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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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20037 577257 1 OC13H18 AB13C18 -19.48 4.25 -9.42 0.56 0
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20038 577258 2 O2H5C6 A2B5C6 -89.61 4.77 -8.74 -1.65 0
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20039 577304 1 N2C17H18 A2B17C18 50.39 3.33 -8.15 -0.12 0
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20040 577371 1 NO3H19C24 AB3C19D24 -22.19 10.47 -8.68 -0.82 0
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20041 577454 1 Br2N2O3H12C14 A2B2C3D12E14 13.95 4.51 -9.08 -1.52 0
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20042 577522 1 NO2C17H17 AB2C17D17 -44.25 3.18 -9.6 -0.04 0
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20043 577572 1 ON4H12C15 AB4C12D15 75.22 2.68 -9.52 -1.1 0
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20044 577576 1 BO3H7C8 AB3C7D8 -160.78 3.92 -9.88 -0.96 0
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20045 577577 1 O4H10C11 A4B10C11 -144.32 7.68 -9.75 -1.36 0
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20046 577595 1 BrNO4H10C18 ABC4D10E18 -84.44 3.19 -8.99 -1.46 0
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20047 577633 1 BrC10H15 AB10C15 26.27 2.74 -9.06 -0.22 0
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20048 577638 1 NCl2O3C16H19 AB2C3D16E19 -136.28 6.37 -9.98 -0.27 0
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20049 577655 1 ON3C12H19 AB3C12D19 7.06 2.57 -8.57 -0.27 0
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20050 577656 1 SnC12H12 AB12C12 201.89 0.01 -10.16 1.67 0
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20051 577659 2 OC6H8 AB6C8 -90.88 2.6 -9.34 0.22 0
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20052 577744 3 OC4H4 AB4C4 -108.2 4.21 -9.31 -0.26 0
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20053 577748 1 NiPC11H23 ABC11D23 84.12 4.35 -7.13 0.69 -5
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20054 577770 1 O2N3H5C7 A2B3C5D7 -54.29 3.63 -10.38 -1.39 0
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20055 577851 1 NPSi2O4C16H30 ABC2D4E16F30 -421.55 1.47 -9.02 -0.28 0
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20056 577871 1 ClNO3C16H20 ABC3D16E20 -128.32 4.39 -9.69 0.03 0
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20057 577914 1 O3C15H20 A3B15C20 -128.43 3.22 -8.85 0.23 0
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20058 577918 1 ON2Cl3C18H27 AB2C3D18E27 -87.62 4.18 -8.76 -0.61 0
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20059 577919 1 ClO3C15H23 AB3C15D23 -160.11 5.2 -9.72 0.48 0
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20060 577965 1 N2O3C24H30 A2B3C24D30 -107.87 6.83 -8.52 0.32 0
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20061 577987 1 SN4C15H22 AB4C15D22 51.36 3.38 -8.6 -0.58 0
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20062 578017 1 O4H8C9 A4B8C9 -116.31 0.66 -9.09 -0.3 0
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20063 578019 1 N2O3H11F13C17 A2B3C11D13E17 -729.19 5.66 -9.42 -1.02 0
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20064 578037 1 ClNO4H10C14 ABC4D10E14 -105.41 0.85 -9.5 -1.33 0
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20065 578039 2 OC5H6 AB5C6 -61.09 0.94 -8.71 0.05 0
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20066 578143 4 C3H5 A3B5 -23.83 0.42 -9.38 1.53 0
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20067 578240 2 NOH5C6 ABC5D6 -25.82 7.73 -8.94 -0.89 0
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20068 578276 1 N4O7C40H50 A4B7C40D50 -255.62 6.39 -9.24 -0.48 0
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20069 578391 1 SN2O3H18C19 AB2C3D18E19 -63.13 9.26 -8.38 -1.65 0
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20070 578422 1 OC12H18 AB12C18 -46.82 2.91 -9.14 0.74 0
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20071 578503 1 SN8C10H12 AB8C10D12 183.99 7.46 -9.13 -1.98 0
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20072 578683 2 O2C22H29 A2B22C29 -96.74 4.63 -8.45 -1.08 0
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20073 578697 1 SN4C12H18 AB4C12D18 58.1 2.71 -9.12 -0.48 0
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20074 578743 1 SiO2C20H36 AB2C20D36 -160.29 2.86 -8.9 0.17 0
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20075 578780 1 NO2F5C14H16 AB2C5D14E16 -329.21 5.69 -8.76 -0.2 0
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20076 578821 1 OC27H42 AB27C42 -85.3 4.11 -9.31 -0.42 0
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20077 578834 1 NO2C13H19 AB2C13D19 -98.86 5.13 -8.63 0.16 0
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20078 578835 1 O2C21H28 A2B21C28 -93.06 2.87 -9.85 -0.43 0
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20079 578843 1 NOC8H11 ABC8D11 14.29 2.91 -9.92 0.07 0
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20080 578900 1 SCl2N2O3H12C13 AB2C2D3E12F13 -74.31 5.37 -8.81 -1.42 0
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20081 578927 1 O3C15H20 A3B15C20 -130.77 7.1 -9.83 -0.5 0
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20082 578936 1 FC18H27 AB18C27 -76.92 2.48 -9.29 0.09 0
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20083 578957 1 C15H26 A15B26 -40.21 0.56 -8.96 1.7 0
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20084 578968 1 NOC7H9 ABC7D9 -22.61 5.56 -8.81 0.1 0
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20085 578971 1 FSO2N3H14C16 ABC2D3E14F16 -17.82 6.11 -8.71 -0.8 0
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20086 578989 1 NC9H15 AB9C15 0.23 2.62 -8.46 1.42 0
