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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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44169 10501269 1 N2O5H18C23 A2B5C18D23 -130.59 12.99 -9.38 -1.98 0
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44170 10501272 1 PO5C22H27 AB5C22D27 -196.12 1.59 -8.51 0.21 0
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44171 10501284 1 O4N6C19H26 A4B6C19D26 -120.34 4.29 -8.95 -0.59 2
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44173 10501316 1 OSiC26H46 ABC26D46 -147.63 2.05 -8.67 1.12 0
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44174 10501319 1 ClN2O5H19C20 AB2C5D19E20 -126.16 5.83 -9.29 -0.41 0
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44175 10501322 1 ClSO2N4C19H19 ABC2D4E19F19 29.89 2.34 -8.31 -1.18 0
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44176 10501325 1 INO5C14H14 ABC5D14E14 -182.87 4.72 -9.61 -1.48 0
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44177 10501362 1 NSO4C22H29 ABC4D22E29 -156.1 5.02 -8.5 -0.35 0
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44178 10501406 1 SN2O4C8H12 AB2C4D8E12 -123.46 2.22 -8.42 -0.23 1
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44179 10501438 1 OSN2F3H12C15 ABC2D3E12F15 -149.1 8.12 0.0 0.0 0
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44180 10501486 1 NO3C20H23 AB3C20D23 -79.06 4.09 -9.04 -0.44 -1
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44181 10501487 1 NF3O6C18H23 AB3C6D18E23 -374.11 19.48 0.0 0.0 0
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44182 10501500 1 O2N4H18C25 A2B4C18D25 92.43 3.86 -9.06 -1.29 0
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44183 10501602 2 NO2C12H14 AB2C12D14 -124.26 3.86 -8.71 -0.35 0
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44184 10501697 1 F6O6C15H20 A6B6C15D20 -602.24 4.75 -10.36 0.01 0
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44185 10501792 2 ON2C6H7 AB2C6D7 -23.24 6.26 -9.37 -0.69 0
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44186 10501793 1 ClF3N3O4C16H21 AB3C3D4E16F21 -276.11 5.77 -8.79 -1.57 0
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44187 10501794 1 ClF2N3O3C19H20 AB2C3D3E19F20 -165.68 11.72 -9.27 -1.45 0
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44188 10501795 1 ClOSeC21H29 ABCD21E29 -74.16 2.41 -8.54 -0.25 0
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44189 10501848 1 SSiN2O3C21H24 ABC2D3E21F24 -52.96 7.35 -7.77 -0.56 0
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44190 10501849 1 SiO6C21H36 AB6C21D36 -335.24 3.66 -9.03 0.14 0
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44191 10501855 1 N2O3C24H48 A2B3C24D48 -218.72 5.49 -9.12 0.28 0
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44192 10501870 1 NO7C22H23 AB7C22D23 -176.27 4.96 -9.62 -2.06 0
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44193 10501889 1 NSO4C23H27 ABC4D23E27 -132.53 5.71 -8.62 -0.64 0
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44194 10501892 1 NO2C28H31 AB2C28D31 -7.21 3.02 -8.14 -0.29 0
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44195 10501893 1 NO2C28H31 AB2C28D31 -11.87 1.6 -8.59 0.34 0
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44196 10501899 1 ClN3O3C22H24 AB3C3D22E24 -47.5 2.49 -8.88 -0.93 0
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44197 10501910 1 O10C19H26 A10B19C26 -423.9 4.14 -10.06 0.42 0
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44198 10501946 2 O2C13H19 A2B13C19 -193.84 2.68 -9.3 -0.01 0
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44199 10501947 1 S2O3C23H26 A2B3C23D26 -77.92 4.02 -8.39 -0.17 0
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44200 10501962 1 ClN2O4C22H23 AB2C4D22E23 -124.42 7.08 -8.47 -0.33 0
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44201 10501997 1 NO2Br3C10H10 AB2C3D10E10 9.27 4.89 -10.59 -1.54 0
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44202 10501998 1 ClSN5H14C22 ABC5D14E22 167.87 4.97 -8.62 -1.51 0
