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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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146567 53705935 1 S2O3N4C25H44 A2B3C4D25E44 -140.6 3.75 -8.65 0.23 0
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146568 53706083 1 SN2O4C16H30 AB2C4D16E30 -219.25 2.16 -8.48 0.3 0
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146569 53706386 2 O2C5H6 A2B5C6 -131.44 1.38 -8.75 0.03 0
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146570 53706633 1 NO3Cl4C20H27 AB3C4D20E27 -110.72 2.41 -9.11 -0.58 0
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146571 53706634 1 BrClN2O3C24H26 ABC2D3E24F26 -60.06 2.64 -9.35 -1.05 0
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146572 53706635 1 BrClOF3H17C22 ABCD3E17F22 -146.58 2.1 -9.12 -0.58 0
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146573 53706636 2 SN2C13H21 AB2C13D21 9.25 3.1 -8.2 0.12 0
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146574 53706718 2 O4C23H23 A4B23C23 -248.28 2.78 -9.26 -1.64 0
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146575 53706800 1 NO2C10H15 AB2C10D15 -71.58 1.14 -9.77 -0.17 0
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146576 53706801 1 O2N3C17H19 A2B3C17D19 -18.76 6.5 -9.31 -0.73 0
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146577 53706850 1 FO6C24H31 AB6C24D31 -319.31 12.66 -9.45 -0.22 0
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146578 53707003 2 HC8F14 AB8C14 -1394.43 1.56 -12.24 -2.39 0
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146579 53707046 1 NOC13H27 ABC13D27 -69.08 0.17 -8.79 1.77 1
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146580 53707931 1 SN2O3C9H17 AB2C3D9E17 -81.34 3.06 0.0 0.0 0
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146581 53707932 1 ClN3O3F7H29C31 AB3C3D7E29F31 -432.99 3.94 -9.25 -1.68 0
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146582 53707987 2 NO2C22H31 AB2C22D31 -189.94 4.3 -8.32 0.13 0
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146583 53707988 1 Cl2O2N4C19H22 A2B2C4D19E22 -39.37 5.21 -9.13 -0.79 0
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146584 53708144 1 S2N6O8C23H32 A2B6C8D23E32 -220.5 2.88 -9.02 -0.74 0
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146585 53708686 1 NSO3C11H11 ABC3D11E11 -97.72 5.28 -8.46 -0.61 0
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146586 53708887 1 NO2H9C10 AB2C9D10 -45.08 7.3 -8.7 -0.79 0
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146587 53709658 1 SN4O8C31H46 AB4C8D31E46 -333.06 6.3 -9.48 -0.29 0
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146588 53709746 1 O7C9H12 A7B9C12 -280.64 3.9 -10.33 -1.0 0
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146589 53709859 1 O2C7F14 A2B7C14 -768.48 0.99 -11.15 -1.62 0
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146590 53710389 1 O5H8C9 A5B8C9 -191.36 5.04 -9.88 -1.01 0
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146591 53710629 1 ClOF3H4C7 ABC3D4E7 -168.51 2.47 -10.42 -1.14 0
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146592 53711179 2 OF2H9C10 AB2C9D10 -248.01 6.33 -9.37 -1.19 0
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146593 53711390 2 SH5C6 AB5C6 51.41 1.4 -8.69 -0.38 0
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146594 53711440 1 SO3N6H22C24 AB3C6D22E24 39.88 3.93 -8.64 -1.01 0
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146595 53711640 1 N5O6C15H17 A5B6C15D17 -188.75 5.2 -9.38 -0.99 0
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146596 53712150 1 F3N4O4C22H25 A3B4C4D22E25 -210.07 3.02 -9.14 -0.69 0
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146597 53712396 1 N3O3C28H37 A3B3C28D37 -67.16 6.75 -7.7 -0.77 0
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146598 53713578 2 OC4H7 AB4C7 -99.12 2.07 -9.45 0.5 0
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146599 53713918 1 F2N2O5H12C15 A2B2C5D12E15 -241.71 5.07 -10.07 -1.18 0
