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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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329422 126736546 1 O3N6C34H46 A3B6C34D46 -108.0 6.43 -8.36 -0.36 0
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329423 126736548 2 O2C12H15 A2B12C15 -182.34 4.46 -9.54 -0.54 0
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329424 126736581 1 N3O3C23H31 A3B3C23D31 -110.05 6.46 -9.18 -0.92 0
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329425 126736619 1 FN3O3C21H28 AB3C3D21E28 -150.47 4.07 -9.2 -0.74 0
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329426 126736633 3 NOC8H11 ABC8D11 -105.53 1.64 -8.91 -0.72 0
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329427 126736638 1 O3N4C25H34 A3B4C25D34 -77.43 8.63 -8.69 -0.32 0
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329428 126736664 1 O2N3C20H37 A2B3C20D37 -153.0 4.2 -9.24 1.21 0
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329429 126736669 1 ClN2O3C16H17 AB2C3D16E17 11.3 10.44 -8.38 -0.96 0
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329430 126736670 1 ClO10C29H41 AB10C29D41 -433.05 7.32 -9.62 -0.6 0
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329431 126736673 1 ClFO2N3C21H29 ABC2D3E21F29 -151.84 5.54 -9.2 -0.99 0
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329432 126736675 1 ClFN3O3C21H27 ABC3D3E21F27 -157.97 5.98 -9.41 -0.96 0
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329433 126736676 1 O2N4C25H36 A2B4C25D36 -91.16 5.89 -8.65 -0.23 0
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329434 126736677 1 ClFN3O3C21H27 ABC3D3E21F27 -159.13 2.83 -9.25 -1.05 0
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329435 126736680 1 ON2C19H30 AB2C19D30 -90.25 4.83 -9.24 1.38 0
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329436 126736690 1 ClFON2C15H18 ABCD2E15F18 3.38 4.1 -9.22 -0.88 0
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329437 126736702 1 O3N4C25H36 A3B4C25D36 -117.79 7.74 -8.81 -0.39 0
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329438 126736720 1 ClFN3O3C21H29 ABC3D3E21F29 -192.19 3.84 -9.21 -1.0 0
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329439 126736738 1 O2N4C21H32 A2B4C21D32 -94.53 0.58 -9.16 -0.62 0
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329440 126736740 1 ON3C14H27 AB3C14D27 -78.13 4.77 -9.02 1.48 0
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329441 126736746 1 ClO2N3F4C22H26 AB2C3D4E22F26 -181.14 9.68 -8.72 -1.16 0
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329442 126736749 1 O2F3N4C26H33 A2B3C4D26E33 -215.87 4.69 -8.38 0.05 0
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329443 126736758 1 ClFO2N3C22H31 ABC2D3E22F31 -145.51 6.33 -9.02 -0.92 0
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329444 126736772 1 NO4C12H21 AB4C12D21 -163.24 2.02 -9.99 -0.38 0
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329445 126736777 1 FO2N4C23H31 AB2C4D23E31 -127.1 9.33 -9.06 -0.66 0
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329446 126736795 1 N2O3C19H24 A2B3C19D24 -74.58 2.99 -8.35 -0.33 0
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329447 126736801 1 O2N4C25H36 A2B4C25D36 -88.71 4.03 -8.5 -0.08 0
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329448 126736815 1 NSO3C15H21 ABC3D15E21 -99.57 6.52 -8.25 0.05 0
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329449 126736860 1 F2S2O4N6C17H22 A2B2C4D6E17F22 -202.65 4.9 -7.88 -1.01 0
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329450 126736867 1 FN5O6C37H46 AB5C6D37E46 -224.13 8.47 -8.97 -0.07 0
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329451 126736868 1 ClN2F4O5C34H45 AB2C4D5E34F45 -451.93 3.67 -8.89 -0.8 0
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329452 126736870 1 Cl2N3F4O5C36H47 A2B3C4D5E36F47 -473.03 7.19 -8.78 -0.78 0
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329453 126736875 1 ClFN3O6C37H49 ABC3D6E37F49 -282.44 8.16 -8.61 -0.16 0
