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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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160388 57309736 1 N2F3O6H23C24 A2B3C6D23E24 -354.51 4.11 -9.1 -1.92 0
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160389 57309737 1 SN3O4H15C16 AB3C4D15E16 -80.4 6.19 -9.32 -0.82 1
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160390 57309738 1 ON2C22H33 AB2C22D33 -11.91 4.65 0.0 0.0 0
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160392 57309740 2 O2C5H6 A2B5C6 -163.98 2.64 -9.71 0.05 0
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160393 57309741 1 N2H16C17 A2B16C17 83.18 2.71 -9.27 -0.74 0
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160395 57309743 1 S2N3O5C35H63 A2B3C5D35E63 -240.34 4.98 -8.09 -0.35 0
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160396 57309744 1 SCl2C10H20 AB2C10D20 -63.46 3.73 -8.75 0.55 0
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160397 57309745 1 Cl2N3C6H9 A2B3C6D9 10.77 5.11 -10.35 0.23 0
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160398 57309746 1 NO2C26H47 AB2C26D47 -147.68 5.23 -9.1 0.81 0
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160399 57309747 1 NOC17H21 ABC17D21 -11.47 2.86 -8.93 0.03 0
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160400 57309748 1 ON3C13H19 AB3C13D19 -12.5 2.98 -8.18 0.04 0
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160401 57309749 1 ClSO4C11H11 ABC4D11E11 -164.32 2.57 -9.19 -0.83 0
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160402 57309750 1 ClO3N6C27H29 AB3C6D27E29 -22.13 4.83 -8.45 -0.7 0
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160403 57309751 1 N2O4C17H24 A2B4C17D24 -165.89 0.83 -9.37 0.18 0
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160404 57309752 1 N2O3H14C15 A2B3C14D15 -55.2 8.86 -8.91 -0.86 0
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160405 57309753 1 OSC10H18 ABC10D18 -36.76 1.99 -7.88 1.19 0
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160406 57309754 1 O3C25H30 A3B25C30 -117.61 0.87 -9.49 0.11 0
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160407 57309755 2 ON2C4H7 AB2C4D7 -63.71 2.09 -8.85 0.34 0
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160408 57309756 1 ClNSO3H12C13 ABCD3E12F13 -79.36 6.39 -8.87 -0.99 0
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160409 57309757 1 OSH12C13 ABC12D13 15.0 1.02 -8.76 -0.1 0
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160410 57309758 2 NO2C3H6 AB2C3D6 -170.22 5.1 -10.0 0.13 0
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160411 57309759 1 S2O5C53H96 A2B5C53D96 -412.41 4.42 -8.81 -0.33 0
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160413 57309761 1 ClNSSiO3C9H16 ABCDE3F9G16 -157.45 4.34 -9.48 -0.88 0
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160414 57309762 1 NSCl2O7C19H19 ABC2D7E19F19 -251.69 6.54 -9.38 -1.01 0
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160415 57309763 1 NO7C15H19 AB7C15D19 -221.71 2.25 -8.76 -1.1 0
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160416 57309764 1 N4C7H12 A4B7C12 71.17 6.8 -11.22 -0.37 0
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160418 57309766 1 O2N3C14H23 A2B3C14D23 -88.92 2.83 -9.37 -0.18 0
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160420 57309768 1 NOC28H41 ABC28D41 -58.26 3.83 -8.61 -0.16 0
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160422 57309770 1 NPSO2C7H16 ABCD2E7F16 -157.0 5.36 -8.65 0.4 0
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160423 57309771 1 NC14H31 AB14C31 -69.99 1.79 -9.29 3.41 0
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160424 57309772 1 NSO2C27H31 ABC2D27E31 -33.84 4.15 -8.43 -0.8 0
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160425 57309773 1 NO2C7H11 AB2C7D11 -79.13 4.52 -10.29 0.82 0
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160426 57309774 1 SO8C35H36 AB8C35D36 -247.08 4.34 -9.09 -0.66 0
