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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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161416 57391610 1 OF3N5H14C15 AB3C5D14E15 -99.8 4.89 -8.99 -0.94 0
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161417 57391612 1 O15N17C85H113 A15B17C85D113 -601.67 8.47 -8.84 -0.69 0
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161418 57391614 2 N3O5C21H22 A3B5C21D22 -313.44 4.81 -8.85 -1.8 0
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161419 57391616 2 NO5H22C23 AB5C22D23 -313.93 11.43 -8.49 -1.34 0
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161420 57391618 1 FNSO3H16C17 ABCD3E16F17 -110.55 6.88 -9.17 -0.85 0
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161421 57391623 1 SCl2O2N3C24H29 AB2C2D3E24F29 -58.06 2.41 -8.32 -1.24 0
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161422 57391624 1 ClSO2N3C24H28 ABC2D3E24F28 -24.94 7.57 -8.4 -1.1 0
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161425 57391648 1 ON4C25H28 AB4C25D28 18.86 2.45 -8.67 -0.63 0
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161426 57391652 1 F3O4N5C15H18 A3B4C5D15E18 -258.63 3.32 -9.22 -0.62 0
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161427 57391657 1 FINO2C19H23 ABCD2E19F23 -90.11 2.4 -8.93 -0.82 0
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161430 57391664 1 NO3C22H25 AB3C22D25 -90.72 2.47 -9.0 -0.63 0
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161431 57391667 1 N2O8C15H20 A2B8C15D20 -332.46 8.68 -9.65 -0.85 0
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161432 57391668 1 ClFNSO4C20H23 ABCDE4F20G23 -204.27 7.76 -9.39 -0.95 0
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161433 57391670 1 OSN4H12C18 ABC4D12E18 76.54 9.85 -8.52 -1.36 0
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161434 57391671 1 O2C15H26 A2B15C26 -132.77 2.78 -9.61 1.43 0
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161435 57391673 1 ON2Cl3H25C42 AB2C3D25E42 139.97 2.74 -8.93 -1.38 0
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161436 57391675 1 ON2F3H17C26 AB2C3D17E26 -89.33 3.35 -8.74 -0.86 0
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161437 57391676 1 N2O3H22C27 A2B3C22D27 4.02 3.2 -8.3 -0.63 0
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161438 57391679 1 S7Na9C38O49H55 A7B9C38D49E55 -2407.98 32.45 -4.68 -0.75 0
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161439 57391682 1 N2O3C27H30 A2B3C27D30 -56.28 3.53 -8.74 -0.04 0
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161440 57391684 1 ClN3O4C23H24 AB3C4D23E24 -98.33 9.74 -9.0 -0.98 0
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161441 57391685 1 F3N4O4C23H23 A3B4C4D23E23 -235.72 11.59 -9.28 -1.6 0
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161443 57391692 1 SN2O2F3C14H19 AB2C2D3E14F19 -219.27 4.07 -8.82 -1.25 0
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161444 57391698 1 SO4N8C27H38 AB4C8D27E38 -73.14 4.93 -7.96 -0.71 0
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161445 57391699 1 SO4N9C30H43 AB4C9D30E43 -67.09 4.83 -7.7 -0.53 0
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161446 57391700 1 ClOF2N3H14C21 ABC2D3E14F21 -38.47 5.41 -9.25 -1.32 0
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161448 57391702 1 N2O4F5H23C27 A2B4C5D23E27 -290.23 5.63 -9.2 -1.25 0
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161449 57391704 1 O2N3C16H17 A2B3C16D17 -8.17 6.13 -9.56 -0.71 0
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161450 57391709 1 INO2F3C20H23 ABC2D3E20F23 -212.14 6.74 -9.3 -1.18 0
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161453 57391714 1 PF3N4O4C21H24 AB3C4D4E21F24 -308.15 8.93 -9.14 -0.86 0
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161454 57391715 1 BrPN4O4C20H24 ABC4D4E20F24 -131.61 6.01 -8.86 -0.59 0
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161455 57391719 1 N9O10C60H79 A9B10C60D79 -345.19 8.17 -8.78 -1.23 0
