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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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37853 8025115 1 ClSO2N4H15C20 ABC2D4E15F20 53.95 6.04 -9.16 -1.14 1
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37854 8025117 1 SO3N4C21H27 AB3C4D21E27 -70.39 2.98 0.0 0.0 0
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37855 8025120 1 SN3O3C18H21 AB3C3D18E21 -7.37 9.28 -8.56 -1.24 0
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37856 8025128 1 BrO3C21H23 AB3C21D23 -118.63 1.69 -9.17 -0.45 0
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37857 8025131 1 BrOSF2N2H9C15 ABCD2E2F9G15 -58.89 2.17 -9.15 -1.37 0
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37858 8025149 1 SO3N4H18C20 AB3C4D18E20 -14.48 7.34 -8.56 -1.69 0
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37859 8025154 1 NSO3C18H21 ABC3D18E21 -105.91 3.34 -9.3 -1.13 0
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37860 8025159 1 NO3C21H27 AB3C21D27 -104.62 4.07 -8.39 0.15 0
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37861 8025163 1 SO3N4C19H24 AB3C4D19E24 -72.59 3.4 -8.68 -0.42 0
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37862 8025171 1 NF2O3C19H19 AB2C3D19E19 -190.82 2.18 -8.7 -1.56 0
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37863 8025183 1 ON2C22H26 AB2C22D26 2.47 4.25 -8.75 -0.35 0
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37864 8025185 1 O3N4H16C19 A3B4C16D19 -25.59 5.17 -9.01 -0.54 1
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37865 8025186 1 O3N4C15H25 A3B4C15D25 -137.5 14.4 0.0 0.0 1
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37866 8025192 1 SO2N4C18H19 AB2C4D18E19 50.75 12.49 0.0 0.0 0
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37867 8025195 1 SN2O3C21H28 AB2C3D21E28 -93.65 3.44 -8.35 -1.45 0
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37868 8025197 1 SN2O3C19H26 AB2C3D19E26 -91.13 3.81 -8.51 -1.39 1
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37869 8025198 1 FN6C19H22 AB6C19D22 56.93 3.83 0.0 0.0 0
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37870 8025201 1 OF3N3C21H24 AB3C3D21E24 -166.66 3.5 -7.94 -0.85 0
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37871 8025204 1 SO3N4H18C20 AB3C4D18E20 -54.56 3.49 -8.96 -1.09 0
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37872 8025205 1 SN2O3C18H22 AB2C3D18E22 -50.64 4.17 -8.26 -0.47 -1
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37873 8025206 1 SN2O3H15C19 AB2C3D15E19 -9.79 3.67 0.0 0.0 0
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37874 8025268 1 S2N3O3H17C20 A2B3C3D17E20 -13.67 4.68 -9.04 -0.84 0
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37875 8025270 1 SN3O3H21C23 AB3C3D21E23 -38.65 4.86 -9.22 -1.36 1
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37876 8025274 1 SN2O2C22H29 AB2C2D22E29 -34.64 3.96 0.0 0.0 0
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37877 8025281 1 BrN2O3H17C18 AB2C3D17E18 -55.85 2.77 -9.31 -0.52 0
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37878 8025288 1 N2O2C21H30 A2B2C21D30 -72.23 3.68 -8.55 0.39 0
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37879 8025301 1 O3N4C22H24 A3B4C22D24 -80.59 4.44 -8.95 -0.43 0
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37880 8025303 1 O3N4C22H24 A3B4C22D24 -79.69 5.23 -8.88 -0.43 0
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37881 8025304 1 ON2F3C11H11 AB2C3D11E11 -151.48 2.24 -10.01 -0.85 0
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37882 8025306 1 NF3O3C9H14 AB3C3D9E14 -274.31 3.01 -10.2 -0.8 0
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37883 8025307 1 O2F3H11C17 A2B3C11D17 -170.53 4.15 -9.29 -0.9 0
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37884 8025317 1 NOF3C13H14 ABC3D13E14 -171.06 6.23 -9.36 -0.39 0
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37885 8025323 1 NOSH17C19 ABCD17E19 27.66 3.56 -9.1 -0.73 0
