List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
39853 8142575 1 N3O5C17H19 A3B5C17D19 -179.17 8.99 -9.24 -0.87 0
39854 8142577 1 Cl2N2O2H12C15 A2B2C2D12E15 -41.39 3.61 -8.45 -0.36 0
39855 8142579 1 NO6C24H31 AB6C24D31 -257.43 3.82 -8.72 0.16 0
39856 8142580 1 NO6C24H31 AB6C24D31 -246.31 3.89 -8.84 -0.03 0
39857 8142582 1 ON2S2C20H24 AB2C2D20E24 0.52 7.85 -8.23 -1.24 0
39858 8142583 1 SN4O4H16C20 AB4C4D16E20 -85.27 8.77 -9.1 -1.64 1
39859 8142586 1 ON4C23H29 AB4C23D29 37.65 4.36 0.0 0.0 0
39860 8142587 1 ON4C23H28 AB4C23D28 19.32 2.42 -8.3 -0.01 0
39861 8142588 2 ClNC6H6 ABC6D6 19.48 4.15 -8.91 -0.82 1
39862 8142589 1 OSN3C21H24 ABC3D21E24 42.81 13.49 0.0 0.0 0
39863 8142590 1 OSN3C21H23 ABC3D21E23 31.47 2.53 -8.85 -0.57 1
39864 8142593 1 O2N4C22H31 A2B4C22D31 -20.27 3.46 0.0 0.0 0
39865 8142596 1 O2S2N3C18H29 A2B2C3D18E29 -89.46 6.52 -8.12 -0.32 0
39866 8142599 1 N2O5C14H16 A2B5C14D16 -162.65 2.24 -9.6 -0.23 0
39867 8142602 1 O2N3C13H19 A2B3C13D19 -56.26 2.73 -9.15 0.28 1
39868 8142603 1 NO3C20H22 AB3C20D22 -63.14 1.91 0.0 0.0 1
39869 8142605 1 FSN3O3C21H27 ABC3D3E21F27 -108.89 5.17 0.0 0.0 0
39870 8142612 1 N2O3C20H30 A2B3C20D30 -103.13 5.55 -8.71 -0.42 2
39871 8142623 1 FO2N4C23H31 AB2C4D23E31 -84.74 1.62 -8.42 -0.09 0
39872 8142630 2 ON2C10H11 AB2C10D11 -32.04 1.62 -9.07 -0.84 0
39873 8142631 2 N2O3C10H11 A2B3C10D11 -158.07 6.44 -9.52 -0.56 1
39874 8142632 1 O3N4C23H31 A3B4C23D31 -84.1 6.13 0.0 0.0 0
39875 8142646 1 ClN3O3C21H26 AB3C3D21E26 -93.94 6.69 -8.73 -0.39 1
39876 8142648 1 OSN3C21H26 ABC3D21E26 34.74 3.56 0.0 0.0 0
39877 8142664 1 SN3O3C23H31 AB3C3D23E31 -98.23 4.0 -8.97 -0.52 0
39878 8142666 1 FSN3O3C21H26 ABC3D3E21F26 -126.67 2.34 -9.03 -0.95 0
39879 8142672 1 O2N3C22H29 A2B3C22D29 -34.48 4.51 -8.65 0.18 1
39880 8142673 1 O2N3C21H28 A2B3C21D28 -22.82 5.06 0.0 0.0 1
39881 8142675 1 ClON3C21H27 ABC3D21E27 9.28 7.5 0.0 0.0 1
39882 8142691 1 ON5C19H26 AB5C19D26 38.17 2.67 0.0 0.0 0
39883 8142703 1 OSN3C20H23 ABC3D20E23 19.8 4.87 -8.58 -0.36 1
39884 8142724 1 N3C10H16 A3B10C16 24.5 1.36 0.0 0.0 1
39885 8142744 1 N2O3C14H21 A2B3C14D21 -108.07 4.88 0.0 0.0 0
