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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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124870 50900294 1 SP3N9O17C27H46 AB3C9D17E27F46 -902.3 11.87 -9.2 -0.59 0
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124871 50900494 1 NF2O6H15C16 AB2C6D15E16 -302.8 10.52 -9.74 -1.82 0
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124872 50900540 1 NF3O7C22H28 AB3C7D22E28 -466.11 3.3 -9.57 -0.75 0
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124873 50900755 1 O6C29H42 A6B29C42 -296.11 5.87 -9.78 -0.73 0
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124874 50900973 2 O2N4C29H38 A2B4C29D38 -132.53 4.53 -8.27 -2.3 0
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124875 50901036 1 O5C22H34 A5B22C34 -245.73 3.03 -10.1 0.02 0
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124876 50901071 2 O2C7H9 A2B7C9 -156.85 5.77 -9.86 -0.19 0
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124877 50901081 1 ON2S3H14C16 AB2C3D14E16 56.12 2.77 -8.68 -1.55 0
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124878 50901082 1 N2O2S3H16C17 A2B2C3D16E17 9.39 4.4 -8.72 -1.15 0
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124879 50901083 2 FNOC7H8 ABCD7E8 -171.65 2.33 -10.01 -0.54 0
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124880 50901084 1 F2N2O3C17H24 A2B2C3D17E24 -234.66 3.62 -9.51 -0.35 0
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124881 50901085 1 FN2O3C17H25 AB2C3D17E25 -191.96 6.44 -9.08 0.09 0
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124882 50901266 1 NO2H19C25 AB2C19D25 31.84 3.0 -8.64 -0.83 0
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124883 50901267 1 NO2H23C27 AB2C23D27 18.24 2.49 -8.6 -0.79 0
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124884 50901337 1 ClNOH18C23 ABCD18E23 40.04 3.03 -8.56 -0.43 0
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124885 50901347 1 N3O7C38H41 A3B7C38D41 -127.59 1.54 -9.27 0.0 0
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124886 50901378 1 Si3O10C58H110 A3B10C58D110 -681.03 3.13 -8.92 -0.12 0
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124887 50901488 1 O8C25H38 A8B25C38 -347.51 3.1 -9.54 0.2 0
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124888 50901497 1 NF3H8C16 AB3C8D16 -29.6 4.65 -9.52 -1.57 0
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124889 50901580 1 OCl2N2H10C11 AB2C2D10E11 -18.66 5.98 -8.98 -0.49 0
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124890 50901613 1 NO3H19C22 AB3C19D22 -50.84 1.16 -8.46 -0.86 0
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124891 50901622 2 OSC4H4 ABC4D4 -17.63 3.46 -8.69 -1.01 0
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124892 50901623 1 NO2C16H21 AB2C16D21 -66.6 2.42 -9.12 -0.05 0
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124893 50901624 1 NO2C17H25 AB2C17D25 -85.88 1.87 -8.78 0.37 0
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124894 50901729 1 NO4C20H27 AB4C20D27 -173.73 2.8 -8.72 0.02 0
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124895 50901730 1 N3O10C44H55 A3B10C44D55 -396.19 1.29 -8.88 -0.46 0
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124896 50901731 1 N3O10C41H51 A3B10C41D51 -393.36 4.14 -8.62 -0.18 0
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124897 50901764 1 N3O11C44H53 A3B11C44D53 -403.73 8.27 -8.72 -0.28 0
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124898 50901787 1 SN2O4C18H22 AB2C4D18E22 -127.02 2.84 -9.54 -0.77 0
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124899 50901802 1 N2O10H20C21 A2B10C20D21 -225.28 11.13 -10.05 -1.73 0
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124900 50901815 1 ClN2O4C9H11 AB2C4D9E11 -101.85 4.78 -10.52 -1.73 0
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124902 50902004 1 N2O2H20C23 A2B2C20D23 -11.03 7.49 -8.44 -0.9 0
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124903 50902364 1 N4O5F6H24C26 A4B5C6D24E26 -428.26 4.88 -9.94 -0.88 0
