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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
Show
438736 135228489 1 F3N3O4C26H28 A3B3C4D26E28 -259.12 8.66 -9.11 -1.04 0
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438737 135228490 1 NOC14H19 ABC14D19 -26.33 1.94 -8.52 -0.18 0
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438738 135228491 1 NOC15H23 ABC15D23 -34.59 2.51 -8.4 0.27 0
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438739 135228492 1 N3O3C30H41 A3B3C30D41 -103.27 8.88 -8.21 -0.86 0
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438740 135228493 1 N3C25H31 A3B25C31 67.74 4.75 -7.41 -0.32 0
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438741 135228494 1 N3O5C34H47 A3B5C34D47 -140.35 3.15 -8.39 -0.59 0
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438742 135228495 1 N3O5C26H33 A3B5C26D33 -160.16 7.39 -8.26 -0.87 0
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438743 135228496 2 NOC15H20 ABC15D20 -38.59 9.15 -7.97 -0.6 0
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438744 135228497 1 O2N5C34H51 A2B5C34D51 -62.87 10.63 -8.72 -0.83 0
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438745 135228498 1 N3O4C23H25 A3B4C23D25 -103.7 7.83 -9.39 -1.54 0
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438746 135228499 1 N3O4C24H29 A3B4C24D29 -110.16 9.35 -8.99 -0.96 0
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438747 135228500 1 N3O3C25H33 A3B3C25D33 -89.84 10.3 -8.83 -1.1 0
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438748 135228501 1 N3O3C24H31 A3B3C24D31 -89.22 7.51 -9.21 -0.56 0
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438749 135228502 1 NOC30H39 ABC30D39 -18.8 6.42 -7.79 -0.45 0
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438750 135228503 1 ON3C26H33 AB3C26D33 26.23 5.88 -7.4 -0.4 0
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438751 135228504 1 N3O4C26H31 A3B4C26D31 -111.48 4.51 -9.01 -1.15 0
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438752 135228505 1 N3O4C23H25 A3B4C23D25 -113.15 12.8 -9.39 -1.32 0
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438753 135228506 3 NC11H15 AB11C15 50.43 5.84 -7.33 -0.18 0
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438754 135228508 1 NO2C26H31 AB2C26D31 -40.6 7.52 -7.82 -0.64 0
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438755 135228509 1 NO2C22H25 AB2C22D25 -47.02 9.22 -8.22 -0.83 0
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438756 135228510 1 N4O4C21H24 A4B4C21D24 -103.77 10.52 -9.72 -1.65 0
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438757 135228511 1 N2O3C23H30 A2B3C23D30 -85.68 3.16 -8.52 -0.56 0
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438758 135228512 1 NO2C26H31 AB2C26D31 -29.72 8.74 -7.75 -0.62 0
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438759 135228513 1 O2N3C32H45 A2B3C32D45 -49.85 2.66 -8.05 0.11 0
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438760 135228514 1 N2O2C29H34 A2B2C29D34 -13.64 4.63 -7.7 -0.8 0
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438761 135228515 4 NOC8H11 ABC8D11 -117.54 4.58 -8.62 -1.09 0
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438762 135228516 1 O2N3C27H37 A2B3C27D37 -11.48 2.67 -7.98 -0.29 0
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438763 135228517 1 N3C13H25 A3B13C25 4.8 3.9 -8.46 0.22 0
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438764 135228518 1 ON3C11H15 AB3C11D15 -5.57 4.06 -8.32 -0.44 0
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438765 135228519 1 OC14H16 AB14C16 6.02 3.68 -9.52 -0.42 0
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438766 135228520 1 ON3C11H15 AB3C11D15 -1.34 5.6 -8.53 -0.16 0
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438767 135228521 2 NOC12H15 ABC12D15 -30.72 6.44 -7.75 -0.54 0
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438768 135228522 4 NOC7H8 ABC7D8 -86.79 7.52 -8.68 -1.14 0