39886 8142745 1 N2O3C14H20 A2B3C14D20 -119.35 4.11 -9.22 0.18 1
39887 8142753 1 O2N3C22H30 A2B3C22D30 -43.34 5.23 0.0 0.0 0
39888 8142758 1 SN3O3C22H31 AB3C3D22E31 -100.22 8.13 -9.19 -0.48 0
39889 8143146 1 ClON3C20H22 ABC3D20E22 4.57 8.4 -9.06 -0.47 1
39890 8143147 1 O2N4C23H27 A2B4C23D27 -10.5 9.4 0.0 0.0 0
39891 8143148 1 O2N4C23H26 A2B4C23D26 -23.54 7.68 -8.86 -0.46 1
39892 8143149 1 ON3C21H26 AB3C21D26 20.7 8.58 0.0 0.0 0
39893 8143150 1 ON3C21H25 AB3C21D25 4.97 7.73 -9.0 -0.41 1
39894 8143157 1 ClON4C23H24 ABC4D23E24 48.51 5.11 0.0 0.0 1
39895 8143159 1 ON4C21H23 AB4C21D23 66.04 8.31 0.0 0.0 0
39896 8143160 1 ON4C21H22 AB4C21D22 43.24 3.66 -9.3 -0.75 1
39897 8143161 1 O2N4C22H33 A2B4C22D33 -56.61 8.22 0.0 0.0 0
39898 8143162 2 ON2C11H16 AB2C11D16 -72.11 6.07 -9.13 -0.61 0
39899 8143163 1 NS2O4C12H13 AB2C4D12E13 -135.93 2.92 -8.97 -0.77 1
39900 8143164 1 O3N5C22H26 A3B5C22D26 -54.7 11.7 0.0 0.0 0
39901 8143166 1 Cl2O3H18C21 A2B3C18D21 -102.54 2.74 -8.76 -0.31 0
39902 8143173 1 PCl2N3C20H32 AB2C3D20E32 -67.3 9.27 -7.55 0.55 1
39903 8143175 1 O3N5C19H28 A3B5C19D28 -91.6 8.75 0.0 0.0 0
39904 8143176 1 O3N5C19H27 A3B5C19D27 -106.42 8.87 -8.93 -0.36 0
39905 8143177 1 ON2C22H28 AB2C22D28 0.2 5.28 -9.1 0.17 0
39906 8143178 1 ON2C22H28 AB2C22D28 -7.23 3.62 -9.16 0.11 0
39907 8143180 1 O3N5C23H27 A3B5C23D27 -70.92 8.17 -9.19 -0.59 0
39908 8143181 1 ClNF3O3H17C18 ABC3D3E17F18 -253.9 1.49 -8.84 -0.41 0
39909 8143182 1 ClNF3O3H17C18 ABC3D3E17F18 -253.74 3.85 -9.04 -0.37 0
39910 8143185 1 ON3C15H25 AB3C15D25 -38.06 3.9 -9.07 0.62 1
39911 8143191 1 O3N5C19H28 A3B5C19D28 -79.24 6.43 0.0 0.0 1
39912 8143194 1 O3N5C20H30 A3B5C20D30 -97.5 12.0 0.0 0.0 0
39913 8143195 1 O3N5C20H29 A3B5C20D29 -118.4 6.27 -9.21 -0.61 0
39914 8143197 1 FO2N4C22H25 AB2C4D22E25 -78.47 8.06 -9.29 -0.97 0
39915 8143200 1 PN2O3C22H27 AB2C3D22E27 -154.57 3.87 -8.79 0.02 1
39916 8143201 1 N4O4C19H21 A4B4C19D21 -2.33 3.19 0.0 0.0 0
39917 8143202 1 N4O4C19H20 A4B4C19D20 -18.84 6.51 -9.34 -1.5 1
39918 8143209 1 ClO2N3C19H21 AB2C3D19E21 -6.23 8.72 0.0 0.0 0