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44203 10502003 1 IO8C12H17 AB8C12D17 -358.28 2.19 -10.15 -1.46 0
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44204 10502016 1 N2O6H16C23 A2B6C16D23 -13.77 4.75 -9.47 -2.27 0
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44205 10502017 1 O10C19H28 A10B19C28 -458.18 2.97 -10.24 0.48 0
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44206 10502019 2 O4C11H12 A4B11C12 -303.66 4.82 -9.1 -2.01 0
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44207 10502023 1 O6H20C25 A6B20C25 -135.77 5.49 -8.98 -1.09 0
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44208 10502026 1 N4O4H20C23 A4B4C20D23 27.87 7.03 -8.83 -1.56 0
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44209 10502027 1 O2N8H20C21 A2B8C20D21 156.46 4.79 -8.84 -2.35 0
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44210 10502028 1 SO5H16C24 AB5C16D24 -75.25 6.73 -9.69 -1.22 0
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44211 10502029 1 SO4N6C18H20 AB4C6D18E20 -77.96 6.86 -9.05 -1.08 0
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44212 10502030 1 OSN8H16C20 ABC8D16E20 184.34 9.73 -8.68 -1.89 0
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44213 10502033 1 N2O4H24C25 A2B4C24D25 -74.35 3.07 -9.21 -0.75 0
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44214 10502034 1 O3N4C24H24 A3B4C24D24 -43.3 3.02 -8.33 -0.55 0
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44215 10502036 1 SO6C22H24 AB6C22D24 -175.24 4.34 -9.2 -0.22 0
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44216 10502041 2 O3C12H16 A3B12C16 -212.1 1.51 -8.64 -0.2 0
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44217 10502042 2 OH12C15 AB12C15 4.34 3.63 -8.59 -1.73 0
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44218 10502045 1 N2O6C21H40 A2B6C21D40 -338.04 3.82 -9.09 0.47 0
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44219 10502046 1 N2S2O5C18H28 A2B2C5D18E28 -174.87 7.64 -8.72 -0.49 0
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44220 10502047 1 SN2O3C23H32 AB2C3D23E32 -86.35 7.89 -8.59 -0.39 0
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44221 10502052 1 SiO4C24H36 AB4C24D36 -218.26 2.97 -8.93 0.14 0
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44222 10502061 1 ClSO2N4C20H21 ABC2D4E20F21 40.35 3.74 -8.8 -1.19 0
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44223 10502066 1 BrN2S2H17C19 AB2C2D17E19 107.57 4.23 -8.78 -0.73 0
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44224 10502073 3 NO2C7H9 AB2C7D9 -169.09 8.97 -8.91 -1.11 0
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44225 10502082 1 ON7C23H27 AB7C23D27 74.44 6.09 -9.08 -0.8 0
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44226 10502084 1 SN3O4C21H27 AB3C4D21E27 -131.69 4.56 -9.57 -0.18 0
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44227 10502085 1 SN3O4C21H27 AB3C4D21E27 -86.26 2.99 -8.63 -0.26 0
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44228 10502100 1 ClNO4C23H28 ABC4D23E28 -131.09 2.09 -9.37 -0.22 0
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44229 10502104 1 N2O2C15H16 A2B2C15D16 -42.12 3.29 -8.56 0.01 0
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44230 10502106 1 IO4C17H23 AB4C17D23 -187.75 6.29 -9.26 -0.78 0
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44231 10502107 2 NO4C10H11 AB4C10D11 -270.86 2.99 -9.56 -0.79 0
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44232 10502109 1 SN2O7H18C19 AB2C7D18E19 -239.18 2.76 -9.56 -1.24 0
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44233 10502110 1 FO3N4H19C23 AB3C4D19E23 -68.77 12.12 -8.94 -1.58 0
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44234 10502111 1 O10C19H30 A10B19C30 -484.01 3.19 -10.54 0.56 0
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44235 10502116 1 N2O5H22C24 A2B5C22D24 -129.28 6.08 -8.32 -0.8 0
