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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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64301 29198981 1 BrSF2O2N4H13C17 ABC2D2E4F13G17 -80.22 5.77 -9.11 -1.11 0
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64302 29198983 1 SO2N4C16H24 AB2C4D16E24 -41.95 2.21 -8.4 0.01 1
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64303 29198985 1 SN4O4C23H31 AB4C4D23E31 -59.75 7.8 0.0 0.0 0
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64304 29198990 1 BrSN3O5C20H22 ABC3D5E20F22 -144.98 6.41 -9.13 -0.91 0
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64305 29199020 1 ClN4O8H17C18 AB4C8D17E18 -152.96 6.48 -9.68 -1.68 0
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64306 29199029 1 O3N6H24C26 A3B6C24D26 30.18 4.37 -8.62 -0.79 1
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64307 29199030 1 SF2O2N4C21H25 AB2C2D4E21F25 -75.08 1.93 0.0 0.0 0
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64308 29199036 1 ClSO2N4C21H25 ABC2D4E21F25 -10.02 5.77 -8.48 -0.76 0
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64309 29199039 1 ClSO2N4C21H25 ABC2D4E21F25 -11.1 4.2 -8.56 -0.84 0
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64310 29199040 1 ClO2N6C24H25 AB2C6D24E25 16.48 2.32 -9.06 -0.33 1
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64311 29199041 1 FSO2N4C21H26 ABC2D4E21F26 -28.41 6.14 0.0 0.0 0
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64312 29199046 1 SN4O7C20H22 AB4C7D20E22 -199.72 10.95 -9.08 -1.12 0
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64313 29199053 1 ClSO2N4C21H25 ABC2D4E21F25 -7.84 5.42 -8.56 -0.79 0
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64314 29199060 1 BrSO2N4C21H25 ABC2D4E21F25 -18.03 5.95 -8.75 -0.46 0
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64315 29199061 1 SO4N5C22H25 AB4C5D22E25 -94.0 7.12 -8.76 -0.39 0
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64316 29199065 1 SN4O6H20C21 AB4C6D20E21 -97.72 6.32 -8.81 -1.38 1
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64317 29199066 1 FSO2N4C21H26 ABC2D4E21F26 -27.38 6.53 0.0 0.0 0
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64318 29199067 1 FSO2N4C21H25 ABC2D4E21F25 -50.57 5.42 -8.54 -0.68 1
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64319 29199069 1 SO2N4C26H37 AB2C4D26E37 -22.1 5.81 0.0 0.0 0
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64320 29199076 1 SCl2O2N4C21H24 AB2C2D4E21F24 -13.83 6.8 -8.5 -1.0 0
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64321 29199084 2 FN2O2C11H11 AB2C2D11E11 -170.76 2.28 -9.13 -0.93 0
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64322 29199090 1 SF2O2N4H18C19 AB2C2D4E18F19 -90.44 7.02 -9.04 -1.03 0
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64323 29199101 1 SO2N4C24H32 AB2C4D24E32 -26.82 5.65 -8.25 -0.37 0
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64324 29199102 1 O3N6C23H28 A3B6C23D28 -62.85 6.53 -9.19 -0.56 0
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64325 29199107 1 O3N4C20H22 A3B4C20D22 -42.67 5.4 -9.08 -0.35 0
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64326 29199114 1 FO3N4C21H21 AB3C4D21E21 -71.89 3.39 -9.0 -0.88 0
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64327 29199120 2 N2O2C11H13 A2B2C11D13 -96.53 4.39 -8.55 -0.55 0
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64328 29199135 1 O2N5C21H21 A2B5C21D21 14.36 4.25 -8.69 -0.36 1
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64329 29199145 1 ClSO2N4C21H26 ABC2D4E21F26 11.47 6.59 0.0 0.0 0
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64330 29199146 1 ClSO2N4C21H25 ABC2D4E21F25 -13.45 5.93 -8.56 -0.91 0
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64331 29199165 1 SO3N4C23H30 AB3C4D23E30 -54.83 4.71 -8.3 -0.28 0
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64332 29199172 1 SF2O2N6H20C21 AB2C2D6E20F21 -68.83 8.85 -8.93 -0.85 0
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64333 29199175 1 SO2N4C22H28 AB2C4D22E28 -16.49 2.26 -8.44 -0.45 1
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64334 29199178 1 SO2N4C22H29 AB2C4D22E29 9.18 4.84 0.0 0.0 0
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64335 29199181 1 FN2O6C25H27 AB2C6D25E27 -204.36 6.83 -9.01 -1.19 0
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64336 29199184 1 SN5O5C24H29 AB5C5D24E29 -129.33 0.89 -9.11 -0.46 1
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64337 29199185 1 SO2N4C23H31 AB2C4D23E31 5.12 5.7 0.0 0.0 1
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64338 29199188 1 SO2N4C23H31 AB2C4D23E31 -1.77 8.15 0.0 0.0 0
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64339 29199189 1 SO2N4C23H30 AB2C4D23E30 -32.27 6.57 -7.9 -0.31 0
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64340 29199190 1 ClON3H18C19 ABC3D18E19 20.13 4.63 -8.71 -0.51 0
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64341 29199199 1 SO2N4C24H32 AB2C4D24E32 -34.96 8.77 -8.26 -0.31 1
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64342 29199201 1 SO3N4C23H31 AB3C4D23E31 -32.86 6.71 0.0 0.0 0
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64343 29199206 1 N2O4C15H18 A2B4C15D18 -90.48 3.67 -9.04 -0.97 0
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64344 29199209 1 ClON3C15H18 ABC3D15E18 -7.76 5.02 -8.71 -0.38 1
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64345 29199216 1 SO3N4C23H31 AB3C4D23E31 -33.84 5.41 0.0 0.0 0
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64346 29199217 1 SO3N4C23H30 AB3C4D23E30 -57.65 5.9 -8.28 -0.32 1
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64347 29199227 1 SO4N5C21H26 AB4C5D21E26 18.0 6.77 0.0 0.0 0
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64348 29199231 1 SO4N5C22H27 AB4C5D22E27 -23.46 7.81 -8.56 -1.46 0
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64349 29199236 1 SN3O4C17H21 AB3C4D17E21 -157.36 4.71 -9.14 -0.76 1
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64350 29199241 1 SO2N4C25H33 AB2C4D25E33 0.84 8.71 0.0 0.0 1