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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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387073 134983856 1 SF3N3O3C8H11 AB3C3D3E8F11 -206.81 2.83 0.0 0.0 0
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387074 134983857 1 SO3H22C27 AB3C22D27 -15.16 4.96 -8.88 -0.66 0
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387076 134983884 1 NOPC22H32 ABCD22E32 -78.25 3.88 -9.32 -0.1 0
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387077 134983891 1 NSO3C22H27 ABC3D22E27 -96.82 6.27 -9.4 -0.57 0
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387078 134983901 1 NO2C21H27 AB2C21D27 -51.17 3.29 -9.1 -0.66 0
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387079 134983907 1 BrClNOSC31H37 ABCDEF31G37 15.64 3.04 -8.56 -0.41 0
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387080 134983910 1 NO15C25H37 AB15C25D37 -646.82 6.91 -10.94 -0.52 0
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387081 134983916 2 NO2C9H12 AB2C9D12 -77.14 6.27 -9.28 -0.4 0
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387082 134983934 2 NO2C8H16 AB2C8D16 -203.49 0.3 -8.28 0.76 0
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387084 134983936 1 NPWO5C10H11 ABCD5E10F11 -64.12 1.27 0.0 0.0 -2
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387085 134983938 1 PTaN4Si4C18H48 ABC4D4E18F48 -306.67 14.62 -7.03 -0.26 1
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387086 134983941 1 PSiTaC8H11 ABCD8E11 -147.17 3.95 0.0 0.0 0
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387087 134983942 1 RhP2C37H42 AB2C37D42 40.34 25.83 0.0 0.0 0
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387088 134983945 1 MoNPC18H31 ABCD18E31 85.14 5.58 0.0 0.0 0
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387089 134983947 1 N4O10H40C45 A4B10C40D45 -238.0 7.85 -9.21 -0.82 0
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387090 134983948 2 N2O3C6H7 A2B3C6D7 -109.62 6.02 -9.72 -1.7 0
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387091 134983950 1 Cl3N6H17C22 A3B6C17D22 134.95 5.09 -8.76 -1.38 0
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387092 134983953 1 O5N6C12H12 A5B6C12D12 39.34 6.54 -10.25 -2.32 0
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387093 134983954 1 N5H19C21 A5B19C21 171.17 5.53 -9.18 -1.47 0
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387094 134983956 1 BrN4O4C11H13 AB4C4D11E13 -28.47 5.68 -9.74 -1.76 0
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387095 134983966 1 ON4C28H32 AB4C28D32 117.44 4.81 -8.8 0.0 0
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387096 134983967 2 NO2C9H18 AB2C9D18 -167.61 1.89 -9.67 0.19 0
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387097 134983973 2 NC5H6 AB5C6 80.33 0.16 -9.1 0.26 0
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387098 134983980 1 ClNOC16H24 ABCD16E24 -32.12 7.24 -9.25 0.04 0
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387099 134983982 2 H2N2C3O3 A2B2C3D3 21.8 3.38 -10.75 -2.52 0
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387100 134983987 1 PSN2O3C14H15 ABC2D3E14F15 -53.77 6.67 -8.99 -1.33 0
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387101 134983988 1 BrSN3O5C18H20 ABC3D5E18F20 -128.66 9.15 -9.15 -0.87 0
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387102 134984001 1 N2O6C23H24 A2B6C23D24 -163.82 3.62 -9.17 -0.32 0
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387103 134984005 2 NO2C7H8 AB2C7D8 -55.6 3.82 -10.06 -0.63 0
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387104 134984007 2 NOC6H12 ABC6D12 -41.57 4.14 -9.12 -0.34 0
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387105 134984016 1 NO10C15H23 AB10C15D23 -397.68 3.94 -11.04 -0.62 0
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387106 134984021 1 NO3C15H21 AB3C15D21 -45.27 5.18 -9.91 -0.45 0
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387107 134984029 2 NOC3H7 ABC3D7 -73.78 6.55 -9.46 0.47 0
