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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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11430 115421 2 NO2C12H15 AB2C12D15 -125.41 2.6 -8.27 -0.49 0
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11431 115425 1 NO2C24H25 AB2C24D25 -8.97 3.05 -8.72 -0.36 0
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11432 115446 1 N2O2C23H28 A2B2C23D28 -37.56 1.62 -8.26 0.0 0
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11433 115457 1 ClSN4O4C27H29 ABC4D4E27F29 -73.1 3.42 -8.9 -0.99 0
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11434 115508 1 SN2O2C12H18 AB2C2D12E18 -92.79 1.84 -9.96 -1.04 0
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11435 115531 1 NaN2O3C13H19 AB2C3D13E19 -202.66 8.07 -9.53 0.04 0
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11436 115535 1 NaN2O3C12H17 AB2C3D12E17 -197.58 8.12 -9.51 0.03 0
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11437 115558 1 N2O3C12H18 A2B3C12D18 -164.47 2.31 -10.84 -0.56 0
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11438 115568 1 NaN2O3C12H17 AB2C3D12E17 -197.44 8.47 -9.56 0.04 0
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11439 115578 1 NaN2O3C12H17 AB2C3D12E17 -197.86 8.18 -9.54 0.04 0
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11440 115592 1 NaSN2O2C13H19 ABC2D2E13F19 -131.95 11.29 -8.94 -0.1 0
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11441 115595 1 N2O3C13H20 A2B3C13D20 -168.11 2.58 -10.96 -0.62 0
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11442 115613 3 OC4H6 AB4C6 -128.96 2.68 -8.96 0.24 0
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11443 115631 1 O3C11H16 A3B11C16 -127.05 2.19 -8.87 0.21 0
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11444 115638 1 N2O2C21H24 A2B2C21D24 -41.46 3.27 -9.03 0.11 0
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11445 115652 1 NO2C13H19 AB2C13D19 -59.3 1.9 -8.02 0.41 0
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11446 115686 1 NO11C26H31 AB11C26D31 -423.29 4.19 -8.88 -0.4 0
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11447 115702 1 ClNS2H16C17 ABC2D16E17 59.03 1.93 -9.02 -0.51 0
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11448 115706 1 ClN6C10H23 AB6C10D23 1.07 9.09 -9.56 -0.1 0
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11449 115713 1 NO2C23H45 AB2C23D45 -175.46 3.05 -8.5 0.91 0
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11450 115722 1 SN2O5C7H14 AB2C5D7E14 -214.99 4.88 -9.53 -0.56 0
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11451 115723 1 N3O3C16H19 A3B3C16D19 -94.07 4.78 -9.13 -0.66 0
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11452 115728 1 NNaO3C8H12 ABC3D8E12 -170.96 13.2 -9.16 -0.12 0
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11453 115828 1 O3C44H82 A3B44C82 -286.52 6.04 -9.67 -0.3 0
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11454 115830 1 OC15H26 AB15C26 -68.31 2.44 -9.72 3.15 0
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11455 115861 1 NOC16H17 ABC16D17 2.09 2.98 -8.88 -0.28 0
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11456 115867 2 N2C15H16 A2B15C16 135.68 16.37 -5.22 -1.88 2
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11457 115870 1 NO2Cl3C4H4 AB2C3D4E4 -109.77 0.49 -11.07 -1.21 0
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11458 115873 1 ClS2N3O5C8H8 AB2C3D5E8F8 -119.25 9.35 -10.0 -1.56 0
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11459 115883 2 OCl2C3H5 AB2C3D5 -138.52 0.33 -10.87 -0.76 0
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11460 115889 1 Cl3O3C11H13 A3B3C11D13 -136.03 4.07 -9.74 -0.71 0
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11461 115900 1 ClNO2C6H14 ABC2D6E14 -94.1 14.86 -7.92 -0.87 0
