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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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84771 49869783 1 SO4N8C21H22 AB4C8D21E22 -13.76 3.31 -8.87 -1.19 0
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84772 49869784 1 F2O2N8H20C21 A2B2C8D20E21 -32.78 3.54 -8.72 -1.11 0
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84773 49869786 1 ON5C28H37 AB5C28D37 3.9 5.81 -8.43 -0.46 0
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84774 49869799 1 OF2N6H18C22 AB2C6D18E22 0.84 11.04 -8.81 -1.08 0
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84775 49869806 1 F4N4O4H14C23 A4B4C4D14E23 -206.41 1.79 -8.93 -1.88 0
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84776 49869808 1 O2N7H27C30 A2B7C27D30 108.72 8.92 -9.23 -1.36 0
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84777 49869809 1 ON7H21C26 AB7C21D26 153.49 3.99 -9.16 -1.4 0
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84778 49869814 1 O2N7H17C18 A2B7C17D18 144.62 3.54 -8.85 -1.58 0
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84779 49869816 1 O3N5H23C27 A3B5C23D27 122.85 4.27 -8.48 -1.57 0
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84780 49869823 1 INF2O2C32H46 ABC2D2E32F46 -144.54 29.13 -5.61 -2.34 0
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84781 49869841 1 NO6H15C19 AB6C15D19 -195.64 12.17 -9.86 -1.36 0
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84782 49869850 1 O8N9C44H57 A8B9C44D57 -294.82 2.42 -8.88 -0.87 0
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84783 49869853 1 SO8N10C42H52 AB8C10D42E52 -211.62 7.1 -8.67 -1.02 0
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84784 49869857 1 ClON3C16H18 ABC3D16E18 0.78 4.53 -8.41 -0.42 0
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84785 49869862 1 ClSiN2O6C36H59 ABC2D6E36F59 -334.8 6.42 -8.68 -0.78 0
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84786 49869866 1 O2C29H48 A2B29C48 -155.3 2.4 -7.91 0.48 0
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84787 49869868 2 OC14H23 AB14C23 -153.12 1.54 -8.01 0.37 0
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84788 49869872 1 BrN4O14C46H75 AB4C14D46E75 -635.17 4.96 -8.76 -0.46 0
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84789 49869882 1 NF3O3C8H8 AB3C3D8E8 -249.61 8.08 -8.85 -0.71 0
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84790 49869904 1 ON2C27H48 AB2C27D48 -40.52 3.4 -9.5 0.71 0
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84791 49869905 1 ON4C31H58 AB4C31D58 -41.56 3.59 -8.76 0.68 0
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84792 49869925 1 Cl2O2N5C26H31 A2B2C5D26E31 -38.55 9.2 -8.52 -0.58 0
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84793 49869943 1 F3N4O4H17C24 A3B4C4D17E24 -174.09 6.62 -8.76 -1.82 0
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84794 49869948 1 ON9H19C24 AB9C19D24 180.08 7.2 -9.34 -1.72 0
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84795 49869951 1 O3N6H16C17 A3B6C16D17 100.47 7.15 -9.0 -1.43 1
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84796 49869963 1 N2O2C33H47 A2B2C33D47 -55.66 4.31 0.0 0.0 1
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84797 49869965 1 ClNO4C33H47 ABC4D33E47 -162.22 3.38 0.0 0.0 1
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84798 49869967 1 ClNO2C36H55 ABC2D36E55 -117.52 2.19 0.0 0.0 0
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84799 49869980 1 NF3O6H12C19 AB3C6D12E19 -345.4 12.13 -9.98 -1.63 0
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84800 49869981 1 NF3O6H12C19 AB3C6D12E19 -345.52 9.15 -10.03 -1.64 0
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84801 49869988 2 O3N4C21H26 A3B4C21D26 -191.65 5.77 -8.48 -0.44 0
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84802 49869989 1 SO8N9C40H51 AB8C9D40E51 -267.71 10.54 -8.68 -0.58 0
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84803 49869999 1 SiN2O6C29H50 AB2C6D29E50 -252.05 5.88 -9.02 0.04 0
