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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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136012 51965504 1 OSN5C25H34 ABC5D25E34 24.29 4.04 0.0 0.0 0
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136013 51965804 1 ClSO2N3H20C21 ABC2D3E20F21 -14.08 5.32 -9.32 -0.96 0
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136014 51965805 1 ClSO2N3H20C21 ABC2D3E20F21 -16.73 4.34 -9.27 -0.92 0
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136015 51965806 1 SO2N3H21C24 AB2C3D21E24 18.76 6.51 -9.23 -1.14 1
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136016 51966671 1 OCl2N3C21H26 AB2C3D21E26 4.82 3.59 0.0 0.0 0
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136017 51966829 1 F2N2O5C20H20 A2B2C5D20E20 -265.82 2.3 -9.06 -1.1 0
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136018 51966847 1 SN2O4C23H26 AB2C4D23E26 -108.27 2.1 -8.66 -0.44 0
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136019 51966891 1 FSN3O4C17H24 ABC3D4E17F24 -206.49 4.64 -9.34 -1.03 0
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136020 51967131 1 FNO6H26C27 ABC6D26E27 -179.52 5.52 -8.65 -0.36 0
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136021 51967623 1 S2N3O4C24H33 A2B3C4D24E33 -120.81 7.86 -8.97 -1.03 1
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136022 51967624 1 S2N3O4C24H34 A2B3C4D24E34 -112.14 21.0 0.0 0.0 0
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136023 51967777 1 ClO2N3C16H18 AB2C3D16E18 -30.94 5.59 -9.08 -1.05 0
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136024 51968022 2 ON3C10H10 AB3C10D10 39.09 2.32 -9.29 -0.54 0
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136025 51968052 1 ON2S2C21H28 AB2C2D21E28 -21.1 2.6 -9.08 -0.3 0
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136026 51968142 1 SN3O3C22H29 AB3C3D22E29 -97.78 5.18 -9.09 -0.97 0
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136027 51968147 1 FSN2O5C18H25 ABC2D5E18F25 -255.61 4.44 -9.28 -1.02 0
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136028 51968354 1 FN2O3C18H25 AB2C3D18E25 -182.89 4.31 -9.32 -0.19 1
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136029 51968355 1 SN2O3C18H29 AB2C3D18E29 -101.12 6.27 0.0 0.0 0
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136030 51968755 1 ClFON3C17H21 ABCD3E17F21 -65.54 6.2 -9.6 -0.21 0
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136031 51968907 2 SN2O2C10H11 AB2C2D10E11 -118.18 9.85 -8.47 -1.01 0
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136032 51968908 2 SN2O2C10H11 AB2C2D10E11 -119.88 7.3 -8.9 -0.76 0
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136033 51969019 1 FN2O3C17H23 AB2C3D17E23 -196.67 7.64 -8.71 -0.07 0
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136034 51969093 1 ClN4C18H19 AB4C18D19 73.72 2.86 -8.79 -0.52 0
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136035 51969195 1 SN2O3C23H32 AB2C3D23E32 -86.68 1.09 -8.81 -0.21 1
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136036 51969196 1 SN2O3C23H33 AB2C3D23E33 -64.56 1.51 0.0 0.0 0
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136037 51969908 1 N2O4C17H22 A2B4C17D22 -155.56 2.88 -9.24 -0.39 0
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136038 51969909 1 N2O3C17H20 A2B3C17D20 -90.98 4.17 -9.22 -0.32 0
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136039 51969910 1 N2O3C17H20 A2B3C17D20 -91.8 1.41 -9.25 -0.35 0
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136040 51969911 1 N3O3S3C19H21 A3B3C3D19E21 -88.95 3.48 -8.49 -1.11 0
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136041 51970002 1 ClNO2C14H20 ABC2D14E20 -78.8 1.55 -8.89 -0.08 1
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136042 51970294 1 ClO2N4C23H30 AB2C4D23E30 -33.17 2.81 0.0 0.0 0
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136043 51970295 1 NO5C23H23 AB5C23D23 -151.37 5.7 -9.05 -0.71 0
