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227709 87562278 1 FON6C22H27 ABC6D22E27 -21.17 4.12 -8.34 -0.58 0
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227710 87562279 1 FN6C22H29 AB6C22D29 24.48 2.68 -8.22 -0.46 0
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227711 87562280 1 ClSO3N5H12C20 ABC3D5E12F20 94.47 6.78 -9.4 -2.23 0
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227712 87562282 1 ClFN2O3H10C11 ABC2D3E10F11 -125.7 7.48 -9.86 -1.16 0
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227713 87562285 1 NO5C23H35 AB5C23D35 -118.14 3.5 -8.46 -0.28 0
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227714 87562286 1 O5C22H28 A5B22C28 -94.78 1.03 -8.86 -0.48 0
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227715 87562287 1 PPdC42H64 ABC42D64 53.63 8.35 0.0 0.0 0
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227716 87562292 1 NF3O3C14H16 AB3C3D14E16 -240.92 2.81 -10.22 -0.73 0
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227717 87562295 1 SF3O4N5C34H42 AB3C4D5E34F42 -317.01 10.17 -8.5 -0.62 0
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227718 87562297 2 NO2C10H18 AB2C10D18 -214.57 2.1 -9.9 0.01 0
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227719 87562298 1 O3H16C18 A3B16C18 -46.19 4.11 -8.63 -0.84 0
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227720 87562302 2 NOH6C8 ABC6D8 9.4 5.24 -8.63 -1.21 0
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227721 87562309 1 NP2S2C80H165 AB2C2D80E165 -504.49 7.28 -8.81 0.21 0
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227722 87562312 3 N2O5C10H18 A2B5C10D18 -753.01 11.18 -9.99 -0.34 0
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227723 87562313 1 BBr2C2H5 AB2C2D5 -37.3 2.12 -10.31 -0.83 0
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227724 87562318 1 BrSSiO4C15H23 ABCD4E15F23 -145.07 6.14 -7.98 -0.05 0
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227725 87562319 1 SN3O4C19H21 AB3C4D19E21 -72.84 7.48 -8.58 -1.23 0
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227726 87562320 2 Cl2N6O6H15C20 A2B6C6D15E20 -242.06 4.65 -9.47 -2.12 0
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227727 87562321 1 ClON4H11C14 ABC4D11E14 34.9 4.53 -9.04 -1.22 0
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227728 87562322 1 ClN4H13C14 AB4C13D14 76.35 4.96 -8.86 -0.82 1
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227729 87562325 1 F2N2O3H5C9 A2B2C3D5E9 -125.02 7.21 0.0 0.0 0
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227730 87562326 1 F2N2O3H4C9 A2B2C3D4E9 -118.93 6.52 -9.88 -1.01 1
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227731 87562327 1 F2N2O3H5C9 A2B2C3D5E9 -119.57 2.36 0.0 0.0 0
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227732 87562329 1 NP2S2C88H181 AB2C2D88E181 -539.98 9.06 -8.66 0.23 0
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227733 87562346 1 NO3C5H9 AB3C5D9 -126.55 8.17 -10.16 0.05 0
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227734 87562348 1 NO3C5H9 AB3C5D9 -125.98 3.63 -9.31 -0.09 0
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227735 87562358 1 F3N3O4C16H18 A3B3C4D16E18 -217.6 5.91 -8.92 -0.94 0
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227736 87562361 1 OSN2C4H4 ABC2D4E4 45.74 2.39 -9.41 -0.94 0
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227737 87562362 1 SSiO3C10H19 ABC3D10E19 -106.47 2.78 0.0 0.0 0
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227738 87562363 1 SSiO3C10H22 ABC3D10E22 -244.02 4.07 -8.13 0.55 0
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227739 87562365 1 ClO2N3H12C19 AB2C3D12E19 73.74 2.43 -9.38 -1.56 0
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227740 87562366 1 N3O4C9H17 A3B4C9D17 -179.69 4.88 -9.18 0.06 0
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227741 87562367 1 ClO3N5H18C19 AB3C5D18E19 -15.62 4.38 -9.8 -0.76 0
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227742 87562368 1 BrO2N6C17H21 AB2C6D17E21 -11.57 2.81 -8.97 -0.92 0
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227743 87562369 1 BrSiO2N4C29H29 ABC2D4E29F29 24.93 4.36 -8.65 -1.39 0
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227744 87562370 1 ClO2N3C11H12 AB2C3D11E12 -29.19 4.01 -9.2 -0.92 0
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227745 87562372 1 FO3H13C15 AB3C13D15 -49.24 1.57 -9.05 -0.25 0
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227746 87562373 1 NO3C10H21 AB3C10D21 -179.83 4.58 -9.51 0.92 0
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227747 87562374 1 N2O3C43H82 A2B3C43D82 -246.19 2.1 -8.8 0.15 0
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227748 87562376 1 S2N4O5C23H26 A2B4C5D23E26 -149.74 6.67 -9.26 -1.26 0
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227749 87562378 1 O3N5C25H25 A3B5C25D25 28.52 3.93 -9.22 -1.16 0