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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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173788 75682867 1 SN2O3C16H21 AB2C3D16E21 -80.78 5.51 0.0 0.0 1
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173789 75683060 1 Cl2O2N3H14C15 A2B2C3D14E15 50.64 8.29 0.0 0.0 1
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173790 75683432 1 N3O3C23H28 A3B3C23D28 -50.91 4.72 0.0 0.0 1
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173791 75683664 1 N3O4C23H26 A3B4C23D26 -98.33 5.1 0.0 0.0 1
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173792 75683665 1 ClN3O3C16H21 AB3C3D16E21 -93.22 7.08 0.0 0.0 0
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173793 75683666 1 N3O5C25H25 A3B5C25D25 -102.6 2.33 -8.57 -0.94 -1
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173794 75683709 1 O2N3H14C16 A2B3C14D16 17.07 6.64 0.0 0.0 1
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173795 75683900 1 O2N3C24H34 A2B3C24D34 -16.86 2.29 0.0 0.0 1
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173796 75684236 1 ON5C21H26 AB5C21D26 44.05 4.12 0.0 0.0 1
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173797 75684671 1 N3O4C24H32 A3B4C24D32 -89.49 4.2 0.0 0.0 1
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173798 75684677 1 N4O4C22H29 A4B4C22D29 -118.01 3.75 0.0 0.0 1
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173799 75684920 1 O2N3C25H30 A2B3C25D30 -40.55 13.52 0.0 0.0 -2
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173800 75684921 1 SN4O6C14H14 AB4C6D14E14 -89.55 8.7 -9.91 -2.24 1
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173801 75685036 1 N4O4C20H27 A4B4C20D27 -74.99 3.5 0.0 0.0 1
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173802 75685445 1 N3O3C24H32 A3B3C24D32 -9.64 1.87 0.0 0.0 1
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173803 75685615 1 SO3N4H23C24 AB3C4D23E24 -5.11 6.69 0.0 0.0 0
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173804 75685869 1 SO3N5C27H43 AB3C5D27E43 -136.11 1.09 -8.71 -0.42 0
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173805 75686255 1 SO3N6C23H36 AB3C6D23E36 -134.09 4.67 -9.01 -0.88 1
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173806 75686389 1 N3O3C28H30 A3B3C28D30 7.93 5.41 0.0 0.0 1
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173807 75686390 1 N3O3C25H32 A3B3C25D32 -65.31 3.94 0.0 0.0 1
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173808 75686391 3 NOC8H10 ABC8D10 -43.13 3.5 0.0 0.0 1
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173809 75686392 1 O2N4C22H27 A2B4C22D27 -14.4 7.37 0.0 0.0 -1
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173810 75686656 1 ClN2O4H12C17 AB2C4D12E17 -62.62 3.64 0.0 0.0 0
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173811 75686657 1 ClN2O4H13C17 AB2C4D13E17 -117.09 3.86 -9.66 -0.71 2
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173812 75686658 1 SN6C26H38 AB6C26D38 54.6 8.73 -7.7 -0.31 0
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173813 75686659 1 SN6C26H36 AB6C26D36 51.75 3.89 -8.27 -0.31 1
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173814 75686660 1 SN6C26H37 AB6C26D37 61.85 3.22 0.0 0.0 1
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173815 75686661 1 SN4O4C23H29 AB4C4D23E29 -93.35 4.33 0.0 0.0 1
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173816 75686669 1 OSN4C24H29 ABC4D24E29 67.46 5.27 0.0 0.0 1
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173817 75686755 1 SO2N5C23H34 AB2C5D23E34 -36.9 14.01 0.0 0.0 0
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173818 75686817 1 NSO2H19C24 ABC2D19E24 29.49 2.95 -8.62 -1.19 0
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173819 75687117 1 ClN2O3H19C21 AB2C3D19E21 -38.62 2.51 -8.42 -1.08 1
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173820 75687243 1 ClON3C23H29 ABC3D23E29 4.29 5.11 0.0 0.0 1
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173821 75688334 1 N3O4C24H34 A3B4C24D34 -117.09 5.15 0.0 0.0 1
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173822 75688335 1 O2N4C22H35 A2B4C22D35 -32.29 11.89 0.0 0.0 1
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173823 75688364 1 O2N4C19H27 A2B4C19D27 6.39 3.49 0.0 0.0 1
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173824 75688365 1 O3N4C20H29 A3B4C20D29 -31.76 6.01 0.0 0.0 1
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173825 75688366 1 FON3C22H29 ABC3D22E29 -34.66 5.31 0.0 0.0 1
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173826 75688641 1 N2O2C14H29 A2B2C14D29 -69.85 3.12 0.0 0.0 1
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173827 75688797 1 O2N6C24H37 A2B6C24D37 -20.42 5.27 0.0 0.0 0
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173828 75689312 1 FSN2O3C13H15 ABC2D3E13F15 -116.83 5.68 -9.18 -0.92 0
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173829 75689446 1 OSN3C22H31 ABC3D22E31 -13.38 2.52 -8.91 -0.1 1
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173830 75689477 1 O2N4C20H31 A2B4C20D31 -87.23 5.41 0.0 0.0 1
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173831 75689478 1 SO3N4C17H27 AB3C4D17E27 -116.63 2.79 0.0 0.0 1
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173832 75689479 1 OSBr2N2C12H17 ABC2D2E12F17 -11.11 9.94 0.0 0.0 1
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173833 75689480 1 O2N3C20H30 A2B3C20D30 -66.42 4.31 0.0 0.0 0
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173834 75689739 1 F2N2O2C23H26 A2B2C2D23E26 -131.55 2.32 -8.84 -0.39 0
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173835 75689919 1 SO2N3H21C22 AB2C3D21E22 18.05 4.69 -9.4 -0.84 0
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173836 75690382 1 FSN3O3H16C21 ABC3D3E16F21 -86.97 4.48 -8.87 -1.36 0
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173837 75690383 1 N2S2O3C17H20 A2B2C3D17E20 -88.3 8.19 -8.84 -0.48 0