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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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146065 53629712 1 NO2C5H10 AB2C5D10 -72.52 5.45 0.0 0.0 0
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146066 53629713 1 BrOC3H4 ABC3D4 16.16 2.23 0.0 0.0 0
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146067 53630004 1 O3N6H18C20 A3B6C18D20 5.65 6.4 -8.1 -1.17 1
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146068 53630671 1 OC5H9 AB5C9 0.99 1.41 0.0 0.0 0
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146069 53630728 1 ON2C8H12 AB2C8D12 -23.01 2.29 -8.3 0.52 0
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146070 53630954 1 Cl2O3N6C24H24 A2B3C6D24E24 14.37 4.45 -8.98 -1.28 0
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146071 53630955 1 Cl2O3N6H22C23 A2B3C6D22E23 18.26 7.79 -8.67 -1.2 0
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146072 53630956 1 Cl2O3N7C24H25 A2B3C7D24E25 33.34 1.11 -8.82 -1.37 0
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146073 53630957 1 ON4C7H14 AB4C7D14 32.67 3.6 -7.35 0.54 0
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146074 53631293 1 N2F3C9H17 A2B3C9D17 -170.53 4.26 -8.9 1.03 0
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146075 53631472 4 NOC3H4 ABC3D4 -154.13 6.85 -10.03 -0.86 0
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146076 53631757 2 N2C4H5 A2B4C5 74.19 5.74 -8.77 0.11 0
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146077 53632542 1 NO8C50H69 AB8C50D69 -372.89 1.89 -8.88 -0.43 0
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146078 53632651 1 O3C13H20 A3B13C20 -130.48 3.52 -10.03 0.6 0
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146079 53632652 1 NSO3C29H31 ABC3D29E31 -50.94 4.14 -9.01 -0.43 5
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146080 53632973 1 O6N11C67H88 A6B11C67D88 45.13 7.53 0.0 0.0 0
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146081 53633113 4 OH8C10 AB8C10 1.49 3.21 -8.9 -0.75 0
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146082 53633467 1 N2O3C27H34 A2B3C27D34 -91.48 5.9 -8.77 0.38 0
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146083 53633634 1 PN6O17C110H171 AB6C17D110E171 -622.75 4.1 -8.72 -0.87 0
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146084 53633635 1 N3O3C23H29 A3B3C23D29 16.95 3.86 -8.98 -0.83 0
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146085 53633656 1 NOH13C14 ABC13D14 12.96 5.18 -9.37 -0.97 0
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146086 53633708 2 OC7H10 AB7C10 -64.96 2.25 -9.64 0.78 0
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146087 53633709 1 O4C17H24 A4B17C24 -159.88 6.06 -9.43 -0.16 0
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146088 53633710 2 NOSC2H3 ABCD2E3 -25.58 4.32 -9.17 -0.73 1
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146089 53633711 1 NPO5C16H27 ABC5D16E27 -215.11 10.28 0.0 0.0 0
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146090 53634185 2 NO3C12H20 AB3C12D20 -320.57 4.56 -9.36 0.02 0
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146091 53634283 1 ClNO4H14C15 ABC4D14E15 -107.5 1.98 -8.69 -1.06 0
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146092 53634356 1 ClNO2S2H8C11 ABC2D2E8F11 23.52 4.58 -9.14 -1.31 0
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146093 53634914 1 OF3C25H43 AB3C25D43 -278.56 3.41 -9.84 1.01 0
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146094 53634915 1 OS2N6C17H30 AB2C6D17E30 -20.31 4.68 -8.68 -0.74 0
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146095 53635062 1 SN2Cl3O6H17C18 AB2C3D6E17F18 -189.58 4.21 -8.86 -0.6 0
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146096 53635078 1 SN2O4F6C13H14 AB2C4D6E13F14 -471.85 4.27 -9.82 -0.77 0
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146097 53635128 1 NO4C18H21 AB4C18D21 -117.69 5.08 -8.44 -0.32 0
