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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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80158 49833297 1 SO2N8C26H32 AB2C8D26E32 26.35 7.07 -8.68 -1.16 0
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80159 49833304 1 N3O5C36H43 A3B5C36D43 -152.7 6.93 -9.03 -0.77 0
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80160 49833305 1 ClO2N7C35H40 AB2C7D35E40 43.56 1.95 -8.87 -0.72 0
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80161 49833308 1 N2O5C39H48 A2B5C39D48 -185.54 8.41 -9.01 -0.47 0
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80162 49833312 1 N4O5C36H44 A4B5C36D44 -145.12 9.86 -9.16 -0.96 0
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80163 49833330 1 S2O5N9C19H21 A2B5C9D19E21 2.74 10.92 -8.78 -1.06 1
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80164 49833333 1 S2O5N8C20H23 A2B5C8D20E23 -27.3 6.24 0.0 0.0 0
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80165 49833337 1 S2O5N8C21H24 A2B5C8D21E24 -28.19 13.15 -8.74 -0.95 0
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80166 49833357 1 N7O13C26H51 A7B13C26D51 -568.53 9.05 -9.21 0.52 0
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80167 49833359 1 N9O12C28H53 A9B12C28D53 -505.95 5.86 -9.25 0.52 0
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80168 49833360 1 ClIN3O4C30H35 ABC3D4E30F35 -58.8 4.13 -8.76 -0.64 1
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80169 49833361 1 ClN3O4C30H35 AB3C4D30E35 -101.69 13.36 0.0 0.0 1
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80170 49833372 1 FN5O7C42H47 AB5C7D42E47 -227.57 10.88 0.0 0.0 0
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80171 49833384 1 ClF3O3N4H28C30 AB3C3D4E28F30 -214.65 3.0 -8.76 -1.01 0
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80173 49833394 1 N2P2O23C90H170 A2B2C23D90E170 -1346.61 6.5 -8.59 -0.26 0
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80174 49833402 1 N3O4C29H41 A3B4C29D41 -117.38 6.99 -8.47 0.0 0
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80175 49833406 1 BrClN2O4H20C26 ABC2D4E20F26 -83.79 3.46 -8.97 -1.04 0
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80176 49833409 2 ON4H17C18 AB4C17D18 108.21 2.63 -8.42 -0.9 0
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80177 49833410 1 OSF3N9H36C38 ABC3D9E36F38 -5.7 6.8 -7.93 -0.96 0
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80178 49833415 1 ClO2N5C23H24 AB2C5D23E24 -4.03 5.32 -8.53 -0.75 0
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80179 49833419 1 ON6H20C23 AB6C20D23 90.3 2.4 -8.4 -1.07 0
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80180 49833420 1 O2N5H17C22 A2B5C17D22 49.15 3.39 -8.86 -1.19 0
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80181 49833427 1 O3N5H23C25 A3B5C23D25 18.33 1.19 -8.34 -1.37 0
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80182 49833429 1 O3N5C24H27 A3B5C24D27 -29.26 2.65 -8.7 -1.23 0
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80183 49833430 1 Cl2O2N3H25C28 A2B2C3D25E28 -13.95 4.64 -8.21 -0.5 0
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80184 49833434 1 Cl2O4N5H25C29 A2B4C5D25E29 -43.4 4.64 -8.86 -0.6 0
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80185 49833437 1 ClS2F3O3N5C28H31 AB2C3D3E5F28G31 -215.13 5.24 -8.77 -1.47 0
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80186 49833441 1 SF3O5N8C31H35 AB3C5D8E31F35 -293.95 4.35 -9.26 -1.72 0
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80187 49833443 1 SO4N10H26C29 AB4C10D26E29 11.08 7.33 -8.97 -1.32 0
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80188 49833445 1 Cl2N4C17H18 A2B4C17D18 84.07 5.38 -8.96 -0.81 0
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80189 49833457 1 ClOS2N6H21C25 ABC2D6E21F25 93.04 7.64 -8.57 -0.72 0
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80190 49833460 1 ClON8H15C23 ABC8D15E23 183.62 5.48 -10.12 -1.86 0
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80191 49833463 1 Cl2F4O4N7H31C39 A2B4C4D7E31F39 -203.37 5.98 -8.68 -1.01 0
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80192 49833464 1 FCl2O3N9H32C37 AB2C3D9E32F37 14.23 7.28 -9.06 -1.23 0
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80193 49833466 1 SCl2O3N8H28C36 AB2C3D8E28F36 92.72 6.57 -9.22 -1.25 0
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80194 49833470 1 N2F3O5H11C16 A2B3C5D11E16 -249.04 7.23 -9.81 -1.46 0
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80195 49833471 1 N2F3O5H17C23 A2B3C5D17E23 -226.29 6.15 -9.34 -0.96 0
