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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
Show
89849 49965033 1 SO4N5H17C26 AB4C5D17E26 -4.53 11.6 -9.15 -1.5 0
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89850 49965034 1 SO2N5H15C21 AB2C5D15E21 66.54 12.04 -9.02 -1.27 0
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89851 49965037 1 BrNO4H18C23 ABC4D18E23 -67.2 6.39 -8.47 -0.79 0
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89852 49965039 1 SO2N3F4H13C20 AB2C3D4E13F20 -211.28 2.58 -9.16 -1.98 0
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89853 49965041 1 OSN3H11C14 ABC3D11E14 55.75 4.35 -9.17 -1.49 0
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89854 49965048 1 FSO2N5H14C22 ABC2D5E14F22 12.08 9.53 -8.89 -1.36 0
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89855 49965053 1 NO6H19C24 AB6C19D24 -94.81 7.74 -8.65 -1.01 0
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89856 49965058 1 SO3N4H14C20 AB3C4D14E20 19.73 4.57 -8.56 -1.72 0
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89857 49965066 1 ClSO2N5H14C21 ABC2D5E14F21 56.14 13.1 -9.08 -1.29 0
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89858 49965068 1 N4O5C15H16 A4B5C15D16 -123.48 4.38 -9.12 -0.22 0
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89859 49965069 1 N4O5C16H18 A4B5C16D18 -131.92 4.68 -9.1 -0.2 0
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89860 49965070 1 SO2F3N3H20C24 AB2C3D3E20F24 -177.84 4.48 -8.98 -1.69 0
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89861 49965071 1 SO2F3N3H18C19 AB2C3D3E18F19 -114.07 3.84 -8.98 -1.67 0
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89862 49965076 1 ClO3N4H15C18 AB3C4D15E18 -45.18 3.55 -9.43 -0.99 0
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89863 49965077 1 SCl2O2N5H13C22 AB2C2D5E13F22 41.55 12.23 -9.02 -1.52 0
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89864 49965088 1 OS2N6H14C17 AB2C6D14E17 109.02 4.05 -9.72 -1.71 0
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89865 49965090 1 SO3N4C18H18 AB3C4D18E18 -8.11 6.58 -9.35 -0.99 0
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89866 49965091 1 S2N3O3C17H17 A2B3C3D17E17 -11.75 7.13 -9.32 -1.07 0
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89867 49965092 4 NOC5H5 ABC5D5 -30.83 4.83 -8.65 -1.88 0
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89868 49965093 1 N3O6C23H25 A3B6C23D25 -123.41 5.3 -8.4 -1.62 0
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89869 49965095 1 SN3O4C20H21 AB3C4D20E21 -54.74 4.13 -8.88 -0.52 0
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89870 49965103 1 N4O5H20C21 A4B5C20D21 -27.54 1.59 -9.64 -1.41 0
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89871 49965115 1 ClSN3O3H18C19 ABC3D3E18F19 -26.85 7.22 -9.38 -0.97 0
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89872 49965120 1 BrN4O5H19C21 AB4C5D19E21 -25.29 5.76 -9.79 -1.45 0
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89873 49965124 1 SN3O4C20H21 AB3C4D20E21 -58.28 7.25 -8.98 -0.9 0
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89874 49965125 1 ION4H11C14 ABC4D11E14 90.34 6.02 -9.56 -1.18 0
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89875 49965126 1 OSN4C8H8 ABC4D8E8 69.85 1.4 -9.09 -1.58 0
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89876 49965127 1 N3O4C22H23 A3B4C22D23 -61.77 4.05 -8.95 -0.45 0
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89877 49965128 1 N3O4C23H25 A3B4C23D25 -67.24 3.51 -8.8 -0.27 0
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89878 49965129 1 FN4O5H19C21 AB4C5D19E21 -75.67 3.27 -9.74 -1.44 0
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89879 49965140 1 BrN3O4H18C19 AB3C4D18E19 -51.2 7.22 -9.4 -0.8 0
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89880 49965141 1 SN3O4C21H23 AB3C4D21E23 -65.81 8.53 -9.0 -0.91 0
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89881 49965142 1 FSN3O3H18C19 ABC3D3E18F19 -66.28 6.56 -9.47 -1.07 0
