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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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5893 13967 1 O2N3C18H22 A2B3C18D22 -17.31 1.77 0.0 0.0 1
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5894 13968 1 N2O3C18H22 A2B3C18D22 -120.55 2.52 -9.54 -0.43 0
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5895 13969 1 N2O5C16H24 A2B5C16D24 -258.94 3.81 -10.72 -0.66 0
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5896 13970 1 O3C20H30 A3B20C30 -117.99 8.92 -8.52 -0.13 0
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5897 13971 1 N4O5H8C14 A4B5C8D14 58.42 0.27 -10.41 -2.53 0
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5898 13978 1 N2O3C20H26 A2B3C20D26 -130.96 0.98 -9.57 -0.48 0
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5899 13980 1 N2O3C21H28 A2B3C21D28 -136.97 2.16 -9.54 -0.48 0
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5900 13983 1 OSN3C22H27 ABC3D22E27 7.2 0.59 -7.77 -0.72 0
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5901 13984 2 O2C12H17 A2B12C17 -183.41 2.93 -10.29 0.85 0
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5903 13995 1 ClON3C21H22 ABC3D21E22 17.69 2.58 -9.04 -0.85 0
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5904 13999 1 ClO2N3C21H22 AB2C3D21E22 -18.0 3.33 -8.85 -0.95 0
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5905 14001 1 ON4C29H30 AB4C29D30 68.66 5.76 -8.85 -0.09 0
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5906 14002 1 FO6C28H39 AB6C28D39 -318.78 5.56 -9.91 -0.54 0
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5907 14003 1 P4N5C10O16H17 A4B5C10D16E17 -884.75 7.06 -9.32 -1.27 0
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5908 14009 1 ClFO2N4C26H32 ABC2D4E26F32 -75.33 4.29 -8.35 -0.92 0
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5909 14010 1 ClFN4O10C34H38 ABC4D10E34F38 -362.62 5.03 -8.69 -1.62 0
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5910 14019 1 ClPbC6H15 ABC6D15 -6.44 4.92 -9.3 -1.16 0
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5912 14026 2 BrNC8H19 ABC8D19 -53.76 28.5 -7.12 -1.13 0
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5913 14034 1 PCl3O4C9H18 AB3C4D9E18 -300.35 1.4 -10.78 0.17 0
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5914 14036 1 NPO2S2C4H14 ABC2D2E4F14 -197.42 5.67 -8.73 0.72 0
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5915 14039 1 OC2N2H6 AB2C2D6 -32.7 4.23 -10.18 0.88 0
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5916 14040 1 C9H20 A9B20 -48.59 0.02 -10.38 4.17 0
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5917 14044 1 NO2C5H9 AB2C5D9 -76.05 3.42 -10.05 0.26 0
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5918 14062 1 C9H20 A9B20 -53.13 0.06 -10.79 4.09 0
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5919 14063 1 NSiCl3C4H6 ABC3D4E6 -104.7 3.3 -11.07 -0.82 0
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5920 14065 1 ClO3C8H13 AB3C8D13 -165.36 3.46 -11.04 -0.34 0
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5921 14068 2 NC2 AB2 128.17 0.0 -12.29 -1.48 0
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5922 14069 1 C9H20 A9B20 -52.36 0.07 -10.8 4.09 0
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5923 14075 1 SC2H4O4 AB2C4D4 -159.93 5.07 -11.45 -0.99 0
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5924 14079 1 NOC6H7 ABC6D7 -16.89 4.98 -9.38 -0.16 0
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5925 14082 1 BrFH4C6 ABC4D6 -21.81 1.58 -9.93 -0.53 0
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5926 14085 1 ClH7C8 AB7C8 27.59 1.94 -9.23 -0.38 0
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5927 14099 1 N3O3C5H7 A3B3C5D7 -87.81 4.1 -10.62 -0.73 0
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5928 14100 1 N2C9H10 A2B9C10 49.76 2.97 -8.63 0.23 0
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5929 14102 1 Cl2N2O2C7H8 A2B2C2D7E8 -93.89 3.34 -8.71 -0.54 0
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5930 14104 1 OC11H16 AB11C16 -44.84 1.69 -8.51 0.54 0
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5931 14136 1 ClN2O2C13H13 AB2C2D13E13 -63.31 6.44 -9.6 -0.62 0
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5932 14144 2 OC8H9 AB8C9 -64.97 4.48 -9.1 -0.73 0
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5933 14145 1 FCl2N2O2S2C9H11 AB2C2D2E2F9G11 -97.24 5.46 -9.51 -1.52 0
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5934 14146 1 Cl2N3H5C13 A2B3C5D13 116.52 1.19 -10.37 -2.12 0
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5935 14150 1 ON2C15H18 AB2C15D18 33.95 2.51 -9.09 -0.38 0
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5936 14151 1 ON2C15H16 AB2C15D16 16.52 2.72 -9.34 -0.04 0
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5937 14154 1 N2O2C15H18 A2B2C15D18 -1.89 2.46 -8.97 -0.37 0
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5938 14156 1 ClN2O2C15H17 AB2C2D15E17 -90.08 4.61 -9.7 -0.66 0
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5939 14157 1 N2O2C15H16 A2B2C15D16 -43.78 3.23 -9.09 -0.1 0
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5940 14158 1 NaSO2H13C17 ABC2D13E17 -79.45 9.69 -8.57 -0.9 0
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5941 14159 1 SO2H14C17 AB2C14D17 -22.51 5.2 -9.17 -0.95 0
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5942 14160 2 OH5C9 AB5C9 4.72 1.43 -9.4 -1.57 0
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5943 14161 1 ClNO2H10C16 ABC2D10E16 -1.84 3.26 -8.73 -1.87 0