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387108 134984032 1 N2O3C15H24 A2B3C15D24 -101.84 1.39 -8.26 0.24 0
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387109 134984036 1 NOC17H19 ABC17D19 40.72 1.08 -9.21 0.31 0
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387110 134984038 1 ClN3O4C25H26 AB3C4D25E26 -28.71 7.52 -9.61 -1.6 0
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387111 134984048 1 ON3C11H15 AB3C11D15 16.5 2.41 -8.64 -0.4 0
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387112 134984049 4 NOC3H3 ABC3D3 -63.32 3.7 -9.57 -1.46 0
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387113 134984054 1 ClSO2N4C12H15 ABC2D4E12F15 -4.51 4.66 -9.84 -1.12 0
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387114 134984058 1 O3N5C9H13 A3B5C9D13 -5.41 6.4 -9.81 -1.88 0
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387115 134984059 2 OC4N4H6 AB4C4D6 67.66 6.89 -9.89 -2.64 0
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387116 134984066 1 O2N3C11H13 A2B3C11D13 46.37 4.06 -10.26 -1.2 0
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387117 134984071 2 PF3C12H13 AB3C12D13 -437.63 17.46 -9.71 -1.03 0
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387118 134984074 1 PBr2C16H19 AB2C16D19 5.6 5.45 -8.95 -0.74 0
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387119 134984080 1 SN2O3C19H26 AB2C3D19E26 -71.69 5.85 -9.03 -0.5 0
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387120 134984089 1 NSiO3C28H41 ABC3D28E41 -150.88 1.2 -9.2 0.51 0
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387121 134984091 1 NO2C19H27 AB2C19D27 -42.67 3.64 -8.39 0.2 0
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387122 134984092 1 S2N5O6C23H29 A2B5C6D23E29 -85.41 4.3 -9.45 -1.96 0
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387123 134984093 1 NCl2H17C18 AB2C17D18 64.5 2.86 -8.96 -0.28 0
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387124 134984094 1 ClNC18H18 ABC18D18 74.84 1.46 -8.7 -0.33 0
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387125 134984098 2 NO3C12H13 AB3C12D13 -172.62 2.36 -8.74 -0.16 0
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387126 134984099 1 N2O6C27H32 A2B6C27D32 -185.55 3.82 -8.91 -0.25 0
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387127 134984100 1 FNSCl3O4C12H13 ABCD3E4F12G13 -206.75 5.14 -10.51 -1.32 0
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387128 134984101 1 FNSCl3O4C11H11 ABCD3E4F11G11 -199.87 2.77 -10.08 -1.16 0
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387129 134984102 1 FNSCl3O6C14H15 ABCD3E6F14G15 -285.66 2.33 -10.25 -1.42 0
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387130 134984103 1 ClNOS2C14H20 ABCD2E14F20 -53.6 4.26 -8.46 -0.26 0
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387132 134984109 1 N2O3C26H26 A2B3C26D26 15.22 4.31 -8.95 -0.61 0
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387133 134984116 2 NO3C10H19 AB3C10D19 -228.0 4.35 -8.86 -0.86 0
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387134 134984117 1 N2O5C12H12 A2B5C12D12 -50.73 5.01 -9.6 -1.95 0
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387135 134984121 1 IrON2Cl5C12H15 ABC2D5E12F15 60.77 4.37 0.0 0.0 0
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387136 134984127 1 N3O7C13H21 A3B7C13D21 -106.17 2.73 -10.35 -1.58 0
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387137 134984137 1 N2O5C17H28 A2B5C17D28 -155.14 3.75 -9.9 -0.72 0
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387138 134984139 1 NO3C5H5F6 AB3C5D5E6 -358.46 3.52 -11.92 -1.44 0
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387139 134984142 1 NCl2O2C4H7 AB2C2D4E7 -48.93 3.71 -11.25 -0.86 0
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387141 134984159 2 NSO3C10H16 ABC3D10E16 -211.77 10.19 -9.36 -0.59 0
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387142 134984164 1 NO7C21H31 AB7C21D31 -291.98 1.9 -9.38 -0.61 0
