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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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375193 131472821 1 SN3C11H15 AB3C11D15 46.34 3.08 -9.11 -0.7 0
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375194 131472824 1 SN3C11H15 AB3C11D15 42.44 2.92 -9.1 -0.78 0
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375195 131472827 1 BrSO3H7C10 ABC3D7E10 -91.85 4.07 -9.13 -1.37 0
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375196 131472829 1 BrSO3H7C10 ABC3D7E10 -92.18 6.09 -9.34 -1.07 0
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375197 131472831 1 NOSC12H15 ABCD12E15 -11.25 3.81 -8.53 -0.73 0
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375198 131472833 1 NO2C13H19 AB2C13D19 -88.81 1.87 -8.74 0.08 0
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375199 131472835 1 NOC14H21 ABC14D21 -53.35 0.83 -8.73 0.22 0
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375200 131472836 1 NOC14H21 ABC14D21 -52.64 0.84 -8.71 0.2 0
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375201 131472839 1 BrSO2H9C11 ABC2D9E11 -49.97 2.78 -8.97 -0.86 0
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375202 131472841 1 BrN2O2C11H13 AB2C2D11E13 -38.72 5.15 -8.64 -0.32 0
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375203 131472842 1 BrN2O2C11H13 AB2C2D11E13 -38.54 0.72 -8.92 -0.39 0
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375204 131472844 1 INO2C12H16 ABC2D12E16 -56.04 1.22 -8.37 -0.73 0
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375205 131472846 1 BrNOC13H18 ABCD13E18 -50.19 4.68 -8.76 -0.08 0
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375206 131472853 1 BrON2C12H15 ABC2D12E15 -45.82 2.47 -8.88 -0.24 0
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375207 131472856 1 NF3O3H6C8 AB3C3D6E8 -257.22 2.01 -10.18 -1.17 0
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375208 131472860 1 NF3O3H6C8 AB3C3D6E8 -259.71 1.97 -9.76 -1.16 0
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375209 131472867 1 FNO5H8C9 ABC5D8E9 -161.62 6.42 -10.76 -2.1 0
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375210 131472873 1 BrFNO3H7C9 ABCD3E7F9 -66.52 3.72 -10.56 -1.89 0
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375211 131472878 1 BrFNO3H7C9 ABCD3E7F9 -71.13 3.75 -10.77 -1.67 0
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375212 131472879 1 ClFNO3H7C9 ABCD3E7F9 -77.84 6.25 -10.6 -1.6 0
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375213 131472884 1 FNO4H8C10 ABC4D8E10 -103.42 2.71 -10.62 -1.78 0
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375214 131472885 1 FNO4H8C10 ABC4D8E10 -105.24 1.41 -10.73 -1.93 0
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375215 131472891 1 FNO4H8C10 ABC4D8E10 -104.84 0.25 -10.75 -2.02 0
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375216 131480913 1 FN2O2C10H11 AB2C2D10E11 -100.08 4.28 -8.63 -0.56 0
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375217 131480922 1 N2O2F3H7C8 A2B2C3D7E8 -130.49 5.5 -10.51 -1.72 0
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375218 131480927 1 NO3C11H15 AB3C11D15 -130.82 2.34 -8.98 0.34 0
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375219 131480928 1 NOC14H21 ABC14D21 -39.86 2.92 -8.96 0.37 0
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375220 131480934 1 BrFNO2C10H11 ABCD2E10F11 -114.22 4.7 -9.93 -0.74 0
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375221 131480946 1 NOC14H21 ABC14D21 -39.24 2.79 -8.46 0.07 0
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375222 131480948 1 ON3C12H21 AB3C12D21 -22.25 2.74 -8.64 -0.32 0
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375223 131480950 1 BrON2H9C10 ABC2D9E10 26.9 9.24 -9.63 -2.15 0
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375224 131480954 1 ClN2C13H17 AB2C13D17 24.22 2.09 -10.0 -0.52 0
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375225 131480958 1 NF3C8H14 AB3C8D14 -192.55 4.76 -9.53 1.78 -1
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375226 131480960 1 O3N5C8H8 A3B5C8D8 36.27 6.82 0.0 0.0 0
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375227 131480964 1 SO2N5C8H9 AB2C5D8E9 55.11 7.01 -9.29 -1.12 0
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375228 131480965 2 NOSH4C5 ABCD4E5 47.18 4.56 -8.71 -1.68 0
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375229 131480970 1 NCl2C12H13 AB2C12D13 2.76 1.06 -9.46 -0.32 0
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375230 131480972 1 BrNOC12H14 ABCD12E14 -4.11 2.36 -8.67 -0.16 0
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375231 131480973 1 FN2C8H11 AB2C8D11 -12.1 3.72 -9.33 -0.56 0
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375232 131480992 1 NF4H9C10 AB4C9D10 -190.67 2.39 -9.49 -0.2 0
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375233 131480995 1 N2O3C10H12 A2B3C10D12 -32.66 7.88 -9.59 -1.42 0
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375234 131480996 1 NSO3C10H13 ABC3D10E13 -107.85 4.16 -10.06 -0.77 0
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375235 131481006 1 BrSN2O3H7C9 ABC2D3E7F9 -36.4 2.73 -8.99 -1.43 0
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375236 131481007 1 BrSO4H7C10 ABC4D7E10 -101.24 5.2 -10.13 -1.81 0
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375237 131481008 1 ON4C10H10 AB4C10D10 66.54 8.41 -9.08 -0.82 0
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375238 131481009 1 N3C11H11 A3B11C11 56.48 5.4 -8.12 -0.27 0
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375239 131481016 1 ON4C11H16 AB4C11D16 -22.43 1.59 -9.45 -0.52 0
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375240 131481017 1 ON4C11H16 AB4C11D16 -15.63 4.13 -9.38 -0.58 0
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375241 131481025 1 N3O3C7H11 A3B3C7D11 -115.03 5.8 -10.03 -1.04 0
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375242 131481026 1 SN2C9H16 AB2C9D16 8.91 2.06 -8.77 0.63 0