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44236 10502120 1 F3O3C24H25 A3B3C24D25 -208.54 2.78 -9.23 -0.72 0
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44237 10502124 2 NO3C11H15 AB3C11D15 -258.93 2.33 -9.7 -0.17 0
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44238 10502125 1 O3H22C29 A3B22C29 -0.69 3.2 -9.6 -0.81 0
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44239 10502126 1 N2O4C25H26 A2B4C25D26 -62.29 7.2 -9.15 -0.9 0
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44240 10502129 1 N2O4C25H26 A2B4C25D26 -41.12 3.09 -8.79 -0.36 0
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44241 10502136 2 O3C12H17 A3B12C17 -289.48 6.66 -10.43 -0.56 0
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44242 10502142 1 O5C25H38 A5B25C38 -273.53 3.83 -9.11 0.38 0
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44243 10502145 2 O2C13H21 A2B13C21 -214.13 4.42 -8.81 0.33 0
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44244 10502153 1 ClFON4H16C23 ABCD4E16F23 76.5 4.24 -8.95 -1.42 0
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44245 10502154 1 ClSN4O4H15C18 ABC4D4E15F18 -65.94 3.06 -9.22 -1.32 0
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44246 10502163 1 N3O5H21C23 A3B5C21D23 -151.17 11.51 -8.8 -1.46 0
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44247 10502174 1 N2H19C31 A2B19C31 189.27 4.44 0.0 0.0 0
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44248 10502191 1 NO2S4H17C19 AB2C4D17E19 75.61 7.59 -7.74 -1.54 0
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44249 10502195 1 ClN3O3C22H30 AB3C3D22E30 -75.55 7.06 -8.64 -0.41 0
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44250 10502219 1 SN2F3O4C18H23 AB2C3D4E18F23 -265.08 3.67 -8.27 -1.59 0
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44251 10502220 2 O4C11H14 A4B11C14 -316.54 2.47 -9.3 0.28 0
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44252 10502221 1 N2O7C21H28 A2B7C21D28 -299.54 5.9 -9.68 -0.15 0
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44253 10502227 1 SN2O6C20H24 AB2C6D20E24 -228.92 11.27 -9.3 -1.05 0
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44254 10502238 1 N2O3C26H32 A2B3C26D32 -99.21 5.63 -8.39 -0.73 0
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44255 10502240 1 N2O2S2H20C23 A2B2C2D20E23 13.79 8.82 -8.51 -1.74 0
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44256 10502245 1 SO4C24H36 AB4C24D36 -196.98 1.82 -8.58 0.41 0
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44257 10502251 1 SiO3C26H32 AB3C26D32 -130.71 2.04 -9.18 -0.03 0
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44258 10502254 1 ClO7C21H21 AB7C21D21 -241.67 5.53 -8.82 -0.31 0
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44259 10502255 1 ClOSN6H13C20 ABCD6E13F20 81.39 9.42 -8.47 -2.08 0
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44260 10502256 1 ClO2N4H21C23 AB2C4D21E23 84.78 5.79 -8.94 -1.49 0
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44261 10502259 1 SnC22H38 AB22C38 -9.4 0.96 -8.44 0.72 0
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44262 10502262 2 ClNO2H9C10 ABC2D9E10 -111.79 3.66 -8.65 -1.27 0
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44263 10502268 1 NO4H19C27 AB4C19D27 -42.05 10.78 -9.2 -1.56 0
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44264 10502269 1 N3O5C23H23 A3B5C23D23 -156.28 4.29 -8.68 -1.36 0
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44265 10502276 1 NSO2F3C22H22 ABC2D3E22F22 -192.72 3.95 -9.34 -0.33 0
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44266 10502285 1 NSO6C21H27 ABC6D21E27 -231.62 7.99 -9.43 -0.84 0
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44267 10502297 1 SN3O4C21H31 AB3C4D21E31 -138.77 7.94 -8.94 -1.01 0
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44268 10502303 1 NO2C28H39 AB2C28D39 -56.0 4.2 -8.18 0.25 0
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44269 10502320 1 BrNOC24H24 ABCD24E24 35.96 3.49 -9.26 -0.54 0