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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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27898 824067 3 NC4H5 AB4C5 52.5 2.99 -8.66 -0.16 0
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27899 824072 1 ON3C21H25 AB3C21D25 -9.05 7.09 -8.99 -0.7 0
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27900 824079 1 ClOSN2H9C14 ABCD2E9F14 29.63 6.28 -9.03 -1.51 0
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27901 824082 1 N2O5H14C17 A2B5C14D17 -68.44 3.74 -9.32 -1.27 0
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27902 824083 1 N2O3C18H24 A2B3C18D24 -76.48 5.16 -8.57 0.01 0
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27903 824086 1 ClN2O2H11C12 AB2C2D11E12 -12.03 6.01 -9.64 -0.48 0
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27904 824093 1 O2N3H13C17 A2B3C13D17 27.02 5.07 -9.03 -1.05 0
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27905 824097 1 N2O3H10C11 A2B3C10D11 -14.0 5.76 -9.36 -1.04 0
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27906 824099 1 OS2N3C17H17 AB2C3D17E17 19.27 3.11 -8.75 -1.14 0
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27907 824100 1 O2N4H8C9 A2B4C8D9 48.15 9.88 -9.83 -1.54 0
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27908 824105 1 SCl2N2O2H8C10 AB2C2D2E8F10 -33.72 5.32 -8.88 -1.35 0
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27909 824113 1 ON2C17H20 AB2C17D20 -28.02 3.57 -9.28 -0.79 0
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27910 824114 1 NCl2O2H7C14 AB2C2D7E14 -31.21 4.17 -9.36 -1.6 0
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27911 824125 1 N2O4C17H20 A2B4C17D20 -34.21 2.84 -10.31 -1.64 0
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27912 824126 2 NOH9C11 ABC9D11 23.45 2.18 -8.62 -0.68 1
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27913 824127 1 BrNC15H15 ABC15D15 58.31 5.97 0.0 0.0 1
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27914 824132 1 BrNC16H17 ABC16D17 51.58 6.37 0.0 0.0 1
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27915 824134 1 NO2C16H18 AB2C16D18 -16.75 3.01 0.0 0.0 0
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27916 824144 1 N2O5C17H18 A2B5C17D18 -130.93 5.96 -8.56 -0.53 0
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27917 824145 2 NO2C8H8 AB2C8D8 -51.22 5.29 -8.55 -1.65 0
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27918 824148 1 SN3O3H9C13 AB3C3D9E13 -33.74 3.41 -8.96 -2.51 0
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27919 824154 1 ClN2O4C17H17 AB2C4D17E17 -75.2 7.55 -8.01 -0.67 0
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27920 824156 1 O2C13H16 A2B13C16 -83.26 4.58 -9.48 0.25 0
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27921 824160 1 NSO3C14H17 ABC3D14E17 -123.05 3.29 -9.26 -0.51 0
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27922 824161 1 F3O3N4H13C14 A3B3C4D13E14 -161.49 4.92 -9.72 -1.06 0
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27923 824166 1 ClO2N3C17H18 AB2C3D17E18 -5.54 4.06 -8.8 -1.0 0
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27924 824167 1 N2O2C11H14 A2B2C11D14 -56.77 0.34 -9.17 0.15 0
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27925 824168 1 O3N4H14C17 A3B4C14D17 55.23 9.57 -8.51 -1.42 0
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27926 824169 2 NOH10C11 ABC10D11 1.11 1.86 -9.49 -0.63 0
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27927 824176 1 BrN3O3H10C14 AB3C3D10E14 45.99 4.43 -9.32 -1.6 0
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27928 824182 1 SN2O3C15H18 AB2C3D15E18 -104.87 5.88 -9.09 -0.96 0
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27929 824184 1 N2O3C17H22 A2B3C17D22 -98.51 1.86 -8.47 0.08 0
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27930 824187 1 N3O3C14H17 A3B3C14D17 -13.16 6.12 -9.35 -1.4 0
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27931 824190 1 N3O3H15C16 A3B3C15D16 21.33 4.84 -9.4 -1.37 0
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27932 824191 1 N3O3C12H13 A3B3C12D13 -1.26 5.87 -9.45 -1.4 0
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27933 824192 1 N3O4H15C16 A3B4C15D16 -8.37 5.29 -8.89 -1.36 0
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27934 824193 1 O3N4C15H18 A3B4C15D18 -55.27 7.69 -8.49 -0.51 0
