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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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217074 85087206 1 OCl2N3H9C16 AB2C3D9E16 57.62 2.73 -9.04 -1.58 2
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217075 85087207 1 FeO2C18H26 AB2C18D26 -29.08 11.48 -6.71 -1.04 0
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217076 85087210 1 N2O8C13H18 A2B8C13D18 -230.25 4.87 -10.5 -1.69 0
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217077 85087211 1 PF3O3C14H26 AB3C3D14E26 -401.66 3.75 -9.69 0.42 0
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217078 85087212 6 OC3H3 AB3C3 -203.82 4.97 -8.73 -0.36 0
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217079 85087213 1 N2O5C17H18 A2B5C17D18 -70.32 7.34 -9.31 -1.64 0
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217080 85087214 1 SN2O6C13H18 AB2C6D13E18 -203.25 5.65 -8.68 -0.76 0
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217081 85087215 1 SN2O4H14C16 AB2C4D14E16 -59.65 3.84 -9.31 -1.52 0
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217082 85087216 1 SN2O4H14C16 AB2C4D14E16 -8.51 8.42 -9.11 -1.43 0
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217083 85087220 1 SO2N4C16H18 AB2C4D16E18 -30.92 7.33 -9.34 -0.96 0
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217084 85087222 2 H9C13 A9B13 232.1 0.19 -8.53 -0.74 0
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217085 85087224 3 OC7H10 AB7C10 -137.66 4.06 -9.34 -0.35 0
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217086 85087225 1 O4C19H38 A4B19C38 -264.9 1.54 -10.29 0.78 0
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217087 85087226 2 OC11H17 AB11C17 -42.07 7.51 -8.69 -0.7 0
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217088 85087227 2 OC11H17 AB11C17 -73.02 3.93 -9.44 0.3 0
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217089 85087229 2 ClN2H6C8 AB2C6D8 104.72 4.29 -8.78 -1.28 0
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217090 85087230 1 BrSO2C14H19 ABC2D14E19 -57.64 4.93 -9.39 -0.22 0
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217091 85087231 1 NO8C14H21 AB8C14D21 -380.33 1.93 -9.77 0.28 0
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217092 85087233 1 FN5H18C19 AB5C18D19 78.67 4.29 -9.07 -0.74 0
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217093 85087237 1 NSO2C19H25 ABC2D19E25 -35.11 3.21 -8.6 -0.19 0
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217094 85087238 1 NOSC20H29 ABCD20E29 -23.09 2.29 -8.5 0.2 0
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217095 85087247 1 O5C19H24 A5B19C24 -189.08 2.54 -9.91 -0.36 0
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217096 85087250 1 SO4C18H20 AB4C18D20 -133.97 3.95 -9.43 -0.11 0
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217097 85087251 4 OC5H7 AB5C7 -191.78 7.9 -10.32 -0.2 0
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217098 85087252 4 OC5H7 AB5C7 -163.51 4.05 -9.28 -0.1 0
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217099 85087254 4 OC5H7 AB5C7 -168.34 7.51 -9.49 0.94 0
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217100 85087258 1 FO2C21H29 AB2C21D29 -154.42 2.52 -8.65 0.28 0
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217101 85087259 1 O3C21H32 A3B21C32 -137.76 5.51 -9.78 -0.43 0
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217102 85087260 1 O3C21H32 A3B21C32 -136.4 2.5 -8.99 0.03 0
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217103 85087261 2 OSC9H10 ABC9D10 -37.39 3.94 -8.42 -0.63 0
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217104 85087263 1 ON2S2C17H20 AB2C2D17E20 8.37 2.34 -9.03 -0.35 0
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217105 85087264 1 SiO3C19H28 AB3C19D28 -124.82 5.19 -9.2 0.37 0
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217106 85087265 2 OC11H18 AB11C18 -110.76 4.05 -8.94 -0.01 0
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217107 85087268 1 PN5O6C10H16 AB5C6D10E16 -249.97 9.17 -9.82 -1.2 0
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217108 85087269 1 N3O4H15C18 A3B4C15D18 -16.44 8.71 -9.76 -1.61 0
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217109 85087270 1 N3O5C16H19 A3B5C16D19 -160.74 4.78 -8.68 -0.18 1
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217110 85087271 1 N3O3H14C19 A3B3C14D19 -23.27 5.82 0.0 0.0 0