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136044 51970296 1 NO5C23H23 AB5C23D23 -151.25 4.17 -8.96 -0.88 0
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136045 51970297 1 N3O5C19H23 A3B5C19D23 -170.37 6.52 -8.73 -0.22 0
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136046 51970736 1 ON3C16H25 AB3C16D25 -24.73 1.97 -8.74 0.0 1
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136047 51970737 1 ON3C15H24 AB3C15D24 3.71 4.47 0.0 0.0 0
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136048 51971109 1 SN3O4H19C25 AB3C4D19E25 -41.96 1.91 -9.1 -0.88 0
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136049 51971323 1 SN4O4C18H26 AB4C4D18E26 -146.83 5.26 -8.62 -0.39 -1
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136050 51971324 1 FN2O6H20C23 AB2C6D20E23 -177.05 9.14 0.0 0.0 0
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136051 51971330 1 ClN3O4C22H22 AB3C4D22E22 -129.91 2.78 -8.62 -0.91 0
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136052 51971793 1 ClN4O4H21C22 AB4C4D21E22 -92.05 2.79 -8.89 -0.59 -1
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136053 51972084 1 SN2O3C20H23 AB2C3D20E23 -65.55 4.95 0.0 0.0 1
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136054 51972085 1 O2N5C19H24 A2B5C19D24 -27.37 6.4 0.0 0.0 -1
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136055 51972086 1 N2O3C17H19 A2B3C17D19 -28.05 25.12 0.0 0.0 1
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136056 51972087 1 ClN3O3C13H19 AB3C3D13E19 -89.69 3.91 0.0 0.0 0
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136057 51972088 1 BrON4H13C17 ABC4D13E17 86.45 3.55 -9.15 -1.47 0
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136058 51972089 1 BrON4H13C17 ABC4D13E17 86.45 3.39 -9.16 -1.46 -1
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136059 51972090 1 N2O4H21C25 A2B4C21D25 -27.65 4.41 0.0 0.0 0
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136060 51973242 1 N4O4C23H24 A4B4C23D24 -49.38 13.47 -8.78 -0.65 -1
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136061 51973254 1 FSN2O3H16C17 ABC2D3E16F17 -78.04 5.38 0.0 0.0 0
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136062 51973555 1 OF3N3H12C18 AB3C3D12E18 -95.33 3.38 -8.88 -1.01 1
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136063 51973884 1 ClN3O4C21H25 AB3C4D21E25 -69.18 4.01 0.0 0.0 0
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136064 51974058 1 FN3O3H18C20 AB3C3D18E20 -84.32 7.43 -8.55 -0.58 0
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136065 51974059 1 FN3O3H18C20 AB3C3D18E20 -84.88 7.78 -8.57 -0.59 -1
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136066 51974136 1 N3O6H20C23 A3B6C20D23 -123.33 14.88 0.0 0.0 0
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136067 51974290 1 FN2O5H17C21 AB2C5D17E21 -183.53 6.66 -8.83 -1.14 1
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136068 51974291 1 N4C25H27 A4B25C27 68.51 3.01 0.0 0.0 0
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136069 51974292 1 N4C25H26 A4B25C26 69.79 2.96 -7.87 -0.16 1
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136070 51974293 1 N4C25H27 A4B25C27 67.6 2.77 0.0 0.0 0
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136071 51974294 1 N4C25H26 A4B25C26 71.0 2.44 -7.86 -0.15 -1
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136072 51974862 1 BrN2O3H18C20 AB2C3D18E20 5.65 27.21 0.0 0.0 -1
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136073 51974863 1 SN3O3H18C20 AB3C3D18E20 -23.95 3.2 0.0 0.0 -1
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136074 51974964 1 N2O4H17C21 A2B4C17D21 -45.64 17.96 0.0 0.0 0
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136075 51974965 1 N2O4H18C21 A2B4C18D21 -94.99 12.11 -8.74 -0.89 -1
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136076 51974966 1 N2O4H17C21 A2B4C17D21 -45.63 17.99 0.0 0.0 0
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136077 51975283 2 NOC14H17 ABC14D17 -13.55 4.16 -8.61 0.25 1