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27935 824197 1 O3N5C15H17 A3B5C15D17 34.61 10.21 -9.32 -1.25 0
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27936 824198 2 ON2C9H11 AB2C9D11 3.0 8.0 -8.49 -0.52 0
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27937 824204 1 BrON2H15C17 ABC2D15E17 39.54 11.28 -8.45 -1.7 0
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27938 824205 1 BrON2H15C17 ABC2D15E17 38.38 10.91 -8.43 -1.63 0
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27939 824211 1 BrNOH12C14 ABCD12E14 19.18 1.75 -8.88 -0.68 0
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27940 824213 1 BrNOH12C14 ABCD12E14 1.47 5.16 -8.84 -0.58 0
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27941 824215 1 NO2C20H21 AB2C20D21 -17.93 3.03 -9.32 0.0 0
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27942 824218 1 NO4H9C15 AB4C9D15 -5.89 2.42 -9.18 -2.05 0
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27943 824228 2 NOC8H10 ABC8D10 -31.83 1.27 -9.42 0.22 0
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27944 824235 1 N3O4H15C17 A3B4C15D17 16.8 1.31 -9.35 -0.99 0
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27945 824240 1 SN2O3C14H16 AB2C3D14E16 -103.63 4.52 -8.82 -0.78 0
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27946 824263 2 NOH7C9 ABC7D9 56.26 6.99 -8.82 -1.16 0
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27947 824268 1 ClSN3O3C14H18 ABC3D3E14F18 -93.42 6.28 -9.43 -0.88 0
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27948 824270 1 NO2Cl3H12C15 AB2C3D12E15 -55.14 1.78 -9.36 -1.0 0
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27949 824274 1 NO6H11C13 AB6C11D13 -137.14 5.17 -10.93 -1.73 0
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27950 824284 1 ClN3O4H8C14 AB3C4D8E14 19.21 1.4 -9.11 -2.14 0
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27951 824295 1 SO2N3C13H13 AB2C3D13E13 -30.6 3.0 -9.28 -1.04 0
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27952 824296 1 NO2H19C23 AB2C19D23 4.18 2.78 -8.38 -1.35 0
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27953 824314 1 ON2Cl3C13H17 AB2C3D13E17 -65.94 4.17 -9.65 -0.45 0
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27954 824323 1 ClNOC18H22 ABCD18E22 -35.92 1.65 -8.43 -0.44 0
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27955 824325 1 NS2O3H13C14 AB2C3D13E14 -56.3 1.67 -9.18 -1.33 0
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27956 824327 1 FNO2H18C20 ABC2D18E20 -53.8 2.51 -9.42 -1.34 0
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27957 824333 1 BrOSN3C13H16 ABCD3E13F16 30.82 5.46 -8.75 -1.08 0
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27958 824338 1 FN2O2H15C17 AB2C2D15E17 -84.64 1.19 -9.12 -0.43 0
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27959 824339 1 FN2O2H15C17 AB2C2D15E17 -84.74 1.31 -9.11 -0.43 0
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27960 824340 1 ON2H12C16 AB2C12D16 33.34 6.18 -9.41 -1.04 0
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27961 824341 1 FN2O2C19H19 AB2C2D19E19 -93.81 7.14 -8.84 -0.19 0
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27962 824342 1 FN2O2C19H19 AB2C2D19E19 -94.74 1.4 -9.02 -0.35 0
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27963 824361 1 N2O3H12C13 A2B3C12D13 -37.16 5.31 -8.64 -0.64 0
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27964 824372 1 NCl3H12C14 AB3C12D14 14.9 2.35 -9.14 -0.92 0
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27965 824373 1 NCl2C15H15 AB2C15D15 11.51 1.89 -9.03 -0.78 0
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27966 824374 1 NCl2C15H15 AB2C15D15 10.33 1.32 -8.98 -0.73 0
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27967 824468 1 OSCl2N2H12C15 ABC2D2E12F15 21.4 3.45 -9.04 -0.91 0
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27968 824470 1 ClSN2O2H13C15 ABC2D2E13F15 -13.2 1.16 -8.8 -0.67 0
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27969 824472 1 ClSN2O2C17H17 ABC2D2E17F17 -18.98 6.69 -8.74 -0.54 0
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27970 824478 1 ClOSN2H13C15 ABCD2E13F15 18.18 3.83 -8.76 -1.03 0
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27971 824480 1 ClNOSH16C19 ABCDE16F19 6.62 1.43 -8.64 -0.65 0
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27972 824488 1 SN2O2C16H16 AB2C2D16E16 -15.32 5.65 -8.51 -0.64 0