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20087 579017 1 O4N5H11C13 A4B5C11D13 91.15 6.02 -9.55 -2.09 0
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20088 579056 1 NO2C10H15 AB2C10D15 -72.33 3.64 -9.05 0.91 0
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20089 579063 1 SN2O3H4C7 AB2C3D4E7 -17.74 1.95 -9.77 -1.91 0
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20090 579087 2 OC10H12 AB10C12 23.85 3.5 -8.8 -0.47 0
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20091 579089 1 SN5C13H13 AB5C13D13 77.03 2.8 -8.82 -0.67 0
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20092 579097 1 N3O3C16H17 A3B3C16D17 -59.23 3.67 -8.12 -0.66 0
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20093 579134 1 FO2C22H35 AB2C22D35 -180.89 0.67 -10.07 -0.81 0
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20094 579219 2 OC9H9 AB9C9 -9.46 2.69 -8.7 -0.45 0
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20095 579248 1 FO2C12H15 AB2C12D15 -131.42 0.48 -10.12 -0.9 0
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20096 579254 1 O13C32H52 A13B32C52 -568.99 14.22 -8.77 -2.02 0
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20097 579277 1 SO2C10H18 AB2C10D18 -114.28 5.93 -10.36 0.94 0
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20098 579294 2 OC6H10 AB6C10 -117.11 2.06 -9.06 0.98 0
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20099 579297 1 OC12H20 AB12C20 -62.88 3.49 -9.1 0.48 0
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20100 579313 1 FO2C17H25 AB2C17D25 -154.82 0.82 -10.08 -0.84 0
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20101 579316 1 FO2C17H25 AB2C17D25 -156.72 2.11 -10.19 -0.73 0
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20102 579319 1 NO2C12H19 AB2C12D19 -87.37 1.77 -8.68 0.02 0
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20103 579321 1 OCl2N2H10C12 AB2C2D10E12 11.88 2.58 -9.45 -0.87 0
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20104 579322 1 FO2H11C14 AB2C11D14 -83.47 1.6 -9.71 -0.8 0
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20105 579376 1 NF2S2O3H9C17 AB2C2D3E9F17 -107.86 2.88 -8.81 -1.34 0
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20106 579386 1 FON5H6C8 ABC5D6E8 51.14 3.75 -10.65 -1.94 0
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20107 579407 1 NO2F8H11C17 AB2C8D11E17 -440.39 6.78 -9.28 -0.88 0
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20108 579426 1 F2O3H8C14 A2B3C8D14 -157.83 2.48 -10.34 -1.32 0
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20109 579427 1 FN3O3H6C10 AB3C3D6E10 -12.0 7.54 -10.62 -1.64 0
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20110 579472 1 F2O3N4H10C16 A2B3C4D10E16 -58.51 6.88 -9.66 -1.3 0
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20111 579510 1 ON2F8H10C16 AB2C8D10E16 -389.22 3.97 -9.73 -0.96 0
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20112 579512 1 ON2F7H17C19 AB2C7D17E19 -361.27 4.97 -9.08 -0.92 0
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20113 579520 1 ClFO3H10C15 ABC3D10E15 -130.21 1.18 -9.36 -1.32 0
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20114 579541 1 FN2O4H13C21 AB2C4D13E21 -32.8 5.08 -8.99 -1.66 0
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20115 579548 1 FO2C14H17 AB2C14D17 -132.74 1.92 -10.11 -0.78 0
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20116 579551 1 FN2O3H13C14 AB2C3D13E14 -116.88 3.85 -9.37 -0.81 0
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20117 579557 1 FNOH14C15 ABCD14E15 -47.01 3.72 -9.37 -0.59 0
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20118 579563 1 ON3C13H13 AB3C13D13 14.6 7.28 -8.73 -0.82 0
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20119 579577 2 NO2C10H12 AB2C10D12 -134.33 5.11 -8.36 0.05 0
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20120 579580 1 N2F3O4C13H15 A2B3C4D13E15 -308.01 4.32 -8.77 -0.23 0
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20121 579587 1 ON2C8H12 AB2C8D12 -4.02 2.76 -8.22 0.04 0
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20122 579720 1 FOSCl2H9C15 ABCD2E9F15 -26.54 2.4 -9.27 -1.15 0
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20123 579740 1 FNOC14H18 ABCD14E18 -83.69 4.49 -9.26 -0.36 0
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20124 579741 2 O2C4H5 A2B4C5 -134.03 0.88 -9.83 -0.43 0
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20125 579800 1 ClFN3O3H13C15 ABC3D3E13F15 -57.8 8.66 -9.18 -1.17 0
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20126 579815 1 FIN2O2H10C14 ABC2D2E10F14 -38.36 3.18 -9.62 -1.23 0
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20127 579829 1 ON2S3H8C9 AB2C3D8E9 45.16 1.18 -8.97 -1.36 0
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20128 579832 1 ON2C19H22 AB2C19D22 -14.72 1.64 -8.47 0.34 0
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20129 579927 1 N2O2C19H32 A2B2C19D32 -120.52 5.63 -8.76 1.35 0
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20130 579940 1 O2C11H20 A2B11C20 -116.48 5.52 -10.27 0.55 0
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20131 579957 1 ON2C22H30 AB2C22D30 -30.99 2.41 -8.49 0.14 0
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20132 579974 6 CH2 AB2 -7.83 0.37 -10.01 1.35 -2
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20133 580008 2 O2C12H21 A2B12C21 -245.21 1.23 -9.77 0.71 0
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20134 580040 1 N2O2C15H28 A2B2C15D28 -116.31 2.55 -8.79 0.96 0
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20135 580041 1 NOC11H19 ABC11D19 -63.1 3.98 -8.71 0.57 0
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20136 580061 1 ON2C6H8 AB2C6D8 -10.03 2.82 -9.98 -0.81 0