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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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
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438836 135228593 1 N3O6C28H33 A3B6C28D33 -192.03 9.97 -8.67 -1.0 0
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438837 135228594 1 NOC27H33 ABC27D33 23.75 4.27 -7.39 -0.36 0
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438838 135228595 1 ON3C31H41 AB3C31D41 6.98 3.1 -7.39 -0.31 0
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438839 135228597 1 O2N4C27H34 A2B4C27D34 -6.54 8.31 -7.65 -0.61 0
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438840 135228598 1 FSO4N5C26H28 ABC4D5E26F28 -131.78 3.58 -8.64 -0.95 0
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438841 135228599 1 NO8C31H33 AB8C31D33 -265.98 3.51 -8.68 0.16 0
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438842 135228600 1 SO4N5C26H33 AB4C5D26E33 -117.07 1.08 -8.18 -0.9 0
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438843 135228601 1 N3O6C28H37 A3B6C28D37 -226.74 12.81 -8.5 -1.24 0
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438844 135228602 1 O2N3C31H41 A2B3C31D41 -12.54 8.28 -7.82 -0.65 0
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438845 135228603 1 N2C13H16 A2B13C16 47.02 3.1 -8.48 -0.58 0
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438846 135228604 1 NO2C15H23 AB2C15D23 -92.65 2.76 -8.42 0.37 0
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438847 135228605 1 N3O4C30H43 A3B4C30D43 -137.08 8.74 -8.38 -0.88 0
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438848 135228606 1 ON3C34H53 AB3C34D53 -37.52 4.16 -8.37 0.04 0
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438849 135228607 1 SO4N5C27H31 AB4C5D27E31 -84.34 5.62 -9.04 -0.92 0
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438850 135228608 1 NC23H29 AB23C29 52.95 1.83 -8.7 0.36 0
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438851 135228609 1 NO7C29H31 AB7C29D31 -221.8 2.71 -8.74 0.14 0
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438852 135228610 1 O3N5C33H45 A3B5C33D45 -83.64 10.13 -8.29 -1.03 0
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438853 135228611 1 N3O5C25H29 A3B5C25D29 -161.24 12.06 -8.95 -1.36 0
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438854 135228612 1 O4N5C31H39 A4B5C31D39 -104.29 10.33 -8.63 -1.18 0
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438855 135228613 1 N3O3C27H35 A3B3C27D35 -72.14 6.58 -7.83 -0.6 0
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438856 135228614 1 FSO4N5C27H32 ABC4D5E27F32 -151.02 6.31 -8.31 -1.01 0
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438857 135228615 1 O7H22C26 A7B22C26 -186.05 3.59 -8.58 -0.02 0
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438858 135228616 1 O3C10H20 A3B10C20 -169.23 4.29 -10.05 1.58 0
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438859 135228617 1 FO2N3C27H32 AB2C3D27E32 -22.38 7.87 -8.99 -1.12 0
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438860 135228618 1 N2O3C29H40 A2B3C29D40 -102.56 8.24 -8.06 -0.61 0