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387143 134984167 1 PC5H11 AB5C11 -2.88 1.26 -9.28 1.5 0
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387144 134984178 1 ClN3O3C12H14 AB3C3D12E14 -64.52 2.56 -9.36 -1.32 0
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387145 134984181 1 O4N5H9C10 A4B5C9D10 18.7 4.5 -9.97 -1.98 0
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387146 134984184 1 IN3C6H12 AB3C6D12 59.28 3.73 -9.98 -1.14 0
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387147 134984194 1 PO4C18H19 AB4C18D19 -136.0 8.84 -8.71 -0.78 1
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387148 134984195 1 PO4C18H20 AB4C18D20 -130.43 4.85 0.0 0.0 0
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387149 134984198 1 BrPH18C20 ABC18D20 54.22 5.96 -8.62 -0.11 1
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387150 134984202 1 PC24H26 AB24C26 47.18 7.99 0.0 0.0 0
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387151 134984203 1 BrNPC27H35 ABCD27E35 13.22 5.61 -8.49 -0.09 0
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387152 134984204 1 PBr2H17C19 AB2C17D19 45.24 5.36 -8.97 -0.8 0
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387153 134984207 1 BrNPC22H33 ABCD22E33 -27.24 15.0 -7.4 -0.28 1
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387154 134984210 1 PO2C16H24 AB2C16D24 -90.4 9.97 0.0 0.0 0
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387155 134984218 1 PReO2H30C37 ABC2D30E37 285.37 4.43 -7.24 -1.76 0
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387156 134984224 1 NSO2C15H19 ABC2D15E19 -40.54 6.62 -9.19 -0.41 0
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387157 134984225 1 NSO2C17H23 ABC2D17E23 -49.29 6.06 -9.45 -0.4 0
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387158 134984230 1 SN2O3C15H26 AB2C3D15E26 -109.1 6.67 -9.24 -0.52 0
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387159 134984232 1 NOPC29H36 ABCD29E36 -45.46 3.43 -9.27 -0.13 0
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387160 134984236 1 NSO3C19H23 ABC3D19E23 -82.27 4.85 -8.87 0.1 0
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387161 134984239 1 ON2C7H10 AB2C7D10 -7.99 5.84 -10.14 -0.17 0
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387162 134984243 1 ClNSiC24H34 ABCD24E34 -0.91 3.31 -8.45 0.03 0
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387163 134984255 1 SN2O3C19H26 AB2C3D19E26 -73.69 6.46 -9.36 -0.54 0
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387165 134984259 1 NSCl3O6C13H14 ABC3D6E13F14 -230.6 3.44 -10.02 -1.18 0
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387166 134984270 1 NOSC16H21 ABCD16E21 14.57 0.86 -9.39 -0.2 0
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387167 134984271 1 NSF3O4H18C21 ABC3D4E18F21 -210.36 8.94 -9.66 -0.66 0
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387168 134984272 1 NSiO4C12H21 ABC4D12E21 -122.59 3.22 -10.06 -0.54 0
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387169 134984278 1 NPO5C11H24 ABC5D11E24 -252.57 1.79 -10.38 -0.44 0
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387170 134984280 2 NOC3H6 ABC3D6 16.55 0.46 -9.1 -0.9 0
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387171 134984281 1 NO3C14H19 AB3C14D19 -65.6 3.93 -9.17 -0.85 0
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387172 134984284 1 NO6C9H9 AB6C9D9 -128.02 6.93 -10.47 -1.38 0
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387173 134984288 1 ClNO4C6H10 ABC4D6E10 -120.06 4.82 -11.11 -0.76 0
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387174 134984298 2 NOC11H23 ABC11D23 -152.95 3.85 -9.23 0.59 0
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387175 134984305 1 ON2Si2C24H38 AB2C2D24E38 -51.93 3.9 -7.74 0.5 0
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387176 134984310 1 NO7C19H27 AB7C19D27 -278.03 6.07 -9.83 -0.66 0
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387177 134984311 1 NO7C20H29 AB7C20D29 -287.53 1.86 -9.55 -0.63 0