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11462 115903 1 N2O2C13H21 A2B2C13D21 -45.91 1.65 0.0 0.0 1
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11463 115916 2 ClNOC11H17 ABCD11E17 -46.7 6.42 -7.7 -0.46 0
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11464 115920 1 Cl2S2N4C11H16 A2B2C4D11E16 -0.91 5.81 -8.41 -0.87 0
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11465 115922 1 NOCl2C13H21 ABC2D13E21 -77.72 6.56 -8.87 0.25 0
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11466 115923 1 ClNOC13H20 ABCD13E20 -40.45 2.62 -8.89 0.22 0
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11467 115941 1 N2C20H27 A2B20C27 69.36 1.87 0.0 0.0 1
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11468 115962 1 SN2O2C23H28 AB2C2D23E28 -28.93 4.3 -8.37 -0.31 0
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11469 115965 1 ClN3O3C7H14 AB3C3D7E14 -164.29 4.29 -10.06 0.07 0
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11470 115969 1 NOCl2C6H13 ABC2D6E13 -34.81 4.3 -9.65 0.02 0
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11471 115972 1 NO2C21H29 AB2C21D29 -46.94 1.32 -8.71 0.16 0
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11472 115986 1 ClON5C14H20 ABC5D14E20 -12.82 6.0 -8.85 -0.48 0
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11473 115999 1 ClN7C19H40 AB7C19D40 56.44 21.42 -7.84 -0.65 2
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11474 116004 1 ON5C10H19 AB5C10D19 -24.25 2.1 -9.73 0.13 0
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11475 116025 1 S3O4H14C16 A3B4C14D16 -52.55 3.98 -8.32 -0.92 0
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11476 116033 1 I2N3C17H19 A2B3C17D19 106.26 1.2 -8.42 -1.34 0
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11477 116037 1 SN2C11H14 AB2C11D14 24.48 2.07 -9.09 -0.26 0
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11478 116038 1 CuN2C4O4H8 AB2C4D4E8 -93.75 5.53 0.0 0.0 -2
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11479 116052 1 N2O3S4H16C17 A2B3C4D16E17 -43.54 4.8 -8.7 -0.65 0
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11480 116069 1 NSP2O8C9H13 ABC2D8E9F13 -369.4 6.12 -10.04 -1.31 0
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11481 116094 1 N2O2C9H18 A2B2C9D18 -102.24 2.79 -8.9 0.74 0
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11482 116098 1 ClN2O2C10H21 AB2C2D10E21 -145.58 1.93 -8.91 0.56 0
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11483 116149 1 ClN2O2C19H23 AB2C2D19E23 -31.57 3.21 -8.3 0.11 0
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11484 116153 1 SnCl2C18H38 AB2C18D38 -145.89 4.34 -10.27 -1.06 0
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11485 116154 1 ClN2O5C24H33 AB2C5D24E33 -184.02 5.63 -8.14 -0.85 0
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11486 116174 2 ClNC13H18 ABC13D18 -53.33 7.14 -8.7 0.11 0
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11487 116177 2 NC14H25 AB14C25 -36.08 2.22 -8.56 1.32 0
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11488 116234 1 NCl3C8H18 AB3C8D18 -81.82 2.27 -9.37 0.46 0
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11489 116265 1 SN2C9H14 AB2C9D14 17.97 4.05 -8.56 0.07 0
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11490 116267 2 N2C9H15 A2B9C15 11.12 7.19 -8.9 0.8 0
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11491 116294 1 OSN3C7H15 ABC3D7E15 -27.53 2.0 -8.77 -0.27 0
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11492 116296 1 NO5H31C32 AB5C31D32 -90.09 2.54 -9.24 -0.54 0
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11493 116311 1 NOS2C6H14 ABC2D6E14 -30.98 0.98 0.0 0.0 1
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11494 116313 2 NOC11H23 ABC11D23 -13.59 4.05 -3.05 -0.18 2
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11495 116314 1 I2N2O2C19H40 A2B2C2D19E40 -125.84 0.77 -7.6 -0.05 0
