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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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3342 9531 1 OF2C12H22 AB2C12D22 -185.34 2.71 -10.1 0.6 0
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3343 9532 2 ClNC2H7 ABC2D7 -84.59 7.17 -9.5 1.66 0
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3344 9533 1 NCl2C4H9 AB2C4D9 -29.39 1.82 -9.6 0.59 0
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3345 9534 1 FO2C7H13 AB2C7D13 -163.8 5.25 -11.11 0.55 0
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3346 9535 1 FO2C7H13 AB2C7D13 -165.36 1.66 -11.02 0.75 0
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3347 9536 1 FOC10H19 ABC10D19 -128.11 1.59 -10.41 0.28 0
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3348 9537 1 FNC7H12 ABC7D12 -48.67 4.4 -11.64 1.27 0
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3349 9538 1 FOC10H19 ABC10D19 -132.86 4.2 -10.16 0.71 0
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3350 9539 1 Cl3N3C7H22 A3B3C7D22 -127.19 4.53 -9.64 1.83 0
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3351 9541 1 FC10H21 AB10C21 -100.32 2.0 -11.0 3.16 0
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3352 9543 1 BrFC10H20 ABC10D20 -97.57 0.46 -10.44 0.0 0
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3353 9546 1 FOC10H21 ABC10D21 -141.3 3.21 -10.42 2.7 0
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3354 9547 1 FOC10H19 ABC10D19 -139.69 3.87 -11.19 0.19 0
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3355 9548 1 FC12H25 AB12C25 -109.07 1.7 -10.75 3.29 0
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3356 9549 1 FSC12H23 ABC12D23 -45.08 2.21 -8.2 0.27 0
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3357 9551 1 CNO2F3 ABC2D3 -151.64 1.06 -12.09 -1.72 0
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3358 9553 1 C7F16 A7B16 -798.46 0.58 -13.77 -0.77 0
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3359 9556 1 NOH6F7C10 ABC6D7E10 -366.21 4.15 -9.51 -0.79 0
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3360 9558 1 BNF4C12H28 ABC4D12E28 -400.79 18.3 -11.46 -0.56 0
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3361 9559 1 NC12H28 AB12C28 -16.94 0.02 0.0 0.0 1
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3362 9561 1 Cl2C3F3H3 A2B3C3D3 -187.94 1.21 -11.24 -0.42 0
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3363 9563 1 FO6C23H29 AB6C23D29 -302.63 6.68 -9.67 -0.39 0
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3364 9564 1 SN3O3C11H17 AB3C3D11E17 -124.86 8.48 -9.39 -0.55 0
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3365 9565 1 SN3O4C13H15 AB3C4D13E15 -82.68 5.86 -9.08 -0.68 0
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3366 9566 1 FOC4Cl4H5 ABC4D4E5 -123.68 2.23 -11.19 -0.78 0
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3367 9567 1 ClON2H11C15 ABC2D11E15 12.32 2.69 -9.16 -0.7 0
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3368 9570 1 SN4O4C11H14 AB4C4D11E14 -107.34 1.23 -8.94 -1.2 0
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3369 9571 1 Cl2N2O2C13H18 A2B2C2D13E18 -85.39 5.75 -9.14 -0.32 0
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3370 9572 1 ClON2C13H13 ABC2D13E13 -12.96 8.27 -8.47 -1.39 0
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3371 9573 1 FNO2H12C13 ABC2D12E13 -99.1 1.41 -8.7 -0.67 0
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3372 9574 1 F3N3H12C14 A3B3C12D14 -42.75 4.22 -8.27 -1.18 0
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3373 9575 1 FNOH12C15 ABCD12E15 -53.31 4.97 -8.47 -0.48 0
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3374 9576 1 FN2C11H13 AB2C11D13 -8.85 2.22 -8.52 -0.23 0
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3375 9577 1 FN2O2C11H11 AB2C2D11E11 -99.41 4.48 -9.1 -0.74 0
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3376 9579 1 ClF5C6 AB5C6 -203.54 0.41 -10.39 -1.52 0
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3377 9580 1 ClFH6C7 ABC6D7 -37.39 2.57 -9.89 -0.47 0
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3378 9582 1 OF2H8C13 AB2C8D13 -78.07 1.88 -10.22 -1.03 0
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3379 9583 1 ClFH4C6 ABC4D6 -32.59 2.56 -9.68 -0.43 0
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3380 9585 1 BrFNOC10H15 ABCDE10F15 -94.58 5.56 -9.37 0.0 0
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3381 9587 1 F2N3H13C14 A2B3C13D14 2.4 4.46 -8.29 -1.18 0
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3382 9588 1 ClFSO2H4C6 ABCD2E4F6 -107.98 4.88 -11.07 -1.45 0
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3383 9593 1 BrFNOH7C8 ABCDE7F8 -64.96 3.28 -9.15 -0.53 0
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3384 9595 1 NOF3H8C9 ABC3D8E9 -190.85 3.59 -9.35 -0.56 0
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3385 9597 1 F2N3H13C14 A2B3C13D14 1.14 4.82 -8.24 -1.09 0
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3386 9598 1 F2N3H13C14 A2B3C13D14 2.73 7.08 -8.39 -0.96 0
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3387 9599 1 ClFNO3C14H21 ABCD3E14F21 -186.04 5.14 -8.54 -0.2 0
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3388 9601 1 FNOC8H8 ABCD8E8 -75.23 4.69 -8.96 -0.19 0
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3389 9602 1 ClFH6C7 ABC6D7 -38.53 1.96 -9.79 -0.42 0
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3390 9604 1 ClFH4C6 ABC4D6 -33.69 0.1 -9.67 -0.47 0
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3391 9605 1 FIH4C6 ABC4D6 -7.72 0.19 -9.54 -1.06 0