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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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313737 126617368 1 SO3N5C21H21 AB3C5D21E21 -23.87 10.2 -8.87 -1.27 0
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313738 126617369 1 ClON6H11C16 ABC6D11E16 86.85 5.02 -8.85 -1.6 0
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313739 126617371 1 SCl2O3N5H15C19 AB2C3D5E15F19 -22.04 8.18 -8.96 -1.38 0
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313740 126617376 1 ClFSO2N6C22H22 ABCD2E6F22G22 -19.79 7.71 -8.9 -1.32 0
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313741 126617377 1 ON9C19H21 AB9C19D21 109.88 8.72 -8.52 -1.42 0
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313742 126617386 1 ClFSO2N5H11C17 ABCD2E5F11G17 -14.17 5.08 -9.06 -1.4 0
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313743 126617388 2 ON3H7C9 AB3C7D9 55.12 4.09 -8.89 -1.64 0
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313744 126617391 1 SO3N5H23C26 AB3C5D23E26 12.65 9.63 -8.87 -1.29 0
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313745 126617393 1 FON6H11C16 ABC6D11E16 49.26 4.8 -8.82 -1.57 0
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313746 126617394 1 SO2N5C13H13 AB2C5D13E13 1.51 7.06 -8.93 -1.31 0
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313747 126617396 1 FSO2Cl3N5H17C25 ABC2D3E5F17G25 -3.39 8.54 -9.07 -1.34 0
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313748 126617403 1 FSO2N6H27C29 ABC2D6E27F29 13.46 8.22 -8.85 -1.33 0
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313749 126617405 1 ClNO5C35H38 ABC5D35E38 -159.4 4.94 -8.7 -0.35 0
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313750 126617407 1 SO4N5H19C20 AB4C5D19E20 -44.85 10.01 -8.91 -1.24 0
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313751 126617417 1 ON7C21H21 AB7C21D21 90.52 8.43 -8.6 -1.44 0
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313752 126617420 1 OSN6C21H22 ABC6D21E22 70.36 8.84 -8.74 -1.09 0
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313753 126617421 1 SF2O3N5H15C19 AB2C3D5E15F19 -93.67 9.97 -9.05 -1.41 0
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313754 126617422 1 SO2N5C13H13 AB2C5D13E13 15.01 9.53 -8.84 -1.26 0
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313755 126617423 1 ON5H13C17 AB5C13D17 90.71 8.07 -9.24 -1.05 0
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313756 126617430 1 ON7H11C15 AB7C11D15 107.59 5.01 -8.86 -1.61 0
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313757 126617433 1 O2N5H11C12 A2B5C11D12 18.83 6.38 -9.34 -1.19 0
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313758 126617434 1 FN2O3C35H35 AB2C3D35E35 -117.63 3.01 -8.83 -0.45 0
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313759 126617438 1 O3N5H19C24 A3B5C19D24 42.37 3.59 -8.95 -1.65 0
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313760 126617471 1 ClO2F3N4C28H30 AB2C3D4E28F30 -204.38 6.93 -9.82 -1.21 0
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313761 126617474 1 OCl3N4C20H21 AB3C4D20E21 -6.58 2.6 -9.52 -1.4 0
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313762 126617478 1 Cl2O2F3N4H23C24 A2B2C3D4E23F24 -201.17 8.57 -9.84 -1.22 0
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313763 126617480 1 ClF3O3N5C25H27 AB3C3D5E25F27 -233.69 7.74 -9.68 -1.18 0
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313764 126617482 1 ClON3C14H14 ABC3D14E14 41.19 1.32 -9.68 -1.28 0
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313765 126617486 1 ClO2F3N4C26H26 AB2C3D4E26F26 -192.15 7.71 -9.75 -1.18 0
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313766 126617487 1 ClO4N5C26H32 AB4C5D26E32 -115.97 7.0 -9.75 -1.13 0
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313767 126617489 1 O3C14H20 A3B14C20 -122.31 2.33 -9.56 0.11 0
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313768 126617520 1 FO2N5C20H20 AB2C5D20E20 -40.72 3.36 -8.82 -1.12 0
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313769 126617524 1 O3N4C22H28 A3B4C22D28 -90.1 2.21 -8.67 -0.59 0
