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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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45443 10513491 1 NO2H13C14 AB2C13D14 20.65 1.41 -8.83 -0.4 0
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45444 10513510 1 ClNH10C14 ABC10D14 53.63 2.03 -8.6 -0.56 0
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45445 10513513 1 BrNO2H6C8 ABC2D6E8 -43.49 3.58 -8.33 -0.41 0
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45446 10513527 1 FO4C11H13 AB4C11D13 -193.99 4.55 -9.45 -0.42 0
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45447 10513532 1 O5C11H16 A5B11C16 -194.1 3.86 -9.72 -0.57 0
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45448 10513576 1 ClSO3C8H17 ABC3D8E17 -165.79 3.9 -11.18 -1.69 0
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45449 10513593 1 NO2C14H15 AB2C14D15 -16.41 3.32 -8.42 0.14 0
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45450 10513602 1 N3C14H19 A3B14C19 45.11 5.02 -8.11 0.44 0
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45451 10513661 1 SN2C13H14 AB2C13D14 63.71 5.4 -9.05 -0.5 0
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45452 10513665 1 N2C15H22 A2B15C22 9.71 2.25 -8.36 0.37 0
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45453 10513667 1 SiO3C11H22 AB3C11D22 -180.04 6.26 -9.53 0.41 0
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45454 10513684 1 NO3C13H13 AB3C13D13 -95.51 8.8 -8.96 -1.0 0
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45455 10513694 1 NO4C11H21 AB4C11D21 -210.19 2.43 -9.99 0.63 0
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45456 10513695 1 NO4C11H21 AB4C11D21 -225.74 6.22 -10.04 0.6 0
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45457 10513697 1 NO2C14H17 AB2C14D17 -60.57 3.6 -8.97 -0.24 0
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45458 10513700 1 NO2C14H17 AB2C14D17 -29.41 5.57 -9.67 -0.33 0
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45460 10513763 1 O2C15H20 A2B15C20 -72.2 1.16 -8.54 0.38 0
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45461 10513782 1 C17H28 A17B28 -13.14 0.88 -8.67 0.77 0
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45462 10513784 1 S3C10H16 A3B10C16 -19.68 5.63 -8.83 0.09 0
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45463 10513788 2 NC6H12 AB6C12 -31.24 2.28 -9.15 1.43 0
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45464 10513802 1 NO3C13H15 AB3C13D15 -100.89 2.92 -8.17 -0.08 0
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45465 10513806 1 FN3C13H16 AB3C13D16 12.01 3.6 -9.16 -0.17 0
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45467 10513825 1 NOC15H23 ABC15D23 -51.37 3.57 -9.13 0.34 0
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45468 10513895 1 NO4C12H13 AB4C12D13 -130.72 2.79 -10.04 -0.31 0
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45469 10513905 1 O2N5C10H13 A2B5C10D13 -19.07 8.32 -9.37 -0.78 0
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45470 10513923 1 NO2C14H21 AB2C14D21 -87.17 4.36 -9.46 -0.02 0
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45471 10513950 2 NO3C4H8 AB3C4D8 -250.55 4.13 -9.96 0.59 0
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45472 10513967 1 O4C13H16 A4B13C16 -154.83 2.45 -8.63 0.26 0
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45473 10513969 1 O4C13H16 A4B13C16 -161.88 3.55 -9.13 -0.5 0
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45474 10513970 2 OH6C8 AB6C8 52.69 1.1 -9.98 -1.3 0
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45475 10513984 1 O3C14H20 A3B14C20 -103.13 3.62 -9.59 0.14 0
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45476 10514001 1 O2C15H24 A2B15C24 -88.39 1.34 -8.73 -0.11 0
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45477 10514011 1 SSiC13H20 ABC13D20 -11.59 1.86 -8.05 0.2 0
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45478 10514035 1 ON3H11C14 AB3C11D14 60.64 7.75 -8.46 -0.92 0
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45479 10514041 1 O2N3C12H19 A2B3C12D19 -61.84 6.36 -9.11 -0.41 0
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45480 10514044 1 NSO2C12H15 ABC2D12E15 -49.08 4.32 -8.97 -0.52 0
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45481 10514045 1 OSN3C11H15 ABC3D11E15 45.53 5.0 -8.61 -0.87 0
