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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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81497 49854792 1 O3N4C19H22 A3B4C19D22 -31.32 9.05 -8.47 -0.62 0
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81498 49854793 1 FO3N4H21C23 AB3C4D21E23 -40.64 7.75 -8.52 -0.74 0
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81499 49854794 1 O3N6H20C21 A3B6C20D21 33.98 7.94 -8.85 -0.96 0
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81500 49854795 1 O3N4C20H22 A3B4C20D22 -3.23 8.86 -8.44 -0.62 0
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81501 49854796 1 BrO2N5C18H20 AB2C5D18E20 32.05 8.35 -8.74 -0.9 0
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81502 49854797 1 O2N6H20C21 A2B6C20D21 61.66 8.53 -8.74 -0.91 0
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81503 49854798 1 ClN2O3C19H21 AB2C3D19E21 -115.58 2.76 -8.04 -0.82 0
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81504 49854799 1 BrClON2C17H18 ABCD2E17F18 -29.12 2.24 -8.32 -0.46 0
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81505 49854800 1 ClN3O3C17H18 AB3C3D17E18 -35.81 6.29 -8.12 -1.44 0
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81506 49854801 1 ClON2C18H19 ABC2D18E19 26.33 3.97 -8.17 -0.84 0
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81507 49854802 1 FON2C17H17 ABC2D17E17 -40.46 5.31 -8.19 -0.34 0
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81508 49854804 1 ON3C19H25 AB3C19D25 3.11 0.66 -7.77 0.21 0
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81509 49854807 1 SN3O4C26H29 AB3C4D26E29 -95.93 3.79 -8.53 -0.64 0
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81510 49854808 1 ClSO4N5C22H22 ABC4D5E22F22 -71.23 6.57 -8.79 -1.15 0
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81511 49854810 1 ClSN4O5C24H25 ABC4D5E24F25 -117.11 4.23 -8.95 -1.17 0
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81512 49854811 2 ClN2O2C16H18 AB2C2D16E18 -124.89 7.91 -8.42 -0.26 0
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81513 49854813 1 Cl2N3O5C29H37 A2B3C5D29E37 -200.47 5.69 -8.69 -0.45 0
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81514 49854814 1 Cl2N3O5C31H41 A2B3C5D31E41 -212.19 9.07 -8.68 -0.46 0
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81515 49854816 1 N3O4C31H33 A3B4C31D33 -92.14 5.31 -8.35 -0.18 0
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81516 49854817 1 N3O4C32H35 A3B4C32D35 -101.72 3.5 -8.41 -0.21 0
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81517 49854818 1 O4N5C31H35 A4B5C31D35 -77.68 4.81 -8.45 -0.22 0
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81518 49854819 1 N5O6C34H39 A5B6C34D39 -161.58 4.32 -8.41 -0.31 0
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81519 49854821 1 OSN10C23H30 ABC10D23E30 77.21 4.27 -8.54 -0.42 0
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81520 49854822 1 SO2N10C24H28 AB2C10D24E28 67.35 5.19 -8.62 -0.67 0
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81521 49854823 1 OS2N10C24H28 AB2C10D24E28 104.8 5.64 -8.65 -0.73 0
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81522 49854824 1 OSN10C23H32 ABC10D23E32 54.18 6.7 -8.56 -0.29 0
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81523 49854825 1 BrSO3N5H18C27 ABC3D5E18F27 51.89 7.13 -9.09 -1.6 0
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81524 49854826 1 BrSO3N4H21C27 ABC3D4E21F27 4.77 8.6 -9.05 -1.18 0
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81525 49854827 1 BrSN5O5H20C27 ABC5D5E20F27 3.26 6.01 -9.28 -2.11 0
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81526 49854828 1 BrFSO3N4H20C27 ABCD3E4F20G27 -41.37 7.84 -9.06 -1.21 0
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81527 49854829 1 BrSO3N4H23C28 ABC3D4E23F28 -5.09 8.95 -9.02 -1.14 0
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81528 49854830 1 O2N3C18H19 A2B3C18D19 -2.0 9.82 -8.65 -0.56 0
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81529 49854831 1 ON3C18H19 AB3C18D19 60.41 7.03 -8.6 -0.33 0
