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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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52873 14709119 1 N2O4H14C19 A2B4C14D19 -63.49 4.78 -8.25 -1.91 0
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52874 14709120 1 N3O3H17C20 A3B3C17D20 -26.53 4.21 -8.27 -1.9 0
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52875 14709123 1 BrN2O3H11C18 AB2C3D11E18 -23.6 4.15 -9.14 -2.12 0
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52876 14709124 1 IN2O3H11C18 AB2C3D11E18 -9.35 4.14 -9.16 -2.12 -1
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52877 14709128 1 ClFeNSO4H17C18 ABCDE4F17G18 3.11 6.34 0.0 0.0 0
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52878 14709129 1 ClNSO4H12C13 ABCD4E12F13 -33.8 4.48 -8.9 -0.85 -1
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52879 14709130 1 ClFeNSO4H17C18 ABCDE4F17G18 -0.58 8.15 0.0 0.0 -1
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52880 14709132 1 BrFeNSO4H17C18 ABCDE4F17G18 -5.33 2.97 0.0 0.0 -1
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52881 14709136 1 BrFeNSO4H17C18 ABCDE4F17G18 -6.41 4.04 0.0 0.0 0
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52882 14709137 1 BrNSO4H12C13 ABCD4E12F13 -22.65 4.58 -8.88 -0.83 0
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52883 14709139 1 ClNSO4C14H14 ABCD4E14F14 -40.79 5.85 -8.92 -0.78 -1
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52884 14709140 1 ClFeNSO4C19H19 ABCDE4F19G19 -14.67 8.33 0.0 0.0 -1
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52885 14709142 1 ClFeNSO4C19H19 ABCDE4F19G19 -19.07 5.07 0.0 0.0 0
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52886 14709143 1 ClNSO4C14H14 ABCD4E14F14 -40.86 5.28 -8.91 -0.78 -2
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52887 14709144 1 ClFeNSO2H16C19 ABCDE2F16G19 44.7 5.82 -8.74 -0.46 -2
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52888 14709146 1 ClFeNSO2H16C19 ABCDE2F16G19 114.08 3.29 -7.34 -1.28 0
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52889 14709147 1 ClNSO2H12C14 ABCD2E12F14 1.07 4.4 -9.45 -0.82 -2
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52890 14709148 1 ClFeNSO2H16C19 ABCDE2F16G19 38.78 4.28 -8.34 -0.82 0
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52891 14709149 1 ClNSO2H12C14 ABCD2E12F14 2.83 8.68 -9.54 -0.92 -2
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52892 14709150 1 ClFeNSO2H18C20 ABCDE2F18G20 30.71 4.88 -8.27 -0.67 -2
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52893 14709152 1 ClFeNSO2H18C20 ABCDE2F18G20 26.13 6.01 -8.27 -0.7 0
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52894 14709153 1 ClNSO2H14C15 ABCD2E14F15 -7.56 5.07 -9.39 -0.8 -2
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52895 14709154 1 ClFeNSO2H18C20 ABCDE2F18G20 42.98 11.14 -7.23 -1.27 -2
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52896 14709158 1 FeNO2S3H25C30 ABC2D3E25F30 143.56 4.76 -8.55 -1.02 0
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52897 14709163 1 ON2H8C10 AB2C8D10 55.6 5.92 -10.26 -0.93 0
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52898 14709165 1 SN2O5C15H20 AB2C5D15E20 -188.42 6.5 -10.32 -0.86 0
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52899 14709166 1 N2O2H12C17 A2B2C12D17 31.52 3.99 -10.02 -0.76 0
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52900 14709174 1 NF2H3C8 AB2C3D8 25.03 4.73 -10.84 -1.29 0
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52901 14709175 1 OF2H14C20 AB2C14D20 -2.08 2.0 -9.69 -0.36 0
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52902 14709176 1 OF2H4C8 AB2C4D8 -32.59 5.38 -10.45 -1.26 0
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52903 14709177 2 FOH5C6 ABC5D6 -89.37 2.29 -10.11 -1.24 0
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52904 14709179 1 SiF2C10H12 AB2C10D12 -53.15 3.4 -9.85 -0.23 1
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52905 14709182 1 F2H15C20 A2B15C20 37.24 2.91 0.0 0.0 0
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52906 14709184 1 S2O6C21H28 A2B6C21D28 -245.75 2.16 -9.95 -0.47 0
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52907 14709185 2 Br2C3H5 A2B3C5 -26.1 0.6 -10.59 -1.28 0
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52908 14709186 2 C8H9 A8B9 32.09 0.07 -8.38 -0.15 0
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52909 14709188 2 BO2C14H14 AB2C14D14 -212.38 2.22 -9.5 -0.28 0