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329454 126736881 1 F4N4O5C38H46 A4B4C5D38E46 -371.37 2.78 -8.65 -0.8 0
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329455 126736913 2 ClF2N2O3C19H25 AB2C2D3E19F25 -508.87 8.88 -8.72 -0.58 0
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329456 126736915 1 SCl2F4O4N5C32H45 AB2C4D4E5F32G45 -415.21 5.35 -8.71 -0.77 0
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329457 126736949 2 N2O2C11H15 A2B2C11D15 -70.65 8.42 -7.86 -0.71 0
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329458 126736972 1 SN2O5C21H32 AB2C5D21E32 -188.31 9.16 -8.84 -0.43 0
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329459 126737022 1 O3N4C24H34 A3B4C24D34 -46.51 8.41 -7.84 -0.67 0
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329460 126737063 1 O3N4C25H30 A3B4C25D30 -18.83 3.99 -8.79 -1.01 0
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329461 126737067 1 O9C11H18 A9B11C18 -395.82 7.43 -10.73 -1.63 0
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329462 126737068 1 O10C13H22 A10B13C22 -446.97 7.46 -10.68 -0.89 1
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329463 126737082 1 O2N3C20H26 A2B3C20D26 1.85 4.19 0.0 0.0 0
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329464 126737099 2 FH2C4N4 AB2C4D4 101.47 6.4 -9.93 -1.72 -1
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329465 126737126 1 O2N3C20H26 A2B3C20D26 -8.42 5.82 0.0 0.0 0
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329466 126737129 1 O13C38H38 A13B38C38 -425.37 1.86 -9.03 -1.03 0
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329467 126737138 1 BrN2S2O5H13C15 AB2C2D5E13F15 -133.73 10.24 -9.86 -1.63 0
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329468 126737142 1 N2S2O5H14C15 A2B2C5D14E15 -142.88 5.08 -9.67 -1.16 0
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329469 126737149 1 SN2O6H14C15 AB2C6D14E15 -180.14 10.51 -9.82 -1.1 0
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329470 126737181 1 NO4C9H15 AB4C9D15 -189.99 7.15 -10.36 0.23 0
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329471 126737200 1 P2O9C111H114 A2B9C111D114 -200.33 10.88 -8.43 -0.27 0
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329472 126737205 1 N3C15H29 A3B15C29 -6.58 0.97 -9.96 0.3 0
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329473 126737212 1 N3C15H31 A3B15C31 -22.43 1.46 -8.98 0.77 0
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329474 126737220 1 N2C13H18 A2B13C18 24.55 4.86 -8.85 -0.39 0
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329475 126737235 1 N2O2C21H32 A2B2C21D32 -68.52 2.93 -8.19 0.38 0
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329476 126737258 1 N3O4C9H17 A3B4C9D17 -171.04 5.65 -9.58 -0.47 0
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329477 126737271 1 NO2C25H51 AB2C25D51 -199.15 3.26 -9.68 1.29 0
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329479 126737294 1 NO2C11H25 AB2C11D25 -114.4 1.4 -8.77 1.64 0
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329480 126737312 1 SF2O3N4H16C23 AB2C3D4E16F23 -81.94 8.08 -9.17 -1.42 0
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329481 126737318 1 SF2O4N5C32H37 AB2C4D5E32F37 -166.39 2.92 -8.61 -1.39 0
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329482 126737325 1 SF2O3N5C27H29 AB2C3D5E27F29 -144.89 8.54 -9.15 -1.52 0
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329483 126737344 1 SO3N6C20H20 AB3C6D20E20 6.96 1.34 -9.02 -1.76 0
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329485 126737409 1 ClO2N5C30H32 AB2C5D30E32 7.18 2.6 -8.69 -0.87 0
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329486 126737412 1 SF2O2N5C28H35 AB2C2D5E28F35 -106.98 4.21 -8.64 -1.57 0
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329487 126737419 1 SF2O4N5C19H21 AB2C4D5E19F21 -187.06 4.61 -8.69 -0.91 0
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329489 126737471 1 NOC11H21 ABC11D21 -83.75 4.22 -9.1 1.37 0
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329490 126737497 1 N4O5C22H32 A4B5C22D32 -162.85 11.15 -8.46 -1.08 0
