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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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400146 135045960 1 NSO4C26H31 ABC4D26E31 -115.31 4.62 -8.87 -0.43 0
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400147 135045961 1 NSO4C23H35 ABC4D23E35 -178.74 6.08 -9.54 -0.5 0
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400148 135045963 1 AgClPO4C13H13 ABCD4E13F13 -99.96 20.35 -9.06 -5.77 0
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400149 135045967 1 IMgSiH15C18 ABCD15E18 17.13 5.54 -8.07 -0.53 0
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400150 135045984 1 LiO2C7H9 AB2C7D9 -77.53 6.01 -7.96 1.76 -4
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400152 135046008 2 H16C17 A16B17 558.34 4.33 -8.15 -1.63 0
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400153 135046014 1 SiO2C22H36 AB2C22D36 -153.02 3.61 -8.85 -0.01 0
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400154 135046017 1 BCuLiNC3F3H3 ABCDE3F3G3 -180.79 12.97 -6.98 -0.01 0
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400155 135046075 1 BrO2C16H27 AB2C16D27 -98.1 3.69 -9.55 0.19 0
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400156 135046076 1 IS2O8H19C22 AB2C8D19E22 -243.18 2.98 -8.5 -0.81 0
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400157 135046098 1 SiO3C23H30 AB3C23D30 -143.43 2.08 -9.02 -0.14 0
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400158 135046105 1 OSiH20C22 ABC20D22 33.4 3.13 -8.77 -0.39 0
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400159 135046130 1 BrHgC7H11 ABC7D11 55.91 6.61 -8.38 -0.63 0
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400161 135046132 1 CuNC5H9 ABC5D9 174.9 1.21 0.0 0.0 0
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400162 135046136 1 O5C23H38 A5B23C38 -252.28 1.07 -9.06 1.05 0
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400163 135046138 1 NSi5C21H47 AB5C21D47 -180.82 0.57 -6.74 0.37 0
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400164 135046140 1 NSiO8C28H37 ABC8D28E37 -260.07 5.86 -9.29 -0.95 0
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400165 135046141 1 NSi3O8C34H53 AB3C8D34E53 -312.13 3.64 -8.88 -0.92 0
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400168 135046164 1 O5C22H28 A5B22C28 -136.19 1.01 -8.74 0.27 0
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400169 135046175 1 NSi2O8C52H83 AB2C8D52E83 -471.97 5.21 -8.76 -0.16 0
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400170 135046184 1 SiO2C10H18 AB2C10D18 -110.98 2.38 -9.26 0.64 0
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400171 135046185 1 CuLiO2C18H30 ABC2D18E30 8.57 4.69 -8.22 1.65 -4
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400172 135046186 1 Au2P2Cl4H28C29 A2B2C4D28E29 140.09 9.21 -8.11 -1.78 0
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400173 135046196 1 SiO2C25H30 AB2C25D30 -89.59 3.51 -9.07 -0.18 0
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400174 135046198 1 NSO4C32H55 ABC4D32E55 -243.44 7.53 -9.23 -0.17 0
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400176 135046223 1 ClPO6H28C29 ABC6D28E29 -34.57 10.36 -9.57 -2.6 0
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400179 135046271 1 C11H19 A11B19 -9.09 0.83 0.0 0.0 0
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400181 135046317 1 ClHgOC11H19 ABCD11E19 -66.78 5.14 -9.82 0.1 0
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400183 135046347 1 ClHgO3C15H21 ABC3D15E21 -64.95 7.65 -9.25 -0.43 0
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400185 135046356 1 ZrC23H42 AB23C42 174.57 5.32 -5.54 -1.47 0
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400187 135046365 1 AlC16H33 AB16C33 -75.7 0.57 -8.85 1.5 0
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400188 135046380 1 SO2C22H32 AB2C22D32 -76.95 6.22 -9.23 0.3 -4
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400191 135046396 1 BrLiC10H10 ABC10D10 85.54 15.07 -7.12 -0.08 0
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400192 135046400 1 OSnC20H34 ABC20D34 -14.11 2.15 -9.28 1.27 0
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400197 135046454 1 O7C21H26 A7B21C26 -285.91 2.54 -9.67 -0.79 0
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400198 135046468 1 SZrC20H30 ABC20D30 -4.0 3.74 -5.46 -3.21 0
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400203 135046553 1 SiC19H24 AB19C24 12.16 0.9 -9.08 0.35 0
