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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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396681 135029027 1 NSO2C23H31 ABC2D23E31 -22.8 4.16 -8.37 -0.11 0
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396682 135029028 1 SF3O5H15C25 AB3C5D15E25 -258.23 2.4 -9.0 -1.65 0
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396683 135029029 1 NO2H15C25 AB2C15D25 37.33 3.73 -9.09 -0.78 0
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396684 135029030 1 NBr2O2H21C29 AB2C2D21E29 41.97 3.87 -9.02 -0.76 2
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396686 135029033 1 NO5H41C44 AB5C41D44 -74.13 4.28 -8.06 -0.06 0
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396687 135029034 2 OPC13H18 ABC13D18 -106.16 0.68 -8.04 0.42 0
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396688 135029035 2 O3H22C25 A3B22C25 155.7 0.73 -9.6 -0.24 0
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396689 135029036 1 O3H18C22 A3B18C22 31.53 2.76 -10.03 -1.11 0
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396690 135029037 1 O3C22H22 A3B22C22 -16.72 2.14 -9.65 -0.13 0
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396691 135029039 1 O5H36C44 A5B36C44 209.94 13.14 -7.13 -2.59 0
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396692 135029040 2 O2H17C22 A2B17C22 291.22 8.58 -8.26 -1.11 0
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396693 135029041 4 C5H8 A5B8 -44.34 0.42 -8.72 0.74 0
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396694 135029042 1 NC6H9 AB6C9 68.24 1.68 -9.27 1.22 0
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396695 135029043 1 NOSiC19H27 ABCD19E27 -43.42 1.96 -9.17 0.34 0
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396696 135029044 1 NOSiC17H23 ABCD17E23 -32.54 2.33 -9.19 0.32 0
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396698 135029046 1 O3C17H25 A3B17C25 -109.09 4.94 0.0 0.0 0
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396700 135029048 1 O3C17H28 A3B17C28 -145.37 1.54 -9.7 0.65 0
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396701 135029049 1 NO2C23H29 AB2C23D29 -52.45 4.41 -8.06 0.14 0
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396704 135029053 1 N2C33H34 A2B33C34 75.38 4.83 -8.03 0.25 0
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396705 135029054 1 O3H10C18 A3B10C18 38.28 5.21 -9.57 -1.24 0
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396706 135029055 3 OH4C6 AB4C6 7.17 5.52 -9.23 -1.11 0
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396707 135029057 2 O2H6C7 A2B6C7 -84.6 2.38 -9.88 -1.04 0
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396708 135029058 2 OSH5C7 ABC5D7 -3.59 3.97 -9.07 -1.23 0
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396709 135029059 1 NF2H23C24 AB2C23D24 -44.94 4.61 -9.43 -0.37 0
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396710 135029060 1 NF3O3H16C19 AB3C3D16E19 -240.84 1.68 -9.26 -1.21 0
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396711 135029061 1 NO2C21H23 AB2C21D23 -57.74 3.94 -8.85 -0.76 0
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396712 135029062 1 NC21H21 AB21C21 67.42 2.5 -9.36 -0.23 0
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396713 135029063 1 NH16C21 AB16C21 138.05 2.09 0.0 0.0 0
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396714 135029064 1 N2O4C7H14 A2B4C7D14 -162.72 3.88 -9.54 0.48 0
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396715 135029071 1 NO2H21C27 AB2C21D27 89.37 5.73 -9.45 -1.3 0
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396716 135029073 1 SN2O2H20C23 AB2C2D20E23 20.67 5.19 -8.86 -0.6 0
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396717 135029074 1 SN2O3H20C23 AB2C3D20E23 -10.47 6.13 -8.51 -0.62 0
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396718 135029076 1 ClSN2O2H17C22 ABC2D2E17F22 20.32 3.7 -9.01 -0.74 0
