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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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310028 126572954 1 BrFN2O2H4C9 ABC2D2E4F9 6.34 2.59 -10.15 -2.26 0
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310029 126572957 1 NO3S3C22H39 AB3C3D22E39 -135.53 3.01 -9.1 -1.52 0
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310030 126572958 1 S2N3C12H15 A2B3C12D15 68.77 7.12 -8.77 -0.72 0
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310031 126573001 2 O2C5H5 A2B5C5 -59.69 5.43 -9.25 -1.08 0
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310032 126573004 1 FN3O3C37H48 AB3C3D37E48 -162.86 6.17 -8.5 -0.07 0
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310033 126573011 1 O3N4C37H46 A3B4C37D46 -78.12 7.75 -8.57 -0.61 0
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310034 126573018 1 BrN2O3C20H31 AB2C3D20E31 -158.76 6.45 -8.84 -0.41 0
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310035 126573025 1 N3O3C39H53 A3B3C39D53 -140.28 6.91 -8.47 -0.05 0
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310036 126573029 1 FN3O3C37H48 AB3C3D37E48 -163.54 4.93 -8.53 -0.11 0
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310037 126573031 1 ClFN3O3C36H45 ABC3D3E36F45 -165.71 6.1 -8.55 -0.36 0
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310038 126573084 1 F3N3O4C37H46 A3B3C4D37E46 -313.61 7.54 -8.55 -0.37 0
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310039 126573102 1 F3N3O4C38H48 A3B3C4D38E48 -312.47 11.07 -8.54 -0.54 0
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310040 126573103 1 FN3O3C38H50 AB3C3D38E50 -175.13 6.15 -8.66 -0.14 0
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310041 126573105 1 BrFNC17H17 ABCD17E17 -8.58 2.45 -8.97 -0.06 0
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310042 126573115 1 F3N3O3C38H48 A3B3C3D38E48 -279.43 4.74 -8.56 -0.46 0
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310043 126573117 1 Cl2N3O3C36H45 A2B3C3D36E45 -129.3 7.25 -8.55 -0.43 0
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310044 126573126 1 F3N3O4C37H46 A3B3C4D37E46 -303.65 8.02 -8.54 -0.38 0
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310045 126573167 1 Cl2N3O3C36H45 A2B3C3D36E45 -128.59 6.14 -8.55 -0.44 0
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310046 126573187 1 ClSN2O4H7C11 ABC2D4E7F11 -19.82 7.88 -10.24 -1.94 0
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310047 126573193 1 NSO2C11H21 ABC2D11E21 -110.07 5.81 -8.5 -0.86 0
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310048 126573203 1 ClOSN3F8H18C23 ABCD3E8F18G23 -373.87 5.44 -8.92 -1.56 0
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310049 126573306 2 NOC5H10 ABC5D10 -108.93 5.88 -9.14 0.85 0
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310050 126573312 1 N2O3C14H26 A2B3C14D26 -162.65 1.93 -8.88 1.1 0
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310051 126573343 2 FNC6H11 ABC6D11 -109.97 2.48 -9.14 2.05 0
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310052 126573344 1 N3O5C26H37 A3B5C26D37 -141.07 2.58 -8.94 0.01 0
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310053 126573348 1 F2N2O5C27H42 A2B2C5D27E42 -267.82 1.85 -9.29 0.46 0
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310054 126573357 1 N2O5C25H40 A2B5C25D40 -158.14 5.82 -9.13 0.76 0
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310055 126573367 1 F2N2O3C19H30 A2B2C3D19E30 -226.36 3.25 -9.23 0.56 0
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310056 126573375 1 N2O7C28H44 A2B7C28D44 -250.4 4.46 -9.41 0.53 0
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310057 126573387 1 N3O6C23H37 A3B6C23D37 -207.81 2.69 -9.26 0.34 0
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310058 126573395 1 N2O6C25H34 A2B6C25D34 -166.3 4.11 -9.26 -0.41 0
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310059 126573406 1 N2O6C23H36 A2B6C23D36 -213.23 5.85 -9.57 0.27 0
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310060 126573426 1 N2O6C27H38 A2B6C27D38 -175.08 5.96 -9.25 -0.28 0