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84804 49870000 1 ClN2O6C30H43 AB2C6D30E43 -234.19 2.54 -9.04 -0.88 0
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84805 49870002 1 O2C29H46 A2B29C46 -142.24 2.99 -7.95 0.47 0
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84806 49870019 1 N2F3O5C12H15 A2B3C5D12E15 -351.15 3.77 -9.24 -0.89 0
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84807 49870020 1 F3N3O4C13H18 A3B3C4D13E18 -304.36 4.99 -9.04 -0.78 0
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84808 49870021 1 ClNO2F3C9H9 ABC2D3E9F9 -238.26 7.31 -8.74 -0.54 0
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84809 49870031 1 SO3N6C15H20 AB3C6D15E20 -45.05 4.99 -8.83 -0.55 0
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84810 49870032 2 O3C17H25 A3B17C25 -276.21 4.43 -9.25 -0.46 0
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84811 49870033 1 NO6C32H47 AB6C32D47 -264.19 6.31 -9.1 -0.4 0
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84812 49870059 1 FO2N5C27H34 AB2C5D27E34 -79.03 5.26 -8.47 -0.88 0
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84813 49870061 1 O2N5C27H35 A2B5C27D35 -36.37 5.24 -8.56 -0.49 0
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84814 49870065 1 FSO2N4C16H21 ABC2D4E16F21 -77.88 5.2 -10.06 -0.74 1
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84815 49870093 1 NF2O2C36H54 AB2C2D36E54 -200.81 1.89 0.0 0.0 0
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84816 49870133 2 NO3C15H22 AB3C15D22 -223.17 2.47 -9.13 -0.76 0
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84817 49870170 1 BrPC43H58 ABC43D58 111.11 53.9 -4.89 -2.4 0
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84818 49870172 1 NaSO4C25H43 ABC4D25E43 -115.66 29.32 -8.35 -2.41 0
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84819 49870174 1 NaSO5C28H49 ABC5D28E49 -167.03 24.68 -8.17 -2.15 0
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84820 49870175 1 SO5C28H50 AB5C28D50 -211.43 6.21 -9.45 -0.45 0
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84821 49870177 1 FON3C5H6 ABC3D5E6 -71.44 7.06 -8.77 -0.1 0
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84822 49870178 1 OSN5H9C11 ABC5D9E11 66.86 6.1 -9.25 -1.25 0
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84823 49870181 1 ClO2N3H24C25 AB2C3D24E25 -15.13 3.43 -8.2 -0.47 0
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84824 49870182 2 FON2H11C12 ABC2D11E12 -84.07 3.39 -8.21 -0.98 0
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84825 49870189 1 F2O2N8H20C21 A2B2C8D20E21 -33.8 3.83 -9.02 -1.09 0
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84826 49870196 1 SO3N5C22H27 AB3C5D22E27 -37.31 7.61 -9.37 -0.94 0
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84827 49870209 1 O3N7C22H23 A3B7C22D23 -38.38 3.05 -9.31 -1.9 0
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84828 49870210 1 O5N6C20H24 A5B6C20D24 -160.28 2.76 -9.37 -1.74 0
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84829 49870212 1 O2N6C19H20 A2B6C19D20 28.03 10.4 -9.02 -1.01 0
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84831 49870242 1 N2O6H12C17 A2B6C12D17 -174.76 11.02 -9.97 -1.65 0
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84832 49870247 1 N2O15C47H76 A2B15C47D76 -694.24 3.89 -8.8 -0.62 0
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84833 49870248 1 SO2H7N7C9 AB2C7D7E9 51.67 6.25 -9.48 -1.9 0
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84834 49870251 1 OS2H7N7C11 AB2C7D7E11 132.51 4.04 -8.94 -1.8 0
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84835 49870252 1 OS2N6H8C12 AB2C6D8E12 122.65 2.43 -8.77 -1.71 0
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84836 49870257 1 SO6N8C44H52 AB6C8D44E52 -178.87 6.29 -8.65 -0.76 0
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84837 49870264 3 ON3C10H19 AB3C10D19 -146.21 4.12 -9.0 -0.77 0