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217111 85087273 1 NO2C22H23 AB2C22D23 14.32 2.66 -9.49 -0.74 0
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217112 85087275 1 NOC23H27 ABC23D27 11.96 2.19 -7.63 0.23 0
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217113 85087277 1 ClNO6C14H20 ABC6D14E20 -267.53 4.58 -10.41 -0.18 0
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217114 85087280 1 Cl2O2N3H9C15 A2B2C3D9E15 29.36 5.78 -9.03 -1.85 0
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217115 85087281 1 PN2O8C11H17 AB2C8D11E17 -409.01 5.63 -10.31 -0.65 0
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217116 85087282 1 PF2O7C11H21 AB2C7D11E21 -489.86 1.02 -10.42 0.55 0
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217117 85087283 1 O10C13H18 A10B13C18 -438.48 5.69 -10.88 0.18 0
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217118 85087285 1 FON3H16C20 ABC3D16E20 20.24 9.63 -9.3 -1.26 0
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217119 85087286 1 SN4O4C14H14 AB4C4D14E14 -66.28 6.87 -8.88 -1.2 0
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217120 85087288 1 N2O3H18C20 A2B3C18D20 -32.82 9.04 -9.28 -0.77 0
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217121 85087289 1 O5C19H26 A5B19C26 -187.97 2.04 -9.15 -0.3 0
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217122 85087290 1 O5C19H26 A5B19C26 -206.4 3.83 -8.64 -0.23 0
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217123 85087291 1 N2O2C21H22 A2B2C21D22 -35.75 1.95 -8.98 -0.09 0
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217124 85087292 2 O2C10H15 A2B10C15 -187.58 4.94 -10.21 -0.91 0
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217125 85087293 2 O2C10H15 A2B10C15 -158.34 7.76 -9.27 -0.94 0
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217126 85087295 1 ON2C22H26 AB2C22D26 1.62 1.33 -8.45 -0.52 0
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217127 85087296 1 O3C21H34 A3B21C34 -184.7 1.0 -9.44 0.8 0
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217128 85087299 1 ClO2N4C16H19 AB2C4D16E19 -36.8 4.32 -9.25 -0.67 0
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217129 85087300 1 BrO6C12H15 AB6C12D15 -268.5 5.45 -10.73 -0.66 0
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217130 85087301 1 OCl2N4C15H20 AB2C4D15E20 -25.86 5.06 -8.64 -0.75 0
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217131 85087302 1 N3O3H17C19 A3B3C17D19 -12.58 3.48 -8.89 -0.97 0
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217132 85087303 1 O2N5H17C18 A2B5C17D18 109.29 10.93 -8.88 -1.06 1
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217133 85087304 1 O3N5C16H24 A3B5C16D24 -95.37 1.88 0.0 0.0 0
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217134 85087305 1 ON5C19H21 AB5C19D21 88.97 3.2 -9.13 -1.61 0
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217135 85087307 1 NO4C19H29 AB4C19D29 -197.06 1.96 -8.74 0.18 0
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217136 85087310 1 OSN5C16H25 ABC5D16E25 6.24 1.65 -8.73 -0.75 0
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217137 85087311 1 NO3C20H33 AB3C20D33 -157.67 3.56 -8.95 0.41 0
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217138 85087312 1 NOC23H29 ABC23D29 -33.14 2.09 -8.38 0.21 0
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217139 85087313 1 ClO2F3N3C13H13 AB2C3D3E13F13 -202.31 7.92 -9.7 -0.95 0
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217140 85087316 1 ClOSN3C16H18 ABCD3E16F18 30.6 4.92 -8.69 -1.25 0
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217141 85087317 1 Br2N2C11H16 A2B2C11D16 -4.39 2.69 -8.82 -0.75 0
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217142 85087318 1 BrNOC17H22 ABCD17E22 -36.4 2.83 -9.61 -0.36 0
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217143 85087319 1 O2F3N4C15H17 A2B3C4D15E17 -212.42 5.25 -9.83 -0.28 0
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217144 85087321 1 ISiC13H25 ABC13D25 -33.36 2.6 -9.09 -0.4 0
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217145 85087323 1 O3N4H16C18 A3B4C16D18 21.25 12.28 -9.0 -1.98 0
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217146 85087324 1 N2O3C20H20 A2B3C20D20 -53.47 5.17 -8.62 -0.51 0
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217147 85087326 1 FSO3C18H21 ABC3D18E21 -177.38 6.57 -9.98 -0.88 0
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217148 85087327 1 O5C19H28 A5B19C28 -239.77 5.25 -9.85 -0.35 0