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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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17617 507865 1 FN4O4H25C29 AB4C4D25E29 -106.94 5.07 -9.23 -1.17 0
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17618 507943 1 FO3N7H24C27 AB3C7D24E27 -34.5 3.87 -8.62 -1.23 0
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17619 507944 1 FO3N6H21C27 AB3C6D21E27 -20.03 8.53 -9.16 -1.56 0
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17620 507945 1 FO3N8H23C26 AB3C8D23E26 13.15 7.63 -9.17 -1.36 0
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17621 507946 1 FO4N6H21C24 AB4C6D21E24 -58.28 6.21 -9.16 -1.26 0
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17622 507947 1 FO4N6C28H29 AB4C6D28E29 -82.72 8.16 -9.01 -1.12 0
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17623 507959 1 FO4N7H20C23 AB4C7D20E23 -49.05 9.8 -9.1 -1.23 0
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17624 508035 2 NOC9H13 ABC9D13 -75.46 7.45 -8.89 -0.81 0
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17625 508305 1 SN5O6C36H43 AB5C6D36E43 -186.67 7.23 -9.2 -1.21 0
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17626 508370 1 N2O6C27H30 A2B6C27D30 -187.47 5.81 -9.32 -0.15 0
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17627 508382 1 FCl2N3H18C19 AB2C3D18E19 -1.37 6.39 -9.02 -0.78 0
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17628 508383 1 Cl2O2N4H18C19 A2B2C4D18E19 43.17 6.69 -9.15 -1.8 0
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17629 508422 1 NO2C23H27 AB2C23D27 -47.74 5.68 -9.13 -1.34 0
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17630 508462 1 NSO3C13H25 ABC3D13E25 -152.03 1.94 -10.82 -0.68 0
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17631 508468 1 FN3P3C9O13H15 AB3C3D9E13F15 -782.07 3.43 -9.77 -0.71 0
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17632 508550 1 S2N3O7C32H41 A2B3C7D32E41 -257.42 4.15 -9.56 -0.65 0
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17633 509048 1 ClO2F3N7H23C26 AB2C3D7E23F26 -94.46 5.1 -8.93 -1.37 0
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17634 509159 1 SN3H16C21 AB3C16D21 97.09 1.47 0.0 0.0 1
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17635 509312 1 S2O3N5H17C18 A2B3C5D17E18 -4.18 11.19 -8.67 -1.4 0
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17636 509364 1 SO2N6C20H20 AB2C6D20E20 42.53 4.7 -8.8 -0.98 0
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17637 509377 1 OS2N5H13C16 AB2C5D13E16 91.67 1.65 -8.62 -1.73 0
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17638 509399 1 SO2N5C24H43 AB2C5D24E43 -110.0 2.72 -8.16 -0.16 0
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17639 509424 1 IOS2N4C13H15 ABC2D4E13F15 43.44 2.29 -8.36 -1.42 0
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17640 509446 1 BrOSN4C19H19 ABCD4E19F19 58.43 6.52 -8.93 -1.18 0
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17641 509465 1 O6H20C21 A6B20C21 -151.78 6.39 -8.54 -1.11 0
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17642 509527 1 FSN3O9C25H30 ABC3D9E25F30 -383.15 11.24 -9.44 -1.09 0
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17643 509612 1 S2N5O8C33H43 A2B5C8D33E43 -281.4 13.88 -9.33 -1.57 0
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17644 509613 1 S2N5O8C32H41 A2B5C8D32E41 -293.06 16.49 -9.3 -1.35 0
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17645 509614 1 S2N5O8C33H43 A2B5C8D33E43 -294.81 15.48 -9.27 -1.3 0
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17646 509615 1 S2N5O8C32H45 A2B5C8D32E45 -256.32 6.96 -9.34 -1.4 0
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17647 509664 1 S2N5O5C32H39 A2B5C5D32E39 -154.59 8.51 -8.6 -1.04 0
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17648 509734 1 S3N5O6C28H33 A3B5C6D28E33 -165.85 2.76 -9.45 -1.26 0
