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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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381213 134971877 1 O3H13C16 A3B13C16 -37.58 6.37 0.0 0.0 0
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381214 134971878 1 FeO3H20C22 AB3C20D22 141.36 19.02 -6.84 -2.29 0
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381215 134971879 1 O3H15C17 A3B15C17 -47.76 7.88 0.0 0.0 0
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381216 134971880 1 FeO4H20C22 AB4C20D22 -55.35 4.61 -8.7 -0.32 0
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381217 134971881 1 O4H15C17 A4B15C17 -80.12 6.78 0.0 0.0 0
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381218 134971882 1 FeO4C17H18 AB4C17D18 -47.61 4.91 -8.68 -0.72 0
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381219 134971883 1 FeSO3H16C19 ABC3D16E19 -17.1 5.66 -8.97 -1.24 0
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381220 134971884 1 SO3H11C14 AB3C11D14 -31.54 6.71 0.0 0.0 0
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381221 134971885 1 O2N3C21H23 A2B3C21D23 -5.59 2.69 -8.93 0.0 0
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381222 134971886 1 INO3C27H46 ABC3D27E46 -109.43 4.79 -9.81 -1.07 0
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381223 134971887 1 O2N5C8H9 A2B5C8D9 -23.39 9.95 -9.19 -0.65 1
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381224 134971889 1 O2C8H15 A2B8C15 -77.37 0.71 0.0 0.0 0
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381225 134971890 1 INO3H14C18 ABC3D14E18 -63.42 8.93 -9.18 -1.62 0
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381226 134971891 2 NOC11H11 ABC11D11 39.13 12.6 -7.19 -1.8 1
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381227 134971892 1 N2O3C28H31 A2B3C28D31 -26.12 1.68 0.0 0.0 0
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381228 134971895 1 NC16H17 AB16C17 22.9 1.79 -7.86 -0.07 0
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381229 134971896 1 NPO3C16H20 ABC3D16E20 -94.23 2.85 -8.75 -0.27 0
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381230 134971897 1 O6H38C45 A6B38C45 -96.98 3.87 -9.33 -0.54 0
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381231 134971898 1 O5H34C38 A5B34C38 -93.26 2.78 -9.36 -0.5 0
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381232 134971899 1 O5C35H36 A5B35C36 -134.63 1.52 -9.23 0.08 0
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381233 134971900 2 OC11H11 AB11C11 -28.09 2.08 -8.76 -0.12 0
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381234 134971901 1 ClPdC3H7 ABC3D7 2.4 5.29 -7.96 0.21 0
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381237 134971905 1 O5C23H32 A5B23C32 -227.97 5.52 -9.13 -0.24 0
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381238 134971906 1 NSO2C24H35 ABC2D24E35 -76.75 2.3 -8.52 0.3 0
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381239 134971907 1 NS2O5C18H31 AB2C5D18E31 -219.97 4.0 -8.5 -0.41 1
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381240 134971909 3 NOH4C5 ABC4D5 12.87 5.88 0.0 0.0 0
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381241 134971910 1 N3O3H11C15 A3B3C11D15 16.75 8.39 -9.19 -1.07 0
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381242 134971912 1 N3O5C29H31 A3B5C29D31 -124.4 1.37 -8.8 -0.75 0
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381243 134971915 1 PSiN4O7C19H31 ABC4D7E19F31 -400.7 7.62 -9.34 -0.24 0
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381244 134971918 2 O3C21H23 A3B21C23 -169.28 1.58 -9.38 -0.11 0
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381245 134971919 1 Cl2O2H28C31 A2B2C28D31 -16.81 2.16 -9.41 -0.26 0
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381246 134971920 1 NS2O5C12H21 AB2C5D12E21 -212.45 7.52 -8.82 -0.14 0
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381247 134971922 1 OC13H26 AB13C26 -86.35 2.28 -9.67 1.25 0
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381248 134971924 1 O2H28C31 A2B28C31 -6.78 0.37 -8.33 -0.52 0
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381249 134971925 1 O4H44C65 A4B44C65 63.57 1.72 -8.28 -1.44 0
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381250 134971926 1 BrSO3N4C18H23 ABC3D4E18F23 -110.08 1.92 -9.37 -1.44 0
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381251 134971931 1 N2O3C20H22 A2B3C20D22 -67.84 1.15 -8.54 -0.06 0