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37886 8025324 1 NOSH17C19 ABCD17E19 27.52 3.65 -9.17 -0.7 -1
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37887 8025330 1 N3O3C17H18 A3B3C17D18 53.74 20.38 0.0 0.0 0
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37888 8025337 1 ClFNOC15H17 ABCDE15F17 -86.38 4.08 -9.18 -0.47 0
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37889 8025344 1 ClOSN4C20H27 ABCD4E20F27 9.38 6.93 -9.11 -0.82 0
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37890 8025347 1 NOF3H18C21 ABC3D18E21 -155.89 6.42 -9.11 -0.68 0
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37891 8025350 1 NOF3H18C21 ABC3D18E21 -156.41 2.34 -9.06 -0.64 0
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37892 8025351 1 FNSO5C19H20 ABCD5E19F20 -235.22 2.18 -8.78 -0.69 0
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37893 8025353 1 FNOH18C20 ABCD18E20 -41.0 3.06 -8.96 -0.53 0
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37894 8025364 1 N2O2F3C18H23 A2B2C3D18E23 -204.32 4.12 -8.8 -0.38 0
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37895 8025375 1 ClON4C22H25 ABC4D22E25 35.97 7.0 -8.86 -0.7 0
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37896 8025392 1 OF2N2H18C21 AB2C2D18E21 -58.3 4.23 -9.19 -0.48 2
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37897 8025393 1 ClON4C18H23 ABC4D18E23 63.57 11.46 -5.48 -0.74 0
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37898 8025396 1 N3O3C21H25 A3B3C21D25 -86.56 2.64 -8.84 -0.54 2
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37899 8025399 1 ON4C23H26 AB4C23D26 99.25 14.9 -5.16 -1.66 0
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37900 8025407 1 N2O3H22C23 A2B3C22D23 -48.3 2.5 -8.4 -0.06 0
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37901 8025410 1 SO2N3C19H25 AB2C3D19E25 -49.56 2.49 -9.02 -1.13 0
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37902 8025433 1 ClN2O2C23H27 AB2C2D23E27 -35.86 2.84 -8.71 -0.84 0
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37903 8025434 1 NO2F3H16C17 AB2C3D16E17 -202.58 5.83 -9.16 -0.95 0
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37904 8025437 1 ClN2O2C23H27 AB2C2D23E27 -33.37 1.87 -8.4 -0.94 0
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37905 8025445 1 ClSN4C17H17 ABC4D17E17 95.08 6.93 -9.04 -0.83 0
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37906 8025450 1 ClNO2C14H18 ABC2D14E18 -75.17 2.69 -9.88 -0.92 0
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37907 8025458 1 N2O5C17H22 A2B5C17D22 -126.98 7.42 -10.2 -1.46 0
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37908 8025463 1 BrNOC16H16 ABCD16E16 -8.11 3.26 -9.59 -0.36 0
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37909 8025467 1 SN4O4C20H22 AB4C4D20E22 -97.66 3.8 -9.32 -1.06 0
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37910 8025516 2 ON2C7H9 AB2C7D9 -18.96 1.4 -9.46 -0.76 0
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37911 8025518 1 ON4C16H16 AB4C16D16 49.58 1.89 -9.03 -0.84 0
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37912 8025523 1 OSN3H13C17 ABC3D13E17 75.06 5.13 -9.08 -1.01 0
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37913 8025524 1 OCl2N4H12C15 AB2C4D12E15 42.06 2.48 -9.52 -0.82 1
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37914 8025539 1 SN2O2C16H27 AB2C2D16E27 -66.32 6.83 0.0 0.0 0
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37915 8025541 1 SN2O4H12C15 AB2C4D12E15 -86.39 3.18 -8.66 -1.14 0
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37916 8025546 1 ON4C15H20 AB4C15D20 9.48 1.99 -9.47 -0.8 1
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37917 8025547 1 SN2F3O3C18H22 AB2C3D3E18F22 -228.39 5.13 0.0 0.0 0
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37918 8025548 1 SN2F3O3C18H21 AB2C3D3E18F21 -231.65 4.97 -8.96 -1.07 0
