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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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297423 117617201 1 NC24H25 AB24C25 108.84 1.45 -8.79 -0.33 0
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297424 117617214 1 NC23H27 AB23C27 68.18 1.88 -9.01 -0.21 0
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297425 117617223 1 ClFO3N8C30H32 ABC3D8E30F32 36.57 18.68 -7.42 -1.13 0
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297426 117617226 1 ClSN2F3O3H12C15 ABC2D3E3F12G15 -238.46 5.69 -9.36 -0.97 0
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297427 117617228 1 SN2O3F5H9C13 AB2C3D5E9F13 -321.21 10.4 -9.34 -1.28 0
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297428 117617247 1 F3O3C26H39 A3B3C26D39 -298.03 1.16 -8.51 -0.23 0
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297429 117617263 1 O3F8C37H46 A3B8C37D46 -518.01 6.27 -9.01 -0.51 0
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297430 117617277 1 F3O3C31H41 A3B3C31D41 -280.24 2.13 -8.7 -0.1 0
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297431 117617284 1 O3F8C25H26 A3B8C25D26 -498.55 4.99 -9.0 -0.66 0
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297432 117617285 1 O3F6C37H48 A3B6C37D48 -407.21 1.1 -8.98 -0.36 0
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297433 117617294 1 O2F3C25H35 A2B3C25D35 -245.08 2.66 -9.05 -0.07 0
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297434 117617331 2 OF2C13H18 AB2C13D18 -283.38 1.45 -8.97 -0.33 0
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297435 117617426 1 NOC12H27 ABC12D27 -80.18 2.61 -8.57 2.36 0
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297436 117617440 1 PN4O13C20H27 AB4C13D20E27 -596.58 6.0 -9.62 -0.95 0
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297437 117617467 1 SO3N4C19H30 AB3C4D19E30 -64.28 4.52 -8.72 -0.08 0
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297438 117617493 1 NO6C21H31 AB6C21D31 -285.5 2.57 -9.66 0.03 0
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297439 117617573 1 NCl2O5C21H25 AB2C5D21E25 -212.44 6.02 -9.35 -1.04 0
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297440 117617608 2 N2C8H13 A2B8C13 24.21 4.91 -8.45 -0.05 0
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297441 117617625 1 NO2C10H19 AB2C10D19 -93.64 1.33 -8.46 0.98 0
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297442 117617651 1 ClFON4H24C26 ABCD4E24F26 22.62 6.33 -8.9 -0.82 0
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297443 117617682 1 FO4N8C48H51 AB4C8D48E51 -82.9 5.91 -8.79 -0.83 0
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297444 117617712 2 NC3H6 AB3C6 20.4 2.37 -8.01 1.12 0
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297445 117617775 2 NC17H19 AB17C19 66.45 3.13 -8.08 0.18 0
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297446 117617813 1 O2N3C5H9 A2B3C5D9 -19.82 4.2 -9.96 0.02 0
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297447 117617859 1 NO3C17H17 AB3C17D17 31.35 4.29 -9.65 -1.22 0
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297448 117617876 1 O2N3H17C24 A2B3C17D24 38.79 3.2 -8.57 -1.04 0
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297449 117617882 1 FO2N3H22C25 AB2C3D22E25 -33.19 4.7 -8.66 -0.85 0
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297450 117618076 1 FO4N6H19C22 AB4C6D19E22 -78.74 5.68 -8.87 -1.2 0
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297451 117618164 1 FON5C22H22 ABC5D22E22 8.55 2.52 -8.78 -0.92 0
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297452 117618204 1 ClFO3N6C21H22 ABC3D6E21F22 -110.56 6.0 -8.75 -1.15 0
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297453 117618206 1 FO4N6H25C27 AB4C6D25E27 -87.47 5.3 -8.98 -1.09 0
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297454 117618237 1 OF2N6H20C23 AB2C6D20E23 -17.82 8.27 -8.82 -1.13 0
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297455 117618259 1 OF3N6C19H19 AB3C6D19E19 -91.73 8.52 -8.69 -0.96 0