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329491 126737499 1 O4N5C29H31 A4B5C29D31 -99.88 8.5 -8.52 -0.5 0
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329492 126737502 1 N4O5C23H34 A4B5C23D34 -160.83 7.8 -9.2 -1.19 0
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329493 126737507 1 SN4O6C19H24 AB4C6D19E24 -158.47 2.78 -8.62 -1.31 0
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329494 126737510 1 SN2C14H14 AB2C14D14 77.36 1.32 -8.59 -0.16 0
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329495 126737518 1 SF2O4N5C28H29 AB2C4D5E28F29 -141.13 4.95 -8.84 -1.56 0
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329496 126737530 1 NSC15H15 ABC15D15 67.43 0.2 -8.55 -0.12 0
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329497 126737545 1 BrS2N3O3C13H18 AB2C3D3E13F18 -106.11 4.57 -8.97 -0.79 0
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329498 126737583 1 SF2O3N5H25C30 AB2C3D5E25F30 -97.06 3.81 -8.66 -1.25 0
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329499 126737585 1 O3N4C23H36 A3B4C23D36 -148.62 4.75 -8.2 0.32 0
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329500 126737607 2 OC4H5 AB4C5 -25.15 1.96 -9.32 0.64 0
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329501 126737624 1 SN3F4O6H19C22 AB3C4D6E19F22 -355.33 2.05 -9.67 -1.42 0
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329502 126737633 2 OC6H10 AB6C10 -104.89 1.78 -9.49 0.98 0
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329503 126737644 1 SF4O4N5H19C20 AB4C4D5E19F20 -263.58 6.62 -8.67 -0.92 0
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329504 126737669 1 SN2O5H14C16 AB2C5D14E16 -132.99 8.32 -9.83 -1.36 0
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329505 126737672 1 ClN6O6C25H31 AB6C6D25E31 -165.64 5.43 -9.19 -0.84 0
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329506 126737674 1 FSN2O2C8H17 ABC2D2E8F17 -146.0 3.66 -8.87 0.04 0
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329507 126737693 1 NOH29C50 ABC29D50 185.23 1.26 -8.25 -1.0 0
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329508 126737698 1 NOSH21C31 ABCD21E31 103.94 2.2 -7.94 -0.74 0
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329509 126737708 1 OSN4H24C45 ABC4D24E45 229.39 3.01 -8.22 -1.48 0
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329510 126737717 1 SN4H28C48 AB4C28D48 263.12 4.9 -8.14 -1.02 0
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329511 126737720 1 SN2H24C44 AB2C24D44 233.06 1.48 -8.15 -1.07 0
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329512 126737735 1 NH25C35 AB25C35 136.84 3.25 -7.84 -0.7 0
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329513 126737736 1 SN3H27C48 AB3C27D48 324.38 1.85 -8.06 -0.93 0
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329514 126737738 1 NO5C16H23 AB5C16D23 -224.24 1.13 -9.02 -0.02 0
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329515 126737745 1 N3H31C47 A3B31C47 224.31 4.8 -7.97 -1.2 0
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329516 126737746 1 SN3H33C53 AB3C33D53 252.57 3.59 -7.99 -1.27 0
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329517 126737764 1 O2C9H14 A2B9C14 -56.15 3.02 -9.54 1.31 0
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329518 126737766 1 SF4O4N5C26H27 AB4C4D5E26F27 -289.9 5.84 -8.98 -1.2 0
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329519 126737767 1 SO4F5N5C26H26 AB4C5D5E26F26 -342.44 10.96 -9.14 -1.15 0
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329521 126737781 1 ClFSO4N5C25H27 ABCD4E5F25G27 -138.28 5.9 -8.97 -0.68 0
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329522 126737810 1 O3C31H48 A3B31C48 -139.49 2.97 -7.84 0.34 1
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329523 126737813 1 PN2S2O3C55H100 AB2C2D3E55F100 -290.99 1.67 0.0 0.0 1
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329524 126737817 1 PN2S2O3C53H112 AB2C2D3E53F112 -391.81 5.63 0.0 0.0 1
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329525 126737819 1 PN2S2O3C65H136 AB2C2D3E65F136 -457.61 4.32 0.0 0.0 0