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52910 14709191 2 BFO2H13C14 ABC2D13E14 -334.67 2.03 -9.44 -0.16 0
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52911 14709192 2 BFO2H13C14 ABC2D13E14 -306.32 1.42 -9.48 -0.25 0
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52912 14709194 1 B2N2O4C35H38 A2B2C4D35E38 -134.76 6.52 -8.32 -0.26 0
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52913 14709196 1 B2N2O4C33H34 A2B2C4D33E34 -167.98 6.41 -8.73 -1.02 0
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52915 14709201 1 NB2O4C36H39 AB2C4D36E39 -165.71 2.83 -8.77 -0.24 0
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52917 14709204 2 BNO2C16H16 ABC2D16E16 -153.04 3.87 -8.74 -0.43 0
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52918 14709205 2 BNO2C16H16 ABC2D16E16 -168.92 2.41 -9.51 -0.52 0
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52921 14709211 2 BFO2H13C14 ABC2D13E14 -338.37 6.3 -9.6 -0.33 0
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52922 14709212 1 B2F2N2O4C35H36 A2B2C2D4E35F36 -236.81 2.08 -8.82 -0.58 0
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52923 14709213 2 BFO2H13C14 ABC2D13E14 31.32 11.43 -8.31 -1.88 0
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52924 14709217 1 O3C12H20 A3B12C20 -146.11 2.28 -9.41 0.58 0
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52925 14709218 1 O3C15H26 A3B15C26 -153.6 2.7 -9.28 1.2 0
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52926 14709219 3 OC5H8 AB5C8 -138.33 4.0 -9.29 0.56 0
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52927 14709221 1 O3C13H26 A3B13C26 -181.77 3.81 -10.17 1.57 0
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52928 14709223 1 O3C11H22 A3B11C22 -166.01 1.73 -9.92 0.54 0
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52929 14709227 1 NH21C27 AB21C27 135.9 2.09 -9.15 -0.49 0
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52930 14709228 1 NH19C22 AB19C22 97.78 2.36 -8.71 -0.16 0
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52931 14709229 1 NC17H17 AB17C17 65.74 2.52 -8.69 0.12 0
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52932 14709232 2 NSH9C10 ABC9D10 90.62 3.07 -8.72 -0.66 0
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52933 14709234 1 NSC17H17 ABC17D17 51.55 0.96 -8.77 -0.34 0
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52934 14709235 1 NSC18H19 ABC18D19 40.92 1.63 -8.8 -0.19 0
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52935 14709236 1 NSC12H17 ABC12D17 -0.28 2.04 -8.62 0.26 0
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52936 14709238 1 KN2O2S2C11H13 AB2C2D2E11F13 -86.21 12.13 -7.55 -0.46 0
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52937 14709239 1 N2O2S2C11H14 A2B2C2D11E14 -28.57 2.28 -8.89 -0.95 0
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52938 14709245 1 N2O2S2C13H18 A2B2C2D13E18 -38.12 2.3 -8.9 -1.0 0
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52939 14709248 1 OSN4C13H18 ABC4D13E18 29.88 4.75 -8.66 -0.25 0
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52940 14709249 1 OS2N5C12H15 AB2C5D12E15 60.85 4.98 -8.68 -0.9 0
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52941 14709250 1 OS2N5C17H17 AB2C5D17E17 91.2 4.41 -8.71 -1.05 0
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52942 14709252 1 SO2N4C11H12 AB2C4D11E12 15.09 4.6 -8.84 -0.81 0
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52943 14709253 1 SO2N4C12H14 AB2C4D12E14 2.84 3.62 -8.67 -0.75 0
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52944 14709258 1 OSN6H14C18 ABC6D14E18 130.49 7.15 -8.85 -1.54 0
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52945 14709262 1 OSN6H20C21 ABC6D20E21 114.06 8.83 -8.82 -1.51 0
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52946 14709264 1 NSF3H12C16 ABC3D12E16 -74.83 5.45 -9.75 -1.01 0
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52947 14709265 1 ClNSF3H9C15 ABCD3E9F15 -74.61 3.26 -9.93 -1.14 0
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52948 14709268 1 OSH14C18 ABC14D18 31.72 1.84 -8.67 -0.6 0
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52949 14709269 1 SH12C18 AB12C18 72.33 1.73 -8.14 -1.09 0
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52950 14709271 1 SO2H16C18 AB2C16D18 -39.65 3.68 -8.88 -0.44 0
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52951 14709278 1 ON2C11H14 AB2C11D14 -11.38 2.7 -8.48 0.3 0