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81530 49854832 1 ON3H21C24 AB3C21D24 122.0 7.33 -8.62 -0.4 0
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81531 49854833 1 ON3H23C24 AB3C23D24 78.34 4.44 -8.38 -0.52 0
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81532 49854834 1 O2N3C17H19 A2B3C17D19 -2.06 9.38 -8.64 -0.39 0
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81533 49854835 1 N3O4H17C18 A3B4C17D18 -51.01 5.91 -8.52 -1.18 0
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81534 49854836 1 N3O4C19H19 A3B4C19D19 -57.15 6.04 -8.46 -1.2 0
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81535 49854837 1 SN4O5C26H32 AB4C5D26E32 -105.99 6.16 -9.18 -1.04 0
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81536 49854838 1 SN5O5C21H29 AB5C5D21E29 -107.83 5.46 -8.98 -1.05 0
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81537 49854839 1 SN5O6C21H25 AB5C6D21E25 -113.25 5.37 -9.26 -0.97 0
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81538 49854840 1 S2N5O5C21H25 A2B5C5D21E25 -73.48 4.0 -8.71 -0.94 0
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81539 49854841 1 SN4O5C23H28 AB4C5D23E28 -99.91 6.31 -9.39 -1.09 0
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81540 49854842 1 N4H10C15 A4B10C15 132.21 7.07 -8.88 -0.87 0
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81541 49854843 1 ON4H12C16 AB4C12D16 91.18 6.03 -8.59 -0.86 0
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81542 49854846 1 ON3H17C23 AB3C17D23 108.52 5.95 -8.45 -0.77 0
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81543 49854847 1 N2O3H18C20 A2B3C18D20 -14.6 4.99 -8.4 -0.54 0
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81544 49854848 1 N2O2H16C19 A2B2C16D19 25.33 4.6 -8.67 -0.54 0
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81545 49854849 1 N3C18H25 A3B18C25 45.49 2.53 -8.12 0.39 0
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81546 49854850 1 N3C20H29 A3B20C29 39.5 3.32 -8.08 0.43 0
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81547 49854851 1 ON3C18H25 AB3C18D25 -4.09 2.35 -8.46 0.14 0
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81548 49854852 1 N5C18H23 A5B18C23 99.11 5.41 -8.69 -0.09 0
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81549 49854853 1 N5C16H19 A5B16C19 105.37 5.97 -8.76 -0.1 0
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81550 49854854 1 N5C17H21 A5B17C21 91.65 6.76 -8.73 -0.01 0
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81551 49854855 1 N5C19H25 A5B19C25 88.96 5.55 -8.58 0.01 0
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81552 49854856 1 F3N5C17H18 A3B5C17D18 -56.17 6.59 -9.21 -0.65 0
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81553 49854857 1 F2O3N4C18H18 A2B3C4D18E18 -158.01 5.18 -9.3 -0.92 0
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81554 49854858 1 O3N5C19H23 A3B5C19D23 -74.06 6.8 -8.38 -0.31 0
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81555 49854859 1 ClN4O4C18H19 AB4C4D18E19 -108.67 5.34 -9.06 -0.61 0
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81556 49854860 1 N3O4C12H17 A3B4C12D17 -145.56 7.95 -9.38 -0.16 0
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81557 49854861 1 NaN3O4C10H12 AB3C4D10E12 -122.32 37.39 -8.13 -1.9 0
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81558 49854862 1 N3O4C10H13 A3B4C10D13 -135.63 7.67 -10.0 -0.75 0
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81559 49854863 1 LiN3O4C10H12 AB3C4D10E12 -116.02 34.1 -8.3 -1.39 0
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81560 49854864 1 KN3O4C10H12 AB3C4D10E12 -186.8 7.21 -8.46 -0.14 0
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81561 49854865 1 O2F5N6H15C19 A2B5C6D15E19 -247.08 3.43 -9.11 -1.22 0
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81562 49854866 1 N2O4F9H23C25 A2B4C9D23E25 -627.76 6.26 -9.62 -1.23 0
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81564 49854868 1 ISN2C16H19 ABC2D16E19 66.86 2.66 -8.76 -0.88 0
