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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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231947 87574976 1 SO2C12H14 AB2C12D14 -65.35 3.82 -8.87 -0.68 0
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231948 87574977 1 N2O2H24C27 A2B2C24D27 72.04 0.81 -8.37 -0.56 0
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231949 87574978 1 FO3H13C15 AB3C13D15 -113.4 2.88 -8.77 -0.56 0
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231950 87574979 1 ClNC17H38 ABC17D38 -26.01 90.79 -4.9 -3.28 0
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231951 87574982 1 NO3C7H13 AB3C7D13 -86.42 5.07 -10.08 -0.17 0
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231952 87574983 1 NSO5C26H31 ABC5D26E31 -199.47 0.4 -9.38 -0.04 0
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231953 87574984 1 NSO5C26H31 ABC5D26E31 -199.43 5.58 -9.56 -0.41 0
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231954 87574993 1 FN3O3H16C18 AB3C3D16E18 -64.46 5.24 -8.05 -1.11 0
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231955 87574996 1 BrClFON4H9C17 ABCDE4F9G17 86.06 7.98 -9.18 -2.06 0
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231956 87574999 2 NC8H18 AB8C18 -62.06 1.01 -8.48 2.59 0
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231957 87575000 1 ClN5O6H14C18 AB5C6D14E18 -58.34 4.91 -9.71 -2.46 0
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231959 87575002 1 SC15H16 AB15C16 34.31 1.93 -8.92 0.16 0
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231960 87575004 1 ClNS2C4O5H10 ABC2D4E5F10 -229.72 3.54 -10.93 -1.25 0
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231961 87575008 1 MgO2C7H14 AB2C7D14 -82.81 4.82 -7.54 -2.12 0
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231962 87575009 1 SN2O2C8H12 AB2C2D8E12 -77.85 5.45 -9.38 -0.88 0
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231963 87575010 1 ClSO4C9H15 ABC4D9E15 -183.4 5.62 -10.9 -0.93 0
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231964 87575013 1 O2N3F7C26H26 A2B3C7D26E26 -401.99 3.92 -9.51 -1.04 0
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231965 87575015 1 PSN2O12C16H29 ABC2D12E16F29 -620.7 4.43 -9.9 -0.88 0
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231966 87575021 1 AgOC8H12 ABC8D12 -22.26 1.07 0.0 0.0 0
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231967 87575022 1 SiO3C4H5 AB3C4D5 -123.1 2.48 0.0 0.0 0
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231968 87575025 1 SO4C32H56 AB4C32D56 -267.27 3.01 -9.15 0.23 0
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231970 87575032 1 ISiN2O3C11H27 ABC2D3E11F27 -232.82 5.32 -8.66 -1.37 0
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231971 87575033 1 SeCl2N4C18H18 AB2C4D18E18 34.06 4.26 -9.4 -1.05 0
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231972 87575034 1 O5C16H26 A5B16C26 -208.37 4.61 -10.07 0.78 0
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231973 87575036 1 ClO3N7C18H26 AB3C7D18E26 -76.56 2.97 -8.92 -0.82 0
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231974 87575039 1 MgO4C18H34 AB4C18D34 -303.55 7.51 -10.18 -0.46 0
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231977 87575046 1 NO2C11H23 AB2C11D23 -126.66 5.88 -9.18 0.97 0
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231978 87575047 1 NS2O6C24H39 AB2C6D24E39 -251.92 8.86 -7.94 -0.3 0
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231979 87575048 1 NSO4C6H11 ABC4D6E11 -157.37 9.16 -8.8 -0.09 0
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231980 87575049 1 NO2C11H23 AB2C11D23 -126.68 5.89 -9.18 0.97 0
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231981 87575050 1 O3F5C9H11 A3B5C9D11 -386.47 6.86 -10.84 -0.28 0
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231982 87575051 1 AsNOC9H18 ABCD9E18 26.11 1.15 -8.14 -0.45 0
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231983 87575055 1 NO2H13C18 AB2C13D18 0.25 4.59 -8.8 -1.35 0
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231985 87575057 1 KNPSO6C12H15 ABCDE6F12G15 -243.44 32.75 -8.34 -1.6 0
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231986 87575067 2 SiO4C17H28 AB4C17D28 -419.93 4.68 -9.1 0.03 0
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231987 87575069 1 SO5C10H16 AB5C10D16 -217.41 7.65 -10.5 -0.59 0
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231988 87575074 1 NPO3C18H28 ABC3D18E28 -178.95 1.94 -8.72 0.28 0