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438769 135228523 1 O2N3C28H33 A2B3C28D33 -23.23 5.9 -8.75 -1.17 0
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438770 135228524 1 N3O5C29H33 A3B5C29D33 -170.54 10.87 -8.68 -1.4 0
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438771 135228525 2 NO2C13H15 AB2C13D15 -116.75 13.69 -8.18 -1.22 0
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438772 135228526 1 NC16H27 AB16C27 -31.6 1.56 -9.08 0.35 0
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438773 135228527 1 N2C17H28 A2B17C28 41.55 1.77 -8.58 -0.24 0
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438774 135228528 1 NOC30H35 ABC30D35 12.63 6.55 -7.64 -0.46 0
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438775 135228529 1 N4O5C25H30 A4B5C25D30 -133.57 14.55 -9.01 -0.98 0
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438776 135228532 2 ON2C14H17 AB2C14D17 -8.79 9.79 -8.6 -1.0 0
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438777 135228533 1 N2O2C27H30 A2B2C27D30 -20.45 5.01 -7.75 -0.8 0
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438778 135228534 1 NOC22H35 ABC22D35 -86.71 3.04 -9.4 0.19 0
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438779 135228535 1 NO3C21H31 AB3C21D31 -144.74 2.14 -9.15 -0.43 0
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438780 135228536 1 NO2C22H35 AB2C22D35 -125.13 3.18 -9.53 0.19 0
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438781 135228538 1 NO3C21H31 AB3C21D31 -142.54 3.47 -8.7 -0.05 0
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438782 135228539 1 NO2C21H33 AB2C21D33 -125.49 5.32 -9.29 0.39 0
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438783 135228540 1 N2O3C31H38 A2B3C31D38 -97.31 8.7 -7.96 -0.79 0
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438784 135228541 1 FN2O4C25H25 AB2C4D25E25 -166.03 10.61 -9.48 -1.44 0
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438785 135228542 2 NO2C13H15 AB2C13D15 -132.44 16.52 -8.96 -1.15 0
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438786 135228543 1 N2O5C29H34 A2B5C29D34 -181.49 4.11 -8.69 -1.13 0
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438787 135228544 1 F3N3O4C22H22 A3B3C4D22E22 -268.58 3.43 -9.02 -0.71 0
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438788 135228545 1 FN2O4H23C24 AB2C4D23E24 -157.0 7.37 -9.44 -1.6 0
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438789 135228546 1 N2O4C25H28 A2B4C25D28 -123.06 16.32 -8.52 -1.18 0
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438790 135228547 1 O2N3C30H35 A2B3C30D35 -32.47 11.26 -8.17 -0.74 0
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438791 135228548 1 N3O4C28H31 A3B4C28D31 -113.28 13.18 -8.6 -1.32 0
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438792 135228549 1 O6C21H26 A6B21C26 -210.24 3.4 -8.43 -0.12 0
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438793 135228550 1 N3O4C26H29 A3B4C26D29 -113.85 7.43 -8.66 -1.03 0
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438794 135228551 1 O7C21H24 A7B21C24 -247.06 4.1 -8.76 -0.25 0
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438795 135228552 1 N3O3C27H31 A3B3C27D31 -63.1 4.31 -7.93 -1.06 0
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438796 135228553 1 OSN3C12H19 ABC3D12E19 0.82 3.37 -8.74 -0.36 0
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438797 135228554 1 N4O6C29H32 A4B6C29D32 -196.93 10.79 -8.91 -1.47 0
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438798 135228555 1 NO4H17C21 AB4C17D21 -48.75 3.25 -8.5 -1.14 0
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438799 135228556 1 NO2C9H15 AB2C9D15 -93.75 5.28 -9.32 0.14 0
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438800 135228557 1 O2N4C35H48 A2B4C35D48 -31.88 8.81 -8.52 -0.56 0
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438801 135228558 1 ON2C33H42 AB2C33D42 -10.67 8.47 -7.88 -0.63 0
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438802 135228559 1 ClN2O2H21C23 AB2C2D21E23 -11.9 4.51 -9.06 -0.97 0