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45482 10514049 1 ClNOF3H7C9 ABCD3E7F9 -200.48 7.56 -9.68 -0.9 0
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45483 10514060 1 O5C12H14 A5B12C14 -218.26 5.24 -10.67 0.02 0
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45484 10514062 1 O5C12H14 A5B12C14 -190.22 5.13 -9.91 -1.04 0
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45485 10514075 1 PO4C10H23 AB4C10D23 -278.59 3.73 -10.04 1.21 0
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45486 10514101 1 O3C14H22 A3B14C22 -125.58 2.67 -8.54 0.38 0
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45487 10514107 1 SO2C13H18 AB2C13D18 -82.22 1.78 -8.62 0.01 0
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45488 10514110 1 O2C15H26 A2B15C26 -133.39 3.19 -9.13 1.48 0
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45489 10514113 2 C9H11 A9B11 26.93 0.61 -8.76 -0.32 0
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45490 10514132 1 BrN4H7C8 AB4C7D8 104.67 5.32 -9.6 -0.96 0
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45491 10514142 1 O3N5C9H13 A3B5C9D13 -88.1 4.78 -10.14 -0.88 0
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45492 10514146 1 NO4C12H17 AB4C12D17 -161.28 3.57 -9.77 0.72 0
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45493 10514169 1 ClNO3H10C11 ABC3D10E11 -72.01 3.62 -9.54 -1.15 0
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45494 10514177 1 OF3H11C13 AB3C11D13 -148.11 7.17 -9.29 -1.53 0
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45495 10514180 1 SN4C5O5H12 AB4C5D5E12 -180.65 7.18 -9.17 -0.49 0
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45496 10514185 1 N2O4C11H16 A2B4C11D16 -163.68 5.08 -9.74 -0.69 0
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45497 10514186 2 NOH6C7 ABC6D7 -18.03 4.79 -8.94 -0.47 0
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45498 10514198 2 OC8H8 AB8C8 -43.34 1.46 -8.51 -0.12 0
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45499 10514201 2 OC8H8 AB8C8 -59.15 0.77 -9.18 -0.86 0
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45500 10514228 1 ClN2O2F3H4C7 AB2C2D3E4F7 -223.46 2.5 -10.02 -1.13 0
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45501 10514236 1 BrOC11H13 ABC11D13 -11.76 2.47 -8.94 0.01 0
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45502 10514239 1 O4N5C8H11 A4B5C8D11 -91.7 4.68 -10.21 -0.77 0
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45503 10514257 1 NO2C15H15 AB2C15D15 3.81 3.0 -8.84 -0.17 0
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45504 10514260 1 SO2N3C10H15 AB2C3D10E15 -67.02 6.93 -8.95 -0.83 0
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45505 10514274 1 NSiO2C12H23 ABC2D12E23 -129.67 4.23 -9.11 -0.36 0
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45506 10514280 1 ClN3C12H20 AB3C12D20 -25.83 4.23 -8.53 0.29 0
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45507 10514282 1 O3C6F6H8 A3B6C6D8 -467.08 1.48 -10.7 -0.16 0
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45508 10514284 1 N2O6C9H10 A2B6C9D10 -257.07 3.7 -11.15 -0.73 0
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45509 10514300 2 NOC7H7 ABC7D7 -36.15 3.49 -9.39 -0.42 0
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45510 10514322 1 O3C14H26 A3B14C26 -145.8 0.63 -9.17 1.47 0
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45511 10514323 1 O3C14H26 A3B14C26 -156.6 1.78 -9.82 0.69 0
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45512 10514350 1 N3O6C8H9 A3B6C8D9 -118.04 5.44 -10.78 -1.76 0
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45513 10514364 1 NO3H13C14 AB3C13D14 -79.67 3.5 -9.79 -0.23 0
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45514 10514408 1 FN2O4C10H13 AB2C4D10E13 -202.09 5.0 -9.96 -0.91 0
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45515 10514422 1 SO5C10H12 AB5C10D12 -176.11 4.53 -9.7 -1.03 0
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45516 10514433 2 NOC7H8 ABC7D8 -44.89 6.9 -9.16 -0.34 0
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45517 10514434 2 NOC7H8 ABC7D8 -48.7 1.95 -9.79 -0.29 0
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45518 10514447 2 OC8H10 AB8C10 -78.29 4.72 -9.21 -0.38 0
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45519 10514449 2 OC8H10 AB8C10 -58.58 1.31 -9.23 0.06 1