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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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11217 112005 2 OC5H8 AB5C8 -90.76 4.63 -9.56 0.46 0
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11218 112033 1 O3C13H22 A3B13C22 -129.39 3.66 -9.96 0.86 0
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11219 112039 1 O5C8H12 A5B8C12 -223.15 4.04 -10.56 0.27 0
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11220 112051 1 O2C17H24 A2B17C24 -85.49 1.68 -9.53 -0.56 0
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11221 112057 1 N2O3C11H26 A2B3C11D26 -169.66 3.33 -8.82 2.01 0
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11222 112065 1 OC10H20 AB10C20 -92.49 2.05 -10.34 2.95 0
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11223 112067 1 OC15H30 AB15C30 -114.4 1.97 -10.13 3.0 0
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11224 112076 1 SN3O3C22H37 AB3C3D22E37 -121.63 7.56 -8.67 -0.35 0
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11225 112077 1 O5C24H30 A5B24C30 -147.33 7.3 -8.71 -0.38 0
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11226 112108 1 NNaSO5H10C14 ABCD5E10F14 -130.07 15.0 -10.01 -1.66 0
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11228 112124 1 N2O6C19H20 A2B6C19D20 -140.72 8.29 -9.94 -1.43 0
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11229 112125 1 CuSN2O8C14H32 ABC2D8E14F32 -327.37 10.64 0.0 0.0 0
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11230 112131 1 N4O7C28H46 A4B7C28D46 -348.84 3.5 -10.06 0.14 0
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11231 112141 1 NO7C22H37 AB7C22D37 -361.26 7.77 -8.78 0.15 0
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11232 112173 1 N2O5C32H34 A2B5C32D34 -139.8 8.19 -8.15 -1.14 0
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11233 112189 1 SN3O4C23H29 AB3C4D23E29 -108.66 6.21 -8.23 -1.05 0
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11234 112193 1 O6C29H36 A6B29C36 -210.05 1.08 -8.66 -0.48 0
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11235 112198 1 NaSO5C18H29 ABC5D18E29 -269.27 5.91 -8.57 0.4 0
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11236 112215 1 NC11H13 AB11C13 31.77 3.08 -9.68 0.03 0
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11237 112218 1 OC13H20 AB13C20 -30.73 2.22 -9.4 0.95 0
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11238 112238 1 O2N6C21H26 A2B6C21D26 61.02 4.86 -8.53 -1.07 0
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11239 112308 1 S2O7C32H50 A2B7C32D50 -335.91 7.76 -9.76 -0.77 0
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11240 112339 1 N3C26H49 A3B26C49 -86.26 1.29 -8.64 3.17 0
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11242 112344 1 N2O3H16C18 A2B3C16D18 -59.49 8.03 -8.62 -1.07 0
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11243 112387 1 SN5O5H25C27 AB5C5D25E27 -31.04 6.04 -9.09 -1.79 0
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11244 112388 1 SO4N6H16C17 AB4C6D16E17 44.64 6.56 -9.15 -1.73 0
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11245 112396 1 NSO5C10H12F13 ABC5D10E12F13 -857.72 3.48 -9.55 -1.62 0
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11246 112414 1 NO6C15H33 AB6C15D33 -263.65 4.04 -8.47 1.69 0
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11247 112432 1 SN4O4H16C18 AB4C4D16E18 -64.65 3.25 -8.39 -1.47 0
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11248 112459 1 NO2H19C20 AB2C19D20 -6.3 2.96 -9.11 -1.46 0
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11249 112465 1 C11H24 A11B24 -60.26 0.08 -10.6 4.1 0
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11250 112469 12 CH2 AB2 -56.47 0.06 -10.69 3.84 0
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11251 112476 2 OSC10H19 ABC10D19 -156.57 3.8 -8.92 0.04 0
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11252 112482 1 NO3C7H17 AB3C7D17 -143.78 8.11 -8.92 0.33 0
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11253 112494 1 OC14H20 AB14C20 -45.01 3.18 -9.34 0.28 0
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11254 112507 1 NO2Cl3C13H14 AB2C3D13E14 -99.5 2.42 -9.29 -0.95 0
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11255 112508 1 ClO2C25H41 AB2C25D41 -144.87 2.5 -9.04 -0.52 0
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11256 112538 1 N4O10C25H30 A4B10C25D30 -401.08 8.38 -9.88 -2.17 0
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11257 112551 1 N2O6C33H60 A2B6C33D60 -378.32 3.89 -9.98 -0.01 0
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11258 112553 2 OC5H8 AB5C8 -101.38 5.45 -9.88 0.87 0
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11259 112591 1 SN2O5C21H21 AB2C5D21E21 -120.96 8.27 0.0 0.0 1
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11260 112617 1 ClSN2O7C38H57 ABC2D7E38F57 -362.94 5.51 -8.67 -0.79 0
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11261 112625 1 ClC5H7 AB5C7 29.75 2.46 -10.63 0.78 0
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11262 112626 1 NOC25H41 ABC25D41 -67.66 4.67 -9.09 0.12 0
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11263 112628 1 ClSN3O6C36H52 ABC3D6E36F52 -272.12 3.89 -9.11 -0.7 0
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11264 112659 1 Cl2N3S4O6C33H45 A2B3C4D6E33F45 -222.14 13.69 -8.21 -2.03 0
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11265 112660 1 NNaSO7H16C20 ABCD7E16F20 -259.71 8.27 -8.24 -0.49 0
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11266 112702 1 O2C13H22 A2B13C22 -125.99 2.09 -9.1 0.96 0
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11267 112710 1 SN2H25C26 AB2C25D26 81.34 4.16 0.0 0.0 1
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11268 112711 1 O3C44H78 A3B44C78 -278.38 1.98 -8.38 0.35 0