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310061 126573453 1 NSO5C7H11 ABC5D7E11 -184.04 8.08 -10.18 -0.14 0
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310062 126573454 1 N2O5C26H42 A2B5C26D42 -176.21 5.31 -9.01 0.77 2
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310063 126573456 1 P2N11O12C20H25 A2B11C12D20E25 -371.7 26.87 -7.8 -1.6 0
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310064 126573468 1 N2O3C10H18 A2B3C10D18 -137.03 5.67 -9.14 0.79 0
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310065 126573547 1 N3O6C28H47 A3B6C28D47 -227.1 7.75 -9.04 0.61 0
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310066 126573599 1 SN5O5C28H37 AB5C5D28E37 -166.33 5.48 -8.59 -1.39 0
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310067 126573614 1 NO6C18H19 AB6C18D19 -226.84 5.41 -8.7 -1.34 0
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310068 126573634 1 ClN3O4C23H28 AB3C4D23E28 -146.77 3.85 -8.93 -1.44 0
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310069 126573671 1 N3O5C22H29 A3B5C22D29 -204.19 6.34 -8.88 -1.02 0
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310070 126573728 1 N4O5C24H30 A4B5C24D30 -179.98 8.85 -9.1 -1.5 0
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310071 126573737 1 N3O3C19H25 A3B3C19D25 -100.21 9.65 -9.08 -0.92 0
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310072 126573744 1 N3O3C19H25 A3B3C19D25 -99.37 8.25 -8.82 -0.98 0
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310073 126573760 1 F2N3H19C20 A2B3C19D20 -24.24 4.94 -8.67 -0.66 0
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310074 126573767 1 N2Cl4O5H8C21 A2B4C5D8E21 -77.93 0.39 -9.65 -1.96 0
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310075 126573776 1 FOCl2N5C16H16 ABC2D5E16F16 -5.3 2.15 -9.0 -1.17 0
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310076 126573782 1 FN3C20H20 AB3C20D20 47.24 2.4 -8.76 -0.61 0
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310077 126573852 1 FN2O4C37H47 AB2C4D37E47 -198.55 7.11 -8.37 -0.26 0
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310078 126573923 1 FN2O6C40H51 AB2C6D40E51 -274.84 6.52 -8.85 -0.52 0
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310079 126573933 1 N2O3C8H12 A2B3C8D12 -110.15 1.27 -10.13 0.32 0
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310080 126573977 1 N2O3C16H28 A2B3C16D28 -139.75 3.26 -8.82 0.92 0
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310081 126574003 1 FN2O5C38H49 AB2C5D38E49 -201.72 7.55 -8.04 -0.36 0
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310082 126574011 1 ON3C16H23 AB3C16D23 -19.41 4.21 -8.91 0.43 0
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310083 126574014 1 FN2O5C38H49 AB2C5D38E49 -231.86 2.99 -8.35 -0.28 0
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310084 126574046 1 BrN2O3C23H35 AB2C3D23E35 -140.59 4.02 -8.38 -0.24 0
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310085 126574079 1 ON3C16H23 AB3C16D23 -28.8 3.81 -8.92 0.38 0
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310086 126574131 1 BrN3O5C25H36 AB3C5D25E36 -236.01 4.06 -9.12 -0.75 0
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310087 126574139 1 BrN2O3C25H39 AB2C3D25E39 -164.57 2.06 -8.27 -0.07 0
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310088 126574143 1 FN2O4C36H45 AB2C4D36E45 -195.39 6.15 -8.52 -0.28 0
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310089 126574144 1 BrFN2O4C38H48 ABC2D4E38F48 -194.32 1.88 -8.32 -0.23 0
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310090 126574147 1 BrN2O3C24H37 AB2C3D24E37 -168.09 4.88 -8.93 -0.19 0
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310091 126574176 1 FN3O6C39H50 AB3C6D39E50 -286.02 6.81 -8.46 -0.3 0
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310092 126574182 1 FN2O5C35H43 AB2C5D35E43 -235.08 5.93 -8.5 -0.16 0
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310093 126574225 1 N3O4C36H45 A3B4C36D45 -149.27 5.78 -8.42 -0.28 0