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124905 50902366 1 F2N5O6C32H33 A2B5C6D32E33 -256.48 7.55 -9.32 -1.26 0
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124906 50902367 2 FN2O4C17H17 AB2C4D17E17 -339.8 9.32 -9.25 -1.11 0
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124907 50902368 1 NaF2N4O8C27H27 AB2C4D8E27F27 -321.27 26.32 -7.15 -2.24 0
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124908 50902539 1 ClFNPC5O6H10 ABCDE5F6G10 -386.84 2.61 -10.87 -0.4 0
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124909 50902644 1 N7O7C29H41 A7B7C29D41 -285.91 7.65 -9.36 -0.08 0
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124910 50902645 1 N5O6C22H27 A5B6C22D27 -189.8 3.84 -8.78 -0.41 0
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124911 50902938 1 SN4O4H30C31 AB4C4D30E31 -15.75 8.36 -9.33 -1.36 0
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124912 50903090 1 FNPO9C20H35 ABCD9E20F35 -531.64 4.51 -10.0 -0.4 0
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124913 50903091 1 FNPO9C20H35 ABCD9E20F35 -537.48 2.25 -10.24 -0.29 0
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124914 50903105 2 O3C9H10 A3B9C10 -207.19 4.0 -9.17 -1.98 0
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124915 50903228 1 O3N6C31H40 A3B6C31D40 -57.73 6.16 -8.14 -0.3 0
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124916 50903229 1 N3O5C29H37 A3B5C29D37 -163.69 3.14 -8.56 -0.62 0
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124917 50903312 1 NO3C23H37 AB3C23D37 -180.95 2.27 -9.23 0.83 0
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124918 50903324 1 BrNO4H14C16 ABC4D14E16 -109.05 3.89 -9.26 -0.57 0
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124919 50903328 2 NO3H7C8 AB3C7D8 -115.16 5.01 -9.94 -1.42 0
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124920 50903329 1 NO4C17H17 AB4C17D17 -119.22 2.36 -8.81 -0.43 0
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124921 50903330 1 N2O3C13H14 A2B3C13D14 -110.94 4.26 -9.45 -0.47 0
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124922 50903572 1 N2S2O3H16C17 A2B2C3D16E17 -3.19 8.28 -8.87 -1.41 1
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124923 50903737 1 N4O6C30H31 A4B6C30D31 -166.89 2.36 0.0 0.0 0
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124924 50903891 2 N2O2C15H15 A2B2C15D15 -108.42 5.21 -8.92 -0.47 1
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124925 50903963 1 N3O3C30H32 A3B3C30D32 -27.32 6.47 0.0 0.0 1
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124926 50904078 1 O2N4C22H25 A2B4C22D25 -15.37 6.74 0.0 0.0 0
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124927 50904217 1 NSO5H19C24 ABC5D19E24 -95.15 3.43 -9.58 -1.14 0
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124928 50904253 1 NC17H27 AB17C27 27.48 1.35 -8.51 1.8 0
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124929 50904389 1 NS2O3C19H21 AB2C3D19E21 -86.93 6.94 -8.63 -0.52 0
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124930 50904390 1 NSO9C20H21 ABC9D20E21 -247.37 1.96 -10.14 -2.18 0
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124931 50904391 2 ClNOC12H13 ABCD12E13 -80.52 6.31 -9.03 -0.89 -1
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124932 50904392 1 NO5C18H22 AB5C18D22 -159.09 5.16 0.0 0.0 0
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124933 50904665 1 NO2H17C21 AB2C17D21 3.04 2.47 -8.88 -0.56 0
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124934 50904705 1 NOSC18H25 ABCD18E25 -48.45 4.81 -8.85 -0.41 0
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124935 50904707 1 Br2O2C13H14 A2B2C13D14 -64.21 1.61 -10.1 -0.7 0
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124936 50904763 1 SN2O6C23H32 AB2C6D23E32 -242.57 9.23 -9.37 -1.25 0
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124937 50904799 1 SN2O3C23H28 AB2C3D23E28 -95.68 5.0 -8.8 -0.95 0
