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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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145264 53490090 1 FO2N6C23H23 AB2C6D23E23 9.6 4.88 -9.65 -1.63 0
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145265 53490124 1 O2N6C25H28 A2B6C25D28 47.56 1.4 -9.47 -1.65 0
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145266 53490125 2 ON3C12H13 AB3C12D13 50.08 5.04 -9.43 -1.66 0
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145267 53490126 1 O3N6C26H30 A3B6C26D30 1.28 3.64 -8.77 -1.63 0
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145268 53490158 1 ClFO2N6H20C22 ABC2D6E20F22 9.58 4.79 -9.72 -1.73 0
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145269 53490492 1 FO2N3C21H22 AB2C3D21E22 -81.44 1.52 -9.07 -1.15 0
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145270 53490599 1 SO2N4C19H28 AB2C4D19E28 -68.0 7.63 -9.19 -0.29 0
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145271 53490600 1 SO2N4C21H32 AB2C4D21E32 -78.85 7.65 -9.04 -0.22 0
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145272 53490619 1 SO3N6C23H34 AB3C6D23E34 -101.52 8.71 -9.16 -0.37 0
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145273 53491041 1 SF2O3N4H16C22 AB2C3D4E16F22 -62.35 5.24 -9.66 -1.76 0
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145274 53491042 1 SCl2O3N4H16C22 AB2C3D4E16F22 12.2 4.54 -9.56 -1.68 0
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145275 53491339 1 N2O2C15H16 A2B2C15D16 -17.38 2.64 -8.84 -0.48 0
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145276 53491470 1 FSO4N6H27C28 ABC4D6E27F28 -34.75 8.58 -8.63 -0.98 0
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145277 53491471 1 N13O13C43H77 A13B13C43D77 -651.95 12.28 -9.46 -0.1 0
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145278 53491827 1 ClO2N4C23H23 AB2C4D23E23 -28.17 10.75 -9.32 -1.94 0
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145279 53492019 1 O5N7C28H35 A5B7C28D35 -110.59 7.28 -8.63 -1.01 0
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145280 53492048 1 ClSO2N4H17C22 ABC2D4E17F22 31.4 5.73 -8.14 -0.77 0
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145281 53492302 1 N2P2O11C23H36 A2B2C11D23E36 -573.48 5.38 -9.01 -0.31 0
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145282 53492303 1 FeLiN2P2O14C24H34 ABC2D2E14F24G34 -745.01 3.97 0.0 0.0 0
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145283 53492715 1 F2O2N4H14C21 A2B2C4D14E21 -49.51 7.86 -9.05 -0.68 0
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145284 53492851 1 ON5C19H19 AB5C19D19 62.35 5.51 -9.23 -0.71 0
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145285 53493004 1 O2N4F7H15C23 A2B4C7D15E23 -308.26 1.37 -9.76 -1.19 0
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145286 53493005 1 O2N5C32H33 A2B5C32D33 59.35 7.01 -8.54 -0.68 0
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145287 53493204 1 NO3C21H23 AB3C21D23 -82.53 4.9 -9.42 -1.21 0
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145288 53493205 1 NO2C21H25 AB2C21D25 -56.04 2.38 -9.49 -0.11 0
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145289 53493443 1 F3O7H21C24 A3B7C21D24 -381.1 3.73 -9.27 -1.46 0
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145290 53493589 1 NSO2C12H15 ABC2D12E15 -33.34 2.62 -8.68 0.17 0
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145291 53493721 2 OC10H15 AB10C15 -97.05 3.48 -9.31 0.45 0
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145292 53493727 1 O3H18C20 A3B18C20 -71.0 4.54 -9.18 -0.38 0
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145293 53493779 1 F3N4C19H19 A3B4C19D19 -97.0 6.55 -8.5 -0.86 0
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145294 53493801 1 ClFSN3O5C27H29 ABCD3E5F27G29 -191.43 18.36 -8.81 -1.0 0
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145295 53493840 2 NOC17H27 ABC17D27 -144.59 6.75 -8.92 0.94 0
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145296 53493924 1 ClS2N4O4C25H29 AB2C4D4E25F29 -73.9 6.45 -8.54 -1.24 0
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145297 53493925 1 ClS2N4O5C25H29 AB2C4D5E25F29 -122.11 2.93 -8.56 -1.31 0
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145298 53493926 1 ClSO2N3C18H22 ABC2D3E18F22 -41.62 4.62 -8.82 -0.9 0
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145299 53494429 1 ON6C14H16 AB6C14D16 44.35 10.28 -9.19 -0.83 1
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145300 53494683 1 NaN8O9C68H70 AB8C9D68E70 -234.94 13.76 0.0 0.0 0
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145301 53495263 1 ClN4O4H21C24 AB4C4D21E24 -39.07 4.12 -9.39 -0.98 1
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145302 53495264 1 ClN4O4H22C24 AB4C4D22E24 -27.34 5.91 0.0 0.0 0
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145303 53495265 1 NO2C12H21 AB2C12D21 -102.72 1.29 -8.98 0.83 0
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145304 53495428 1 SO3H16C19 AB3C16D19 20.88 1.41 -8.59 -0.26 0
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145305 53495429 1 SO3H14C17 AB3C14D17 4.66 2.48 -8.5 -0.26 0
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145306 53495430 1 SO3H20C21 AB3C20D21 -11.0 1.31 -8.48 -0.15 0
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145307 53495691 1 ClNO5C20H20 ABC5D20E20 -160.93 4.0 -8.79 -0.54 0
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145308 53495917 1 N11O15C48H85 A11B15C48D85 -782.25 17.04 -9.41 -0.52 0
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145309 53496395 4 NC4H4 AB4C4 116.44 0.21 -8.84 -1.17 0
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145310 53496556 1 O5C16H22 A5B16C22 -184.61 1.88 -8.51 0.02 0
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145311 53496557 1 O5C21H30 A5B21C30 -189.62 1.62 -8.54 -0.07 0
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145312 53496786 1 BrNSiC22H24 ABCD22E24 35.18 2.31 -8.67 -0.12 0
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145313 53497107 1 NO3H13C16 AB3C13D16 -54.72 1.71 -9.1 -0.79 0