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80196 49833472 1 N2F3O6H13C20 A2B3C6D13E20 -250.78 7.88 -9.58 -1.6 0
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80197 49833490 1 O2N4C27H28 A2B4C27D28 4.49 4.24 -8.8 -0.07 0
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80198 49833495 1 O2F3N5C20H22 A2B3C5D20E22 -182.3 4.66 -8.81 -0.83 0
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80199 49833496 1 SO2N3C25H27 AB2C3D25E27 -13.19 1.99 -8.97 -0.92 0
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80200 49833504 1 O3N5C23H27 A3B5C23D27 -69.64 3.7 -8.66 -0.42 0
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80201 49833506 1 FO2N5C23H26 AB2C5D23E26 -62.89 4.44 -8.62 -0.46 0
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80202 49833510 1 FO3N5C30H30 AB3C5D30E30 -76.13 6.91 -8.49 -0.47 0
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80203 49833520 1 S2O6N8C19H20 A2B6C8D19E20 -41.72 10.86 -8.78 -1.51 1
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80204 49833521 1 S2O6N8C19H21 A2B6C8D19E21 -47.84 8.64 0.0 0.0 0
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80205 49833530 1 SO3N5H19C21 AB3C5D19E21 15.55 3.59 -9.0 -1.02 0
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80206 49833531 1 SO3N4H20C21 AB3C4D20E21 -10.23 4.66 -8.86 -1.03 0
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80208 49833537 1 BN3O5H22C23 AB3C5D22E23 -166.62 1.9 -8.56 -0.17 1
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80209 49833538 1 BN3O5C23H23 AB3C5D23E23 -196.64 5.91 0.0 0.0 0
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80210 49833539 1 BN2O7C23H29 AB2C7D23E29 -329.2 11.18 -8.2 -0.8 1
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80211 49833540 1 BN2O7C23H30 AB2C7D23E30 -319.7 4.92 0.0 0.0 0
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80212 49833596 1 ClN2O5H25C27 AB2C5D25E27 -136.42 2.49 -8.78 -0.51 0
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80213 49833601 1 ClON8H25C31 ABC8D25E31 118.43 2.45 -8.48 -0.86 0
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80214 49833606 1 ClO4N5C26H28 AB4C5D26E28 -92.82 3.99 -8.71 -0.8 0
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80215 49833609 1 FON6H19C25 ABC6D19E25 53.62 2.91 -8.8 -1.11 0
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80216 49833611 1 FON6H19C23 ABC6D19E23 33.55 3.45 -8.65 -1.09 0
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80217 49833615 1 ClSO3N4C21H21 ABC3D4E21F21 -40.29 10.58 -8.44 0.06 0
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80218 49833625 1 ClS2F3N4O4H20C22 AB2C3D4E4F20G22 -233.14 2.26 -9.82 -1.46 0
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80219 49833626 1 ClS2F3O3N5C26H27 AB2C3D3E5F26G27 -207.37 3.5 -8.7 -1.44 0
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80220 49833628 1 ClSO3F4N6H33C34 ABC3D4E6F33G34 -227.48 7.64 -8.49 -1.2 0
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80221 49833632 1 SF3O4N7H20C27 AB3C4D7E20F27 -181.74 10.38 -9.64 -2.02 0
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80222 49833639 1 ClN4C13H17 AB4C13D17 71.09 2.54 -8.91 -0.42 0
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80223 49833642 1 Cl2N3O5C31H33 A2B3C5D31E33 -151.42 6.36 -8.76 -0.49 0
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80224 49833645 1 ClFN2O4H22C26 ABC2D4E22F26 -124.87 3.56 -8.72 -0.47 0
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80225 49833647 1 SN4O4H20C23 AB4C4D20E23 -25.16 4.92 -8.44 -0.86 0
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80226 49833648 1 Cl2S2O3N7H15C22 A2B2C3D7E15F22 85.17 7.37 -9.56 -1.49 0
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80227 49833651 1 FCl2O4N8H31C38 AB2C4D8E31F38 12.13 7.53 -9.38 -1.23 0
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80228 49833656 1 Cl2F3O5N8H31C38 A2B3C5D8E31F38 -136.3 7.76 -9.31 -1.48 0
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80229 49833657 1 ClO2N3H10C13 AB2C3D10E13 41.27 4.2 -9.59 -1.0 0
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80230 49833659 1 F2N3O4H9C14 A2B3C4D9E14 -124.73 2.61 -9.73 -1.11 0
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80231 49833662 1 SN2O5H20C23 AB2C5D20E23 -62.39 8.72 -9.18 -1.01 0
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80232 49833663 1 ClO2N3C19H20 AB2C3D19E20 19.91 2.57 -9.12 -0.45 0
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80233 49833667 1 O4N10C27H34 A4B10C27D34 -37.14 3.42 -8.62 -1.07 0
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80234 49833675 2 FON3C11H12 ABC3D11E12 -100.45 6.99 -8.89 -0.82 0