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310094 126574250 1 BrN2O3C23H35 AB2C3D23E35 -137.7 1.7 -8.53 -0.2 0
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310095 126574277 1 BrN2O3C25H39 AB2C3D25E39 -175.27 4.3 -8.66 -0.23 0
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310096 126574303 1 BrN2O3C20H27 AB2C3D20E27 -130.76 3.05 -9.07 -0.68 0
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310097 126574306 2 OC14H18 AB14C18 -101.26 2.25 -9.37 -0.54 0
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310098 126574314 1 BrN2O4C24H37 AB2C4D24E37 -192.17 4.55 -8.61 -0.44 0
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310099 126574358 1 BrN2O4H11C12 AB2C4D11E12 -58.17 7.95 -9.36 -1.84 0
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310100 126574359 1 BrN2O4H11C12 AB2C4D11E12 -57.31 8.91 -9.28 -1.37 0
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310101 126574387 1 FN3O4C13H16 AB3C4D13E16 -125.55 9.64 -9.2 -1.57 0
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310102 126574408 1 BrN3O4H14C17 AB3C4D14E17 -29.92 3.07 -9.39 -1.9 0
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310103 126574412 1 FON5C15H20 ABC5D15E20 -22.66 8.2 -9.51 -0.57 0
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310104 126574420 1 SN4O4C37H46 AB4C4D37E46 -126.9 6.01 -8.29 -0.32 0
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310105 126574421 1 SO3N4C37H46 AB3C4D37E46 -92.11 6.92 -8.43 -0.32 0
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310106 126574441 1 O3N7C36H47 A3B7C36D47 -67.23 6.77 -8.6 -0.28 0
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310107 126574445 1 O10C25H46 A10B25C46 -527.69 6.29 -10.49 0.16 0
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310108 126574447 1 NF2O7C18H19 AB2C7D18E19 -370.42 6.93 -10.12 -1.05 0
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310110 126574480 1 Cl2F2O2N3H7C14 A2B2C2D3E7F14 -104.26 5.71 -9.14 -1.56 0
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310111 126574490 1 SF3O3N6H15C16 AB3C3D6E15F16 -167.36 5.52 -10.35 -1.87 0
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310112 126574561 1 SF3O3N4H17C18 AB3C3D4E17F18 -214.39 10.85 -9.4 -1.32 0
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310113 126574583 1 FSN4O4C21H23 ABC4D4E21F23 -146.5 6.0 -9.01 -0.98 0
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310114 126574635 1 FSO3N4C20H21 ABC3D4E20F21 -97.4 3.79 -9.03 -1.04 0
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310115 126574779 1 O2P3C6N9H16 A2B3C6D9E16 -80.95 3.85 -7.91 -1.78 0
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310116 126574785 1 NO3H11C17 AB3C11D17 -33.3 3.49 -9.89 -1.93 0
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310117 126574792 1 SN2O2F4H12C16 AB2C2D4E12F16 -203.68 4.03 -9.66 -1.8 0
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310118 126574793 1 FNSO2H12C15 ABCD2E12F15 -40.59 7.02 -9.45 -1.76 0
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310119 126574794 1 O10C47H70 A10B47C70 -535.35 6.31 -10.1 -0.43 0
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310120 126574881 1 NOC18H25 ABC18D25 -56.95 3.56 -8.93 -0.78 0
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310121 126574906 1 Cl2N2O2H14C19 A2B2C2D14E19 16.86 3.17 -8.61 -0.68 0
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310122 126574911 1 ClSN2F3O5H18C21 ABC2D3E5F18G21 -323.14 4.48 -8.97 -1.42 0
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310123 126574920 1 O3C8H10 A3B8C10 -97.19 5.67 -9.2 -0.51 0
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310124 126574929 1 Cl3N5H28C32 A3B5C28D32 107.68 4.4 -8.74 -0.77 0
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310125 126574935 1 ClON5H22C23 ABC5D22E23 67.64 3.27 -8.92 -0.8 0
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310126 126574972 1 SF3N4O8H39C41 AB3C4D8E39F41 -255.5 16.68 -6.86 -1.01 0
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310127 126574978 1 FSO2H9C14 ABC2D9E14 -57.28 1.08 -8.66 -1.01 0
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310128 126574979 1 NOC12H13 ABC12D13 7.78 0.43 -7.8 -0.26 0