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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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380078 134964896 1 OC14H22 AB14C22 -37.59 3.46 -9.8 0.87 0
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380079 134964900 1 ClO2H15C16 AB2C15D16 -29.7 2.07 -8.71 -0.12 0
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380080 134964901 1 NO4C15H17 AB4C15D17 -134.17 3.19 -9.77 -0.45 0
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380081 134964903 1 O3C16H20 A3B16C20 -94.18 3.31 -9.77 -0.05 0
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380082 134964904 1 NOC18H19 ABC18D19 2.63 4.39 -9.03 -0.27 0
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380083 134964906 1 NOCl2C9H13 ABC2D9E13 -80.75 4.03 -9.79 -0.06 0
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380084 134964907 1 BrOSiC7H15 ABCD7E15 -78.88 2.97 -9.77 -0.39 0
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380086 134964911 1 NO3H15C19 AB3C15D19 37.43 6.84 -9.33 -0.81 0
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380087 134964916 1 OC14H22 AB14C22 -51.89 3.56 -9.82 0.85 0
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380088 134964920 1 NC15H25 AB15C25 -11.13 1.87 -8.22 1.38 0
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380089 134964922 1 OH14C15 AB14C15 21.69 1.65 -9.54 0.05 0
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380090 134964924 1 O2C15H20 A2B15C20 -79.48 1.66 -9.41 0.38 0
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380091 134964940 1 N3C17H17 A3B17C17 95.97 4.61 -9.95 -0.22 0
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380092 134964945 1 SiO3C14H28 AB3C14D28 -177.77 1.51 -9.4 0.37 0
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380094 134964955 1 N2C17H20 A2B17C20 50.29 2.28 -8.64 0.16 0
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380095 134964959 1 N2O3C15H19 A2B3C15D19 -77.07 9.18 0.0 0.0 1
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380096 134964962 1 NC9H18 AB9C18 11.71 0.66 0.0 0.0 0
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380097 134964966 2 OH8C9 AB8C9 -10.63 1.84 -9.6 -0.53 0
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380098 134964970 1 SO2N3C10H11 AB2C3D10E11 0.75 4.32 -9.37 -0.83 0
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380099 134964980 2 OC8H11 AB8C11 -72.25 3.38 -9.37 0.32 0
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380100 134964981 1 NO4C15H21 AB4C15D21 -185.78 1.32 -9.51 -0.17 0
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380101 134964989 1 NOC12H15 ABC12D15 -14.57 3.36 -9.6 0.17 0
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380102 134964990 1 NOSi2C14H23 ABC2D14E23 -107.07 2.04 -7.91 0.45 0
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380103 134965005 1 O2C13H16 A2B13C16 -56.67 4.25 -9.58 -0.48 0
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380104 134965011 1 BrF3H10C14 AB3C10D14 -119.62 3.3 -9.7 -0.64 0
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380105 134965012 1 OC12H22 AB12C22 -71.95 2.29 -9.82 1.39 0
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380106 134965021 1 N2O3C15H20 A2B3C15D20 -94.68 6.83 -8.5 -0.21 0
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380107 134965024 1 SO3C15H16 AB3C15D16 -88.97 2.64 -8.79 -0.35 0
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380108 134965025 1 OC16H24 AB16C24 -41.49 1.59 -9.42 0.32 0
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380109 134965036 1 FO2C14H17 AB2C14D17 -104.83 2.49 -8.57 -0.02 0
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380110 134965037 1 IN2H9C10 AB2C9D10 64.95 2.99 -8.26 -1.01 0
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380111 134965040 1 N2O5C19H22 A2B5C19D22 -148.7 6.4 -9.72 -0.03 0
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380112 134965043 1 OSiC15H30 ABC15D30 -88.36 2.43 -9.0 0.65 0
