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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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388721 134989992 1 BrS2N3C8H8 AB2C3D8E8 24.69 6.2 -8.72 -1.36 0
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388722 134989993 1 NS2Cl3H4O5C7 AB2C3D4E5F7 18.07 9.27 -9.55 -3.84 0
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388723 134989994 1 N3S3O4C5H11 A3B3C4D5E11 -155.79 9.52 -8.46 -0.8 0
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388724 134989995 2 NOC5H5 ABC5D5 75.52 5.24 -9.8 -0.81 0
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388725 134989996 1 O2N5C8H9 A2B5C8D9 39.35 8.54 -9.37 -1.77 0
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388726 134989997 1 PSiN2O4C9H15 ABC2D4E9F15 -252.99 2.62 -9.74 -1.49 0
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388727 134989998 1 NaC2P3H4 AB2C3D4 -21.39 7.47 -6.38 0.43 0
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388728 134989999 1 ClNOSeC14H20 ABCDE14F20 -35.88 9.13 -8.83 -2.02 0
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388729 134990000 1 O2N3H5F6C7 A2B3C5D6E7 -317.73 3.17 -11.36 -1.58 0
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388730 134990013 1 O2C15H16 A2B15C16 -60.09 4.15 -9.09 -0.84 1
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388731 134990014 1 N3O3C4H6 A3B3C4D6 -27.96 8.51 0.0 0.0 0
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388732 134990015 1 N5H7C10 A5B7C10 107.78 4.09 -9.15 -1.34 0
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388733 134990028 1 BrS2N3C8H14 AB2C3D8E14 18.42 7.84 -8.14 -1.08 0
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388734 134990040 1 NCl2H9C11 AB2C9D11 23.94 5.38 -8.97 -1.09 0
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388735 134990041 1 ClON4H5C7 ABC4D5E7 56.87 4.04 -9.58 -1.74 0
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388736 134990042 1 ClN4H7C8 AB4C7D8 79.26 5.28 -9.9 -1.71 0
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388737 134990046 1 SN3H9C10 AB3C9D10 89.33 6.02 -8.72 -1.09 0
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388738 134990055 1 ClN2Se2H9C12 AB2C2D9E12 83.89 12.2 -8.4 -2.46 0
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388739 134990056 1 ClNSSeH4C6 ABCDE4F6 78.94 3.18 -8.77 -2.29 0
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388740 134990059 1 BF2O3C13H15 AB2C3D13E15 -346.44 8.17 -9.41 -1.13 0
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388741 134990060 1 ClNO3H10C13 ABC3D10E13 -58.28 2.19 -9.57 -1.54 1
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388742 134990062 1 ON2C9H15 AB2C9D15 -4.07 2.45 0.0 0.0 0
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388743 134990064 1 SF2O2H8C12 AB2C2D8E12 -118.13 5.12 -8.88 -1.72 0
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388744 134990067 1 BrSF2O2H3C9 ABC2D2E3F9 -110.92 2.88 -9.72 -1.52 0
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388745 134990068 1 OSH12C13 ABC12D13 18.39 5.91 -8.78 -1.27 0
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388746 134990071 2 BrN2H3C4 AB2C3D4 75.93 3.51 -9.76 -1.83 0
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388747 134990072 1 ClN2C9H13 AB2C9D13 3.99 2.33 -9.43 -0.58 0
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388748 134990075 1 PN2C10H13 AB2C10D13 35.13 3.43 -8.24 -0.69 -1
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388749 134990077 1 P2C7H11 A2B7C11 25.97 3.67 0.0 0.0 0
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388750 134990091 1 ON4C13H16 AB4C13D16 32.81 4.46 -9.4 -0.55 0
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388751 134990092 1 ON4C13H16 AB4C13D16 27.44 3.23 -9.26 -0.5 0
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388752 134990096 1 BrO2C11H15 AB2C11D15 -85.45 4.98 -10.18 -0.45 0
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388753 134990099 1 PSC9H11 ABC9D11 26.01 5.77 -8.59 -0.58 0
