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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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394907 135024105 1 O6N11C23H31 A6B11C23D31 -193.09 2.08 -9.14 -0.59 0
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394908 135024107 1 N2O4C15H18 A2B4C15D18 -123.0 1.84 -9.56 -0.57 0
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394909 135024109 1 FNO8C14H20 ABC8D14E20 -428.81 4.54 -10.25 0.1 0
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394910 135024110 1 SF3O5C17H17 AB3C5D17E17 -351.65 4.51 -9.11 -0.81 0
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394911 135024119 1 ON3H11C17 AB3C11D17 88.0 3.02 -9.1 -1.34 0
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394913 135024128 1 NO3C17H17 AB3C17D17 -74.7 2.51 -8.58 -0.62 0
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394914 135024130 1 N2O4C17H20 A2B4C17D20 -73.97 3.16 -9.17 -1.22 -5
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394915 135024148 1 CoO3N4C45H49 AB3C4D45E49 -122.65 39.49 -8.53 -3.32 0
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394916 135024149 1 ON4C43H50 AB4C43D50 36.71 3.13 -7.71 0.19 0
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394917 135024152 1 N3C27H35 A3B27C35 30.56 2.6 -9.26 -0.35 0
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394918 135024156 1 NO3C17H19 AB3C17D19 -35.36 4.28 -9.0 -0.45 0
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394919 135024157 1 NO3C21H21 AB3C21D21 -30.99 2.69 -8.95 -0.41 0
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394920 135024161 1 NO4C22H25 AB4C22D25 -107.72 2.72 -9.53 0.15 0
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394921 135024166 1 OPH23C28 ABC23D28 87.11 13.64 -7.05 -0.81 0
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394922 135024175 1 O5C21H26 A5B21C26 -180.9 4.57 -8.61 0.08 0
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394923 135024176 1 O5C21H26 A5B21C26 -178.26 3.96 -8.68 -0.18 0
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394924 135024177 1 O7C25H34 A7B25C34 -262.11 2.01 -8.47 0.15 0
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394925 135024178 1 O7C18H28 A7B18C28 -287.63 4.83 -8.77 -0.2 0
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394926 135024179 2 O4C13H17 A4B13C17 -282.06 1.9 -8.59 -0.05 0
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394927 135024180 1 O9C25H30 A9B25C30 -331.17 10.36 -8.9 -0.29 0
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394928 135024181 1 O9C26H36 A9B26C36 -340.72 6.05 -8.59 -0.04 0
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394929 135024184 1 NSO4H23C27 ABC4D23E27 -67.82 5.82 -8.8 -0.87 0
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394930 135024185 1 NSO5H25C28 ABC5D25E28 -117.44 7.93 -8.72 -0.73 0
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394931 135024186 1 NSO5H27C33 ABC5D27E33 -75.29 4.98 -8.81 -0.75 0
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394932 135024187 1 SN2O4H22C27 AB2C4D22E27 -41.28 6.53 -8.84 -0.82 0
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394933 135024188 1 SO2N3H17C25 AB2C3D17E25 84.43 11.59 -8.88 -1.18 0
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394934 135024189 1 NSO8C32H33 ABC8D32E33 -247.53 5.03 -8.32 -0.74 0
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394935 135024190 1 NSO6H31C34 ABC6D31E34 -152.68 9.74 -8.42 -0.93 0
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394936 135024191 1 NSO4H21C25 ABC4D21E25 -67.35 6.13 -8.08 -0.67 0
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394937 135024192 1 NSO3H19C24 ABC3D19E24 -30.52 6.88 -8.23 -0.68 0
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394938 135024193 1 NSO2H21C29 ABC2D21E29 33.13 6.17 -8.37 -0.78 0
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394941 135024196 1 ON2C22H32 AB2C22D32 -5.6 1.81 -8.58 0.22 0
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394942 135024197 2 NOC12H18 ABC12D18 -51.06 4.27 -8.53 0.44 1
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394943 135024198 1 ON2H17C19 AB2C17D19 61.68 5.33 0.0 0.0 0
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394944 135024200 2 O2C5H6 A2B5C6 -132.78 4.51 -10.3 -1.22 0
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394945 135024201 1 SiO4C19H28 AB4C19D28 -205.31 5.68 -8.85 -0.82 0
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394946 135024213 1 NO3C19H25 AB3C19D25 -53.86 2.74 -9.44 0.25 1
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394947 135024218 5 C3H5 A3B5 -21.45 0.34 0.0 0.0 0
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394948 135024219 1 NO2C15H17 AB2C15D17 -43.99 2.78 -9.49 -0.5 0
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394949 135024221 1 SiO2C24H38 AB2C24D38 -123.19 3.84 -9.1 0.41 0
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394950 135024224 2 O2C8H13 A2B8C13 -192.66 5.16 -8.93 0.51 0
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394951 135024225 2 NOF6H9C12 ABC6D9E12 -702.66 8.0 -10.27 -1.38 0
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394952 135024235 1 BPC7O7H14 ABC7D7E14 -301.17 5.08 -7.55 0.41 0
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394953 135024238 1 SiN2O6C21H44 AB2C6D21E44 -405.81 4.43 -9.06 0.69 0
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394954 135024246 1 NO3C29H33 AB3C29D33 -31.15 3.15 -9.02 0.08 0
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394955 135024258 1 S2O3N4C23H32 A2B3C4D23E32 -64.57 2.01 -8.55 -0.74 0
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394956 135024260 1 OSN2C14H16 ABC2D14E16 -0.13 6.12 -8.79 -0.59 0
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394957 135024274 1 NOH15C22 ABC15D22 70.41 4.52 -9.22 -0.98 0
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394958 135024277 1 O7C15H16 A7B15C16 -272.73 5.2 -10.48 -0.95 0
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394959 135024278 3 OC6H6 AB6C6 -92.85 6.92 -9.53 -0.72 0