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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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320110 126658284 2 NO2C7H13 AB2C7D13 -208.02 2.27 -9.4 0.3 0
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320111 126658285 2 FO3N5C27H31 AB3C5D27E31 -235.78 5.05 -7.9 -0.69 0
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320112 126658287 1 FO8N10C51H67 AB8C10D51E67 -294.1 7.64 -7.93 -0.3 0
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320113 126658298 2 F2O3N5C29H33 A2B3C5D29E33 -342.96 4.48 -8.67 -0.94 0
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320114 126658299 1 O6F7N11C57H64 A6B7C11D57E64 -509.82 9.59 -8.56 -0.79 0
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320115 126658303 2 FO3N5C28H33 AB3C5D28E33 -257.93 4.34 -8.34 -0.41 0
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320116 126658309 1 ON6H18C22 AB6C18D22 116.74 3.79 -9.17 -1.21 0
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320117 126658319 1 FO6N10C46H59 AB6C10D46E59 -238.44 4.12 -8.58 -0.4 0
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320118 126658324 1 FN3O3C16H16 AB3C3D16E16 -72.36 4.44 -9.34 -0.82 0
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320119 126658326 1 F2O6N10C55H68 A2B6C10D55E68 -271.56 5.67 -8.2 -0.35 0
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320120 126658334 1 FO7N9C51H64 AB7C9D51E64 -276.64 3.21 -8.71 -0.52 0
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320121 126658338 1 O6N9C52H65 A6B9C52D65 -172.95 7.0 -7.94 -0.24 0
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320122 126658339 1 O3F4N6C36H38 A3B4C6D36E38 -232.46 4.08 -8.43 -0.51 0
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320123 126658343 1 O6N9C51H59 A6B9C51D59 -153.3 4.47 -8.45 -0.76 0
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320124 126658347 2 N2O2C14H15 A2B2C14D15 -97.53 3.11 -9.06 -0.89 0
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320125 126658353 1 FON4H11C17 ABC4D11E17 71.23 4.86 -9.73 -1.33 0
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320126 126658358 1 ClO3C11H11 AB3C11D11 -111.47 7.57 -9.86 -0.98 0
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320127 126658380 1 OCl2N6H14C19 AB2C6D14E19 121.38 3.49 -8.78 -1.18 0
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320128 126658416 1 ClOF3N6C18H18 ABC3D6E18F18 -80.54 2.53 -8.56 -1.22 0
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320129 126658421 1 F3O3N6C17H17 A3B3C6D17E17 -173.5 4.66 -9.13 -1.04 0
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320130 126658426 1 OF3N5H16C22 AB3C5D16E22 -40.87 6.46 -9.01 -1.18 0
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320131 126658431 1 OF3N5C22H22 AB3C5D22E22 -66.23 3.76 -9.12 -1.02 0
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320132 126658433 1 ClNO5C15H16 ABC5D15E16 -174.86 4.47 -9.1 -1.0 0
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320133 126658434 1 ON5H21C22 AB5C21D22 101.9 10.44 -8.93 -0.56 0
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320134 126658436 1 NSO4C20H29 ABC4D20E29 -115.12 7.21 -8.56 -0.04 0
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320135 126658437 1 NOSC8H19 ABCD8E19 -65.36 3.23 -8.43 0.74 0
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320136 126658441 1 NC16H25 AB16C25 75.4 2.8 -8.18 0.17 0
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320137 126658445 1 ClO7N8C40H49 AB7C8D40E49 -179.4 4.97 -8.55 -0.94 0
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320138 126658446 1 ClO6N8C33H47 AB6C8D33E47 -205.14 5.73 -8.56 -0.95 0
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320139 126658455 1 OF2N4H16C20 AB2C4D16E20 -2.87 6.83 -9.41 -1.25 0
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320140 126658460 1 ClOF3N6H12C18 ABC3D6E12F18 -34.9 8.55 -8.91 -1.49 0
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320141 126658464 1 NSF3O7C19H28 ABC3D7E19F28 -493.16 2.15 -8.99 -0.42 0
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320142 126658467 2 OH9C10 AB9C10 4.05 3.33 -8.32 -0.02 0
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320143 126658473 2 OC7H11 AB7C11 -83.36 1.06 -8.08 0.41 0
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320144 126658477 1 O5N6C22H30 A5B6C22D30 -154.09 7.52 -9.06 -0.74 0
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320145 126658480 1 ClON5H10C14 ABC5D10E14 84.84 4.36 -9.06 -1.07 0
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320146 126658481 1 ClON5H12C18 ABC5D12E18 150.22 7.22 -9.44 -1.48 0