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146098 53635129 1 NO2H15C18 AB2C15D18 12.17 4.15 -8.44 -1.12 0
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146099 53635306 1 P2C3H8O9 A2B3C8D9 -529.51 4.52 -11.6 -0.79 0
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146100 53635497 1 ON4H18C25 AB4C18D25 138.07 7.11 -9.72 -0.75 0
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146101 53635498 1 OC9H18 AB9C18 -68.38 2.06 -9.58 1.36 0
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146102 53635547 1 N3O3C31H47 A3B3C31D47 -150.03 2.83 -8.28 0.19 0
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146103 53635570 1 SN2O2F6H18C24 AB2C2D6E18F24 -257.29 7.76 -9.52 -0.93 0
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146104 53635666 1 NO3C8H13 AB3C8D13 -133.48 3.1 -11.03 0.34 0
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146105 53635974 1 SiN4O5C35H42 AB4C5D35E42 -150.58 7.79 -9.12 -0.34 0
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146106 53636118 1 NO4C16H23 AB4C16D23 -181.05 2.89 -8.86 0.13 0
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146107 53636477 1 ClSO2N5C18H20 ABC2D5E18F20 0.63 4.98 -8.22 -1.63 0
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146108 53636739 1 SO4N5H25C26 AB4C5D25E26 -6.79 11.69 -8.6 -1.44 0
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146109 53637177 1 ClNO3C15H18 ABC3D15E18 -92.31 4.0 -8.06 -0.1 0
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146110 53637178 1 N4O5C16H18 A4B5C16D18 -53.89 5.45 -10.47 -1.58 0
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146111 53637791 2 OF2H6C7 AB2C6D7 -220.36 1.24 -9.15 -1.12 0
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146112 53637955 1 SN3O3C6H7 AB3C3D6E7 -30.55 2.56 -9.94 -1.56 0
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146113 53637986 1 O9C14H22 A9B14C22 -347.66 5.16 -10.45 -0.95 1
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146114 53637987 1 N3O5C18H24 A3B5C18D24 -155.24 8.16 0.0 0.0 0
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146115 53637988 1 N2O3C23H32 A2B3C23D32 -71.04 5.8 -8.91 -0.24 0
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146116 53637995 3 NO2C4H5 AB2C4D5 -87.08 5.75 -10.51 -2.32 0
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146117 53638173 1 ClSN2H5C7 ABC2D5E7 59.23 4.17 -8.91 -0.91 0
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146118 53638293 2 OC11H14 AB11C14 -76.67 2.92 -9.24 0.07 0
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146119 53638353 1 NCl2H15C17 AB2C15D17 33.0 3.69 -8.3 -0.28 0
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146120 53638354 1 N3O8C33H39 A3B8C33D39 -255.44 9.61 -8.73 -1.58 0
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146121 53638355 1 NO2C23H31 AB2C23D31 -54.26 3.64 -8.64 -0.43 0
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146122 53638880 1 BrNH8C10 ABC8D10 44.46 3.09 -9.28 -0.91 0
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146123 53638956 1 NO9C23H27 AB9C23D27 -322.11 6.78 -9.74 -1.17 0
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146124 53639107 1 ON2C25H48 AB2C25D48 -114.51 3.15 -8.95 1.21 0
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146125 53639780 1 O6C13H14 A6B13C14 -211.22 7.75 -9.44 -1.21 0
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146126 53640065 1 SO2N3C15H21 AB2C3D15E21 -42.22 4.21 -9.76 -1.44 0
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146127 53640172 1 ON3C17H17 AB3C17D17 47.56 3.65 -8.99 -0.7 0
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146128 53640564 1 O2C19H26 A2B19C26 28.99 3.11 -8.63 -0.66 0
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146129 53640829 1 SN3O5C26H33 AB3C5D26E33 -166.18 3.24 -8.64 -1.07 0
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146130 53640830 2 NO2C10H12 AB2C10D12 -119.79 2.04 -8.7 -0.46 0
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146131 53641175 1 Cl3N3O5H16C22 A3B3C5D16E22 -55.9 9.35 -9.92 -1.26 1
