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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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397929 135031028 1 O3C16H18 A3B16C18 -75.19 2.45 -8.85 -1.03 0
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397930 135031030 1 NSO5H17C19 ABC5D17E19 -75.52 5.0 -8.54 -1.31 0
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397931 135031041 1 N2O3H14C18 A2B3C14D18 -34.61 5.32 -9.21 -0.71 0
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397932 135031049 1 ClO2N5C10H12 AB2C5D10E12 -21.45 3.93 -9.46 -0.89 0
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397933 135031055 1 N2O6H8C15 A2B6C8D15 -21.44 6.28 -10.27 -1.94 0
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397934 135031056 1 ClNO4H8C15 ABC4D8E15 -25.77 4.45 -9.58 -1.68 0
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397935 135031063 1 OPH17C22 ABC17D22 60.93 5.76 -8.49 -1.13 0
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397936 135031065 1 NO2C15H21 AB2C15D21 -61.48 1.95 -9.34 0.21 0
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397937 135031068 1 NSiO4C22H41 ABC4D22E41 -243.7 3.12 -8.89 -0.15 0
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397938 135031072 1 NF2C13H13 AB2C13D13 -60.16 4.22 -9.58 -0.78 0
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397939 135031079 2 OH6C9 AB6C9 -10.16 1.53 -8.24 -1.01 0
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397940 135031094 1 NO2H13C18 AB2C13D18 -14.2 3.85 -9.11 -0.83 0
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397941 135031097 1 SSiF3O4C10H13 ABC3D4E10F13 -324.2 3.94 -9.2 -1.25 0
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397942 135031113 1 Br2O3C8H8 A2B3C8D8 -82.34 2.17 -8.86 -0.69 0
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397943 135031115 1 NSiO4C11H23 ABC4D11E23 -234.66 3.51 -9.79 0.26 0
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397944 135031116 1 O6C13H18 A6B13C18 -240.11 3.94 -9.97 0.16 0
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397945 135031117 3 ClO2C4H5 AB2C4D5 -284.75 3.05 -10.67 -0.48 0
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397946 135031118 2 O3C10H16 A3B10C16 -295.93 3.57 -9.79 0.28 0
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397947 135031119 1 NSiO2C19H41 ABC2D19E41 -211.97 4.41 -8.69 1.43 0
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397948 135031120 1 NOSiC19H39 ABCD19E39 -152.35 2.54 -8.37 1.49 0
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397949 135031121 1 BrNH14C17 ABC14D17 60.13 1.05 -9.13 -0.97 0
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397950 135031123 1 OH24C25 AB24C25 24.36 0.46 -8.35 -0.48 0
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397951 135031124 1 NPSiO4C36H46 ABCD4E36F46 -188.87 11.21 -8.43 -0.74 0
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397952 135031125 1 SO2N3H19C23 AB2C3D19E23 71.37 6.64 -8.62 -0.92 0
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397953 135031127 2 OC9H10 AB9C10 -53.3 2.96 -9.45 -0.02 0
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397954 135031128 1 ClNO3C18H18 ABC3D18E18 -92.08 3.36 -9.05 -0.44 0
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397955 135031129 1 FSN2O3C17H17 ABC2D3E17F17 -109.66 7.28 -9.81 -0.6 0
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397956 135031130 1 BrSO4H15C16 ABC4D15E16 -119.05 7.68 -9.5 -0.81 0
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397957 135031131 1 PO5C15H23 AB5C15D23 -280.24 2.9 -9.16 0.17 0
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397958 135031132 1 FN2O3H13C18 AB2C3D13E18 -85.14 6.36 -9.05 -0.86 0
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397959 135031133 1 ClN2O3H13C18 AB2C3D13E18 -45.92 5.53 -8.84 -0.88 0
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397960 135031136 2 NO3C28H29 AB3C28D29 111.73 30.1 -6.04 -2.11 0
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397962 135031140 1 SN2O5C54H56 AB2C5D54E56 57.48 1.51 -8.52 -0.87 0
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397963 135031142 1 ClOC17H17 ABC17D17 -12.27 2.96 -9.38 -0.67 0
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397964 135031145 1 ClNO3H18C19 ABC3D18E19 -78.47 3.98 -9.74 -0.54 0
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397965 135031165 1 NO2C18H19 AB2C18D19 -25.67 4.07 -8.16 0.07 0
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397966 135031166 1 ClNOH18C21 ABCD18E21 13.0 0.68 -8.51 -0.47 0
