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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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66151 46500007 2 NO3C11H11 AB3C11D11 -192.31 5.78 -8.81 -0.58 0
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66152 46500014 1 SN3O4H15C17 AB3C4D15E17 -74.68 10.9 -9.08 -1.56 0
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66153 46500022 1 NO5H21C26 AB5C21D26 -91.94 4.48 -8.73 -1.25 0
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66154 46500025 1 N2O2F3C19H21 A2B2C3D19E21 -211.34 11.39 -8.92 -0.68 0
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66155 46500330 1 BrO4N8C16H17 AB4C8D16E17 64.35 3.28 -8.68 -1.61 0
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66156 46500332 1 FO4N8H21C22 AB4C8D21E22 39.93 2.16 -8.45 -1.56 0
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66157 46500336 1 FON6H9C10 ABC6D9E10 81.4 1.9 -9.1 -1.27 0
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66158 46500338 2 ON3C9H13 AB3C9D13 51.47 3.14 -8.56 -1.31 0
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66159 46500339 1 O4N7C13H15 A4B7C13D15 14.02 2.2 -8.7 -1.28 1
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66160 46500341 1 BrNO2H17C18 ABC2D17E18 -8.46 3.64 0.0 0.0 1
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66161 46500344 1 ClNOH19C20 ABCD19E20 8.66 3.18 0.0 0.0 0
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66162 46500346 1 ClOSN2H15C24 ABCD2E15F24 97.68 4.46 -8.57 -1.44 1
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66163 46500347 1 NO3H24C25 AB3C24D25 -34.03 5.74 0.0 0.0 0
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66164 46500351 1 S2O3N7C16H23 A2B3C7D16E23 -32.05 2.86 -9.12 -0.55 0
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66165 46500353 1 BrSN3O3H14C19 ABC3D3E14F19 6.44 8.94 -8.6 -1.44 0
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66166 46500360 1 F3N4C17H17 A3B4C17D17 -70.37 4.92 -8.8 -0.99 0
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66167 46500362 1 SN3O3H17C20 AB3C3D17E20 19.34 5.73 -8.7 -1.73 0
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66168 46500364 1 SF2O4N5H19C20 AB2C4D5E19F20 -159.02 5.83 -8.92 -0.86 0
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66169 46500367 1 BrO2N3H16C21 AB2C3D16E21 37.19 3.28 -9.16 -0.86 0
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66170 46500368 1 NO2F3C15H18 AB2C3D15E18 -235.85 5.27 -9.49 -0.55 0
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66171 46500374 1 FSN3O3C22H22 ABC3D3E22F22 -65.22 2.88 -8.44 -1.07 0
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66172 46500375 1 SN3O3H15C19 AB3C3D15E19 -30.14 4.79 -8.84 -2.1 0
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66173 46500376 1 BrSN3O3H14C19 ABC3D3E14F19 -27.05 2.95 -8.89 -2.27 0
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66174 46500377 1 N2F3O3C21H27 A2B3C3D21E27 -268.44 5.47 -8.61 -0.23 0
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66175 46500378 1 N2O4F5C15H15 A2B4C5D15E15 -401.38 3.22 -8.89 -0.66 0
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66176 46500379 1 ClN2O2F3C17H20 AB2C2D3E17F20 -234.56 4.45 -9.68 -0.96 0
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66177 46500382 1 ClSN2O2F3C17H20 ABC2D2E3F17G20 -225.08 5.11 -8.74 -0.43 0
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66178 46500384 1 F3O3H21C23 A3B3C21D23 -225.36 7.57 -9.05 -1.31 0
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66179 46500385 1 N2F3O3C18H23 A2B3C3D18E23 -251.77 6.4 -9.02 -0.23 0
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66180 46500386 1 N4O6C19H28 A4B6C19D28 -175.64 1.27 -8.64 -0.88 0
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66181 46500388 1 BrO2N4H7C9 AB2C4D7E9 -36.11 4.98 -9.29 -1.53 0
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66182 46500389 3 NC5H5 AB5C5 48.38 2.02 -7.92 -0.86 1
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66183 46500391 1 NOC20H22 ABC20D22 18.79 2.74 0.0 0.0 1
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66184 46500392 1 NOC21H24 ABC21D24 12.76 2.85 0.0 0.0 1
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66185 46500393 1 NO3C23H26 AB3C23D26 -73.72 6.15 0.0 0.0 1
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66186 46500394 1 NO2C21H22 AB2C21D22 -26.76 1.1 0.0 0.0 1
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66187 46500395 1 N2O2C19H19 A2B2C19D19 50.36 7.55 0.0 0.0 0
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66188 46500400 1 ON4H12C18 AB4C12D18 100.08 1.16 -8.73 -1.75 0
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66189 46500401 1 N3O3H11C16 A3B3C11D16 -2.36 6.19 -9.26 -1.82 0
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66190 46500403 1 ON2S2H18C21 AB2C2D18E21 47.04 9.88 -8.17 -1.38 1
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66191 46500405 1 ON2C21H23 AB2C21D23 40.58 2.75 0.0 0.0 1
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66192 46500407 1 NOC18H18 ABC18D18 11.58 1.49 0.0 0.0 0
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66193 46500408 1 ClN2O3S3H17C19 AB2C3D3E17F19 -31.71 12.49 -8.83 -2.05 1
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66194 46500409 1 ClN2O3S3H18C19 AB2C3D3E18F19 -60.3 8.97 0.0 0.0 1
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66195 46500411 1 ClN2O3S3H18C19 AB2C3D3E18F19 -56.5 6.21 0.0 0.0 1
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66196 46500415 1 SN2C15H15 AB2C15D15 73.34 4.33 0.0 0.0 0
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66197 46500417 1 NSO2H11C20 ABC2D11E20 25.35 2.19 -8.39 -1.77 0
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66198 46500418 1 N2S3O4C21H22 A2B3C4D21E22 -93.94 13.35 -8.63 -1.83 1
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66199 46500420 1 ON2S2C19H19 AB2C2D19E19 27.91 3.39 0.0 0.0 0
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66200 46500421 1 N2S3O4C21H22 A2B3C4D21E22 -94.48 16.91 -8.73 -1.98 1