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17649 509765 1 SO4N5H19C22 AB4C5D19E22 75.33 2.24 -9.29 -2.28 0
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17650 509766 1 OSN4C33H40 ABC4D33E40 17.93 6.3 -8.4 -0.38 0
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17651 509774 1 OSN5C20H23 ABC5D20E23 59.55 2.6 -8.48 -1.62 0
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17652 509780 1 OSCl2N4C27H40 ABC2D4E27F40 -39.22 1.94 -9.11 -1.32 0
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17653 509783 1 ClOSN4C14H23 ABCD4E14F23 -40.3 6.52 -8.92 -1.25 0
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17654 509784 1 OSN6C23H32 ABC6D23E32 5.82 9.09 -8.72 -0.61 0
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17655 509787 1 ClOSN4C21H25 ABCD4E21F25 34.13 5.87 -8.9 -1.19 0
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17656 509875 1 OSCl2N4C20H28 ABC2D4E20F28 -31.88 5.3 -8.43 -1.42 0
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17657 509967 1 OSN4C29H44 ABC4D29E44 11.36 7.51 -8.39 -0.36 0
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17658 509969 1 OSF2N4H20C24 ABC2D4E20F24 -15.11 2.66 -8.62 -1.42 0
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17659 510133 1 PN3O7C11H18 AB3C7D11E18 -369.69 2.14 -9.7 -0.53 0
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17660 510137 1 PN2O8C11H17 AB2C8D11E17 -410.29 6.99 -9.57 -0.41 0
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17661 510533 2 N4O4C16H25 A4B4C16D25 -346.92 6.56 -9.89 -1.04 0
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17662 510588 1 SN2O2C14H14 AB2C2D14E14 -24.97 5.87 -8.67 -0.55 0
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17663 510715 1 BrNSO6H12C16 ABCD6E12F16 -161.84 5.39 -9.81 -1.42 0
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17664 510800 2 NO2C6H6 AB2C6D6 -102.7 4.42 -9.9 -1.29 0
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17665 510860 2 O2C4H5 A2B4C5 -140.15 3.98 -10.62 -1.29 0
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17666 510879 3 O3C8H8 A3B8C8 -308.25 7.07 -8.81 -0.55 0
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17667 510938 1 ON5C8H9 AB5C8D9 60.53 1.4 -9.71 -1.86 0
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17668 511047 1 N5O11C41H61 A5B11C41D61 -317.52 9.99 -8.8 -1.2 0
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17669 511048 1 N5O11C42H63 A5B11C42D63 -342.17 8.45 -8.79 -0.51 0
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17670 511185 1 PCl3N3O6C15H21 AB3C3D6E15F21 -327.26 2.71 -9.79 -0.76 0
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17671 511221 1 PN3O8C19H22 AB3C8D19E22 -357.58 4.91 -9.65 -0.59 0
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17672 511391 1 BrClPC2H3O5 ABCD2E3F5 -252.08 3.03 -10.88 -1.66 0
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17673 511392 1 FPC3O5H6 ABC3D5E6 -324.29 3.77 -11.31 -0.14 0
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17674 511393 1 ClPC3O5H6 ABC3D5E6 -278.72 4.33 -10.91 -0.74 0
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17675 511394 1 BrPC3O5H6 ABC3D5E6 -265.6 4.84 -10.92 -1.37 0
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17676 511481 1 SCl3N5O5H12C16 AB3C5D5E12F16 4.72 5.23 -9.45 -2.37 0
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17677 511482 1 ClN3C19H20 AB3C19D20 60.99 4.94 -8.18 -0.14 0
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17678 511514 2 NOH10C12 ABC10D12 33.23 2.17 -8.7 -1.18 0
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17679 511515 1 NOC23H29 ABC23D29 -3.62 1.27 -8.51 0.08 0
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17680 511532 1 BrNS2O6C29H34 ABC2D6E29F34 -183.03 5.66 -9.17 -1.08 0
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17681 511550 1 BrS2N4O10C40H41 AB2C4D10E40F41 -189.92 2.55 -9.01 -2.4 0
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17682 511554 1 BrS2N4O7C40H49 AB2C4D7E40F49 -197.87 4.29 -8.47 -0.78 0