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381252 134971932 1 N3O5C19H19 A3B5C19D19 -71.01 7.28 -8.25 -1.22 0
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381253 134971934 1 N2O5C21H22 A2B5C21D22 -150.19 5.36 -8.24 -0.58 0
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381254 134971935 1 NSiO5C19H29 ABC5D19E29 -237.88 3.22 -9.09 0.03 0
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381255 134971936 1 N2O6C15H28 A2B6C15D28 -309.7 4.18 -9.75 0.47 0
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381256 134971937 1 N3O8C25H33 A3B8C25D33 -263.83 4.98 -9.59 -0.11 0
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381257 134971939 1 N2O7C15H26 A2B7C15D26 -345.47 3.75 -10.0 -0.02 0
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381258 134971940 1 NO9C33H49 AB9C33D49 -417.36 5.11 -9.61 -0.47 0
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381259 134971941 1 NO9C36H55 AB9C36D55 -426.58 3.93 -9.23 0.24 0
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381260 134971942 1 NO3C18H21 AB3C18D21 -30.55 0.83 -9.43 0.18 0
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381261 134971943 1 NO3C21H27 AB3C21D27 -35.12 0.72 -9.36 0.22 1
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381262 134971944 1 N3C12H20 A3B12C20 36.59 2.41 0.0 0.0 0
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381263 134971945 1 NO3C24H31 AB3C24D31 -80.72 2.54 -9.03 0.16 0
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381264 134971948 1 NO4C18H29 AB4C18D29 -214.7 3.23 -9.69 -0.06 1
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381265 134971949 1 BSiO4C13H30 ABC4D13E30 -263.64 3.06 0.0 0.0 0
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381266 134971950 1 BSiO4C13H29 ABC4D13E29 -306.88 1.67 -8.79 0.44 0
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381267 134971951 1 BCl2C8H11 AB2C8D11 -30.9 1.71 -9.37 -0.49 0
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381268 134971952 1 BCl2C8H11 AB2C8D11 -29.13 2.51 -9.52 -0.33 0
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381269 134971953 1 N2O3H24C25 A2B3C24D25 -38.53 2.14 -7.91 -0.17 0
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381270 134971954 1 BrN2O2C20H21 AB2C2D20E21 -31.66 4.42 -8.71 -0.31 0
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381271 134971955 1 BrN2O2C20H21 AB2C2D20E21 -30.99 4.5 -8.76 -0.42 0
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381272 134971956 1 N3O4C20H21 A3B4C20D21 -40.64 8.35 -9.16 -1.04 0
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381274 134971958 1 O2F3C14H21 A2B3C14D21 -275.58 3.68 -9.93 0.5 0
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381275 134971959 1 Br2O5C10H12 A2B5C10D12 -171.11 3.13 -9.98 -1.35 0
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381276 134971960 1 BrNO5C12H16 ABC5D12E16 -161.89 2.85 -9.55 -0.3 0
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381277 134971962 1 N5O5C32H45 A5B5C32D45 -215.99 8.04 -8.58 -0.1 0
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381278 134971963 1 RuC4O4H12 AB4C4D12 13.0 1.23 -6.89 -3.01 0
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381279 134971964 1 BrO2N4H7C9 AB2C4D7E9 45.48 4.26 -10.04 -1.2 0
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381280 134971965 1 Si3O4C31H50 A3B4C31D50 -312.67 2.52 -9.1 -0.01 -1
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381281 134971966 1 C9H17 A9B17 0.33 1.04 0.0 0.0 -1
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381282 134971967 1 C10H19 A10B19 -4.19 0.94 0.0 0.0 0
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381283 134971968 1 SO3C9H18 AB3C9D18 -148.36 3.34 -9.24 0.25 0
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381284 134971969 1 BrO2C19H23 AB2C19D23 -28.65 3.33 -8.88 -1.03 0
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381285 134971970 1 NO6C19H35 AB6C19D35 -324.89 4.93 -9.65 0.41 0
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381287 134971972 1 N4O7C25H40 A4B7C25D40 -343.7 3.83 -9.89 -0.45 0
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381288 134971973 2 OC5H6 AB5C6 -29.88 3.89 -10.68 -0.46 0
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381289 134971975 1 OC11H13 AB11C13 28.12 2.38 0.0 0.0 0
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381290 134971976 1 FeOC20H26 ABC20D26 201.41 13.37 -6.45 -3.19 0
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381291 134971977 1 OC15H21 AB15C21 19.92 2.34 0.0 0.0 0