List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
289600 104359971 1 ClNOC16H22 ABCD16E22 -46.56 3.53 -8.69 -0.06 0
289601 104360002 1 BrNO2C12H16 ABC2D12E16 -70.43 3.09 -8.87 -0.18 0
289602 104360014 1 FNOBr2H12C15 ABCD2E12F15 -33.03 5.01 -8.69 -0.49 0
289603 104360027 1 BrON2C17H19 ABC2D17E19 12.5 2.38 -7.58 -0.21 0
289604 104360036 1 BrNO2C17H18 ABC2D17E18 -30.62 3.06 -8.76 -0.13 0
289605 104360086 1 BrN2O2C13H17 AB2C2D13E17 -69.48 4.54 -8.88 -0.19 0
289606 104360106 1 ClNOBr2H12C15 ABCD2E12F15 -1.66 5.19 -8.64 -0.5 0
289607 104360171 1 NBr2O2H15C16 AB2C2D15E16 -28.42 2.34 -8.24 -0.34 0
289608 104360221 1 ClNO3C14H18 ABC3D14E18 -127.71 5.59 -8.82 -0.22 0
289609 104360226 1 BrN2O2C14H17 AB2C2D14E17 -63.55 3.86 -8.72 -0.04 0
289610 104360232 1 ClON2C11H15 ABC2D11E15 -25.42 2.51 -8.76 -0.15 0
289611 104360233 1 BrON2C11H15 ABC2D11E15 -13.73 2.5 -8.84 -0.15 0
289612 104360265 1 ClNO2C17H24 ABC2D17E24 -97.73 3.15 -8.8 -0.17 0
289613 104360326 1 BrSN2O3C14H21 ABC2D3E14F21 -114.28 4.66 -8.87 -0.15 0
289614 104360331 1 ClNOC16H24 ABCD16E24 -61.49 3.86 -8.71 -0.09 0
289615 104360333 1 BrNOSC12H16 ABCDE12F16 -16.64 3.61 -8.57 -0.15 0
289616 104360400 1 BrNO2C15H20 ABC2D15E20 -79.01 2.29 -8.74 -0.03 0
289617 104360592 1 BrON2C16H17 ABC2D16E17 13.1 6.07 -8.92 -0.24 0
289618 104360611 1 ClON2C17H19 ABC2D17E19 -2.78 5.47 -7.9 -0.28 0
289619 104360641 1 BrON3C14H16 ABC3D14E16 29.06 3.56 -8.73 -0.02 0
289620 104360678 1 ClNO2C16H22 ABC2D16E22 -91.52 5.6 -8.81 -0.2 0
289621 104360802 1 ClOSN2C15H19 ABCD2E15F19 -20.66 7.83 -8.54 -0.16 0
289622 104360903 1 BrClO3H12C16 ABC3D12E16 -63.05 5.38 -9.09 -0.81 0
289623 104360948 1 ClNSO4C14H16 ABCD4E14F16 -157.81 7.87 -8.93 -0.54 0
289624 104361014 1 ClN2O2H15C16 AB2C2D15E16 -21.38 6.79 -9.03 -0.52 0
289625 104361080 1 ClNOSC13H18 ABCDE13F18 -39.11 3.71 -8.44 -0.2 0
289626 104361353 1 BrCl2O2H13C16 AB2C2D13E16 -52.01 4.07 -8.98 -0.46 0
289627 104361488 1 ClO2C14H17 AB2C14D17 -88.02 3.06 -8.73 -0.16 0
289628 104361511 1 BrNOC13H18 ABCD13E18 -33.77 3.08 -8.66 0.0 0
289629 104361559 1 BrNOC17H24 ABCD17E24 -45.92 2.97 -8.63 -0.12 0
289630 104361724 1 BrNO3C15H18 ABC3D15E18 -108.15 5.46 -8.95 -0.26 0
289631 104361808 1 ClO3H15C17 AB3C15D17 -94.75 6.17 -8.97 -0.34 0
289632 104361861 1 BrON3C16H24 ABC3D16E24 -9.75 3.23 -8.59 -0.06 0
289633 104361966 1 ClON2C16H23 ABC2D16E23 -41.75 4.1 -8.65 -0.1 0
289634 104362010 1 ClNO2C15H16 ABC2D15E16 -55.45 5.44 -8.82 -0.52 0
289635 104362105 1 BrO2H17C18 AB2C17D18 -51.22 3.79 -8.8 -0.11 0
289636 104362191 1 ClO2H15C16 AB2C15D16 -53.98 3.13 -8.72 -0.12 0
289637 104362359 1 ClO3C14H19 AB3C14D19 -135.31 3.22 -8.8 -0.25 0
289638 104362416 1 BrO4C15H21 AB4C15D21 -169.84 5.71 -8.83 -0.19 0
289639 104362477 1 BrNO2C15H20 ABC2D15E20 -88.9 2.38 -8.75 -0.04 0
289640 104362494 1 ClNO2C15H20 ABC2D15E20 -90.1 2.66 -8.66 -0.03 0
289641 104362542 1 BrO2C18H25 AB2C18D25 -102.56 3.9 -8.66 0.07 0
289642 104362563 1 BrNO2C15H20 ABC2D15E20 -77.95 5.03 -8.84 -0.18 0
289643 104362568 1 NO2Br3H12C15 AB2C3D12E15 -26.1 4.04 -8.81 -1.08 0
289644 104362926 1 ClNO3C16H20 ABC3D16E20 -107.09 6.69 -8.7 -0.18 0
289645 104363163 1 BrNO3C16H22 ABC3D16E22 -116.52 4.15 -8.6 -0.21 0
289646 104363205 1 ClFNO2H13C15 ABCD2E13F15 -89.99 3.71 -8.67 -0.64 0
289647 104363218 1 ClN2O2C15H15 AB2C2D15E15 -42.88 3.94 -8.63 -0.57 0
289648 104363385 1 BrNOC15H22 ABCD15E22 -40.58 4.0 -8.74 -0.1 0
289649 104363394 1 BrNOC18H26 ABCD18E26 -49.31 3.16 -8.61 0.05 0