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380113 134965044 1 BrSiH15C16 ABC15D16 32.36 2.66 -8.92 -0.34 0
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380114 134965045 1 Cl2N2H10C15 A2B2C10D15 63.45 4.84 -9.71 -1.11 0
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380116 134965048 1 NOSiC12H26 ABCD12E26 -111.1 1.59 0.0 0.0 0
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380117 134965049 1 NF3O3C10H16 AB3C3D10E16 -246.66 5.6 -11.31 -0.82 0
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380118 134965052 1 ON2H14C15 AB2C14D15 33.7 1.46 -9.97 -0.25 0
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380119 134965053 1 OH16C18 AB16C18 53.42 2.48 -9.6 0.03 0
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380120 134965055 1 N3C14H15 A3B14C15 80.6 1.55 -8.1 -0.29 0
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380121 134965058 1 NSiH4C7 ABC4D7 135.72 4.04 0.0 0.0 0
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380122 134965059 1 OC14H14 AB14C14 26.29 0.66 -9.23 0.39 0
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380123 134965061 1 NSO3C13H15 ABC3D13E15 -94.81 4.39 -8.74 0.14 0
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380124 134965062 2 OC7H9 AB7C9 -77.07 2.05 -9.42 0.34 0
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380125 134965063 1 NF3H12C14 AB3C12D14 -111.75 2.18 -8.71 -0.25 1
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380126 134965065 1 O2N3C13H20 A2B3C13D20 -67.51 6.34 0.0 0.0 0
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380127 134965066 1 FO2C10H13 AB2C10D13 -145.1 2.04 -10.22 0.22 -1
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380129 134965074 1 N2O5C19H22 A2B5C19D22 -106.6 6.65 -9.53 -0.21 0
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380130 134965080 2 NOC7H10 ABC7D10 -77.15 3.46 -9.73 -0.39 0
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380131 134965082 1 ClOSH9C11 ABCD9E11 9.3 2.89 -8.91 -0.59 0
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380132 134965085 1 OC14H20 AB14C20 -13.57 1.15 -9.05 0.69 1
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380133 134965095 1 O2N3C13H20 A2B3C13D20 -67.64 6.11 0.0 0.0 0
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380134 134965097 1 BrO4C11H15 AB4C11D15 -153.61 5.25 -10.31 -0.34 0
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380135 134965099 1 BO2C11H15 AB2C11D15 -148.43 2.25 -8.89 0.68 0
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380136 134965119 2 NBr2H6C7 AB2C6D7 36.72 1.77 -9.82 -1.25 0
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380137 134965122 1 NOF3H8C12 ABC3D8E12 -127.26 0.34 -9.37 -0.79 0
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380138 134965123 1 OC18H18 AB18C18 -7.18 3.79 -9.1 -0.46 0
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380139 134965124 1 C13H18 A13B18 -2.45 0.44 -8.82 0.57 0
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380140 134965131 1 N2O3C13H14 A2B3C13D14 -67.23 3.29 -9.02 -0.79 0
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380141 134965134 1 BO2C10H13 AB2C10D13 -134.24 2.36 -9.07 0.49 0
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380142 134965135 1 NOF3C10H12 ABC3D10E12 -185.65 6.52 -9.21 -0.27 0
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380143 134965139 1 OSSiC16H18 ABCD16E18 2.32 2.16 -9.21 -0.36 0
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380144 134965144 1 O3C14H18 A3B14C18 -111.05 3.45 -8.8 0.24 0
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380145 134965147 1 BrNO2C11H12 ABC2D11E12 -5.12 3.53 -9.62 -0.61 0
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380146 134965164 1 ClSN2O2C13H15 ABC2D2E13F15 -31.93 1.97 -9.0 -0.66 0
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380147 134965165 1 ClNOC15H16 ABCD15E16 -9.27 2.58 -9.42 -0.26 0
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380148 134965170 1 CuNOH13C14 ABCD13E14 76.13 2.88 0.0 0.0 0