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89882 49965146 1 N3O5C24H27 A3B5C24D27 -108.05 5.72 -8.31 -0.31 0
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89883 49965151 1 BrN3O4C22H22 AB3C4D22E22 -58.23 3.12 -8.99 -0.54 0
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89884 49965176 1 N3O4C24H27 A3B4C24D27 -74.16 2.25 -8.74 -0.42 0
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89885 49965191 3 NO2C8H9 AB2C8D9 -138.14 7.55 -8.5 -0.34 0
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89886 49965196 1 N3O6C21H23 A3B6C21D23 -132.78 6.7 -8.57 -0.62 0
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89887 49965202 1 N4O5C22H24 A4B5C22D24 -87.61 1.86 -8.29 -0.55 0
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89888 49965204 1 N3O6C20H21 A3B6C20D21 -132.78 4.15 -8.89 -0.78 0
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89889 49965207 1 SN3O5C20H21 AB3C5D20E21 -97.88 4.87 -8.74 -1.0 0
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89890 49965245 1 SN2F3O4H13C17 AB2C3D4E13F17 -238.94 6.57 -9.44 -1.88 0
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89891 49965253 1 ClS2N3O5H12C16 AB2C3D5E12F16 -135.79 6.18 -9.25 -1.62 0
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89892 49965280 1 SN2O3C15H18 AB2C3D15E18 -17.95 8.42 -9.35 -1.67 0
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89893 49965282 1 Cl2S2N3O3H9C16 A2B2C3D3E9F16 -35.84 0.88 -9.2 -1.77 0
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89894 49965285 1 ClS2N3O4H16C18 AB2C3D4E16F18 -104.58 2.27 -9.07 -1.88 0
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89895 49965286 1 N3O5H19C20 A3B5C19D20 -82.98 11.5 -8.45 -2.61 1
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89896 49965289 1 N3O4C23H24 A3B4C23D24 -68.72 3.85 0.0 0.0 0
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89897 49965290 1 SN2O3C22H22 AB2C3D22E22 -64.92 4.97 -9.21 -1.07 0
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89898 49965291 1 SO3N5H15C18 AB3C5D15E18 -4.89 6.3 -9.57 -1.54 0
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89899 49965295 1 ClSN2O6H17C22 ABC2D6E17F22 -117.93 10.19 -9.55 -1.8 0
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89900 49965296 1 NSCl2O5H15C21 ABC2D5E15F21 -149.74 8.1 -9.23 -1.61 0
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89901 49965297 1 N3O4C21H21 A3B4C21D21 -58.72 15.53 -8.15 -2.54 1
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89902 49965298 1 N3O4C21H22 A3B4C21D22 -68.97 4.34 0.0 0.0 0
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89903 49965299 1 S2N3O3H13C19 A2B3C3D13E19 -27.86 5.75 -9.28 -1.74 0
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89904 49965308 1 N2O2S2H12C19 A2B2C2D12E19 33.81 2.61 -8.97 -1.64 0
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89905 49965311 1 SO4N5C21H21 AB4C5D21E21 -57.08 9.33 -8.09 -1.04 0
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89906 49965317 1 S2F3N3O4H14C18 A2B3C3D4E14F18 -268.4 6.34 -9.01 -1.77 0
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89907 49965324 1 S3N4O6H16C19 A3B4C6D16E19 -166.66 2.68 -9.36 -2.13 0
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89908 49965330 1 SO2N3H15C20 AB2C3D15E20 18.86 4.45 -8.48 -1.48 0
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89909 49965332 1 S2O3N4H22C24 A2B3C4D22E24 -53.57 4.99 -8.27 -1.64 0
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89910 49965335 1 S2N3O6H15C18 A2B3C6D15E18 -166.84 2.57 -9.06 -1.69 0
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89911 49965336 2 SO2N3H5C6 AB2C3D5E6 -67.35 10.09 -9.11 -1.6 0
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89912 49965339 1 S2N3O4C22H27 A2B3C4D22E27 -165.22 4.25 -9.03 -1.67 0
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89913 49965342 1 OS2N5H25C27 AB2C5D25E27 64.28 3.34 -8.5 -1.27 0
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89914 49965345 1 ClO3N4H15C21 AB3C4D15E21 -4.44 4.8 -8.9 -1.34 0
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89915 49965346 1 S2N3O8H19C20 A2B3C8D19E20 -261.77 2.81 -8.66 -1.94 0