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297456 117618280 2 NOC6H9 ABC6D9 -44.28 2.85 -8.67 0.21 0
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297457 117618284 1 ON4C13H20 AB4C13D20 5.26 4.61 -8.56 -0.21 0
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297458 117618312 1 O4N6H20C21 A4B6C20D21 -52.43 8.81 -8.76 -1.24 0
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297459 117618325 1 ClO3N6C22H27 AB3C6D22E27 -70.72 8.92 -8.53 -1.0 0
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297460 117618347 1 FO3N7H22C23 AB3C7D22E23 -54.25 7.28 -8.64 -1.25 0
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297461 117618349 1 FO2N5C19H22 AB2C5D19E22 -66.38 4.77 -8.22 -1.12 0
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297462 117618421 1 FON6C17H19 ABC6D17E19 10.06 7.0 -8.49 -0.93 0
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297463 117618515 1 FO3N7H22C23 AB3C7D22E23 -39.44 4.21 -8.76 -1.0 0
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297464 117618517 1 FO3N7C24H24 AB3C7D24E24 -47.12 5.52 -8.81 -0.82 0
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297465 117618535 1 SN2O2C10H14 AB2C2D10E14 -45.09 5.8 -9.24 -0.46 0
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297466 117618557 1 NF3C14H14 AB3C14D14 -125.86 1.88 -9.63 -1.13 0
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297467 117618559 1 N2F3C15H21 A2B3C15D21 -114.17 3.32 -9.18 0.33 0
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297468 117618567 1 ON2C14H20 AB2C14D20 -24.89 5.93 -8.71 -0.09 0
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297469 117618587 1 NC15H17 AB15C17 37.24 2.64 -9.38 -0.08 0
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297470 117618590 1 NOC18H23 ABC18D23 -21.3 1.83 -9.18 -0.16 0
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297471 117618597 1 NF2O2C12H17 AB2C2D12E17 -197.85 5.02 -10.07 -0.32 0
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297472 117618611 1 NOC17H21 ABC17D21 -17.21 1.48 -9.11 -0.14 0
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297473 117618612 1 NOC14H23 ABC14D23 -57.33 3.1 -9.74 -0.18 0
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297474 117618613 1 FO3N5H20C24 AB3C5D20E24 -38.84 3.23 -8.7 -0.66 0
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297475 117618616 1 BrN2C9H11 AB2C9D11 70.11 2.58 -9.3 0.09 0
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297476 117618664 1 NO2C14H23 AB2C14D23 -92.23 2.63 -9.59 -0.03 0
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297477 117618688 2 NC5H5 AB5C5 44.26 4.32 -9.15 -0.86 0
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297478 117618705 1 NF3H8C11 AB3C8D11 -120.06 3.85 -9.66 -1.15 0
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297479 117618707 1 NO2F3C11H14 AB2C3D11E14 -246.76 3.55 -10.26 -0.56 0
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297480 117618713 1 NO2F3C11H14 AB2C3D11E14 -245.92 5.74 -10.26 -0.49 0
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297481 117618718 1 ClNOC13H14 ABCD13E14 -2.25 3.47 -9.11 -0.24 0
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297482 117618721 1 NF3H8C11 AB3C8D11 -120.84 4.28 -9.67 -1.16 0
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297483 117618738 1 FN2H11C12 AB2C11D12 11.75 3.1 -9.9 -0.37 0
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297484 117618811 1 P2O5C6H16 A2B5C6D16 -345.14 4.39 -10.43 1.01 0
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297485 117618833 1 O2N9C37H47 A2B9C37D47 37.57 10.6 -8.57 -1.53 1
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297486 117618866 1 OF2N2H29C35 AB2C2D29E35 56.25 3.67 0.0 0.0 1
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297487 117618868 1 ON4C31H37 AB4C31D37 44.3 1.33 0.0 0.0 0
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297488 117618875 1 FO2C14H17 AB2C14D17 -130.85 2.58 -9.53 -0.14 1
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297489 117618876 1 O2N4C49H55 A2B4C49D55 -11.25 1.79 0.0 0.0 0