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11496 116315 1 N2O2C19H40 A2B2C19D40 16.01 0.11 -2.22 -1.09 2
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11497 116336 1 S2N4C13H28 A2B4C13D28 -12.51 2.31 -9.13 -0.02 0
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11498 116377 1 NNaO3C7H10 ABC3D7E10 -176.84 6.75 -9.26 0.02 0
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11499 116399 1 ClNSC21H22 ABCD21E22 35.8 2.32 -8.43 -0.54 0
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11500 116405 1 S2N3C8H13 A2B3C8D13 64.56 3.79 -9.42 -0.58 0
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11501 116425 2 O2C6H9 A2B6C9 -167.1 2.75 -8.63 0.25 0
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11502 116488 3 OC4H6 AB4C6 -111.22 3.59 -8.7 0.48 0
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11503 116509 1 S2N4O5C8H12 A2B4C5D8E12 -91.53 6.7 -9.71 -1.43 0
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11504 116555 2 O2C11H22 A2B11C22 -272.56 1.06 -10.29 0.62 0
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11505 116605 1 SN2O4H7C9F13 AB2C4D7E9F13 -779.96 6.29 -10.19 -1.32 0
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11506 116614 1 NOSC19H19 ABCD19E19 20.84 2.92 -9.65 -1.22 0
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11507 116681 1 NNa2O5C7H7 AB2C5D7E7 -292.02 9.4 -8.71 0.24 0
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11508 116755 1 MgC12H26 AB12C26 -53.91 0.19 -8.09 1.97 0
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11509 116773 1 ClON2C15H15 ABC2D15E15 6.06 6.94 -8.66 -0.16 0
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11510 116811 1 OSiC8H14 ABC8D14 -43.68 2.02 -9.5 0.4 0
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11511 116816 1 SO2N5C14H17 AB2C5D14E17 80.55 13.46 -8.57 -1.63 0
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11512 116832 2 NOC19H19 ABC19D19 -10.26 3.16 -7.78 -1.5 0
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11513 116996 1 ClNH16C20 ABC16D20 58.2 2.49 -8.47 -0.54 0
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11514 117087 1 O2N4C41H68 A2B4C41D68 -165.53 3.46 -8.97 -0.25 0
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11515 117097 2 NP2C3O6H9 AB2C3D6E9 -748.76 4.25 -9.48 0.27 0
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11516 117114 2 NO2C12H13 AB2C12D13 -124.04 3.13 -8.4 -0.14 0
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11517 117125 1 SO4N5H13C18 AB4C5D13E18 58.64 18.49 -8.98 -3.07 0
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11518 117141 1 KNSO3C10H14 ABCD3E10F14 -152.89 11.78 -8.3 0.19 0
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11519 117158 1 NOC9H9 ABC9D9 -16.0 4.41 -8.69 -0.38 0
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11520 117168 4 OC4H7 AB4C7 -223.29 5.7 -10.13 -0.27 0
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11521 117187 1 NO3C12H25 AB3C12D25 -181.68 2.64 -10.2 0.63 0
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11522 117189 2 NO2C4H8 AB2C4D8 -197.47 2.94 -10.19 0.68 0
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11523 117231 1 O5C21H30 A5B21C30 -225.91 2.71 -9.23 -0.7 0
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11524 117232 2 NO2C5H10 AB2C5D10 -212.4 1.02 -9.95 0.8 0
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11525 117258 2 NOC7H10 ABC7D10 -91.3 3.58 -8.38 0.04 0
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11526 117260 2 NO2C6H12 AB2C6D12 -211.8 3.75 -9.74 0.77 0
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11527 117262 1 N2O4C11H22 A2B4C11D22 -208.05 4.83 -9.79 0.67 0
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11528 117271 1 O6C13H20 A6B13C20 -216.54 4.63 -10.44 0.43 0
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11529 117273 1 O3C12F16 A3B12C16 -850.99 0.86 -11.06 -2.05 0