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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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374618 131342037 1 NF3C9H14 AB3C9D14 -167.16 2.34 -9.69 -0.09 0
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374619 131342038 1 OF3C9H9 AB3C9D9 -185.49 2.47 -10.24 -0.31 0
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374620 131342039 1 NF3C12H14 AB3C12D14 -138.07 3.32 -9.36 0.12 0
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374621 131342041 1 NF4C11H11 AB4C11D11 -174.58 5.34 -9.65 -0.24 0
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374622 131342042 1 NF3C8H12 AB3C8D12 -160.04 2.24 -9.87 -0.17 0
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374623 131342043 1 NF3C7H12 AB3C7D12 -165.53 3.21 -9.78 0.22 0
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374624 131342044 1 NF3C8H12 AB3C8D12 -139.88 3.09 -9.86 0.2 0
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374625 131342045 1 NC12H23 AB12C23 -30.82 1.97 -9.11 1.51 0
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374626 131342046 1 OC12H20 AB12C20 -70.41 3.68 -9.58 0.72 0
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374627 131342047 2 OC7H14 AB7C14 -148.07 1.63 -9.62 2.26 0
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374628 131342048 2 OC7H13 AB7C13 -136.21 1.63 -9.65 2.25 0
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374629 131342051 1 OSF3H7C10 ABC3D7E10 -155.24 1.92 -9.22 -1.01 0
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374630 131342057 1 NO2C6H9 AB2C6D9 -46.43 1.9 -10.02 0.73 0
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374631 131342058 1 SN2C5H6 AB2C5D6 49.43 2.15 -8.54 0.15 1
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374632 131342059 1 BrO2N5H7C8 AB2C5D7E8 9.9 7.92 0.0 0.0 0
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374633 131342060 1 NC8H17 AB8C17 -17.13 2.21 -9.33 1.2 0
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374634 131342061 1 NOSC5H5 ABCD5E5 3.56 2.94 -9.58 -0.73 0
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374635 131342062 1 FINOH5C8 ABCDE5F8 -19.88 3.74 -10.03 -1.62 0
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374636 131342063 1 FINOH5C8 ABCDE5F8 -20.32 3.08 -10.03 -1.59 0
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374637 131342064 1 FINOH5C8 ABCDE5F8 -19.61 4.17 -9.91 -1.55 0
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374638 131342066 1 FINOH5C8 ABCDE5F8 -18.97 2.86 -9.99 -1.59 0
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374639 131342071 1 FINOH5C8 ABCDE5F8 -21.44 4.15 -10.07 -1.64 0
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374640 131342072 1 FINOH5C8 ABCDE5F8 -20.84 2.52 -10.03 -1.64 0
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374641 131342073 1 FINOH5C8 ABCDE5F8 -19.5 5.02 -10.02 -1.6 0
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374642 131342080 1 FINOH5C8 ABCDE5F8 -18.59 3.9 -10.11 -1.63 0
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374643 131342081 1 BrO2C13H15 AB2C13D15 -68.54 3.96 -9.49 -0.31 0
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374644 131342083 1 SN4C11H20 AB4C11D20 18.71 3.44 -8.48 0.12 0
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374645 131342084 1 ClFOC10H10 ABCD10E10 -76.54 4.11 -9.7 -0.47 0
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374646 131342085 1 ClFOC10H10 ABCD10E10 -78.37 0.52 -9.91 -0.54 0
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374647 131342093 1 ClFOC10H10 ABCD10E10 -75.94 1.35 -9.84 -0.45 0
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374648 131342118 1 ClNSH12C13 ABCD12E13 39.85 2.05 -8.8 -0.84 0
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374649 131342340 1 SBr2F2H6C10 AB2C2D6E10 -65.73 1.5 -9.21 -1.43 0
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374650 131342341 1 N2C13H16 A2B13C16 32.06 2.26 -8.89 0.41 0
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374651 131342342 1 N2C13H16 A2B13C16 30.0 2.21 -8.92 0.47 0
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374652 131342345 1 SBr2F2H6C10 AB2C2D6E10 -64.74 1.28 -9.01 -1.21 0
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374653 131342346 1 SBr2F2H6C10 AB2C2D6E10 -65.37 2.1 -9.16 -1.38 0
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374654 131342352 1 SBr2F2H6C10 AB2C2D6E10 -62.12 2.37 -9.18 -1.37 0
