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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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81168 49854425 1 O3N4C19H22 A3B4C19D22 -78.12 7.7 -9.16 -0.4 0
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81169 49854426 1 O3N4C20H24 A3B4C20D24 -87.49 5.88 -8.88 -0.56 0
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81170 49854427 4 NOC5H6 ABC5D6 -115.19 5.62 -9.11 -0.44 0
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81171 49854428 4 NOC5H6 ABC5D6 -113.97 9.44 -9.13 -0.42 0
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81172 49854429 1 O4N5C19H21 A4B5C19D21 -107.53 11.19 -9.08 -0.64 0
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81173 49854430 1 O3N4C20H24 A3B4C20D24 -86.73 6.53 -8.94 -0.37 0
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81174 49854431 1 O3N4H22C25 A3B4C22D25 -33.94 4.86 -9.41 -0.9 0
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81175 49854432 1 O3N4H24C26 A3B4C24D26 -43.23 7.25 -9.17 -0.68 0
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81176 49854433 1 ON4C18H18 AB4C18D18 16.86 7.43 -9.24 -0.68 0
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81177 49854434 1 N5O5C27H33 A5B5C27D33 -200.8 8.94 -9.0 -0.84 0
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81178 49854435 1 O3N5C22H25 A3B5C22D25 -90.88 11.6 -8.72 -0.66 0
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81179 49854436 1 O3N5C22H25 A3B5C22D25 -89.38 9.17 -8.91 -0.77 0
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81180 49854437 1 NaS2N6O11C19H27 AB2C6D11E19F27 -457.46 5.74 -8.91 -0.96 0
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81181 49854438 1 O7C27H34 A7B27C34 -261.11 5.97 -9.71 -1.39 2
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81182 49854439 1 MgSO2F3N3H14C16 ABC2D3E3F14G16 -146.83 6.88 -5.87 -0.73 2
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81183 49854440 1 MgSO2F3N3H14C16 ABC2D3E3F14G16 -150.07 4.43 -6.07 -0.86 0
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81184 49854441 2 NO12C25H47 AB12C25D47 -1154.87 6.99 -8.61 -0.53 0
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81185 49854442 1 SF2O2N5H15C17 AB2C2D5E15F17 -72.68 4.05 -8.66 -0.53 0
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81186 49854443 1 BrSO4N5C19H20 ABC4D5E19F20 -65.73 6.27 -8.44 -0.79 0
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81187 49854444 1 FSO3N5C18H18 ABC3D5E18F18 -66.22 3.4 -8.38 -0.38 0
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81188 49854445 1 BrSO4N5C19H20 ABC4D5E19F20 -62.26 5.41 -8.45 -0.51 0
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81189 49854446 1 SO2F3N5H14C17 AB2C3D5E14F17 -121.15 7.09 -8.83 -0.75 0
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81190 49854447 1 SO2F3N5H14C17 AB2C3D5E14F17 -119.29 4.92 -8.82 -0.66 0
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81191 49854448 1 O2N7C30H43 A2B7C30D43 -25.6 1.56 -8.67 0.08 0
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81192 49854449 1 O2N7C31H45 A2B7C31D45 -25.07 7.94 -8.62 0.04 0
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81193 49854450 1 O2N7C31H45 A2B7C31D45 -26.31 7.38 -8.65 0.04 0
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81194 49854451 1 O2N7C31H45 A2B7C31D45 -29.13 6.64 -8.82 -0.24 0
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81195 49854452 1 O2N7C30H43 A2B7C30D43 -24.5 6.91 -8.8 0.08 0
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81196 49854453 1 SN7O11C33H47 AB7C11D33E47 -416.69 5.64 -9.28 -0.82 0
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81197 49854454 1 SN7O10C37H49 AB7C10D37E49 -350.77 10.46 -8.99 -0.63 0
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81198 49854455 1 SN7O10C37H49 AB7C10D37E49 -364.54 9.49 -9.42 -1.24 0
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81199 49854456 1 SN4O4H24C25 AB4C4D24E25 -31.87 5.61 -9.29 -1.08 0
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81200 49854457 1 SO4N5C27H29 AB4C5D27E29 -46.22 5.53 -9.06 -1.24 0
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81201 49854458 1 SN4O5H22C23 AB4C5D22E23 -73.51 4.43 -8.93 -1.34 0
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81202 49854459 1 SN4O5C24H24 AB4C5D24E24 -69.6 6.5 -9.16 -1.04 0
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81203 49854460 1 SN4O5C25H26 AB4C5D25E26 -73.3 6.69 -9.18 -1.09 0
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81204 49854461 1 O2S2N5C19H25 A2B2C5D19E25 -53.88 5.07 -8.53 -0.97 0
