List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
137712 52247860 1 SN2O4C21H29 AB2C4D21E29 -104.2 6.18 0.0 0.0 0
137713 52247903 1 N3O3C21H31 A3B3C21D31 -132.33 6.51 -8.48 -0.35 0
137714 52248913 1 ON2C20H32 AB2C20D32 -64.41 3.81 -8.58 0.31 1
137715 52248914 1 SN2O3C18H29 AB2C3D18E29 -102.17 4.33 0.0 0.0 0
137716 52248915 1 SN2O3C18H28 AB2C3D18E28 -126.31 8.73 -8.69 -0.93 1
137717 52248938 1 N2O2C22H35 A2B2C22D35 -91.1 10.37 0.0 0.0 1
137718 52249581 1 O2N3C24H40 A2B3C24D40 -107.19 3.12 0.0 0.0 0
137719 52249921 1 NCl2S2O4C12H15 AB2C2D4E12F15 -166.16 5.26 -9.84 -1.11 0
137720 52250258 1 FSN3O4C16H18 ABC3D4E16F18 -70.03 4.19 -9.18 -1.76 0
137721 52251480 1 O2N5C24H27 A2B5C24D27 3.57 3.12 -7.98 -0.44 0
137722 52251665 1 O2N3C24H27 A2B3C24D27 6.79 5.87 -8.94 -0.24 0
137723 52251989 1 O2N6H20C21 A2B6C20D21 36.07 8.58 -8.74 -1.07 0
137724 52253120 1 ClSN2O2F3C12H12 ABC2D2E3F12G12 -234.08 7.8 -9.46 -1.1 0
137725 52253421 1 SO2N3C19H23 AB2C3D19E23 -39.6 3.0 -9.17 -0.55 1
137726 52253893 1 N3O4C20H26 A3B4C20D26 -32.81 11.67 0.0 0.0 0
137727 52253961 1 N2O3H18C20 A2B3C18D20 -70.98 3.5 -8.54 -1.4 0
137728 52254496 1 O3N5C19H25 A3B5C19D25 -85.21 8.1 -9.14 -0.3 0
137729 52254532 1 O2N4C15H18 A2B4C15D18 -30.19 4.99 -8.85 -0.01 0
137730 52254533 1 O2N4C15H18 A2B4C15D18 -30.15 4.92 -8.86 0.04 0
137731 52254660 1 ClO2N4C21H21 AB2C4D21E21 -26.87 5.56 -8.61 -0.7 0
137732 52255033 1 O2N4H20C23 A2B4C20D23 14.53 7.62 -8.97 -1.09 0
137733 52255083 2 N2O2C11H12 A2B2C11D12 -140.55 7.96 -8.81 -0.22 0
137734 52255121 1 ClO3N5C14H16 AB3C5D14E16 -17.4 11.02 -8.29 -0.24 0
137735 52255250 1 ClOSN3C19H20 ABCD3E19F20 38.3 5.95 -9.12 -0.7 0
137736 52255266 1 ClO3N4C19H25 AB3C4D19E25 -83.55 2.56 -9.38 -0.27 1
137737 52255267 1 ClO3N4C19H26 AB3C4D19E26 -77.05 3.24 0.0 0.0 0
137738 52255427 1 ClSO2N4C18H21 ABC2D4E18F21 -38.35 4.55 -9.17 -0.89 0
137739 52255761 1 ClO3N4C16H21 AB3C4D16E21 -130.3 3.02 -9.18 -0.67 0
137740 52255973 1 FO3N4C19H21 AB3C4D19E21 -90.73 3.99 -8.99 -0.95 0
137741 52256017 1 N2O3C19H26 A2B3C19D26 -102.76 5.41 -8.69 -0.61 1
137742 52256166 1 ON3C19H32 AB3C19D32 -24.36 4.67 0.0 0.0 0
137743 52256188 1 SN2O3H18C19 AB2C3D18E19 -46.37 5.67 -8.64 -1.03 0
137744 52256406 1 FN3O3C17H24 AB3C3D17E24 -178.99 2.84 -9.69 -0.67 0
