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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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176145 76000906 1 SO2N4C23H26 AB2C4D23E26 9.35 5.97 -9.32 -0.89 0
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176146 76001150 1 N3C14H23 A3B14C23 27.18 4.71 -8.57 0.23 0
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176147 76001604 1 FNOC12H14 ABCD12E14 -88.34 3.86 -9.74 -0.24 0
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176148 76001788 1 N2O2H12C13 A2B2C12D13 -13.61 5.66 -9.85 -0.99 0
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176149 76001949 1 NO5C13H13 AB5C13D13 -195.09 4.91 -10.36 -1.62 0
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176150 76001950 1 FN2O2H13C14 AB2C2D13E14 -69.02 3.24 -9.89 -1.33 0
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176151 76002188 1 NO3H13C14 AB3C13D14 -78.61 6.37 -9.66 -1.7 0
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176152 76002189 1 NO3H13C14 AB3C13D14 -72.26 6.44 -9.99 -1.46 0
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176153 76002190 1 NO3H13C14 AB3C13D14 -72.55 5.96 -9.72 -1.6 0
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176154 76002191 1 NO4H11C13 AB4C11D13 -104.78 6.12 -10.11 -1.88 0
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176155 76002192 1 NO4H11C13 AB4C11D13 -96.79 7.87 -10.08 -1.62 0
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176156 76002193 1 NO4H11C13 AB4C11D13 -100.69 6.99 -10.19 -1.61 0
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176157 76002194 1 NO4H11C13 AB4C11D13 -105.85 4.56 -10.07 -1.85 0
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176158 76002196 1 NO4H11C13 AB4C11D13 -99.71 5.86 -10.07 -1.72 0
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176159 76002197 1 NO4H11C13 AB4C11D13 -105.76 5.78 -9.99 -1.84 0
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176160 76002423 1 NCl2O3H7C12 AB2C3D7E12 -66.51 4.46 -10.21 -1.84 0
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176161 76002424 1 NCl2O3H7C12 AB2C3D7E12 -70.02 2.56 -10.0 -1.76 0
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176162 76002669 1 Cl2N2O5C24H28 A2B2C5D24E28 -215.15 2.5 -9.16 -0.68 0
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176163 76002698 1 Cl2N2O5C30H34 A2B2C5D30E34 -202.93 1.89 -9.13 -0.51 0
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176164 76002857 1 NSO3H23C25 ABC3D23E25 -59.13 0.5 -8.77 -0.62 0
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176165 76002858 1 NS2O3H25C26 AB2C3D25E26 -61.13 1.91 -8.33 -0.66 0
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176166 76003022 1 N2O4C29H34 A2B4C29D34 -114.91 1.56 -8.5 -0.47 0
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176167 76003023 1 N2O5C21H24 A2B5C21D24 -141.77 1.59 -9.04 0.12 0
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176168 76003024 1 N2O5C25H34 A2B5C25D34 -210.6 4.78 -9.07 0.1 0
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176169 76003025 2 NO3C11H15 AB3C11D15 -238.85 3.07 -9.14 0.02 0
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176170 76003026 1 N2O5C23H32 A2B5C23D32 -212.27 3.83 -9.14 0.02 0
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176171 76003100 1 N2O6C31H42 A2B6C31D42 -246.2 4.47 -8.28 0.16 0
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176172 76003319 1 NO4H25C27 AB4C25D27 -98.75 5.91 -8.96 -0.52 0
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176173 76003947 1 N5H21C24 A5B21C24 155.6 1.72 -8.04 -0.92 0
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176174 76004390 1 N2O6C37H52 A2B6C37D52 -272.65 4.4 -8.81 -0.6 0
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176175 76004646 1 SO2N4H8C12 AB2C4D8E12 99.87 7.89 -9.48 -1.88 0
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176176 76005038 1 N2O3F7C30H41 A2B3C7D30E41 -456.91 5.01 -8.92 -0.17 0
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176177 76005380 2 NSiO3C12H23 ABC3D12E23 -415.66 3.76 -8.78 -0.09 0
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176178 76005381 1 ISiN2O5C17H29 ABC2D5E17F29 -278.09 4.15 -8.88 -1.9 0
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176179 76005657 1 FN3O5C23H24 AB3C5D23E24 -179.83 8.31 -9.12 -1.2 0
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176180 76005734 1 O5C27H38 A5B27C38 -248.32 5.05 -9.3 -0.08 0
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176181 76005735 1 O3C19H28 A3B19C28 -175.31 3.67 -9.85 0.51 0
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176182 76006027 1 SiO2C28H30 AB2C28D30 -31.78 1.75 -8.95 -0.34 0
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176183 76006484 1 N2O3C11H16 A2B3C11D16 -107.86 3.68 -9.69 -0.47 0
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176184 76006997 1 FN4O5H21C25 AB4C5D21E25 -125.53 7.9 -9.4 -1.42 0
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176185 76006998 1 N2O4H20C25 A2B4C20D25 -53.55 4.16 -8.52 -0.79 0
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176186 76006999 1 N2O3H20C25 A2B3C20D25 -8.65 2.54 -8.66 -0.77 0
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176187 76007000 1 N2O7H28C29 A2B7C28D29 -152.85 2.98 -8.3 -0.85 0
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176188 76007047 2 O3C10H12 A3B10C12 -140.7 12.48 -8.48 -0.79 0
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176189 76007268 1 ClN2O5H17C23 AB2C5D17E23 -84.77 3.54 -8.63 -1.16 0
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176190 76007306 1 ClNO3C22H24 ABC3D22E24 -106.07 3.0 -8.2 -0.55 0
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176191 76007477 1 NS2O3C17H19 AB2C3D17E19 -75.88 6.82 -9.33 -0.64 -1
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176192 76007542 1 ClFOSN3H16C17 ABCDE3F16G17 40.87 4.76 0.0 0.0 -1
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176193 76007543 1 OSCl2N4H17C19 ABC2D4E17F19 94.47 3.53 0.0 0.0 -1
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176194 76007544 1 ClOSN4H18C19 ABCD4E18F19 102.49 2.55 0.0 0.0 -1