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397967 135031167 1 ClNOH18C21 ABCD18E21 12.29 3.15 -8.54 -0.5 0
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397968 135031187 1 O15H58C62 A15B58C62 -441.32 4.44 -9.2 -0.71 0
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397969 135031190 1 O13H54C55 A13B54C55 -389.36 4.26 -9.25 -0.77 0
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397970 135031192 1 O12C57H62 A12B57C62 -359.1 3.85 -9.15 -0.02 0
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397971 135031194 1 ClN2O4C14H15 AB2C4D14E15 -66.43 5.25 -9.72 -1.04 0
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397972 135031195 1 BrN2O4C14H15 AB2C4D14E15 -54.44 5.21 -9.78 -1.04 0
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397973 135031210 1 ON2F3H17C24 AB2C3D17E24 -98.69 4.53 -9.49 -1.59 0
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397974 135031216 1 BrO3H15C17 AB3C15D17 -77.14 2.69 -9.72 -0.88 0
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397975 135031229 2 FNOC10H13 ABCD10E13 -201.2 3.46 -8.95 -0.54 0
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397976 135031235 1 N2O3C24H34 A2B3C24D34 -149.12 4.46 -8.88 -0.16 0
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397977 135031249 1 FN2O2H11C13 AB2C2D11E13 -72.99 2.22 -9.98 -1.22 0
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397978 135031251 1 NH25C33 AB25C33 173.11 2.07 -8.18 -0.08 0
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397979 135031256 1 NSO2F3H24C25 ABC2D3E24F25 -182.24 7.93 -9.48 -0.66 1
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397980 135031258 1 N4C20H21 A4B20C21 94.15 3.24 0.0 0.0 0
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397981 135031259 1 NOC20H21 ABC20D21 14.28 2.19 -8.58 -0.56 0
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397982 135031264 1 SiO3C15H26 AB3C15D26 -165.44 1.85 -8.65 -0.15 0
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397984 135031269 1 O11C38H44 A11B38C44 -390.42 1.61 -9.25 0.0 0
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397985 135031271 1 O2Si2N3C32H51 A2B2C3D32E51 -126.82 4.03 -7.91 0.31 0
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397987 135031282 1 OH30C35 AB30C35 120.52 3.16 -8.88 -0.58 0
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397988 135031284 4 OH6C8 AB6C8 -19.02 3.2 -9.71 -0.7 0
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397989 135031285 2 O2H9C12 A2B9C12 -44.74 8.66 -9.56 -0.8 0
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397990 135031287 2 O2H9C12 A2B9C12 -61.6 2.68 -9.92 -1.05 0
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397991 135031289 1 NO3C18H31 AB3C18D31 -185.93 1.15 -9.98 -0.64 0
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397992 135031292 1 ClN2O3H13C18 AB2C3D13E18 -45.86 3.76 -9.13 -0.89 0
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397993 135031294 1 NCl3O3C15H18 AB3C3D15E18 -150.14 1.31 -9.68 -0.54 0
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397994 135031295 1 O3C16H18 A3B16C18 -110.87 3.21 -9.42 0.03 0
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397995 135031296 2 O2H8C11 A2B8C11 -83.19 7.45 -9.05 -1.43 0
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397996 135031297 1 O3C16H16 A3B16C16 -81.09 2.87 -9.44 -0.12 0
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397997 135031298 1 NO3C17H23 AB3C17D23 -118.68 2.08 -9.85 -0.24 -4
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397999 135031300 1 NO4C16H17 AB4C16D17 -124.64 5.38 -9.16 -0.91 0
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398001 135031302 1 NSO4C24H27 ABC4D24E27 -113.43 6.76 -8.62 -0.74 0
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398002 135031314 1 O2C19H26 A2B19C26 -94.07 6.13 -9.48 0.12 0
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398003 135031317 1 N4O5H24C30 A4B5C24D30 -61.32 1.31 -9.89 -1.38 0
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398004 135031322 2 O5H19C22 A5B19C22 -224.6 4.37 -8.94 -0.78 0
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398005 135031323 1 O15H62C77 A15B62C77 -293.47 4.57 -8.79 -0.9 0
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398006 135031330 1 NO3C20H21 AB3C20D21 -44.4 3.23 -9.01 -0.58 0
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398007 135031335 1 NC15H17 AB15C17 54.04 2.79 -8.53 0.12 0
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398008 135031343 1 NSO10C25H25 ABC10D25E25 -350.01 2.3 -9.12 -1.05 0