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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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86429 49885437 1 SO3N4C26H30 AB3C4D26E30 -27.83 2.62 -8.78 -0.26 0
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86430 49885456 1 S2N4O7C25H26 A2B4C7D25E26 -186.89 4.42 -9.12 -1.29 0
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86431 49885462 1 SN4O4C23H24 AB4C4D23E24 -58.52 6.6 -8.73 -0.89 0
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86432 49885468 1 SN3O3C23H23 AB3C3D23E23 -5.35 2.82 -8.78 -0.75 0
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86433 49885481 1 SO3N4H22C24 AB3C4D22E24 19.53 3.35 -8.76 -0.72 0
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86434 49885482 1 SN3O3C24H25 AB3C3D24E25 -13.6 3.41 -8.77 -0.69 0
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86435 49885484 1 SN3O4C23H25 AB3C4D23E25 -39.14 5.07 -8.42 -0.15 0
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86436 49885485 1 SN3O3C25H29 AB3C3D25E29 -22.51 5.99 -8.54 0.02 0
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86437 49885500 1 SN3O3C24H27 AB3C3D24E27 -22.74 4.24 -8.77 -0.12 0
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86438 49885554 1 SO3N4C20H26 AB3C4D20E26 -52.85 4.42 -8.99 -0.6 0
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86439 49885556 1 ClSO3N4C24H25 ABC3D4E24F25 -24.79 3.12 -8.88 -0.85 0
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86440 49885557 1 S2O3N5C25H25 A2B3C5D25E25 14.48 8.25 -9.07 -0.89 0
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86441 49885580 1 SF3O3N4C25H25 AB3C3D4E25F25 -176.21 5.77 -9.05 -0.77 0
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86442 49885581 1 SCl2O3N4C24H24 AB2C3D4E24F24 -31.32 4.6 -8.86 -1.05 0
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86443 49885584 1 S2O3N6C24H30 A2B3C6D24E30 -5.89 0.82 -8.91 -0.97 0
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86444 49885587 1 S2O3N4H26C28 A2B3C4D26E28 25.21 4.41 -8.59 -0.68 0
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86445 49885588 1 S2N4O5H28C29 A2B4C5D28E29 -76.87 3.67 -8.7 -1.09 -1
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86446 49885628 1 ClNO2C23H41 ABC2D23E41 -105.88 4.68 0.0 0.0 0
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86447 49885643 1 ClSO3N4H27C28 ABC3D4E27F28 -20.42 6.56 -8.75 -0.98 0
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86448 49885651 1 S2N5O5H25C26 A2B5C5D25E26 -74.72 3.76 -8.8 -0.9 0
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86449 49885652 1 SN3O3C27H27 AB3C3D27E27 5.01 4.28 -8.7 -0.58 0
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86450 49885711 1 SN4O5C28H28 AB4C5D28E28 -74.43 7.87 -8.41 -0.65 0
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86451 49885723 1 SO3N7H23C25 AB3C7D23E25 58.21 10.53 -8.8 -1.04 0
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86452 49885725 1 ClSO3N4H21C25 ABC3D4E21F25 3.72 4.92 -8.91 -1.1 0
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86453 49885726 1 ClSO3N4H23C26 ABC3D4E23F26 -9.78 5.76 -8.89 -1.04 0
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86454 49885776 1 SO3N4H22C27 AB3C4D22E27 33.21 3.81 -8.75 -0.92 0
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86455 49885792 1 SO4N5H25C27 AB4C5D25E27 -38.4 4.2 -8.44 -1.08 0
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86456 49885793 1 SN4O4C28H28 AB4C4D28E28 -39.93 2.34 -8.55 -0.9 0
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86457 49885815 1 ClSN4O4H23C26 ABC4D4E23F26 -36.52 1.69 -8.79 -0.73 0
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86458 49885816 1 S2O3N5H21C23 A2B3C5D21E23 22.75 6.0 -8.93 -1.08 0
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86459 49885825 1 SN3O3H23C25 AB3C3D23E25 17.38 4.89 -8.87 -0.8 0
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86460 49885829 1 SO4N6H28C30 AB4C6D28E30 7.9 5.79 -8.8 -1.1 0
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86461 49885830 1 ClSN3O3H22C25 ABC3D3E22F25 5.25 7.29 -8.81 -0.89 0