39919 8143210 1 ClO2N3C19H20 AB2C3D19E20 -20.15 5.78 -9.23 -0.74 0
39920 8143213 1 N5O5H11C15 A5B5C11D15 34.9 9.2 -9.46 -2.1 1
39921 8143214 1 O2N3C20H24 A2B3C20D24 -6.85 8.85 0.0 0.0 0
39922 8143215 1 O2N3C20H23 A2B3C20D23 -21.25 8.43 -9.04 -0.44 1
39923 8143216 1 O3N5C22H30 A3B5C22D30 -45.95 5.34 0.0 0.0 0
39924 8143217 1 O3N5C22H29 A3B5C22D29 -63.36 11.17 -8.97 -0.4 1
39925 8143219 1 ClO2N4C22H22 AB2C4D22E22 24.33 10.0 0.0 0.0 0
39926 8143220 1 ClO2N4H21C22 AB2C4D21E22 8.24 6.42 -9.4 -1.18 0
39927 8143221 1 N2O3C11H16 A2B3C11D16 -116.43 6.15 -10.11 -1.1 0
39928 8143223 1 SO3N4C20H20 AB3C4D20E20 18.23 8.46 -9.3 -1.33 0
39929 8143224 2 NO2C12H16 AB2C12D16 -119.29 3.71 -8.16 -0.55 -1
39930 8143225 1 N2O3H19C20 A2B3C19D20 -35.53 9.58 0.0 0.0 1
39931 8143226 1 O3N4C22H23 A3B4C22D23 24.45 8.57 0.0 0.0 0
39932 8143227 1 O3N4C22H22 A3B4C22D22 12.53 9.94 -9.2 -1.0 0
39933 8143228 1 ON2C25H30 AB2C25D30 -6.2 2.15 -8.17 -0.18 1
39934 8143229 1 O4N5C21H24 A4B5C21D24 -78.39 5.26 0.0 0.0 0
39935 8143230 1 O4N5C21H23 A4B5C21D23 -101.8 2.21 -9.06 -0.76 1
39936 8143231 1 O3N4C17H21 A3B4C17D21 -11.18 7.77 0.0 0.0 0
39937 8143232 1 O3N4C17H20 A3B4C17D20 -27.51 6.63 -9.11 -0.54 0
39938 8143233 1 SN2C24H26 AB2C24D26 59.77 2.83 -8.18 -0.22 0
39939 8143234 2 ON3C5H6 AB3C5D6 52.77 6.85 -9.01 -0.73 0
39940 8143235 1 OSCl2N2H14C20 ABC2D2E14F20 44.17 0.89 -8.73 -1.74 0
39941 8143237 1 O4N5C18H25 A4B5C18D25 -135.79 8.83 -8.91 -0.34 0
39942 8143238 1 OSCl2N2H12C19 ABC2D2E12F19 53.66 0.56 -8.69 -1.74 1
39943 8143239 1 O3N6C20H27 A3B6C20D27 -35.75 12.13 0.0 0.0 1
39944 8143241 1 O4N5C19H28 A4B5C19D28 -124.47 7.25 0.0 0.0 0
39945 8143242 1 O4N5C19H27 A4B5C19D27 -147.77 8.2 -8.91 -0.35 0
39946 8143244 1 SN3O3H19C20 AB3C3D19E20 -31.32 5.93 -9.22 -1.35 1
39947 8143245 1 FO3N4C22H26 AB3C4D22E26 -97.77 5.66 0.0 0.0 0
39948 8143247 1 SN3H21C25 AB3C21D25 120.52 2.87 -8.33 -1.09 0
39949 8143248 1 ClSN4H11C16 ABC4D11E16 134.07 4.43 -8.53 -1.08 0
39950 8143250 1 O3N5C23H29 A3B5C23D29 -56.75 7.78 -8.28 -0.89 1
39951 8143252 1 O4N5C19H28 A4B5C19D28 -123.32 9.14 0.0 0.0 1
39952 8143257 1 N4O4C23H25 A4B4C23D25 -50.43 5.86 0.0 0.0 0