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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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444382 135262233 1 O3F4C5H6 A3B4C5D6 -328.22 1.45 -11.03 -0.21 0
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444383 135262234 1 BrNO2C15H18 ABC2D15E18 -58.61 3.37 -8.94 -1.02 0
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444384 135262236 1 NSO4H19C20 ABC4D19E20 -113.75 6.91 -8.33 -0.75 0
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444385 135262237 1 O3C14H18 A3B14C18 -52.02 2.03 -9.58 0.14 0
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444386 135262238 1 ClSN13O13C70H82 ABC13D13E70F82 -437.88 11.61 -7.88 -1.52 0
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444387 135262239 1 SF3O6N8H35C39 AB3C6D8E35F39 -251.53 8.34 -8.78 -1.36 0
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444388 135262240 1 FON7C22H24 ABC7D22E24 48.85 3.84 -9.05 -1.18 0
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444389 135262241 1 FO3C7H13 AB3C7D13 -206.28 4.14 -9.55 0.33 0
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444390 135262245 1 O3N6C20H34 A3B6C20D34 -128.1 3.55 -8.23 0.79 0
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444391 135262251 1 FN4O6H39C41 AB4C6D39E41 -173.21 1.17 -8.68 -1.27 0
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444392 135262252 1 NSO4C13H13 ABC4D13E13 -142.95 6.53 -8.41 -0.78 0
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444393 135262254 1 ClO5N7C45H48 AB5C7D45E48 -94.22 5.98 -8.75 -1.57 0
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444394 135262256 1 H2O3C4F6 A2B3C4D6 -433.43 1.94 -12.67 -0.99 0
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444395 135262279 1 SO3N6C23H28 AB3C6D23E28 -33.98 3.04 -8.37 -0.66 0
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444396 135262282 1 O3F4C6H8 A3B4C6D8 -330.6 2.35 -11.04 -0.26 0
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444397 135262295 1 ON8C23H26 AB8C23D26 98.94 2.21 -8.89 -1.05 0
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444398 135262309 1 H4C5F6 A4B5C6 -296.83 1.19 -11.79 -0.92 0
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444399 135262310 1 NC15H15 AB15C15 69.14 5.23 -9.38 -0.64 0
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444400 135262312 1 NO2F3C18H22 AB2C3D18E22 -227.95 3.51 -9.31 -0.26 0
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444401 135262313 1 NO2F3C20H26 AB2C3D20E26 -250.41 1.27 -8.87 -0.71 0
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444402 135262317 1 NOF6C17H21 ABC6D17E21 -361.47 3.95 -8.84 -0.11 0
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444403 135262318 2 FON4H8C11 ABC4D8E11 2.99 2.39 -9.16 -1.38 0
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444404 135262320 1 FO2N6H15C18 AB2C6D15E18 19.71 2.17 -9.19 -1.29 0
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444405 135262321 1 ON7H13C17 AB7C13D17 108.24 3.66 -8.99 -1.25 0
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444406 135262323 1 ClSO3N4C17H21 ABC3D4E17F21 -65.43 4.65 -8.62 -1.18 0
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444407 135262324 1 OF2N8H18C24 AB2C8D18E24 37.21 3.59 -9.11 -1.34 0
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444408 135262326 1 OF3N7C22H22 AB3C7D22E22 -63.4 7.82 -8.75 -0.93 0
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444409 135262329 1 F2O2N7H25C29 A2B2C7D25E29 -22.25 2.16 -9.14 -1.29 0
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444410 135262330 1 O2N7C24H27 A2B7C24D27 61.22 2.06 -8.77 -0.95 0
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444411 135262331 1 ClO5N8C43H51 AB5C8D43E51 -131.28 8.94 -8.75 -0.92 0
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444412 135262332 1 F2O3C7H12 A2B3C7D12 -243.42 1.43 -9.65 0.17 0
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444413 135262333 1 ClSO3N6C27H29 ABC3D6E27F29 0.51 2.01 -8.69 -0.73 0
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444414 135262334 1 SO3N6C27H28 AB3C6D27E28 44.94 2.64 -8.31 -0.54 0
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444415 135262335 1 O2N5H13C17 A2B5C13D17 84.36 2.38 -9.19 -0.94 0
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444416 135262337 1 O2N7H17C19 A2B7C17D19 63.52 3.79 -9.08 -1.12 0
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444417 135262346 1 FO2N8C24H27 AB2C8D24E27 15.8 4.12 -8.57 -1.03 -1
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444418 135262356 1 SN2F3O4C28H28 AB2C3D4E28F28 -194.0 3.97 0.0 0.0 0