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81565 49854869 1 NOC10H11 ABC10D11 -12.46 5.77 -8.56 -0.42 0
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81566 49854870 1 F2N2O5H18C23 A2B2C5D18E23 -219.96 10.57 -9.26 -1.36 0
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81567 49854871 1 ClFN2O5H18C23 ABC2D5E18F23 -190.59 10.5 -9.49 -1.41 0
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81568 49854873 1 N3O5H29C31 A3B5C29D31 -94.72 6.09 -8.14 -0.82 0
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81569 49854874 1 N3O4C26H29 A3B4C26D29 -56.36 11.22 -8.12 -0.47 0
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81570 49854875 1 BrN2O4H23C24 AB2C4D23E24 -79.06 10.98 -8.59 -0.77 0
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81571 49854876 1 ClSO5N6C27H35 ABC5D6E27F35 -133.69 11.9 -8.09 -0.31 0
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81572 49854877 1 BrSN5O5C20H22 ABC5D5E20F22 -98.96 6.93 -8.26 -0.54 0
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81574 49854879 1 ClSN5O6C21H24 ABC5D6E21F24 -141.12 6.65 -8.36 -0.45 0
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81575 49854880 1 ClFSO4N5C19H19 ABCD4E5F19G19 -120.58 5.35 -8.41 -0.37 0
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81576 49854881 1 ClSN5O5C20H22 ABC5D5E20F22 -116.21 2.84 -8.37 -0.05 0
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81577 49854882 1 ClSO4N5C20H22 ABC4D5E20F22 -82.0 6.31 -8.4 -0.43 0
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81578 49854883 1 N2O3C27H32 A2B3C27D32 -46.89 3.28 -8.65 -0.03 0
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81579 49854884 2 NO2C11H14 AB2C11D14 -120.19 4.93 -8.42 0.23 0
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81580 49854885 1 N2O5C24H32 A2B5C24D32 -164.28 2.89 -8.48 0.18 0
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81581 49854886 2 NO2C11H15 AB2C11D15 -115.62 4.03 -8.57 0.08 0
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81582 49854887 1 N2O5C23H30 A2B5C23D30 -162.63 8.71 -8.6 0.05 0
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81583 49854888 2 BrSN2C6H8 ABC2D6E8 35.85 4.22 -8.7 -1.06 0
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81584 49854889 2 SN2C6H7 AB2C6D7 79.27 6.39 -8.78 -0.82 0
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81585 49854890 2 NSC2O2H6 ABC2D2E6 -176.68 3.95 -9.38 -0.51 1
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81586 49854891 1 FeNa2O3H4C5N6 AB2C3D4E5F6 -146.9 2.8 -8.07 0.11 0
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81587 49854892 1 NI3O10H28C38 AB3C10D28E38 -217.7 13.55 -9.06 -2.04 0
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81588 49854893 1 NI4O10H27C38 AB4C10D27E38 -256.52 5.48 -9.11 -1.96 0
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81589 49854894 1 FSN4O4H19C23 ABC4D4E19F23 -62.65 10.05 -8.85 -1.47 0
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81590 49854895 1 FSN4O4H21C24 ABC4D4E21F24 -68.21 10.54 -8.88 -1.46 0
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81591 49854896 1 FSN4O4H23C25 ABC4D4E23F25 -72.94 9.84 -8.84 -1.48 0
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81592 49854897 1 FSN4O4H21C25 ABC4D4E21F25 -40.84 7.97 -8.87 -1.43 0
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81593 49854898 1 FSN4O4H21C28 ABC4D4E21F28 -27.95 11.92 -8.86 -1.6 0
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81594 49854900 1 FNO6C19H24 ABC6D19E24 -305.17 6.65 -9.56 -0.57 0
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81595 49854902 1 N3O4H11C14 A3B4C11D14 -44.07 2.51 -8.68 -2.1 0
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81596 49854903 1 NSF3O4C23H24 ABC3D4E23F24 -277.36 3.75 -9.26 -0.83 0
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81597 49854906 1 O2N5C23H23 A2B5C23D23 18.85 7.97 -8.3 -0.5 0
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81598 49854907 1 FO3N4C17H17 AB3C4D17E17 -62.61 8.07 -8.57 -0.8 0