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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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142434 53033820 1 N3O3C19H19 A3B3C19D19 -63.36 2.27 -8.84 -0.72 0
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142435 53033821 1 ON3C17H17 AB3C17D17 19.94 1.53 -8.63 -0.59 0
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142436 53033822 1 N3O3H15C17 A3B3C15D17 -47.84 4.65 -9.13 -1.02 0
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142437 53033853 1 BrON3H12C15 ABC3D12E15 38.89 3.24 -9.14 -0.78 0
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142438 53034386 1 FO2N3H22C24 AB2C3D22E24 -26.66 3.33 -8.93 -0.61 0
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142439 53034387 1 FN3O3H24C25 AB3C3D24E25 -63.49 3.11 -8.41 -0.61 0
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142440 53034388 1 FO2N3H22C24 AB2C3D22E24 -27.81 5.98 -8.91 -0.67 0
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142441 53034389 1 OF2N3H17C22 AB2C3D17E22 -28.42 2.88 -9.07 -0.78 0
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142442 53034796 1 BrSN2O2H17C21 ABC2D2E17F21 18.94 3.23 -8.79 -1.19 0
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142443 53034797 1 BrSN2O2H17C21 ABC2D2E17F21 21.11 4.65 -8.82 -1.15 0
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142444 53034959 1 SN3O3H21C25 AB3C3D21E25 25.8 4.45 -8.99 -1.1 0
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142445 53035075 1 ON4C20H24 AB4C20D24 13.9 5.39 -8.58 -0.62 0
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142446 53035103 1 OSN4H12C15 ABC4D12E15 66.38 2.14 -9.88 -1.61 0
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142447 53035210 1 OSN2C17H18 ABC2D17E18 4.21 2.07 -8.62 -1.07 0
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142448 53035211 1 OSN2H18C21 ABC2D18E21 40.34 2.08 -8.76 -1.14 0
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142449 53035213 1 OSN2H20C22 ABC2D20E22 26.5 1.88 -8.62 -1.04 0
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142450 53035214 1 OSN3H15C19 ABC3D15E19 56.63 2.36 -8.86 -1.26 0
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142451 53035215 1 OSN2H18C21 ABC2D18E21 38.92 2.88 -8.57 -1.08 0
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142452 53035216 1 SN2O2H18C21 AB2C2D18E21 5.91 1.8 -8.71 -1.12 0
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142453 53035832 1 ClOSN3H18C19 ABCD3E18F19 10.62 6.56 -8.8 -1.1 0
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142454 53035935 1 OSN4H14C22 ABC4D14E22 154.83 3.95 -8.88 -1.31 0
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142455 53036162 1 ON3C25H31 AB3C25D31 -6.68 4.23 -8.17 0.15 0
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142456 53036174 1 FO2N3C25H30 AB2C3D25E30 -81.68 3.18 -8.0 -0.11 0
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142457 53036175 1 N3O3C24H31 A3B3C24D31 -79.5 2.88 -7.96 0.1 0
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142458 53037246 1 FON5C22H26 ABC5D22E26 12.82 10.05 -8.78 -0.84 0
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142459 53037585 1 OSN3C21H21 ABC3D21E21 39.37 4.34 -8.34 -0.88 0
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142460 53038070 1 FO2N4H19C21 AB2C4D19E21 29.34 7.64 -8.35 -1.55 0
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142461 53038595 1 OSN6C25H30 ABC6D25E30 53.37 5.81 -8.45 -0.49 0
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142462 53038596 1 ClOSN6C23H25 ABCD6E23F25 58.15 5.65 -8.5 -0.69 0
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142463 53038601 1 OSF2N6C22H22 ABC2D6E22F22 -15.31 6.66 -8.56 -0.8 0
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142464 53038602 1 FOSN6C23H25 ABCD6E23F25 21.9 10.29 -8.74 -0.8 0
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142465 53039373 1 FO2N4C19H23 AB2C4D19E23 -65.17 3.56 -9.65 -1.06 0
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142466 53039460 1 ClN4O4C21H21 AB4C4D21E21 -54.73 8.54 -8.55 -0.58 0