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388754 134990105 1 ON2S3H4C5 AB2C3D4E5 39.83 1.33 -9.27 -2.28 0
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388755 134990107 1 N3O3C5H9 A3B3C5D9 -105.41 6.99 -8.01 0.43 1
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388757 134990117 1 S2H3N3C5 A2B3C3D5 101.94 2.45 -9.85 -1.91 0
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388758 134990118 1 AlClPS2Br3C7H7 ABCD2E3F7G7 -130.57 13.57 0.0 0.0 0
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388761 134990132 1 N7O32C93H105 A7B32C93D105 -1046.15 11.3 -9.2 -0.35 0
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388762 134990133 1 NO3C18H31 AB3C18D31 -142.18 3.08 -9.44 -0.04 0
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388763 134990137 1 SN3O5C25H25 AB3C5D25E25 -160.68 12.46 -8.22 -0.31 1
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388764 134990138 1 O2N3C18H18 A2B3C18D18 -47.3 4.66 0.0 0.0 0
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388767 134990145 1 SSiN3O5C19H27 ABC3D5E19F27 -233.84 5.43 -9.38 -0.42 0
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388770 134990154 1 SCl3N4O11H43C45 AB3C4D11E43F45 -355.97 2.78 -9.06 -0.7 0
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388772 134990160 2 NOC8H11 ABC8D11 6.51 5.97 -10.66 -1.51 0
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388773 134990167 1 N2S2O7C22H22 A2B2C7D22E22 -216.53 7.02 -9.35 -0.84 0
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388776 134990170 1 SN3O8H23C24 AB3C8D23E24 -196.67 5.43 -9.59 -1.4 0
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388778 134990173 1 NO2C18H23 AB2C18D23 -71.41 3.91 -9.48 -0.01 0
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388779 134990175 1 O6C29H44 A6B29C44 -258.38 3.62 -9.5 0.7 0
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388780 134990179 1 O5C27H40 A5B27C40 -220.07 6.23 -9.5 0.7 0
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388781 134990188 1 SF2N3O3C21H21 AB2C3D3E21F21 -130.69 9.04 -9.9 -0.62 0
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388782 134990189 1 NO2C17H19 AB2C17D19 -5.85 4.13 -8.16 0.3 0
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388783 134990197 1 O9C22H22 A9B22C22 -307.64 5.11 -8.89 -0.49 0
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388784 134990198 1 SO12C26H30 AB12C26D30 -461.29 7.0 -9.9 -0.76 0
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388785 134990199 1 NOF3C10H10 ABC3D10E10 -154.66 2.4 -9.96 -0.61 0
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388786 134990201 1 NS2O4C24H25 AB2C4D24E25 -103.22 4.96 -7.56 -0.57 0
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388787 134990205 1 N3O5C25H33 A3B5C25D33 -165.18 5.05 -8.94 -0.23 0
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388790 134990214 1 N3O4C27H29 A3B4C27D29 -68.49 7.07 -8.82 -0.8 0
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388792 134990220 1 N2O3C21H26 A2B3C21D26 -119.13 6.06 -8.2 0.14 0
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388793 134990228 1 ON3C22H25 AB3C22D25 46.07 2.9 -8.96 -0.44 0
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388794 134990231 2 N2O2C9H10 A2B2C9D10 -122.13 4.38 -8.53 -0.12 0
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388795 134990232 1 SN2O11C28H44 AB2C11D28E44 -467.84 2.59 -8.59 -1.54 0
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388797 134990248 1 SN6O9H40C46 AB6C9D40E46 -119.32 7.03 -9.29 -1.07 0
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388798 134990249 1 N2S2O7C30H30 A2B2C7D30E30 -198.06 5.09 -9.12 -0.64 0
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388799 134990254 1 N8O9C23H28 A8B9C23D28 -310.37 10.03 -9.24 -0.76 0
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388800 134990258 1 ClS2N5O7C17H18 AB2C5D7E17F18 -162.99 9.84 -9.03 -1.24 0
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388801 134990259 2 N4O4C20H27 A4B4C20D27 -318.15 6.54 -8.58 -0.14 2
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388804 134990279 1 N6O12C31H48 A6B12C31D48 -535.02 6.83 -9.19 0.12 0