137745 52256407 1 FON2C18H21 ABC2D18E21 -63.47 2.95 -8.82 -0.38 -1
137746 52256687 1 O2N4C19H23 A2B4C19D23 -2.53 5.81 0.0 0.0 0
137747 52256688 1 O2N4C19H24 A2B4C19D24 -26.3 6.04 -9.36 -1.32 -1
137748 52256689 1 O2N4C19H23 A2B4C19D23 -2.03 5.98 0.0 0.0 0
137749 52256954 1 ClSO3N5C17H22 ABC3D5E17F22 -76.92 4.91 -9.74 -0.8 0
137750 52256955 1 ClSO3N5C17H22 ABC3D5E17F22 -72.87 4.81 -9.63 -0.88 0
137751 52257312 1 O2N4C17H24 A2B4C17D24 -45.6 4.57 -9.06 0.08 0
137752 52257350 1 OF3N4C14H15 AB3C4D14E15 -148.23 4.01 -10.16 -0.71 0
137753 52257351 1 OCl2N4C13H14 AB2C4D13E14 -3.04 5.07 -9.86 -0.65 0
137754 52257352 1 OCl2N4C13H14 AB2C4D13E14 -2.86 4.87 -9.82 -0.59 0
137755 52257693 2 NO2C10H13 AB2C10D13 -127.41 5.6 -8.72 -0.05 0
137756 52257694 2 NOC10H13 ABC10D13 -71.31 5.3 -8.85 0.01 -1
137757 52258135 1 ClSO2N4C18H18 ABC2D4E18F18 16.23 8.03 0.0 0.0 0
137758 52258317 1 N3O4C18H19 A3B4C18D19 -79.08 10.28 -9.08 -0.51 0
137759 52258318 1 ON3C17H17 AB3C17D17 14.62 8.38 -9.17 -0.6 0
137760 52258434 1 FN2O2C16H17 AB2C2D16E17 -94.56 5.17 -8.85 -0.33 0
137761 52258593 1 ClFO2N3H15C17 ABC2D3E15F17 -58.78 4.17 -9.09 -0.71 0
137762 52258695 1 ON6C21H30 AB6C21D30 4.09 3.56 -8.46 -0.03 0
137763 52258696 1 FON2C20H25 ABC2D20E25 -68.72 4.4 -8.91 -0.33 0
137764 52258697 1 FON2C20H25 ABC2D20E25 -69.82 2.63 -8.9 -0.15 0
137765 52258810 1 SO3N4H14C17 AB3C4D14E17 5.52 5.06 -9.59 -1.24 0
137766 52259371 1 FN3O4H16C18 AB3C4D16E18 -97.7 6.36 -10.13 -1.25 0
137767 52259478 1 FSN2O5H13C15 ABC2D5E13F15 -120.51 6.92 -9.68 -1.7 0
137768 52259479 1 FN2O4H9C14 AB2C4D9E14 -40.7 6.89 -9.92 -1.56 0
137769 52259480 1 BrFSN2O4H14C15 ABCD2E4F14G15 -69.71 5.65 -9.52 -1.71 0
137770 52259481 1 F3N3O6H12C17 A3B3C6D12E17 -184.64 4.6 -9.3 -1.79 0
137771 52259482 1 FN2O5H17C18 AB2C5D17E18 -128.96 9.26 -9.41 -1.49 0
137772 52259483 1 FN2O6H15C17 AB2C6D15E17 -151.34 4.93 -9.04 -1.63 0
137773 52259484 1 FN2O6H15C17 AB2C6D15E17 -150.8 3.84 -8.96 -1.73 0
137774 52259485 1 FN2O5C19H19 AB2C5D19E19 -134.17 10.12 -9.39 -1.5 0
137775 52259486 1 BrFN2O4H14C16 ABC2D4E14F16 -84.13 4.97 -9.86 -1.69 0
137776 52259487 1 BrFN2O4H14C16 ABC2D4E14F16 -84.21 3.97 -9.86 -1.71 0
137777 52259545 1 N2O5C19H20 A2B5C19D20 -83.06 5.04 -8.4 -1.46 0