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160428 57309776 1 ON2C18H24 AB2C18D24 -12.94 3.58 -8.52 0.1 0
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160429 57309777 1 SO8C18H18 AB8C18D18 -296.27 3.31 -9.57 -1.32 0
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160430 57309778 1 N2O3C12H18 A2B3C12D18 -122.47 1.85 -8.56 0.45 0
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160431 57309779 1 ClON2H15C17 ABC2D15E17 33.33 7.1 -8.98 -0.42 0
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160432 57309780 2 SO2C6H10 AB2C6D10 -174.68 1.43 -8.87 -1.39 0
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160433 57309781 1 ClION2C16H24 ABCD2E16F24 22.5 2.76 -8.9 -1.19 1
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160434 57309782 1 IO6N7H11C19 AB6C7D11E19 181.8 6.84 0.0 0.0 0
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160435 57309783 1 N2O6C23H30 A2B6C23D30 -201.11 3.69 -9.21 -0.43 0
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160436 57309784 1 ClNO2C14H14 ABC2D14E14 -56.23 2.95 -9.33 -1.64 0
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160439 57309787 1 NO2C26H33 AB2C26D33 -18.17 8.87 -9.03 -0.52 0
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160440 57309788 1 O5C21H40 A5B21C40 -308.54 1.89 -10.37 0.81 0
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160441 57309789 1 FNC28H42 ABC28D42 -79.55 6.09 -9.98 -0.77 0
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160442 57309790 1 ClN3O4C21H24 AB3C4D21E24 -56.4 6.51 -9.53 -1.5 0
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160443 57309791 1 BrOSC11H13 ABCD11E13 -41.68 4.69 -8.86 -1.65 0
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160445 57309793 1 NO4C7H11 AB4C7D11 -152.78 3.61 -10.79 0.77 0
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160446 57309794 1 NC14H17 AB14C17 34.43 2.72 -8.3 0.19 0
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160448 57309796 1 N2O3C15H20 A2B3C15D20 -102.53 2.91 -8.68 -0.04 0
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160449 57309797 1 SiO2C12H26 AB2C12D26 -142.22 1.44 -8.89 1.13 0
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160450 57309798 1 ClSO3N4C12H19 ABC3D4E12F19 -133.04 5.22 -8.93 -0.71 0
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160452 57309800 1 N2O7C34H48 A2B7C34D48 -341.82 3.52 -9.36 0.2 0
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160453 57309801 1 OC13H26 AB13C26 -113.45 2.35 -10.17 3.1 0
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160454 57309802 1 BSO4C9H21 ABC4D9E21 -283.18 1.65 -8.33 0.91 0
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160456 57309804 1 SN3O7C39H45 AB3C7D39E45 -143.96 6.38 -9.02 -1.11 0
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160457 57309805 1 SCl3N4H7C10 AB3C4D7E10 60.8 4.77 -9.27 -1.39 0
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160459 57309807 1 SO6C26H38 AB6C26D38 -263.59 7.71 -9.37 -0.29 0
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160460 57309808 1 O2S2N6C7H8 A2B2C6D7E8 99.08 5.23 -10.06 -1.98 0
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160461 57309809 1 SN4O7C16H18 AB4C7D16E18 -238.61 3.3 -10.15 -0.85 0
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160463 57309811 1 N3O6C31H47 A3B6C31D47 -290.54 5.71 -9.22 0.24 0
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160464 57309812 1 NO6C17H21 AB6C17D21 -200.58 3.99 -8.04 0.02 0
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160465 57309813 1 N2O3C25H30 A2B3C25D30 1.73 1.75 -8.84 -0.22 0
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160466 57309814 1 SN4O5C17H22 AB4C5D17E22 -143.42 8.69 -8.81 -0.36 0
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160467 57309815 1 NO3C22H27 AB3C22D27 -123.1 3.23 -8.9 -1.33 0
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160468 57309816 1 SiO3C16H30 AB3C16D30 -218.83 3.47 -9.61 0.04 0