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320147 126658482 1 O5N6C22H38 A5B6C22D38 -231.07 2.76 -9.28 -0.59 0
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320148 126658483 2 N3O3C12H17 A3B3C12D17 -218.59 5.63 -9.16 -0.82 0
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320149 126658484 1 N6O6C29H36 A6B6C29D36 -178.36 7.4 -9.06 -1.14 0
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320150 126658486 2 N3O3C10H17 A3B3C10D17 -259.27 9.02 -9.44 -0.84 0
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320151 126658487 1 FNOCl2C13H14 ABCD2E13F14 -90.53 3.79 -9.88 -0.94 0
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320152 126658488 1 FNOCl2C13H16 ABCD2E13F16 -107.71 4.35 -9.39 -0.37 0
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320153 126658489 1 FNOCl2C15H20 ABCD2E15F20 -105.63 5.0 -8.96 -0.45 0
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320154 126658490 2 NC8H9 AB8C9 156.71 2.29 -8.98 -0.47 0
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320155 126658492 1 O12C17H28 A12B17C28 -530.97 7.29 -10.57 -1.16 0
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320156 126658494 1 O5N6C30H38 A5B6C30D38 -135.96 2.92 -9.25 -0.47 0
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320157 126658499 1 ClOF3N5H17C18 ABC3D5E17F18 -114.18 5.38 -9.89 -1.02 0
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320158 126658502 1 ClOF3N5H15C18 ABC3D5E15F18 -78.66 5.82 -9.16 -1.2 0
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320159 126658504 1 ClOF3N5H11C17 ABC3D5E11F17 -35.06 7.96 -9.69 -1.44 0
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320160 126658507 1 ClO2F3N4H12C18 AB2C3D4E12F18 -85.8 6.52 -9.35 -1.45 0
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320161 126658509 1 OF2N4H12C18 AB2C4D12E18 16.32 5.89 -9.56 -1.19 0
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320162 126658512 1 OF3N5H12C17 AB3C5D12E17 -40.14 2.55 -9.26 -1.3 0
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320163 126658513 1 OCl2N4H16C18 AB2C4D16E18 81.31 5.83 -9.54 -1.45 0
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320164 126658515 1 ClOF3N6C19H24 ABC3D6E19F24 -111.01 5.12 -8.47 -0.86 0
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320165 126658516 1 ON5C24H25 AB5C24D25 97.36 7.09 -8.9 -1.09 0
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320166 126658517 1 ClOSF3N5H9C15 ABCD3E5F9G15 -45.26 8.35 -9.72 -1.56 0
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320167 126658518 1 ClON5C24H28 ABC5D24E28 93.74 6.73 -8.58 -1.25 0
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320168 126658519 1 ClON5C25H28 ABC5D25E28 94.23 5.4 -8.97 -1.37 0
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320169 126658521 2 S4N14O20C51H52 A4B14C20D51E52 -909.92 14.58 -9.15 -2.52 0
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320170 126658527 2 NC7H8 AB7C8 107.25 1.86 -8.43 -0.77 0
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320171 126658540 1 ClO6N8C37H49 AB6C8D37E49 -187.62 4.43 -8.5 -0.9 0
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320172 126658548 1 PN4O8C20H33 AB4C8D20E33 -398.07 13.72 -8.74 0.14 0
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320173 126658551 1 N3O5C22H35 A3B5C22D35 -239.14 4.52 -9.67 -1.58 0
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320174 126658552 1 N3O5C22H35 A3B5C22D35 -239.28 2.44 -9.71 -1.46 0
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320175 126658554 1 N5O5C16H25 A5B5C16D25 -201.24 7.25 -9.08 -0.62 0
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320176 126658555 2 N2O2C7H10 A2B2C7D10 -126.66 12.58 -9.19 -0.31 0
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320177 126658557 1 PN4O7C20H33 AB4C7D20E33 -354.45 5.81 -8.84 -0.41 0
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320178 126658559 1 O4C17H20 A4B17C20 -118.06 3.07 -8.31 -0.31 0
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320179 126658560 1 PN2O9C21H39 AB2C9D21E39 -520.53 6.57 -10.04 0.34 0
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320180 126658562 1 O5N6C28H42 A5B6C28D42 -196.92 6.39 -9.19 -0.65 0
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320181 126658564 1 SO3N5C25H25 AB3C5D25E25 -2.76 4.28 -9.61 -1.08 1
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320182 126658565 1 PN4O8C18H30 AB4C8D18E30 -378.89 11.21 0.0 0.0 0
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320183 126658573 1 N6O6C29H38 A6B6C29D38 -196.99 4.16 -8.66 -0.67 0
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320184 126658577 1 S7N10O22H26C40 A7B10C22D26E40 -428.2 3.13 -8.94 -2.83 0