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146600 53714446 1 SN2O3C7H14 AB2C3D7E14 -51.89 2.35 -9.46 -0.73 0
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146601 53714804 2 N3O3C5H10 A3B3C5D10 -30.49 2.72 -9.57 -0.9 0
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146602 53714938 1 PO4C9H21 AB4C9D21 -260.0 5.16 -9.88 1.19 0
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146603 53715609 1 ON3H7C9 AB3C7D9 55.86 7.77 -8.98 -0.82 0
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146604 53715701 1 BrNSO3C15H22 ABCD3E15F22 -123.0 3.71 -9.48 -1.25 0
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146605 53715858 1 SN4O7C14H24 AB4C7D14E24 -319.59 1.12 -9.4 -0.02 0
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146606 53715975 1 Cl2O2C19H20 A2B2C19D20 -45.2 3.1 -8.64 0.11 0
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146607 53715976 1 NO2C22H29 AB2C22D29 -71.05 3.32 -9.12 -0.65 0
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146608 53715977 1 NOC19H23 ABC19D23 -9.94 2.22 -8.57 0.3 0
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146609 53715978 1 NOC19H23 ABC19D23 -10.61 1.83 -8.55 0.34 0
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146610 53715979 1 N2O3C19H30 A2B3C19D30 -149.5 2.16 -10.0 -0.54 0
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146611 53716067 2 IN2H7C10 AB2C7D10 239.99 1.73 -8.07 -1.95 0
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146612 53716466 2 NC7H10 AB7C10 20.33 2.42 -8.06 0.49 0
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146613 53717046 1 SN3H15C16 AB3C15D16 89.16 5.18 -7.92 -0.19 0
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146614 53717629 1 ClNO4H24C25 ABC4D24E25 -115.72 3.93 -8.93 -1.26 0
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146615 53718164 1 S2N3O11C17H19 A2B3C11D17E19 -334.17 8.96 -10.35 -1.34 0
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146616 53718393 1 ClBr2O2N4C27H31 AB2C2D4E27F31 -63.03 6.03 -9.08 -0.69 0
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146617 53718876 1 BNO3C8H14 ABC3D8E14 -61.19 1.76 -8.25 0.15 0
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146618 53718877 1 SN5O7C16H17 AB5C7D16E17 -196.14 1.92 -9.12 -1.22 0
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146619 53718878 2 OC4H8 AB4C8 -110.46 3.65 -10.09 0.76 0
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146620 53718879 1 O4C13H22 A4B13C22 -197.51 5.73 -10.28 0.3 0
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146621 53718880 1 O3C25H40 A3B25C40 -164.16 1.72 -9.8 -0.05 0
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146622 53718906 2 NO2C14H15 AB2C14D15 -88.25 12.03 -8.1 -0.89 0
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146623 53719442 1 N2O3C28H34 A2B3C28D34 -73.67 7.68 -8.34 -0.82 0
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146624 53719467 1 N2H10C13 A2B10C13 79.9 2.43 -8.39 -0.58 0
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146625 53719508 1 O2C15H16 A2B15C16 -41.71 2.88 -8.59 -0.05 0
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146626 53719722 1 NOF5H16C20 ABC5D16E20 -208.44 4.53 -9.44 -0.79 0
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146627 53719735 1 N2O3C17H22 A2B3C17D22 -89.72 2.54 -8.44 -0.01 0
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146628 53719791 1 S2O4C7H12 A2B4C7D12 -188.54 4.16 -9.96 -0.74 0
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146629 53719891 1 OSF3H7C8 ABC3D7E8 -170.84 3.26 -9.37 -0.8 0
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146630 53719892 2 H3C4 A3B4 150.08 3.73 -8.36 -1.31 0
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146631 53720103 1 FOH13C18 ABC13D18 -8.31 1.72 -8.93 -0.37 0
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146632 53721244 2 NO3H5C6 AB3C5D6 -148.87 6.19 -9.84 -1.84 0