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136078 51975284 1 N2O4C29H35 A2B4C29D35 -65.06 2.57 0.0 0.0 0
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136079 51975319 1 NO2C23H31 AB2C23D31 -58.12 2.08 -8.81 0.2 1
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136080 51975320 1 NO3C19H32 AB3C19D32 -110.88 3.01 0.0 0.0 0
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136081 51975321 1 NO3C19H31 AB3C19D31 -136.52 2.56 -8.6 0.39 1
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136082 51975322 1 NO3C19H32 AB3C19D32 -111.24 4.0 0.0 0.0 0
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136083 51975323 1 NO3C19H31 AB3C19D31 -138.88 2.96 -8.71 0.25 1
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136084 51975324 1 NO3C18H32 AB3C18D32 -122.37 2.62 0.0 0.0 1
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136085 51975390 1 NO3C20H34 AB3C20D34 -118.96 2.17 0.0 0.0 0
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136086 51975889 1 ON2C20H24 AB2C20D24 9.29 5.19 -8.74 0.02 0
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136087 51976175 2 NC9H10 AB9C10 45.22 4.96 -8.73 -0.23 0
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136088 51976621 1 ClN2O3C19H21 AB2C3D19E21 -72.28 4.95 -8.39 -0.43 1
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136089 51976986 1 OF3N3C15H21 AB3C3D15E21 -175.2 7.52 0.0 0.0 1
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136090 51977376 1 ClON3C14H21 ABC3D14E21 1.95 3.42 0.0 0.0 0
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136091 51977377 1 ClON3C14H20 ABC3D14E20 -23.9 5.54 -9.0 -0.48 1
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136092 51977378 1 ClON3C14H21 ABC3D14E21 2.62 3.16 0.0 0.0 0
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136093 51977379 1 ClON3C14H20 ABC3D14E20 -22.81 2.15 -8.88 -0.59 0
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136094 51977924 1 ClO2N3C18H24 AB2C3D18E24 -59.43 2.26 -8.83 -0.47 0
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136095 51978130 1 ClON3C22H34 ABC3D22E34 -46.78 4.2 -8.7 -0.33 -1
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136096 51978184 1 N2O4C21H23 A2B4C21D23 -53.44 8.87 0.0 0.0 0
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136097 51978276 1 ON2F3C20H21 AB2C3D20E21 -154.11 6.38 -9.36 -0.66 0
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136098 51978512 1 ClON2C18H19 ABC2D18E19 4.14 3.2 -9.05 -0.57 0
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136099 51978812 1 ClON2C16H21 ABC2D16E21 -35.5 6.08 -8.84 -0.36 0
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136100 51978813 1 ClON2C16H21 ABC2D16E21 -35.57 5.01 -8.91 -0.37 0
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136101 51978814 1 ClON2C16H21 ABC2D16E21 -34.39 6.36 -8.8 -0.27 0
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136102 51978815 1 ClON2C16H21 ABC2D16E21 -34.84 6.77 -8.73 -0.17 0
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136103 51978816 1 ClON2C16H21 ABC2D16E21 -34.41 6.84 -8.76 -0.19 0
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136104 51978817 1 ClN2O2C13H15 AB2C2D13E15 -58.61 4.43 -9.0 -0.6 0
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136105 51979114 1 ClON3C16H16 ABC3D16E16 25.89 3.14 -9.04 -0.52 0
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136106 51979486 1 ClN3C14H18 AB3C14D18 18.86 3.66 -8.96 -0.44 -1
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136107 51979518 1 N2O3C20H21 A2B3C20D21 -18.52 7.75 0.0 0.0 0
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136108 51979537 1 ClON2C13H17 ABC2D13E17 -35.69 2.81 -9.04 -0.52 0
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136109 51979538 1 ClN2C20H23 AB2C20D23 29.2 5.85 -8.83 -0.37 1
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136110 51979981 1 ON3C11H16 AB3C11D16 32.13 9.81 0.0 0.0 1
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136111 51979982 1 NF2C10H14 AB2C10D14 -53.25 3.07 0.0 0.0 1