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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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424392 135122521 1 N3O3C18H29 A3B3C18D29 -120.7 3.33 -9.52 -0.49 0
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424393 135122522 1 N2O3H12C13 A2B3C12D13 -78.86 9.91 -8.59 -1.58 0
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424394 135122527 1 FNO3C15H22 ABC3D15E22 -164.05 4.37 -9.36 0.34 0
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424395 135122530 2 N2O3C15H20 A2B3C15D20 -226.75 7.98 -9.46 -1.13 0
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424396 135122534 1 ClOSN4F5H6C15 ABCD4E5F6G15 -185.78 7.81 -9.54 -2.01 0
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424397 135122546 1 N5O5C29H39 A5B5C29D39 -162.07 4.75 -9.36 -1.02 0
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424398 135122547 1 OSF3N6C26H27 ABC3D6E26F27 -70.05 3.19 -8.71 -0.96 0
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424399 135122548 1 OF3N4H11C12 AB3C4D11E12 -127.34 4.3 -8.39 -0.56 0
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424400 135122549 4 NOC6H7 ABC6D7 -87.5 6.83 -9.54 -1.32 0
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424401 135122550 1 NO4C12H13 AB4C12D13 -136.07 5.04 -9.69 -0.94 0
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424402 135122561 1 F3N3O4C18H22 A3B3C4D18E22 -261.09 3.09 -8.75 -0.67 0
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424403 135122566 1 ClO3N5C25H30 AB3C5D25E30 -83.14 4.02 -8.22 -1.07 0
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424404 135122567 1 ClO3N5C25H30 AB3C5D25E30 -83.4 4.45 -8.29 -1.06 0
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424405 135122575 2 O3C8H8 A3B8C8 -191.61 4.56 -9.03 -0.69 0
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424406 135122577 2 NOC11H14 ABC11D14 -33.42 4.32 -8.8 0.24 0
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424407 135122579 1 N2O3C17H26 A2B3C17D26 -127.98 6.86 -9.65 -0.03 0
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424408 135122582 1 N5O8C36H45 A5B8C36D45 -269.35 3.42 -9.6 -1.11 0
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424409 135122583 1 N4O5C26H34 A4B5C26D34 -167.21 3.08 -9.49 -1.06 0
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424410 135122586 1 N5O6C30H39 A5B6C30D39 -223.51 6.69 -9.52 -1.27 0
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424411 135122588 1 N4O5C27H36 A4B5C27D36 -189.78 4.91 -9.52 -1.1 0
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424412 135122595 1 NOP2C15H35 ABC2D15E35 -106.37 1.86 -8.58 2.05 0
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424413 135122596 1 SO2F3N7C25H26 AB2C3D7E25F26 -99.3 2.24 -8.58 -1.02 0
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424414 135122597 1 N11O15C71H91 A11B15C71D91 -540.14 11.71 -8.86 -1.26 0
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424415 135122602 1 SF3N4C21H23 AB3C4D21E23 -93.26 5.72 -8.61 -0.8 0
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424416 135122603 1 N3O4C23H29 A3B4C23D29 -134.52 6.56 -9.45 -0.84 0
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424417 135122614 1 N4O6C49H72 A4B6C49D72 -309.34 2.02 -8.57 0.03 0
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424418 135122615 1 O2N3C11H15 A2B3C11D15 -53.64 2.72 -9.86 -0.25 0
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424419 135122625 1 Cl2O3N5H19C20 A2B3C5D19E20 -32.46 6.81 -8.79 -1.16 0
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424420 135122627 1 OCl2N4C12H16 AB2C4D12E16 -22.17 6.18 -8.85 -0.58 0
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424421 135122629 2 NF3O3C8H10 AB3C3D8E10 -542.85 5.48 -8.51 -0.91 0
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424422 135122630 2 NOC6H9 ABC6D9 -59.01 2.22 -8.59 -0.63 0
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424423 135122631 1 NO3C9H13 AB3C9D13 -109.67 2.29 -10.2 -0.55 0
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424424 135122633 1 ON3F4H7C10 AB3C4D7E10 -174.61 1.72 -9.29 -0.84 0
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424425 135122634 1 N3O5C24H29 A3B5C24D29 -160.9 5.34 -9.59 -1.49 0
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424426 135122635 1 SO4C15H20 AB4C15D20 -162.62 5.58 -10.41 -1.23 0
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424427 135122638 1 N2O4C13H14 A2B4C13D14 -118.92 5.4 -8.2 -0.78 0
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424428 135122653 1 SN4O4C20H26 AB4C4D20E26 -113.71 5.86 -9.47 -1.51 0