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313770 126617532 1 NPSF3O5C10H11 ABCD3E5F10G11 -349.17 2.64 -9.34 -1.9 0
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313771 126617535 1 PN4O4C15H17 AB4C4D15E17 -104.32 1.83 -9.22 -1.04 0
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313772 126617536 1 PO3N4C14H15 AB3C4D14E15 -71.28 3.4 -9.31 -1.21 0
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313773 126617544 1 FO3N4C21H25 AB3C4D21E25 -124.48 5.19 -8.58 -0.59 0
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313774 126617545 1 FO3N4C21H25 AB3C4D21E25 -130.41 5.96 -8.83 -0.78 0
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313775 126617546 1 NSC12H25 ABC12D25 17.46 4.67 -8.94 -0.54 0
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313776 126617567 1 FS2N4O7C28H31 AB2C4D7E28F31 -251.75 11.33 -9.05 -0.68 0
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313777 126617573 1 SN3O6C18H21 AB3C6D18E21 -216.4 10.23 -9.49 -0.99 0
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313778 126617576 1 ClSF2O5N6H27C30 ABC2D5E6F27G30 -189.75 7.37 -8.95 -1.26 0
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313779 126617577 1 FSN4O6C30H33 ABC4D6E30F33 -229.86 9.33 -9.35 -1.0 0
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313780 126617578 1 ClSF2N4O6H27C28 ABC2D4E6F27G28 -272.66 6.55 -9.3 -0.93 0
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313781 126617579 1 ClSF2N5O5H20C26 ABC2D5E5F20G26 -184.94 10.41 -9.06 -1.25 0
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313782 126617580 1 FSN4O6C31H35 ABC4D6E31F35 -236.53 9.66 -9.3 -0.99 0
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313783 126617592 1 SO4N5C12H15 AB4C5D12E15 -103.62 5.99 -9.37 -1.11 0
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313784 126617635 1 FO4N5H24C31 AB4C5D24E31 -59.85 11.14 -8.45 -1.0 0
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313785 126617678 1 FN4O6C33H33 AB4C6D33E33 -178.11 13.86 -8.4 -0.87 0
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313786 126617703 2 ON3H6C8 AB3C6D8 51.34 8.07 -8.94 -1.83 0
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313787 126617716 1 O3N5H17C19 A3B5C17D19 6.27 2.44 -8.76 -1.68 0
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313788 126617724 1 SN4O4H18C20 AB4C4D18E20 -72.84 12.47 -8.91 -1.15 0
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313789 126617734 1 O3N5H13C17 A3B5C13D17 -4.25 9.64 -8.78 -1.77 0
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313790 126617735 1 SO2N4H10C15 AB2C4D10E15 25.32 7.71 -8.94 -1.25 0
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313791 126617736 1 SO2N3H11C18 AB2C3D11E18 43.45 6.4 -8.51 -1.19 0
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313792 126617790 1 FOSN6H17C22 ABCD6E17F22 47.91 3.83 -9.36 -1.42 0
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313793 126617791 1 O3N6H18C23 A3B6C18D23 45.81 7.66 -9.13 -1.87 0
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313794 126617799 1 SO2N5C19H19 AB2C5D19E19 27.19 8.33 -8.75 -1.1 0
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313795 126617800 1 FO2N6H13C17 AB2C6D13E17 15.65 7.1 -9.15 -1.79 0
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313796 126617801 1 O2N5H13C17 A2B5C13D17 50.59 6.03 -8.99 -1.79 0
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313797 126617807 1 SN3O3H9C11 AB3C3D9E11 -31.65 5.98 -8.99 -1.46 0
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313798 126617810 1 SO2N5H11C15 AB2C5D11E15 45.43 9.02 -8.66 -1.25 0
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313799 126617824 1 FO3N5H16C19 AB3C5D16E19 -42.83 6.56 -8.81 -1.7 0
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313800 126617842 1 N3O5C12H13 A3B5C12D13 -144.37 7.52 -9.0 -1.84 0
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313801 126617861 1 SN14O15C58H92 AB14C15D58E92 -599.75 5.91 -8.64 0.03 1
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313802 126617863 1 N2O2C14H19 A2B2C14D19 -41.33 3.21 0.0 0.0 0
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313803 126617864 2 NOC7H9 ABC7D9 -61.26 3.11 -8.81 -0.95 0