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86462 49885840 1 ClSN3O3H24C26 ABC3D3E24F26 -1.33 4.6 -8.84 -0.95 0
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86463 49885846 1 SN4O5C28H28 AB4C5D28E28 -72.95 2.7 -8.12 -0.9 0
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86464 49885851 1 OS2N4C21H24 AB2C4D21E24 35.99 4.6 -8.95 -0.81 0
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86465 49885887 1 OCl2S2N4C20H20 AB2C2D4E20F20 28.29 5.37 -8.88 -0.84 0
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86466 49885914 1 OS2N4C19H20 AB2C4D19E20 54.94 4.08 -8.98 -0.6 0
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86467 49885953 1 ClSO3N4H27C28 ABC3D4E27F28 -18.24 6.67 -8.76 -1.0 0
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86468 49885954 1 S2N3H19C21 A2B3C19D21 115.51 5.62 -8.73 -0.69 0
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86469 49885955 1 ClFS2N3H15C17 ABC2D3E15F17 43.13 5.69 -8.72 -0.74 0
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86470 49885956 1 S2O3N4H20C26 A2B3C4D20E26 21.17 10.27 -9.12 -1.42 0
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86471 49885968 1 S2N3C18H19 A2B3C18D19 88.03 3.08 -8.72 -0.47 0
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86472 49885971 2 OSN2C10H10 ABC2D10E10 13.53 6.0 -8.83 -0.69 0
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86473 49885980 1 Cl2S2N3H15C17 A2B2C3D15E17 81.1 4.87 -9.07 -0.78 0
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86474 49885984 1 OS2N4C21H24 AB2C4D21E24 39.97 5.59 -9.12 -0.83 0
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86475 49885994 1 OS2N4C20H22 AB2C4D20E22 47.18 8.11 -9.21 -0.86 0
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86476 49886010 1 S2O3N4C21H22 A2B3C4D21E22 -39.43 7.82 -9.07 -0.88 0
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86477 49886011 1 S2O3N4C21H22 A2B3C4D21E22 -34.78 11.38 -9.11 -0.97 0
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86478 49886018 1 Cl2S2N3H15C17 A2B2C3D15E17 80.47 6.43 -8.86 -0.82 0
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86479 49886028 1 S2N3H21C23 A2B3C21D23 124.1 5.77 -8.86 -0.62 0
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86480 49886033 1 OS2N4C23H28 AB2C4D23E28 19.38 4.66 -8.44 -0.65 0
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86481 49886043 1 OS2F3N4C22H23 AB2C3D4E22F23 -121.25 3.08 -8.79 -0.56 0
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86482 49886044 1 OCl2S2N4C21H22 AB2C2D4E21F22 24.95 9.9 -8.79 -0.97 0
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86483 49886045 1 O3S3N5C21H25 A3B3C5D21E25 -35.12 7.5 -8.92 -0.93 0
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86484 49886051 1 S2O3N4C22H26 A2B3C4D22E26 -35.83 4.3 -8.56 -0.55 0
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86485 49886053 1 O3S3N4C25H30 A3B3C4D25E30 -66.09 6.49 -8.76 -0.82 0
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86486 49886059 1 O3S3N5C22H27 A3B3C5D22E27 -38.04 12.1 -9.2 -0.82 0
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86487 49886086 1 ClOS2N4C21H23 ABC2D4E21F23 27.37 4.94 -9.06 -0.84 0
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86488 49886091 1 ClOS2N4C21H23 ABC2D4E21F23 26.9 4.09 -8.89 -0.83 0
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86489 49886094 1 ClOS2N4C22H25 ABC2D4E22F25 16.06 7.34 -8.66 -0.66 0
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86490 49886098 1 ClO2S2N4C22H25 AB2C2D4E22F25 -10.25 8.69 -8.22 -0.68 0
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86491 49886113 1 S2O3N4C24H28 A2B3C4D24E28 -54.87 7.03 -8.85 -0.71 -1
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86492 49886120 1 ClN2O4C27H34 AB2C4D27E34 -129.26 6.18 0.0 0.0 -1
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86493 49886123 1 ClN3O4C27H35 AB3C4D27E35 -103.94 3.58 0.0 0.0 -1
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86494 49886138 1 ClO2N3C14H17 AB2C3D14E17 13.73 20.24 0.0 0.0 0