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396719 135029078 1 FSN2O2H17C22 ABC2D2E17F22 -16.01 5.85 -9.11 -0.66 0
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396720 135029081 1 SN2O2H22C24 AB2C2D22E24 19.1 4.41 -9.16 -0.6 0
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396721 135029084 1 SN2O2H22C24 AB2C2D22E24 16.49 3.73 -8.89 -0.62 0
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396722 135029085 1 ClSN2O2H17C22 ABC2D2E17F22 20.46 6.49 -9.04 -0.75 0
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396723 135029086 1 BrSN2O2H17C22 ABC2D2E17F22 32.57 6.54 -9.05 -0.76 -1
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396724 135029090 1 NH14C20 AB14C20 125.51 2.47 0.0 0.0 0
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396725 135029094 1 ClNS2O4H10C17 ABC2D4E10F17 -88.56 2.34 -9.43 -1.98 0
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396726 135029095 1 NSiO4C21H35 ABC4D21E35 -231.03 2.21 -8.83 0.19 0
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396727 135029097 2 OH6C8 AB6C8 -8.88 2.89 -9.92 -0.89 0
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396728 135029098 1 O5H16C18 A5B16C18 -172.1 1.54 -8.42 -1.16 0
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396729 135029099 9 C5H6 A5B6 32.0 3.22 -7.95 -0.1 0
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396730 135029102 1 N2C21H22 A2B21C22 144.48 1.56 -8.34 -0.16 0
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396731 135029104 1 N3O4C21H25 A3B4C21D25 -56.1 3.54 -8.98 -0.37 0
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396733 135029110 1 BrOC19H21 ABC19D21 -33.81 4.17 -8.94 -1.0 0
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396734 135029111 1 BrC19H21 AB19C21 26.44 2.09 -8.79 -0.97 -1
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396735 135029112 1 NC4O4H8 AB4C4D8 -164.72 2.24 0.0 0.0 0
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396736 135029113 1 NO2C19H19 AB2C19D19 -3.62 3.86 -8.62 -0.16 0
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396737 135029116 1 NOC18H21 ABC18D21 -5.53 1.56 -8.78 0.12 0
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396738 135029117 1 NOC19H23 ABC19D23 -17.82 2.47 -9.04 0.2 0
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396739 135029118 1 NO2C16H21 AB2C16D21 -82.36 2.07 -8.22 0.46 0
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396740 135029119 2 NC12H12 AB12C12 104.81 0.81 -8.03 0.27 0
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396741 135029120 1 NOC18H19 ABC18D19 10.95 2.77 -8.4 0.06 1
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396742 135029121 1 N2C23H29 A2B23C29 41.42 1.85 0.0 0.0 0
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396743 135029126 1 ClO3H11C16 AB3C11D16 -57.32 5.57 -9.62 -1.34 0
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396744 135029128 1 SiO3C16H18 AB3C16D18 -96.31 2.78 -9.81 -0.66 0
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396745 135029139 1 SH22C27 AB22C27 99.03 1.76 -8.74 -0.27 0
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396746 135029140 1 NO2F3H16C19 AB2C3D16E19 -200.28 6.73 -9.49 -1.24 0
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396747 135029141 1 FNO2H16C18 ABC2D16E18 -84.52 4.38 -9.0 -0.95 0
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396748 135029142 1 NC21H21 AB21C21 74.88 2.13 -9.28 -0.07 0
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396749 135029143 1 NH16C21 AB16C21 142.23 4.24 0.0 0.0 0
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396750 135029144 1 NC21H21 AB21C21 65.02 2.79 -9.26 -0.27 0
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396751 135029146 1 O8C29H30 A8B29C30 -280.99 5.46 -9.55 -0.96 0
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396752 135029147 1 F3O3C16H19 A3B3C16D19 -284.53 3.51 -9.67 -0.55 0