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5944 14165 1 N4O5C11H14 A4B5C11D14 -49.18 7.52 -9.6 -1.58 0
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5945 14166 1 KNO2H14C18 ABC2D14E18 -59.42 9.67 -8.2 0.11 0
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5946 14167 1 NO2H15C18 AB2C15D18 -19.06 5.87 -9.14 -0.79 0
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5947 14168 1 Cl2N3C18H23 A2B3C18D23 -11.96 8.31 -8.41 -1.07 0
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5948 14169 3 NC6H7 AB6C7 63.71 7.42 -7.86 -0.63 0
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5949 14170 1 O2C19H28 A2B19C28 -123.78 4.23 -9.67 0.01 0
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5950 14171 1 N2C19H22 A2B19C22 50.91 3.02 -8.76 -0.65 0
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5951 14172 1 Cl2N2O2C17H24 A2B2C2D17E24 -121.07 4.5 -8.74 -0.3 0
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5952 14173 1 N2O2C17H22 A2B2C17D22 -45.9 4.07 -8.01 0.18 0
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5953 14175 1 BrNO4C17H26 ABC4D17E26 -166.37 9.46 -8.12 -0.18 0
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5954 14177 1 FNOC19H26 ABCD19E26 -89.12 3.45 -8.81 -0.39 0
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5955 14178 1 NOC20H29 ABC20D29 40.25 5.51 -7.25 0.04 0
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5956 14180 1 PN2O8C11H15 AB2C8D11E15 -384.17 2.59 -9.21 -0.5 0
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5957 14185 1 FINOC20H29 ABCDE20F29 -93.97 12.28 -7.46 -0.36 0
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5958 14186 1 FNOC20H29 ABCD20E29 -66.47 16.15 0.0 0.0 1
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5959 14187 1 O2H16C21 A2B16C21 -12.9 2.17 -8.44 -0.62 0
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5960 14188 2 NO2H8C9 AB2C8D9 -107.52 4.55 -9.87 -0.63 0
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5961 14189 1 BrFOH16C21 ABCD16E21 -1.33 2.28 -8.86 -0.58 0
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5962 14191 1 INO3C21H30 ABC3D21E30 -71.0 11.63 -7.15 -0.43 0
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5963 14192 1 NO3C21H30 AB3C21D30 -57.52 3.29 0.0 0.0 1
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5964 14193 1 NaSO5C19H27 ABC5D19E27 -278.02 9.95 -9.03 0.21 0
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5965 14194 1 ClON3C20H22 ABC3D20E22 17.13 3.89 -8.91 -0.81 0
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5966 14195 2 ClNH11C12 ABC11D12 91.42 10.34 -8.33 -1.55 0
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5967 14196 2 NH11C12 AB11C12 119.86 0.22 -6.42 0.12 2
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5968 14197 1 O4C23H32 A4B23C32 -198.48 5.2 -10.11 -0.55 0
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5969 14198 1 N4O6C17H20 A4B6C17D20 -121.03 2.82 -9.02 -1.59 0
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5971 14202 2 O3C13H18 A3B13C18 -269.01 6.36 -9.85 -0.42 0
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5972 14204 1 ClFN4O10C32H36 ABC4D10E32F36 -394.33 7.11 -8.73 -1.8 0
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5973 14205 1 ClFO2N4C24H28 ABC2D4E24F28 -71.27 1.02 -8.8 -0.86 0
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5974 14206 1 CN2O3H8 AB2C3D8 -162.49 8.35 -10.0 1.57 0
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5975 14207 1 PSC2O3H7 ABC2D3E7 -197.56 1.36 -10.13 -0.08 0
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5976 14208 1 OSn2C12H34 AB2C12D34 -63.59 1.43 -9.44 1.17 0
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5977 14209 1 PS2C4O4H9 AB2C4D4E9 -247.69 2.17 -9.68 -1.32 0
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5978 14211 1 N4C7H14 A4B7C14 29.89 4.47 -9.81 0.41 0
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5979 14212 2 SO2C4H8 AB2C4D8 -166.14 0.58 -10.84 -0.9 0
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5980 14213 2 CNO2H4 ABC2D4 -191.79 0.12 -8.85 1.12 0
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5981 14214 1 NO2C5H9 AB2C5D9 -102.18 3.3 -10.42 0.15 0
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5982 14216 1 NOC9H19 ABC9D19 -83.04 3.94 -9.67 1.31 0
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5983 14217 1 OSC4H6 ABC4D6 14.16 4.46 -8.41 0.3 0
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5984 14218 2 O2C5H10 A2B5C10 -213.64 2.2 -10.48 0.72 0
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5985 14219 1 ClC4N5H12 AB4C5D12 -6.36 6.61 -9.83 -0.13 0
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5986 14221 1 NOC9H19 ABC9D19 -76.48 4.07 -9.27 1.25 0
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5987 14223 1 N2O3C4H10 A2B3C4D10 -87.08 1.98 -9.82 -0.06 0
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5988 14229 1 BrO2C5H7 AB2C5D7 -75.72 2.15 -10.85 -1.07 0
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5989 14231 2 OC4H9 AB4C9 -129.21 2.77 -10.26 2.19 0
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5990 14232 1 NOC2H7 ABC2D7 -18.36 0.77 -9.62 1.66 0
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5991 14235 2 OC6H10 AB6C10 -99.56 1.78 -9.51 0.36 0
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5992 14237 1 O2C7H14 A2B7C14 -121.26 4.91 -10.98 0.68 0
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5993 14245 1 C7H12 A7B12 20.55 0.22 -9.96 2.02 0
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5994 14246 1 ClN2C5H15 AB2C5D15 -44.73 3.42 -9.35 1.65 0
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5995 14247 1 N2C5H14 A2B5C14 -6.76 0.71 -8.55 2.56 0