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124938 50904843 1 NF2O4C24H27 AB2C4D24E27 -244.54 5.21 -8.93 -0.78 0
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124939 50904883 1 Cl2N7O18H43C58 A2B7C18D43E58 -494.8 9.84 -9.22 -2.1 0
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124940 50904884 1 NO6C8H13 AB6C8D13 -262.01 3.0 -9.09 0.22 0
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124941 50904885 2 O8C9H16 A8B9C16 -654.58 1.02 -10.41 -0.75 0
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124942 50904886 1 ClSN3O3H12C15 ABC3D3E12F15 -31.97 6.2 -9.02 -1.61 0
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124943 50904977 1 NO2C20H31 AB2C20D31 -101.95 3.0 -8.83 0.39 1
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124944 50904981 1 FON3C22H33 ABC3D22E33 -70.82 2.36 0.0 0.0 0
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124945 50904982 1 FON3C22H32 ABC3D22E32 -89.57 5.49 -8.27 0.06 0
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124946 50904983 1 ClNO3H18C24 ABC3D18E24 -29.24 3.38 -9.59 -0.82 0
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124947 50904984 1 SO2N4C21H24 AB2C4D21E24 22.6 4.35 -8.61 -0.54 0
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124948 50905008 1 PRuO2N5F6H24C32 ABC2D5E6F24G32 -174.61 14.64 -8.22 -3.2 0
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124949 50905009 2 NOH7C9 ABC7D9 7.13 2.5 -9.46 -0.8 0
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124950 50905135 2 N3O4C13H13 A3B4C13D13 -82.64 9.73 -8.66 -2.07 0
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124951 50905173 1 N5O5C12H17 A5B5C12D17 -158.89 0.64 -8.77 -0.37 0
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124952 50905174 1 ClN5O5C12H16 AB5C5D12E16 -164.71 3.07 -9.22 -0.92 0
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124953 50905175 1 N4O5C17H18 A4B5C17D18 -125.59 3.02 -9.24 -1.04 0
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124954 50905218 1 O7C25H38 A7B25C38 -266.28 2.86 -9.11 0.37 0
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124955 50905223 1 SbN2Cl7C15H20 AB2C7D15E20 -107.04 18.13 -10.56 -1.73 0
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124956 50905227 1 Cl2N2C15H20 A2B2C15D20 30.03 2.05 -9.35 -1.05 0
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124957 50905228 1 SbN2Cl7C15H20 AB2C7D15E20 -54.35 12.67 -8.41 -2.83 1
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124958 50905229 1 ClN2C15H20 AB2C15D20 35.5 4.83 0.0 0.0 0
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124959 50905267 1 O3N7C34H45 A3B7C34D45 -91.16 4.26 -7.82 -0.06 0
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124960 50905274 1 N13O15C69H121 A13B15C69D121 -773.43 5.47 -9.0 -0.24 1
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124961 50905314 1 F2N2O3C28H29 A2B2C3D28E29 -114.96 5.37 0.0 0.0 0
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124962 50905315 1 O2N5C24H25 A2B5C24D25 -4.35 9.79 -9.19 -1.83 0
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124963 50905370 1 N5O8H21C23 A5B8C21D23 -90.95 6.34 -8.88 -1.98 0
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124964 50905470 1 NO3C17H25 AB3C17D25 -139.33 2.91 -8.8 0.15 1
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124965 50905528 1 F2O2N4C28H31 A2B2C4D28E31 -85.75 11.13 0.0 0.0 0
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124966 50905669 1 ClNO2C7H12 ABC2D7E12 -45.47 5.57 -10.98 -0.58 0
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124967 50905709 1 N12O16C69H120 A12B16C69D120 -814.78 15.84 -9.0 0.22 0
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124968 50905710 1 ClON6H21C24 ABC6D21E24 78.35 9.42 -8.81 -0.77 0
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124969 50905711 1 OCl2N6H16C22 AB2C6D16E22 77.94 9.8 -9.0 -0.92 1
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124970 50905729 1 SN2O5C30H41 AB2C5D30E41 -141.94 2.8 0.0 0.0 1
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124971 50905742 1 BrN2O2C28H32 AB2C2D28E32 18.08 6.36 0.0 0.0 0