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424429 135122654 1 N4O5C19H24 A4B5C19D24 -149.28 7.43 -9.48 -1.13 0
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424430 135122655 1 N4O5C24H36 A4B5C24D36 -223.15 5.97 -9.48 0.18 0
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424431 135122663 1 SN4O4C21H28 AB4C4D21E28 -119.61 5.82 -9.49 -1.23 0
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424432 135122666 1 SO2F3N5H28C29 AB2C3D5E28F29 -111.09 1.07 -8.72 -0.92 0
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424433 135122670 1 OC3N4H8 AB3C4D8 -19.71 3.05 -10.09 -0.47 0
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424434 135122675 1 ClO4N6H19C21 AB4C6D19E21 -46.15 4.98 -9.1 -1.68 0
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424435 135122677 1 ClO7N8C32H43 AB7C8D32E43 -261.54 2.04 -8.47 -0.97 0
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424436 135122681 1 OSN4H6F8C16 ABC4D6E8F16 -328.15 5.39 -9.9 -1.8 0
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424437 135122687 1 N3O5C24H37 A3B5C24D37 -228.46 4.41 -9.46 0.17 0
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424438 135122689 1 SO2F3N6H25C27 AB2C3D6E25F27 -102.44 3.99 -8.8 -1.01 0
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424439 135122691 1 SF3O3N7H26C27 AB3C3D7E26F27 -135.0 3.14 -9.18 -0.96 0
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424440 135122695 1 N4O5C24H34 A4B5C24D34 -167.57 5.7 -9.49 -0.77 0
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424441 135122697 1 FNO2C13H16 ABC2D13E16 -92.38 1.37 -9.39 0.31 0
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424442 135122700 1 NO5C15H27 AB5C15D27 -177.67 3.74 -9.39 0.16 0
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424443 135122701 1 N2O3C14H20 A2B3C14D20 -135.86 3.51 -9.68 -0.15 0
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424444 135122702 1 N3O3C17H27 A3B3C17D27 -128.21 6.09 -9.54 0.1 0
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424445 135122703 1 O2F3N3C11H12 A2B3C3D11E12 -174.32 3.33 -9.49 -0.89 0
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424446 135122704 1 NO5C14H17 AB5C14D17 -168.14 4.82 -9.53 -0.53 0
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424447 135122706 1 SF3N4O5C30H37 AB3C4D5E30F37 -315.34 6.36 -9.41 -1.06 0
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424448 135122711 1 SO2F3N6C29H29 AB2C3D6E29F29 -111.16 4.17 -8.74 -0.86 1
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424449 135122713 1 ClSN3O3H11C13 ABC3D3E11F13 -28.19 2.28 0.0 0.0 0
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424450 135122714 1 SO2F3N6C29H29 AB2C3D6E29F29 -110.36 4.67 -8.78 -0.89 0
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424451 135122716 1 ClO3N7C24H30 AB3C7D24E30 -59.25 6.7 -8.5 -1.02 0
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424452 135122718 1 OSF3N6C25H25 ABC3D6E25F25 -62.7 4.75 -8.58 -1.3 0
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424453 135122721 1 NSO2C8H11 ABC2D8E11 -67.21 1.53 -9.74 -0.87 0
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424454 135122723 1 SO2C9H16 AB2C9D16 -115.25 2.9 -8.54 0.68 0
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424455 135122725 1 N3O5C14H15 A3B5C14D15 -96.0 5.65 -9.41 -1.65 0
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424456 135122728 1 ON2C13H18 AB2C13D18 -16.89 4.43 -8.49 0.08 0
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424457 135122732 1 O2F3N3C19H20 A2B3C3D19E20 -157.37 5.05 -8.61 -0.57 0
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424458 135122746 1 FON2C11H17 ABC2D11E17 -76.25 2.49 -9.2 -0.53 0
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424459 135122748 1 SN4O7C29H36 AB4C7D29E36 -183.51 11.9 -9.14 -0.66 0
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424460 135122751 1 N2F3O3C17H17 A2B3C3D17E17 -220.7 5.65 -8.75 -0.72 0
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424461 135122767 1 BrOF3N3H11C13 ABC3D3E11F13 -138.71 3.59 -8.93 -0.81 0
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424462 135122770 1 N2O2F3C15H15 A2B2C3D15E15 -202.19 3.37 -8.37 -0.55 0
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424463 135122772 5 OC5H6 AB5C6 -140.42 0.62 -8.69 0.05 0
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424464 135122774 1 ClO3F6N6H23C24 AB3C6D6E23F24 -380.32 4.79 -8.87 -1.18 0
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424465 135122775 1 ClF3N4O5H16C19 AB3C4D5E16F19 -254.32 2.19 -8.84 -0.74 0
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424466 135122777 1 ClO3F6N6H23C24 AB3C6D6E23F24 -380.12 4.13 -8.8 -1.22 0