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37919 8025549 1 N2S2O3H14C16 A2B2C3D14E16 -69.3 4.73 -8.58 -1.21 0
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37920 8025550 1 ON4C15H20 AB4C15D20 8.21 0.43 -9.41 -0.74 0
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37921 8025553 1 N2F3O3C18H19 A2B3C3D18E19 -233.36 5.15 -9.41 -0.54 0
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37922 8025558 1 N2F3O3C18H19 A2B3C3D18E19 -231.4 5.32 -9.18 -0.88 0
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37923 8025559 1 SO3N4C13H16 AB3C4D13E16 -49.84 4.66 -9.59 -0.91 0
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37924 8025561 1 SO3N4C13H16 AB3C4D13E16 -49.85 3.91 -9.53 -0.83 0
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37925 8025563 1 O3N5H13C14 A3B5C13D14 -10.5 7.39 -9.3 -0.6 0
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37926 8025577 1 NC19H21 AB19C21 38.66 1.23 -8.67 -0.32 1
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37927 8025580 1 NC19H22 AB19C22 53.71 4.77 0.0 0.0 0
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37928 8025582 1 SN2O6C20H20 AB2C6D20E20 -174.03 6.09 -8.48 -0.9 0
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37929 8025586 1 FON4H15C16 ABC4D15E16 5.83 2.43 -9.51 -0.83 0
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37930 8025599 1 N2O3C20H24 A2B3C20D24 -74.56 2.9 -8.83 -0.27 0
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37931 8025600 1 SN2O4H18C22 AB2C4D18E22 -83.51 4.61 -8.57 -1.23 0
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37932 8025602 1 SN2O5H18C19 AB2C5D18E19 -137.04 3.95 -8.59 -1.03 0
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37933 8025621 1 SN2O5H18C19 AB2C5D18E19 -134.06 5.77 -8.52 -0.94 0
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37934 8025623 1 SN2O5H18C19 AB2C5D18E19 -145.49 5.76 -8.5 -0.91 0
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37935 8025628 1 ClOSN4H15C16 ABCD4E15F16 52.22 2.54 -9.21 -0.76 0
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37936 8025650 1 FSN3O4H12C16 ABC3D4E12F16 -66.87 5.06 -8.72 -1.7 1
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37937 8025660 1 O3N4C24H29 A3B4C24D29 -62.08 10.85 0.0 0.0 0
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37938 8025663 1 O4N5C20H21 A4B5C20D21 -65.07 3.12 -8.61 -0.4 0
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37939 8025673 1 SO2N3C16H17 AB2C3D16E17 -31.49 4.52 -9.23 -1.06 0
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37940 8025702 1 ClN2O2C20H25 AB2C2D20E25 -61.63 6.67 -8.48 -0.15 0
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37941 8025710 1 SN3O3C21H21 AB3C3D21E21 -57.14 3.57 -8.38 -1.1 0
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37942 8025718 1 SN2O5H18C21 AB2C5D18E21 -119.01 4.64 -8.62 -1.29 0
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37943 8025721 1 OSN8C19H20 ABC8D19E20 99.5 4.81 -8.44 -0.52 0
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37944 8025743 1 F2N2O4H20C21 A2B2C4D20E21 -224.42 8.56 -9.01 -0.47 0
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37945 8025759 1 N2O2C21H26 A2B2C21D26 -62.32 4.44 -8.28 0.02 0
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37946 8025764 1 SN2O4C21H22 AB2C4D21E22 -135.56 6.29 -8.3 -1.0 0
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37947 8025777 1 N4O5H20C21 A4B5C20D21 -120.79 4.64 -8.53 -0.98 0
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37948 8025796 1 FSN2O3H13C17 ABC2D3E13F17 -106.85 4.29 -8.66 -1.25 0
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37949 8025800 1 SN3O3C18H19 AB3C3D18E19 -58.2 7.12 -8.45 -1.15 0
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37950 8025831 1 O2N3C23H29 A2B3C23D29 -51.7 2.96 -8.19 0.06 1
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37951 8025833 1 O2N3C23H30 A2B3C23D30 -33.59 2.3 0.0 0.0 0
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37952 8025835 1 SN4O4C17H22 AB4C4D17E22 -120.33 9.31 -9.22 -1.14 0