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297490 117618884 1 ON3C21H23 AB3C21D23 9.8 6.11 -9.16 -0.55 0
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297491 117618917 2 FNOC11H11 ABCD11E11 -115.86 1.58 -9.08 -0.56 0
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297492 117618950 2 FNOC9H9 ABCD9E9 -104.86 0.93 -9.62 -0.58 0
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297493 117618951 1 N2C9H10 A2B9C10 37.1 3.25 -8.64 -0.25 0
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297494 117618986 1 NSO2C14H15 ABC2D14E15 -22.06 3.51 -8.77 -0.61 0
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297495 117618987 1 N2O2F3C17H17 A2B2C3D17E17 -183.21 4.25 -9.92 -0.5 0
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297496 117619066 1 NO12C29H45 AB12C29D45 -579.07 8.4 -9.89 -0.44 0
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297497 117619068 1 NO11C33H51 AB11C33D51 -530.22 9.02 -9.79 -0.07 0
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297498 117619073 1 NO6C19H31 AB6C19D31 -313.23 7.73 -9.41 0.3 0
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297499 117619080 1 NO10C26H41 AB10C26D41 -491.2 9.23 -10.22 0.27 0
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297500 117619082 1 N2O12C29H40 A2B12C29D40 -518.04 10.79 -9.73 -0.49 0
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297501 117619108 1 O2N3C13H27 A2B3C13D27 -109.63 3.21 -8.64 0.78 0
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297502 117619134 1 F3O3N4H13C15 A3B3C4D13E15 -137.21 2.85 -9.79 -1.68 0
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297503 117619138 1 ClO2N3H10C11 AB2C3D10E11 6.2 1.25 -9.67 -1.45 0
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297504 117619139 1 O2F3N3H10C12 A2B3C3D10E12 -145.2 2.61 -9.93 -1.66 0
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297505 117619337 1 PN5O6C23H34 AB5C6D23E34 -182.02 10.07 -9.13 -1.41 0
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297506 117619362 2 NO3C19H37 AB3C19D37 -409.03 6.74 -8.88 0.28 0
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297507 117619365 1 N2O6C39H76 A2B6C39D76 -417.4 2.41 -8.92 0.58 0
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297508 117619369 2 NO3C23H43 AB3C23D43 -402.43 2.61 -8.99 0.54 0
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297509 117619373 1 FSO2N5C18H18 ABC2D5E18F18 -28.41 7.9 -8.82 -0.69 0
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297510 117619379 1 N2O4C17H30 A2B4C17D30 -150.92 2.91 -9.99 0.63 0
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297511 117619396 1 NSH33C45 ABC33D45 165.11 1.78 -7.96 -0.65 0
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297512 117619398 1 NOH33C45 ABC33D45 140.3 1.02 -7.99 -0.54 0
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297513 117619400 1 NOH49C55 ABC49D55 119.09 2.49 -7.86 -0.73 0
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297514 117619458 1 N2O7C19H34 A2B7C19D34 -282.31 0.95 -9.72 0.65 0
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297515 117619459 1 ON2H16C17 AB2C16D17 78.44 3.09 -8.99 -1.83 0
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297516 117619462 1 F7O8C22H23 A7B8C22D23 -673.52 1.6 -9.45 -0.8 0
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297517 117619475 1 N6O13C63H68 A6B13C63D68 -335.18 8.06 -8.43 -0.62 0
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297518 117619483 3 N4O9C33H44 A4B9C33D44 -1069.66 9.45 -8.53 -1.44 0
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297519 117619528 1 NO5H33C34 AB5C33D34 -124.75 3.24 -8.82 -0.53 0
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297520 117619552 1 FON6H21C24 ABC6D21E24 21.59 4.48 -8.85 -1.01 0
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297521 117619681 1 NO3F4H21C22 AB3C4D21E22 -293.93 5.4 -8.79 -1.02 0
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297522 117619691 1 PSO2N3C13H20 ABC2D3E13F20 -37.85 6.93 -8.99 -0.5 0