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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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390209 134997744 1 OBr3N3H6C15 AB3C3D6E15 123.01 7.32 -9.49 -2.25 0
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390210 134997767 1 NO2C9H13 AB2C9D13 -45.27 1.76 -9.5 0.14 0
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390211 134997768 1 BrMgO2C13H25 ABC2D13E25 -171.3 2.6 -9.44 -0.19 0
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390212 134997770 1 NSiO4C16H27 ABC4D16E27 -99.38 2.89 -8.78 -0.19 -2
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390213 134997804 1 GaRhC22H36 ABC22D36 3.46 8.89 -8.94 -3.08 0
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390214 134997807 1 AuClGaP3H42C54 ABCD3E42F54 228.25 10.76 -7.31 -1.54 0
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390215 134997825 1 SiO3C16H30 AB3C16D30 -201.78 2.95 -9.51 0.89 0
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390216 134997826 1 Si2C21H36 A2B21C36 29.99 0.27 -8.99 -0.14 0
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390217 134997827 1 SiO2C17H30 AB2C17D30 -104.81 3.33 -9.1 0.66 0
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390218 134997833 1 BrO2C26H43 AB2C26D43 -153.6 3.78 -9.86 -0.64 0
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390219 134997837 1 NOC17H29 ABC17D29 -40.44 3.67 -8.35 0.82 0
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390220 134997848 1 NO2C19H21 AB2C19D21 3.03 3.41 -9.41 -0.64 0
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390221 134997849 2 NOC10H10 ABC10D10 36.93 2.3 -9.82 -0.55 0
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390222 134997856 1 N2O6C23H28 A2B6C23D28 -209.5 5.83 -8.81 -0.13 0
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390223 134997857 1 NO4C13H17 AB4C13D17 -113.79 2.09 -9.26 -0.3 -1
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390225 134997865 1 NO2H15C17 AB2C15D17 2.11 5.23 -9.79 -0.18 0
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390226 134997868 1 SN2O4C11H12 AB2C4D11E12 -49.16 7.85 -10.18 -1.63 0
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390227 134997869 1 NSO2C23H23 ABC2D23E23 -7.17 4.83 -9.27 -0.32 0
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390228 134997871 1 NSO3C15H21 ABC3D15E21 -119.48 5.25 -9.82 -0.16 0
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390229 134997872 1 NO2C21H23 AB2C21D23 -23.99 4.81 -8.55 -0.89 0
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390230 134997882 1 O4H14C17 A4B14C17 -91.31 3.16 -8.76 -0.92 0
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390231 134997884 1 NO6C17H19 AB6C17D19 -184.83 2.06 -8.91 -1.1 0
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390232 134997885 1 O4H14C17 A4B14C17 -88.68 3.14 -8.72 -1.03 0
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390233 134997889 1 NOSiC16H19 ABCD16E19 -21.83 2.91 -9.05 -0.62 0
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390234 134997903 1 N3O4H15C18 A3B4C15D18 -2.32 9.73 -8.64 -1.63 0
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390235 134997909 1 ClON4H17C20 ABC4D17E20 79.62 7.83 -8.51 -1.11 1
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390236 134997947 1 O2N4H23C25 A2B4C23D25 53.57 4.13 0.0 0.0 0
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390237 134997948 1 ClN4O5C21H23 AB4C5D21E23 28.17 8.45 -9.64 -2.97 1
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390238 134997949 1 ON4C21H23 AB4C21D23 47.89 3.13 0.0 0.0 0
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390239 134997964 1 N2O3H20C23 A2B3C20D23 -12.29 4.52 -8.98 -1.06 0
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390240 134997969 1 O9H30C31 A9B30C31 -304.45 7.32 -9.98 -1.42 0
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390241 134997970 1 SiN2Cl6O41C117H134 AB2C6D41E117F134 -1695.67 4.58 -9.24 -0.86 0
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390242 134997978 1 NOC12H13 ABC12D13 -4.03 2.36 -9.13 0.32 0
