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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