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86495 49886248 1 BrSF2N3O3C9H10 ABC2D3E3F9G10 -170.09 3.78 -9.98 -1.06 0
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86496 49886254 1 NO2F6H7C10 AB2C6D7E10 -382.82 4.72 -10.02 -1.56 0
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86497 49886256 1 FNO2C9H10 ABC2D9E10 -116.81 4.29 -9.13 -0.36 0
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86498 49886258 1 NSF2O4C11H13 ABC2D4E11F13 -240.13 3.58 -9.78 -0.58 0
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86499 49886266 1 NSF2O4C10H11 ABC2D4E10F11 -245.02 8.55 -9.67 -0.99 0
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86500 49886274 1 NSO4F6C13H13 ABC4D6E13F13 -470.03 5.57 -9.98 -1.28 0
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86501 49886295 1 NSCl2O4C10H11 ABC2D4E10F11 -162.91 7.23 -9.75 -0.89 0
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86502 49886311 1 BrFSN3O3C9H11 ABCD3E3F9G11 -144.12 3.58 -9.15 -0.62 0
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86503 49886313 1 NSO4C13H19 ABC4D13E19 -164.31 5.25 -9.54 -0.12 0
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86504 49886322 1 FINSO4C12H15 ABCDE4F12G15 -188.25 5.53 -9.48 -1.13 0
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86505 49886348 1 BrNSF2O4C12H14 ABCD2E4F12G14 -247.12 3.78 -9.76 -0.84 0
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86506 49886406 1 ClFNSO4C11H13 ABCDE4F11G13 -205.38 3.26 -9.78 -0.77 0
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86507 49886414 1 ClFNSO4C10H11 ABCDE4F10G11 -198.01 3.27 -9.72 -0.68 0
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86508 49886416 1 ClFNSO4C11H13 ABCDE4F11G13 -206.49 4.42 -9.73 -0.64 0
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86509 49886430 1 N2O2C13H14 A2B2C13D14 -24.27 5.44 -8.93 -0.54 0
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86510 49886431 1 N2O2C13H14 A2B2C13D14 -20.32 8.17 -9.08 -0.83 0
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86511 49886446 1 BrON2H9C11 ABC2D9E11 29.62 5.46 -9.81 -1.09 0
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86512 49886447 1 BrNO3H10C11 ABC3D10E11 -62.32 7.2 -9.35 -0.84 0
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86513 49886456 1 NO3C13H15 AB3C13D15 -76.5 3.24 -8.72 -0.83 0
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86514 49886469 1 ON3C12H15 AB3C12D15 14.2 4.49 -8.43 -0.3 0
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86515 49886514 1 O5C13H14 A5B13C14 -184.32 6.45 -9.46 -1.27 0
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86516 49886515 1 ClO5H9C11 AB5C9D11 -165.01 8.0 -9.64 -1.34 0
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86517 49886532 1 FNSO4C13H18 ABCD4E13F18 -205.23 4.02 -9.29 -0.22 0
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86518 49886555 1 SF3N3O4C11H14 AB3C3D4E11F14 -289.91 5.43 -9.62 -0.76 0
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86519 49886570 2 O2H7C8 A2B7C8 -105.09 5.63 -9.53 -1.08 0
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86520 49886596 1 O3C12H16 A3B12C16 -118.68 3.7 -9.22 -0.13 0
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86521 49886605 1 NSO4C15H23 ABC4D15E23 -180.29 5.22 -8.61 0.01 0
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86522 49886606 1 NSF3O5C14H18 ABC3D5E14F18 -367.65 5.5 -9.41 -0.46 0
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86523 49886607 1 FNSO4C14H20 ABCD4E14F20 -219.92 4.51 -9.31 -0.14 0
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86524 49886609 1 NSO5C13H19 ABC5D13E19 -192.33 3.44 -8.94 -0.13 0
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86525 49886617 1 FNSO4C14H20 ABCD4E14F20 -221.0 5.31 -9.54 -0.14 0
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86526 49886628 1 SN3O3C10H15 AB3C3D10E15 -89.25 3.18 -9.12 -0.33 0
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86527 49886632 1 NSO4C14H21 ABC4D14E21 -173.68 4.87 -9.15 0.15 0
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86528 49886651 1 NSO4F6C14H15 ABC4D6E14F15 -478.37 5.55 -10.37 -1.3 0