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84838 49870265 3 ON3C11H21 AB3C11D21 -161.38 1.06 -8.89 -0.92 0
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84839 49870275 1 N4O15C42H74 A4B15C42D74 -707.37 8.73 -8.76 0.39 1
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84840 49870281 1 O6H15C17 A6B15C17 -178.65 7.74 0.0 0.0 0
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84841 49870282 1 ClO6H15C17 AB6C15D17 -198.43 7.83 -8.95 -2.07 1
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84842 49870283 1 O6H15C17 A6B15C17 -178.26 7.16 0.0 0.0 0
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84843 49870284 1 ClO7H15C17 AB7C15D17 -240.42 5.65 -8.57 -0.66 0
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84844 49870287 1 O2N5H25C26 A2B5C25D26 38.0 5.82 -8.64 -0.5 0
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84845 49870301 1 ON5C19H19 AB5C19D19 67.63 6.25 -8.72 -0.47 1
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84846 49870313 1 PS3O9C43H58 AB3C9D43E58 -237.5 13.34 0.0 0.0 0
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84847 49870316 1 O4C37H56 A4B37C56 -89.42 5.75 -9.45 -0.04 0
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84848 49870320 1 NO5C28H33 AB5C28D33 -160.44 7.88 -9.62 -0.77 0
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84849 49870321 2 NO2C15H19 AB2C15D19 -117.32 1.93 -9.24 -0.47 0
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84850 49870323 1 FO2N3H24C25 AB2C3D24E25 -47.71 2.56 -8.06 -0.42 0
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84851 49870326 1 O2F3N5H22C24 A2B3C5D22E24 -127.29 7.23 -8.2 -1.34 0
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84852 49870328 1 O2F3N4H23C26 A2B3C4D23E26 -162.18 3.81 -8.6 -1.36 0
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84853 49870333 1 F2O2N9C22H23 A2B2C9D22E23 -33.61 4.97 -8.52 -0.85 0
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84854 49870334 1 O3N5C29H37 A3B5C29D37 -65.31 6.15 -8.45 -0.55 0
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84855 49870340 1 SF3O3N4C23H25 AB3C3D4E23F25 -205.16 9.16 -9.8 -1.11 0
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84856 49870342 1 SO3N5C21H25 AB3C5D21E25 -48.67 9.06 -9.54 -0.89 0
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84857 49870353 1 O3N7H21C24 A3B7C21D24 40.78 6.82 -9.19 -1.4 0
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84858 49870355 2 ON3H10C11 AB3C10D11 47.32 11.83 -9.27 -1.41 0
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84859 49870357 1 O4N5C18H19 A4B5C18D19 9.03 7.54 -9.07 -1.58 0
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84860 49870360 1 O3N6C18H20 A3B6C18D20 49.61 7.45 -8.93 -1.49 0
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84861 49870361 1 ClO2N5C17H18 AB2C5D17E18 82.04 5.02 -8.66 -1.44 0
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84862 49870362 1 O2N5C23H23 A2B5C23D23 113.56 4.94 -8.56 -1.35 0
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84863 49870369 1 BrNO2F3C35H49 ABC2D3E35F49 -261.27 3.06 -8.42 -0.64 0
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84864 49870371 1 BrNF2O2C33H46 ABC2D2E33F46 -180.92 2.22 -8.26 -0.36 1
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84865 49870372 1 NF2O2C33H46 AB2C2D33E46 -165.96 2.0 0.0 0.0 0
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84867 49870414 1 BrO6H17C18 AB6C17D18 -180.72 6.47 -8.44 -0.9 0
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84868 49870442 1 NO7C33H47 AB7C33D47 -284.09 7.8 -8.92 -0.56 0
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84869 49870443 1 O6C27H46 A6B27C46 -294.8 5.88 -9.03 -0.28 0
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84870 49870447 1 N2O14C77H138 A2B14C77D138 -626.47 8.57 -9.33 0.62 0
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84871 49870448 1 NO4C29H35 AB4C29D35 -123.16 5.12 -9.37 -0.5 0
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84872 49870450 1 NO5C29H35 AB5C29D35 -162.39 5.48 -9.43 -0.56 0