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17683 511616 2 NSC13H22 ABC13D22 -21.44 5.57 -8.54 -0.34 0
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17684 511672 1 OS2C8H14 AB2C8D14 -44.99 4.74 -8.88 -0.51 0
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17685 511673 1 OS2C8H12 AB2C8D12 -23.55 4.11 -8.96 -0.73 0
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17686 512024 1 BrOF3H3N3C5 ABC3D3E3F5 -151.45 6.51 -10.11 -1.39 0
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17687 512049 1 BrOCl2N3H6C10 ABC2D3E6F10 7.36 7.73 -9.76 -1.26 0
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17688 512081 1 PO5C11H17 AB5C11D17 -283.89 5.92 -10.21 -0.16 0
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17689 512165 1 IN2O4C12H15 AB2C4D12E15 -126.33 6.99 -9.09 -0.86 0
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17690 512203 1 SN3O4H11C16 AB3C4D11E16 -26.3 3.6 -8.72 -1.12 0
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17691 512219 1 O2N4C18H21 A2B4C18D21 -4.51 2.18 0.0 0.0 1
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17692 512350 1 NC17H29 AB17C29 -49.77 1.36 -8.33 2.9 0
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17693 512364 1 BrSN2H15C16 ABC2D15E16 70.05 5.58 -8.79 -0.83 0
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17694 512369 1 SCl2O2N3C18H33 AB2C2D3E18F33 -155.1 8.41 -9.42 -0.62 0
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17695 512451 1 NO3C15H15 AB3C15D15 -80.08 5.66 -8.45 -0.8 0
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17696 512577 1 ClN5C15H16 AB5C15D16 78.46 3.97 -8.56 -0.39 0
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17697 512727 1 PN4O7C11H13 AB4C7D11E13 -301.48 7.72 -8.72 -0.42 0
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17698 512740 1 O5C25H32 A5B25C32 -216.48 6.55 -9.98 -0.72 0
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17699 512853 1 SN2O3C26H40 AB2C3D26E40 -174.05 5.4 -9.14 -0.21 0
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17700 513018 1 SN2Cl3O4H17C19 AB2C3D4E17F19 -127.89 3.31 -8.9 -0.99 0
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17701 513019 1 SN2Cl3O4H17C19 AB2C3D4E17F19 -129.68 6.08 -8.82 -0.88 0
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17702 513137 1 SO5C21H32 AB5C21D32 -215.5 5.69 -8.73 -0.37 0
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17703 513526 1 N4O11C27H42 A4B11C27D42 -491.4 3.09 -10.06 -0.61 0
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17704 513586 1 SN4O15C46H50 AB4C15D46E50 -497.5 2.14 -9.33 -1.28 0
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17705 513587 1 PN4O10C14H23 AB4C10D14E23 -471.64 4.56 -10.16 -0.92 0
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17707 513655 1 S3N5O5C26H31 A3B5C5D26E31 -116.98 12.4 -9.18 -1.33 0
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17708 513902 1 O2N3H13C19 A2B3C13D19 33.5 8.57 -9.42 -1.19 0
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17709 514010 1 FSN4O5C36H49 ABC4D5E36F49 -252.31 6.77 -8.76 -0.57 0
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17710 514011 1 FSN4O5C31H41 ABC4D5E31F41 -239.55 6.99 -9.0 -0.7 0
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17711 514034 1 FSO5N6C33H41 ABC5D6E33F41 -190.87 7.62 -8.82 -0.73 0
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17712 514075 1 NO5C19H27 AB5C19D27 -139.3 5.47 -9.6 -1.05 0
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17713 514105 1 NO3H9C10 AB3C9D10 -63.1 6.03 -9.81 -0.89 0
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17714 514228 1 PN6O9C33H59 AB6C9D33E59 -478.22 10.74 -9.46 -0.3 0
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17715 514264 2 NOC11H12 ABC11D12 -38.92 9.13 -8.45 -0.78 0
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17716 514461 1 SN3O5C34H39 AB3C5D34E39 -175.97 2.41 -9.0 -0.33 0
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17717 514487 1 SN3O6C28H35 AB3C6D28E35 -225.09 1.82 -9.06 -0.28 0