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142467 53039461 1 O3N4C20H26 A3B4C20D26 -55.85 4.6 -9.16 -0.57 0
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142468 53039636 1 FON5C16H16 ABC5D16E16 -1.75 6.23 -9.09 -0.92 0
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142469 53039637 1 ClFON5H15C16 ABCD5E15F16 -4.15 5.55 -8.68 -0.94 0
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142470 53039722 1 ON5C23H23 AB5C23D23 72.96 8.37 -8.71 -0.81 0
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142471 53039723 1 ON5C18H19 AB5C18D19 65.21 2.48 -8.9 -1.06 0
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142472 53039724 1 ON5C21H25 AB5C21D25 34.14 6.84 -8.3 -0.85 0
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142473 53039841 1 ON7C23H27 AB7C23D27 68.11 4.16 -8.82 -0.96 0
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142474 53041815 1 ClO2N3H16C19 AB2C3D16E19 28.01 1.54 -9.08 -0.9 0
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142475 53041902 1 O3N4C24H28 A3B4C24D28 -26.15 5.74 -8.47 -0.54 0
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142476 53042119 2 SN2O2C12H15 AB2C2D12E15 -88.02 7.18 -8.73 -1.04 0
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142477 53042181 1 FS2N4O4C24H27 AB2C4D4E24F27 -119.52 1.86 -8.86 -1.1 0
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142478 53042272 1 FSO2N3H16C17 ABC2D3E16F17 -35.77 3.58 -8.61 -0.85 0
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142479 53042273 1 SN3O3C18H19 AB3C3D18E19 -29.83 3.69 -8.55 -0.8 0
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142480 53042274 1 SN3O3C19H21 AB3C3D19E21 -33.65 5.96 -8.47 -0.74 0
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142481 53042275 1 SO2N4H14C15 AB2C4D14E15 31.67 4.11 -8.54 -1.02 0
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142482 53042276 1 SO2N3C17H17 AB2C3D17E17 11.68 4.17 -8.57 -0.81 0
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142483 53042277 1 SO2N3C17H17 AB2C3D17E17 10.46 5.05 -8.47 -0.77 0
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142484 53042278 1 SO2N3C16H21 AB2C3D16E21 -29.62 3.34 -8.48 -0.77 0
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142485 53042331 1 SO3N4C20H20 AB3C4D20E20 -11.95 2.64 -8.69 -0.8 0
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142486 53042517 1 FS2N4O4C23H27 AB2C4D4E23F27 -126.13 7.22 -9.43 -1.1 0
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142487 53042795 1 BrS2N3O3H14C16 AB2C3D3E14F16 11.15 5.05 -9.02 -1.48 0
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142488 53042796 1 ClS2N3O5C18H18 AB2C3D5E18F18 -76.27 4.36 -8.93 -1.07 0
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142489 53043061 1 S2N4O5C23H26 A2B4C5D23E26 -79.44 7.55 -8.49 -1.16 0
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142490 53043503 1 SO2N5C19H23 AB2C5D19E23 -32.4 6.68 -9.02 -1.5 0
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142491 53043534 1 OS2N3H21C23 AB2C3D21E23 56.37 4.36 -8.58 -1.13 0
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142492 53043535 1 ClOSN3H22C25 ABCD3E22F25 40.52 3.29 -8.74 -0.76 0
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142493 53043699 1 FSN3O3C18H20 ABC3D3E18F20 -126.21 2.5 -9.14 -0.85 0
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142494 53043700 1 BrSO3N4C19H21 ABC3D4E19F21 -63.96 3.28 -8.65 -1.21 0
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142495 53044133 1 O2N4C27H34 A2B4C27D34 -61.38 2.25 -8.58 -0.9 0
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142496 53044154 1 N6H18C19 A6B18C19 127.6 9.65 -9.04 -1.0 0
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142497 53044155 1 F3N6H13C18 A3B6C13D18 -19.65 4.44 -9.44 -1.38 0
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142498 53044251 1 FNO2H18C24 ABC2D18E24 -39.55 2.43 -8.73 -0.5 0
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142499 53045029 1 ClSN3O6H22C25 ABC3D6E22F25 -121.37 5.84 -8.98 -0.83 0