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146132 53641516 1 SO3N6H11C12 AB3C6D11E12 85.12 1.68 0.0 0.0 0
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146133 53641705 1 SO2N4C13H18 AB2C4D13E18 -37.62 1.47 -8.99 -0.51 0
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146134 53641829 1 FO2C29H41 AB2C29D41 -149.08 3.35 -9.2 -0.66 0
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146135 53641877 1 N3O3C17H19 A3B3C17D19 -63.47 6.98 -8.95 -0.54 0
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146136 53642364 1 SO3C29H34 AB3C29D34 -78.4 4.77 -8.82 -0.44 0
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146137 53642365 1 NOSiH6C7 ABCD6E7 43.15 2.44 0.0 0.0 0
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146138 53642445 1 ClO3H9C16 AB3C9D16 -30.11 1.94 -9.84 -1.53 0
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146139 53642578 1 OSN2C3F3H3 ABC2D3E3F3 -27.44 4.43 -9.45 -1.62 0
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146140 53642771 1 SN2O2C7H16 AB2C2D7E16 -110.68 1.6 -8.6 0.71 0
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146141 53642947 1 SO3N4C11H12 AB3C4D11E12 -49.5 6.03 -9.31 -0.83 0
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146142 53643296 1 O3C8H12 A3B8C12 -118.68 2.3 -10.5 -0.12 0
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146143 53643479 1 BrNOSC6H14 ABCDE6F14 -46.75 3.64 -8.86 -0.35 0
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146144 53643480 4 NOC3H3 ABC3D3 -15.81 3.35 -10.37 -1.16 0
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146145 53643487 1 O3C10H18 A3B10C18 -132.78 2.06 -9.84 -0.41 0
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146146 53643517 1 ClOF2H21C23 ABC2D21E23 -93.8 2.43 -9.31 -0.49 0
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146147 53643630 1 SO9C17H30 AB9C17D30 -437.53 4.08 -10.76 0.04 0
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146148 53643631 1 NO2C34H41 AB2C34D41 -45.8 1.99 -9.24 -0.97 0
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146149 53643907 1 O2N6C29H30 A2B6C29D30 19.85 4.49 -8.8 -0.7 0
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146150 53644847 1 O3N4C23H34 A3B4C23D34 -128.32 5.78 -8.64 -0.23 0
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146151 53644865 1 N3P3O27C130H212 A3B3C27D130E212 -1306.98 12.94 -8.26 -0.89 0
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146152 53644866 1 PSO4C15H23 ABC4D15E23 -233.87 4.11 -9.46 -1.01 0
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146153 53644867 1 SN2O8C32H60 AB2C8D32E60 -387.64 5.15 -9.68 -0.56 0
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146154 53644925 1 O4N5C47H51 A4B5C47D51 -73.59 3.31 -8.86 -0.69 0
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146155 53644926 1 O5N6C47H56 A5B6C47D56 -151.44 7.52 -9.04 -0.85 0
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146156 53644927 1 O5N6C51H58 A5B6C51D58 -133.61 2.35 -8.84 -0.48 0
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146157 53644928 1 PO6C15H29 AB6C15D29 -336.59 0.39 -9.67 0.72 0
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146158 53645255 1 NSO2F3C22H26 ABC2D3E22F26 -218.6 3.73 -8.46 -0.12 0
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146159 53645352 1 O2F3C7H13 A2B3C7D13 -268.0 3.33 -9.86 1.33 0
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146160 53645361 1 SN3O5C29H31 AB3C5D29E31 -130.71 3.47 -8.93 -1.02 0
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146161 53645386 2 O3C10H12 A3B10C12 -172.1 3.86 -8.54 -0.14 0
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146162 53645863 1 ClSN3O6C26H26 ABC3D6E26F26 -175.24 5.79 -9.07 -1.19 0
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146163 53645946 1 SCl2N2H14C15 AB2C2D14E15 35.37 3.64 -8.8 -1.11 0
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146164 53646363 1 N2O3C16H22 A2B3C16D22 -129.05 2.79 -8.79 0.13 0