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380149 134965172 1 NOC16H17 ABC16D17 -1.07 3.92 -8.16 -0.69 0
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380151 134965176 2 O2H5C6 A2B5C6 -73.57 2.32 -10.45 -1.4 0
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380152 134965179 1 C19H30 A19B30 118.39 2.04 -5.74 -1.18 0
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380153 134965183 1 NO2C11H13 AB2C11D13 -55.97 1.92 -8.79 0.14 0
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380154 134965189 1 O2F3H7C10 A2B3C7D10 -218.36 6.45 -10.61 -1.19 0
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380155 134965194 1 NC13H17 AB13C17 25.55 3.95 -9.73 0.04 0
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380156 134970358 1 OSnC24H48 ABC24D48 -87.62 2.09 -9.4 0.97 0
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380157 134970359 1 O2C9H16 A2B9C16 -78.26 2.18 -10.17 1.08 0
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380158 134970360 1 NF2O3H11C13 AB2C3D11E13 -91.53 5.05 -10.56 -1.56 0
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380159 134970361 1 TiO4H30C31 AB4C30D31 -36.36 6.6 -8.52 -3.85 0
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380160 134970370 1 NPO7C25H26 ABC7D25E26 -292.28 3.58 -9.45 -0.14 0
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380161 134970371 1 SN3O3H15C17 AB3C3D15E17 -61.16 6.66 -8.81 -1.74 0
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380167 134970516 2 O2C17H25 A2B17C25 -215.18 4.13 -9.44 0.24 0
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380168 134970517 1 BrO7H23C27 AB7C23D27 -205.63 4.09 -10.07 -0.77 0
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380169 134970518 1 O13C68H76 A13B68C76 -476.25 3.7 -9.32 -0.76 0
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380170 134970519 1 NCl3O10H28C36 AB3C10D28E36 -292.75 5.75 -10.02 -0.78 0
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380171 134970520 1 NCl3O8C14H18 AB3C8D14E18 -352.42 3.75 -10.68 -0.63 0
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380172 134970521 1 BrO2F3N3C18H23 AB2C3D3E18F23 -250.67 3.89 -9.14 -1.23 0
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380173 134970522 1 Cl2O2N3C18H25 A2B2C3D18E25 -117.33 3.84 -8.92 -0.76 0
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380174 134970524 1 SiO4C22H36 AB4C22D36 -185.79 3.36 -8.82 0.46 0
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380175 134970525 1 SiO4C21H34 AB4C21D34 -216.27 0.76 -8.89 0.28 0
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380176 134970526 1 SeSiO2C23H38 ABC2D23E38 -155.18 4.55 -8.51 -0.21 0
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380177 134970527 1 SiO4C22H38 AB4C22D38 -235.52 4.41 -8.7 -0.14 0
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380178 134970531 1 O2C21H34 A2B21C34 -97.91 2.84 -8.58 0.37 0
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380179 134970532 1 O3C20H32 A3B20C32 -161.86 6.08 -9.1 -0.51 0
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380180 134970533 1 SiO2C9H18 AB2C9D18 -123.8 2.03 -10.08 0.95 0
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380181 134970534 1 O2C11H20 A2B11C20 -110.95 4.5 -10.84 0.55 0
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380182 134970535 2 OC9H9 AB9C9 -32.83 4.67 -9.53 -0.18 0
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380183 134970536 2 O2C10H11 A2B10C11 -106.42 5.06 -9.55 0.04 0
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380184 134970537 1 O3H16C17 A3B16C17 -67.46 5.86 -9.93 -0.29 0
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380185 134970539 1 NO3C9H15 AB3C9D15 -146.14 2.95 -9.01 0.32 0
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380186 134970540 3 OC7H12 AB7C12 -196.41 3.34 -9.8 0.69 0
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380187 134970541 1 O2C7H12 A2B7C12 -92.19 5.08 -10.85 0.55 0