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396753 135029148 3 NOC4H5 ABC4D5 -74.14 3.01 -9.11 -0.97 0
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396754 135029151 1 ClS2N3H14C18 AB2C3D14E18 107.84 5.41 -8.76 -1.22 0
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396755 135029152 1 ClOSH7C11 ABCD7E11 3.12 3.62 -9.17 -1.33 0
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396756 135029153 1 O4C19H20 A4B19C20 -121.99 4.45 -8.28 -0.47 0
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396757 135029154 1 ClN4O4H9C19 AB4C4D9E19 111.23 5.91 -10.19 -1.96 -3
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396758 135029156 1 PN2C9O11H12 AB2C9D11E12 -394.85 3.55 0.0 0.0 0
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396759 135029157 1 PN2C9O11H15 AB2C9D11E15 -556.95 3.65 -10.25 -0.75 1
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396760 135029158 1 O2C5H9 A2B5C9 -80.58 1.49 0.0 0.0 0
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396761 135029160 1 N2O2H16C21 A2B2C16D21 18.13 2.43 -9.14 -0.89 0
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396762 135029161 2 O2C5H9 A2B5C9 -187.3 5.15 -9.91 0.94 0
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396763 135029163 1 NO3H13C19 AB3C13D19 -4.55 7.07 -8.84 -1.1 0
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396764 135029164 1 ClON2H9C15 ABC2D9E15 22.49 4.69 -9.11 -1.29 0
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396765 135029165 1 NOC8H13 ABC8D13 -38.8 2.55 -9.41 0.54 1
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396766 135029166 1 O6H23C28 A6B23C28 -161.91 1.72 0.0 0.0 0
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396767 135029170 1 N2O2H12C15 A2B2C12D15 12.24 4.75 -9.06 -0.81 0
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396768 135029171 1 OH12C16 AB12C16 107.2 4.46 -9.04 -0.77 0
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396769 135029172 1 O5C22H28 A5B22C28 -195.98 4.87 -9.84 -0.67 0
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396770 135029173 1 NO6C15H17 AB6C15D17 -151.12 4.06 -9.8 -0.89 0
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396771 135029176 6 H6C7 A6B7 91.7 0.82 -8.16 -0.66 0
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396772 135029179 1 NO3H19C29 AB3C19D29 -6.36 2.53 -8.8 -0.83 0
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396773 135029180 1 NO4H19C29 AB4C19D29 -38.91 3.18 -8.59 -0.76 0
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396774 135029181 1 NSO3H15C26 ABC3D15E26 4.34 1.72 -8.75 -0.91 0
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396775 135029182 1 SiO2C46H46 AB2C46D46 -31.59 1.28 -8.23 -1.1 0
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396776 135029183 6 H9C13 A9B13 287.13 0.95 -8.31 -0.95 0
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396777 135029186 1 BrSC8H11 ABC8D11 0.27 1.51 -9.08 -0.3 0
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396778 135029192 1 SN3O4C25H31 AB3C4D25E31 -108.47 3.38 -7.94 -0.59 0
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396779 135029205 1 NO3C22H33 AB3C22D33 -137.03 4.0 -9.58 -0.07 0
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396780 135029207 1 O4H14C17 A4B14C17 -89.97 6.37 -9.29 -1.07 0
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396781 135029211 2 OSH6C9 ABC6D9 7.72 3.99 -8.62 -1.23 0
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396782 135029213 1 BrF2O3H7C11 AB2C3D7E11 -170.23 0.48 -9.78 -1.37 0
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396783 135029214 1 BrSF2O4C13H13 ABC2D4E13F13 -251.66 1.81 -9.42 -0.86 0
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396784 135029218 1 OSF3H9C16 ABC3D9E16 -132.22 3.94 -9.18 -1.26 0
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396785 135029219 1 ON2H12C18 AB2C12D18 50.95 1.56 -8.68 -1.04 0
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396786 135029222 1 FO3H15C18 AB3C15D18 -106.21 2.1 -9.3 -0.65 0