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89916 49965352 1 S2O3N6H20C25 A2B3C6D20E25 72.38 12.18 -8.8 -1.63 0
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89917 49965357 1 N2S2O5C13H14 A2B2C5D13E14 -186.43 5.45 -9.03 -1.69 0
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89918 49965358 2 NSO3H7C9 ABC3D7E9 -167.47 7.56 -8.87 -1.52 0
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89919 49965380 1 OS2N6H18C20 AB2C6D18E20 86.78 7.24 -8.64 -1.37 0
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89920 49965381 1 S2O3N5H25C27 A2B3C5D25E27 -30.46 8.23 -8.75 -1.61 0
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89921 49965393 1 SO3N5C26H31 AB3C5D26E31 -86.56 5.14 -8.36 -1.07 0
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89922 49965396 1 ClOSF3N4H20C25 ABCD3E4F20G25 -124.18 7.48 -8.62 -1.39 0
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89923 49965400 1 ClS2N3O6H16C18 AB2C3D6E16F18 -185.25 4.54 -8.55 -1.9 0
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89924 49965403 1 SN3O3H25C26 AB3C3D25E26 -18.42 7.01 -8.3 -1.04 0
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89925 49965406 1 OSCl2N4H20C24 ABC2D4E20F24 24.76 7.36 -8.6 -1.35 0
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89926 49965408 1 ClFOSN4H20C24 ABCDE4F20G24 -6.9 5.67 -8.46 -1.21 0
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89927 49965409 1 OS2N4C14H14 AB2C4D14E14 49.34 7.2 -8.92 -0.81 0
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89928 49965410 1 ClS2N3O4H14C17 AB2C3D4E14F17 -120.39 5.35 -9.0 -1.66 0
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89929 49965411 1 ClS2F3N3O4H11C17 AB2C3D3E4F11G17 -271.91 3.22 -9.09 -1.94 0
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89930 49965412 2 SN2O3H6C8 AB2C3D6E8 -103.18 3.79 -9.18 -1.93 0
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89931 49965413 1 SN3C21H25 AB3C21D25 62.18 5.37 -8.73 -0.82 0
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89932 49965415 1 BrOSN4H23C25 ABCD4E23F25 36.53 6.25 -8.46 -1.25 0
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89933 49965419 1 ClOSN4H23C25 ABCD4E23F25 29.08 5.78 -8.46 -1.2 0
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89934 49965420 1 OS2N4H24C25 AB2C4D24E25 48.16 6.2 -8.51 -1.12 0
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89935 49965431 1 ClSO3N4H25C26 ABC3D4E25F26 -40.69 6.37 -8.0 -1.19 0
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89936 49965441 1 ClFOSN4H20C24 ABCDE4F20G24 -10.55 7.35 -8.55 -1.31 0
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89937 49965450 1 ClSO3N4H17C21 ABC3D4E17F21 -24.95 7.17 -8.52 -1.62 0
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89938 49965456 1 SN3C19H19 AB3C19D19 100.03 5.69 -8.77 -0.85 0
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89939 49965460 1 OF2N2H12C20 AB2C2D12E20 -23.12 4.97 -8.92 -0.85 0
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89940 49965484 1 BrSO2N5H12C17 ABC2D5E12F17 31.82 12.33 -8.99 -1.24 0
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89941 49965496 1 N4O4C19H20 A4B4C19D20 -73.51 7.84 -8.23 -1.33 0
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89942 49965497 1 ClSO3N5H18C24 ABC3D5E18F24 7.45 11.96 -8.93 -1.18 1
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89943 49965528 1 N2O3C15H15 A2B3C15D15 -69.26 2.51 0.0 0.0 0
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89944 49965529 1 F2N2O2S2H8C13 A2B2C2D2E8F13 -98.27 5.14 -8.97 -1.31 0
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89945 49965531 1 Cl2S2N3O3H9C14 A2B2C3D3E9F14 -61.23 4.83 -9.11 -1.49 0
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89946 49965558 1 FNO4H14C18 ABC4D14E18 -134.92 5.97 -9.39 -1.08 0
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89947 49965572 1 N3O4C22H23 A3B4C22D23 -51.13 4.98 -8.51 -1.74 0
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89948 49965574 2 ON2H8C9 AB2C8D9 29.65 4.88 -8.61 -0.5 0