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161457 57391721 1 S2N3O5C32H47 A2B3C5D32E47 -209.29 7.26 -9.1 -0.46 0
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161458 57391722 1 ClS2N3O5C31H44 AB2C3D5E31F44 -211.22 4.84 -9.2 -0.45 0
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161459 57391724 1 N2H18C25 A2B18C25 122.09 3.71 -8.73 -0.82 0
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161460 57391728 1 NO3C20H33 AB3C20D33 -174.43 5.83 -9.56 -0.25 0
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161461 57391729 1 NSO3C19H19 ABC3D19E19 -55.1 6.69 -9.1 -0.77 0
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161462 57391735 2 FNO2H6C7 ABC2D6E7 -113.25 3.97 -9.77 -1.2 0
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161463 57391738 1 FNO11C40H62 ABC11D40E62 -558.62 4.65 -8.75 -0.42 0
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161464 57391741 1 N2O11C39H60 A2B11C39D60 -468.7 8.88 -9.25 -0.24 0
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161466 57391750 1 N9O11C50H69 A9B11C50D69 -472.17 9.33 -8.99 -1.14 0
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161468 57391752 1 N9O11C51H71 A9B11C51D71 -433.47 7.42 -8.93 -0.92 0
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161469 57391753 1 BrN7C28H30 AB7C28D30 146.94 19.38 -7.23 -1.1 1
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161470 57391758 1 N7C26H26 A7B26C26 161.54 2.82 0.0 0.0 0
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161471 57391759 1 BrN7C30H34 AB7C30D34 175.5 30.44 -6.51 -1.89 1
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161472 57391760 1 N7C30H34 A7B30C34 140.95 4.45 0.0 0.0 0
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161473 57391761 2 SN2O4C15H18 AB2C4D15E18 -286.86 2.48 -8.8 -1.76 0
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161474 57391766 1 F3O3N5C24H28 A3B3C5D24E28 -239.05 6.11 -8.86 -1.4 0
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161475 57391767 1 F3N4O4C27H33 A3B4C4D27E33 -304.04 2.57 -8.85 -1.2 0
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161476 57391768 1 F3O3N5C24H28 A3B3C5D24E28 -240.84 5.11 -8.88 -1.24 0
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161477 57391769 1 OCl2N3H15C17 AB2C3D15E17 -0.13 1.39 -9.09 -0.7 0
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161478 57391771 1 N3O3F7H24C25 A3B3C7D24E25 -462.16 3.34 -9.35 -1.28 1
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161479 57391774 1 SN2O2C27H37 AB2C2D27E37 -29.01 2.96 0.0 0.0 1
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161480 57391775 1 FN2O2C29H38 AB2C2D29E38 -76.93 0.54 0.0 0.0 0
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161481 57391776 1 FISO2N4C22H26 ABCD2E4F22G26 -89.95 5.36 -8.74 -1.24 0
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161482 57391777 1 NC16H21 AB16C21 -9.51 1.35 -9.06 0.51 0
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161483 57391778 1 FN4H21C25 AB4C21D25 93.83 3.86 -8.51 -0.75 0
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161484 57391779 1 SN2O2C18H32 AB2C2D18E32 -81.41 3.95 -8.71 -0.72 0
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161486 57391787 1 N3O5C33H47 A3B5C33D47 -182.7 6.46 -8.68 -0.76 0
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161487 57391791 1 N2O13C40H60 A2B13C40D60 -476.15 9.04 -9.21 -1.39 0
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161488 57391792 1 ClSN3O3C28H30 ABC3D3E28F30 -68.23 3.5 -8.94 -0.68 0
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161489 57391797 1 SF3N3O4C23H26 AB3C3D4E23F26 -295.32 7.2 -9.33 -1.16 0
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161490 57391798 1 BrNO5H18C21 ABC5D18E21 -52.66 3.66 -9.02 -1.54 0
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161491 57391799 1 SCl2N2O6H24C25 AB2C2D6E24F25 -206.57 4.7 -9.17 -1.34 0
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161492 57391805 1 O2N8C25H28 A2B8C25D28 35.03 5.87 -8.53 -0.83 0
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161493 57391806 1 O2N8C27H28 A2B8C27D28 54.79 6.35 -8.51 -0.75 0