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438803 135228560 2 N2H5C6 A2B5C6 93.64 2.47 -9.13 -0.98 0
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438804 135228561 3 NC4H5 AB4C5 49.36 2.71 -9.33 0.54 0
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438805 135228562 1 ON2C22H30 AB2C22D30 -20.42 5.33 -8.69 -0.28 0
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438806 135228563 1 NC16H23 AB16C23 17.55 1.23 -9.02 0.28 0
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438807 135228564 1 FN2O2C18H23 AB2C2D18E23 -99.4 4.4 -8.89 -0.68 0
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438808 135228565 1 NSC13H27 ABC13D27 -50.24 2.35 -8.34 1.0 0
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438809 135228566 1 NO3F6H13C21 AB3C6D13E21 -344.34 7.08 -9.2 -1.32 0
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438810 135228567 1 N4H12C13 A4B12C13 86.74 3.39 -9.12 -0.65 0
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438811 135228568 1 NC23H29 AB23C29 33.26 1.12 -9.06 0.24 0
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438812 135228569 1 NOC20H23 ABC20D23 4.09 3.28 -8.37 -0.17 0
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438813 135228570 1 SN2O3C14H18 AB2C3D14E18 -91.72 2.31 -8.87 -0.3 0
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438814 135228571 1 FSN2O3C20H23 ABC2D3E20F23 -106.21 2.02 -8.68 -0.13 0
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438815 135228572 1 SO4N5C28H33 AB4C5D28E33 -92.88 6.03 -9.15 -1.16 0
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438816 135228573 1 N3C7H13 A3B7C13 30.02 4.24 -8.49 0.2 1
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438817 135228574 1 SN4O6C26H29 AB4C6D26E29 -132.13 4.8 0.0 0.0 0
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438818 135228575 1 SO4N5C23H25 AB4C5D23E25 -84.71 3.54 -8.98 -1.06 0
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438819 135228576 2 NC11H17 AB11C17 4.57 3.36 -8.71 0.37 1
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438820 135228577 1 SN4O6C27H31 AB4C6D27E31 -133.61 5.4 0.0 0.0 0
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438821 135228578 1 N2O3C20H20 A2B3C20D20 -49.01 4.67 -8.61 -0.12 0
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438822 135228579 1 ON3C18H25 AB3C18D25 15.71 7.59 -8.8 -0.59 0
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438823 135228580 1 NC19H33 AB19C33 -35.42 1.88 -8.56 0.7 0
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438824 135228581 2 ON2C12H16 AB2C12D16 -58.14 3.19 -9.0 -0.63 0
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438825 135228582 2 O3C17H19 A3B17C19 -161.6 0.99 -8.48 -0.02 0
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438826 135228583 1 FSO4N5C25H28 ABC4D5E25F28 -143.17 5.42 -8.9 -1.27 0
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438827 135228584 1 O2N3C24H31 A2B3C24D31 -27.29 3.57 -8.64 -0.06 0
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438828 135228585 1 FSO5N6C30H35 ABC5D6E30F35 -166.87 7.01 -8.57 -0.95 0
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438829 135228586 1 FSO5N6C30H35 ABC5D6E30F35 -170.7 3.52 -9.27 -1.27 0
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438830 135228587 1 FSO5N6C33H41 ABC5D6E33F41 -182.48 3.2 -8.51 -0.8 0
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438831 135228588 1 FSO5N6C32H39 ABC5D6E32F39 -177.92 5.13 -8.74 -1.08 0
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438832 135228589 1 FSO5N6C31H35 ABC5D6E31F35 -144.39 5.37 -9.1 -1.24 0
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438833 135228590 1 FS2N5O7C31H40 AB2C5D7E31F40 -272.46 7.46 -8.88 -1.02 0
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438834 135228591 1 SN4O5C23H24 AB4C5D23E24 -130.77 5.98 -8.98 -1.25 0
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438835 135228592 1 FSO4N5C28H32 ABC4D5E28F32 -141.7 4.98 -8.71 -1.06 0