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390243 134997989 2 ClFPN2O2H18C21 ABCD2E2F18G21 -81.22 10.99 -9.02 -1.22 0
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390244 134997993 1 OSiC15H30 ABC15D30 -113.03 1.77 -8.75 0.39 0
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390245 134997997 1 NO7C14H23 AB7C14D23 -304.07 0.75 -9.4 0.19 0
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390246 134998014 1 O3C8H14 A3B8C14 -126.19 1.89 -10.31 0.81 0
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390247 134998015 1 CrNO4C19H19 ABC4D19E19 119.55 1.24 -8.08 0.08 0
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390248 134998020 1 NOC21H25 ABC21D25 28.8 0.53 -9.25 0.08 0
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390250 134998025 1 NO3C25H41 AB3C25D41 -158.24 2.41 -8.47 0.21 0
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390251 134998031 1 NO2C19H23 AB2C19D23 -53.47 4.6 -8.87 0.08 0
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390252 134998036 1 ON2C17H24 AB2C17D24 -0.74 2.19 -9.3 0.45 0
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390253 134998037 1 NSO2C15H29 ABC2D15E29 -126.27 4.26 -9.47 0.52 0
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390254 134998038 1 NS2O3C12H19 AB2C3D12E19 -103.32 3.35 -9.29 -0.45 0
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390255 134998041 1 LiNC9H10 ABC9D10 23.1 5.38 -7.68 0.57 0
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390256 134998047 1 SN2O4C13H16 AB2C4D13E16 -57.63 7.93 -10.09 -1.59 0
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390257 134998088 2 NO2H6C10 AB2C6D10 -63.62 3.54 -8.86 -1.38 0
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390258 134998091 1 O5C14H18 A5B14C18 -191.56 3.88 -8.7 -0.87 0
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390259 134998093 1 SiO4C13H26 AB4C13D26 -236.04 4.43 -9.22 0.86 0
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390260 134998100 3 ClN2H3C4 AB2C3D4 122.53 1.91 -9.76 -2.04 0
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390261 134998101 1 Cl2N6H12C13 A2B6C12D13 122.24 3.61 -9.52 -1.9 0
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390262 134998119 1 NC20H25 AB20C25 52.83 0.95 -8.84 0.35 0
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390263 134998120 1 ClN3O4C16H16 AB3C4D16E16 76.96 11.93 -10.19 -2.46 1
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390264 134998127 1 N3C17H18 A3B17C18 87.42 3.63 0.0 0.0 0
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390265 134998137 1 O2Se3H12C18 A2B3C12D18 25.79 2.79 -7.78 -2.11 0
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390266 134998142 1 ClO2N3C12H12 AB2C3D12E12 -19.31 2.84 -9.53 -0.65 0
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390267 134998144 2 ON2H7C10 AB2C7D10 66.9 2.89 -9.18 -1.41 0
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390268 134998146 1 O2N4H12C13 A2B4C12D13 22.26 4.04 -10.08 -0.87 0
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390269 134998154 1 SO6F9H13C20 AB6C9D13E20 -628.25 4.1 -10.09 -1.95 0
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390270 134998180 1 N2O3H16C21 A2B3C16D21 44.27 6.18 -8.99 -1.42 0
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390271 134998181 1 SO3C14H24 AB3C14D24 -176.85 2.37 -9.43 0.09 0
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390272 134998183 2 NO4C13H15 AB4C13D15 -274.26 3.06 -8.8 -0.59 0
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390273 134998207 1 PCl2F2O2N3H18C25 AB2C2D2E3F18G25 -60.33 7.57 -9.57 -1.84 0
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390274 134998248 1 O9C25H36 A9B25C36 -364.26 2.71 -9.3 0.27 0
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390275 134998251 1 OC14H28 AB14C28 -111.07 1.95 -10.08 2.98 0
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390277 134998257 2 OC3N8 AB3C8 410.64 3.9 -9.26 -2.59 0