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161494 57391808 1 NO3C18H23 AB3C18D23 -133.92 8.64 -8.95 -0.81 0
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161495 57391811 1 S2N17O17C70H97 A2B17C17D70E97 -740.14 15.04 -8.33 -0.38 0
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161496 57391813 1 O3N4H18C22 A3B4C18D22 14.39 2.92 -9.14 -1.08 0
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161497 57391820 1 ClNO3C26H32 ABC3D26E32 -120.08 5.0 -8.56 -0.2 0
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161498 57391821 1 NO3C26H31 AB3C26D31 -87.34 6.7 -8.39 0.03 0
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161499 57391822 1 NCl2O3C26H31 AB2C3D26E31 -127.21 3.17 -8.65 -0.28 0
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161500 57391827 2 ClNC7H8 ABC7D8 4.46 6.49 -8.93 -0.58 0
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161501 57391829 1 S2N4O4C17H26 A2B4C4D17E26 -103.42 5.4 -8.59 -0.78 0
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161502 57391833 1 ON6H18C24 AB6C18D24 106.87 7.02 -9.01 -0.88 0
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161504 57391840 1 SO3N7H13C16 AB3C7D13E16 135.82 11.07 -9.08 -1.71 0
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161505 57391841 1 NO3C21H31 AB3C21D31 -132.84 2.17 -8.16 0.17 0
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161506 57391846 1 O2N3C27H29 A2B3C27D29 6.12 3.35 -8.53 -0.31 0
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161508 57391848 1 SO2N5C15H17 AB2C5D15E17 23.93 6.74 -9.2 -1.22 0
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161509 57391850 1 FON5H14C19 ABC5D14E19 24.27 6.91 -9.18 -0.89 0
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161510 57391852 1 ON5H15C19 AB5C15D19 72.98 8.97 -9.01 -0.78 0
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161511 57391854 1 O2N5H23C24 A2B5C23D24 -1.19 5.77 -8.77 -0.64 0
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161512 57391857 1 S2N3O4C26H35 A2B3C4D26E35 -125.36 4.77 -8.67 -0.56 2
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161513 57391860 1 MnP2N4O14C22H32 AB2C4D14E22F32 -639.7 7.87 0.0 0.0 0
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161517 57391875 1 ClO3N7C18H24 AB3C7D18E24 16.05 6.0 -8.78 -1.26 0
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161518 57391876 1 F2N6O7C24H28 A2B6C7D24E28 -298.04 9.84 -9.24 -1.26 0
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161523 57391904 1 N4C11H12 A4B11C12 84.23 2.32 -8.88 -0.32 0
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161524 57391905 1 ClN4C12H15 AB4C12D15 37.06 3.34 -8.94 -0.55 0
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161526 57391908 1 N4C13H16 A4B13C16 60.01 3.02 -9.0 -0.17 0
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161527 57391909 1 ClN5C10H12 AB5C10D12 72.73 8.07 -9.1 -0.35 1
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161530 57391914 1 ClSO3N5C18H18 ABC3D5E18F18 -35.0 5.69 -9.11 -1.36 0
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161532 57391918 1 ON5C15H17 AB5C15D17 31.77 1.94 -8.84 -0.82 0
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161533 57391920 1 N2O2F3H17C24 A2B2C3D17E24 -159.68 9.97 -8.76 -1.12 0
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161534 57391922 1 FN4H9C13 AB4C9D13 75.34 2.22 -9.32 -1.1 0
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161536 57391925 1 N4C17H20 A4B17C20 67.43 5.53 -9.57 -0.9 0
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161537 57391926 1 ON4C15H18 AB4C15D18 8.89 1.49 -8.96 -0.7 0
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161538 57391936 1 ON7C16H23 AB7C16D23 35.33 1.42 -8.47 -0.09 0
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161539 57391938 1 ClO3H15C18 AB3C15D18 -81.33 2.47 -9.2 -0.59 0
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161540 57391940 2 OF3H7C10 AB3C7D10 -364.5 2.55 -10.15 -1.37 0
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161541 57391945 1 NPC5O5H12 ABC5D5E12 -281.29 6.52 -9.89 0.11 0