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313804 126617867 1 SO28N36C96H158 AB28C36D96E158 -1034.73 12.24 -9.06 -0.36 0
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313806 126617870 1 MgC6O8H10 AB6C8D10 -376.15 5.18 -6.87 -0.66 0
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313807 126617871 1 SO31N36C103H172 AB31C36D103E172 -1149.71 20.28 -8.94 -1.88 1
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313808 126617875 1 BrN4C20H30 AB4C20D30 72.58 3.38 0.0 0.0 0
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313809 126617876 1 ClNO2F3H9C14 ABC2D3E9F14 -149.25 4.4 -9.42 -0.96 0
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313811 126617936 1 FO3N5H28C33 AB3C5D28E33 -43.61 10.08 -8.4 -0.83 0
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313812 126617959 1 O6C25H48 A6B25C48 -366.41 6.37 -10.51 0.49 0
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313813 126617984 1 ClF4N4O5C28H29 AB4C4D5E28F29 -384.97 2.16 -10.0 -1.29 0
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313814 126617986 1 ClFO3N4H22C25 ABC3D4E22F25 -97.4 12.46 -8.57 -0.9 0
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313815 126618016 1 Cl2F3O4N8H29C32 A2B3C4D8E29F32 -168.61 3.15 -9.55 -1.36 0
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313816 126618017 2 NOC11H12 ABC11D12 -54.63 3.0 -9.08 -0.52 0
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313817 126618040 1 ClO4F6N9H26C31 AB4C6D9E26F31 -296.02 4.13 -9.12 -1.7 0
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313818 126618043 1 ClF4N5O5H30C31 AB4C5D5E30F31 -328.74 12.69 -9.58 -1.16 0
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313819 126618064 1 ION2H7C11 ABC2D7E11 50.12 3.41 -8.76 -1.02 0
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313820 126618065 1 ION3H8C11 ABC3D8E11 46.59 2.5 -8.31 -0.73 0
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313821 126618112 1 SO16N18C61H98 AB16C18D61E98 -698.45 7.51 -8.92 -0.35 0
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313822 126618113 1 BrClPN3O9C21H26 ABCD3E9F21G26 -430.84 5.25 -9.76 -1.53 0
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313823 126618115 1 BrFN2O5C9H10 ABC2D5E9F10 -243.46 4.56 -10.25 -1.56 0
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313824 126618119 1 BrClPN3O9C21H26 ABCD3E9F21G26 -442.54 5.06 -9.72 -1.2 0
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313825 126618121 1 BrClPN3O9C22H22 ABCD3E9F22G22 -396.87 7.03 -9.41 -1.32 0
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313826 126618135 1 BrClPN3O10C23H30 ABCD3E10F23G30 -474.95 8.86 -9.52 -1.08 0
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313827 126618157 1 BrClPN3O10C22H28 ABCD3E10F22G28 -458.98 5.65 -9.75 -1.54 0
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313828 126618168 1 BrFPN3O9C21H26 ABCD3E9F21G26 -478.32 10.05 -9.68 -1.09 0
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313829 126618169 1 BrClO10H26C29 ABC10D26E29 -352.25 0.72 -9.32 -1.14 0
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313830 126618184 1 ClSN2O4H15C17 ABC2D4E15F17 -99.68 3.18 -9.06 -1.12 0
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313831 126618190 1 SN2O6C28H34 AB2C6D28E34 -219.5 2.63 -8.9 -0.87 -1
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313832 126618195 1 SN3O6C20H20 AB3C6D20E20 -62.06 8.3 0.0 0.0 0
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313833 126618197 1 ClSN3O4H14C16 ABC3D4E14F16 -61.61 3.0 -9.13 -1.22 0
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313834 126618198 1 SN3O4H17C20 AB3C4D17E20 -36.25 5.05 -8.98 -1.2 0
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313835 126618199 1 SN3O5H15C17 AB3C5D15E17 -76.89 5.95 -9.42 -1.09 0
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313836 126618201 1 SN4O4H12C15 AB4C4D12E15 -18.48 2.54 -9.64 -1.37 0
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313837 126618202 1 O7C15H34 A7B15C34 -333.22 5.45 -9.76 1.48 0
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313838 126618203 1 SN2O6H22C23 AB2C6D22E23 -164.39 3.7 -9.54 -1.49 0