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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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194295 78511915 2 NO2H8C10 AB2C8D10 -81.18 7.02 -9.49 -1.07 0
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194296 78512323 1 Cl2N3O3H15C18 A2B3C3D15E18 -67.73 6.4 -8.83 -1.34 0
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194297 78512324 1 SN3O4C21H23 AB3C4D21E23 -71.68 3.73 -8.8 -0.9 0
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194298 78512325 1 N3O6H19C20 A3B6C19D20 -109.68 7.36 -8.74 -1.27 0
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194299 78512326 1 N2O3C20H20 A2B3C20D20 -76.07 4.23 -8.56 -0.17 0
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194300 78512327 1 FN2O3H19C21 AB2C3D19E21 -101.72 3.32 -8.59 -0.77 -1
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194301 78512328 1 N2O3C17H17 A2B3C17D17 33.95 3.43 0.0 0.0 0
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194302 78512329 1 N2O3C17H18 A2B3C17D18 -1.75 10.03 -9.13 -1.48 0
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194303 78512330 1 N2O5C21H22 A2B5C21D22 -144.71 4.37 -8.49 -0.03 1
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194304 78513011 1 ON2C16H19 AB2C16D19 5.26 3.25 0.0 0.0 0
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194305 78513275 1 N3O3C14H17 A3B3C14D17 -86.53 3.01 -9.03 -0.12 0
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194306 78513276 1 BrN2O3C19H21 AB2C3D19E21 -95.08 3.9 -8.91 -0.6 0
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194307 78513349 1 N3O4C23H29 A3B4C23D29 -149.57 2.49 -8.98 -0.15 0
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194308 78513637 1 Cl2N3O3C18H21 A2B3C3D18E21 -145.34 7.7 -9.3 -0.61 0
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194309 78513638 1 SN3O5C20H23 AB3C5D20E23 -139.05 4.25 -9.28 -0.78 0
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194310 78513639 1 N3O5C20H31 A3B5C20D31 -251.18 7.03 -9.38 -0.1 0
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194311 78514075 1 NO7H21C22 AB7C21D22 -224.48 9.07 -9.08 -1.21 0
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194312 78514112 1 N2O6C19H22 A2B6C19D22 -213.38 2.58 -8.82 -0.7 0
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194313 78514135 2 O3C11H11 A3B11C11 -179.93 2.15 -8.77 -0.67 0
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194314 78514343 1 SN3O4C21H21 AB3C4D21E21 -104.83 1.98 -9.44 -1.65 0
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194315 78514344 1 SN3O5C19H23 AB3C5D19E23 -196.65 2.89 -8.63 -0.46 0
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194316 78514689 1 N3O4C24H27 A3B4C24D27 -101.5 7.4 -9.09 -1.69 0
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194317 78514690 1 ClN3O4H20C21 AB3C4D20E21 -97.96 2.67 -8.9 -1.6 0
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194318 78514691 1 N3O4H19C20 A3B4C19D20 -79.52 3.44 -8.98 -1.65 0
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194319 78515167 1 SO2N3C23H27 AB2C3D23E27 -62.36 4.01 -8.85 -1.15 0
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194320 78515170 1 ClSO2N3C21H22 ABC2D3E21F22 -64.01 3.02 -8.89 -1.21 0
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194321 78515455 1 S2O3N4C18H20 A2B3C4D18E20 -46.87 3.49 -8.83 -0.86 1
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194322 78515824 1 O2N3C19H22 A2B3C19D22 -26.45 1.58 0.0 0.0 0
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194323 78516409 1 NO4H19C23 AB4C19D23 -73.93 4.58 -8.69 -0.89 0
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194324 78516410 1 NO4H17C22 AB4C17D22 -69.28 6.27 -8.68 -1.1 1
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194325 78516635 1 N2O3C22H27 A2B3C22D27 -45.41 3.94 0.0 0.0 0
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194326 78516643 1 N3O3C23H27 A3B3C23D27 -98.47 1.07 -9.49 -0.22 0
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194327 78516694 1 N2O3H18C19 A2B3C18D19 -60.47 4.5 -9.37 -1.05 0
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194328 78516698 1 N3O3H17C18 A3B3C17D18 -28.2 3.18 -9.44 -0.54 1
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194329 78516699 1 O2N3C25H30 A2B3C25D30 -6.55 5.73 0.0 0.0 0
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194330 78516711 1 ClN6H13C17 AB6C13D17 148.03 3.56 -8.69 -1.2 0
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194331 78516876 1 NO4C24H25 AB4C24D25 -114.01 4.35 -8.97 -0.48 1
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194332 78517535 1 ClO3N4C20H26 AB3C4D20E26 -91.55 5.29 0.0 0.0 0
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194333 78517815 1 FSN2O3H17C19 ABC2D3E17F19 -114.4 4.16 -9.08 -0.99 0
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194334 78517816 1 ClOSN5C18H18 ABCD5E18F18 63.52 4.77 -9.21 -0.71 0
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194335 78517817 1 OSN5C22H27 ABC5D22E27 47.95 4.6 -9.11 -0.67 0
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194336 78517818 1 BrO5H11C12 AB5C11D12 -173.96 5.15 -9.54 -0.93 0
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194337 78517905 1 N2O3C22H26 A2B3C22D26 -97.35 4.72 -9.28 -0.95 1
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194338 78517906 1 NO4C13H24 AB4C13D24 -170.2 3.63 0.0 0.0 0
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194339 78518055 1 N4O5C17H18 A4B5C17D18 -155.24 2.19 -9.41 -1.05 0
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194340 78518224 1 N3O5C21H27 A3B5C21D27 -153.45 8.17 -9.5 -1.31 0
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194341 78518332 1 NSCl2O3C19H21 ABC2D3E19F21 -129.67 6.2 -9.3 -1.05 0
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194342 78518333 1 NSO3C20H25 ABC3D20E25 -113.74 1.9 -8.61 -0.84 0
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194343 78518407 1 FN3O5C21H26 AB3C5D21E26 -256.07 7.33 -9.06 -0.27 -1
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194344 78519218 1 NS2O5H16C20 AB2C5D16E20 -69.2 9.42 0.0 0.0 0