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231989 87575075 2 O2C5H7 A2B5C7 -161.01 2.18 -10.2 -0.3 0
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231991 87575078 1 C39H80 A39B80 -201.03 0.08 -10.6 3.89 0
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231992 87575080 1 ClSN3O5H16C21 ABC3D5E16F21 -105.51 3.28 -9.28 -1.38 0
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231993 87575081 1 SiO4C16H22 AB4C16D22 -206.13 4.51 -9.24 -0.36 0
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231994 87575082 1 SiO4C15H20 AB4C15D20 -206.87 4.22 -9.16 -0.55 0
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231995 87575085 1 F3O3C4H5 A3B3C4D5 -282.09 1.28 -12.06 -0.49 0
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231997 87575088 1 NOTeH7C9 ABCD7E9 2.76 3.74 -8.3 -0.91 0
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231998 87575092 1 O2N3H21C23 A2B3C21D23 10.23 5.0 -9.36 -0.97 0
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231999 87575093 1 ClFNO3C20H23 ABCD3E20F23 -156.92 2.73 -9.03 -0.59 0
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232000 87575094 1 FNO3C20H22 ABC3D20E22 -123.97 2.89 -8.99 -0.15 0
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232001 87575095 1 NOSC13H27 ABCD13E27 -65.95 2.49 -8.42 0.54 0
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232002 87575096 1 NOSC13H27 ABCD13E27 -60.99 3.27 -8.31 0.4 0
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232004 87575100 1 ClON5C20H20 ABC5D20E20 46.14 6.62 -8.93 -0.85 0
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232005 87575101 1 SF2N3O3C21H27 AB2C3D3E21F27 -187.18 7.36 -9.09 -1.16 0
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232006 87575102 1 SnN3C9H15 AB3C9D15 96.74 0.74 -8.92 -0.66 0
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232007 87575108 1 SSeO3H8C9 ABC3D8E9 -82.21 6.56 -8.96 -1.19 0
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232008 87575115 2 OPSH18C20 ABCD18E20 -21.29 3.35 -8.43 -0.18 0
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232010 87575121 1 O2N3C14H17 A2B3C14D17 -24.2 5.01 -8.63 -0.44 0
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232011 87575132 1 BrOSC12H15 ABCD12E15 -27.23 4.2 -8.8 -0.69 0
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232012 87575133 1 F4O4N5H15C17 A4B4C5D15E17 -309.81 3.27 -9.26 -1.1 0
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232013 87575138 1 ClSN2O4C20H23 ABC2D4E20F23 -141.55 2.02 -9.08 -0.48 0
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232014 87575141 1 NOTeH7C9 ABCD7E9 1.85 4.1 -8.47 -0.88 0
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232015 87575142 1 SiO2C16H29 AB2C16D29 -145.28 1.11 0.0 0.0 0
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232016 87575145 1 SeO2H6C9 AB2C6D9 -44.21 5.27 -9.01 -1.05 1
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232017 87575151 1 PO2C18H42 AB2C18D42 -163.99 4.03 0.0 0.0 0
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232018 87575152 1 PO2C18H41 AB2C18D41 -185.37 5.6 -8.76 2.14 0
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232019 87575153 1 N2O5C25H46 A2B5C25D46 -308.57 1.4 -9.68 0.39 0
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232020 87575155 1 NbOC4H10 ABC4D10 99.74 2.67 0.0 0.0 0
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232021 87575160 1 SN2O2F3H7C11 AB2C2D3E7F11 -189.8 5.11 -9.59 -1.58 0
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232022 87575162 2 NO2C6H8 AB2C6D8 -25.67 9.28 -9.79 -0.93 0
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232023 87575170 1 STeO3H8C9 ABC3D8E9 -78.54 4.56 -8.6 -1.33 0
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232024 87575176 1 SeN2H6C12 AB2C6D12 118.81 5.52 -8.93 -1.65 0
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232025 87575177 1 ClOH11C14 ABC11D14 6.92 2.82 -9.37 -0.69 0
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232027 87575184 1 SO3N5C14H16 AB3C5D14E16 -20.47 2.11 0.0 0.0 2
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232028 87575196 1 P2O3C11H22 A2B3C11D22 -138.94 4.61 -8.83 -1.49 0
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232029 87575197 1 SiO4C17H36 AB4C17D36 -174.45 2.9 -7.31 -0.86 0
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232030 87575209 1 Cl2O2N3F6H27C28 A2B2C3D6E27F28 -360.23 2.92 -9.2 -1.14 0
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232031 87575210 1 SN2O2C14H14 AB2C2D14E14 -31.2 4.04 -8.51 -1.07 0