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400204 135046565 1 OC14H28 AB14C28 -101.12 1.85 -9.2 1.43 0
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400206 135046578 1 KC5H7 AB5C7 26.85 9.54 -5.75 0.11 0
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400212 135046649 1 NOYSi2C23H46 ABCD2E23F46 -44.51 16.75 -5.2 -0.9 0
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400213 135046652 1 BC19H35 AB19C35 -65.08 0.18 -8.98 0.6 -3
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400225 135046702 1 ONa2C14H16 AB2C14D16 -40.48 10.33 -6.43 -0.08 0
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400226 135046703 1 OSiLi2C23H36 ABC2D23E36 -121.79 11.0 -6.28 0.94 0
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400227 135046704 1 OSiC23H38 ABC23D38 -81.73 2.0 -8.03 0.81 0
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400231 135046763 1 O3C13H20 A3B13C20 -128.25 3.28 -9.45 0.33 0
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400235 135046820 1 ZrCl2Si2N4C16H36 AB2C2D4E16F36 -232.03 3.38 -7.2 -0.96 0
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400237 135046853 1 C9H16 A9B16 2.19 0.45 -9.31 1.32 -1
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400241 135046872 1 CdN2Se4C10H20 AB2C4D10E20 111.86 12.17 -7.21 -1.8 0
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400242 135046873 1 SiO7C20H38 AB7C20D38 -428.23 3.5 -9.91 0.57 0
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400243 135046881 1 SiO7C15H30 AB7C15D30 -393.47 3.35 -9.01 0.13 0
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400245 135046895 1 SiZrBr2C20H30 ABC2D20E30 -107.58 6.35 -6.56 -2.95 0
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400246 135046897 1 CrSnO9C31H48 ABC9D31E48 -224.1 7.92 -7.03 0.14 1
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400247 135046911 1 NWC9H10 ABC9D10 181.16 2.93 0.0 0.0 0
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400249 135046961 1 NPO2C23H27 ABC2D23E27 7.51 2.84 0.0 0.0 0
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400250 135046971 1 NPO2C27H35 ABC2D27E35 -20.81 2.55 0.0 0.0 0
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400251 135046972 1 FePSiO3F6C14H17 ABCD3E6F14G17 -544.67 4.89 -8.69 -0.13 0
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400252 135046988 1 CrNO3C16H17 ABC3D16E17 16.79 2.73 -7.13 0.19 0
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400254 135046993 1 MoCl2N2O2C24H40 AB2C2D2E24F40 -194.73 9.65 -8.4 0.39 0
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400255 135047011 1 CrC4Na4O4 AB4C4D4 -26.54 2.55 -4.62 -0.18 0
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400256 135047023 1 SC13H21 AB13C21 14.48 2.02 0.0 0.0 2
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400257 135047033 1 FeN2O4C19H36 AB2C4D19E36 190.91 23.51 -3.3 -0.95 0
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400258 135047037 1 ClRuO3H5C6 ABC3D5E6 -45.77 3.37 -8.12 -2.38 0
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400259 135047038 1 FeNI2C15H21 ABC2D15E21 130.75 12.92 -7.64 -0.42 0
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400260 135047055 1 CrNO5C23H23 ABC5D23E23 15.66 1.53 -8.04 -0.43 1
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400265 135047110 1 MoO2C12H12 AB2C12D12 65.2 5.8 -7.42 0.36 -3
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400268 135047134 1 TiCl2H24C25 AB2C24D25 315.42 1.81 -7.26 -2.32 0
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400269 135047140 1 ReO3H8C10 AB3C8D10 25.99 4.7 0.0 0.0 0
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400270 135047158 1 NOC10H15 ABC10D15 14.63 2.67 -8.6 -0.46 0
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400272 135047171 1 NC18H18 AB18C18 94.77 1.76 0.0 0.0 0
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400273 135047188 1 NOC15H27 ABC15D27 -40.68 13.17 -6.76 0.09 0
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400274 135047198 1 SSiC13H18 ABC13D18 -1.71 3.39 -8.03 0.11 0
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400275 135047200 1 NSiC14H26 ABC14D26 -2.68 1.78 0.0 0.0 0
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400276 135047203 1 FeBr2N2C30H34 AB2C2D30E34 169.02 13.54 -6.64 -1.81 0
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400277 135047211 1 ReCl2C10H19 AB2C10D19 94.46 1.34 -8.36 -1.6 0
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400278 135047219 1 CrO5H16C18 AB5C16D18 79.64 2.63 -6.44 -0.12 0