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390278 134998258 1 NSO2C19H21 ABC2D19E21 -35.34 5.8 -8.95 -0.31 0
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390279 134998261 1 NSSiO3C12H27 ABCD3E12F27 -182.04 5.97 -9.17 0.19 0
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390280 134998264 1 O2S2N3H9C14 A2B2C3D9E14 108.2 4.26 -8.91 -1.61 0
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390281 134998265 2 NOSH7C8 ABCD7E8 39.35 3.44 -8.45 -0.76 0
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390282 134998269 1 NOSC20H27 ABCD20E27 5.37 2.06 -8.11 -0.17 0
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390283 134998270 1 SN2O3C19H26 AB2C3D19E26 -25.68 6.42 -8.83 -1.46 0
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390284 134998272 1 NSO2C8H17 ABC2D8E17 -91.6 3.18 -8.16 0.62 0
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390285 134998273 1 NSO2C10H21 ABC2D10E21 -102.78 3.22 -8.1 0.63 0
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390286 134998286 1 CuSi3C31H37 AB3C31D37 100.56 1.17 -8.29 0.14 0
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390287 134998291 1 NSO2C14H19 ABC2D14E19 -48.66 3.89 -9.65 -0.33 0
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390288 134998292 1 NSSiO2C19H29 ABCD2E19F29 -67.77 3.87 -9.68 -0.31 0
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390289 134998306 1 SiO4C14H28 AB4C14D28 -245.27 4.26 -9.32 0.89 0
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390290 134998325 1 ON3H13C16 AB3C13D16 77.31 5.42 -9.09 -1.2 0
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390291 134998327 1 N3H13C16 A3B13C16 108.86 4.43 -9.26 -1.23 0
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390292 134998332 1 H7N7C9 A7B7C9 202.56 2.43 -9.36 -0.92 0
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390293 134998334 4 NC5H6 AB5C6 91.48 2.15 -8.66 0.4 0
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390294 134998339 1 NSO4H17C21 ABC4D17E21 -12.34 2.17 -9.41 -0.82 0
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390295 134998340 1 NO2C22H27 AB2C22D27 -29.25 1.7 -8.72 0.21 0
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390296 134998342 1 NO2C22H27 AB2C22D27 -32.37 2.17 -8.74 0.38 0
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390297 134998344 3 ClNH10C11 ABC10D11 48.91 2.56 -9.01 -0.8 0
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390298 134998347 1 NSiO5C18H25 ABC5D18E25 -138.42 4.06 -9.22 -1.03 0
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390299 134998360 1 Cl3N4O16C51H51 A3B4C16D51E51 -493.07 9.52 -8.74 -0.63 0
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390300 134998361 4 NO4C15H17 AB4C15D17 -509.78 4.49 -9.32 0.04 0
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390301 134998362 1 N4O17C54H64 A4B17C54D64 -572.43 5.1 -9.35 -0.12 0
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390302 134998369 2 O8H28C31 A8B28C31 -475.3 2.58 -9.15 -0.78 0
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390303 134998413 1 ClFNO2C24H27 ABCD2E24F27 -130.84 4.73 -8.56 -0.24 0
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390304 134998428 1 NO4C13H21 AB4C13D21 -182.5 5.14 -9.82 0.18 0
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390305 134998429 1 NSiO3C28H39 ABC3D28E39 -150.0 5.58 -8.92 0.18 0
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390306 134998430 1 PN2O6C14H29 AB2C6D14E29 -337.67 5.78 -8.94 0.96 0
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390307 134998431 1 ON2C19H22 AB2C19D22 33.01 2.99 -8.84 -0.09 0
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390308 134998433 1 NPSiO4C12H28 ABCD4E12F28 -265.63 2.8 -8.78 1.24 0
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390309 134998435 1 NPO6C10H20 ABC6D10E20 -300.62 4.29 -9.35 0.23 0
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390310 134998437 1 NPO6C10H20 ABC6D10E20 -312.59 4.05 -9.26 0.76 0
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390311 134998439 1 NPO6C10H20 ABC6D10E20 -301.32 3.47 -9.15 0.79 0