137778 52260340 2 ClON2C8H8 ABC2D8E8 -49.62 6.09 -8.81 -1.48 0
137779 52260709 1 S2N3O3C16H19 A2B3C3D16E19 -78.91 4.83 -8.98 -1.08 0
137780 52260710 1 S2N3O3C16H19 A2B3C3D16E19 -76.46 4.55 -9.22 -1.3 0
137781 52260868 1 OS2N3C16H23 AB2C3D16E23 -0.85 3.82 -7.94 0.02 0
137782 52261088 1 ON2C19H22 AB2C19D22 -12.41 3.75 -8.49 0.04 0
137783 52261447 1 BrON3C16H24 ABC3D16E24 -32.13 5.8 -8.93 -0.93 1
137784 52262019 1 ON4C23H33 AB4C23D33 0.41 4.46 0.0 0.0 0
137785 52262021 1 N2O3C16H24 A2B3C16D24 -116.49 4.5 -9.27 0.0 1
137786 52262135 1 ClSN3O3C17H27 ABC3D3E17F27 -108.92 4.03 0.0 0.0 0
137787 52262880 1 Cl2O3N5H15C17 A2B3C5D15E17 -35.64 2.41 -9.56 -1.77 0
137788 52263190 1 SN2O3C19H32 AB2C3D19E32 -123.38 4.81 -8.91 0.22 -1
137789 52263507 1 SO3N4C20H21 AB3C4D20E21 -12.61 5.67 0.0 0.0 0
137790 52263508 1 SO3N4C20H22 AB3C4D20E22 -46.06 5.17 -8.65 -0.87 0
137791 52263509 1 SO3N4C20H22 AB3C4D20E22 -45.91 4.78 -8.58 -0.69 0
137792 52263510 1 O3N4C20H24 A3B4C20D24 -62.54 6.93 -8.8 -0.46 0
137793 52263511 1 N3O3H15C16 A3B3C15D16 -38.98 3.92 -8.75 -0.64 0
137794 52263913 1 N3O4C17H27 A3B4C17D27 -167.75 3.94 -8.9 -0.17 0
137795 52264447 1 N2O5C21H24 A2B5C21D24 -177.29 8.29 -9.23 -0.8 0
137796 52264566 1 O3N4H18C19 A3B4C18D19 -23.27 4.75 -8.84 -0.81 0
137797 52264567 1 ClSO2N3H12C16 ABC2D3E12F16 6.24 2.59 -8.74 -1.47 0
137798 52264568 1 O3N4H16C21 A3B4C16D21 1.37 2.02 -8.91 -1.19 0
137799 52264649 1 N3O4H13C14 A3B4C13D14 -36.0 4.1 -9.06 -1.67 0
137800 52264650 1 SO2N4H16C19 AB2C4D16E19 42.95 3.67 -8.68 -0.98 0
137801 52264651 1 SN3O3H15C18 AB3C3D15E18 -31.96 6.91 -8.63 -1.15 0
137802 52264652 1 FO2N5H14C16 AB2C5D14E16 -16.97 5.66 -8.66 -1.04 0
137803 52264653 1 F3O3N4H17C20 A3B3C4D17E20 -184.03 5.04 -8.93 -1.26 0
137804 52264654 1 N2O3C20H22 A2B3C20D22 -87.65 2.44 -8.69 -0.26 0
137805 52264655 1 ClSO2N3H14C17 ABC2D3E14F17 -7.5 2.45 -8.78 -1.6 0
137806 52264656 1 FN3O3H14C15 AB3C3D14E15 -114.46 2.46 -8.75 -0.72 0
137807 52264657 1 SO2N3H15C17 AB2C3D15E17 5.67 5.34 -8.65 -1.2 0
137808 52264658 1 N2O3H18C20 A2B3C18D20 -35.84 3.5 -8.78 -0.46 0
137809 52265066 1 FO2N5C19H22 AB2C5D19E22 -72.05 4.4 -9.18 -0.4 0
137810 52265382 1 O2N3C15H23 A2B3C15D23 -71.22 2.69 -8.32 0.39 1
137811 52265500 1 ON4C20H27 AB4C20D27 -10.73 3.66 0.0 0.0 0