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146633 53721249 1 ClN2O5H13C17 AB2C5D13E17 -82.57 3.59 -9.81 -1.64 0
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146634 53721357 1 SN2O3H26C27 AB2C3D26E27 -20.15 3.48 -8.55 -0.73 0
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146635 53721384 1 NO5F13H14C20 AB5C13D14E20 -748.15 7.45 -10.47 -1.7 0
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146636 53721605 2 NO3C9H12 AB3C9D12 -259.28 2.84 -9.74 -0.76 0
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146637 53721606 1 O2C15H20 A2B15C20 -84.0 6.09 -9.49 -0.41 0
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146638 53721670 1 NS2O5H15C20 AB2C5D15E20 -105.46 6.23 -9.39 -1.37 0
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146639 53721671 1 O3Cl4H16C22 A3B4C16D22 -53.02 3.3 -8.9 -0.68 0
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146640 53722002 1 PN4O4C9H17 AB4C4D9E17 -191.91 5.24 -10.01 -0.51 0
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146641 53722357 1 ON3C15H19 AB3C15D19 -3.4 5.54 -8.88 -0.18 0
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146642 53722548 1 SO2N6C21H24 AB2C6D21E24 28.16 9.31 -8.56 -0.98 0
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146643 53722848 1 N3O5C7H7 A3B5C7D7 -147.74 3.15 -9.49 -1.68 0
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146644 53723084 1 N3O3C7H7 A3B3C7D7 -70.17 5.86 -10.2 -1.75 0
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146645 53723175 1 N2S2O3C22H28 A2B2C3D22E28 -80.3 2.23 -8.4 -0.13 0
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146646 53723176 1 SN2O2H18C19 AB2C2D18E19 -18.68 6.42 -8.61 -0.78 0
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146647 53723309 1 N3O5C16H17 A3B5C16D17 -104.07 3.4 -8.75 -1.42 0
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146648 53724174 1 O4C19H28 A4B19C28 -162.39 3.0 -10.05 0.39 0
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146649 53724175 1 N2O3C33H52 A2B3C33D52 -134.48 5.06 -8.25 -0.27 0
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146650 53724176 1 O11C14H20 A11B14C20 -462.49 3.85 -10.4 -0.87 0
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146651 53724582 1 S3O6N9C17H17 A3B6C9D17E17 -52.22 9.9 -8.64 -1.07 0
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146652 53724697 1 O5N6C24H44 A5B6C24D44 -251.66 6.49 -9.52 0.19 0
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146653 53724698 1 N2O2C11H14 A2B2C11D14 -56.68 1.85 -8.89 -0.22 1
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146654 53725588 1 NOC20H26 ABC20D26 18.57 2.86 0.0 0.0 0
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146655 53726044 1 NO5H19C21 AB5C19D21 -135.3 6.76 -8.71 -0.74 0
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146656 53726136 1 NOSH13C14 ABCD13E14 60.67 3.34 -8.67 -0.84 0
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146657 53726840 1 OSCl2N5C16H17 ABC2D5E16F17 24.35 4.53 -8.89 -1.11 0
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146658 53727034 1 NSO3C16H17 ABC3D16E17 -89.93 6.38 -8.26 -0.95 0
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146659 53727111 1 NO3C7H11 AB3C7D11 -121.19 2.98 -10.11 0.45 0
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146660 53727195 1 O2N3C20H21 A2B3C20D21 71.02 6.19 -5.63 -1.59 0
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146661 53727196 2 NC7H10 AB7C10 25.52 4.72 -7.89 0.06 0
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146662 53727197 1 NO3C21H27 AB3C21D27 -79.98 2.04 -8.31 0.05 0
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146663 53727427 1 O8C25H44 A8B25C44 -436.6 2.07 -10.61 0.46 0
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146664 53727481 1 ClSN2O5C19H23 ABC2D5E19F23 -145.55 7.81 -8.96 -0.13 0
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146665 53727482 3 OC7H8 AB7C8 -79.77 0.93 -8.6 -0.32 1
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146666 53727798 1 O2N8C39H73 A2B8C39D73 -158.71 3.0 0.0 0.0 0