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160470 57309818 1 O5C28H44 A5B28C44 -249.72 2.92 -9.27 -0.4 0
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160471 57309819 2 OC6H12 AB6C12 -140.63 4.85 -10.9 0.68 0
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160472 57309820 2 NSO2C4H5 ABC2D4E5 -78.92 7.37 -9.39 -0.96 0
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160474 57309822 1 NO10C14H27 AB10C14D27 -459.06 4.73 -10.0 0.51 0
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160475 57309823 1 N2O5H18C23 A2B5C18D23 -62.12 2.57 -8.64 -2.44 0
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160476 57309824 1 SN3O7C26H37 AB3C7D26E37 -272.68 5.36 -9.39 -0.88 0
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160477 57309825 1 NO3H11C12 AB3C11D12 -77.41 4.2 -9.17 -1.43 0
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160478 57309826 1 ClN3O4H18C20 AB3C4D18E20 -82.72 4.1 -9.5 -0.47 0
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160479 57309827 1 OPSN2F3C7H8 ABCD2E3F7G8 -237.81 5.37 -9.74 -0.93 0
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160480 57309828 1 SiN6C13H15 AB6C13D15 202.91 4.44 0.0 0.0 0
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160481 57309829 1 SO3N8H18C25 AB3C8D18E25 150.85 2.63 -8.86 -1.59 0
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160482 57309830 4 NC2H3 AB2C3 50.06 5.61 -8.64 0.1 0
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160483 57309831 2 OC13H22 AB13C22 -157.57 4.63 -9.64 1.01 0
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160484 57309832 1 ON2Si2C20H32 AB2C2D20E32 -92.23 7.76 -8.5 -0.4 0
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160486 57309834 1 N2O3C16H18 A2B3C16D18 -74.84 8.65 -9.22 -1.51 0
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160487 57309835 1 FN2O3C31H49 AB2C3D31E49 -146.95 6.67 -8.78 -0.83 0
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160488 57309836 1 NF3O4H10C11 AB3C4D10E11 -235.21 7.3 -10.96 -1.9 0
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160490 57309838 1 ClO5N6H9C14 AB5C6D9E14 -21.82 1.52 -9.34 -2.04 0
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160491 57309839 1 NO5C25H31 AB5C25D31 -205.1 6.49 -9.03 -0.18 0
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160494 57309842 1 PSi2O4C9H25 AB2C4D9E25 -326.62 3.54 -9.06 0.76 0
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160496 57309844 1 ON4H70C72 AB4C70D72 207.6 5.14 -8.18 0.06 0
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160497 57309845 1 SO4C7H8 AB4C7D8 -134.28 4.59 -10.67 -1.57 0
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160498 57309846 1 S2N3O10C21H21 A2B3C10D21E21 -298.55 4.91 -9.63 -1.71 1
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160499 57309847 1 PCl2O2C5H8 AB2C2D5E8 -140.3 4.33 0.0 0.0 0
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160501 57309849 1 OF2H10C13 AB2C10D13 -87.97 2.63 -8.86 -0.5 0
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160502 57309850 1 ClN3O3H8C13 AB3C3D8E13 -26.29 4.23 -10.32 -1.56 0
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160503 57309851 1 BrON3C26H32 ABC3D26E32 17.74 3.36 -8.91 0.01 0
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160505 57309853 1 NS2O3C15H17 AB2C3D15E17 -45.52 6.7 -8.49 -0.6 0
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160506 57309854 1 SO4C18H38 AB4C18D38 -250.57 3.37 -10.12 -0.03 0
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160507 57309855 1 SN4O6C24H26 AB4C6D24E26 -83.04 5.71 -9.25 -1.39 0
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160508 57309856 2 ClNOH6C7 ABCD6E7 -60.48 7.68 -9.54 -0.88 0
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160509 57309857 1 N5O5H23C25 A5B5C23D25 -80.9 4.41 -9.62 -1.15 0
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160511 57309859 1 FO2N3H20C21 AB2C3D20E21 -26.08 1.48 -9.16 -0.94 0
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160512 57309860 1 N3O4C28H31 A3B4C28D31 -103.95 4.66 -9.23 -1.19 0