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81205 49854462 1 O2S2N5C19H23 A2B2C5D19E23 -19.86 0.71 -8.38 -0.84 0
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81206 49854463 1 SO3N7C22H29 AB3C7D22E29 -88.09 5.89 -9.08 -1.28 0
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81207 49854464 1 SO3N7C24H33 AB3C7D24E33 -80.35 3.27 -8.79 -1.19 0
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81208 49854465 1 SO3N6C19H24 AB3C6D19E24 -84.39 2.94 -9.07 -1.26 0
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81209 49854466 1 O2S2N5C19H25 A2B2C5D19E25 -51.98 3.47 -8.44 -0.9 0
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81210 49854467 1 ClN2O3C25H31 AB2C3D25E31 -126.93 5.88 -8.65 -0.18 0
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81211 49854468 2 NO2C11H12 AB2C11D12 -103.34 3.58 -9.06 -0.72 0
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81212 49854469 1 N2O3C23H28 A2B3C23D28 -105.99 2.81 -8.78 -0.05 0
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81213 49854470 2 NO2C12H14 AB2C12D14 -117.7 6.28 -8.97 -0.41 0
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81214 49854471 1 F2N2O3C23H26 A2B2C3D23E26 -197.43 5.1 -9.08 -0.56 0
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81215 49854472 1 N2O3C27H28 A2B3C27D28 -69.03 2.25 -8.87 -0.88 0
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81216 49854473 1 ON2F3H17C18 AB2C3D17E18 -158.59 3.59 -8.2 -0.73 0
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81217 49854474 1 ClON2C17H17 ABC2D17E17 -6.68 3.01 -8.12 -0.32 0
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81218 49854475 1 ON2C18H20 AB2C18D20 -1.89 3.27 -8.03 -0.09 0
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81219 49854476 1 ON2C20H24 AB2C20D24 -10.59 2.32 -7.92 -0.08 0
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81220 49854477 1 O2N3C19H21 A2B3C19D21 -46.75 7.88 -8.26 -0.25 0
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81221 49854478 1 N2O2H16C17 A2B2C16D17 -48.63 1.79 -8.69 -0.05 0
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81222 49854479 1 SN2O3C16H16 AB2C3D16E16 -81.92 4.45 -8.74 -0.08 0
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81223 49854480 1 O2N3C20H23 A2B3C20D23 -65.52 3.4 -8.52 0.0 0
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81224 49854481 1 ClSN3O4C24H24 ABC3D4E24F24 -86.27 9.14 -8.3 -1.25 0
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81225 49854482 1 SN3O4H27C28 AB3C4D27E28 -58.78 9.73 -8.13 -1.32 0
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81226 49854483 1 FSN3O5C25H26 ABC3D5E25F26 -165.03 4.51 -7.99 -1.18 0
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81227 49854484 1 ClSO4N5C24H26 ABC4D5E24F26 -101.43 7.36 -9.0 -1.58 0
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81228 49854485 1 SN4O5C24H26 AB4C5D24E26 -144.54 9.05 -8.83 -1.71 0
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81229 49854486 1 SN4O5H24C27 AB4C5D24E27 -90.16 11.52 -8.91 -1.69 0
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81230 49854487 1 SN4O6C26H28 AB4C6D26E28 -179.73 9.98 -8.84 -1.71 0
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81231 49854488 1 SN4O5C28H32 AB4C5D28E32 -151.98 9.54 -8.84 -1.69 0
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81232 49854489 1 N3O5C37H47 A3B5C37D47 -167.0 4.48 -8.42 -0.28 0
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81233 49854490 1 N4O4C35H44 A4B4C35D44 -122.12 4.86 -8.51 -0.26 0
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81234 49854491 1 N4O4C37H48 A4B4C37D48 -128.68 4.6 -8.36 -0.16 0
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81235 49854492 1 N4O4H32C33 A4B4C32D33 -56.52 4.86 -8.38 -0.27 0
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81236 49854493 1 ON9C23H25 AB9C23D25 77.88 5.61 -8.42 -0.39 0
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81237 49854494 1 O2N9C23H25 A2B9C23D25 46.43 3.57 -8.33 -0.38 0
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81238 49854495 1 ON9C23H25 AB9C23D25 82.12 1.92 -8.38 -0.31 0
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81239 49854496 1 ON9C23H23 AB9C23D23 113.64 4.51 -8.51 -0.42 0
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81240 49854497 1 ON9C22H23 AB9C22D23 85.45 5.55 -8.5 -0.51 0
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81241 49854498 1 ClON9C22H22 ABC9D22E22 75.47 4.4 -8.41 -0.66 0
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81242 49854499 2 OF2N2C10H11 AB2C2D10E11 -237.55 2.25 -9.07 -0.43 0