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444419 135262357 1 SN2F3O4C28H29 AB2C3D4E28F29 -246.56 4.46 -8.96 -0.49 0
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444420 135262358 1 O4N5C26H27 A4B5C26D27 -45.09 4.77 -8.36 -1.33 0
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444421 135262360 1 FO4N8C24H25 AB4C8D24E25 -90.44 4.78 -8.74 -1.18 0
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444422 135262361 1 O3N9C28H33 A3B9C28D33 -5.59 2.14 -8.96 -1.2 0
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444423 135262362 1 FN7C27H28 AB7C27D28 82.76 1.48 -8.88 -1.07 0
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444424 135262363 1 ON7C23H27 AB7C23D27 98.29 3.91 -8.56 -0.95 0
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444425 135262365 1 F2O3N7H23C24 A2B3C7D23E24 -92.23 1.75 -9.28 -1.37 0
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444426 135262367 1 F2O3N7H23C24 A2B3C7D23E24 -103.3 7.79 -9.02 -1.47 0
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444427 135262368 1 FO2N6C21H21 AB2C6D21E21 3.78 2.18 -9.04 -1.22 -1
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444428 135262371 1 NSO4F6H20C21 ABC4D6E20F21 -425.36 8.14 0.0 0.0 0
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444429 135262373 1 SO3N5H15C18 AB3C5D15E18 26.97 5.91 -9.13 -0.83 0
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444430 135262374 1 FO2N7C20H20 AB2C7D20E20 13.01 5.32 -9.07 -1.23 0
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444431 135262386 1 FSO4N8H19C20 ABC4D8E19F20 -57.97 2.92 -8.76 -1.24 0
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444432 135262388 1 OF3N8C25H25 AB3C8D25E25 -61.58 7.4 -8.97 -1.18 0
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444433 135262395 1 OF2N7H19C21 AB2C7D19E21 -12.59 2.88 -9.04 -1.24 0
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444434 135262398 1 O2N4H16C19 A2B4C16D19 61.41 1.45 -9.1 -0.79 0
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444435 135262415 1 O3N7H17C19 A3B7C17D19 26.19 3.96 -9.13 -1.13 0
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444436 135262436 1 O3N4H14C15 A3B4C14D15 -23.52 8.8 -9.54 -1.21 0
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444437 135262437 1 ClFN6H12C17 ABC6D12E17 91.79 3.46 -9.22 -1.26 0
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444438 135262438 1 ClNO2C12H24 ABC2D12E24 -105.57 16.86 -7.66 -0.91 0
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444439 135262440 1 OF2N10H16C21 AB2C10D16E21 55.53 2.35 -9.29 -1.55 0
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444440 135262441 1 ON8C25H28 AB8C25D28 90.01 5.83 -9.0 -1.16 0
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444441 135262443 1 FSO3N7H16C18 ABC3D7E16F18 -15.52 4.68 -8.77 -1.21 0
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444442 135262444 2 NH6C9 AB6C9 89.15 1.47 -8.15 -0.68 0
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444443 135262445 2 O3N4C10H12 A3B4C10D12 -172.98 4.85 -8.86 -0.46 0
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444444 135262454 1 SP2N3O8C29H35 AB2C3D8E29F35 -370.54 3.02 -9.01 -1.22 0
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444445 135262456 1 SP2N4O7C20H24 AB2C4D7E20F24 -347.81 4.16 -8.94 -1.25 0
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444446 135262458 1 FSP2N5O7H18C20 ABC2D5E7F18G20 -363.49 4.52 -9.04 -1.25 0
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444447 135262462 1 NSO2H11C12 ABC2D11E12 -39.32 1.91 -9.36 -1.57 0
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444448 135262465 1 ClNSO2H12C13 ABCD2E12F13 -46.12 2.47 -9.06 -1.44 0
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444449 135262466 1 BrClN2O2H4C9 ABC2D2E4F9 42.89 3.28 -10.22 -1.99 0
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444450 135262467 1 ION4C20H23 ABC4D20E23 35.17 5.17 -8.98 -1.44 0
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444451 135262470 1 IO2N4C19H19 AB2C4D19E19 27.66 7.08 -9.12 -1.53 0
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444452 135262486 1 ClNSO4H12C13 ABCD4E12F13 -121.57 2.99 -9.87 -1.71 0
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444453 135262488 1 N3O4C23H33 A3B4C23D33 -175.24 4.91 -8.61 -0.57 0
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444454 135262492 1 NSO2C13H13 ABC2D13E13 -39.97 2.03 -8.98 -1.32 0
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444455 135262496 1 ClO2N3C18H24 AB2C3D18E24 -63.7 4.13 -8.67 -0.36 0
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444456 135262498 1 ION4C19H19 ABC4D19E19 56.93 5.22 -9.06 -1.47 0