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374655 131342353 1 SBr2F2H6C10 AB2C2D6E10 -62.58 2.23 -9.05 -1.37 0
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374656 131342354 1 ON2F4C8H8 AB2C4D8E8 -222.83 2.92 -10.1 -0.97 0
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374657 131342356 1 INH2O2F4C7 ABC2D2E4F7 -211.5 3.26 -10.2 -1.92 0
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374658 131342363 1 NOSF3H6C9 ABCD3E6F9 -153.73 1.89 -8.26 -0.85 0
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374659 131342364 1 NOSF3H6C9 ABCD3E6F9 -159.73 4.29 -8.38 -0.53 0
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374660 131342365 1 NOSF3H6C9 ABCD3E6F9 -150.28 0.76 -8.48 -1.0 0
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374661 131342367 1 NOSF3H6C9 ABCD3E6F9 -152.87 1.39 -8.23 -0.97 0
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374662 131342368 1 NOSF2C11H11 ABCD2E11F11 -119.91 3.39 -8.32 -0.78 0
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374663 131342370 1 NOSF2C11H11 ABCD2E11F11 -123.34 4.17 -8.41 -0.7 0
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374664 131342371 1 N3C7H13 A3B7C13 18.24 1.43 -7.93 1.23 0
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374665 131342373 1 N3C7H13 A3B7C13 18.38 1.35 -8.31 1.2 0
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374666 131342374 1 N3C7H13 A3B7C13 25.45 1.99 -7.76 1.32 0
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374667 131342375 2 NOC3H4 ABC3D4 -48.72 4.27 -10.21 0.22 0
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374668 131342376 1 ON4C7H12 AB4C7D12 13.25 1.56 -9.3 0.25 0
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374669 131342377 1 ON4C7H12 AB4C7D12 12.21 1.22 -9.18 0.14 0
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374670 131342378 1 OSN2C7H8 ABC2D7E8 6.86 2.23 -9.29 -0.87 0
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374671 131342379 1 OSN2C7H8 ABC2D7E8 7.82 3.85 -9.12 -0.71 0
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374672 131342381 1 N2O3C10H12 A2B3C10D12 -83.37 3.64 -9.76 -0.94 0
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374673 131342382 1 N2O3C10H12 A2B3C10D12 -101.37 4.34 -9.24 -1.06 0
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374674 131342383 1 N2O3C10H12 A2B3C10D12 -87.11 2.36 -9.2 -0.99 0
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374675 131342384 1 N2O3C10H12 A2B3C10D12 -56.47 2.5 -8.72 -0.58 0
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374676 131342385 1 N2O3C10H12 A2B3C10D12 -97.47 7.77 -8.83 -0.32 0
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374677 131342387 1 SO2H4N4C7 AB2C4D4E7 34.92 7.54 -10.38 -2.56 0
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374678 131342388 1 SO2H4N4C7 AB2C4D4E7 39.59 4.89 -10.11 -2.61 0
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374679 131342389 1 INOC12H16 ABCD12E16 -30.69 0.95 -9.2 -0.77 0
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374680 131342393 1 FNOC11H14 ABCD11E14 -82.34 2.76 -9.46 0.03 0
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374681 131342396 1 NOF2C11H13 ABC2D11E13 -130.92 3.07 -9.59 -0.21 0
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374682 131342402 1 FON2C12H13 ABC2D12E13 -51.85 5.28 -9.97 -0.87 0
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374683 131342444 1 FN2O2C9H9 AB2C2D9E9 -68.22 2.86 -8.96 -0.56 0
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374684 131342447 2 FNC5H5 ABC5D5 -45.02 6.21 -9.49 -1.15 0
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374685 131342453 2 FNC5H5 ABC5D5 -39.99 5.48 -9.36 -1.18 0
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374686 131342454 1 BrN2O4H5C7 AB2C4D5E7 -65.47 5.55 -10.05 -1.98 0
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374687 131342456 1 BrNF2O3H4C7 ABC2D3E4F7 -117.8 6.3 -10.19 -1.65 0
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374688 131342457 2 FNC5H5 ABC5D5 -49.84 6.75 -10.05 -1.07 0
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374689 131342459 2 FNC5H5 ABC5D5 -47.54 3.3 -9.93 -0.65 0
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374690 131342461 1 BrNF2O3H4C7 ABC2D3E4F7 -121.94 6.21 -10.54 -1.84 0
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374691 131342462 1 BrNF2O3H4C7 ABC2D3E4F7 -124.85 4.0 -10.09 -1.53 0
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374692 131342467 1 BrNH4O5C7 ABC4D5E7 -95.22 8.74 -10.61 -1.99 0