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142500 53045184 1 N4O4H18C21 A4B4C18D21 -12.98 7.44 -8.7 -2.02 0
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142501 53045293 1 OSN4C24H24 ABC4D24E24 49.09 3.24 -8.55 -1.02 0
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142502 53045319 1 FSO2N4H23C24 ABC2D4E23F24 -25.18 5.29 -8.32 -1.08 0
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142503 53045320 1 FOSN4H23C24 ABCD4E23F24 8.26 2.99 -8.72 -1.24 0
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142504 53045607 1 ON5C23H23 AB5C23D23 72.97 5.79 -8.78 -1.34 0
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142505 53045965 1 FON7H18C24 ABC7D18E24 79.9 2.71 -9.13 -1.51 0
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142506 53046790 2 OSN3H11C12 ABC3D11E12 56.98 6.28 -8.36 -1.34 0
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142507 53046791 1 ClO2S2N6H17C22 AB2C2D6E17F22 68.68 8.01 -8.48 -1.38 0
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142508 53047295 1 NS2O5H21C23 AB2C5D21E23 -105.41 7.96 -8.4 -0.97 0
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142509 53047296 1 NS2O5H19C23 AB2C5D19E23 -62.99 5.54 -8.62 -1.05 0
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142510 53047297 1 NS2O5H21C22 AB2C5D21E22 -131.03 10.12 -8.53 -0.94 0
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142511 53047678 1 ON5C25H29 AB5C25D29 16.0 2.96 -8.39 -0.14 0
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142512 53047679 1 ClFON5C23H23 ABCD5E23F23 -20.14 3.63 -8.4 -0.88 0
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142513 53048027 1 ON6C24H28 AB6C24D28 14.79 2.98 -8.32 -0.2 0
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142514 53048139 1 ClSO2N5C22H24 ABC2D5E22F24 -15.66 3.99 -8.55 -1.14 0
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142515 53048474 1 FO3N4H15C18 AB3C4D15E18 -64.97 7.26 -8.94 -1.62 1
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142516 53048475 1 O3N4H17C18 A3B4C17D18 -31.29 1.95 0.0 0.0 0
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142517 53048476 1 O3N4H16C18 A3B4C16D18 -17.33 6.54 -8.83 -1.56 0
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142518 53049277 1 SO2N4C28H28 AB2C4D28E28 23.6 7.12 -8.82 -0.46 0
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142519 53049278 1 SO2N4C28H28 AB2C4D28E28 22.85 4.49 -8.95 -0.57 0
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142520 53049413 4 NOC7H7 ABC7D7 -46.9 4.7 -8.82 -0.49 0
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142521 53049698 1 ClSO2N3C20H22 ABC2D3E20F22 -24.32 5.37 -8.62 -0.58 0
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142522 53049847 1 ClN4O4H25C28 AB4C4D25E28 -46.94 4.36 -8.07 -0.65 0
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142523 53049848 1 ClO3N4H23C27 AB3C4D23E27 -15.57 5.3 -8.7 -0.78 0
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142524 53049849 1 ClO3N4H23C27 AB3C4D23E27 -12.03 5.16 -8.37 -0.7 0
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142525 53050089 1 SO3N4C25H26 AB3C4D25E26 -55.43 7.04 -8.7 -0.39 0
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142526 53050620 1 FSO3N5C24H24 ABC3D5E24F24 -71.88 4.49 -8.82 -0.92 0
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142527 53051270 1 FON3C23H26 ABC3D23E26 -24.3 3.87 -8.41 -0.02 0
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142528 53051383 1 N3O3C24H25 A3B3C24D25 -12.1 5.5 -8.85 -0.63 0
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142529 53051384 1 N3O3C23H25 A3B3C23D25 -33.61 5.31 -8.98 -0.64 0
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142530 53051513 1 ClN3O3C22H22 AB3C3D22E22 -30.88 2.32 -9.09 -0.67 0
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142531 53051538 1 ON4C16H16 AB4C16D16 50.68 4.33 -8.8 -0.99 0
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142532 53051539 1 ON4C16H16 AB4C16D16 49.25 4.25 -8.69 -0.98 0
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142533 53051540 1 BrFON4H10C14 ABCD4E10F14 20.49 5.65 -9.19 -1.15 0