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388805 134990284 1 OCl2N2C15H16 AB2C2D15E16 -18.67 6.9 -8.69 -1.57 0
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388806 134990287 1 BrClNO2H15C21 ABCD2E15F21 -10.67 3.85 -9.7 -0.57 0
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388807 134990295 1 Cl2N2O3C12H14 A2B2C3D12E14 -132.09 4.37 -8.8 -0.61 0
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388808 134990297 1 S2N7O11C57H73 A2B7C11D57E73 -439.44 5.03 -8.86 -0.28 0
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388809 134990298 2 NO7C21H39 AB7C21D39 -663.74 3.72 -8.79 0.54 0
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388810 134990299 1 NO17C52H77 AB17C52D77 -771.86 4.47 -9.55 -0.41 0
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388811 134990300 2 N2O4C21H22 A2B4C21D22 -154.45 5.69 -7.8 -1.24 0
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388813 134990303 1 Si2F3O5C30H49 A2B3C5D30E49 -498.68 4.99 -8.93 -0.78 0
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388814 134990304 1 O5C23H30 A5B23C30 -227.87 4.51 -9.46 -0.36 0
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388815 134990305 1 SN6O8H36C40 AB6C8D36E40 -118.42 7.46 -9.2 -1.16 0
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388816 134990307 1 O3C29H48 A3B29C48 -174.98 4.78 -9.53 0.19 0
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388817 134990308 1 NO4C20H21 AB4C20D21 -113.34 2.9 -8.77 -0.01 0
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388821 134990316 1 NSnO2C29H43 ABC2D29E43 -81.38 3.61 -9.18 0.08 0
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388822 134990317 1 CaN2C5O5H6 AB2C5D5E6 -271.64 7.37 -9.63 -1.51 0
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388823 134990318 1 ON2H14C15 AB2C14D15 54.91 2.35 -8.38 -0.16 0
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388824 134990320 1 NP3C4O8H12 AB3C4D8E12 -491.81 4.61 -9.76 -0.43 0
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388826 134990322 1 O5H20C21 A5B20C21 -155.62 3.7 -9.56 -1.17 0
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388832 134990329 1 SN2O5C29H36 AB2C5D29E36 -194.2 2.98 -8.99 -0.16 0
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388833 134990330 1 NOC20H21 ABC20D21 10.66 4.34 -8.91 -0.43 0
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388834 134990338 1 SN2O2F3C30H33 AB2C2D3E30F33 -180.5 5.3 -8.55 -0.84 1
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388837 134990344 1 BrFO6C25H32 ABC6D25E32 -325.95 5.56 -9.9 -0.66 0
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388838 134990357 1 O3C25H44 A3B25C44 -170.21 3.81 -8.62 0.93 0
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388841 134990364 1 SN9O22C57H73 AB9C22D57E73 -854.48 7.69 -8.92 -1.22 0
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388846 134990389 4 OC6H9 AB6C9 -221.41 2.97 -8.88 0.66 0
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388847 134990400 1 ON2C16H16 AB2C16D16 13.85 3.11 -8.9 0.0 0
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388848 134990402 1 NO3C16H21 AB3C16D21 -120.23 2.54 -8.76 0.37 0
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388849 134990404 1 NO4C24H29 AB4C24D29 -159.77 1.25 -9.41 0.11 0
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388851 134990409 1 N6O13C54H66 A6B13C54D66 -498.04 1.43 -9.16 -0.45 0
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388852 134990410 1 N6O13C49H82 A6B13C49D82 -677.17 6.87 -9.09 -0.12 0
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388853 134990411 1 O10C25H26 A10B25C26 -379.78 2.52 -8.91 -1.71 0
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388855 134990417 1 ClSSi2N5O6C29H42 ABC2D5E6F29G42 -314.65 2.16 -8.83 -0.96 0
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388859 134990460 2 O3C15H17 A3B15C17 -194.74 1.5 -9.39 0.01 0
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388860 134990461 1 NO2C23H33 AB2C23D33 -100.34 4.44 -7.95 0.64 0