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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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81470 49854763 1 F3N3O4C18H18 A3B3C4D18E18 -244.54 10.14 -8.84 -1.04 0
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81471 49854764 1 Cl2N3O3H21C23 A2B3C3D21E23 -45.36 8.0 -8.81 -0.99 0
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81472 49854765 1 N2O5H24C29 A2B5C24D29 -102.47 12.47 -9.34 -1.27 0
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81473 49854766 1 N3O6H23C27 A3B6C23D27 -114.93 10.12 -9.36 -1.3 0
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81474 49854767 1 N3O5H23C28 A3B5C23D28 -93.23 12.48 -9.34 -1.26 0
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81475 49854768 1 FSN5O6C21H24 ABC5D6E21F24 -180.99 5.71 -7.76 -0.22 0
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81476 49854769 1 BrSO4N5C19H20 ABC4D5E19F20 -68.85 8.32 -8.18 -0.36 0
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81477 49854770 1 FSN5O5C20H22 ABC5D5E20F22 -146.31 1.15 -8.5 -0.76 0
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81478 49854771 1 BrSO4N6C26H33 ABC4D6E26F33 -86.18 9.89 -8.12 -0.28 0
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81479 49854772 1 ClSN5O6C21H24 ABC5D6E21F24 -147.52 9.2 -7.71 -0.39 0
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81480 49854773 1 SN4O6C26H32 AB4C6D26E32 -170.76 2.78 -9.15 -1.32 0
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81481 49854774 1 SN4O6C24H36 AB4C6D24E36 -224.05 4.14 -9.53 -0.67 0
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81482 49854775 1 SN2O6C27H34 AB2C6D27E34 -229.54 4.73 -9.2 -0.6 0
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81483 49854776 1 NS2O6C26H31 AB2C6D26E31 -220.58 6.41 -9.29 -1.27 0
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81484 49854777 1 N2O3C24H28 A2B3C24D28 -58.43 3.24 -8.64 -0.03 -2
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81485 49854778 1 SN2O16C38H72 AB2C16D38E72 -772.77 7.88 -8.99 -0.89 0
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81486 49854779 1 NaPN2O16C38H74 ABC2D16E38F74 -944.78 6.97 -8.62 0.22 2
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81488 49854781 1 SN4O4C8H14 AB4C4D8E14 -95.29 5.39 -9.19 -0.62 0
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81489 49854782 1 SN4O5C24H24 AB4C5D24E24 -79.27 7.03 -9.07 -1.17 0
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81490 49854783 1 FSN4O5H21C23 ABC4D5E21F23 -111.85 7.68 -9.31 -1.31 0
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81491 49854784 1 FSN4O5H21C23 ABC4D5E21F23 -124.17 7.7 -8.85 -1.51 0
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81492 49854786 1 FSN4O4H17C22 ABC4D4E17F22 -56.44 11.13 -8.88 -1.39 0
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81494 49854788 1 O3C27H40 A3B27C40 -123.81 4.86 -9.36 0.35 0
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81495 49854789 1 PSiO2C26H39 ABC2D26E39 -150.17 4.39 -8.99 -0.21 0
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81496 49854790 1 PSiO2C26H39 ABC2D26E39 -152.05 3.95 -8.65 -0.18 0
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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